CONTROL:
"!Enum1;O,S{v2},N{v3}"
"*Ex10;E10,S{H}{v2}[X1],N{H2}{V3}[X1],C"
"!HA17;C{scy}{sp2},N{SCY}{V3}"
"~@Het1;C,N"
"~Pos1{-}O{H}[X1],C{SCY}{SP2}[X1];"
"~Pos2{-}[X1]H,C{H}(=O)[X1],C(=O)([X1])OC,F[X1],Cl[X1],Br[X1],I[X1],P{v5}([X1])(=O)=O,C([X1])(=O)Cl,C([X1])(=O)F,C([X1])(=O)Br,C([X1])(=O)I,S([X1])(=O)(=O)O{H},S([X1])(=O)(=O)OC,S([X1])(=O)(=O)C,S([X1])(=O)(=O)F,S([X1])(=O)(=O)Cl,S([X1])(=O)(=O)Br,S([X1])(=O)(=O)I,c{H}1c{H}c{H}c{H}c{H}c1[X1],C{scy}[X1],C(=O)(O{H})[X1],C{acy}[X1];"
"!SAm1;C,N{v3}C"
"![R1];H,C{sp2},C{sp1},C{ar},C{sp3}C{ar},F,Cl,I,Br"
"!AM1;C{scy}{sp3},C{scy}{sp2}"
"!E10;C{scy}{sp3},C{scy}{sp2}"
"!E11;C{ar},C{sp3}"
"!E12;H,C{sp2},C{sp3},C{ar}"
"!E15{-}[X1]H,[X1]C"
"~EAG{-}C(=O)[X1],C([X1])#N{v3},N{acy}{v3}([X1])=N{ACY}{V3}C{ar},N(=O)(=O)[X1],N{v3}(=O)[X1],N{ACY}{V3}([X1])=N{ACY}{V3}C{sp3},C{acy}([X1])=N{ACY}{V3}C{AR},C{acy}([X1])=N{ACY}{V3}C{sp3},S{ACY}{V4}(=O)[X1],S{ACY}{V6}(=O)([X1])=O;"
"!ES1;O{acy},S{ACY}{V2}"
"!FP1;OC,N{v3}C,C"
"!Hal;F,Cl,Br,I"
"!KE1;O{H},OO{H}"
"!LT1;S{scy}{v2},O{scy}{v2}"
"!PO2{-}S{H}{V2}[X1],O{H}[X1]"
"~Ph1{-}O{H}[X1];"
"~Ph2{-}C{scy}{sp2}[X1];"
"~Ph3{-}O{scy}[X1],S{scy}{v2}[X1],N{scy}{v3}[X1],C{scy}{sp3}[X1];"
"~Rg1{-}C{scy}{sp2}[X1];"
"!SA1{-}N{acy}{v3}[X1],S{acy}{v2}([X1])C,O([X1])C"
"!Sc1;C{scy},N{SCY}{V3},S{scy},O{scy}"
"!TD1{-}O{H}[X1],N{H}{V3}([X1])C"
"!CG;O{H},S{H}{v2},OC,N{v3},OOC,C{acy}"
"!DT{-}O{H}[X1],N{H2}[X1],[X1]H"
"!E1;H,C{sp3},C{sp3}C{ar},C{sp3}C{sp2},C{sp3}C{sp1}"
"!E2;C{sp3},C{ar},C{sp2},H"
"!E3{-}O{H}[X1],C[X1],O([X1])C,S{v2}([X1])C,N{v3}([X1])C,S{v6}[X1]"
"!E4;C{sp3}Hal,C{sp3},H,C{sp2},C{ar},C{SP3}O,C{SP3}S{V2},[Se]{V2}C{SP3},[Te]{V2}C{SP3}"
"!E5{-}C{sp3}[X1],C{sp3}([X1])C{ar},C{sp2}[X1],C{sp1}[X1],[X1]H,C{AR}[X1],Cl[X1]"
"!E6;C{sp3},C{ar}"
"!E7;H,C{sp2},C{ar},C{sp1}"
"!E8{-}C1([X1])=N{v3}C=CC=C1,C1([X1])=N{v3}C=CC2=C1C=CC=C2"
"~F1{-}O{H}[X1],S{H}{v2}[X1],N{H}{V3}[X1],C([X1])#N{v3},C{H}([X1])=O,C([X1])(=O)N{H2}{v3},S{V4}([X1])=O,S{v6}([X1])(=O)=O;"
"!M1{-}C{sp3}[X1],[X1]H"
"!SA;C,N{v3}"
"!T9;C{sp3},C{ar},C{sp2},C{sp1},H"
"~TG{-}N{H}{v3}[X1],O{H}[X1],S{H}{v2}[X1],[Se]{H}{v2}[X1];"
"!Z1{-}[X1]H,[X1]c1ccccc1,C{H3}[X1]"
"!Z2{-}C([X1])#N{v3},[X1]H,O=S{v6}(=O)([X1])C(F)(F)F,N{v5}(=O)(=O)[X1]"
"!Z3{-}C(=O)(C)[X1],C{sp3}[X1],C{ar}[X1],[X1]H,S{V6}(=O)(=O)([X1])C,P{v5}(=O)([X1])(OC)OC"
"!Z4{-}[X1]H,[X1]N{H2}{v3},[X1]OC"
"~3G{-}O{H}[X1],S{H}{v2}[X1],N{H}{v3}[X1];"

ID	Type	P	Probability_Group	ExpertGroup	Source	Forbidden	TotalForbidden	Product	TransformationName	Reliability	Comment	ModelName	MetabolizeWay	ExpertTransformation	EnzymList	ForbbidenIDsInLowerLevel	Kinetic Type	Model information	Reliability type	Metabo application all	Metabo application OK
11	phase I	1.0000000000	0	0	C{H}{sp3}C{ACY}=O	-	C{ACY}{H}{SP3}C{ACY}(=O)OO{H}	C=C{ACY}O{H}	Keto - enol tautomerism - 1,3-H shift(acy)	1.0000|0|0				0			Constant		Undefined	0	0
12	phase I	1.0000000000	0	0	C{acy}=C{acy}O{H}	-	C{ACY}=C{ACY}(O{H})OO{H}	C{ACY}{H}{SP3}C{acy}=O	Enol - keto tautomerism - 1,3-H shift(acy)	1.0000|0|0				0			Constant		Undefined	0	0
6	phase I	1.0000000000	0	0	C{scy}=C{scy}O{H}	C1(O{H})C2C(C=CC=1)=CC=CC=2 C1C2=C(C=CC=1O{H})C=CC=C2 C1C2C(C=CC=1O{H})=CC=CC=2	C1C=C(O{H})C=CC=1 C{~1}1C{~1}=C(O{H})C{~1}=C{~1}C{~1}=1"~1Ph3;2" C{~1}{@}1C(O{H})=CC{~1}{@}=C{~1}{@}C{~1}{@}=1"~@1Het1;C,N{>=1}" C{~1}1=C(O{H})C{~1}=C{~1}C{~1}=C{~1}1"~1Rg1;2" C1=CC2=C(C=C1)C=C1C(=C2)C(O{H})=C2C(=C1)C=CC=C2 C1C=C2C(=CC=1)C=C1C(=C2)C(O{H})=C2C(=C1)C=CC=C2 C1C(O{H})=C2C(=CC=1)C=CC=C2 c1cc(O{H})ccc1 C1=CC(O{H})=CC=C1	C{H}{scy}{sp3}C{SCY}=O	Enol - keto tautomerism - 1,3-H shift(alicyclic)	1.0000|0|0				0			Constant		Undefined	0	0
4	phase I	1.0000000000	0	0	C{H}{scy}{sp3}C{SCY}=O	-	-	C{scy}=C{scy}O{H}	Keto - enol tautomerism - 1,3-H shift(alicyclic)	1.0000|0|0				0			Constant		Undefined	0	0
328	phase I	1.0000000000	0	0	C1=C(O{H})C2=C(C=C1)C{~1}{@}=C{~1}{@}C{~1}{@}=C{~1}{@}2"~@1Het1;C,N"	-	C1(=O)C{H}2C(C=CC=C2)=CC=C1 c1cc2c(cc1)cc1c(c2O{H})cccc1 C{H}12C(=O)c3c(C=C1C=CC=C2)cccc3 C1=CC2C(C=C1)=CC1=C(C=2O{H})C=CC=C1 C12C(C3C(C=C1)=CC1=C(C=3O{H})C=CC=C1)=CC=CC=2 c12c(c3c(O{H})c4c(cc3cc1)cccc4)cccc2	C{H}{sp3}1C(=O)C2=C(C=C1)C{~1}{@}=C{~1}{@}C{~1}{@}=C{~1}{@}2"~@1Het1;C,N"	Enol - keto tautomerism - 1,3-H shift(fused-ring arenes)	1.0000|0|0				0			Constant		Undefined	0	0
46	phase I	1.0000000000	0	0	C1(O{H})=CC2=C(C=C1)C{~1}{@}=C{~1}{@}C{~1}{@}=C{~1}{@}2"~@1Het1;C,N"	-	-	C1(=O)C{H}{sp3}C2=C(C=C1)C{~1}{@}=C{~1}{@}C{~1}{@}=C{~1}{@}2"~@1Het1;C,N"	Enol - keto tautomerism - 1,3-H shift(fused-ring arenes)	1.0000|0|0				0			Constant		Undefined	0	0
120	phase I	1.0000000000	0	0	C{~1}1=C(O{H})C{~1}=C{~1}C{~1}=C{~1}1"~1Ph1;1"	-	C{H}1(O{H})C(=O)C=CC=C1 C12=C(O{H})C=CC=C1C=CC=C2	C{~1}{H}{SP3}1C(=O)C{~1}=C{~1}C{~1}=C{~1}1"~1Ph1;1"	Enol - keto tautomerism - 1,3-H shift	1.0000|0|0				0			Constant		Undefined	0	0
327	phase I	1.0000000000	0	0	C{H}{SP3}1C(=O)C=CC=C1	C1(=O)C{H}(O{H})C=CC=C1	C1(=O)C{H}2C(C=CC=C2)=CC=C1 C1(O{H})C=CC=C2C=1C=CC=C2	C1=C(O{H})C=CC=C1	Keto - enol tautomerism - 1,3-H shift	1.0000|0|0				0			Constant		Undefined	0	0
288	phase I	1.0000000000	0	0	C1=CC{H}{SP3}C=CC1=O	-	C1(=O)C=C2C{H}(C=CC=C2)C=C1	C1C=CC=CC=1O{H}	Keto - enol tautomerism - 1,5-H shift	1.0000|0|0				0			Constant		Undefined	0	0
287	phase I	1.0000000000	0	0	C1=C(O{H})C2=C(C=C1)C{~1}{@}=C{~1}{@}C{~1}{@}=C{~1}{@}2"~@1Het1;C,N"	-	C1=C(O{H})C2=C(C3=C1C=CC=C3)C=CC=C2 C1(O{H})c2c(-c3c(cccc3)C=1)cccc2	C1C(=O)C2=C(C{H}{sp3}C=1)C{~1}{@}=C{~1}{@}C{~1}{@}=C{~1}{@}2"~@1Het1;C,N"	Enol - keto tautomerism - 1,5-H shift(fused-ring arenes)	1.0000|0|0				0			Constant		Undefined	0	0
121	phase I	1.0000000000	0	0	C{~1}1C{~1}=C{~1}C{~1}=C{~1}C=1O{H}"~1Ph1;1"	-	C1=CC{H}(O{H})C=CC1=O C{H}1C{H}=C(O{H})C{H}=C{H}C=1O{H} C12C(=C{~1}C{~1}=C{~1}C=1O{H})C=CC=C2"~1Ph1;1" C12=C(C{~1}=C{~1}C{~1}=C1O{H})C=CC=C2"~1Ph1;1"	C{~1}1=C{~1}C{~1}{H}C{~1}=C{~1}C1=O"~1Ph1;1"	Enol - keto tautomerism - 1,5-H shift	1.0000|0|0				0			Constant		Undefined	0	0
44	phase I	1.0000000000	0	0	C{SCY}(=C{SCY}O{H})C{scy}=C{scy}{sp2}	C1(O{H})C2C(C=CC=1)=CC=CC=2 C1(O{H})=C2C(=CC=C1)C=CC=C2 C1(O{H})C2=C(C=CC=1)C=CC=C2 C1(=O)C=C2C(C=C1)=CC=CC{H}2 C1(O{H})=CC2C(C=C1)=CC=CC=2	C1C=CC=CC=1O{H} C{~1}1C{~1}=C(O{H})C{~1}=C{~1}C{~1}=1"~1Ph3;2" C{~1}{@}1C(O{H})=C{~1}{@}C{~1}{@}=CC{~1}{@}=1"~@1Het1;C,N{>=1}" C{~1}1C{~1}=C{~1}C{~1}=C{~1}C=1O{H}"~1Rg1;2" C1C(O{H})=C2C(=CC=1)C=CC=C2 C12C(C=C(O{H})C=C1)=Cc1c(cccc1)C=2 C12C(C3=C(C(O{H})=C1)C=CC=C3)=CC=CC=2 c12c(cccc1)C=C1C(=C2)C=C(O{H})C=C1 C12C(C3C(C(O)=C1)=CC=CC=3)=CC=CC=2 c12c(c(O)c3c(cccc3)c1)cccc2 C1(O{H})=CC2C(C=C1)=CC1C(C=2)=CC=CC=1 C12C(c3c(C(O{H})=C1)cccc3)=Cc1c(cccc1)C=2 C1=CC2=C(C=C1)C=C1C(=C2)C(O{H})=C2C(=C1)C=CC=C2 C1(O{H})=CC2C(C3C1=CC=CC=3)=CC1=C(C=2)C=CC=C1 C1C=C2C(=CC=1)C=C1C(=C2)C(O{H})=C2C(=C1)C=CC=C2 C1(O{H})=CC2C(C3C1=CC=CC=3)=CC1C(C=2)=CC=CC=1 C1=CC2=C(C=C1O{H})C=CC=C2 c1ccccc1O{H} C1=CC(O{H})=CC=C1 C1=CC2=C(C=C1)C=C(O{H})Enum12 c1cc2c(cc1)C=C(O{H})Enum12 C12C(C=C(O{H})Enum11)=CC=CC=2 C12C(C=C(O{H})Enum11)=CC1=C(C=2)C=CC=C1 c12c(C=C(O{H})Enum11)cc1c(c2)cccc1 C12=C(C=C(O{H})O1)C=C1C(=C2)C=CC=C1 C12C(=Cc3c(cccc3)C=1)OC(O{H})=C2 C12C(=CC3=C(C=1)C=CC=C3)OC(O{H})=C2 c12c(C=C(O{H})O1)cc1c(cccc1)c2 C12=C(C=C(O{H})O1)C=C1C(C=CC=C1)=C2 C12C(C=C(O{H})O1)=CC1=C(C=CC=C1)C=2 C12C(C=C(O{H})O1)=CC1C(=CC=CC=1)C=2 C12=C(C=C(O{H})O1)C=C(C{ar})C(C{ar})=C2	C{SCY}(C{SCY}=O)=C{SCY}C{H}{scy}{sp3}	Enol - keto tautomerism - 1,5-H shift(alicyclic)	1.0000|0|0				0			Constant		Undefined	0	0
17	phase I	1.0000000000	0	0	C{SCY}(C{SCY}=O)=C{SCY}C{H}{scy}{sp3}	C1(=O)C=C2C(C=C1)=CC=CC{H}2	C1(O{H})c2c(-c3c(cccc3)C=1)cccc2 C12C(c3c(C(=O)C=1)cccc3)=CC=CC{H}2 C1(=O)C=CC2C(C{H}C=C*C=2)=C1 C1(=O)c2c(C=CC{H}1)cccc2 C12C(c3c(C(=O)C=1)cccc3)=CC=CC{H}2 C12C(C=CC(=O)C=1)=Cc1c(cccc1)C{H}2	C{SCY}(=C{SCY}O{H})C{scy}=C{scy}{sp2}	Keto - enol tautomerism - 1,5-H shift	1.0000|0|0				0			Constant		Undefined	0	0
