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-])c1cccc2cccc(-c3c4ccc(=O)cc-4oc4cc(O)ccc43)c21 ZINC000005048639 570426121 /nfs/dbraw/zinc/42/61/21/570426121.db2.gz DNVGCSHHOPOHOW-UHFFFAOYSA-N -1 2 382.371 5.122 40 5 GKBBLM