pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
11.1999998092651	QSARToolbox	0	-1	C[C@@H](O)C(F)(F)F	C[C@@H]([O-])C(F)(F)F	mol31105	CC(O)C(F)(F)F
11.8000001907349	QSARToolbox	0	-1	C[C@@H](O)C(F)(F)F	C[C@@H]([O-])C(F)(F)F	mol31105	CC(O)C(F)(F)F
11.8	AttenGpKa training set	0	-1	C[C@@H](O)C(F)(F)F	C[C@@H]([O-])C(F)(F)F	mol31105	CC(O)C(F)(F)F