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([O+]=NN(O)N2CCNCC2)c([N+](=O)[O-])c1 ZINC000040565926 183103555 /nfs/dbraw/zinc/10/35/55/183103555.db2.gz DXSNYOVMDGRJRI-FOWTUZBSSA-N 1 3 312.242 0.580 1 10 DCCFHO O=[N+]([O-])c1ccc([O+]=NN(O)N2CCNCC2)c([N+](=O)[O-])c1 ZINC000195474897 201393545 /nfs/dbraw/zinc/39/35/45/201393545.db2.gz DXSNYOVMDGRJRI-UHFFFAOYSA-N 1 3 312.242 0.580 1 10 DCCFHO