smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1c2cccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)c2C(=O)c2c([O-])cc(CO)cc21 ZINC000015060501 571730041 /nfs/dbraw/zinc/73/00/41/571730041.db2.gz KIZBWUUJNJEYCM-DPEQZQOSSA-N -1 3 432.381 -1.161 10 10 endogenous,in-man IACEHM