375	phase I	1.0000000000	0	0	C{~1}{@}1C(O{H})=CC{~1}{@}=C{~1}{@}C{~1}{@}=1"~@1Het1;C,N{>=1}"	-	C{~1}{@}1C(O{H})=C2C(=C{~1}{@}C{~1}{@}=1)C=CC=C2"~@1Het1;C,N{>=1}" C{~1}{@}1=C(O{H})C2=C(C{~1}{@}=C{~1}{@}1)C=CC=C2"~@1Het1;C,N{>=1}"	C{~1}{@}1C(=O)C{H}{sp3}C{~1}{@}=C{~1}{@}C{~1}{@}=1"~@1Het1;C,N{>=1}"	Enol - keto tautomerism - 1,3-H shift	1.0000|0|0				0			Constant		Undefined	0	0
132	phase I	1.0000000000	0	0	C{~1}1C(O{H})=C{~1}C{~1}=C{~1}C{~1}=1"~1EAG;1"	-	C12C(O{H})=CC=CC=1C=CC=C2	C{~1}1C(=O)C{~1}{H}C{~1}=C{~1}C{~1}=1"~1EAG;1"	Enol - keto tautomerism - 1,3-H shift	1.0000|0|0				0			Constant		Undefined	0	0
129	phase I	1.0000000000	0	0	C{~1}1C(O{H})=C{~1}C{~1}=C{~1}C{~1}=1"~1TG;1"	-	-	C{~1}1C(=O)C{~1}{H}C{~1}=C{~1}C{~1}=1"~1TG;1"	Enol - keto tautomerism - 1,3-H shift	1.0000|0|0				0			Constant		Undefined	0	0
186	phase I	1.0000000000	0	0	C{~1}1C(O{H})=C{~1}C{~1}=C{~1}C{~1}=1"~1EAG;1"	-	-	C{~1}1C(=O)C{~1}=C{~1}C{~1}{H}C{~1}=1"~1EAG;1"	Enol - keto tautomerism - 1,5-H shift	1.0000|0|0				0			Constant		Undefined	0	0
130	phase I	1.0000000000	0	0	C{~1}1C(O{H})=C{~1}C{~1}=C{~1}C{~1}=1"~1TG;1"	-	-	C{~1}1C(=O)C{~1}=C{~1}C{~1}{H}C{~1}=1"~1TG;1"	Enol - keto tautomerism - 1,5-H shift	1.0000|0|0				0			Constant		Undefined	0	0
131	phase I	1.0000000000	0	0	C{~1}{@}1C(O{H})=C{~1}{@}C{~1}{@}=CC{~1}{@}=1"~@1Het1;C,N{>=1}"	-	-	C{~1}{@}1C(=O)C{~1}{@}=C{~1}{@}C{H}{sp3}C{~1}{@}=1"~@1Het1;C,N{>=1}"	Enol - keto tautomerism - 1,5-H shift	1.0000|0|0				0			Constant		Undefined	0	0
21	phase I	1.0000000000	0	0	C{H}{acy}{sp3}C{acy}=C{acy}C{acy}=O	-	C{ACY}{H}{SP3}C{ACY}=C{ACY}C{ACY}(=O)OO{H}	C{acy}=C{acy}C{acy}=C{acy}O{H}	Keto - enol tautomerism - 1,5-H shift(acy)	1.0000|0|0				0			Constant		Undefined	0	0
22	phase I	1.0000000000	0	0	C{acy}=C{acy}C{ACY}=C{ACY}O{H}	-	C{ACY}=C{ACY}C{ACY}=C{ACY}(O{H})OO{H}	C{H}{acy}{sp3}C{acy}=C{acy}C{acy}=O	Enol - keto tautomerism - 1,5-H shift(acy)	1.0000|0|0				0			Constant		Undefined	0	0
294	phase I	1.0000000000	0	0	C{ACY}(C{ACY}{H}{SP3})#C{ACY}C{ACY}=O	-	C{ACY}(C{ACY}{H}{SP3})#C{ACY}C{ACY}(=O)OO{H}	C{ACY}(=C{ACY}{SP2})=C{ACY}=C{ACY}O{H}	Keto - enol tautomerism - 1,5-H shift(acy)	1.0000|0|0				0			Constant		Undefined	0	0
293	phase I	1.0000000000	0	0	C{ACY}(=C{ACY}{SP2})=C{ACY}=C{ACY}O{H}	-	C{ACY}(=C{ACY}{SP2})=C{ACY}=C{ACY}(O{H})OO{H}	C{ACY}(C{ACY}{H}{SP3})#C{ACY}C{ACY}=O	Enol - keto tautomerism - 1,5-H shift(acy)	1.0000|0|0				0			Constant		Undefined	0	0
19	phase I	1.0000000000	0	0	C{acy}(=C{acy}C{acy}=C{acy}O{H})C{acy}=C{acy}	-	C{ACY}(=C{ACY}C{ACY}=C{ACY}(O{H})OO{H})C{ACY}=C{ACY}	C{ACY}(C{ACY}=C{ACY}C{ACY}=O)=C{ACY}C{H}{acy}{sp3}	Enol - keto tautomerism - 1,7-H shift(acy)	1.0000|0|0				0			Constant		Undefined	0	0
499	phase I	1.0000000000	0	0	C{ACY}(C{ACY}=C{ACY}C{ACY}=O)=C{ACY}C{ACY}{H}{SP3}	-	C{ACY}(C{ACY}=C{ACY}C{ACY}(=O)OO{H})=C{ACY}C{ACY}{H}{SP3}	C{acy}(=C{acy}C{acy}=C{acy}O{H})C{acy}=C{acy}	Keto - enol tautomerism - 1,7-H shift(acy)	1.0000|0|0				0			Constant		Undefined	0	0
296	phase I	1.0000000000	0	0	C{ACY}{H}{SP3}C{ACY}#C{ACY}C{ACY}#C{ACY}C{ACY}=O	-	C{ACY}{H}{SP3}C{ACY}#C{ACY}C{ACY}#C{ACY}C{ACY}(=O)OO{H}	C{SP2}=C=C=C=C=CO{H}	Keto - enol tautomerism - 1,7-H shift(acy)	1.0000|0|0				0			Constant		Undefined	0	0
295	phase I	1.0000000000	0	0	C{SP2}=C=C=C=C=CO{H}	-	C{SP2}=C=C=C=C=C(O{H})OO{H}	C{ACY}{H}{SP3}C{ACY}#C{ACY}C{ACY}#C{ACY}C{ACY}=O	Enol - keto tautomerism - 1,7-H shift(acy)	1.0000|0|0				0			Constant		Undefined	0	0
473	phase I	1.0000000000	0	0	C(C=CC{SCY}=O)=CC{H}{scy}{sp3}	-	-	C(=CC=C{scy}O{H})C=C{scy}	Keto - enol tautomerism - 1,7-H shift	1.0000|0|0				0			Constant		Undefined	0	0
474	phase I	1.0000000000	0	0	C{sp1}=C{ACY}O{H}{ACY}	-	-	C{H}{sp2}C{ACY}=O{ACY}	Allenol - enone tautomerism in conjugated systems - 1,3-H shift	1.0000|0|0				0			Constant		Undefined	0	0
492	phase I	1.0000000000	0	0	C{H}{ACY}=C{ACY}=O	-	-	C{ACY}#C{ACY}O{H}	Ketene - ynol tautomerism - 1,3-H shift	1.0000|0|0				0			Constant		Undefined	0	0
491	phase I	1.0000000000	0	0	C{ACY}#C{ACY}O{H}	-	-	C{H}{ACY}=C{ACY}=O	Ynol - ketene tautomerism - 1,3-H shift	1.0000|0|0				0			Constant		Undefined	0	0
476	phase I	1.0000000000	0	0	O{ACY}{H}C=CC=C{acy}{sp1}	-	-	O{ACY}=CC=CC{H}{acy}{sp2}	Allenol - enone tautomerism in conjugated systems - 1,5-H shift	1.0000|0|0				0			Constant		Undefined	0	0
475	phase I	1.0000000000	0	0	C(=CC=CO{H})C=C{ACY}{SP1}	-	-	C(C=CC=O)=CC{H}{acy}{sp2}	Allenol - enone tautomerism in conjugated systems - 1,7-H shift	1.0000|0|0				0			Constant		Undefined	0	0
477	phase I	1.0000000000	0	0	C{ACY}(=C{ACY}{SP2})=C{ACY}=C{ACY}O{H}{ACY}	-	-	C{ACY}(C{H}{ACY}{SP2})#C{ACY}C{ACY}=O	Cumulenol - enyne-keto tautomerism in conjugated systems - 1,5-H shift	1.0000|0|0				0			Constant		Undefined	0	0
478	phase I	1.0000000000	0	0	C{acy}{sp1}=C{ACY}=C{ACY}=C{ACY}=C{ACY}=C{ACY}O{ACY}{H}	-	-	C{ACY}{H}{SP2}C{ACY}#C{ACY}C{ACY}#C{ACY}C{ACY}=O	Cumulenol - enyne-keto tautomerism in conjugated systems - 1,7-H shift	1.0000|0|0				0			Constant		Undefined	0	0
3	phase I	1.0000000000	0	0	C{ACY}{H}{SP3}C{ACY}=N{ACY}{V3}	-	-	C{ACY}=C{ACY}N{H}{acy}{v3}	Imine - enamine tautomerism - 1,3-H shift(acy)	1.0000|0|0				0			Constant		Undefined	0	0
1	phase I	1.0000000000	0	0	C{ACY}=C{ACY}N{H}{acy}{v3}	-	-	C{ACY}{H}{SP3}C{ACY}=N{ACY}{V3}	Enamine - imine tautomerism - 1,3-H shift(acy)	1.0000|0|0				0			Constant		Undefined	0	0
198	phase I	1.0000000000	0	0	C{H}{SCY}{SP3}C{SCY}=N{v3}	-	-	C{scy}=C{SCY}N{H}{V3}	Imine - enamine tautomerism - 1,3-H shift	1.0000|0|0				0			Constant		Undefined	0	0
199	phase I	1.0000000000	0	0	C{scy}=C{SCY}N{H}{V3}	C{~1}1=C(N{H}{V3})C{~1}=CC{~1}=C1"~1EAG;1" C{~1}1=C(N{H}{V3})C{~1}=C{~1}C{~1}=C{~1}1"~1TG;1"	C1C(N{H}{V3})=CC=CC=1 C{H}1C(N{H}{V3})=C2C(=C{H}C{H}=1)C{H}=C{H}C{H}=C{H}2 C1=CC2=C(C=C1)N{H}{v3}CC=C2 C{H}1=C(N{H}{V3})C2=C(C{H}=C{H}1)C{H}=C{H}C{H}=C{H}2 C{H}1=C(N{H}{v3})C2C(C{H}=C{H}1)=C{H}C{H}=C{H}C{H}=2 c{H}1c(N{H}{V3})c2c(c{H}c{H}1)c{H}c{H}c{H}c{H}2 C{~1}{@}1=C{~1}{@}C2=C(C{~1}{@}=C{~1}{@}1)N{H}{v3}C{~1}{@}=C{~1}{@}2"~@1Het1;C,N" C{~1}{@}1C{~1}{@}=C2C(=C{~1}{@}C{~1}{@}=1)N{H}{v3}C{~1}{@}=C{~1}{@}2"~@1Het1;C,N" C{SCY}(Sc1)(Sc1)=C{SCY}(N{H}{V3})Sc1  C12C(C=CC=C1)=CN{H}{v3}C=2 C1(C{ar})C(C{ar})=CN{H}{V3}C=1	C{H}{SCY}{SP3}C{SCY}=N{v3}	Enamine - imine tautomerism - 1,3-H shift(alicyclic)	1.0000|0|0				0			Constant		Undefined	0	0
506	phase I	1.0000000000	0	0	C{~1}{@}1C(N{H}{acy}{v3})=CC{~1}{@}=C{~1}{@}C{~1}{@}=1"~@1Het1;C,N{>=1}"	-	-	C{~1}{@}1C(=N{ACY}{V3})C{H}{SP3}C{~1}{@}=C{~1}{@}C{~1}{@}=1"~@1Het1;C,N{>=1}"	Enamine - imine tautomerism - 1,3-H shift	1.0000|0|0				0			Constant		Undefined	0	0
197	phase I	1.0000000000	0	0	C{~1}1=C(N{H}{acy}{v3})C{~1}=CC{~1}=C1"~1EAG;1"	-	-	C{~1}{H}{SP3}1C(=N{acy}{v3})C{~1}=CC{~1}=C1"~1EAG;1"	Enamine - imine tautomerism - 1,3-H shift	1.0000|0|0				0			Constant		Undefined	0	0
201	phase I	1.0000000000	0	0	C{~1}1=C(N{H}{acy}{v3})C{~1}=C{~1}C{~1}=C{~1}1"~1TG;1"	-	-	C{~1}{H}{SP3}1C(=N{acy}{v3})C{~1}=C{~1}C{~1}=C{~1}1"~1TG;1"	Enamine - imine tautomerism - 1,3-H shift	1.0000|0|0				0			Constant		Undefined	0	0
235	phase I	1.0000000000	0	0	C1=C(N{H}{acy}{v3})C2=C(C=C1)C{~1}{@}=C{~1}{@}C{~1}{@}=C{~1}{@}2"~@1Het1;C,N"	-	C1=CC2C(C=C1)=CC1=C(C=2N{H}{acy}{v3})C=CC=C1 C{H}12C(=N{acy}{v3})c3c(C=C1C=CC=C2)cccc3 c1cc2c(cc1)cc1c(c2N{H}{acy}{v3})cccc1 C1(=N{acy}{v3})C{H}2C(C=CC=C2)=CC=C1	C{H}{sp3}1C(=N{ACY}{V3})C2=C(C=C1)C{~1}{@}=C{~1}{@}C{~1}{@}=C{~1}{@}2"~@1Het1;C,N"	Enamine - imine tautomerism - 1,3-H shift(fused-ring arenes)	1.0000|0|0				0			Constant		Undefined	0	0
276	phase I	1.0000000000	0	0	C1(N{H}{acy}{v3})=CC2=C(C=C1)C{~1}{@}=C{~1}{@}C{~1}{@}=C{~1}{@}2"~@1Het1;C,N"	-	-	C1(=N{ACY}{V3})C{H}{sp3}C2=C(C=C1)C{~1}{@}=C{~1}{@}C{~1}{@}=C{~1}{@}2"~@1Het1;C,N"	Enamine - imine tautomerism - 1,3-H shift(fused-ring arenes)	1.0000|0|0				0			Constant		Undefined	0	0
