pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.59	IUPAC digitized pKa	0	-1	Oc1ccc2ccnnc2c1	[O-]c1ccc2ccnnc2c1	mol1416	Oc1ccc2ccnnc2c1
7.56	Datawarrior	0	-1	Oc1ccc2ccnnc2c1	[O-]c1ccc2ccnnc2c1	mol1416	Oc1ccc2ccnnc2c1
7.5599999	OCHEM	0	-1	Oc1ccc2ccnnc2c1	[O-]c1ccc2ccnnc2c1	mol1416	Oc1ccc2ccnnc2c1
3.29	IUPAC digitized pKa	1	0	Oc1ccc2cc[nH+]nc2c1,Oc1ccc2ccn[nH+]c2c1	Oc1ccc2ccnnc2c1	mol1416	Oc1ccc2ccnnc2c1
3.31	Datawarrior	1	0	Oc1ccc2cc[nH+]nc2c1,Oc1ccc2ccn[nH+]c2c1	Oc1ccc2ccnnc2c1	mol1416	Oc1ccc2ccnnc2c1
3.3099999	OCHEM	1	0	Oc1ccc2cc[nH+]nc2c1,Oc1ccc2ccn[nH+]c2c1	Oc1ccc2ccnnc2c1	mol1416	Oc1ccc2ccnnc2c1
3.30999994277954	QSARToolbox	1	0	Oc1ccc2cc[nH+]nc2c1,Oc1ccc2ccn[nH+]c2c1	Oc1ccc2ccnnc2c1	mol1416	Oc1ccc2ccnnc2c1