pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.9	Baltruschat ChEMBL	2	1	CC(C)C1=[NH+][C@](C)(c2cccc(-c3cccnc3)c2)[NH+]=C1N	CC(C)C1=N[C@](C)(c2cccc(-c3ccc[nH+]c3)c2)N=C1N,CC(C)C1=[NH+][C@](C)(c2cccc(-c3cccnc3)c2)N=C1N,CC(C)C1=N[C@](C)(c2cccc(-c3cccnc3)c2)[NH+]=C1N	mol17096	CC(C)C1=NC(C)(c2cccc(-c3cccnc3)c2)N=C1N