The CIP system is bad and you should use it with peril. ChemAxon has some bad bugs in their implementation where the labels change on atom ordering! RDKit uses an algorithm for CCG that can not fully replicate correct labels.
For a comparison of more tools, see page 219 (labelled as 194) - http://www.ebi.ac.uk/sites/ebi.ac.uk/files/shared/documents/phdtheses/jmay-thesis-corrected.pdf
------------------------------------------------------------------------------
_______________________________________________ Rdkit-discuss mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/rdkit-discuss

