pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.2	Baltruschat ChEMBL	1	0	CC(C)C1=N[C@@](c2ccccc2)(c2cccc(-c3cnc[nH+]c3)c2)N=C1N,CC(C)C1=[NH+][C@@](c2ccccc2)(c2cccc(-c3cncnc3)c2)N=C1N,CC(C)C1=N[C@@](c2ccccc2)(c2cccc(-c3cncnc3)c2)[NH+]=C1N	CC(C)C1=N[C@@](c2ccccc2)(c2cccc(-c3cncnc3)c2)N=C1N	mol17093	CC(C)C1=NC(c2ccccc2)(c2cccc(-c3cncnc3)c2)N=C1N