smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCc1cc([O-])c2c(O)c3c(c([O-])c2c1C(=O)OC)C(=O)c1cccc([O-])c1C3=O ZINC000005956181 560203969 /nfs/dbraw/zinc/20/39/69/560203969.db2.gz UUAGKLUSYOOORZ-UHFFFAOYSA-N -3 3 408.362 2.787 1 10 in-vitro HFCFHL