pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.73	IUPAC digitized pKa	0	-1	Oc1ncc2ccccc2n1	[O-]c1ncc2ccccc2n1	mol1426	Oc1ncc2ccccc2n1
10.69	Datawarrior	0	-1	Oc1ncc2ccccc2n1	[O-]c1ncc2ccccc2n1	mol1426	Oc1ncc2ccccc2n1
10.6899995803833	QSARToolbox	0	-1	Oc1ncc2ccccc2n1	[O-]c1ncc2ccccc2n1	mol1426	Oc1ncc2ccccc2n1
1.3	Datawarrior	1	0	Oc1ncc2ccccc2[nH+]1,Oc1nc2ccccc2c[nH+]1	Oc1ncc2ccccc2n1	mol1426	Oc1ncc2ccccc2n1
1.29999995231628	QSARToolbox	1	0	Oc1ncc2ccccc2[nH+]1,Oc1nc2ccccc2c[nH+]1	Oc1ncc2ccccc2n1	mol1426	Oc1ncc2ccccc2n1
1.73000001907349	QSARToolbox	1	0	Oc1ncc2ccccc2[nH+]1,Oc1nc2ccccc2c[nH+]1	Oc1ncc2ccccc2n1	mol1426	Oc1ncc2ccccc2n1
1.32	AttenGpKa training set	1	0	Oc1ncc2ccccc2[nH+]1,Oc1nc2ccccc2c[nH+]1	Oc1ncc2ccccc2n1	mol1426	Oc1ncc2ccccc2n1