Oct 25 2012 1:30PM |
Normal |
Acknowledged |
It seems like there is a problem with the smiles: O=C2N(c1ncnc1C(=O)N2C)CC(C)C
Neither "MOE" or "Symyx draw" recognize it.
Best, Thank you for your feedback, this is a known problem. We are currently in the process of regenerating the SMILES strings for all 28 M structures which we hope will address the issues that you are experiencing. In the meantime you could use the InChI string which should always be correct. It also seems that the SMILES string can be processed by ChemSketch. |