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-])c1cc(C(=O)[O-])c2cc(/N=N/c3ccccc3)ccc2n1 ZINC000013473782 181853952 /nfs/dbraw/zinc/85/39/52/181853952.db2.gz PJILPUSLVMMWEV-FMQUCBEESA-N -2 0 321.292 4.047 1 10 DICFRL