smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])c1ccc(Nc2nc3nonc3nc2Nc2ccc(C(=O)[O-])c(O)c2)cc1O ZINC000003146371 568858222 /nfs/dbraw/zinc/85/82/22/568858222.db2.gz BCASGEPUBYQONA-UHFFFAOYSA-N -2 0 424.329 2.308 1 0 HEAFRL