pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.1	Baltruschat ChEMBL	1	0	NC1=[NH+][C@](c2ccncc2)(c2cccc(-c3cncc(F)c3)c2)c2cccc(F)c21,NC1=N[C@](c2ccncc2)(c2cccc(-c3c[nH+]cc(F)c3)c2)c2cccc(F)c21,NC1=N[C@](c2cc[nH+]cc2)(c2cccc(-c3cncc(F)c3)c2)c2cccc(F)c21	NC1=N[C@](c2ccncc2)(c2cccc(-c3cncc(F)c3)c2)c2cccc(F)c21	mol19687	NC1=NC(c2ccncc2)(c2cccc(-c3cncc(F)c3)c2)c2cccc(F)c21