pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.44	Baltruschat ChEMBL	1	0	O=[N+]([O-])c1ncn(CCC[NH2+]Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1	O=[N+]([O-])c1ncn(CCCNCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1	mol18901	O=[N+]([O-])c1ncn(CCCNCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1