pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.51	IUPAC digitized pKa	1	0	CCNc1nc(N(CC)CC)nc(OC)[nH+]1,CCNc1nc(OC)nc(N(CC)CC)[nH+]1,CC[NH2+]c1nc(OC)nc(N(CC)CC)n1,CCNc1nc(OC)[nH+]c(N(CC)CC)n1,CCNc1nc(OC)nc([NH+](CC)CC)n1	CCNc1nc(OC)nc(N(CC)CC)n1	mol7629	CCNc1nc(OC)nc(N(CC)CC)n1