pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
11.38	IUPAC digitized pKa	0	-1	Nc1cnccc1O,Nc1c[nH+]ccc1[O-]	Nc1cnccc1[O-]	mol1591	Nc1cnccc1O
11.27	IUPAC digitized pKa	0	-1	Nc1cnccc1O,Nc1c[nH+]ccc1[O-]	Nc1cnccc1[O-]	mol1591	Nc1cnccc1O
11.3800001144409	QSARToolbox	0	-1	Nc1cnccc1O,Nc1c[nH+]ccc1[O-]	Nc1cnccc1[O-]	mol1591	Nc1cnccc1O
3.84	IUPAC digitized pKa	1	0	[NH3+]c1cnccc1O,Nc1c[nH+]ccc1O	Nc1cnccc1O,Nc1c[nH+]ccc1[O-]	mol1591	Nc1cnccc1O
3.86	IUPAC digitized pKa	1	0	[NH3+]c1cnccc1O,Nc1c[nH+]ccc1O	Nc1cnccc1O,Nc1c[nH+]ccc1[O-]	mol1591	Nc1cnccc1O
3.83999991416931	QSARToolbox	1	0	[NH3+]c1cnccc1O,Nc1c[nH+]ccc1O	Nc1cnccc1O,Nc1c[nH+]ccc1[O-]	mol1591	Nc1cnccc1O
0.04	IUPAC digitized pKa	2	1	[NH3+]c1c[nH+]ccc1O	[NH3+]c1cnccc1O,Nc1c[nH+]ccc1O	mol1591	Nc1cnccc1O
0.400000005960465	QSARToolbox	2	1	[NH3+]c1c[nH+]ccc1O	[NH3+]c1cnccc1O,Nc1c[nH+]ccc1O	mol1591	Nc1cnccc1O