pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.4	Baltruschat ChEMBL	1	0	NC1=N[C@@](c2cc[nH+]cc2)(c2cccc(-c3cncnc3)c2)c2ccccc21,NC1=[NH+][C@@](c2ccncc2)(c2cccc(-c3cncnc3)c2)c2ccccc21	NC1=N[C@@](c2ccncc2)(c2cccc(-c3cncnc3)c2)c2ccccc21	mol19690	NC1=NC(c2ccncc2)(c2cccc(-c3cncnc3)c2)c2ccccc21