pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.59999990463257	QSARToolbox	0	-1	[NH3+][C@H](C(=O)[O-])C(F)(F)F	N[C@H](C(=O)[O-])C(F)(F)F	mol29315	NC(C(=O)O)C(F)(F)F
5.3	AttenGpKa training set	0	-1	[NH3+][C@H](C(=O)[O-])C(F)(F)F	N[C@H](C(=O)[O-])C(F)(F)F	mol29315	NC(C(=O)O)C(F)(F)F
2.29999995231628	QSARToolbox	1	0	[NH3+][C@H](C(=O)O)C(F)(F)F	[NH3+][C@H](C(=O)[O-])C(F)(F)F	mol29315	NC(C(=O)O)C(F)(F)F
1.2	AttenGpKa training set	1	0	[NH3+][C@H](C(=O)O)C(F)(F)F	[NH3+][C@H](C(=O)[O-])C(F)(F)F	mol29315	NC(C(=O)O)C(F)(F)F