pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.0500002	OCHEM	0	-1	NC(=O)C[C@H](NC(=O)[C@H]([NH3+])CS)C(=O)[O-]	NC(=O)C[C@H](NC(=O)[C@H](N)CS)C(=O)[O-]	mol32498	NC(=O)CC(NC(=O)C(N)CS)C(=O)O
2.97	OCHEM	1	0	NC(=O)C[C@H](NC(=O)[C@H]([NH3+])CS)C(=O)O	NC(=O)C[C@H](NC(=O)[C@H]([NH3+])CS)C(=O)[O-]	mol32498	NC(=O)CC(NC(=O)C(N)CS)C(=O)O