smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=S(=O)([N-]c1cc(Cl)c([O-])c2ccccc12)c1cccc2ccccc21 ZINC000012042507 221144759 /nfs/dbraw/zinc/14/47/59/221144759.db2.gz NOWQNAPKSCSKMQ-UHFFFAOYSA-N -2 0 383.856 5.153 50 10 GKCARL