smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=c1ccc2c(-c3ccccc3[O-])c3ccc([O-])cc3oc-2c1 ZINC000004582277 181126767 /nfs/dbraw/zinc/12/67/67/181126767.db2.gz DTORADINSJYOQB-UHFFFAOYSA-N -2 3 304.301 3.976 50 5 DHBAHL O=[N+]([O-])c1cc(/C=C/c2ccc3cccc([O-])c3n2)ccc1[O-] ZINC000036245338 563454539 /nfs/dbraw/zinc/45/45/39/563454539.db2.gz VQZQIIPEQUTIDV-QPJJXVBHSA-N -2 3 308.293 3.725 50 5 DHBAHL O=[N+]([O-])c1ccc([O-])c(/C=C/c2ccc3cccc([O-])c3n2)c1 ZINC000036245335 563454774 /nfs/dbraw/zinc/45/47/74/563454774.db2.gz JZHOPTWQXFFLJE-FNORWQNLSA-N -2 3 308.293 3.725 50 5 DHBAHL