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([O-])c1ccccc1NC(=O)NNC(=O)c1sc2ccccc2c1Cl ZINC001594780603 953627701 /nfs/dbraw/zinc/62/77/01/953627701.db2.gz YYSNEBXGQLSPPK-UHFFFAOYSA-N -1 2 389.820 3.719 20 50 GHGDLM O=C([O-])Nc1ccc(C(=O)NNc2nc(C(F)(F)F)cs2)c(Cl)c1 ZINC000832839191 603483130 /nfs/dbraw/zinc/48/31/30/603483130.db2.gz SIBSJWHIMDWPRG-UHFFFAOYSA-N -1 2 380.735 3.662 20 50 GHGDLM O=C([O-])Nc1ccc(C(=O)NN=c2[nH]c(C(F)(F)F)cs2)c(Cl)c1 ZINC000832839191 603483133 /nfs/dbraw/zinc/48/31/33/603483133.db2.gz SIBSJWHIMDWPRG-UHFFFAOYSA-N -1 2 380.735 3.662 20 50 GHGDLM