pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.49	AttenGpKa training set	0	-1	CCCCCC[C@@H](CC[C@H](CC)CCCC)O[P@](=O)(O)C(C)C	CCCCCC[C@@H](CC[C@H](CC)CCCC)O[P@](=O)([O-])C(C)C	mol29061	CCCCCCC(CCC(CC)CCCC)OP(=O)(O)C(C)C