275	phase I	1.0000000000	0	0	C1=C(N{H}{acy}{v3})C2=C(C=C1)C{~1}{@}=C{~1}{@}C{~1}{@}=C{~1}{@}2"~@1Het1;C,N"	-	-	C1C(=N{ACY}{V3})C2=C(C{H}{sp3}C=1)C{~1}{@}=C{~1}{@}C{~1}{@}=C{~1}{@}2"~@1Het1;C,N"	Enamine - imine tautomerism - 1,5-H shift(fused-ring arenes)	1.0000|0|0				0			Constant		Undefined	0	0
192	phase I	1.0000000000	0	0	C{acy}=C{acy}C{acy}=C{acy}N{H}{acy}{v3}	-	-	C{H}{acy}{sp3}C{ACY}=C{ACY}C{ACY}=N{ACY}{V3}	Enamine - imine tautomerism - 1,5-H shift(acy)	1.0000|0|0				0			Constant		Undefined	0	0
189	phase I	1.0000000000	0	0	C{H}{acy}{sp3}C{ACY}=C{ACY}C{ACY}=N{ACY}{V3}	-	-	C{acy}=C{acy}C{acy}=C{acy}N{H}{acy}{v3}	Imine - enamine tautomerism - 1,5-H shift(acy)	1.0000|0|0				0			Constant		Undefined	0	0
188	phase I	1.0000000000	0	0	C{~1}{@}1C{~1}{@}=C(N{H}{acy}{v3})C{~1}{@}=C{~1}{@}C=1"~@1Het1;C,N{>=1}"	-	C1=CC2=C(C=C1)N{~1}{@}=C(N{H}{ACY}{V3})C{~1}{@}=C{~1}{@}2"~@1Het1;C,N" C1=CC2C(C=C1)=N{~1}{@}C(N{H}{ACY}{H}{V3})=C{~1}{@}C{~1}{@}=2"~@1Het1;C,N"	C{~1}{@}1=C{~1}{@}C(=N{acy}{v3})C{~1}{@}=C{~1}{@}C{H}{SP3}1"~@1Het1;C,N{>=1}"	Enamine - imine tautomerism - 1,5-H shift	1.0000|0|0				0			Constant		Undefined	0	0
187	phase I	1.0000000000	0	0	C{~1}{@}1=C{~1}{@}C(=N{acy}{v3})C{~1}{@}=C{~1}{@}C{H}{SP3}1"~@1Het1;C,N{>=1}"	-	-	C{~1}{@}1C{~1}{@}=C(N{H}{acy}{v3})C{~1}{@}=C{~1}{@}C=1"~@1Het1;C,N{>=1}"	Imine - enamine tautomerism - 1,5-H shift	1.0000|0|0				0			Constant		Undefined	0	0
282	phase I	1.0000000000	0	0	C{H}{acy}{sp3}N{acy}{v3}=C{acy}C{acy}=N{acy}{v3}	-	-	C{ACY}=N{ACY}{V3}C{ACY}=C{ACY}N{H}{ACY}{V3}	Imine - enamine tautomerism - 1,5-H shift(acy)	1.0000|0|0				0			Constant		Undefined	0	0
281	phase I	1.0000000000	0	0	C{ACY}=N{ACY}{V3}C{ACY}=C{ACY}N{H}{ACY}{V3}	-	-	C{H}{acy}{sp3}N{acy}{v3}=C{acy}C{acy}=N{acy}{v3}	Enamine - imine tautomerism - 1,5-H shift(acy)	1.0000|0|0				0			Constant		Undefined	0	0
126	phase I	1.0000000000	0	0	C{H}{scy}{sp3}N{scy}{v3}=C{scy}C{scy}=N{scy}{v3}	-	-	C{SCY}=N{SCY}{V3}C{SCY}=C{SCY}N{H}{SCY}{V3}	Imine - enamine tautomerism - 1,5-H shift(scy)	1.0000|0|0				0			Constant		Undefined	0	0
125	phase I	1.0000000000	0	0	C{SCY}=N{SCY}{V3}C{SCY}=C{SCY}N{H}{SCY}{V3}	-	-	C{H}{scy}{sp3}N{scy}{v3}=C{scy}C{scy}=N{scy}{v3}	Enamine - imine tautomerism - 1,5-H shift(scy)	1.0000|0|0				0			Constant		Undefined	0	0
518	phase I	1.0000000000	0	0	C1C=CN{H}{v3}C=1	-	-	C1=CC{H}{sp3}N{V3}=C1	Enamine - imine tautomerism - 1,5-H shift(scy)	1.0000|0|0				0			Constant		Undefined	0	0
517	phase I	1.0000000000	0	0	C1=CC{H}{sp3}N{V3}=C1	-	-	C1C=CN{H}{v3}C=1	Imine - enamine tautomerism - 1,5-H shift(scy)	1.0000|0|0				0			Constant		Undefined	0	0
223	phase I	1.0000000000	0	0	C{H}{acy}{sp3}N{acy}{v3}=C{acy}N{acy}{v3}=C{acy}	-	-	C{acy}=N{ACY}{V3}C{ACY}=N{ACY}{V3}C{H}{acy}{sp3}	Enimine(1) - enimine(2) tautomerism - 1,5-H shift(acy)	1.0000|0|0				0			Constant		Undefined	0	0
222	phase I	1.0000000000	0	0	C{acy}=N{ACY}{V3}C{ACY}=N{ACY}{V3}C{H}{acy}{sp3}	-	-	C{H}{acy}{sp3}N{acy}{v3}=C{acy}N{acy}{v3}=C{acy}	Enimine(2) - enimine(1) tautomerism - 1,5-H shift(acy)	1.0000|0|0				0			Constant		Undefined	0	0
128	phase I	1.0000000000	0	0	C{H}{scy}{sp3}N{scy}{v3}=C{scy}N{scy}{v3}=C{scy}	-	-	C{H}{scy}{sp3}N{scy}{v3}=C{scy}N{scy}{v3}=C{scy}	Enimine(1) - enimine(2) tautomerism - 1,5-H shift(scy)	1.0000|0|0				0			Constant		Undefined	0	0
127	phase I	1.0000000000	0	0	C{H}{scy}{sp3}N{scy}{v3}=C{scy}N{scy}{v3}=C{scy}	-	-	C{H}{scy}{sp3}N{scy}{v3}=C{scy}N{scy}{v3}=C{scy}	Enimine(2) - enimine(1) tautomerism - 1,5-H shift(scy)	1.0000|0|0				0			Constant		Undefined	0	0
224	phase I	1.0000000000	0	0	N{H}{acy}{v3}C{SCY}=C{SCY}C{SCY}=C{SCY}	C{~1}1C{~1}=C(N{H}{V3})C{~1}=C{~1}C{~1}=1"~1EAG;1" C{~1}1C{~1}=C(N{H}{V3})C{~1}=C{~1}C{~1}=1"~1TG;1" C{~1}{@}1C{~1}{@}=C(N{H}{V3})C{~1}{@}=C{~1}{@}C=1"~@1Het1;C,N{>=1}" C12C(=C{~1}{@}Enum1C{~1}{@}=1)C=CC=C2"~@1Het1;C,N"	C1C(N{H}{V3})=CC=CC=1 C{H}1C(N{H}{V3})=C2C(=C{H}C{H}=1)C{H}=C{H}C{H}=C{H}2 c1(N{H})c2c(cccc2)ccc1 C1(N{H}{H}{v3})C2=C(C{H}=C{H}C{H}=1)C{H}=C{H}C{H}=C{H}2 C1(N{H}{acy}{v3})c2c(cccc2)C=CC=1 C1(N{ACY}{V3})C2C(C{~1}{@}=C{~1}{@}C{~1}{@}=1)=CC=CC=2"~@1Het1;C,N" C12=C(C{~1}{@}=C(N{H}{ACY}{H}{V3})C{~1}{@}=C{~1}{@}1)C=CC=C2"~@1Het1;C,N" C{~1}{@}1C2C(C{~1}{@}=C(N{H}{ACY}{V3})C{~1}{@}=1)=CC=CC=2"~@1Het1;C,N" c1cc2c(cc1)C=C(N{H}{v3})Enum12 C12C(C=C(N{H}{H}{v3})Enum11)=CC=CC=2 C12=C(C=C(N{H}{V3})Enum11)C=CC=C2 C12=C(C=C(N{H}{V3})Enum11)C=C1C(=C2)C=CC=C1 C12C(C=C(N{H}{V3})Enum11)=CC1C(C=2)=CC=CC=1 C12C(=CN{H}{v3}C=1)C=CC=C2	N{ACY}{V3}=C{SCY}C{SCY}=C{SCY}C{H}{scy}{sp3}	Enamine - imine tautomerism - 1,5-H shift(alicyclic)	1.0000|0|0				0			Constant		Undefined	0	0
203	phase I	1.0000000000	0	0	N{ACY}{V3}=C{SCY}C{SCY}=C{SCY}C{H}{scy}{sp3}	-	-	N{H}{acy}{v3}C{SCY}=C{SCY}C{SCY}=C{SCY}	Imine - enamine tautomerism - 1,5-H shift	1.0000|0|0				0			Constant		Undefined	0	0
230	phase I	1.0000000000	0	0	C{~1}1C{~1}=C(N{H}{acy}{v3})C{~1}=C{~1}C{~1}=1"~1EAG;1"	-	-	C{~1}1=C{~1}C(=N{acy}{v3})C{~1}=C{~1}C{~1}{H}{SP3}1"~1EAG;1"	Enamine - imine tautomerism - 1,5-H shift	1.0000|0|0				0			Constant		Undefined	0	0
225	phase I	1.0000000000	0	0	C{~1}1C{~1}=C(N{H}{acy}{v3})C{~1}=C{~1}C{~1}=1"~1TG;1"	-	-	C{~1}1=C{~1}C(=N{acy}{v3})C{~1}=C{~1}C{~1}{H}{SP3}1"~1TG;1"	Enamine - imine tautomerism - 1,5-H shift	1.0000|0|0				0			Constant		Undefined	0	0
104	phase I	1.0000000000	0	0	C{acy}(=C{acy}C{acy}=C{acy}N{ACY}{H}{V3})C{acy}=C{acy}{sp2}	-	-	C{ACY}(C{ACY}=C{ACY}C{ACY}=N{ACY}{V3})=CC{H}{ACY}{SP3}	Enamine - imine tautomerism - 1,7-H shift(acy)	1.0000|0|0				0			Constant		Undefined	0	0
498	phase I	1.0000000000	0	0	C{ACY}(C{ACY}=C{ACY}C{ACY}=N{ACY}{V3})=CC{H}{ACY}{SP3}	-	-	C{acy}(=C{acy}C{acy}=C{acy}N{ACY}{H}{V3})C{acy}=C{acy}{sp2}	Imine - enamine tautomerism - 1,7-H shift(acy)	1.0000|0|0				0			Constant		Undefined	0	0
277	phase I	1.0000000000	0	0	C(C=CC{SCY}=N{acy}{v3})=CC{H}{SCY}{SP3}	-	-	C(=CC=C{SCY}N{H}{ACY}{V3})C=C{scy}{sp2}	Imine - enamine tautomerism - 1,7-H shift	1.0000|0|0				0			Constant		Undefined	0	0
494	phase I	1.0000000000	0	0	C{H}{ACY}=C{ACY}=S	-	-	C{ACY}#C{ACY}S{H}	Thioketene - thioynol tautomerism - 1,3-H shift	1.0000|0|0				0			Constant		Undefined	0	0
493	phase I	1.0000000000	0	0	C{ACY}#C{ACY}S{H}	-	-	C{H}{ACY}=C{ACY}=S	Thioynol - thioketene tautomerism - 1,3-H shift	1.0000|0|0				0			Constant		Undefined	0	0
8	phase I	1.0000000000	0	0	C{H}{acy}{sp3}C{acy}=S{V2}	-	C{ACY}{H}{SP3}C{ACY}(=S{V2})OO{H}	C{ACY}=C{ACY}S{H}{v2}	Thione - thiol tautomerism - 1,3-H shift(acy)	1.0000|0|0				0			Constant		Undefined	0	0
10	phase I	1.0000000000	0	0	C{acy}=C{acy}S{H}{V2}	-	C{ACY}=C{ACY}(S{H}{V2})OO{H}	C{H}{ACY}{SP3}C{ACY}=S{V2}	Thiol - thione tautomerism - 1,3-H shift(acy)	1.0000|0|0				0			Constant		Undefined	0	0
231	phase I	1.0000000000	0	0	C{SCY}=C{SCY}S{H}{V2}	C{~1}1=C(S{H}{V2})C{~1}=C{~1}C{~1}=C{~1}1"~1TG;1" C{~1}1=C(S{H}{V2})C{~1}=C{~1}C{~1}=C{~1}1"~1EAG;1"	C1C=C(S{H}{V2})C=CC=1 c{H}1c(S{H}{V2})c2c(c{H}c{H}1)c{H}c{H}c{H}c{H}2 C{~1}{@}1=C{~1}{@}C(S{H}{V2})=C2C(=C{~1}{@}1)C=CC=C2"~@1Het1;C,N{>=1}" C{~1}{@}1C{~1}{@}=C(S{H}{V2})C2=C(C{~1}{@}=1)C=CC=C2"~@1Het1;C,N{>=1}" C1(S{H}{V2})C2=C(C{~1}{@}=C{~1}{@}C{~1}{@}=1)C{~1}{@}C{~1}{@}=C{~1}{@}2"~@1Het1;C,N{>=1}" C1(S{H}{V2})=C2C(=C{~1}{@}C{~1}{@}=C{~1}{@}1)C{~1}{@}C{~1}{@}=C{~1}{@}2"~@1Het1;C,N{>=1}" C1(S{H}{V2})C2=C(C{~1}{@}=C{~1}{@}C{~1}{@}=1)C{~1}{@}=C{~1}{@}C{~1}{@}=C{~1}{@}2"~@1Het1;C,N" C1(S{H}{V2})=C2C(=C{~1}{@}C{~1}{@}=C{~1}{@}1)C{~1}{@}=C{~1}{@}C{~1}{@}=C{~1}{@}2"~@1Het1;C,N"	C{H}{scy}{sp3}C{SCY}=S{V2}	Thiol - thione tautomerism - 1,3-H shift(alicyclic)	1.0000|0|0				0			Constant		Undefined	0	0
249	phase I	1.0000000000	0	0	C{H}{scy}{sp3}C{SCY}=S{V2}	-	-	C{SCY}=C{SCY}S{H}{V2}	Thione - thiol tautomerism - 1,3-H shift	1.0000|0|0				0			Constant		Undefined	0	0
185	phase I	1.0000000000	0	0	C1=C(S{H}{V2})C{~1}{@}=C{~1}{@}C{~1}{@}=C{~1}{@}1"~@1Het1;C,N{>=1}"	-	C{~1}{@}1=C(S{H}{V2})C2=C(C{~1}{@}=C{~1}{@}1)C=CC=C2"~@1Het1;C,N{>=1}" C{~1}{@}1C(S{H}{V2})=C2C(=C{~1}{@}C{~1}{@}=1)C=CC=C2"~@1Het1;C,N{>=1}"	C{H}{sp3}1C(=S{V2})C{~1}{@}=C{~1}{@}C{~1}{@}=C{~1}{@}1"~@1Het1;C,N{>=1}"	Thiol - thione tautomerism - 1,3-H shift	1.0000|0|0				0			Constant		Undefined	0	0
