diff --git a/src/main/java/com/actelion/research/chem/SmilesAtomParser.java b/src/main/java/com/actelion/research/chem/SmilesAtomParser.java index 032c73f0..ca5b5dac 100644 --- a/src/main/java/com/actelion/research/chem/SmilesAtomParser.java +++ b/src/main/java/com/actelion/research/chem/SmilesAtomParser.java @@ -23,6 +23,7 @@ public SmilesAtomParser(SmilesParser parser, int mode) { mParentParser = parser; mMode = mode; mAllowCactvs = (mode & SmilesParser.MODE_NO_CACTUS_SYNTAX) == 0; + atomicNo = -1; charge = 0; mapNo = 0; abnormalValence = -1;