CONTROL:
"!ClBrN1;Cl,Br,N"
"!ClBr1;Cl,Br"
"!M191;[Zn],[Cd],[Mn]"
"!M192;[Sr],[Cr],[Zr]"
"!Hlg;F,Cl,Br,I"
"!M10;[Li],[Na],K,[Rb],[Cs],[Sr],N{H4}"
"!M15;[Be],[Ca],[Mg],[Sr],[Ba]"
"!M17;[Pb],[Ti]"
"!M18;[Al],[Mn],[Cr],[Bi],[Sc],[Ga],[In],[Gd],[Lu],[Sb],[Fe],[Ce],[Yb],[Nd]"
"!M19;[Cu],[Zn],[Co],[Fe],[Ni],[Cd],[Mn],[Ag],[Hg]"
"!MN2;[Cu],[Zn],[Sr],[Co],[Cr],[Fe],[Ni],[Cd],[Zr],[Mn],[Hg]"
"!OF1;O,F"
"!AK;C,N"
"!AN;F,Cl,Br,I,O,S,B,N(=O)(=O)O,O=S(=O)(O)O,O=P(O)(O)O"
"!M1;[Li],[Na],[K],N{H4},[Rb],[Cs],[Sr{H}],[Cu{H}],[Zn{H}],[Co{H}],[Fe{V2}{H}],[Ni{H}],[Cd{H}],[Mn{{V2}{H}],[Ag],[Hg{H}]"
"!M2;[Be],[Ca],[Mg],[Ba],[Sr]"
"!M3;[Al],[Mn],[Cr],[Bi],[Sc],[Ga],[In],[Gd],[Lu],[Sb],[Fe],[Ce],[Yb],[Nd]"
"!M4;[Ce],[Pb],[Ti]"
"!Ox;O,S{V2},P,N{V3},[B],F,Cl,Br,I"
"!Oy;O,S,N,F,Cl,Br,I"

ID	Type	P	Probability_Group	ExpertGroup	Source	Forbidden	TotalForbidden	Product	TransformationName	Reliability	Comment	ModelName	MetabolizeWay	ExpertTransformation	EnzymList	ForbbidenIDsInLowerLevel	Kinetic Type	Model information
1	Abiotic	1.000000	0	0	N{V5}{ar}{+}O{-}	R{+}.O{-} R{2+}.O{-} R{3+}.O{-} R.O{-} R{4+}.O{-}	-	N{V5}{ar}=O		1.0000|0|0				0			Constant	
2	Abiotic	1.000000	0	0	C{-}N{+}#N	-	-	C=N#N		1.0000|0|0				0			Constant	
3	Abiotic	1.000000	0	0	N{-}=N{+}=N	-	-	N#N=N		1.0000|0|0				0			Constant	
4	Abiotic	1.000000	0	0	N{+}(=O)O{-}	R{+}.O{-} R{2+}.O{-} R{3+}.O{-} R{4+}.O{-} R.O{-} R{2+}.Cl{-} R{3+}.Cl{-} Cl{3+}(.Cl{-}).Cl{-}	-	N(=O)=O		1.0000|0|0				0			Constant	
5	Abiotic	1.000000	0	0	C(=O)N{-}N{+}#N	-	-	C(=O)N=N#N		1.0000|0|0				0			Constant	
6	Abiotic	1.000000	0	0	C(=O)(O{-})C(C)N{+}{H3}	R{+}.O{-} R{2+}.O{-} R{3+}.O{-} R.O{-} R{4+}.O{-} N{+}	-	C(=O)(O{H})C(C)N{H2}		1.0000|0|0				0			Constant	
7	Abiotic	1.000000	0	0	CS{+}(C)O{-}	R{+}.O{-} R{2+}.O{-} R{3+}.O{-} R.O{-} R{4+}.O{-} N{+}	-	CS(C)=O		1.0000|0|0				0			Constant	
8	Abiotic	1.000000	0	0	CN{+}(C)(C)O{-}	R{+}.O{-} R{2+}.O{-} R{3+}.O{-} R.O{-} R{4+}.O{-} N{+}	-	CN(C)(C)=O		1.0000|0|0				0			Constant	
9	Abiotic	1.000000	0	0	CS{2+}(O{-})(O{-})O	R{+}.O{-} R{2+}.O{-} R{3+}.O{-} R.O{-} R{4+}.O{-} N{+}	-	CS(=O)(=O)O		1.0000|0|0				0			Constant	
