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)N2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000040565926 183103552 /nfs/dbraw/zinc/10/35/52/183103552.db2.gz DXSNYOVMDGRJRI-FOWTUZBSSA-N 2 0 312.242 0.580 1 10 DCCFRP O=[N+]([O-])c1ccc([O+]=NN(O)N2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000195474897 201393543 /nfs/dbraw/zinc/39/35/43/201393543.db2.gz DXSNYOVMDGRJRI-UHFFFAOYSA-N 2 0 312.242 0.580 1 10 DCCFRP