Hello, I have noticed that RDKit have some problems with some SMILES when trying to use MolFromSmiles. With further attention, I have noticed that all of these SMILES include nitrogen atoms. Some examples include:
[NH3]CCC(=O)[O] NC(=[NH2])C(=O)[O] NC(=[NH2])[CH2].C(=O)=O CNC(=[NH2])C(=O)[O] CNC(=[NH2])C(=O)[O] C[C@@H](C[NH3])C(=O)[O] I was wondering if there is a way to fix this issue and study those molecules. Thanks! Best, Navid
_______________________________________________ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
