pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.24	Datawarrior	1	0	CNCCNCC[NH3+],C[NH2+]CCNCCN,CNCC[NH2+]CCN	CNCCNCCN	mol12511	CNCCNCCN
9.57	Datawarrior	2	1	C[NH2+]CCNCC[NH3+]	CNCCNCC[NH3+],C[NH2+]CCNCCN,CNCC[NH2+]CCN	mol12511	CNCCNCCN
4.64	Datawarrior	3	2	C[NH2+]CC[NH2+]CC[NH3+]	C[NH2+]CCNCC[NH3+]	mol12511	CNCCNCCN
4.6399998664856	QSARToolbox	3	2	C[NH2+]CC[NH2+]CC[NH3+]	C[NH2+]CCNCC[NH3+]	mol12511	CNCCNCCN