pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
12.29	IUPAC digitized pKa	0	-1	NC[C@@H](O)C(F)(F)F	NC[C@@H]([O-])C(F)(F)F	mol9109	NCC(O)C(F)(F)F
12.289999961853	QSARToolbox	0	-1	NC[C@@H](O)C(F)(F)F	NC[C@@H]([O-])C(F)(F)F	mol9109	NCC(O)C(F)(F)F