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(c1ccc(-c2ccc([O-])c(Cl)c2)cc1)c1cccc([O-])c1 ZINC000082153527 192362311 /nfs/dbraw/zinc/36/23/11/192362311.db2.gz KHDREIFFVIZQAM-UHFFFAOYSA-N -2 3 324.763 4.649 1 0 DJAFHL [O-]c1cc(F)cc(-c2ccc(-c3cc([O-])cc(F)c3)s2)c1 ZINC000095589068 185382235 /nfs/dbraw/zinc/38/22/35/185382235.db2.gz DWUVEFCGVLKESS-UHFFFAOYSA-N -2 3 304.317 4.772 1 0 DJAFHL [O-]c1ccc(-c2ccc(-c3ccc([O-])c(F)c3)s2)cc1F ZINC000095592320 193446666 /nfs/dbraw/zinc/44/66/66/193446666.db2.gz JVOGNNIIKIBHJB-UHFFFAOYSA-N -2 3 304.317 4.772 1 0 DJAFHL CCc1cccc2c([O-])c(-c3oc(C)c(C)c3C(=O)[O-])ccc12 ZINC000040878426 183145083 /nfs/dbraw/zinc/14/50/83/183145083.db2.gz FUJSHMDXYXOXFL-UHFFFAOYSA-N -2 3 310.349 4.683 1 0 DJAFHL [O-]c1cc(-c2ccc(-c3ccc(F)c([O-])c3)s2)ccc1F ZINC000095587049 185381429 /nfs/dbraw/zinc/38/14/29/185381429.db2.gz GLZZWWFVILISTI-UHFFFAOYSA-N -2 3 304.317 4.772 1 0 DJAFHL CCc1coc(-c2ccc3c(CC)cccc3c2[O-])c1C(=O)[O-] ZINC000040379575 183057875 /nfs/dbraw/zinc/05/78/75/183057875.db2.gz HWCKNZLMGSYCCA-UHFFFAOYSA-N -2 3 310.349 4.628 1 0 DJAFHL