pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.2	AttenGpKa training set	0	-1	C[P@@](=O)(O)OC1CCCCC1	C[P@@](=O)([O-])OC1CCCCC1	mol28924	CP(=O)(O)OC1CCCCC1