smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=c1[n-]c(C=Cc2cc(Cl)ccc2OCc2cccc(Cl)c2)nc([O-])c1[N+](=O)[O-] ZINC000015009295 557242958 /nfs/dbraw/zinc/24/29/58/557242958.db2.gz OZJHFPIKURYSMO-QPJJXVBHSA-N -2 1 434.235 4.440 50 5 IIBAML CCOc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)cc(Cl)c1OCc1ccccc1 ZINC000009234963 569294726 /nfs/dbraw/zinc/29/47/26/569294726.db2.gz BBJORWJPPIPUJU-CMDGGOBGSA-N -2 1 443.843 4.185 50 5 IIBAML