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)=CCc1c(=O)cc2oc3ccc(O)cc3c([O-])c-2c1[O-] ZINC000014819752 563403665 /nfs/dbraw/zinc/40/36/65/563403665.db2.gz FLWKTILHZPCXDW-UHFFFAOYSA-N -2 3 312.321 3.572 40 5 biogenic,in-vitro DHBBHL