pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.56	IUPAC digitized pKa	1	0	COc1nc([NH3+])c2nc(C)c(C)nc2n1,COc1nc(N)c2nc(C)c(C)[nH+]c2n1,COc1nc(N)c2nc(C)c(C)nc2[nH+]1,COc1nc(N)c2[nH+]c(C)c(C)nc2n1,COc1nc2nc(C)c(C)nc2c(N)[nH+]1	COc1nc(N)c2nc(C)c(C)nc2n1	mol8095	COc1nc(N)c2nc(C)c(C)nc2n1