pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.6	IUPAC digitized pKa	1	0	CCCC[NH2+]CCC(N)=NO	CCCCNCCC(N)=NO,CCCC[NH2+]CCC(N)=N[O-]	mol5909	CCCCNCCC(N)=NO
9.6000004	OCHEM	1	0	CCCC[NH2+]CCC(N)=NO	CCCCNCCC(N)=NO,CCCC[NH2+]CCC(N)=N[O-]	mol5909	CCCCNCCC(N)=NO
3.75	IUPAC digitized pKa	2	1	CCCC[NH2+]CCC(N)=[NH+]O	CCCC[NH2+]CCC(N)=NO	mol5909	CCCCNCCC(N)=NO
