smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000159915222 375179142 /nfs/dbraw/zinc/17/91/42/375179142.db2.gz CIKGKNKVTOOXDM-AOOOYVTPSA-N -1 1 315.333 -0.422 20 70 DBIDMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]CC(C)(C)CO ZINC000160062359 378161365 /nfs/dbraw/zinc/16/13/65/378161365.db2.gz PXCCEHBXPUQQKI-UHFFFAOYSA-N -1 1 305.356 -0.117 20 70 DBIDMM COC[C@H](O)CCNC(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C ZINC000161400524 522773083 /nfs/dbraw/zinc/77/30/83/522773083.db2.gz PBGKALOFPMNIBT-LLVKDONJSA-N -1 1 322.365 -0.304 20 70 DBIDMM Cn1cc(S(=O)(=O)[N-]CC2(C3CC3)CC2)c(=O)n(C)c1=O ZINC000160152655 527286528 /nfs/dbraw/zinc/28/65/28/527286528.db2.gz DIOQALXNRWTXGZ-UHFFFAOYSA-N -1 1 313.379 -0.448 20 70 DBIDMM COC[C@@H](O)CCNC(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C ZINC000161400387 522386848 /nfs/dbraw/zinc/38/68/48/522386848.db2.gz PBGKALOFPMNIBT-NSHDSACASA-N -1 1 322.365 -0.304 20 70 DBIDMM