pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.6	IUPAC digitized pKa	1	0	CNCCC(=[NH2+])NO,C[NH2+]CCC(=N)NO	C[NH2+]CCC(=N)N[O-],CNCCC(=N)NO,CNCCC(=[NH2+])N[O-]	mol5847	CNCCC(=N)NO
9.6000004	OCHEM	1	0	CNCCC(=[NH2+])NO,C[NH2+]CCC(=N)NO	C[NH2+]CCC(=N)N[O-],CNCCC(=N)NO,CNCCC(=[NH2+])N[O-]	mol5847	CNCCC(=N)NO
3.6	IUPAC digitized pKa	2	1	C[NH2+]CCC(=[NH2+])NO	CNCCC(=[NH2+])NO,C[NH2+]CCC(=N)NO	mol5847	CNCCC(=N)NO
3.59999990463257	QSARToolbox	2	1	C[NH2+]CCC(=[NH2+])NO	CNCCC(=[NH2+])NO,C[NH2+]CCC(=N)NO	mol5847	CNCCC(=N)NO