pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.77	IUPAC digitized pKa	1	0	CCCO[P@@](C)(=O)SCC[NH+](C)C	CCCO[P@@](C)(=O)SCCN(C)C	mol5845	CCCOP(C)(=O)SCCN(C)C