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([O-])[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000035686099 209192475 /nfs/dbraw/zinc/19/24/75/209192475.db2.gz YSDHIUYBCUUCCL-CYBMUJFWSA-N -2 3 384.797 2.222 10 5 GEBEHL