pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
0.519999980926514	QSARToolbox	3	2	O=[N+]([O-])c1ccc[nH+]c1N[NH+]=C(c1ccccn1)c1cccc[nH+]1,O=[N+]([O-])c1ccc[nH+]c1NN=C(c1cccc[nH+]1)c1cccc[nH+]1,O=[N+]([O-])c1cccnc1[NH2+][NH+]=C(c1ccccn1)c1cccc[nH+]1,O=[N+]([O-])c1ccc[nH+]c1[NH2+]N=C(c1ccccn1)c1cccc[nH+]1,O=[N+]([O-])c1cccnc1[NH2+]N=C(c1cccc[nH+]1)c1cccc[nH+]1,O=[N+]([O-])c1ccc[nH+]c1[NH2+][NH+]=C(c1ccccn1)c1ccccn1	O=[N+]([O-])c1ccc[nH+]c1NN=C(c1ccccn1)c1cccc[nH+]1,O=[N+]([O-])c1cccnc1NN=C(c1cccc[nH+]1)c1cccc[nH+]1,O=[N+]([O-])c1cccnc1[NH2+][NH+]=C(c1ccccn1)c1ccccn1	mol35939	O=[N+]([O-])c1cccnc1NN=C(c1ccccn1)c1ccccn1