pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
11.01	Datawarrior	1	0	CCCCCC[NH2+]CCCCCC	CCCCCCNCCCCCC	mol936	CCCCCCNCCCCCC
11.0	OCHEM	1	0	CCCCCC[NH2+]CCCCCC	CCCCCCNCCCCCC	mol936	CCCCCCNCCCCCC
11.1000003814697	QSARToolbox	1	0	CCCCCC[NH2+]CCCCCC	CCCCCCNCCCCCC	mol936	CCCCCCNCCCCCC