pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.2	Baltruschat ChEMBL	1	0	NC1=N[C@@](c2cccc(-c3cncnc3)c2)(c2cc[nH+]c(C(F)F)c2)c2cc(F)cc(F)c21,NC1=[NH+][C@@](c2cccc(-c3cncnc3)c2)(c2ccnc(C(F)F)c2)c2cc(F)cc(F)c21,NC1=N[C@@](c2cccc(-c3cnc[nH+]c3)c2)(c2ccnc(C(F)F)c2)c2cc(F)cc(F)c21	NC1=N[C@@](c2cccc(-c3cncnc3)c2)(c2ccnc(C(F)F)c2)c2cc(F)cc(F)c21	mol19679	NC1=N[C@@](c2cccc(-c3cncnc3)c2)(c2ccnc(C(F)F)c2)c2cc(F)cc(F)c21