smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=[N+]([O-])c1ccc(SC2CCCCC2)c([C@@H](O)P(=O)([O-])[O-])c1 ZINC000026271392 202141021 /nfs/dbraw/zinc/14/10/21/202141021.db2.gz KVEXQSADMFRANW-ZDUSSCGKSA-N -2 1 347.329 3.188 1 5 EGBFML