pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.56	IUPAC digitized pKa	1	0	CCCCCCCCNc1nc[nH+]c2[nH]ncc12,CCCCCCCCNc1[nH+]cnc2[nH]ncc12,CCCCCCCC[NH2+]c1ncnc2[nH]ncc12,CCCCCCCCNc1ncnc2[nH][nH+]cc12	CCCCCCCCNc1ncnc2[nH]ncc12	mol4947	CCCCCCCCNc1ncnc2[nH]ncc12