pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.76	IUPAC digitized pKa	0	-1	CCOC(=O)[C@H](C)S[C@H](C)C(=O)O	CCOC(=O)[C@H](C)S[C@H](C)C(=O)[O-]	mol10706	CCOC(=O)C(C)SC(C)C(=O)O
