smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [O-]c1cccc2ccc(/C=C/c3cc(Cl)cc(Cl)c3[O-])nc12 ZINC000004755387 563510425 /nfs/dbraw/zinc/51/04/25/563510425.db2.gz VCMZBCVKYFLYBH-FNORWQNLSA-N -2 3 332.186 5.123 50 0 EKAAHL [O-]c1cccc(/C=C/c2ccc3c(Cl)cc(Cl)c([O-])c3n2)c1 ZINC000006335439 564001881 /nfs/dbraw/zinc/00/18/81/564001881.db2.gz LCSGFXOSFTYFJV-SNAWJCMRSA-N -2 3 332.186 5.123 50 0 EKAAHL [O-]c1ccc(C2(c3ccc([O-])c(Cl)c3)CCCCC2)cc1Cl ZINC000034343423 564038775 /nfs/dbraw/zinc/03/87/75/564038775.db2.gz SANDGKAKRMRKKL-UHFFFAOYSA-N -2 3 337.246 5.655 50 0 EKAAHL