pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.1	AttenGpKa training set	0	-1	CC(C)C[C@H](N)C(=O)NO	CC(C)C[C@H](N)C(=O)[N-]O,CC(C)C[C@H](N)C(=O)N[O-]	mol31404	CC(C)CC(N)C(=O)NO
7.14	AttenGpKa training set	1	0	CC(C)C[C@H]([NH3+])C(=O)NO	CC(C)C[C@H](N)C(=O)NO	mol31404	CC(C)CC(N)C(=O)NO