pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.23	Datawarrior	0	-1	Oc1cnccn1	[O-]c1cnccn1	mol2143	Oc1cnccn1
8.2299995	OCHEM	0	-1	Oc1cnccn1	[O-]c1cnccn1	mol2143	Oc1cnccn1
8.25	Hunt	0	-1	Oc1cnccn1	[O-]c1cnccn1	mol2143	Oc1cnccn1
8.22999954223633	QSARToolbox	0	-1	Oc1cnccn1	[O-]c1cnccn1	mol2143	Oc1cnccn1
-0.1	Datawarrior	1	0	Oc1cncc[nH+]1,Oc1c[nH+]ccn1	Oc1cnccn1	mol2143	Oc1cnccn1
-0.100000001490116	QSARToolbox	1	0	Oc1cncc[nH+]1,Oc1c[nH+]ccn1	Oc1cnccn1	mol2143	Oc1cnccn1