from rdkit import Chem
smi = 'CCC/C=C/CC'
m = Chem.MolFromSmiles(smi)
Chem.MolToSmiles(m, isomericSmiles=False)
‘CCC=CCCC’
smi = 'CCCC[C@@H](I)C'
m = Chemrdkit&python | 通过isomericSmiles消除smiles中的立体结构信息
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