pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.90000009536743	QSARToolbox	0	-1	C[C@H](NC(=O)[C@H](CC(=O)[O-])NC(=O)CNC(=O)C[NH3+])C(=O)O,C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)C[NH3+])C(=O)[O-]	C[C@H](NC(=O)[C@H](CC(=O)[O-])NC(=O)CNC(=O)C[NH3+])C(=O)[O-]	mol37275	C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)CN)C(=O)O