Post #1978202
2026-03-21 10:36 UTC
To make it more fun, add more possible matches
>>> pat = Chem.MolFromSmarts("[$([CX4](-*)(-*)-[CX4](-*)(-*)-[CX4](-*)(-*)-[CX4](-*)(-*)-[CX4](-*)-*)]")
>>> print(len(mol.GetSubstructMatches(pat, maxMatches=25000)))
46
>>> print(len(mol.GetSubstructMatches(pat, maxMatches=30000)))
50
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