250	phase I	1.0000000000	0	0	C{~1}1=C(S{H}{V2})C{~1}=C{~1}C{~1}=C{~1}1"~1EAG;1"	-	-	C{~1}{H}{SP3}1C(=S{V2})C{~1}=C{~1}C{~1}=C{~1}1"~1EAG;1"	Thiol - thione tautomerism - 1,3-H shift	1.0000|0|0				0			Constant		Undefined	0	0
244	phase I	1.0000000000	0	0	C{~1}1=C(S{H}{V2})C{~1}=C{~1}C{~1}=C{~1}1"~1TG;1"	-	-	C{~1}{H}{SP3}1C(=S{V2})C{~1}=C{~1}C{~1}=C{~1}1"~1TG;1"	Thiol - thione tautomerism - 1,3-H shift	1.0000|0|0				0			Constant		Undefined	0	0
445	phase I	1.0000000000	0	0	C1=C(S{H}{acy}{v2})C2=C(C=C1)C{~1}{@}=C{~1}{@}C{~1}{@}=C{~1}{@}2"~@1Het1;C,N"	-	C1(=S)C{H}2C(C=CC=C2)=CC=C1 c1cc2c(cc1)cc1c(c2S{H})cccc1 C{H}12C(=S)c3c(C=C1C=CC=C2)cccc3 C1=CC2C(C=C1)=CC1=C(C=2S{H})C=CC=C1	C{H}{SP3}1C(=S{ACY}{V2})C2=C(C=C1)C{~1}{@}=C{~1}{@}C{~1}{@}=C{~1}{@}2"~@1Het1;C,N"	Thiol - thione tautomerism - 1,3-H shift(fused-ring arenes)	1.0000|0|0				0			Constant		Undefined	0	0
458	phase I	1.0000000000	0	0	C1(S{H}{acy}{v2})=CC2=C(C=C1)C{~1}{@}=C{~1}{@}C{~1}{@}=C{~1}{@}2"~@1Het1;C,N"	-	-	C1(=S{ACY}{V2})C{H}{sp3}C2=C(C=C1)C{~1}{@}=C{~1}{@}C{~1}{@}=C{~1}{@}2"~@1Het1;C,N"	Thiol - thione tautomerism - 1,3-H shift(fused-ring arenes)	1.0000|0|0				0			Constant		Undefined	0	0
459	phase I	1.0000000000	0	0	C1=C(S{H}{ACY}{V2})C2=C(C=C1)C{~1}{@}=C{~1}{@}C{~1}{@}=C{~1}{@}2"~@1Het1;C,N"	-	-	C1C(=S{ACY}{V2})C2=C(C{H}{sp3}C=1)C{~1}{@}=C{~1}{@}C{~1}{@}=C{~1}{@}2"~@1Het1;C,N"	Thiol - thione tautomerism - 1,5-H shift(fused-ring arenes)	1.0000|0|0				0			Constant		Undefined	0	0
15	phase I	1.0000000000	0	0	C{ACY}{H}{SP3}C{acy}=C{ACY}C{ACY}=S{V2}	-	C{ACY}{H}{SP3}C{ACY}=C{ACY}C{ACY}(=S{V2})OO{H}	C{acy}=C{acy}C{acy}=C{acy}S{H}{V2}	Thione - thiol tautomerism - 1,5-H shift(acy)	1.0000|0|0				0			Constant		Undefined	0	0
16	phase I	1.0000000000	0	0	C{acy}=C{acy}C{acy}=C{acy}S{H}{V2}	-	C{ACY}=C{ACY}C{ACY}=C{ACY}(S{H}{V2})OO{H}	C{ACY}{H}{SP3}C{acy}=C{ACY}C{ACY}=S{V2}	Thiol - thione tautomerism - 1,5-H shift(acy)	1.0000|0|0				0			Constant		Undefined	0	0
248	phase I	1.0000000000	0	0	C{H}{scy}{sp3}C{scy}=C{scy}C{scy}=S{V2}	-	-	C{scy}=C{SCY}C{SCY}=C{SCY}S{H}{V2}	Thione - thiol tautomerism - 1,5-H shift	1.0000|0|0				0			Constant		Undefined	0	0
202	phase I	1.0000000000	0	0	C{scy}=C{SCY}C{SCY}=C{SCY}S{H}{V2}	C{~1}1=C(S{H}{V2})C{~1}=C{~1}C{~1}=C{~1}1"~1EAG;1" C{~1}1=C(S{H}{V2})C{~1}=C{~1}C{~1}=C{~1}1"~1TG;1"	c{~1}{@}1c(S{H}{V2})c2c(cc{~1}{@}1)cccc2"~@1Het1;C,N{>=1}" c{H}1c{H}c2c(c{H}c{H}1)c{H}c{H}c{H}c2S{H}{V2} C{~1}{@}1=C(S{H}{V2})C2=C(C=C{~1}{@}1)C=CC=C2"~@1Het1;C,N{>=1}" C{~1}{@}1C(S{H}{V2})=C2C(=CC{~1}{@}=1)C=CC=C2"~@1Het1;C,N{>=1}" C12C(C=C(S{H}{v2})Enum11)=CC=CC=2 c1cc2c(cc1)C=C(S{H}{v2})Enum12 C1=CC2=C(C=C1)C=C(S{H}{v2})Enum12 C1=C(S{H}{v2})C=CC=C1 C1=C(S{H}{v2})C=CC=C1	C{H}{scy}{sp3}C{scy}=C{scy}C{scy}=S{V2}	Thiol - thione tautomerism - 1,5-H shift(alicyclic)	1.0000|0|0				0			Constant		Undefined	0	0
376	phase I	1.0000000000	0	0	C{~1}{@}1=C(S{H}{V2})C{~1}{@}=C{~1}{@}C=C{~1}{@}1"~@1Het1;C,N{>=1}"	-	-	C{~1}{@}1C(=S{V2})C{~1}{@}=C{~1}{@}C{H}{SP3}C{~1}{@}=1"~@1Het1;C,N{>=1}"	Thiol - thione tautomerism - 1,5-H shift	1.0000|0|0				0			Constant		Undefined	0	0
285	phase I	1.0000000000	0	0	C{~1}1=C(S{H}{V2})C{~1}=C{~1}C{~1}=C{~1}1"~1EAG;1"	-	-	C{~1}1C(=S{V2})C{~1}=C{~1}C{~1}{H}{SP3}C{~1}=1"~1EAG;1"	Thiol - thione tautomerism - 1,5-H shift	1.0000|0|0				0			Constant		Undefined	0	0
269	phase I	1.0000000000	0	0	C{~1}1=C(S{H}{V2})C{~1}=C{~1}C{~1}=C{~1}1"~1TG;1"	-	-	C{~1}1C(=S{V2})C{~1}=C{~1}C{~1}{H}{SP3}C{~1}=1"~1TG;1"	Thiol - thione tautomerism - 1,5-H shift	1.0000|0|0				0			Constant		Undefined	0	0
20	phase I	1.0000000000	0	0	C(=CC{H}{SP3})C=CC=S{V2}	-	-	C(C=C)=CC=CS{H}{V2}	Thione - thiol tautomerism - 1,7-H shift	1.0000|0|0				0			Constant		Undefined	0	0
27	phase I	1.0000000000	0	0	C{acy}(C{acy}=C{acy})=C{acy}C{acy}=C{acy}S{H}{V2}	-	C{ACY}(C{ACY}=C{ACY})=C{ACY}C{ACY}=C{ACY}(S{H}{V2})OO{H}	C{acy}(=C{acy}C{H}{acy}{sp3})C{acy}=C{acy}C{acy}=S{V2}	Thiol - thione tautomerism - 1,7-H shift(acy)	1.0000|0|0				0			Constant		Undefined	0	0
23	phase I	1.0000000000	0	0	C{H}{ACY}{SP3}C{ACY}=[Se]{V2}	-	-	C{acy}=C{acy}[Se]{H}{V2}	Selenone - selenol tautomerism - 1,3-H shift(acy)	1.0000|0|0				0			Constant		Undefined	0	0
24	phase I	1.0000000000	0	0	C{acy}=C{acy}[Se]{H}{V2}	-	-	C{H}{ACY}{SP3}C{ACY}=[Se]{V2}	Selenol - selenone tautomerism - 1,3-H shift(acy)	1.0000|0|0				0			Constant		Undefined	0	0
251	phase I	1.0000000000	0	0	C{H}{SCY}{SP3}C{scy}=[Se]{V2}	-	-	C{SCY}=C{SCY}[Se]{H}{V2}	Selenone - selenol tautomerism - 1,3-H shift	1.0000|0|0				0			Constant		Undefined	0	0
7	phase I	1.0000000000	0	0	C{SCY}=C{SCY}[Se]{H}{V2}	C{~1}1=C([Se]{H}{V2})C{~1}=C{~1}C{~1}=C{~1}1"~1TG;1" C{~1}1=C([Se]{H}{v2})C{~1}=C{~1}C{~1}=C{~1}1"~1EAG;1"	C1C([Se]{H}{V2})=CC=CC=1 c{H}1c([Se]{H}{V2})c2c(c{H}c{H}1)c{H}c{H}c{H}c{H}2	C{H}{SCY}{SP3}C{scy}=[Se]{V2}	Selenol - selenone tautomerism - 1,3-H shift(alicyclic)	1.0000|0|0				0			Constant		Undefined	0	0
298	phase I	1.0000000000	0	0	C{~1}1=C([Se]{H}{V2})C{~1}=C{~1}C{~1}=C{~1}1"~1TG;1"	-	-	C{~1}{H}{sp3}1C(=[Se]{v2})C{~1}=C{~1}C{~1}=C{~1}1"~1TG;1"	Selenol - selenone tautomerism - 1,3-H shift	1.0000|0|0				0			Constant		Undefined	0	0
377	phase I	1.0000000000	0	0	C1=C([Se]{H}{V2})C{~1}{@}=C{~1}{@}C{~1}{@}=C{~1}{@}1"~@1Het1;C,N{>=1}"	-	-	C{H}{sp3}1C(=[Se]{V2})C{~1}{@}=C{~1}{@}C{~1}{@}=C{~1}{@}1"~@1Het1;C,N{>=1}"	Selenol - selenone tautomerism - 1,3-H shift	1.0000|0|0				0			Constant		Undefined	0	0
297	phase I	1.0000000000	0	0	C{~1}1=C([Se]{H}{v2})C{~1}=C{~1}C{~1}=C{~1}1"~1EAG;1"	-	-	C{~1}{H}{SP3}1C(=[Se]{V2})C{~1}=C{~1}C{~1}=C{~1}1"~1EAG;1"	Selenol - selenone tautomerism - 1,3-H shift	1.0000|0|0				0			Constant		Undefined	0	0
25	phase I	1.0000000000	0	0	C{H}{acy}{sp3}C{acy}=C{acy}C{acy}=[Se]{V2}	-	-	C{acy}=C{acy}C{acy}=C{acy}[Se]{H}{V2}	Selenone - selenol tautomerism - 1,5-H shift(acy)	1.0000|0|0				0			Constant		Undefined	0	0
286	phase I	1.0000000000	0	0	C{acy}=C{acy}C{acy}=C{acy}[Se]{H}{V2}	-	-	C{H}{acy}{sp3}C{acy}=C{acy}C{acy}=[Se]{V2}	Selenol - selenone tautomerism - 1,5-H shift(acy)	1.0000|0|0				0			Constant		Undefined	0	0
26	phase I	1.0000000000	0	0	C{scy}=C{SCY}C{SCY}=C{SCY}[Se]{H}{V2}	C{~1}1=C([Se]{H}{v2})C{~1}=C{~1}C{~1}=C{~1}1"~1EAG;1" C{~1}1=C([Se]{H}{V2})C{~1}=C{~1}C{~1}=C{~1}1"~1TG;1"	c1c([Se]{H}{V2})cccc1 c{H}1c([Se]{H}{V2})c2c(c{H}c{H}1)c{H}c{H}c{H}c{H}2 C1C=CC=CC=1[Se]{H}{v2} C1=C([Se]{H}{v2})C=CC=C1	C{H}{scy}{sp3}C{SCY}=C{SCY}C{SCY}=[Se]{V2}	Selenol - selenone tautomerism - 1,5-H shift(alicyclic)	1.0000|0|0				0			Constant		Undefined	0	0
200	phase I	1.0000000000	0	0	C{H}{scy}{sp3}C{SCY}=C{SCY}C{SCY}=[Se]{V2}	-	-	C{scy}=C{SCY}C{SCY}=C{SCY}[Se]{H}{V2}	Selenone - selenol tautomerism - 1,5-H shift	1.0000|0|0				0			Constant		Undefined	0	0
311	phase I	1.0000000000	0	0	C{~1}1=C([Se]{H}{v2})C{~1}=C{~1}C{~1}=C{~1}1"~1EAG;1"	-	-	C{~1}1C(=[Se]{V2})C{~1}=C{~1}C{~1}{H}{sp3}C{~1}=1"~1EAG;1"	Selenol - selenone tautomerism - 1,5-H shift	1.0000|0|0				0			Constant		Undefined	0	0
299	phase I	1.0000000000	0	0	C{~1}1=C([Se]{H}{V2})C{~1}=C{~1}C{~1}=C{~1}1"~1TG;1"	-	-	C{~1}1C(=[Se]{V2})C{~1}=C{~1}C{~1}{H}{SP3}C{~1}=1"~1TG;1"	Selenol - selenone tautomerism - 1,5-H shift	1.0000|0|0				0			Constant		Undefined	0	0
378	phase I	1.0000000000	0	0	C{~1}{@}1=C([Se]{H}{V2})C{~1}{@}=C{~1}{@}C=C{~1}{@}1"~@1Het1;C,N{>=1}"	-	-	C{~1}{@}1C(=[Se]{V2})C{~1}{@}=C{~1}{@}C{H}{sp3}C{~1}{@}=1"~@1Het1;C,N{>=1}"	Selenol - selenone tautomerism - 1,5-H shift	1.0000|0|0				0			Constant		Undefined	0	0
106	phase I	1.0000000000	0	0	C(=CC{H}{sp3})C=CC=[Se]{V2}	-	-	C(C=C)=CC=C[Se]{H}{V2}	Selenone - selenol tautomerism - 1,7-H shift	1.0000|0|0				0			Constant		Undefined	0	0
105	phase I	1.0000000000	0	0	C{acy}(C{acy}=C{acy})=C{acy}C{acy}=C{acy}[Se]{H}{V2}	-	-	C{acy}(=C{acy}C{H}{acy}{sp3})C{acy}=C{acy}C{acy}=[Se]{V2}	Selenol - selenone tautomerism - 1,7-H shift(acy)	1.0000|0|0				0			Constant		Undefined	0	0
