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)N1N=C(c2c(=O)[nH]c(=S)n(C)c2O)C[C@@H]1c1ccc(C(C)C)cc1 ZINC000101764465 570833329 /nfs/dbraw/zinc/83/33/29/570833329.db2.gz POUZVIFGFATEQF-OAHLLOKOSA-N -2 2 386.477 2.969 50 0 GFAALL Cc1ccc(-n2c(O)c([C@H]3OCc4cnc(C)c(O)c43)c(=O)[nH]c2=S)cc1 ZINC000002146257 570971761 /nfs/dbraw/zinc/97/17/61/570971761.db2.gz BCQKLBNVTRWDCM-INIZCTEOSA-N -3 2 383.429 2.938 50 0 GFAALL CCCCn1c(O)c(C2=NN[C@H](c3ccc(OC)c(O)c3)C2)c(=O)[nH]c1=S ZINC000015834792 570271063 /nfs/dbraw/zinc/27/10/63/570271063.db2.gz NPERKFKIVASEHE-NSHDSACASA-N -2 2 390.465 2.564 50 0 GFAALL