pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.44	Datawarrior	1	0	C#CC[NH+]1CCN(C(=O)OCC)CC1	C#CCN1CCN(C(=O)OCC)CC1	mol3966	C#CCN1CCN(C(=O)OCC)CC1
5.4400001	OCHEM	1	0	C#CC[NH+]1CCN(C(=O)OCC)CC1	C#CCN1CCN(C(=O)OCC)CC1	mol3966	C#CCN1CCN(C(=O)OCC)CC1