Sulstice
1 min readJul 5, 2020

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Hmmm, I’ll have to rebuttal here. If I implemented your change I would go from the original smiles that it produces.

NC([*:1])C(NC([*:2])C(NCC(O)=O)=O)=O

to

NC([*:1])C(NC([*:2])C(NCC(O)=O))=O)=

What did you get when you ran the code? Maybe perhaps I made a mistake in the example?

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Sulstice
Sulstice

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