pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
0.84	AttenGpKa training set	1	0	C[NH2+]c1c(Cl)cccc1[N+](=O)[O-]	CNc1c(Cl)cccc1[N+](=O)[O-]	mol23841	CNc1c(Cl)cccc1[N+](=O)[O-]