another tweak to sulfone smirks

Author: caodac

src/lychi/LyChIStandardizer.java

@@ -91,8 +91,8 @@ public class LyChIStandardizer {
         "[#6][S!@;X3+:1]([#6])[#8-:2]>>[#6][S:1]([#6])=[O:2]",
         "[#6]C([#6])=[S+:1][#8-:2]>>[#6]C([#6])=[S:1]=[O:2]",
         "[#6][S-:1]([#6])[C+:2]>>[#6][S:1]([#6])=[C:2]",
-        "[*][S!@+:1]([*])([#8-:2])=O>>[*][S:1]([*])(=[O:2])=O",
-        "[#6][S!@+:1]([#6])([#8-:2])=C>>[#6][S:1]([#6])(=C)=[O:2]",
+        "[*][S+:1]([*])([#8-:2])=O>>[*][S:1]([*])(=[O:2])=O",
+        "[#6][S+:1]([#6])([#8-:2])=C>>[#6][S:1]([#6])(=C)=[O:2]",
         "[S!@+:1][O-;X1:2]>>[S:1]=[O:2]",
         "[#6][P+:1]([O;X2])([O;X2])[#8-:2]>>[#6][P:1](O)(O)=[O:2]",
         "[#6][P-:1]([#6])([#6])[C+:2]>>[#6][P:1]([#6])([#6])=[C:2]",

tests/phosphorus.smi

@@ -1,2 +1,3 @@
 OO[C@@H]1CCO[P@+]([O-])(N1)N(CCCl)CCCl	VPAWVRUHMJVRHU-VGDKGRGNSA-N
 OO[C@@H]1CCO[P@](=O)(N1)N(CCCl)CCCl	VPAWVRUHMJVRHU-VGDKGRGNSA-N
+OO[C@@H]1CCO[P+]([O-])(N1)N(CCCl)CCCl	VPAWVRUHMJVRHU-MSSWUJIJSA-N