pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
0.36	IUPAC digitized pKa	1	0	CN1c2[nH+]c(O)nc(O)c2N=C(c2ccccc2)[C@H]1c1ccccc1,CN1c2nc(O)[nH+]c(O)c2N=C(c2ccccc2)[C@H]1c1ccccc1,C[NH+]1c2nc(O)nc(O)c2N=C(c2ccccc2)[C@H]1c1ccccc1	CN1c2nc(O)nc(O)c2N=C(c2ccccc2)[C@H]1c1ccccc1	mol8148	CN1c2nc(O)nc(O)c2N=C(c2ccccc2)C1c1ccccc1
9.69	IUPAC digitized pKa	-1	-2	CN1c2nc(O)nc([O-])c2N=C(c2ccccc2)[C@H]1c1ccccc1,CN1c2nc([O-])nc(O)c2N=C(c2ccccc2)[C@H]1c1ccccc1	CN1c2nc([O-])nc([O-])c2N=C(c2ccccc2)[C@H]1c1ccccc1	mol8148	CN1c2nc(O)nc(O)c2N=C(c2ccccc2)C1c1ccccc1