smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc2c(c1)O[C@]1(OC[C@@H](O)[C@@H](O)[C@@H]1O)C(=O)N2[O-] ZINC000006041094 295268809 /nfs/dbraw/zinc/26/88/09/295268809.db2.gz KQHIMZKAXJCFNV-GOONRYMUSA-N -1 1 313.262 -1.381 40 30 DAEBMM