pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.54	IUPAC digitized pKa	0	-1	[NH3+]CCSCCC(=O)[O-]	NCCSCCC(=O)[O-]	mol8482	NCCSCCC(=O)O