pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.28	IUPAC digitized pKa	0	-1	NC(=O)CC[C@H]([NH3+])C(=O)[O-]	NC(=O)CC[C@H](N)C(=O)[O-]	mol5358	NC(=O)CC[C@H](N)C(=O)O
9.13	IUPAC digitized pKa	0	-1	NC(=O)CC[C@H]([NH3+])C(=O)[O-]	NC(=O)CC[C@H](N)C(=O)[O-]	mol5358	NC(=O)CC[C@H](N)C(=O)O
9.01	IUPAC digitized pKa	0	-1	NC(=O)CC[C@H]([NH3+])C(=O)[O-]	NC(=O)CC[C@H](N)C(=O)[O-]	mol5358	NC(=O)CC[C@H](N)C(=O)O
9.34	IUPAC digitized pKa	0	-1	NC(=O)CC[C@H]([NH3+])C(=O)[O-]	NC(=O)CC[C@H](N)C(=O)[O-]	mol5358	NC(=O)CC[C@H](N)C(=O)O
9.07999992370606	QSARToolbox	0	-1	NC(=O)CC[C@H]([NH3+])C(=O)[O-]	NC(=O)CC[C@H](N)C(=O)[O-]	mol5358	NC(=O)CC[C@H](N)C(=O)O
2.17	IUPAC digitized pKa	2	1	NC(=[OH+])CC[C@H]([NH3+])C(=O)O	NC(=O)CC[C@H]([NH3+])C(=O)O	mol5358	NC(=O)CC[C@H](N)C(=O)O
2.16000008583069	QSARToolbox	2	1	NC(=[OH+])CC[C@H]([NH3+])C(=O)O	NC(=O)CC[C@H]([NH3+])C(=O)O	mol5358	NC(=O)CC[C@H](N)C(=O)O