pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.86	Baltruschat ChEMBL	1	0	FC(F)(F)c1ccc(Nc2nc(CCC[NH+]3CCOCC3)nc3cc(-c4ncccc4C(F)(F)F)ccc23)cc1	FC(F)(F)c1ccc(Nc2nc(CCCN3CCOCC3)nc3cc(-c4ncccc4C(F)(F)F)ccc23)cc1	mol18002	FC(F)(F)c1ccc(Nc2nc(CCCN3CCOCC3)nc3cc(-c4ncccc4C(F)(F)F)ccc23)cc1