Hello everybody:

I am working on a script which removes the cores based on a given pattern
and I am wondering how I can accomplish that if two matches are present in
the parent molecule two outputs are generated with each matching pattern
deleted once.

ReplaceSubstructs seems to have an option like this: replaceAll=False

I tried to use replaceSubstructs but using H as smiles string for
replacement threw me an error.
C worked.

I have attached a notebook for you to better understand what I mean.

Any suggestion you might have would be highly appreciated.



Attachment: test.ipynb
Description: Binary data

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