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got "C1=CC=CC=[C]1 |^1:5|" which is wrong - canonical SMILES should not contains " |...|" part.
The " |...|" part is extended features provided by Extended SMILES.
Canonical SMILE should not contains extended data(" |...|").
The text was updated successfully, but these errors were encountered:
Steps to Reproduce
Run next python code:
got "C1=CC=CC=[C]1 |^1:5|" which is wrong - canonical SMILES should not contains " |...|" part.
The " |...|" part is extended features provided by Extended SMILES.
Canonical SMILE should not contains extended data(" |...|").
The text was updated successfully, but these errors were encountered: