pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
11.76	IUPAC digitized pKa	0	-1	Oc1ccc2ccccc2n1	[O-]c1ccc2ccccc2n1	mol1390	Oc1ccc2ccccc2n1
11.74	Datawarrior	0	-1	Oc1ccc2ccccc2n1	[O-]c1ccc2ccccc2n1	mol1390	Oc1ccc2ccccc2n1
11.7399997711182	QSARToolbox	0	-1	Oc1ccc2ccccc2n1	[O-]c1ccc2ccccc2n1	mol1390	Oc1ccc2ccccc2n1
11.7600002288818	QSARToolbox	0	-1	Oc1ccc2ccccc2n1	[O-]c1ccc2ccccc2n1	mol1390	Oc1ccc2ccccc2n1
0.31	Datawarrior	1	0	Oc1ccc2ccccc2[nH+]1	Oc1ccc2ccccc2n1	mol1390	Oc1ccc2ccccc2n1
0.310000002384186	QSARToolbox	1	0	Oc1ccc2ccccc2[nH+]1	Oc1ccc2ccccc2n1	mol1390	Oc1ccc2ccccc2n1
-0.310000002384186	QSARToolbox	1	0	Oc1ccc2ccccc2[nH+]1	Oc1ccc2ccccc2n1	mol1390	Oc1ccc2ccccc2n1
-0.31	AttenGpKa training set	1	0	Oc1ccc2ccccc2[nH+]1	Oc1ccc2ccccc2n1	mol1390	Oc1ccc2ccccc2n1