pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.9	AttenGpKa training set	1	0	COCc1cnc(C)nc1[NH3+],COCc1c[nH+]c(C)nc1N,COCc1cnc(C)[nH+]c1N	COCc1cnc(C)nc1N	mol25750	COCc1cnc(C)nc1N