pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.603	IUPAC digitized pKa	1	0	[NH3+]c1ccccc1	Nc1ccccc1	mol971	Nc1ccccc1
4.686	IUPAC digitized pKa	1	0	[NH3+]c1ccccc1	Nc1ccccc1	mol971	Nc1ccccc1
4.606	IUPAC digitized pKa	1	0	[NH3+]c1ccccc1	Nc1ccccc1	mol971	Nc1ccccc1
4.527	IUPAC digitized pKa	1	0	[NH3+]c1ccccc1	Nc1ccccc1	mol971	Nc1ccccc1
4.445	IUPAC digitized pKa	1	0	[NH3+]c1ccccc1	Nc1ccccc1	mol971	Nc1ccccc1
4.366	IUPAC digitized pKa	1	0	[NH3+]c1ccccc1	Nc1ccccc1	mol971	Nc1ccccc1
4.62	IUPAC digitized pKa	1	0	[NH3+]c1ccccc1	Nc1ccccc1	mol971	Nc1ccccc1
4.63	IUPAC digitized pKa	1	0	[NH3+]c1ccccc1	Nc1ccccc1	mol971	Nc1ccccc1
4.64	IUPAC digitized pKa	1	0	[NH3+]c1ccccc1	Nc1ccccc1	mol971	Nc1ccccc1
4.54	IUPAC digitized pKa	1	0	[NH3+]c1ccccc1	Nc1ccccc1	mol971	Nc1ccccc1
4.6	IUPAC digitized pKa	1	0	[NH3+]c1ccccc1	Nc1ccccc1	mol971	Nc1ccccc1
4.58	IUPAC digitized pKa	1	0	[NH3+]c1ccccc1	Nc1ccccc1	mol971	Nc1ccccc1
4.78	IUPAC digitized pKa	1	0	[NH3+]c1ccccc1	Nc1ccccc1	mol971	Nc1ccccc1
4.596	IUPAC digitized pKa	1	0	[NH3+]c1ccccc1	Nc1ccccc1	mol971	Nc1ccccc1
4.428	IUPAC digitized pKa	1	0	[NH3+]c1ccccc1	Nc1ccccc1	mol971	Nc1ccccc1
4.608	IUPAC digitized pKa	1	0	[NH3+]c1ccccc1	Nc1ccccc1	mol971	Nc1ccccc1
4.872	IUPAC digitized pKa	1	0	[NH3+]c1ccccc1	Nc1ccccc1	mol971	Nc1ccccc1
4.778	IUPAC digitized pKa	1	0	[NH3+]c1ccccc1	Nc1ccccc1	mol971	Nc1ccccc1
4.506	IUPAC digitized pKa	1	0	[NH3+]c1ccccc1	Nc1ccccc1	mol971	Nc1ccccc1
4.416	IUPAC digitized pKa	1	0	[NH3+]c1ccccc1	Nc1ccccc1	mol971	Nc1ccccc1
4.327	IUPAC digitized pKa	1	0	[NH3+]c1ccccc1	Nc1ccccc1	mol971	Nc1ccccc1
4.24	IUPAC digitized pKa	1	0	[NH3+]c1ccccc1	Nc1ccccc1	mol971	Nc1ccccc1
4.16	IUPAC digitized pKa	1	0	[NH3+]c1ccccc1	Nc1ccccc1	mol971	Nc1ccccc1
4.56	IUPAC digitized pKa	1	0	[NH3+]c1ccccc1	Nc1ccccc1	mol971	Nc1ccccc1
4.737	IUPAC digitized pKa	1	0	[NH3+]c1ccccc1	Nc1ccccc1	mol971	Nc1ccccc1
4.731	IUPAC digitized pKa	1	0	[NH3+]c1ccccc1	Nc1ccccc1	mol971	Nc1ccccc1
4.709	IUPAC digitized pKa	1	0	[NH3+]c1ccccc1	Nc1ccccc1	mol971	Nc1ccccc1
2.2	OCHEM	1	0	[NH3+]c1ccccc1	Nc1ccccc1	mol971	Nc1ccccc1
0.7	OCHEM	1	0	[NH3+]c1ccccc1	Nc1ccccc1	mol971	Nc1ccccc1
4.5999999	OCHEM	1	0	[NH3+]c1ccccc1	Nc1ccccc1	mol971	Nc1ccccc1
4.6215	OCHEM	1	0	[NH3+]c1ccccc1	Nc1ccccc1	mol971	Nc1ccccc1