pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.52	IUPAC digitized pKa	0	-1	NC(=O)CC[C@H]([NH3+])C(=O)NCC(=O)[O-]	NC(=O)CC[C@H](N)C(=O)NCC(=O)[O-]	mol5374	NC(=O)CC[C@H](N)C(=O)NCC(=O)O
3.15	IUPAC digitized pKa	1	0	NC(=O)CC[C@H]([NH3+])C(=O)NCC(=O)O	NC(=O)CC[C@H]([NH3+])C(=O)NCC(=O)[O-]	mol5374	NC(=O)CC[C@H](N)C(=O)NCC(=O)O
3.15000009536743	QSARToolbox	1	0	NC(=O)CC[C@H]([NH3+])C(=O)NCC(=O)O	NC(=O)CC[C@H]([NH3+])C(=O)NCC(=O)[O-]	mol5374	NC(=O)CC[C@H](N)C(=O)NCC(=O)O