pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.9	OCHEM	0	-1	C[C@@H](C[C@H]([NH3+])C(=O)[O-])C(F)(F)F	C[C@@H](C[C@H](N)C(=O)[O-])C(F)(F)F	mol33030	CC(CC(N)C(=O)O)C(F)(F)F
8.94200038909912	QSARToolbox	0	-1	C[C@@H](C[C@H]([NH3+])C(=O)[O-])C(F)(F)F	C[C@@H](C[C@H](N)C(=O)[O-])C(F)(F)F	mol33030	CC(CC(N)C(=O)O)C(F)(F)F
2.045	OCHEM	1	0	C[C@@H](C[C@H]([NH3+])C(=O)O)C(F)(F)F	C[C@@H](C[C@H]([NH3+])C(=O)[O-])C(F)(F)F	mol33030	CC(CC(N)C(=O)O)C(F)(F)F
2.45000004768372	QSARToolbox	1	0	C[C@@H](C[C@H]([NH3+])C(=O)O)C(F)(F)F	C[C@@H](C[C@H]([NH3+])C(=O)[O-])C(F)(F)F	mol33030	CC(CC(N)C(=O)O)C(F)(F)F
2.03999996185303	QSARToolbox	1	0	C[C@@H](C[C@H]([NH3+])C(=O)O)C(F)(F)F	C[C@@H](C[C@H]([NH3+])C(=O)[O-])C(F)(F)F	mol33030	CC(CC(N)C(=O)O)C(F)(F)F