pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.35000038146973	QSARToolbox	0	-1	C[C@H]([NH3+])C(=O)N[O-],C[C@H](N)C(=O)NO	C[C@H](N)C(=O)N[O-]	mol9069	CC(N)C(=O)NO
9.18000030517578	QSARToolbox	0	-1	C[C@H]([NH3+])C(=O)N[O-],C[C@H](N)C(=O)NO	C[C@H](N)C(=O)N[O-]	mol9069	CC(N)C(=O)NO
9.255	AttenGpKa training set	0	-1	C[C@H]([NH3+])C(=O)N[O-],C[C@H](N)C(=O)NO	C[C@H](N)C(=O)N[O-]	mol9069	CC(N)C(=O)NO
7.25	IUPAC digitized pKa	1	0	C[C@H]([NH3+])C(=O)NO	C[C@H]([NH3+])C(=O)N[O-],C[C@H](N)C(=O)NO	mol9069	CC(N)C(=O)NO
7.44000005722046	QSARToolbox	1	0	C[C@H]([NH3+])C(=O)NO	C[C@H]([NH3+])C(=O)N[O-],C[C@H](N)C(=O)NO	mol9069	CC(N)C(=O)NO
7.195	AttenGpKa training set	1	0	C[C@H]([NH3+])C(=O)NO	C[C@H]([NH3+])C(=O)N[O-],C[C@H](N)C(=O)NO	mol9069	CC(N)C(=O)NO