10	Abiotic	1.000000	0	0	CS{2+}(C)(O{-})O{-}	R{+}.O{-} R{2+}.O{-} R{3+}.O{-} R.O{-} R{4+}.O{-} N{+}	-	CS(C)(=O)=O		1.0000|0|0				0			Constant	
11	Abiotic	1.000000	0	0	CS(C)(O{-})O{-}	R{+}.O{-} R{2+}.O{-} R{3+}.O{-} R.O{-} R{4+}.O{-} N{+}	-	CS(C)(=O)=O		1.0000|0|0				0			Constant	
12	Abiotic	1.000000	0	0	N=N{+}O{-}	R{+}.O{-} R{2+}.O{-} R{3+}.O{-} R.O{-} R{4+}.O{-}	-	N=N=O		1.0000|0|0				0			Constant	
13	Abiotic	1.000000	0	0	N=N{+}N{-}	-	-	N=N=N		1.0000|0|0				0			Constant	
14	Abiotic	1.000000	0	0	C=N{+}N{-}	-	-	C=N=N		1.0000|0|0				0			Constant	
15	Abiotic	1.000000	0	0	C=N{+}C{-}	-	-	C=N=C		1.0000|0|0				0			Constant	
16	Abiotic	1.000000	0	0	C=N{+}O{-}	R{+}.O{-} R{2+}.O{-} R{3+}.O{-} R.O{-} R{4+}.O{-} N{+}	-	C=N=O		1.0000|0|0				0			Constant	
17	Abiotic	1.000000	0	0	C#N{+}N{-}	-	-	C#N=N		1.0000|0|0				0			Constant	
18	Abiotic	1.000000	0	0	C#N{+}O{-}	R{+}.O{-} R{2+}.O{-} R{3+}.O{-} R.O{-} R{4+}.O{-} N{+}	-	C#N=O		1.0000|0|0				0			Constant	
19	Abiotic	1.000000	0	0	C#N{+}C{-}	-	-	C#N=C		1.0000|0|0				0			Constant	
20	Abiotic	1.000000	0	0	CP{+}(C)(C)O{-}	-	-	CP(C)(C)=O		1.0000|0|0				0			Constant	
21	Abiotic	1.000000	0	0	N{+}(=O)(O{-})O	-	-	N(=O)(=O)O		1.0000|0|0				0			Constant	
22	Abiotic	1.000000	0	0	C{+}O{-}	-	-	C=O		1.0000|0|0				0			Constant	
23	Abiotic	1.000000	0	0	CO{-}	R{+}.O{-} R{2+}.O{-} R{3+}.O{-} R.O{-} R{4+}.O{-} N{+}	N{+}	CO{H}		1.0000|0|0				0			Constant	
24	Abiotic	1.000000	0	0	C{-}P{+}(C)(C)C	-	-	C=P(C)(C)C		1.0000|0|0				0			Constant	
25	Abiotic	1.000000	0	0	O=S(=O)O{-}	R{+}.O{-} R{2+}.O{-} R{3+}.O{-} R.O{-} R{4+}.O{-} N{+}	N{+}	O=S(=O)O{H}		1.0000|0|0				0			Constant	
26	Abiotic	1.000000	0	0	O{-}P{V5}	R{+}.O{-} R{2+}.O{-} R{3+}.O{-} R.O{-} R{4+}.O{-} N{+}	N{+}	P{V5}O{H}		1.0000|0|0				0			Constant	
27	Abiotic	1.000000	0	0	O{-}P{V3}	R{+}.O{-} R{2+}.O{-} R{3+}.O{-} R.O{-} R{4+}.O{-} N{+}	N{+}	P{V3}O{H}		1.0000|0|0				0			Constant	
28	Abiotic	1.000000	0	0	C(=O)O{-}	R{+}.O{-} R{2+}.O{-} R{3+}.O{-} R.O{-} R{4+}.O{-} N{+} N{+}	N{+}	C(=O)O{H}		1.0000|0|0				0			Constant	
41	Abiotic	1.000000	0	0	N{V5}ON(=O)=O	-	-	N{V5}{+}.O{-}N(=O)=O		1.0000|0|0				0			Constant	
