smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [O-]c1c(Cl)cc(Cl)c(Cc2c(Cl)cc(Cl)c(O)c2Cl)c1Cl ZINC000001599445 557275501 /nfs/dbraw/zinc/27/55/01/557275501.db2.gz ORLFPYAPIUHUAQ-UHFFFAOYSA-N -1 2 406.907 6.609 40 0 HKABLM [O-]c1c(Cl)cc(C2(c3cc(Cl)c(O)c(Cl)c3)CCCCC2)cc1Cl ZINC000001706977 557281983 /nfs/dbraw/zinc/28/19/83/557281983.db2.gz ANLICCDGDIUHJE-UHFFFAOYSA-N -1 2 406.136 6.962 40 0 HKABLM O=C(C=C([O-])c1ccccc1)CCCCCCCCC(=O)C=C(O)c1ccccc1 ZINC000100478325 559135590 /nfs/dbraw/zinc/13/55/90/559135590.db2.gz HOPIMTAIQRBNBN-UHFFFAOYSA-N -1 2 406.522 5.791 40 0 HKABLM