pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.26	AttenGpKa training set	0	-1	CC[P@](=O)(O)OC(C)C	CC[P@](=O)([O-])OC(C)C	mol28901	CCP(=O)(O)OC(C)C