pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.68	OCHEM	0	-1	C[C@H](SCS[C@H](C)C(=O)O)C(=O)O	C[C@H](SCS[C@H](C)C(=O)O)C(=O)[O-]	mol33041	CC(SCSC(C)C(=O)O)C(=O)O
3.38000011444092	QSARToolbox	0	-1	C[C@H](SCS[C@H](C)C(=O)O)C(=O)O	C[C@H](SCS[C@H](C)C(=O)O)C(=O)[O-]	mol33041	CC(SCSC(C)C(=O)O)C(=O)O