pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.40999984741211	QSARToolbox	1	0	c1ccc(N[NH+]=C(c2ccccn2)c2ccccn2)nc1,c1ccc(C(=NNc2cccc[nH+]2)c2ccccn2)nc1,c1ccc(NN=C(c2ccccn2)c2cccc[nH+]2)nc1,c1ccc([NH2+]N=C(c2ccccn2)c2ccccn2)nc1	c1ccc(NN=C(c2ccccn2)c2ccccn2)nc1	mol36468	c1ccc(NN=C(c2ccccn2)c2ccccn2)nc1
3.01999998092651	QSARToolbox	2	1	c1ccc([NH2+][NH+]=C(c2ccccn2)c2ccccn2)nc1,c1ccc(C(=NNc2cccc[nH+]2)c2cccc[nH+]2)nc1,c1ccc(NN=C(c2cccc[nH+]2)c2cccc[nH+]2)nc1,c1ccc(C(=N[NH2+]c2cccc[nH+]2)c2ccccn2)nc1	c1ccc(N[NH+]=C(c2ccccn2)c2ccccn2)nc1,c1ccc(C(=NNc2cccc[nH+]2)c2ccccn2)nc1,c1ccc(NN=C(c2ccccn2)c2cccc[nH+]2)nc1,c1ccc([NH2+]N=C(c2ccccn2)c2ccccn2)nc1	mol36468	c1ccc(NN=C(c2ccccn2)c2ccccn2)nc1