Hi,
The problem is connected with the lack of explicit Hs in the aromatic
version of the SMILES. The general rule is that if an aromatic heteroatom
needs to have an H on it in order for the valence to make sense, then you
need to include that in the SMILES. This does not hold when you express the
Dear all,
There are several questions I want to ask for help.
1. When I read a molecular by MolFromSmiles and MolFromSmarts,it throw an
exception，As shown below , the molecule “n1c(=O)nc(=O)cc1” can’t be read by
MolFromSmiles while MolFromSmarts work well.So what the difference between
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