pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.96	OCHEM	1	0	CCCC[NH+](CCCC)CCOC(=O)c1ccc(N)cc1	CCCCN(CCCC)CCOC(=O)c1ccc(N)cc1	mol33578	CCCCN(CCCC)CCOC(=O)c1ccc(N)cc1
8.96000003814697	QSARToolbox	1	0	CCCC[NH+](CCCC)CCOC(=O)c1ccc(N)cc1	CCCCN(CCCC)CCOC(=O)c1ccc(N)cc1	mol33578	CCCCN(CCCC)CCOC(=O)c1ccc(N)cc1