pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.17	IUPAC digitized pKa	1	0	[NH3+]c1ccc(S(F)(F)(F)(F)F)cc1	Nc1ccc(S(F)(F)(F)(F)F)cc1	mol6070	Nc1ccc(S(F)(F)(F)(F)F)cc1
2.37	AttenGpKa training set	1	0	[NH3+]c1ccc(S(F)(F)(F)(F)F)cc1	Nc1ccc(S(F)(F)(F)(F)F)cc1	mol6070	Nc1ccc(S(F)(F)(F)(F)F)cc1