smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(=O)N1CC(Nc2cc(Br)c([O-])c(Br)c2)=CC1=O ZINC000218519996 553053844 /nfs/dbraw/zinc/05/38/44/553053844.db2.gz QIKJFLATEHAOMN-UHFFFAOYSA-N -1 1 390.031 2.602 50 70 GFIAMM Cc1cc(=O)[n-]c(S[C@H](C)C(=O)N(C)Cc2cc(-c3ccccc3)on2)n1 ZINC000217152338 231030526 /nfs/dbraw/zinc/03/05/26/231030526.db2.gz BYZYJYOLWQBRMF-CYBMUJFWSA-N -1 1 384.461 2.873 50 70 GFIAMM Cc1cc(=O)[n-]c(S[C@@H](C)C(=O)N(C)Cc2cc(-c3ccccc3)on2)n1 ZINC000217152329 570313174 /nfs/dbraw/zinc/31/31/74/570313174.db2.gz BYZYJYOLWQBRMF-ZDUSSCGKSA-N -1 1 384.461 2.873 50 70 GFIAMM COC(=O)C[C@H](c1ccc(-c2ccccc2)o1)c1c(=O)[nH]cc(C(=O)OC)c1[O-] ZINC000218014676 212113695 /nfs/dbraw/zinc/11/36/95/212113695.db2.gz QEDGMIIFOLXLII-CYBMUJFWSA-N -1 1 397.383 2.822 50 70 GFIAMM