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(NN=C2C(=O)C=Cc3ccccc32)cc(C(=O)[O-])c1 ZINC000101498597 204008817 /nfs/dbraw/zinc/00/88/17/204008817.db2.gz CXQUYNPLPYNRQI-FMQUCBEESA-N -2 0 336.303 4.357 1 10 EICFRL