pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.69	OCHEM	0	-1	O=S(=O)(Nc1ccncc1[S@@+]([O-])c1ccccc1)C(F)(F)F	O=S(=O)([N-]c1ccncc1[S@@+]([O-])c1ccccc1)C(F)(F)F	mol18873	O=S(=O)(Nc1ccncc1[S+]([O-])c1ccccc1)C(F)(F)F
1.0	OCHEM	1	0	O=S(=O)(Nc1cc[nH+]cc1[S@@+]([O-])c1ccccc1)C(F)(F)F,O=S(=O)([NH2+]c1ccncc1[S@@+]([O-])c1ccccc1)C(F)(F)F	O=S(=O)(Nc1ccncc1[S@@+]([O-])c1ccccc1)C(F)(F)F	mol18873	O=S(=O)(Nc1ccncc1[S+]([O-])c1ccccc1)C(F)(F)F