pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.1	OCHEM	0	-1	C[C@@H]([C@H]([NH3+])C(=O)[O-])C(F)(F)F	C[C@@H]([C@H](N)C(=O)[O-])C(F)(F)F	mol33032	CC(C(N)C(=O)O)C(F)(F)F
8.97999954223633	QSARToolbox	0	-1	C[C@@H]([C@H]([NH3+])C(=O)[O-])C(F)(F)F	C[C@@H]([C@H](N)C(=O)[O-])C(F)(F)F	mol33032	CC(C(N)C(=O)O)C(F)(F)F
1.537	OCHEM	1	0	C[C@@H]([C@H]([NH3+])C(=O)O)C(F)(F)F	C[C@@H]([C@H]([NH3+])C(=O)[O-])C(F)(F)F	mol33032	CC(C(N)C(=O)O)C(F)(F)F
1.53999996185303	QSARToolbox	1	0	C[C@@H]([C@H]([NH3+])C(=O)O)C(F)(F)F	C[C@@H]([C@H]([NH3+])C(=O)[O-])C(F)(F)F	mol33032	CC(C(N)C(=O)O)C(F)(F)F
1.53699994087219	QSARToolbox	1	0	C[C@@H]([C@H]([NH3+])C(=O)O)C(F)(F)F	C[C@@H]([C@H]([NH3+])C(=O)[O-])C(F)(F)F	mol33032	CC(C(N)C(=O)O)C(F)(F)F