pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.04	Hunt	2	1	CC1=[NH+][C@](c2cccc(-c3c[nH+]cc(Cl)c3)c2)(C2CC2)N=C1N,CC1=N[C@](c2cccc(-c3c[nH+]cc(Cl)c3)c2)(C2CC2)[NH+]=C1N,CC1=[NH+][C@](c2cccc(-c3cncc(Cl)c3)c2)(C2CC2)[NH+]=C1N	CC1=N[C@](c2cccc(-c3c[nH+]cc(Cl)c3)c2)(C2CC2)N=C1N,CC1=[NH+][C@](c2cccc(-c3cncc(Cl)c3)c2)(C2CC2)N=C1N,CC1=N[C@](c2cccc(-c3cncc(Cl)c3)c2)(C2CC2)[NH+]=C1N	mol564	CC1=N[C@](c2cccc(-c3cncc(Cl)c3)c2)(C2CC2)N=C1N