495	phase I	1.0000000000	0	0	C{ACY}#C{ACY}[Se]{H}{v2}	-	-	C{H}{ACY}=C{ACY}=[Se]{V2}	Selenoynol - selenoketene tautomerism - 1,3-H shift	1.0000|0|0				0			Constant		Undefined	0	0
33	phase I	1.0000000000	0	0	C{H}{ACY}{SP3}C{ACY}=[Te]{V2}	-	-	C{acy}=C{acy}[Te]{H}{V2}	Tellurone - tellurol tautomerism - 1,3-H shift(acy)	1.0000|0|0				0			Constant		Undefined	0	0
34	phase I	1.0000000000	0	0	C{acy}=C{acy}[Te]{H}{V2}	-	-	C{H}{ACY}{SP3}C{ACY}=[Te]{V2}	Tellurol - tellurone tautomerism - 1,3-H shift(acy)	1.0000|0|0				0			Constant		Undefined	0	0
290	phase I	1.0000000000	0	0	C{SCY}=C{scy}[Te]{H}{V2}	C{~1}1=C([Te]{H}{v2})C{~1}=C{~1}C{~1}=C{~1}1"~1EAG;1" C{~1}1=C([Te]{H}{V2})C{~1}=C{~1}C{~1}=C{~1}1"~1TG;1"	C1C([Te]{H}{v2})=CC=CC=1 c{H}1c([Te]{H}{v2})c2c(c{H}c{H}1)c{H}c{H}c{H}c{H}2 C1=C([Te]{H}{V2})C=CC=C1	C{H}{SCY}{SP3}C{SCY}=[Te]{V2}	Tellurol - tellurone tautomerism - 1,3-H shift	1.0000|0|0				0			Constant		Undefined	0	0
496	phase I	1.0000000000	0	0	C{ACY}#C{ACY}[Te]{H}{v2}	-	-	C{H}{ACY}=C{ACY}=[Te]{V2}	Telluroynol - telluroketene tautomerism - 1,3-H shift	1.0000|0|0				0			Constant		Undefined	0	0
289	phase I	1.0000000000	0	0	C{H}{SCY}{SP3}C{SCY}=[Te]{V2}	-	-	C{SCY}=C{scy}[Te]{H}{V2}	Tellurone - tellurol tautomerism - 1,3-H shift	1.0000|0|0				0			Constant		Undefined	0	0
37	phase I	1.0000000000	0	0	C{H}{acy}{sp3}C{acy}=C{acy}C{acy}=[Te]{V2}	-	-	C{acy}=C{acy}C{acy}=C{acy}[Te]{H}{V2}	Tellurone - tellurol tautomerism - 1,5-H shift(acy)	1.0000|0|0				0			Constant		Undefined	0	0
38	phase I	1.0000000000	0	0	C{acy}=C{acy}C{acy}=C{acy}[Te]{H}{V2}	-	-	C{H}{scy}{sp3}C{scy}=C{scy}C{scy}=[Te]{V2}	Tellurol - tellurone tautomerism - 1,5-H shift(acy)	1.0000|0|0				0			Constant		Undefined	0	0
292	phase I	1.0000000000	0	0	C{H}{scy}{sp3}C{scy}=C{scy}C{scy}=[Te]{V2}	-	-	C{SCY}=C{SCY}C{SCY}=C{SCY}[Te]{H}{V2}	Tellurone - tellurol tautomerism - 1,5-H shift	1.0000|0|0				0			Constant		Undefined	0	0
291	phase I	1.0000000000	0	0	C{SCY}=C{SCY}C{SCY}=C{SCY}[Te]{H}{V2}	C{~1}1=C([Te]{H}{v2})C{~1}=C{~1}C{~1}=C{~1}1"~1EAG;1" C{~1}1=C([Te]{H}{V2})C{~1}=C{~1}C{~1}=C{~1}1"~1TG;1"	C{H}1=C([Te]{H}{V2})C{H}=C{H}C{H}=C{H}1 c{H}1c([Te]{H}{V2})c2c(c{H}c{H}1)c{H}c{H}c{H}c{H}2 C1=C([Te]{H}{v2})C=CC=C1 C1C=CC=CC=1[Te]{H}{v2}	C{H}{scy}{sp3}C{scy}=C{scy}C{scy}=[Te]{V2}	Tellurol - tellurone tautomerism - 1,5-H shift	1.0000|0|0				0			Constant		Undefined	0	0
108	phase I	1.0000000000	0	0	C(=CC{H}{SP3})C=CC=[Te]{V2}	-	-	C(C=C)=CC=C[Te]{H}{V2}	Tellurone - tellurol tautomerism - 1,7-H shift	1.0000|0|0				0			Constant		Undefined	0	0
107	phase I	1.0000000000	0	0	C{acy}(C{acy}=C{acy})=C{acy}C{acy}=C{acy}[Te]{H}{V2}	-	-	C{acy}(=C{acy}C{H}{SP3})C{acy}=C{acy}C{acy}=[Te]{V2}	Tellurol - tellurone tautomerism - 1,7-H shift(acy)	1.0000|0|0				0			Constant		Undefined	0	0
43	phase I	1.0000000000	0	0	N{ACY}{H}{V3}C{ACY}=O	-	-	N{ACY}{V3}=C{ACY}O{H}	Amide - imidol tautomerism - 1,3-H shift(acy)	1.0000|0|0				0			Constant		Undefined	0	0
5	phase I	1.0000000000	0	0	N{ACY}{V3}=C{ACY}O{H}	-	-	N{ACY}{H}{V3}C{ACY}=O	Imidol - amide tautomerism - 1,3-H shift(acy)	1.0000|0|0				0			Constant		Undefined	0	0
45	phase I	1.0000000000	0	0	N{ACY}{H}{V3}C{ACY}=S{V2}	-	-	N{ACY}{V3}=C{ACY}S{H}{V2}	Thioamide - imidothiol tautomerism - 1,3-H shift(acy)	1.0000|0|0				0			Constant		Undefined	0	0
318	phase I	1.0000000000	0	0	N{ACY}{V3}=C{ACY}S{H}{V2}	-	-	N{ACY}{H}{V3}C{ACY}=S{V2}	Imidothiol - thioamide tautomerism - 1,3-H shift(acy)	1.0000|0|0				0			Constant		Undefined	0	0
47	phase I	1.0000000000	0	0	N{ACY}{H}{V3}C{ACY}=[Se]{V2}	-	-	N{ACY}{V3}=C{ACY}[Se]{H}{V2}	Selenoamide - imidoselenol tautomerism - 1,3-H shift(acy)	1.0000|0|0				0			Constant		Undefined	0	0
326	phase I	1.0000000000	0	0	N{ACY}{V3}=C{ACY}[Se]{H}{V2}	-	-	N{ACY}{H}{V3}C{ACY}=[Se]{V2}	Imidoselenol - selenoamide tautomerism - 1,3-H shift(acy)	1.0000|0|0				0			Constant		Undefined	0	0
49	phase I	1.0000000000	0	0	N{ACY}{H}{V3}C{ACY}=[Te]{V2}	-	-	N{ACY}{V3}=C{ACY}[Te]{H}{V2}	Telluroamide - imidotellurol tautomerism - 1,3-H shift(acy)	1.0000|0|0				0			Constant		Undefined	0	0
332	phase I	1.0000000000	0	0	N{ACY}{V3}=C{ACY}[Te]{H}{V2}	-	-	N{ACY}{H}{V3}C{ACY}=[Te]{V2}	Imidotellurol - telluroamide tautomerism - 1,3-H shift(acy)	1.0000|0|0				0			Constant		Undefined	0	0
48	phase I	1.0000000000	0	0	C{SCY}(=O)N{H}{SCY}{V3}	-	-	C{SCY}(O{H})=N{SCY}{V3}	Lactam - lactim tautomerism - 1,3-H shift	1.0000|0|0				0			Constant		Undefined	0	0
51	phase I	1.0000000000	0	0	C{SCY}(O{H})=N{SCY}{V3}	-	-	C{SCY}(=O)N{H}{SCY}{V3}	Lactim - lactam tautomerism - 1,3-H shift	1.0000|0|0				0			Constant		Undefined	0	0
52	phase I	1.0000000000	0	0	C{SCY}(=S{V2})N{H}{SCY}{V3}	-	-	C{SCY}(S{H}{V2})=N{SCY}{V3}	Thiolactam - thiolactim tautomerism - 1,3-H shift	1.0000|0|0				0			Constant		Undefined	0	0
53	phase I	1.0000000000	0	0	C{SCY}(S{H}{V2})=N{SCY}{V3}	-	-	C{SCY}(=S{V2})N{H}{SCY}{V3}	Thiolactim - thiolactam tautomerism - 1,3-H shift	1.0000|0|0				0			Constant		Undefined	0	0
54	phase I	1.0000000000	0	0	C{SCY}(=[Se]{V2})N{H}{SCY}{V3}	-	-	C{SCY}([Se]{H}{V2})=N{SCY}{V3}	Selenolactam - selenolactim tautomerism - 1,3-H shift	1.0000|0|0				0			Constant		Undefined	0	0
55	phase I	1.0000000000	0	0	C{SCY}([Se]{H}{V2})=N{SCY}{V3}	-	-	C{SCY}(=[Se]{V2})N{H}{SCY}{V3}	Selenolactim - selenolactam tautomerism - 1,3-H shift	1.0000|0|0				0			Constant		Undefined	0	0
56	phase I	1.0000000000	0	0	C{SCY}(=[Te]{V2})N{H}{SCY}{V3}	-	-	C{SCY}([Te]{H}{V2})=N{SCY}{V3}	Tellurolactam - tellurolactim tautomerism - 1,3-H shift	1.0000|0|0				0			Constant		Undefined	0	0
57	phase I	1.0000000000	0	0	C{SCY}([Te]{H}{V2})=N{SCY}{V3}	-	-	C{SCY}(=[Te]{V2})N{H}{SCY}{V3}	Tellurolactim - tellurolactam tautomerism - 1,3-H shift	1.0000|0|0				0			Constant		Undefined	0	0
66	phase I	1.0000000000	0	0	C{H}{acy}{sp3}N{ACY}{V5}(=O)=O	-	-	C{acy}=N{ACY}{V5}(=O)O{H}	Nitro - aci-nitro tautomerism - 1,3-H shift(acy)	1.0000|0|0				0			Constant		Undefined	0	0
67	phase I	1.0000000000	0	0	C{acy}=N{ACY}{V5}(=O)O{H}	-	-	C{H}{acy}{sp3}N{ACY}{V5}(=O)=O	Aci-nitro - nitro tautomerism - 1,3-H shift(acy)	1.0000|0|0				0			Constant		Undefined	0	0
516	phase I	1.0000000000	0	0	N{H}{ACY}{V3}(C)N{ACY}{V5}(=O)=O	-	-	N{ACY}{V3}(C)=N{ACY}{V5}(=O)O{H}	N-nitramine - aci-nitroimine tautomerism - 1,3-H shift(acy)	1.0000|0|0				0			Constant		Undefined	0	0
515	phase I	1.0000000000	0	0	N{ACY}{V3}(C)=N{ACY}{V5}(=O)O{H}	-	-	N{H}{ACY}{V3}(C)N{ACY}{V5}(=O)=O	Aci-nitroimine - N-nitramine tautomerism - 1,3-H shift(acy)	1.0000|0|0				0			Constant		Undefined	0	0
381	phase I	1.0000000000	0	0	C{H}{scy}{sp3}N{ACY}{V5}(=O)=O	-	-	C{scy}=N{ACY}{V5}(=O)O{H}	Nitro - aci-nitro tautomerism - 1,3-H shift	1.0000|0|0				0			Constant		Undefined	0	0
380	phase I	1.0000000000	0	0	C{scy}=N{ACY}{V5}(=O)O{H}	-	-	C{H}{scy}{sp3}N{ACY}{V5}(=O)=O	Aci-nitro - nitro tautomerism - 1,3-H shift	1.0000|0|0				0			Constant		Undefined	0	0
383	phase I	1.0000000000	0	0	C(C{ACY}{H}{SP3})=CN{ACY}{V5}(=O)=O	-	C{SCY}(C{H}{acy}{sp3})=C{SCY}N{ACY}{V5}(=O)=O	C(=C{ACY})C=N{ACY}{V5}(=O)O{H}	Nitro - aci-nitro tautomerism - 1,5-H shift	1.0000|0|0				0			Constant		Undefined	0	0
382	phase I	1.0000000000	0	0	C(=C{ACY})C=N{ACY}{V5}(=O)O{H}	-	C{SCY}(=C{ACY})C{SCY}=N{ACY}{V5}(=O)O{H}	C(C{ACY}{H}{SP3})=CN{ACY}{V5}(=O)=O	Aci-nitro - nitro tautomerism - 1,5-H shift	1.0000|0|0				0			Constant		Undefined	0	0
70	phase I	1.0000000000	0	0	C{SCY}(C{H}{acy}{sp3})=C{SCY}N{ACY}{V5}(=O)=O	-	-	C{SCY}(=C{ACY})C{SCY}=N{ACY}{V5}(=O)O{H}	Nitro - aci-nitro tautomerism - 1,5-H shift(EWG-nonIR)	1.0000|0|0				0			Constant		Undefined	0	0
71	phase I	1.0000000000	0	0	C{SCY}(=C{ACY})C{SCY}=N{ACY}{V5}(=O)O{H}	-	-	C{SCY}(C{H}{acy}{sp3})=C{SCY}N{ACY}{V5}(=O)=O	Aci-nitro - nitro tautomerism - 1,5-H shift(EWG-nonIR)	1.0000|0|0				0			Constant		Undefined	0	0
