pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
11.6	Datawarrior	1	0	CCC(C)(C)[NH2+]C(C)(C)CC	CCC(C)(C)NC(C)(C)CC	mol14066	CCC(C)(C)NC(C)(C)CC
11.6000003814697	QSARToolbox	1	0	CCC(C)(C)[NH2+]C(C)(C)CC	CCC(C)(C)NC(C)(C)CC	mol14066	CCC(C)(C)NC(C)(C)CC