On Fri, Jan 22, 2021 at 9:01 AM Ivan Tubert-Brohman <
ivan.tubert-broh...@schrodinger.com> wrote:
> I think there was some confusion between left and right in the original
> message, but RDKit prefers the representation that preserves the octet at
> the expense of having more formal charges:
>
I think there was some confusion between left and right in the original
message, but RDKit prefers the representation that preserves the octet at
the expense of having more formal charges:
In [9]: mol = Chem.MolFromSmiles('O=I(=O)([O-])')
In [10]: Chem.MolToSmiles(mol)
Out[10]:
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