smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O[C@H]1C[N@H+](C2CCN(c3ccc4c(c3)OCO4)CC2)C[C@@H]1N1CCOCC1 ZINC000020202893 136202675 /nfs/dbraw/zinc/20/26/75/136202675.db2.gz ZUEGHKWTEFHPMY-ROUUACIJSA-N 1 1 375.469 0.761 1 10 GCCFMO