pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
11.5	Baltruschat ChEMBL	0	-1	NC/C(=N\O)c1ccc(Sc2cc(F)cc(C3CCOCC3)c2)cc1,[NH3+]C/C(=N\[O-])c1ccc(Sc2cc(F)cc(C3CCOCC3)c2)cc1	NC/C(=N\[O-])c1ccc(Sc2cc(F)cc(C3CCOCC3)c2)cc1	mol21222	NC/C(=N\O)c1ccc(Sc2cc(F)cc(C3CCOCC3)c2)cc1