pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.74	IUPAC digitized pKa	0	-1	N[C@@H]1CONC1=O	N[C@@H]1CO[N-]C1=O	mol8507	N[C@@H]1CONC1=O
7.43	IUPAC digitized pKa	0	-1	N[C@@H]1CONC1=O	N[C@@H]1CO[N-]C1=O	mol8507	N[C@@H]1CONC1=O
7.29	IUPAC digitized pKa	0	-1	N[C@@H]1CONC1=O	N[C@@H]1CO[N-]C1=O	mol8507	N[C@@H]1CONC1=O
7.2	IUPAC digitized pKa	0	-1	N[C@@H]1CONC1=O	N[C@@H]1CO[N-]C1=O	mol8507	N[C@@H]1CONC1=O
7.31	AttenGpKa training set	0	-1	N[C@@H]1CONC1=O	N[C@@H]1CO[N-]C1=O	mol8507	N[C@@H]1CONC1=O
4.5	IUPAC digitized pKa	1	0	[NH3+][C@@H]1CONC1=O	N[C@@H]1CONC1=O	mol8507	N[C@@H]1CONC1=O
4.46	IUPAC digitized pKa	1	0	[NH3+][C@@H]1CONC1=O	N[C@@H]1CONC1=O	mol8507	N[C@@H]1CONC1=O
4.44	IUPAC digitized pKa	1	0	[NH3+][C@@H]1CONC1=O	N[C@@H]1CONC1=O	mol8507	N[C@@H]1CONC1=O
4.53	AttenGpKa training set	1	0	[NH3+][C@@H]1CONC1=O	N[C@@H]1CONC1=O	mol8507	N[C@@H]1CONC1=O