pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.35000038146973	QSARToolbox	0	-1	CCC[C@H](N)C(=O)NO,CCC[C@H]([NH3+])C(=O)N[O-]	CCC[C@H](N)C(=O)N[O-],CCC[C@H](N)C(=O)[N-]O	mol31396	CCCC(N)C(=O)NO
9.53	AttenGpKa training set	0	-1	CCC[C@H](N)C(=O)NO,CCC[C@H]([NH3+])C(=O)N[O-]	CCC[C@H](N)C(=O)N[O-],CCC[C@H](N)C(=O)[N-]O	mol31396	CCCC(N)C(=O)NO
7.31	AttenGpKa training set	1	0	CCC[C@H]([NH3+])C(=O)NO	CCC[C@H](N)C(=O)NO,CCC[C@H]([NH3+])C(=O)N[O-]	mol31396	CCCC(N)C(=O)NO