pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.63	IUPAC digitized pKa	0	-1	Oc1cc2ccccc2nn1	[O-]c1cc2ccccc2nn1	mol1412	Oc1cc2ccccc2nn1
8.62	IUPAC digitized pKa	0	-1	Oc1cc2ccccc2nn1	[O-]c1cc2ccccc2nn1	mol1412	Oc1cc2ccccc2nn1
8.61	Datawarrior	0	-1	Oc1cc2ccccc2nn1	[O-]c1cc2ccccc2nn1	mol1412	Oc1cc2ccccc2nn1
8.6099997	OCHEM	0	-1	Oc1cc2ccccc2nn1	[O-]c1cc2ccccc2nn1	mol1412	Oc1cc2ccccc2nn1
8.60999965667725	QSARToolbox	0	-1	Oc1cc2ccccc2nn1	[O-]c1cc2ccccc2nn1	mol1412	Oc1cc2ccccc2nn1
8.64	AttenGpKa training set	0	-1	Oc1cc2ccccc2nn1	[O-]c1cc2ccccc2nn1	mol1412	Oc1cc2ccccc2nn1
0.21	Datawarrior	1	0	Oc1cc2ccccc2n[nH+]1,Oc1cc2ccccc2[nH+]n1	Oc1cc2ccccc2nn1	mol1412	Oc1cc2ccccc2nn1
0.20999999	OCHEM	1	0	Oc1cc2ccccc2n[nH+]1,Oc1cc2ccccc2[nH+]n1	Oc1cc2ccccc2nn1	mol1412	Oc1cc2ccccc2nn1
0.209999993443489	QSARToolbox	1	0	Oc1cc2ccccc2n[nH+]1,Oc1cc2ccccc2[nH+]n1	Oc1cc2ccccc2nn1	mol1412	Oc1cc2ccccc2nn1