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=C/C=C(\C)C(=O)[O-])=C\C=C\C=C(C)\C=C\C=C(/C)C(=O)[O-] ZINC000004097701 210118815 /nfs/dbraw/zinc/11/88/15/210118815.db2.gz PANKHBYNKQNAHN-MQQNZMFNSA-N -2 0 328.408 4.609 50 5 biogenic,in-vitro EJBARL