333	phase I	1.0000000000	0	0	C(O{H})=CN{ACY}{V5}(=O)=O	-	C{SCY}(O{H})=C{SCY}N{ACY}{V5}(=O)=O	C(=O)C=N{ACY}{V5}(=O)O{H}	Nitro - aci-nitro tautomerism - 1,5-H shift(OH)	1.0000|0|0				0			Constant		Undefined	0	0
72	phase I	1.0000000000	0	0	C(=O)C=N{ACY}{V5}(=O)O{H}	-	C{SCY}(=O)C{SCY}=N{ACY}{V5}(=O)O{H}	C(O{H})=CN{ACY}{V5}(=O)=O	Aci-nitro - nitro tautomerism - 1,5-H shift(OH)	1.0000|0|0				0			Constant		Undefined	0	0
385	phase I	1.0000000000	0	0	C{SCY}(O{H})=C{SCY}N{ACY}{V5}(=O)=O	-	-	C{SCY}(=O)C{SCY}=N{ACY}{V5}(=O)O{H}	Nitro - aci-nitro tautomerism - 1,5-H shift(OH)(EWG-nonIR)	1.0000|0|0				0			Constant		Undefined	0	0
384	phase I	1.0000000000	0	0	C{SCY}(=O)C{SCY}=N{ACY}{V5}(=O)O{H}	-	-	C{SCY}(O{H})=C{SCY}N{ACY}{V5}(=O)=O	Aci-nitro - nitro tautomerism - 1,5-H shift(OH)(EWG-nonIR)	1.0000|0|0				0			Constant		Undefined	0	0
73	phase I	1.0000000000	0	0	C{scy}(N{ACY}{H}{V3})=C{scy}N{ACY}{V5}(=O)=O	-	-	C{SCY}(=N{ACY}{V3})C{SCY}=N{ACY}{V5}(=O)O{H}	Nitro - aci-nitro tautomerism - 1,5-H shift(NH)(EWG-nonIR)	1.0000|0|0				0			Constant		Undefined	0	0
74	phase I	1.0000000000	0	0	C{SCY}(=N{ACY}{V3})C{SCY}=N{ACY}{V5}(=O)O{H}	-	-	C{scy}(N{ACY}{H}{V3})=C{scy}N{ACY}{V5}(=O)=O	Aci-nitro - nitro tautomerism - 1,5-H shift(NH)(EWG-nonIR)	1.0000|0|0				0			Constant		Undefined	0	0
371	phase I	1.0000000000	0	0	C(N{ACY}{H}{V3})=CN{ACY}{V5}(=O)=O	-	C{scy}(N{ACY}{H}{V3})=C{scy}N{ACY}{V5}(=O)=O	C(=N{ACY}{V3})C=N{ACY}{V5}(=O)O{H}	Nitro - aci-nitro tautomerism - 1,5-H shift(NH)	1.0000|0|0				0			Constant		Undefined	0	0
351	phase I	1.0000000000	0	0	C(=N{ACY}{V3})C=N{ACY}{V5}(=O)O{H}	-	C{SCY}(=N{ACY}{V3})C{SCY}=N{ACY}{V5}(=O)O{H}	C(N{ACY}{H}{V3})=CN{ACY}{V5}(=O)=O	Aci-nitro - nitro tautomerism - 1,5-H shift(NH)	1.0000|0|0				0			Constant		Undefined	0	0
393	phase I	1.0000000000	0	0	C(S{H}{v2})=CN{ACY}{V5}(=O)=O	-	C{scy}(S{ACY}{H}{V2})=C{scy}N{ACY}{V5}(=O)=O	C(=S{V2})C=N{ACY}{V5}(=O)O{H}	Nitro - aci-nitro tautomerism - 1,5-H shift(SH)	1.0000|0|0				0			Constant		Undefined	0	0
392	phase I	1.0000000000	0	0	C(=S{V2})C=N{ACY}{V5}(=O)O{H}	-	C{SCY}(=S{ACY}{V2})C{SCY}=N{ACY}{V5}(=O)O{H}	C(S{H}{v2})=CN{ACY}{V5}(=O)=O	Aci-nitro - nitro tautomerism - 1,5-H shift(SH)	1.0000|0|0				0			Constant		Undefined	0	0
30	phase I	1.0000000000	0	0	C{scy}(S{ACY}{H}{V2})=C{scy}N{ACY}{V5}(=O)=O	-	-	C{SCY}(=S{ACY}{V2})C{SCY}=N{ACY}{V5}(=O)O{H}	Nitro - aci-nitro tautomerism - 1,5-H shift(SH)(EWG-nonIR)	1.0000|0|0				0			Constant		Undefined	0	0
29	phase I	1.0000000000	0	0	C{SCY}(=S{ACY}{V2})C{SCY}=N{ACY}{V5}(=O)O{H}	-	-	C{scy}(S{ACY}{H}{V2})=C{scy}N{ACY}{V5}(=O)=O	Aci-nitro - nitro tautomerism - 1,5-H shift(SH)(EWG-nonIR)	1.0000|0|0				0			Constant		Undefined	0	0
399	phase I	1.0000000000	0	0	C(N{ACY}{V5}(=O)=O)=CC=CO{H}	-	C{~1}1C(N{V5}(=O)=O)=C{~1}C=C(O{H})C=1"~1EAG;1"	C(=N{ACY}{V5}(=O)O{H})C=CC=O	Nitro - aci-nitro tautomerism - 1,7-H shift(OH)	1.0000|0|0				0			Constant		Undefined	0	0
396	phase I	1.0000000000	0	0	C(=N{ACY}{V5}(=O)O{H})C=CC=O	-	C{~1}1C(=N{V5}(=O)O{H})C{~1}=CC(=O)C=1"~1EAG;1"	C(N{ACY}{V5}(=O)=O)=CC=CO{H}	Aci-nitro - nitro tautomerism - 1,7-H shift(OH)	1.0000|0|0				0			Constant		Undefined	0	0
395	phase I	1.0000000000	0	0	C{~1}1C(N{V5}(=O)=O)=C{~1}C=C(O{H})C=1"~1EAG;1"	-	-	C{~1}1C(=N{V5}(=O)O{H})C{~1}=CC(=O)C=1"~1EAG;1"	Nitro - aci-nitro tautomerism - 1,7-H shift(o-EWG-Hbond)(OH)	1.0000|0|0				0			Constant		Undefined	0	0
394	phase I	1.0000000000	0	0	C{~1}1C(=N{V5}(=O)O{H})C{~1}=CC(=O)C=1"~1EAG;1"	-	-	C{~1}1C(N{V5}(=O)=O)=C{~1}C=C(O{H})C=1"~1EAG;1"	Aci-nitro - nitro tautomerism - 1,7-H shift(o-EWG-Hbond)(OH)	1.0000|0|0				0			Constant		Undefined	0	0
401	phase I	1.0000000000	0	0	C{~1}1C(N{V5}(=O)=O)=C{~1}C=C(S{H}{v2})C=1"~1EAG;1"	-	-	C{~1}1C(=N{V5}(=O)O{H})C{~1}=CC(=S{V2})C=1"~1EAG;1"	Nitro - aci-nitro tautomerism - 1,7-H shift(o-EWG-Hbond)(SH)	1.0000|0|0				0			Constant		Undefined	0	0
400	phase I	1.0000000000	0	0	C{~1}1C(=N{V5}(=O)O{H})C{~1}=CC(=S{V2})C=1"~1EAG;1"	-	-	C{~1}1C(N{V5}(=O)=O)=C{~1}C=C(S{H}{v2})C=1"~1EAG;1"	Aci-nitro - nitro tautomerism - 1,7-H shift(o-EWG-Hbond)(SH)	1.0000|0|0				0			Constant		Undefined	0	0
403	phase I	1.0000000000	0	0	C(N{ACY}{V5}(=O)=O)=CC=CS{H}{V2}	-	C{~1}1C(N{V5}(=O)=O)=C{~1}C=C(S{H}{v2})C=1"~1EAG;1"	C(=N{ACY}{V5}(O{H})=O)C=CC=S{V2}	Nitro - aci-nitro tautomerism - 1,7-H shift(SH)	1.0000|0|0				0			Constant		Undefined	0	0
402	phase I	1.0000000000	0	0	C(=N{ACY}{V5}(O{H})=O)C=CC=S{V2}	-	C{~1}1C(=N{V5}(=O)O{H})C{~1}=CC(=S{V2})C=1"~1EAG;1"	C(N{ACY}{V5}(=O)=O)=CC=CS{H}{V2}	Aci-nitro - nitro tautomerism - 1,7-H shift(SH)	1.0000|0|0				0			Constant		Undefined	0	0
497	phase I	1.0000000000	0	0	C(N{ACY}{V5}(=O)=O)=CC=CC{H}{sp3}	-	-	C(=N{ACY}{V5}(O{H})=O)C=CC=C{SP2}	Nitro - aci-nitro tautomerism - 1,7-H shift	1.0000|0|0				0			Constant		Undefined	0	0
278	phase I	1.0000000000	0	0	C(=N{ACY}{V5}(O{H})=O)C=CC=C{SP2}	-	-	C(N{ACY}{V5}(=O)=O)=CC=CC{H}{sp3}	Aci-nitro - nitro tautomerism - 1,7-H shift	1.0000|0|0				0			Constant		Undefined	0	0
75	phase I	1.0000000000	0	0	C{H}{acy}{sp3}N{ACY}{V3}=O	-	-	C{acy}=N{ACY}{V3}O{H}	Nitroso - oxime tautomerism - 1,3-H shift(acy)	1.0000|0|0				0			Constant		Undefined	0	0
76	phase I	1.0000000000	0	0	C{acy}=N{ACY}{V3}O{H}	-	-	C{H}{acy}{sp3}N{ACY}{V3}=O	Oxime - nitroso tautomerism - 1,3-H shift(acy)	1.0000|0|0				0			Constant		Undefined	0	0
405	phase I	1.0000000000	0	0	C{H}{scy}{sp3}N{ACY}{V3}=O	-	-	C{scy}=N{ACY}{V3}O{H}	Nitroso - oxime tautomerism - 1,3-H shift	1.0000|0|0				0			Constant		Undefined	0	0
404	phase I	1.0000000000	0	0	C{scy}=N{ACY}{V3}O{H}	-	-	C{H}{scy}{sp3}N{ACY}{V3}=O	Oxime - nitroso tautomerism - 1,3-H shift	1.0000|0|0				0			Constant		Undefined	0	0
77	phase I	1.0000000000	0	0	N{H}{acy}{sp3}{v3}N{acy}{v3}=O	-	-	N{ACY}{V3}=N{ACY}{V3}O{H}	N-Nitrosoamine - oxime tautomerism - 1,3-H shift(acy)	1.0000|0|0				0			Constant		Undefined	0	0
78	phase I	1.0000000000	0	0	N{ACY}{V3}=N{ACY}{V3}O{H}	-	-	N{H}{acy}{sp3}{v3}N{acy}{v3}=O	Oxime - N-Nitroso tautomerism - 1,3-H shift(acy)	1.0000|0|0				0			Constant		Undefined	0	0
501	phase I	1.0000000000	0	0	N{ACY}{H}{SP3}{V3}N{ACY}{V3}=S{v2}	-	-	N{ACY}{V3}=N{ACY}{V3}S{H}{V2}	N-thionitrosoamine - thiooxime tautomerism - 1,3-H shift(acy)	1.0000|0|0				0			Constant		Undefined	0	0
500	phase I	1.0000000000	0	0	N{ACY}{V3}=N{ACY}{V3}S{H}{V2}	-	-	N{ACY}{H}{SP3}{V3}N{ACY}{V3}=S{v2}	Thiooxime - N-thionitrosoamine tautomerism - 1,3-H shift(acy)	1.0000|0|0				0			Constant		Undefined	0	0
503	phase I	1.0000000000	0	0	N{H}{ACY}{SP3}{V3}N{ACY}{V3}=[Se]{v2}	-	-	N{acy}{v3}=N{ACY}{V3}[Se]{H}{V2}	N-selenonitrosoamine - thiooxime tautomerism - 1,3-H shift(acy)	1.0000|0|0				0			Constant		Undefined	0	0
502	phase I	1.0000000000	0	0	N{acy}{v3}=N{ACY}{V3}[Se]{H}{V2}	-	-	N{H}{ACY}{SP3}{V3}N{ACY}{V3}=[Se]{v2}	Thiooxime - N-selenonitrosoamine tautomerism - 1,3-H shift(acy)	1.0000|0|0				0			Constant		Undefined	0	0
505	phase I	1.0000000000	0	0	N{ACY}{H}{SP3}{V3}N{ACY}{V3}=[Te]{v2}	-	-	N{ACY}{V3}=N{ACY}{V3}[Te]{H}{V2}	N-telluronitrosoamine - thiooxime tautomerism - 1,3-H shift(acy)	1.0000|0|0				0			Constant		Undefined	0	0
504	phase I	1.0000000000	0	0	N{ACY}{V3}=N{ACY}{V3}[Te]{H}{V2}	-	-	N{ACY}{H}{SP3}{V3}N{ACY}{V3}=[Te]{v2}	Thiooxime - N-telluronitrosoamine tautomerism - 1,3-H shift(acy)	1.0000|0|0				0			Constant		Undefined	0	0
36	phase I	1.0000000000	0	0	C(C=CO{H})=CN{V3}=O	-	C1C{~1}=C(N{V3}=O)C{~1}=CC=1O{H}"~1EAG;1"	C(=CC=O)C=N{V3}O{H}	Nitroso - oxime tautomerism - 1,7-H shift(OH)	1.0000|0|0				0			Constant		Undefined	0	0
35	phase I	1.0000000000	0	0	C(=CC=O)C=N{V3}O{H}	-	C1=C{~1}C(=N{V3}O{H})C{~1}=CC1=O"~1EAG;1"	C(C=CO{H})=CN{V3}=O	Oxime - nitroso tautomerism - 1,7-H shift(OH)	1.0000|0|0				0			Constant		Undefined	0	0
407	phase I	1.0000000000	0	0	C1C{~1}=C(N{V3}=O)C{~1}=CC=1O{H}"~1EAG;1"	-	-	C1=C{~1}C(=N{V3}O{H})C{~1}=CC1=O"~1EAG;1"	Nitroso - oxime tautomerism - 1,7-H shift(o-EWG-Hbond)(arenols)	1.0000|0|0				0			Constant		Undefined	0	0
