pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
0.93	AttenGpKa training set	1	0	Nc1[nH+]c([N+](=O)[O-])cs1,[NH3+]c1nc([N+](=O)[O-])cs1	Nc1nc([N+](=O)[O-])cs1	mol25361	Nc1nc([N+](=O)[O-])cs1