pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
0.36	IUPAC digitized pKa	1	0	CC1=[NH+]c2c(nc(O)n(C)c2=O)N(CCO)[C@@H]1C,CC1=Nc2c(nc(O)n(C)c2=O)[NH+](CCO)[C@@H]1C,CC1=Nc2c([nH+]c(O)n(C)c2=O)N(CCO)[C@@H]1C	CC1=Nc2c(nc(O)n(C)c2=O)N(CCO)[C@@H]1C	mol8224	CC1=Nc2c(nc(O)n(C)c2=O)N(CCO)C1C
9.93	IUPAC digitized pKa	-2	-3	CC1=Nc2c(nc([O-])n(C)c2=O)N(CC[O-])[C@@H]1C	""	mol8224	CC1=Nc2c(nc(O)n(C)c2=O)N(CCO)C1C