pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.04	OCHEM	1	0	Cn1c[nH+]cc1C[C@@H](NC(=O)CC[NH3+])C(=O)[O-]	Cn1cncc1C[C@@H](NC(=O)CC[NH3+])C(=O)[O-]	mol31784	Cn1cncc1C[C@@H](NC(=O)CCN)C(=O)O
2.64	OCHEM	3	2	Cn1c[nH+]cc1C[C@@H](NC(=[OH+])CC[NH3+])C(=O)O	Cn1c[nH+]cc1C[C@@H](NC(=O)CC[NH3+])C(=O)O	mol31784	Cn1cncc1C[C@@H](NC(=O)CCN)C(=O)O