pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.2350001	OCHEM	0	-1	CC(C)C[C@@H]([NH3+])C(=O)N[C@H](Cc1c[nH]cn1)C(=O)[O-],CC(C)C[C@@H](N)C(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)[O-]	CC(C)C[C@@H](N)C(=O)N[C@H](Cc1c[nH]cn1)C(=O)[O-]	mol32316	CC(C)CC(N)C(=O)NC(Cc1c[nH]cn1)C(=O)O
2.76	OCHEM	2	1	CC(C)C[C@@H]([NH3+])C(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)O	CC(C)C[C@@H]([NH3+])C(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)[O-]	mol32316	CC(C)CC(N)C(=O)NC(Cc1c[nH]cn1)C(=O)O