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-])C(CO)(CO)[N+](=O)NCCNS(=O)(=O)c1ccccc1 ZINC000059738112 685046958 /nfs/dbraw/zinc/04/69/58/685046958.db2.gz XVJWBHNYULKIGF-OWBHPGMISA-N 1 3 348.337 -1.115 10 5 EABEHO