pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.34999990463257	QSARToolbox	4	3	[NH3+]CCC[NH+]1CCOCC[NH+](CCC[NH3+])CCSCC1	[NH3+]CCCN1CCOCC[NH+](CCC[NH3+])CCSCC1,NCCC[NH+]1CCOCC[NH+](CCC[NH3+])CCSCC1	mol35254	NCCCN1CCOCCN(CCCN)CCSCC1