406	phase I	1.0000000000	0	0	C1=C{~1}C(=N{V3}O{H})C{~1}=CC1=O"~1EAG;1"	-	-	C1C{~1}=C(N{V3}=O)C{~1}=CC=1O{H}"~1EAG;1"	Oxime - nitroso tautomerism - 1,7-H shift(o-EWG-Hbond)(arenols)	1.0000|0|0				0			Constant		Undefined	0	0
109	phase I	1.0000000000	0	0	C1C{~1}=C(N{V3}=O)C{~1}=CC=1S{H}{v2}"~1EAG;1"	-	-	C1=C{~1}C(=N{V3}O{H})C{~1}=CC1=S{v2}"~1EAG;1"	Nitroso - oxime tautomerism - 1,7-H shift(o-EWG-Hbond)(arenethiols)	1.0000|0|0				0			Constant		Undefined	0	0
90	phase I	1.0000000000	0	0	C1=C{~1}C(=N{V3}O{H})C{~1}=CC1=S{v2}"~1EAG;1"	-	-	C1C{~1}=C(N{V3}=O)C{~1}=CC=1S{H}{v2}"~1EAG;1"	Oxime - nitroso tautomerism - 1,7-H shift(o-EWG-Hbond)(arenethiols)	1.0000|0|0				0			Constant		Undefined	0	0
40	phase I	1.0000000000	0	0	C(C=CS{H}{v2})=CN{V3}=O	-	C1C{~1}=C(N{V3}=O)C{~1}=CC=1S{H}{v2}"~1EAG;1"	C(=CC=S{V2})C=N{V3}O{H}	Nitroso - oxime tautomerism - 1,7-H shift(SH)	1.0000|0|0				0			Constant		Undefined	0	0
39	phase I	1.0000000000	0	0	C(=CC=S{V2})C=N{V3}O{H}	-	C1=C{~1}C(=N{V3}O{H})C{~1}=CC1=S{v2}"~1EAG;1"	C(C=CS{H}{v2})=CN{V3}=O	Oxime - nitroso tautomerism - 1,7-H shift(SH)	1.0000|0|0				0			Constant		Undefined	0	0
510	phase I	1.0000000000	0	0	C(=CC=N{ACY}{V3})C=N{V3}O{H}	-	C1=C{~1}C(=N{V3}O{H})C{~1}=CC1=N{ACY}{V3}"~1EAG;1"	C(C=CN{H}{acy}{v3})=CN{V3}=O	Oxime - nitroso tautomerism - 1,7-H shift(NH)	1.0000|0|0				0			Constant		Undefined	0	0
509	phase I	1.0000000000	0	0	C(C=CN{H}{acy}{v3})=CN{V3}=O	-	C1C{~1}=C(N{V3}=O)C{~1}=CC=1N{ACY}{H}{V3}"~1EAG;1"	C(=CC=N{ACY}{V3})C=N{V3}O{H}	Nitroso - oxime tautomerism - 1,7-H shift(NH)	1.0000|0|0				0			Constant		Undefined	0	0
512	phase I	1.0000000000	0	0	C1C{~1}=C(N{V3}=O)C{~1}=CC=1N{ACY}{H}{V3}"~1EAG;1"	-	-	C1=C{~1}C(=N{V3}O{H})C{~1}=CC1=N{ACY}{V3}"~1EAG;1"	Nitroso - oxime tautomerism - 1,7-H shift(o-EWG-Hbond)(arenamines)	1.0000|0|0				0			Constant		Undefined	0	0
511	phase I	1.0000000000	0	0	C1=C{~1}C(=N{V3}O{H})C{~1}=CC1=N{ACY}{V3}"~1EAG;1"	-	-	C1C{~1}=C(N{V3}=O)C{~1}=CC=1N{ACY}{H}{V3}"~1EAG;1"	Oxime - nitroso tautomerism - 1,7-H shift(o-EWG-Hbond)(arenamines)	1.0000|0|0				0			Constant		Undefined	0	0
409	phase I	1.0000000000	0	0	O{H}C=CN{ACY}{V3}=O	-	O{H}C{SCY}=C{SCY}N{ACY}{V3}=O	O=CC=N{ACY}{V3}O{H}	Nitroso - oxime tautomerism - 1,5-H shift(OH)	1.0000|0|0				0			Constant		Undefined	0	0
408	phase I	1.0000000000	0	0	O=CC=N{ACY}{V3}O{H}	-	O=C{scy}C{scy}=N{ACY}{V3}O{H}	O{H}C=CN{ACY}{V3}=O	Oxime - nitroso tautomerism - 1,5-H shift(OH)	1.0000|0|0				0			Constant		Undefined	0	0
112	phase I	1.0000000000	0	0	O=C{scy}C{scy}=N{ACY}{V3}O{H}	-	-	O{H}C{SCY}=C{SCY}N{ACY}{V3}=O	Oxime - nitroso tautomerism - 1,5-H shift(OH)(EWG-nonIR)	1.0000|0|0				0			Constant		Undefined	0	0
110	phase I	1.0000000000	0	0	O{H}C{SCY}=C{SCY}N{ACY}{V3}=O	-	-	O=C{scy}C{scy}=N{ACY}{V3}O{H}	Nitroso - oxime tautomerism - 1,5-H shift(OH)(EWG-nonIR)	1.0000|0|0				0			Constant		Undefined	0	0
412	phase I	1.0000000000	0	0	N{ACY}{V3}=C{scy}C{scy}=N{ACY}{V3}O{H}	-	-	N{H}{ACY}{V3}C{SCY}=C{SCY}N{ACY}{V3}=O	Oxime - nitroso tautomerism - 1,5-H shift(NH)(EWG-nonIR)	1.0000|0|0				0			Constant		Undefined	0	0
415	phase I	1.0000000000	0	0	N{H}{ACY}{V3}C{SCY}=C{SCY}N{ACY}{V3}=O	-	-	N{ACY}{V3}=C{scy}C{scy}=N{ACY}{V3}O{H}	Nitroso - oxime tautomerism - 1,5-H shift(NH)(EWG-nonIR)	1.0000|0|0				0			Constant		Undefined	0	0
65	phase I	1.0000000000	0	0	N{ACY}{V3}=CC=N{ACY}{V3}O{H}	-	N{ACY}{V3}=C{scy}C{scy}=N{ACY}{V3}O{H}	N{H}{ACY}{V3}C=CN{ACY}{V3}=O	Oxime - nitroso tautomerism - 1,5-H shift(NH)	1.0000|0|0				0			Constant		Undefined	0	0
413	phase I	1.0000000000	0	0	N{H}{ACY}{V3}C=CN{ACY}{V3}=O	-	N{H}{ACY}{V3}C{SCY}=C{SCY}N{ACY}{V3}=O	N{ACY}{V3}=CC=N{ACY}{V3}O{H}	Nitroso - oxime tautomerism - 1,5-H shift(NH)	1.0000|0|0				0			Constant		Undefined	0	0
411	phase I	1.0000000000	0	0	S{H}{V2}C{scy}=C{scy}N{ACY}{V3}=O	-	-	S{V2}=C{SCY}C{SCY}=N{ACY}{V3}O{H}	Nitroso - oxime tautomerism - 1,5-H shift(SH)(EWG-nonIR)	1.0000|0|0				0			Constant		Undefined	0	0
410	phase I	1.0000000000	0	0	S{V2}=C{SCY}C{SCY}=N{ACY}{V3}O{H}	-	-	S{H}{V2}C{scy}=C{scy}N{ACY}{V3}=O	Oxime - nitroso tautomerism - 1,5-H shift(SH)(EWG-nonIR)	1.0000|0|0				0			Constant		Undefined	0	0
32	phase I	1.0000000000	0	0	S{H}{V2}C=CN{ACY}{V3}=O	-	S{H}{V2}C{scy}=C{scy}N{ACY}{V3}=O	S{V2}=CC=N{ACY}{V3}O{H}	Nitroso - oxime tautomerism - 1,5-H shift(SH)	1.0000|0|0				0			Constant		Undefined	0	0
31	phase I	1.0000000000	0	0	S{V2}=CC=N{ACY}{V3}O{H}	-	S{V2}=C{SCY}C{SCY}=N{ACY}{V3}O{H}	S{H}{V2}C=CN{ACY}{V3}=O	Oxime - nitroso tautomerism - 1,5-H shift(SH)	1.0000|0|0				0			Constant		Undefined	0	0
337	phase I	1.0000000000	0	0	C{~1}{@}1=C{~1}{@}C{~1}{@}=C{~1}{@}C(O{H})=N{V3}1"~@1Het1;C,N"	-	-	C{~1}{@}1=C{~1}{@}C{~1}{@}=C{~1}{@}C(=O)N{H}{V3}1"~@1Het1;C,N"	1,3-H shift in N-heteroarenols	1.0000|0|0				0			Constant		Undefined	0	0
92	phase I	1.0000000000	0	0	C{~1}{@}1=C{~1}{@}C{~1}{@}=C{~1}{@}C(=O)N{H}{V3}1"~@1Het1;C,N"	-	-	C{~1}{@}1=C{~1}{@}C{~1}{@}=C{~1}{@}C(O{H})=N{V3}1"~@1Het1;C,N"	1,3-H shift in N-heteroarenols	1.0000|0|0				0			Constant		Undefined	0	0
339	phase I	1.0000000000	0	0	C{~1}{@}1=C{~1}{@}C{~1}{@}=C{~1}{@}C(S{H}{v2})=N{V3}1"~@1Het1;C,N"	-	-	C{~1}{@}1=C{~1}{@}C{~1}{@}=C{~1}{@}C(S{H}{v2})=N{V3}1"~@1Het1;C,N"	1,3-H shift in N-heterothiols	1.0000|0|0				0			Constant		Undefined	0	0
338	phase I	1.0000000000	0	0	C{~1}{@}1=C{~1}{@}C{~1}{@}=C{~1}{@}C(S{H}{v2})=N{V3}1"~@1Het1;C,N"	-	-	C{~1}{@}1=C{~1}{@}C{~1}{@}=C{~1}{@}C(S{H}{v2})=N{V3}1"~@1Het1;C,N"	1,3-H shift in N-heterothiols	1.0000|0|0				0			Constant		Undefined	0	0
452	phase I	1.0000000000	0	0	C{~1}{@}1=C{~1}{@}C{~1}{@}=C{~1}{@}C(C{H}{ACY}{SP3})=N{V3}1"~@1Het1;C,N"	-	-	C{~1}{@}1=C{~1}{@}C{~1}{@}=C{~1}{@}C(=C{acy}{sp2})N{H}{V3}1"~@1Het1;C,N"	1,3-H shift in alkyl-N-heteroarenes	1.0000|0|0				0			Constant		Undefined	0	0
387	phase I	1.0000000000	0	0	C{~1}{@}1=C{~1}{@}C{~1}{@}=C{~1}{@}C(=C{acy}{sp2})N{H}{V3}1"~@1Het1;C,N"	-	-	C{~1}{@}1=C{~1}{@}C{~1}{@}=C{~1}{@}C(C{H}{ACY}{SP3})=N{V3}1"~@1Het1;C,N"	1,3-H shift in alkyl-N-heteroarenes	1.0000|0|0				0			Constant		Undefined	0	0
343	phase I	1.0000000000	0	0	C{~1}{@}1=C{~1}{@}C(O{H})=C{~1}{@}C{~1}{@}=N{V3}1"~@1Het1;C,N"	-	-	C{~1}{@}1=C{~1}{@}C(=O)C{~1}{@}=C{~1}{@}N{H}{V3}1"~@1Het1;C,N"	1,5-H shift in N-heteroarenols	1.0000|0|0				0			Constant		Undefined	0	0
342	phase I	1.0000000000	0	0	C{~1}{@}1=C{~1}{@}C(=O)C{~1}{@}=C{~1}{@}N{H}{V3}1"~@1Het1;C,N"	-	-	C{~1}{@}1=C{~1}{@}C(O{H})=C{~1}{@}C{~1}{@}=N{V3}1"~@1Het1;C,N"	1,5-H shift in N-heteroarenols	1.0000|0|0				0			Constant		Undefined	0	0
341	phase I	1.0000000000	0	0	C{~1}{@}1=C{~1}{@}C(N{ACY}{H}{V3})=C{~1}{@}C{~1}{@}=N{V3}1"~@1Het1;C,N"	-	-	C{~1}{@}1=C{~1}{@}C(=N{ACY}{V3})C{~1}{@}=C{~1}{@}N{H}{V3}1"~@1Het1;C,N"	1,5-H shift in N-heterocyclic amines	1.0000|0|0				0			Constant		Undefined	0	0
340	phase I	1.0000000000	0	0	C{~1}{@}1=C{~1}{@}C(=N{ACY}{V3})C{~1}{@}=C{~1}{@}N{H}{V3}1"~@1Het1;C,N"	-	-	C{~1}{@}1=C{~1}{@}C(N{ACY}{H}{V3})=C{~1}{@}C{~1}{@}=N{V3}1"~@1Het1;C,N"	1,5-H shift in N-heterocyclic amines	1.0000|0|0				0			Constant		Undefined	0	0
485	phase I	1.0000000000	0	0	C{~1}{@}1=C{~1}{@}C(N{ACY}{H}{V3})=C{~1}{@}C{~1}{@}=N{V3}1"~@1Het1;C,N"	-	-	C{~1}{@}1=C{~1}{@}C(=N{ACY}{V3})C{~1}{@}=C{~1}{@}N{H}{V3}1"~@1Het1;C,N"	1,5-H shift in N-heterothiols	1.0000|0|0				0			Constant		Undefined	0	0
453	phase I	1.0000000000	0	0	C{~1}{@}1=C{~1}{@}C(=N{ACY}{V3})C{~1}{@}=C{~1}{@}N{H}{V3}1"~@1Het1;C,N"	-	-	C{~1}{@}1=C{~1}{@}C(N{ACY}{H}{V3})=C{~1}{@}C{~1}{@}=N{V3}1"~@1Het1;C,N"	1,5-H shift in N-heterothiols	1.0000|0|0				0			Constant		Undefined	0	0
507	phase I	1.0000000000	0	0	C{~1}{@}1=C{~1}{@}C(C{H}{acy}{sp3})=C{~1}{@}C{~1}{@}=N{V3}1"~@1Het1;C,N"	-	-	C{~1}{@}1=C{~1}{@}C(=C{ACY}{SP2})C{~1}{@}=C{~1}{@}N{H}{V3}1"~@1Het1;C,N"	1,5-H shift in alkyl-N-heteroarenes	1.0000|0|0				0			Constant		Undefined	0	0
