smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [O-]c1ccc2c(Cl)c([O-])ccc2c1Cl ZINC000059162645 323085460 /nfs/dbraw/zinc/08/54/60/323085460.db2.gz JIMGROGEZZBSDW-UHFFFAOYSA-N -2 3 229.062 3.558 10 0 BHAEHL [O-]c1ccc(-c2ccc([O-])c(Cl)c2)cc1F ZINC000065343170 183264884 /nfs/dbraw/zinc/26/48/84/183264884.db2.gz SFTJEVZYABUYQD-UHFFFAOYSA-N -2 3 238.645 3.557 10 0 BHAEHL [O-]c1ccc(-c2ccc(Cl)c([O-])c2)cc1F ZINC000065343172 183264195 /nfs/dbraw/zinc/26/41/95/183264195.db2.gz MEKQMOSMGVVGLJ-UHFFFAOYSA-N -2 3 238.645 3.557 10 0 BHAEHL [O-]c1cc(F)cc(-c2ccc([O-])c(Cl)c2)c1 ZINC000065343175 183258653 /nfs/dbraw/zinc/25/86/53/183258653.db2.gz WEENHNNBHLEELU-UHFFFAOYSA-N -2 3 238.645 3.557 10 0 BHAEHL [O-]c1cc(F)cc(-c2ccc(Cl)c([O-])c2)c1 ZINC000065343177 183259502 /nfs/dbraw/zinc/25/95/02/183259502.db2.gz KULOZWRQMBYDHX-UHFFFAOYSA-N -2 3 238.645 3.557 10 0 BHAEHL [O-]c1ccc(-c2ccc(F)cc2[O-])cc1Cl ZINC000065343179 183264889 /nfs/dbraw/zinc/26/48/89/183264889.db2.gz IWPJZCVJAZDJOZ-UHFFFAOYSA-N -2 3 238.645 3.557 10 0 BHAEHL [O-]c1cc(-c2ccc(F)cc2[O-])ccc1Cl ZINC000065343181 183254452 /nfs/dbraw/zinc/25/44/52/183254452.db2.gz AFWYEHVTQXXMRZ-UHFFFAOYSA-N -2 3 238.645 3.557 10 0 BHAEHL [O-]c1c2ccsc2c([O-])c2ccsc21 ZINC000148487706 342791376 /nfs/dbraw/zinc/79/13/76/342791376.db2.gz YIXFOGFVHYUVOR-UHFFFAOYSA-N -2 3 222.290 3.527 10 0 BHAEHL