44	Abiotic	1.000000	0	0	N{+}(AK)(AK)(AK)AN	-	-	N{H}(AK)(AK)(AK)AN		1.0000|0|0				0			Constant	
45	Abiotic	1.000000	0	0	N{H}(AK)(AK)(AK)AN	N(=O)=O	-	N{H}{+}(AK)(AK)(AK).AN{-}		1.0000|0|0				0			Constant	
46	Abiotic	1.000000	0	0	N{+}(=AK)(AK)AN	AK=N{V5}{+}.O{-}	-	N{H}(=AK)(AK)AN		1.0000|0|0				0			Constant	
47	Abiotic	1.000000	0	0	N{H}(=AK)(AK)AN	N(=O)=O	-	N{H}{+}(=AK)(AK).AN{-}		1.0000|0|0				0			Constant	
48	Abiotic	1.000000	0	0	N{+}(#C)AN	-	-	N{H}(#C)AN		1.0000|0|0				0			Constant	
49	Abiotic	1.000000	0	0	N{H}(#C)AN	N(=O)=O	-	N{H}{+}(#C).AN{-}		1.0000|0|0				0			Constant	
50	Abiotic	1.000000	0	0	N(=AK)(AK)(AN)AK	N(=O)=O	-	N{+}(=AK)(AK)(.AN{-})AK		1.0000|0|0				0			Constant	
51	Abiotic	1.000000	0	0	N(AK)(AK)(AK)(AN)AK	N(=O)=O	-	N{+}(AK)(AK)(AK)(.AN{-})AK		1.0000|0|0				0			Constant	
52	Abiotic	1.000000	0	0	N(#C)(AN)AK	N(=O)=O	-	N{+}(#C)(.AN{-})AK		1.0000|0|0				0			Constant	
53	Abiotic	1.000000	0	0	N(=AK)(AN)=AK	N(=O)=O	-	N{+}(=AK)(.AN{-})=AK		1.0000|0|0				0			Constant	
54	Abiotic	1.000000	0	0	c1cn(AN)(AK)ccc1	N(=O)=O	-	c1cn{+}(.AN{-})(AK)ccc1		1.0000|0|0				0			Constant	
55	Abiotic	1.000000	0	0	c1cn{H}(AN)ccc1	N(=O)=O	-	c1cn{H}{+}(.AN{-})ccc1		1.0000|0|0				0			Constant	
56	Abiotic	1.000000	0	0	c1cn{+}(AN)ccc1	N(=O)=O	-	c1cn{H}(AN)ccc1		1.0000|0|0				0			Constant	
57	Abiotic	1.000000	0	0	M10Ox	OC(C)O OC{H}C	M10(R)(R)(R)R	M10{+}.Ox{-}		1.0000|0|0				0			Constant	
58	Abiotic	1.000000	0	0	M19OF1	OC(C)O OC{H}C	M191(R)(R)(R)R	M19{+}.OF1{-}		1.0000|0|0				0			Constant	
60	Abiotic	1.000000	0	0	OyM15	[Be]S [Be]I OC{H}C OC(C)O	M15(R)(R)(R)R	Oy{-}.M15{+}		1.0000|0|0				0			Constant	
61	Abiotic	1.000000	0	0	OyM15{+}	[Be]S [Be]I OC{H}C OC(C)O	M15(R)(R)(R)R	Oy{-}.M15{+}		1.0000|0|0				0			Constant	
59	Abiotic	1.000000	0	0	M191ClBr1	[Cd]Br OC{H}C OC(C)O	M191(R)(R)(R)R	M191{+}.ClBr1{-}		1.0000|0|0				0			Constant	
62	Abiotic	1.000000	0	0	M18OF1	OC{H}C OC(C)O	M18(R)(R)(R)R	M18{+}.OF1{-}		1.0000|0|0				0			Constant	
63	Abiotic	1.000000	0	0	M18{+}OF1	OC{H}C OC(C)O	M18(R)(R)(R)R	M18{2+}.OF1{-}		1.0000|0|0				0			Constant	
64	Abiotic	1.000000	0	0	M18{2+}OF1	OC{H}C OC(C)O	M18(R)(R)(R)R	M18{3+}.OF1{-}		1.0000|0|0				0			Constant	
