pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.24	Datawarrior	1	0	CNCCN(C)CC[NH3+],CNCC[NH+](C)CCN,C[NH2+]CCN(C)CCN	CNCCN(C)CCN	mol13522	CNCCN(C)CCN
9.68	Datawarrior	2	1	C[NH2+]CCN(C)CC[NH3+]	CNCCN(C)CC[NH3+],CNCC[NH+](C)CCN,C[NH2+]CCN(C)CCN	mol13522	CNCCN(C)CCN
3.38	Datawarrior	3	2	C[NH2+]CC[NH+](C)CC[NH3+]	C[NH2+]CCN(C)CC[NH3+]	mol13522	CNCCN(C)CCN
3.38000011444092	QSARToolbox	3	2	C[NH2+]CC[NH+](C)CC[NH3+]	C[NH2+]CCN(C)CC[NH3+]	mol13522	CNCCN(C)CCN