Hello all:
I obtained this smiles string:
c1ccc(cc1)-c1nnc(n1)-c1ccccc1
by removing atoms from the n1 in parentheses.
Using:
mol = Chem.MolFromSmiles("c1ccc(cc1)-c1nnc(n1)-c1ccccc1")
throws an error: Can't kekulize mol.
Using
mol = Chem.MolFromSmiles("c1ccc(cc1)-c1nncn1-c1ccccc1")
works fine.
Is there any workaround?
Any input is highly appreciated.
Cheers,
Markus
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