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@dalke@toots.nu

Post #1978209

2026-04-15 14:32 UTC

@molecule With my modifications to the RDKit SMARTS matcher: >>> mol = Chem.MolFromSmiles("FS(F)(F)(F)(F)N(S(F)(F)(F)(F)(F))S(F)(F)(F)(F)(F)") >>> pat = Chem.MolFromSmarts("[$([d6](*)(*)(*)(*)(*)*)]") >>> print(len(mol.GetSubstructMatches(pat))) 2 >>> pat = Chem.MolFromSmarts("[d6#-6]") >>> print(len(mol.GetSubstructMatches(pat))) 3 >>>

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