pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.10999965667725	QSARToolbox	1	0	NCCCC[C@H]([NH3+])C(=O)NO,N[C@@H](CCCC[NH3+])C(=O)NO	N[C@@H](CCCC[NH3+])C(=O)N[O-],NCCCC[C@H](N)C(=O)NO	mol9835	NCCCC[C@H](N)C(=O)NO
7.93	IUPAC digitized pKa	2	1	[NH3+]CCCC[C@H]([NH3+])C(=O)NO	NCCCC[C@H]([NH3+])C(=O)NO,N[C@@H](CCCC[NH3+])C(=O)NO	mol9835	NCCCC[C@H](N)C(=O)NO
7.98000001907349	QSARToolbox	2	1	[NH3+]CCCC[C@H]([NH3+])C(=O)NO	NCCCC[C@H]([NH3+])C(=O)NO,N[C@@H](CCCC[NH3+])C(=O)NO	mol9835	NCCCC[C@H](N)C(=O)NO
7.9	AttenGpKa training set	2	1	[NH3+]CCCC[C@H]([NH3+])C(=O)NO	NCCCC[C@H]([NH3+])C(=O)NO,N[C@@H](CCCC[NH3+])C(=O)NO	mol9835	NCCCC[C@H](N)C(=O)NO