ni-Tabar
> *Sent:* Tuesday, September 24, 2019 6:55 PM
> *To:* RDKit Discuss
> *Subject:* [Rdkit-discuss] Problems with SMILES using MolFromSmiles
>
>
>
> Hello,
>
>
>
> I have noticed that RDKit have some problems with some SMILES when trying
> to use MolF
, September 24, 2019 6:55 PM
To: RDKit Discuss
Subject: [Rdkit-discuss] Problems with SMILES using MolFromSmiles
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
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(
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