smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)=CCc1ccc2c(=O)c3c([O-])cccc3oc2c1[O-] ZINC000005854725 560203719 /nfs/dbraw/zinc/20/37/19/560203719.db2.gz APHJPNXEBUUMKB-UHFFFAOYSA-N -2 3 296.322 3.866 10 5 biogenic,in-vitro CHBEHL