pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.04	Datawarrior	1	0	C=CCNCCC[NH2+]CC=C	C=CCNCCCNCC=C	mol14053	C=CCNCCCNCC=C
8.18	Datawarrior	2	1	C=CC[NH2+]CCC[NH2+]CC=C	C=CCNCCC[NH2+]CC=C	mol14053	C=CCNCCCNCC=C
8.18000030517578	QSARToolbox	2	1	C=CC[NH2+]CCC[NH2+]CC=C	C=CCNCCC[NH2+]CC=C	mol14053	C=CCNCCCNCC=C