pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.69999980926514	QSARToolbox	0	-1	CC[C@H](C)[C@H](NC(=O)[C@@H]([NH3+])CNC(=O)[C@H](C)NC(C)=O)C(=O)NCC(=O)[O-]	CC[C@H](C)[C@H](NC(=O)[C@@H](N)CNC(=O)[C@H](C)NC(C)=O)C(=O)NCC(=O)[O-]	mol37636	CC[C@H](C)[C@H](NC(=O)[C@@H](N)CNC(=O)[C@H](C)NC(C)=O)C(=O)NCC(=O)O