pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.54	IUPAC digitized pKa	1	0	CCCNc1ncnc2[nH][nH+]cc12,CCC[NH2+]c1ncnc2[nH]ncc12,CCCNc1[nH+]cnc2[nH]ncc12,CCCNc1nc[nH+]c2[nH]ncc12	CCCNc1ncnc2[nH]ncc12	mol4963	CCCNc1ncnc2[nH]ncc12