pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.2	Datawarrior	1	0	C#CC(CC)(CC)[NH+](CC)C(C)C	C#CC(CC)(CC)N(CC)C(C)C	mol13694	C#CC(CC)(CC)N(CC)C(C)C
8.1999998	OCHEM	1	0	C#CC(CC)(CC)[NH+](CC)C(C)C	C#CC(CC)(CC)N(CC)C(C)C	mol13694	C#CC(CC)(CC)N(CC)C(C)C