pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.73	OCHEM	0	-1	Oc1ccc(N=Nc2ccncc2)cc1	[O-]c1ccc(N=Nc2ccncc2)cc1	mol32517	Oc1ccc(N=Nc2ccncc2)cc1
4.6500001	OCHEM	1	0	Oc1ccc(N=Nc2cc[nH+]cc2)cc1,Oc1ccc(N=[NH+]c2ccncc2)cc1,Oc1ccc([NH+]=Nc2ccncc2)cc1	Oc1ccc(N=Nc2ccncc2)cc1	mol32517	Oc1ccc(N=Nc2ccncc2)cc1
4.65000009536743	QSARToolbox	1	0	Oc1ccc(N=Nc2cc[nH+]cc2)cc1,Oc1ccc(N=[NH+]c2ccncc2)cc1,Oc1ccc([NH+]=Nc2ccncc2)cc1	Oc1ccc(N=Nc2ccncc2)cc1	mol32517	Oc1ccc(N=Nc2ccncc2)cc1