Hi all, I just found an unexpected behaviour in the current RDKit. My input is a perfectly valid smiles with explicitly specified double bond configuration. Actually, similar smiles were obtained using the RDKit.
The problem is, when submitting the smiles string containing an \n to MolFromSmiles only the part before the \n is used and the rest is disregarded. The \ needs to be quoted to a \\ in order to work correct. Is this a desired / expected behaviour? Best, Michael [image: Inline image 2]
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