pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.98	IUPAC digitized pKa	0	-1	CC(C)C1=Nc2c(O)nc(O)nc2N(C)[C@H]1C(C)C	CC(C)C1=Nc2c(O)nc([O-])nc2N(C)[C@H]1C(C)C,CC(C)C1=Nc2c([O-])nc(O)nc2N(C)[C@H]1C(C)C	mol8146	CC(C)C1=Nc2c(O)nc(O)nc2N(C)C1C(C)C
0.72	IUPAC digitized pKa	2	1	CC(C)C1=[NH+]c2c([O-])nc(O)[nH+]c2[NH+](C)[C@H]1C(C)C,CC(C)C1=[NH+]c2c(O)nc(O)nc2[NH+](C)[C@H]1C(C)C	CC(C)C1=Nc2c(O)nc(O)nc2[NH+](C)[C@H]1C(C)C,CC(C)C1=Nc2c(O)nc(O)[nH+]c2N(C)[C@H]1C(C)C,CC(C)C1=Nc2c(nc(O)[nH+]c2O)N(C)[C@H]1C(C)C,CC(C)C1=[NH+]c2c(O)nc(O)nc2N(C)[C@H]1C(C)C	mol8146	CC(C)C1=Nc2c(O)nc(O)nc2N(C)C1C(C)C