pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.03	Datawarrior	1	0	CCSCC[NH+](CC)CC	CCSCCN(CC)CC	mol13118	CCSCCN(CC)CC
9.0299997	OCHEM	1	0	CCSCC[NH+](CC)CC	CCSCCN(CC)CC	mol13118	CCSCCN(CC)CC