pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.3	IUPAC digitized pKa	1	0	[NH3+]c1ccc(Br)cc1Br	Nc1ccc(Br)cc1Br	mol2066	Nc1ccc(Br)cc1Br
1.867	IUPAC digitized pKa	1	0	[NH3+]c1ccc(Br)cc1Br	Nc1ccc(Br)cc1Br	mol2066	Nc1ccc(Br)cc1Br
1.87	AttenGpKa training set	1	0	[NH3+]c1ccc(Br)cc1Br	Nc1ccc(Br)cc1Br	mol2066	Nc1ccc(Br)cc1Br