pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.65	IUPAC digitized pKa	1	0	[NH3+]c1ccc(F)cc1	Nc1ccc(F)cc1	mol1051	Nc1ccc(F)cc1
4.73	IUPAC digitized pKa	1	0	[NH3+]c1ccc(F)cc1	Nc1ccc(F)cc1	mol1051	Nc1ccc(F)cc1
4.56	IUPAC digitized pKa	1	0	[NH3+]c1ccc(F)cc1	Nc1ccc(F)cc1	mol1051	Nc1ccc(F)cc1
4.48	IUPAC digitized pKa	1	0	[NH3+]c1ccc(F)cc1	Nc1ccc(F)cc1	mol1051	Nc1ccc(F)cc1
4.39	IUPAC digitized pKa	1	0	[NH3+]c1ccc(F)cc1	Nc1ccc(F)cc1	mol1051	Nc1ccc(F)cc1
4.64	IUPAC digitized pKa	1	0	[NH3+]c1ccc(F)cc1	Nc1ccc(F)cc1	mol1051	Nc1ccc(F)cc1
4.53	IUPAC digitized pKa	1	0	[NH3+]c1ccc(F)cc1	Nc1ccc(F)cc1	mol1051	Nc1ccc(F)cc1
4.6399999	OCHEM	1	0	[NH3+]c1ccc(F)cc1	Nc1ccc(F)cc1	mol1051	Nc1ccc(F)cc1
4.585	AttenGpKa training set	1	0	[NH3+]c1ccc(F)cc1	Nc1ccc(F)cc1	mol1051	Nc1ccc(F)cc1