pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.569	IUPAC digitized pKa	1	0	[NH3+]c1cc(I)cc(I)c1	Nc1cc(I)cc(I)c1	mol2207	Nc1cc(I)cc(I)c1
2.498	IUPAC digitized pKa	1	0	[NH3+]c1cc(I)cc(I)c1	Nc1cc(I)cc(I)c1	mol2207	Nc1cc(I)cc(I)c1
2.428	IUPAC digitized pKa	1	0	[NH3+]c1cc(I)cc(I)c1	Nc1cc(I)cc(I)c1	mol2207	Nc1cc(I)cc(I)c1
2.368	IUPAC digitized pKa	1	0	[NH3+]c1cc(I)cc(I)c1	Nc1cc(I)cc(I)c1	mol2207	Nc1cc(I)cc(I)c1
2.304	IUPAC digitized pKa	1	0	[NH3+]c1cc(I)cc(I)c1	Nc1cc(I)cc(I)c1	mol2207	Nc1cc(I)cc(I)c1
2.245	IUPAC digitized pKa	1	0	[NH3+]c1cc(I)cc(I)c1	Nc1cc(I)cc(I)c1	mol2207	Nc1cc(I)cc(I)c1
2.19	IUPAC digitized pKa	1	0	[NH3+]c1cc(I)cc(I)c1	Nc1cc(I)cc(I)c1	mol2207	Nc1cc(I)cc(I)c1
2.133	IUPAC digitized pKa	1	0	[NH3+]c1cc(I)cc(I)c1	Nc1cc(I)cc(I)c1	mol2207	Nc1cc(I)cc(I)c1
2.081	IUPAC digitized pKa	1	0	[NH3+]c1cc(I)cc(I)c1	Nc1cc(I)cc(I)c1	mol2207	Nc1cc(I)cc(I)c1
2.026	IUPAC digitized pKa	1	0	[NH3+]c1cc(I)cc(I)c1	Nc1cc(I)cc(I)c1	mol2207	Nc1cc(I)cc(I)c1
1.978	IUPAC digitized pKa	1	0	[NH3+]c1cc(I)cc(I)c1	Nc1cc(I)cc(I)c1	mol2207	Nc1cc(I)cc(I)c1
2.37	OCHEM	1	0	[NH3+]c1cc(I)cc(I)c1	Nc1cc(I)cc(I)c1	mol2207	Nc1cc(I)cc(I)c1
2.4	OCHEM	1	0	[NH3+]c1cc(I)cc(I)c1	Nc1cc(I)cc(I)c1	mol2207	Nc1cc(I)cc(I)c1
2.4300000667572	QSARToolbox	1	0	[NH3+]c1cc(I)cc(I)c1	Nc1cc(I)cc(I)c1	mol2207	Nc1cc(I)cc(I)c1
2.36999988555908	QSARToolbox	1	0	[NH3+]c1cc(I)cc(I)c1	Nc1cc(I)cc(I)c1	mol2207	Nc1cc(I)cc(I)c1