pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.9	Baltruschat ChEMBL	0	-1	O=S(=O)(N[C@H](CO)C(CC(F)(F)F)CC(F)(F)F)c1ccc(Cl)s1	O=S(=O)([N-][C@H](CO)C(CC(F)(F)F)CC(F)(F)F)c1ccc(Cl)s1	mol20641	O=S(=O)(N[C@H](CO)C(CC(F)(F)F)CC(F)(F)F)c1ccc(Cl)s1