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-])C(=O)C=C(O)c1cc(OCc2ccccc2)cc(OCc2ccccc2)c1 ZINC000003594435 581102305 /nfs/dbraw/zinc/10/23/05/581102305.db2.gz DMKPCVNGEXFHKJ-HMAPJEAMSA-N -1 2 404.418 4.397 1 30 HIEFLM