smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(CNC(N)=O)cc1 ZINC000076936685 138250468 /nfs/dbraw/zinc/25/04/68/138250468.db2.gz RNDULTWGAZMGOA-UHFFFAOYSA-N -1 1 344.396 1.836 20 30 EDEDMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)Nc1ccc(CC#N)cc1 ZINC000103940157 237054610 /nfs/dbraw/zinc/05/46/10/237054610.db2.gz YEHUBBVJCQCUCX-UHFFFAOYSA-N -1 1 335.367 1.887 20 30 EDEDMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc(C#N)cn2)o1 ZINC000110287284 220028125 /nfs/dbraw/zinc/02/81/25/220028125.db2.gz FWKHYOHGUAIAGW-UHFFFAOYSA-N -1 1 348.384 1.875 20 30 EDEDMM CC[C@@H](C#N)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000160835842 206315438 /nfs/dbraw/zinc/31/54/38/206315438.db2.gz MBDIQQMDSNDFDX-QMMMGPOBSA-N -1 1 348.178 1.938 20 30 EDEDMM COCCOc1ccccc1C=CC(=O)c1c([O-])cc(C)oc1=O ZINC000267599726 249367111 /nfs/dbraw/zinc/36/71/11/249367111.db2.gz OXPGQGIGPDCFNR-OZSKJFCKSA-N -1 1 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