pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.8	IUPAC digitized pKa	0	-1	Oc1cncnc1	[O-]c1cncnc1	mol1353	Oc1cncnc1
6.78	Datawarrior	0	-1	Oc1cncnc1	[O-]c1cncnc1	mol1353	Oc1cncnc1
6.7800002	OCHEM	0	-1	Oc1cncnc1	[O-]c1cncnc1	mol1353	Oc1cncnc1
6.78000020980835	QSARToolbox	0	-1	Oc1cncnc1	[O-]c1cncnc1	mol1353	Oc1cncnc1
6.80000019073486	QSARToolbox	0	-1	Oc1cncnc1	[O-]c1cncnc1	mol1353	Oc1cncnc1
1.85	IUPAC digitized pKa	1	0	Oc1cnc[nH+]c1	Oc1cncnc1	mol1353	Oc1cncnc1
1.87	Datawarrior	1	0	Oc1cnc[nH+]c1	Oc1cncnc1	mol1353	Oc1cncnc1
1.55	OCHEM	1	0	Oc1cnc[nH+]c1	Oc1cncnc1	mol1353	Oc1cncnc1
1.87000000476837	QSARToolbox	1	0	Oc1cnc[nH+]c1	Oc1cncnc1	mol1353	Oc1cncnc1
1.85000002384186	QSARToolbox	1	0	Oc1cnc[nH+]c1	Oc1cncnc1	mol1353	Oc1cncnc1