pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.78	OCHEM	0	-1	Oc1nc(O)nc(O)n1	[O-]c1nc(O)nc(O)n1	mol2530	Oc1nc(O)nc(O)n1
6.88000011444092	QSARToolbox	0	-1	Oc1nc(O)nc(O)n1	[O-]c1nc(O)nc(O)n1	mol2530	Oc1nc(O)nc(O)n1
6.7	AttenGpKa training set	0	-1	Oc1nc(O)nc(O)n1	[O-]c1nc(O)nc(O)n1	mol2530	Oc1nc(O)nc(O)n1
11.3999996185303	QSARToolbox	-1	-2	[O-]c1nc(O)nc(O)n1	[O-]c1nc([O-])nc(O)n1	mol2530	Oc1nc(O)nc(O)n1
10.6	AttenGpKa training set	-1	-2	[O-]c1nc(O)nc(O)n1	[O-]c1nc([O-])nc(O)n1	mol2530	Oc1nc(O)nc(O)n1
10.1	AttenGpKa training set	-1	-2	[O-]c1nc(O)nc(O)n1	[O-]c1nc([O-])nc(O)n1	mol2530	Oc1nc(O)nc(O)n1
14.0	AttenGpKa training set	-2	-3	[O-]c1nc([O-])nc(O)n1	[O-]c1nc([O-])nc([O-])n1	mol2530	Oc1nc(O)nc(O)n1