pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.64	IUPAC digitized pKa	0	-1	Oc1ccccc1-c1ccccn1	[O-]c1ccccc1-c1ccccn1	mol2439	Oc1ccccc1-c1ccccn1
10.63	Datawarrior	0	-1	Oc1ccccc1-c1ccccn1	[O-]c1ccccc1-c1ccccn1	mol2439	Oc1ccccc1-c1ccccn1
9.98	Hunt	0	-1	Oc1ccccc1-c1ccccn1	[O-]c1ccccc1-c1ccccn1	mol2439	Oc1ccccc1-c1ccccn1
10.6300001144409	QSARToolbox	0	-1	Oc1ccccc1-c1ccccn1	[O-]c1ccccc1-c1ccccn1	mol2439	Oc1ccccc1-c1ccccn1
4.19	IUPAC digitized pKa	1	0	Oc1ccccc1-c1cccc[nH+]1	Oc1ccccc1-c1ccccn1	mol2439	Oc1ccccc1-c1ccccn1
4.2	Datawarrior	1	0	Oc1ccccc1-c1cccc[nH+]1	Oc1ccccc1-c1ccccn1	mol2439	Oc1ccccc1-c1ccccn1
4.1999998	OCHEM	1	0	Oc1ccccc1-c1cccc[nH+]1	Oc1ccccc1-c1ccccn1	mol2439	Oc1ccccc1-c1ccccn1
4.19000005722046	QSARToolbox	1	0	Oc1ccccc1-c1cccc[nH+]1	Oc1ccccc1-c1ccccn1	mol2439	Oc1ccccc1-c1ccccn1
1.63999998569489	QSARToolbox	1	0	Oc1ccccc1-c1cccc[nH+]1	Oc1ccccc1-c1ccccn1	mol2439	Oc1ccccc1-c1ccccn1
4.19999980926514	QSARToolbox	1	0	Oc1ccccc1-c1cccc[nH+]1	Oc1ccccc1-c1ccccn1	mol2439	Oc1ccccc1-c1ccccn1