smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NNc1[nH+]cnc2c1C(c1cccc([N+](=O)[O-])c1)c1c(nc[nH+]c1NN)O2 ZINC000027549175 519181628 /nfs/dbraw/zinc/18/16/28/519181628.db2.gz LWVTVNFXGDHGAA-UHFFFAOYSA-N 2 0 367.329 1.032 50 5 FDBARP c1cc2nc3ccc(=[N+]4CCNCC4)cc-3sc2cc1N1CC[NH2+]CC1 ZINC000025758198 519080255 /nfs/dbraw/zinc/08/02/55/519080255.db2.gz RGBSIUWULADADC-UHFFFAOYSA-N 2 0 366.514 1.186 50 5 FDBARP