pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.33	IUPAC digitized pKa	0	-1	Oc1cnc2ccncc2n1	[O-]c1cnc2ccncc2n1	mol8026	Oc1cnc2ccncc2n1
7.49	IUPAC digitized pKa	0	-1	Oc1cnc2ccncc2n1	[O-]c1cnc2ccncc2n1	mol8026	Oc1cnc2ccncc2n1
6.78000020980835	QSARToolbox	0	-1	Oc1cnc2ccncc2n1	[O-]c1cnc2ccncc2n1	mol8026	Oc1cnc2ccncc2n1
7.19999980926514	QSARToolbox	0	-1	Oc1cnc2ccncc2n1	[O-]c1cnc2ccncc2n1	mol8026	Oc1cnc2ccncc2n1
7.32999992370606	QSARToolbox	0	-1	Oc1cnc2ccncc2n1	[O-]c1cnc2ccncc2n1	mol8026	Oc1cnc2ccncc2n1
7.48999977111816	QSARToolbox	0	-1	Oc1cnc2ccncc2n1	[O-]c1cnc2ccncc2n1	mol8026	Oc1cnc2ccncc2n1
6.78	IUPAC digitized pKa	1	0	Oc1cnc2cc[nH+]cc2n1,Oc1cnc2ccncc2[nH+]1,Oc1c[nH+]c2ccncc2n1	Oc1cnc2ccncc2n1	mol8026	Oc1cnc2ccncc2n1