smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(C([O-])=CC([O-])(C(F)(F)F)C(F)(F)F)cc1[N+](=O)[O-] ZINC000001639159 452672700 /nfs/dbraw/zinc/67/27/00/452672700.db2.gz MLXSNTXMNHRXLH-UHFFFAOYSA-N -2 3 345.195 3.332 40 5 EGBBHL O=C([O-])c1cc(OCc2c(F)cccc2Cl)cc([N+](=O)[O-])c1[O-] ZINC000216932626 1424788051 /nfs/dbraw/zinc/78/80/51/1424788051.db2.gz KAKDOQJOOHXJSS-UHFFFAOYSA-N -2 3 341.678 3.370 40 5 EGBBHL O=C([O-])c1cc2c(c3c4cccc([O-])c4cc([N+](=O)[O-])c13)OCO2 ZINC000006093915 1424788485 /nfs/dbraw/zinc/78/84/85/1424788485.db2.gz LGZIKBZSCRORQN-UHFFFAOYSA-N -2 3 327.248 3.034 40 5 biogenic,in-vitro EGBBHL O=C([O-])c1cc(OCc2ccc(F)cc2Cl)cc([N+](=O)[O-])c1[O-] ZINC000216846273 1424788555 /nfs/dbraw/zinc/78/85/55/1424788555.db2.gz QOJNCJKGNRDACR-UHFFFAOYSA-N -2 3 341.678 3.370 40 5 EGBBHL