pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.5	AttenGpKa training set	1	0	COc1cc2[nH+]c(C)[nH]c2cc1[N+](=O)[O-]	COc1cc2nc(C)[nH]c2cc1[N+](=O)[O-]	mol26510	COc1cc2nc(C)[nH]c2cc1[N+](=O)[O-]