pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.96	IUPAC digitized pKa	1	0	CC(C)(O)CCNc1[nH+]cnc2nc[nH]c12,CC(C)(O)CC[NH2+]c1ncnc2nc[nH]c12,CC(C)(O)CCNc1nc[nH+]c2nc[nH]c12,CC(C)(O)CCNc1ncnc2[nH+]c[nH]c12	CC(C)(O)CCNc1ncnc2nc[nH]c12	mol11409	CC(C)(O)CCNc1ncnc2nc[nH]c12