pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.67000007629395	QSARToolbox	0	-1	COC(=O)c1[nH]c(C)c(C[C@@H](F)C(=O)O)c1C	COC(=O)c1[nH]c(C)c(C[C@@H](F)C(=O)[O-])c1C	mol29646	COC(=O)c1[nH]c(C)c(CC(F)C(=O)O)c1C
2.67	AttenGpKa training set	0	-1	COC(=O)c1[nH]c(C)c(C[C@@H](F)C(=O)O)c1C	COC(=O)c1[nH]c(C)c(C[C@@H](F)C(=O)[O-])c1C	mol29646	COC(=O)c1[nH]c(C)c(CC(F)C(=O)O)c1C