smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc(C(=O)/C=C/C=C/C=C\C(=O)[O-])c([O-])c([C@H](C)CC/C=C/C(=O)[O-])c1 ZINC000033833063 291252526 /nfs/dbraw/zinc/25/25/26/291252526.db2.gz AHRYTOIRSZZUSM-WIXAEFKJSA-N -3 3 400.427 3.861 1 30 biogenic,in-vitro HHEFHL