pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.1	Baltruschat ChEMBL	-1	-2	O=C1NC(=O)/C(=C/c2ccc(-c3cc(F)ccc3[O-])o2)S1	O=C1[N-]C(=O)/C(=C/c2ccc(-c3cc(F)ccc3[O-])o2)S1	mol17814	O=C1NC(=O)/C(=C/c2ccc(-c3cc(F)ccc3O)o2)S1