pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.14	IUPAC digitized pKa	1	0	COC1=Nc2c([NH3+])nc(N)nc2NC1,COC1=[NH+]c2c(N)nc(N)nc2NC1,COC1=Nc2c(nc(N)[nH+]c2N)NC1,COC1=Nc2c(N)nc(N)nc2[NH2+]C1,COC1=Nc2c(N)nc(N)[nH+]c2NC1,COC1=Nc2c(N)nc([NH3+])nc2NC1	COC1=Nc2c(N)nc(N)nc2NC1	mol8127	COC1=Nc2c(N)nc(N)nc2NC1