pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
0.21	IUPAC digitized pKa	2	1	COc1[nH+]c(N)[nH+]c2c1ncc(=O)n2C,COc1nc([NH3+])nc2c1[nH+]cc(=O)n2C,COc1nc(N)[nH+]c2c1[nH+]cc(=O)n2C,COc1[nH+]c(N)nc2c1[nH+]cc(=O)n2C	COc1nc([NH3+])nc2c1ncc(=O)n2C,COc1[nH+]c(N)nc2c1ncc(=O)n2C,COc1nc(N)nc2c1[nH+]cc(=O)n2C,COc1nc(N)[nH+]c2c1ncc(=O)n2C	mol8063	COc1nc(N)nc2c1ncc(=O)n2C