pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.03	OCHEM	0	-1	CC(C)(C)c1snc(O)c1C[C@@H]([NH3+])C(=O)[O-]	CC(C)(C)c1snc([O-])c1C[C@@H]([NH3+])C(=O)[O-],CC(C)(C)c1snc(O)c1C[C@@H](N)C(=O)[O-]	mol32187	CC(C)(C)c1snc(O)c1CC(N)C(=O)O
2.31	OCHEM	1	0	CC(C)(C)c1snc(O)c1C[C@@H]([NH3+])C(=O)O	CC(C)(C)c1snc(O)c1C[C@@H]([NH3+])C(=O)[O-]	mol32187	CC(C)(C)c1snc(O)c1CC(N)C(=O)O
10.56	OCHEM	-1	-2	CC(C)(C)c1snc([O-])c1C[C@@H]([NH3+])C(=O)[O-],CC(C)(C)c1snc(O)c1C[C@@H](N)C(=O)[O-]	CC(C)(C)c1snc([O-])c1C[C@@H](N)C(=O)[O-]	mol32187	CC(C)(C)c1snc(O)c1CC(N)C(=O)O