pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
11.29	AttenGpKa training set	0	-1	CC(C)(C)c1n[nH]c(C(C)(C)C)c1[N+](=O)[O-]	CC(C)(C)c1n[n-]c(C(C)(C)C)c1[N+](=O)[O-]	mol25541	CC(C)(C)c1n[nH]c(C(C)(C)C)c1[N+](=O)[O-]
-0.12	AttenGpKa training set	1	0	CC(C)(C)c1[nH][nH+]c(C(C)(C)C)c1[N+](=O)[O-]	CC(C)(C)c1n[nH]c(C(C)(C)C)c1[N+](=O)[O-]	mol25541	CC(C)(C)c1n[nH]c(C(C)(C)C)c1[N+](=O)[O-]