Dear all,
I have a molecule in Smiles O=C(C1=C2C(C=CC=C23)=CC=C1)N([H])C3=O (Copied from Chemdraw) then, using online converter to get Smarts (https://pubchem.ncbi.nlm.nih.gov/edit2/index.html) [#8]=[#6]-3-c1c2c(ccc1)cccc2-[#6](-[#7]-3-[#1])=[#8] But I got 'false' with following code s=Chem.MolFromSmarts('[#8]=[#6]-3-c1c2c(ccc1)cccc2-[#6](-[#7]-3-[#1])=[#8]') x=Chem.MolFromSmiles('O=C3C1=C2C(=CC=C1)C=CC=C2C(N3[H])=O') x.HasSubstructMatch(s) Then I tried this: s=Chem.MolFromSmarts('[#8]=[#6]-3-c1c2c(ccc1)cccc2-[#6](-[#7]-3-[#1])=[#8]') s [cid:2485184c-74e9-4830-992a-bd0bedff04a3] Any suggestion? Thanks. Best regards, Xiaobo Li
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