pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.5	OCHEM	0	-1	[NH3+]CC1(CC(=O)[O-])CCCCC1	NCC1(CC(=O)[O-])CCCCC1	mol17076	NCC1(CC(=O)O)CCCCC1
9.36999988555908	QSARToolbox	0	-1	[NH3+]CC1(CC(=O)[O-])CCCCC1	NCC1(CC(=O)[O-])CCCCC1	mol17076	NCC1(CC(=O)O)CCCCC1
3.9	OCHEM	1	0	[NH3+]CC1(CC(=O)O)CCCCC1	[NH3+]CC1(CC(=O)[O-])CCCCC1	mol17076	NCC1(CC(=O)O)CCCCC1
4.1	Baltruschat ChEMBL	1	0	[NH3+]CC1(CC(=O)O)CCCCC1	[NH3+]CC1(CC(=O)[O-])CCCCC1	mol17076	NCC1(CC(=O)O)CCCCC1
3.72000002861023	QSARToolbox	1	0	[NH3+]CC1(CC(=O)O)CCCCC1	[NH3+]CC1(CC(=O)[O-])CCCCC1	mol17076	NCC1(CC(=O)O)CCCCC1