pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.04999995231628	QSARToolbox	1	0	CSCC[C@H](NC(=O)CNC(=O)[C@@H]([NH3+])CCSC)C(=O)O	CSCC[C@H](NC(=O)CNC(=O)[C@@H]([NH3+])CCSC)C(=O)[O-]	mol37720	CSCC[C@H](NC(=O)CNC(=O)[C@@H](N)CCSC)C(=O)O