pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.7	IUPAC digitized pKa	0	-1	CC(=O)NO	CC(=O)N[O-]	mol8953	CC(=O)NO
9.4	IUPAC digitized pKa	0	-1	CC(=O)NO	CC(=O)N[O-]	mol8953	CC(=O)NO
9.07	Datawarrior	0	-1	CC(=O)NO	CC(=O)N[O-]	mol8953	CC(=O)NO
9.0699997	OCHEM	0	-1	CC(=O)NO	CC(=O)N[O-]	mol8953	CC(=O)NO
9.35000038146973	QSARToolbox	0	-1	CC(=O)NO	CC(=O)N[O-]	mol8953	CC(=O)NO
8.69999980926514	QSARToolbox	0	-1	CC(=O)NO	CC(=O)N[O-]	mol8953	CC(=O)NO
9.39999961853027	QSARToolbox	0	-1	CC(=O)NO	CC(=O)N[O-]	mol8953	CC(=O)NO
9.02000045776367	QSARToolbox	0	-1	CC(=O)NO	CC(=O)N[O-]	mol8953	CC(=O)NO
8.75	QSARToolbox	0	-1	CC(=O)NO	CC(=O)N[O-]	mol8953	CC(=O)NO
9.19999980926514	QSARToolbox	0	-1	CC(=O)NO	CC(=O)N[O-]	mol8953	CC(=O)NO
9.36999988555908	QSARToolbox	0	-1	CC(=O)NO	CC(=O)N[O-]	mol8953	CC(=O)NO
9.01000022888184	QSARToolbox	0	-1	CC(=O)NO	CC(=O)N[O-]	mol8953	CC(=O)NO
9.42000007629395	QSARToolbox	0	-1	CC(=O)NO	CC(=O)N[O-]	mol8953	CC(=O)NO
9.36	AttenGpKa training set	0	-1	CC(=O)NO	CC(=O)N[O-]	mol8953	CC(=O)NO