pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.5	OCHEM	0	-1	[NH3+][C@@H](CCCC(F)(F)F)C(=O)[O-]	N[C@@H](CCCC(F)(F)F)C(=O)[O-]	mol33029	NC(CCCC(F)(F)F)C(=O)O
9.46300029754639	QSARToolbox	0	-1	[NH3+][C@@H](CCCC(F)(F)F)C(=O)[O-]	N[C@@H](CCCC(F)(F)F)C(=O)[O-]	mol33029	NC(CCCC(F)(F)F)C(=O)O
2.164	OCHEM	1	0	[NH3+][C@@H](CCCC(F)(F)F)C(=O)O	[NH3+][C@@H](CCCC(F)(F)F)C(=O)[O-]	mol33029	NC(CCCC(F)(F)F)C(=O)O
2.16000008583069	QSARToolbox	1	0	[NH3+][C@@H](CCCC(F)(F)F)C(=O)O	[NH3+][C@@H](CCCC(F)(F)F)C(=O)[O-]	mol33029	NC(CCCC(F)(F)F)C(=O)O
2.16400003433228	QSARToolbox	1	0	[NH3+][C@@H](CCCC(F)(F)F)C(=O)O	[NH3+][C@@H](CCCC(F)(F)F)C(=O)[O-]	mol33029	NC(CCCC(F)(F)F)C(=O)O