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)=CCC/C(C)=C/Cc1ccc(O)c(C(=O)c2c([O-])cc(C=O)cc2C(=O)[O-])c1O ZINC000031168276 291387844 /nfs/dbraw/zinc/38/78/44/291387844.db2.gz HTPFCQBRMHUAEU-VIZOYTHASA-N -2 2 438.476 4.780 40 0 biogenic,in-vitro IJABLL