pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.1000004	OCHEM	0	-1	O=C1NC(=O)[C@H](CSSC[C@@H]2NC(=O)NC2=O)N1	O=C1[N-]C(=O)[C@H](CSSC[C@@H]2NC(=O)NC2=O)N1,O=C1[N-][C@@H](CSSC[C@@H]2NC(=O)NC2=O)C(=O)N1	mol32442	O=C1NC(=O)C(CSSCC2NC(=O)NC2=O)N1