pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.97	AttenGpKa training set	1	0	Nc1ccc(/C=C/c2cccc(/C=C/c3ccc([NH3+])cc3)n2)cc1,Nc1ccc(/C=C/c2cccc(/C=C/c3ccc(N)cc3)[nH+]2)cc1	Nc1ccc(/C=C/c2cccc(/C=C/c3ccc(N)cc3)n2)cc1	mol25146	Nc1ccc(/C=C/c2cccc(/C=C/c3ccc(N)cc3)n2)cc1