pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.02	IUPAC digitized pKa	0	-1	CCSCC[C@@H]([NH3+])C(=O)[O-]	CCSCC[C@@H](N)C(=O)[O-]	mol8524	CCSCCC(N)C(=O)O
8.82999992370606	QSARToolbox	0	-1	CCSCC[C@@H]([NH3+])C(=O)[O-]	CCSCC[C@@H](N)C(=O)[O-]	mol8524	CCSCCC(N)C(=O)O