pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.25	AttenGpKa training set	1	0	Nc1ccc(/C=C/c2cc[nH+]cc2)cc1,[NH3+]c1ccc(/C=C/c2ccncc2)cc1	Nc1ccc(/C=C/c2ccncc2)cc1	mol25110	Nc1ccc(/C=C/c2ccncc2)cc1