smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOc1cc(C=NNc2nc([O-])c(CC(=O)[O-])s2)ccc1OCc1ccc(Cl)cc1 ZINC000033248630 520646464 /nfs/dbraw/zinc/64/64/64/520646464.db2.gz BCUOYMPIZXYQBA-JHHOAVTDSA-N -2 1 461.927 3.714 1 30 JHEFML CCOc1cc(C=NNc2nc([O-])c(CC(=O)[O-])s2)ccc1OCc1ccc(Cl)cc1 ZINC000033248629 520647055 /nfs/dbraw/zinc/64/70/55/520647055.db2.gz BCUOYMPIZXYQBA-TXAUKBGOSA-N -2 1 461.927 3.714 1 30 JHEFML