pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.27	AttenGpKa training set	0	-1	CC(C)(C)c1n[nH]cc1[N+](=O)[O-]	CC(C)(C)c1n[n-]cc1[N+](=O)[O-]	mol25415	CC(C)(C)c1n[nH]cc1[N+](=O)[O-]