pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.5	IUPAC digitized pKa	1	0	[NH3+]c1cccc(F)c1	Nc1cccc(F)c1	mol1050	Nc1cccc(F)c1
3.59	IUPAC digitized pKa	1	0	[NH3+]c1cccc(F)c1	Nc1cccc(F)c1	mol1050	Nc1cccc(F)c1
3.66	IUPAC digitized pKa	1	0	[NH3+]c1cccc(F)c1	Nc1cccc(F)c1	mol1050	Nc1cccc(F)c1
3.57	IUPAC digitized pKa	1	0	[NH3+]c1cccc(F)c1	Nc1cccc(F)c1	mol1050	Nc1cccc(F)c1
3.48	IUPAC digitized pKa	1	0	[NH3+]c1cccc(F)c1	Nc1cccc(F)c1	mol1050	Nc1cccc(F)c1
3.42	IUPAC digitized pKa	1	0	[NH3+]c1cccc(F)c1	Nc1cccc(F)c1	mol1050	Nc1cccc(F)c1
3.37	IUPAC digitized pKa	1	0	[NH3+]c1cccc(F)c1	Nc1cccc(F)c1	mol1050	Nc1cccc(F)c1
3.41	IUPAC digitized pKa	1	0	[NH3+]c1cccc(F)c1	Nc1cccc(F)c1	mol1050	Nc1cccc(F)c1
3.39	IUPAC digitized pKa	1	0	[NH3+]c1cccc(F)c1	Nc1cccc(F)c1	mol1050	Nc1cccc(F)c1
3.58	OCHEM	1	0	[NH3+]c1cccc(F)c1	Nc1cccc(F)c1	mol1050	Nc1cccc(F)c1
3.4100001	OCHEM	1	0	[NH3+]c1cccc(F)c1	Nc1cccc(F)c1	mol1050	Nc1cccc(F)c1
3.455	AttenGpKa training set	1	0	[NH3+]c1cccc(F)c1	Nc1cccc(F)c1	mol1050	Nc1cccc(F)c1