smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H]1CCCN(C(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)C1 ZINC000002460286 204040000 /nfs/dbraw/zinc/04/00/00/204040000.db2.gz BABVOYVNPHLJJO-CYBMUJFWSA-N 0 2 364.492 3.421 50 0 FGAALN Cc1c(C(=O)Nc2ccc(C)cc2C)sc2[nH]c(=S)n(N)c(=O)c12 ZINC000003018531 204074941 /nfs/dbraw/zinc/07/49/41/204074941.db2.gz VVVGKJXGJUJFHP-UHFFFAOYSA-N 0 2 360.464 3.012 50 0 FGAALN O=S(=O)(Nc1cnn(Cc2ccc(Cl)cc2)c1)c1cccs1 ZINC000002778222 204057502 /nfs/dbraw/zinc/05/75/02/204057502.db2.gz LTELRBAJJHEJEZ-UHFFFAOYSA-N 0 2 353.856 3.447 50 0 FGAALN Cc1ccnc(NS(=O)(=O)c2ccc3c(c2)NC(=O)C[C@@H](C)S3)c1 ZINC000015730425 220162722 /nfs/dbraw/zinc/16/27/22/220162722.db2.gz ZGXSMQCSQXFNAH-LLVKDONJSA-N 0 2 363.464 3.014 50 0 FGAALN O=C(CSC1=Nc2ccc(Cl)cc2S(=O)(=O)N1)c1ccccc1 ZINC000012361150 206290095 /nfs/dbraw/zinc/29/00/95/206290095.db2.gz WPQUOKRDXONCPM-UHFFFAOYSA-N 0 2 366.851 3.426 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/nfs/dbraw/zinc/18/58/89/494185889.db2.gz RIWUHVMCJIVKPQ-UHFFFAOYSA-N 0 2 356.860 3.368 50 0 FGAALN CC1CC[NH+](c2ccc(NS(=O)(=O)c3ccc(C(=O)[O-])cc3)cc2)CC1 ZINC000012560901 494242294 /nfs/dbraw/zinc/24/22/94/494242294.db2.gz BJXYQYFFYLKOJY-UHFFFAOYSA-N 0 2 374.462 3.422 50 0 FGAALN CC(C)c1ccccc1OCC(=O)N(C)Cc1nc(=O)c2sccc2[nH]1 ZINC000012747056 494254368 /nfs/dbraw/zinc/25/43/68/494254368.db2.gz DODZYEGUDNEGFT-UHFFFAOYSA-N 0 2 371.462 3.145 50 0 FGAALN CCCCOc1ccc(C(=O)N(C)Cc2nc(=O)c3sccc3[nH]2)cc1 ZINC000012754741 494255207 /nfs/dbraw/zinc/25/52/07/494255207.db2.gz FNNSGJMFBGVQJD-UHFFFAOYSA-N 0 2 371.462 3.436 50 0 FGAALN Cc1nn(C)c(Oc2cccnc2)c1NS(=O)(=O)c1ccc(C)cc1C ZINC000078737210 494352873 /nfs/dbraw/zinc/35/28/73/494352873.db2.gz QYXHRMGFUNDXNR-UHFFFAOYSA-N 0 2 372.450 3.333 50 0 FGAALN CCCOc1ccc(Br)cc1S(=O)(=O)Nc1cccnc1 ZINC000016626615 494396437 /nfs/dbraw/zinc/39/64/37/494396437.db2.gz OWAKUWBNNIEPGM-UHFFFAOYSA-N 0 2 371.256 3.434 50 0 FGAALN 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