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-])N[C@H](CC(=O)NN=c1[nH]c(C(F)(F)F)cs1)c1ccccc1 ZINC000834128046 605631775 /nfs/dbraw/zinc/63/17/75/605631775.db2.gz SFAAJPGWUNGRRL-SECBINFHSA-N -1 2 374.344 3.004 20 50 FGGDLM Cc1cc(C(=O)NNc2nc(C(F)(F)F)cs2)ccc1NC(=O)[O-] ZINC000829962243 605326410 /nfs/dbraw/zinc/32/64/10/605326410.db2.gz YQLCJJLBGKRFKN-UHFFFAOYSA-N -1 2 360.317 3.317 20 50 FGGDLM Cc1cc(C(=O)NN=c2[nH]c(C(F)(F)F)cs2)ccc1NC(=O)[O-] ZINC000829962243 605326414 /nfs/dbraw/zinc/32/64/14/605326414.db2.gz YQLCJJLBGKRFKN-UHFFFAOYSA-N -1 2 360.317 3.317 20 50 FGGDLM O=C([O-])c1csc(NS(=O)(=O)c2ccc(CCCCl)cc2)c1 ZINC000833343777 602116680 /nfs/dbraw/zinc/11/66/80/602116680.db2.gz NUGCLJGIQXOZLG-UHFFFAOYSA-N -1 2 359.856 3.419 20 50 FGGDLM O=C([O-])N[C@@H](CC(=O)NN=c1[nH]c(C(F)(F)F)cs1)c1ccccc1 ZINC000834128047 605631974 /nfs/dbraw/zinc/63/19/74/605631974.db2.gz SFAAJPGWUNGRRL-VIFPVBQESA-N -1 2 374.344 3.004 20 50 FGGDLM O=C([O-])Nc1cc(C(=O)NNc2nc(C(F)(F)F)cs2)ccc1F ZINC000832821186 603483317 /nfs/dbraw/zinc/48/33/17/603483317.db2.gz WNBPSOLAUDMNOB-UHFFFAOYSA-N -1 2 364.280 3.148 20 50 FGGDLM O=C([O-])Nc1cc(C(=O)NN=c2[nH]c(C(F)(F)F)cs2)ccc1F ZINC000832821186 603483319 /nfs/dbraw/zinc/48/33/19/603483319.db2.gz WNBPSOLAUDMNOB-UHFFFAOYSA-N -1 2 364.280 3.148 20 50 FGGDLM Cc1c(C(=O)[O-])csc1NS(=O)(=O)c1ccc(CCCl)cc1 ZINC000833741349 605126429 /nfs/dbraw/zinc/12/64/29/605126429.db2.gz IUNBBHWQMNRJOE-UHFFFAOYSA-N -1 2 359.856 3.337 20 50 FGGDLM