pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.14	IUPAC digitized pKa	0	-1	Oc1cnc2ccccc2n1	[O-]c1cnc2ccccc2n1	mol1434	Oc1cnc2ccccc2n1
9.1	Datawarrior	0	-1	Oc1cnc2ccccc2n1	[O-]c1cnc2ccccc2n1	mol1434	Oc1cnc2ccccc2n1
9.1000004	OCHEM	0	-1	Oc1cnc2ccccc2n1	[O-]c1cnc2ccccc2n1	mol1434	Oc1cnc2ccccc2n1
9.07999992370606	QSARToolbox	0	-1	Oc1cnc2ccccc2n1	[O-]c1cnc2ccccc2n1	mol1434	Oc1cnc2ccccc2n1
9.11999988555908	QSARToolbox	0	-1	Oc1cnc2ccccc2n1	[O-]c1cnc2ccccc2n1	mol1434	Oc1cnc2ccccc2n1
9.08	AttenGpKa training set	0	-1	Oc1cnc2ccccc2n1	[O-]c1cnc2ccccc2n1	mol1434	Oc1cnc2ccccc2n1
-1.37	Datawarrior	1	0	Oc1c[nH+]c2ccccc2n1,Oc1cnc2ccccc2[nH+]1	Oc1cnc2ccccc2n1	mol1434	Oc1cnc2ccccc2n1