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SMILES: c1cnc(cc1CO)Br Canonical SMILES: OCc1ccnc(c1)Br InChI: InChI=1S/C6H6BrNO/c7-6-3-5(4-9)1-2-8-6/h1-3,9H,4H2 InChIKey: IQNUGAFIKDRYRP-UHFFFAOYSA-N
CBID:19116 http://www.chembase.cn/molecule-19116.html