pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.85000038146973	QSARToolbox	0	-1	Cn1c[nH+]cc1C[C@H](N)C(=O)[O-],Cn1cncc1C[C@H]([NH3+])C(=O)[O-]	Cn1cncc1C[C@H](N)C(=O)[O-]	mol34231	Cn1cncc1C[C@H](N)C(=O)O
6.48000001907349	QSARToolbox	1	0	Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)[O-]	Cn1c[nH+]cc1C[C@H](N)C(=O)[O-],Cn1cncc1C[C@H]([NH3+])C(=O)[O-]	mol34231	Cn1cncc1C[C@H](N)C(=O)O
2.0	QSARToolbox	2	1	Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)O	Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)[O-]	mol34231	Cn1cncc1C[C@H](N)C(=O)O
1.69000005722046	QSARToolbox	2	1	Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)O	Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)[O-]	mol34231	Cn1cncc1C[C@H](N)C(=O)O