65	Abiotic	1.000000	0	0	M19{+}OF1	[Ag] OC{H}C OC(C)O	M19(R)(R)(R)R	M19{2+}.OF1{-}		1.0000|0|0				0			Constant	
66	Abiotic	1.000000	0	0	M191{+}ClBr1	OC{H}C OC(C)O	M191(R)(R)(R)R	M191{2+}.ClBr1{-}		1.0000|0|0				0			Constant	
67	Abiotic	1.000000	0	0	M192OF1	OC{H}C OC(C)O	M192(R)(R)(R)R	M192{+}.OF1{-}		1.0000|0|0				0			Constant	
68	Abiotic	1.000000	0	0	M192{+}OF1	OC{H}C OC(C)O	M192(R)(R)(R)R	M192{+}.OF1{-}		1.0000|0|0				0			Constant	
69	Abiotic	1.000000	0	0	[Sr]{+}S	OC{H}C OC(C)O	[Sr](R)(R)(R)R	[Sr]{+}.S{-}		1.0000|0|0				0			Constant	
70	Abiotic	1.000000	0	0	[Sr]{+}I	OC{H}C OC(C)O	[Sr](R)(R)(R)R	[Sr]{+}.I{-}		1.0000|0|0				0			Constant	
71	Abiotic	1.000000	0	0	ClBrN1M192	[Cr]Br OC(C)O OC{H}C	M192(R)(R)(R)R	ClBrN1{-}.M192{+}		1.0000|0|0				0			Constant	
72	Abiotic	1.000000	0	0	[Ce]Oy	OC{H}C OC(C)O	[Ce](R)(R)(R)(R)R	[Ce]{+}.Oy{-}		1.0000|0|0				0			Constant	
73	Abiotic	1.000000	0	0	[Ce]{+}Oy	OC{H}C OC(C)O	[Ce](R)(R)(R)(R)R	[Ce]{2+}.Oy{-}		1.0000|0|0				0			Constant	
74	Abiotic	1.000000	0	0	[Ce]{2+}Oy	OC(C)O OC{H}C	[Ce](R)(R)(R)(R)R	[Ce]{3+}.Oy{-}		1.0000|0|0				0			Constant	
75	Abiotic	1.000000	0	0	[Ce]{3+}Oy	OC{H}C OC(C)O	[Ce](R)(R)(R)(R)R	[Ce]{4+}.Oy{-}		1.0000|0|0				0			Constant	
76	Abiotic	1.000000	0	0	M17OF1	OC{H}C OC(C)O	M17(R)(R)(R)(R)R	M17{+}.OF1{-}		1.0000|0|0				0			Constant	
77	Abiotic	1.000000	0	0	M17{+}OF1	OC{H}C OC(C)O	M17(R)(R)(R)(R)R	M17{2+}.OF1{-}		1.0000|0|0				0			Constant	
78	Abiotic	1.000000	0	0	M17{2+}OF1	OC(C)O OC{H}C	M17(R)(R)(R)(R)R	M17{3+}.OF1{-}		1.0000|0|0				0			Constant	
79	Abiotic	1.000000	0	0	M17{3+}OF1	OC{H}C OC(C)O	M17(R)(R)(R)(R)R	M17{4+}.OF1{-}		1.0000|0|0				0			Constant	
80	Abiotic	1.000000	0	0	[Ti]ClBrN1	OC(C)O OC{H}C	[Ti](R)(R)(R)(R)R	[Ti]{+}.ClBrN1{-}		1.0000|0|0				0			Constant	
81	Abiotic	1.000000	0	0	[Ti]{+}ClBrN1	OC{H}C OC(C)O	[Ti](R)(R)(R)(R)R	[Ti]{2+}.ClBrN1{-}		1.0000|0|0				0			Constant	
82	Abiotic	1.000000	0	0	[Ti]{2+}ClBrN1	OC{H}C OC(C)O	[Ti](R)(R)(R)(R)R	[Ti]{3+}.ClBrN1{-}		1.0000|0|0				0			Constant	
83	Abiotic	1.000000	0	0	[Ti]{3+}ClBrN1	OC(C)O OC{H}C	[Ti](R)(R)(R)(R)R	[Ti]{4+}.ClBrN1{-}		1.0000|0|0				0			Constant	



