pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.85	IUPAC digitized pKa	0	-1	CCCC[C@@H](CC)COP(=O)(O)OC[C@H](CC)CCCC	CCCC[C@@H](CC)COP(=O)([O-])OC[C@H](CC)CCCC	mol12096	CCCCC(CC)COP(=O)(O)OCC(CC)CCCC
2.35	AttenGpKa training set	0	-1	CCCC[C@@H](CC)COP(=O)(O)OC[C@H](CC)CCCC	CCCC[C@@H](CC)COP(=O)([O-])OC[C@H](CC)CCCC	mol12096	CCCCC(CC)COP(=O)(O)OCC(CC)CCCC