pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.49	Datawarrior	0	-1	[NH3+]CC(=O)N1CCC[C@@H]1C(=O)[O-]	NCC(=O)N1CCC[C@@H]1C(=O)[O-]	mol12629	NCC(=O)N1CCCC1C(=O)O
8.4899998	OCHEM	0	-1	[NH3+]CC(=O)N1CCC[C@@H]1C(=O)[O-]	NCC(=O)N1CCC[C@@H]1C(=O)[O-]	mol12629	NCC(=O)N1CCCC1C(=O)O
2.95	Datawarrior	1	0	[NH3+]CC(=O)N1CCC[C@@H]1C(=O)O	[NH3+]CC(=O)N1CCC[C@@H]1C(=O)[O-]	mol12629	NCC(=O)N1CCCC1C(=O)O
2.83999991416931	QSARToolbox	1	0	[NH3+]CC(=O)N1CCC[C@@H]1C(=O)O	[NH3+]CC(=O)N1CCC[C@@H]1C(=O)[O-]	mol12629	NCC(=O)N1CCCC1C(=O)O