pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.0	IUPAC digitized pKa	0	-1	CC(C)[C@H]([NH3+])C(=O)NCC(=O)[O-]	CC(C)[C@H](N)C(=O)NCC(=O)[O-]	mol5387	CC(C)[C@H](N)C(=O)NCC(=O)O
8.02	IUPAC digitized pKa	0	-1	CC(C)[C@H]([NH3+])C(=O)NCC(=O)[O-]	CC(C)[C@H](N)C(=O)NCC(=O)[O-]	mol5387	CC(C)[C@H](N)C(=O)NCC(=O)O
7.53	IUPAC digitized pKa	0	-1	CC(C)[C@H]([NH3+])C(=O)NCC(=O)[O-]	CC(C)[C@H](N)C(=O)NCC(=O)[O-]	mol5387	CC(C)[C@H](N)C(=O)NCC(=O)O
3.23	IUPAC digitized pKa	1	0	CC(C)[C@H]([NH3+])C(=O)NCC(=O)O	CC(C)[C@H]([NH3+])C(=O)NCC(=O)[O-]	mol5387	CC(C)[C@H](N)C(=O)NCC(=O)O
3.21000003814697	QSARToolbox	1	0	CC(C)[C@H]([NH3+])C(=O)NCC(=O)O	CC(C)[C@H]([NH3+])C(=O)NCC(=O)[O-]	mol5387	CC(C)[C@H](N)C(=O)NCC(=O)O