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-])CN1C[C@H](c2cccs2)SC[C@H](N[C@@H](CCc2ccccc2)C(=O)[O-])C1=O ZINC000001999432 562925449 /nfs/dbraw/zinc/92/54/49/562925449.db2.gz KZVWEOXAPZXAFB-XYJFISCASA-N -2 1 448.566 2.493 10 0 IEAEML