pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.831	IUPAC digitized pKa	0	-1	[NH3+][C@@H](CC(=O)[O-])C(F)(F)F	N[C@@H](CC(=O)[O-])C(F)(F)F	mol5271	NC(CC(=O)O)C(F)(F)F
5.8	OCHEM	0	-1	[NH3+][C@@H](CC(=O)[O-])C(F)(F)F	N[C@@H](CC(=O)[O-])C(F)(F)F	mol5271	NC(CC(=O)O)C(F)(F)F
5.82200002670288	QSARToolbox	0	-1	[NH3+][C@@H](CC(=O)[O-])C(F)(F)F	N[C@@H](CC(=O)[O-])C(F)(F)F	mol5271	NC(CC(=O)O)C(F)(F)F
2.76	IUPAC digitized pKa	1	0	[NH3+][C@@H](CC(=O)O)C(F)(F)F	[NH3+][C@@H](CC(=O)[O-])C(F)(F)F	mol5271	NC(CC(=O)O)C(F)(F)F
2.75999999046326	QSARToolbox	1	0	[NH3+][C@@H](CC(=O)O)C(F)(F)F	[NH3+][C@@H](CC(=O)[O-])C(F)(F)F	mol5271	NC(CC(=O)O)C(F)(F)F
2.75600004196167	QSARToolbox	1	0	[NH3+][C@@H](CC(=O)O)C(F)(F)F	[NH3+][C@@H](CC(=O)[O-])C(F)(F)F	mol5271	NC(CC(=O)O)C(F)(F)F