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=C\c1ccc([O-])c2oc(-c3ccc(O)c(O)c3)cc21 ZINC000095919068 560054747 /nfs/dbraw/zinc/05/47/47/560054747.db2.gz KSKIGSUQYGWNAK-UTCJRWHESA-N -2 1 312.277 3.314 1 10 biogenic,in-vitro DGCFML