pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.58	AttenGpKa training set	0	-1	CCCC[C@@H](CC)C[P@](=O)(O)C[C@@H](CC)CCCC	CCCC[C@@H](CC)C[P@](=O)([O-])C[C@@H](CC)CCCC	mol29045	CCCCC(CC)CP(=O)(O)CC(CC)CCCC