508	phase I	1.0000000000	0	0	C{~1}{@}1=C{~1}{@}C(=C{ACY}{SP2})C{~1}{@}=C{~1}{@}N{H}{V3}1"~@1Het1;C,N"	-	-	C{~1}{@}1=C{~1}{@}C(C{H}{acy}{sp3})=C{~1}{@}C{~1}{@}=N{V3}1"~@1Het1;C,N"	1,5-H shift in alkyl-N-heteroarenes	1.0000|0|0				0			Constant		Undefined	0	0
123	phase I	1.0000000000	0	0	N{V3}=CN{H}{V3}	-	-	N{H}{V3}C=N{V3}	Amine - imine tautomerism - 1,3-H shift	1.0000|0|0				0			Constant		Undefined	0	0
122	phase I	1.0000000000	0	0	N{H}{V3}C=N{V3}	-	-	N{V3}=CN{H}{V3}	Imine - amine tautomerism - 1,3-H shift	1.0000|0|0				0			Constant		Undefined	0	0
134	phase I	1.0000000000	0	0	N{V3}(C)=N{V3}N{H}{V3}C	-	-	N{H}{V3}(C)N{V3}=N{V3}C	Amino-diazo - diazo-amino tautomerism - 1,3-H shift	1.0000|0|0				0			Constant		Undefined	0	0
133	phase I	1.0000000000	0	0	N{H}{V3}(C)N{V3}=N{V3}C	-	-	N{V3}(C)=N{V3}N{H}{V3}C	Diazo-amino - amino-diazo tautomerism - 1,3-H shift	1.0000|0|0				0			Constant		Undefined	0	0
280	phase I	1.0000000000	0	0	N{H}{acy}{v3}=N{acy}{v3}N{H}{acy}{v3}C	-	-	N{H2}{ACY}{V3}N{ACY}{V3}=N{ACY}{V3}C	Amino-diazo - diazo-amino tautomerism - 1,3-H shift(acy)	1.0000|0|0				0			Constant		Undefined	0	0
279	phase I	1.0000000000	0	0	N{H2}{ACY}{V3}N{ACY}{V3}=N{ACY}{V3}C	-	-	N{H}{acy}{v3}=N{acy}{v3}N{H}{acy}{v3}C	Diazo-amino - amino-diazo tautomerism - 1,3-H shift(acy)	1.0000|0|0				0			Constant		Undefined	0	0
140	phase I	1.0000000000	0	0	CN{H}{acy}{v3}P{ACY}{V3}=N{acy}{v3}	-	-	CN{acy}{v3}=P{ACY}{V3}N{H}{acy}{v3}	Phosphenimidamide(1) - phosphenimidamide(2) tautomerism - 1,3 H-shift(acy)	1.0000|0|0				0			Constant		Undefined	0	0
146	phase I	1.0000000000	0	0	CN{acy}{v3}=P{ACY}{V3}N{H}{acy}{v3}	-	-	CN{H}{acy}{v3}P{ACY}{V3}=N{acy}{v3}	Phosphenimidamide(2) - phosphenimidamide(1) tautomerism - 1,3 H-shift(acy)	1.0000|0|0				0			Constant		Undefined	0	0
145	phase I	1.0000000000	0	0	N{ACY}{V3}(C)=P{ACY}{V3}O{H}	-	-	N{H}{ACY}{V3}(C)P{ACY}{V3}=O	Phosphenous imidol - phosphenous amide tautomerism - 1,3-H shift(acy)	1.0000|0|0				0			Constant		Undefined	0	0
144	phase I	1.0000000000	0	0	N{H}{ACY}{V3}(C)P{ACY}{V3}=O	-	-	N{ACY}{V3}(C)=P{ACY}{V3}O{H}	Phosphenous amide - phosphenous imidol tautomerism - 1,3-H shift(acy)	1.0000|0|0				0			Constant		Undefined	0	0
143	phase I	1.0000000000	0	0	N{ACY}{V3}(C)=P{ACY}{V3}S{H}{V2}	-	-	N{H}{ACY}{V3}(C)P{ACY}{V3}=S{V2}	Phosphenous imidothiol - phosphenous thioamide tautomerism - 1,3-H shift(acy)	1.0000|0|0				0			Constant		Undefined	0	0
142	phase I	1.0000000000	0	0	N{H}{ACY}{V3}(C)P{ACY}{V3}=S{V2}	-	-	N{ACY}{V3}(C)=P{ACY}{V3}S{H}{V2}	Phosphenous thioamide - phosphenous imidothiol tautomerism - 1,3-H shift(acy)	1.0000|0|0				0			Constant		Undefined	0	0
141	phase I	1.0000000000	0	0	N{ACY}{V3}(C)=P{ACY}{V3}[Se]{H}{V2}	-	-	N{H}{ACY}{V3}(C)P{ACY}{V3}=[Se]{V2}	Phosphenous imidoselenol - phosphenous selenoamide tautomerism - 1,3-H shift(acy)	1.0000|0|0				0			Constant		Undefined	0	0
139	phase I	1.0000000000	0	0	N{H}{ACY}{V3}(C)P{ACY}{V3}=[Se]{V2}	-	-	N{ACY}{V3}(C)=P{ACY}{V3}[Se]{H}{V2}	Phosphenous selenoamide - phosphenous imidoselenol tautomerism - 1,3-H shift(acy)	1.0000|0|0				0			Constant		Undefined	0	0
138	phase I	1.0000000000	0	0	N{ACY}{V3}(C)=P{ACY}{V3}[Te]{H}{V2}	-	-	N{H}{ACY}{V3}(C)P{ACY}{V3}=[Te]{V2}	Phosphenous imidotellurol - phosphenous telluroamide tautomerism - 1,3-H shift	1.0000|0|0				0			Constant		Undefined	0	0
137	phase I	1.0000000000	0	0	N{H}{ACY}{V3}(C)P{ACY}{V3}=[Te]{V2}	-	-	N{ACY}{V3}(C)=P{ACY}{V3}[Te]{H}{V2}	Phosphenous telluroamide - phosphenous imidotellurol  tautomerism - 1,3-H shift	1.0000|0|0				0			Constant		Undefined	0	0
152	phase I	1.0000000000	0	0	C1=N{~1}{@}N{H}{V3}C{~1}{@}=C{~1}{@}1"~@1Het1;C,N"	-	C12=C(N{H}{V3}C{~1}{@}=C{~1}{@}1)C{~1}{@}=C{~1}{@}C{~1}{@}=C{~1}{@}2"~@1Het1;C,N" C12C(N{H}{V3}C{~1}{@}=C{~1}{@}1)=C{~1}{@}C{~1}{@}=C{~1}{@}C{~1}{@}=2"~@1Het1;C,N" C12C(C=CC=C1)=CN{H}{v3}C=2 C12C(C=C3C(C=CC=C3)=C1)=CN{H}{v3}C=2	C{H}1N{~1}{@}=N{v3}C{~1}{@}=C{~1}{@}1"~@1Het1;C,N"	1,3-Heteroatom H-shift	1.0000|0|0				0			Constant		Undefined	0	0
151	phase I	1.0000000000	0	0	C{H}1N{~1}{@}=N{v3}C{~1}{@}=C{~1}{@}1"~@1Het1;C,N"	-	-	C1=N{~1}{@}N{H}{V3}C{~1}{@}=C{~1}{@}1"~@1Het1;C,N"	1,3-Heteroatom H-shift	1.0000|0|0				0			Constant		Undefined	0	0
89	phase I	1.0000000000	0	0	C{~1}{@}1C{~1}{@}=N{V3}N{H}{V3}C{~1}{@}=1"~@1Het1;C,N"	-	-	C{~1}{@}1=C{~1}{@}N{H}{V3}N{V3}=C{~1}{@}1"~@1Het1;C,N"	1,5-Aroheteroatom H-shift	1.0000|0|0				0			Constant		Undefined	0	0
88	phase I	1.0000000000	0	0	C{~1}{@}1=C{~1}{@}N{H}{V3}N{V3}=C{~1}{@}1"~@1Het1;C,N"	-	-	C{~1}{@}1C{~1}{@}=N{V3}N{H}{V3}C{~1}{@}=1"~@1Het1;C,N"	1,5-Aroheteroatom H-shift	1.0000|0|0				0			Constant		Undefined	0	0
150	phase I	1.0000000000	0	0	O{H}C=CC=O	-	O{H}C=CC(=O)CG O=C{SCY}C{SCY}=C{ACY}O{H}	O=CC=CO{H}	1,5-H shift in O,O-conjugated sysmems	1.0000|0|0				0			Constant		Undefined	0	0
149	phase I	1.0000000000	0	0	O=CC=CO{H}	-	O=CC=C(O{H})CG O{H}C{SCY}=C{SCY}C{acy}=O	O{H}C=CC=O	1,5-H shift in O,O-conjugated sysmems	1.0000|0|0				0			Constant		Undefined	0	0
86	phase I	1.0000000000	0	0	O{H}C{SCY}=C{SCY}C{H}{acy}=O	-	O{H}C{SCY}(CG)=C{SCY}C{ACY}{H}=O	O=C{SCY}C{SCY}=C{ACY}{H}O{H}	1,5-H shift in O,O-conjugated sysmems(EWG-nonIR)	1.0000|0|0				0			Constant		Undefined	0	0
68	phase I	1.0000000000	0	0	O=C{SCY}C{SCY}=C{ACY}{H}O{H}	-	O=C{SCY}(CG)C{SCY}=C{ACY}{H}O{H}	O{H}C{SCY}=C{SCY}C{H}{acy}=O	1,5-H shift in O,O-conjugated sysmems(EWG-nonIR)	1.0000|0|0				0			Constant		Undefined	0	0
160	phase I	1.0000000000	0	0	O{H}C=CC=S{acy}{v2}	-	O{H}C(CG)=CC=S{ACY}{V2} O{H}C{H}{acy}=C{SCY}C{scy}=S{ACY}{V2}	O=CC=CS{H}{V2}	1,5-H shift in O,S-conjugated sysmems	1.0000|0|0				0			Constant		Undefined	0	0
159	phase I	1.0000000000	0	0	O=CC=CS{H}{V2}	-	O=C(CG)C=CS{H}{V2} O=C{ACY}{H}C{SCY}=C{SCY}S{H}{ACY}{V2}	O{H}C=CC=S{acy}{v2}	1,5-H shift in S,O-conjugated sysmems	1.0000|0|0				0			Constant		Undefined	0	0
312	phase I	1.0000000000	0	0	O{H}C{H}{acy}=C{SCY}C{scy}=S{ACY}{V2}	-	-	O=C{ACY}{H}C{SCY}=C{SCY}S{H}{ACY}{V2}	1,5-H shift in O,S-conjugated sysmems(EWG-nonIR)	1.0000|0|0				0			Constant		Undefined	0	0
87	phase I	1.0000000000	0	0	O=C{ACY}{H}C{SCY}=C{SCY}S{H}{ACY}{V2}	-	-	O{H}C{H}{SCY}=C{SCY}C{ACY}=S{ACY}{V2}	1,5-H shift in S,O-conjugated sysmems(EWG-nonIR)	1.0000|0|0				0			Constant		Undefined	0	0
158	phase I	1.0000000000	0	0	O{H}C{ACY}=C{ACY}C{ACY}=[Se]{V2}	-	-	O=C{ACY}C{ACY}=C{ACY}[Se]{H}{v2}	1,5-H shift in O,Se-conjugated sysmems	1.0000|0|0				0			Constant		Undefined	0	0
157	phase I	1.0000000000	0	0	O=C{ACY}C{ACY}=C{ACY}[Se]{H}{v2}	-	-	O{H}C{ACY}=C{ACY}C{ACY}=[Se]{v2}	1,5-H shift in Se,O-conjugated sysmems	1.0000|0|0				0			Constant		Undefined	0	0
156	phase I	1.0000000000	0	0	O{H}C{ACY}=C{ACY}C{ACY}=[Te]{V2}	-	-	O=C{ACY}C{ACY}=C{ACY}[Te]{H}{v2}	1,5-H shift in O,Te-conjugated sysmems	1.0000|0|0				0			Constant		Undefined	0	0
155	phase I	1.0000000000	0	0	O=C{ACY}C{ACY}=C{ACY}[Te]{H}{v2}	-	-	O{H}C{ACY}=C{ACY}C{ACY}=[Te]{v2}	1,5-H shift in Te,O-conjugated sysmems	1.0000|0|0				0			Constant		Undefined	0	0
154	phase I	1.0000000000	0	0	O{H}C=CC=N{ACY}{V3}	-	O{H}C{scy}=C{scy}C{acy}=N{ACY}{V3}	O=CC=CN{H}{ACY}{V3}	Enol-imine - keto-amine tautomerism - 1,5-H shift	1.0000|0|0				0			Constant		Undefined	0	0
153	phase I	1.0000000000	0	0	O=CC=CN{H}{ACY}{V3}	-	O=C{SCY}C{SCY}=C{ACY}N{H}{ACY}{V3}	O{H}C=CC=N{ACY}{V3}	Keto-amine - nol-imine tautomerism - 1,5-H shift	1.0000|0|0				0			Constant		Undefined	0	0
372	phase I	1.0000000000	0	0	O{H}C{scy}=C{scy}C{acy}=N{ACY}{V3}	-	-	O=C{SCY}C{SCY}=C{ACY}N{H}{ACY}{V3}	Enol-imine - keto-amine tautomerism - 1,5-H shift(EWG-nonIR)	1.0000|0|0				0			Constant		Undefined	0	0
330	phase I	1.0000000000	0	0	O=C{SCY}C{SCY}=C{ACY}N{H}{ACY}{V3}	-	-	O{H}C{scy}=C{scy}C{acy}=N{ACY}{V3}	Keto-amine - nol-imine tautomerism - 1,5-H shift(EWG-nonIR)	1.0000|0|0				0			Constant		Undefined	0	0
167	phase I	1.0000000000	0	0	S{H}{v2}C{ACY}=C{ACY}C{ACY}=S{V2}	-	-	S{v2}=C{ACY}C{ACY}=C{ACY}S{H}{v2}	1,5-H shift in S,S-conjugated sysmems	1.0000|0|0				0			Constant		Undefined	0	0
166	phase I	1.0000000000	0	0	S{v2}=C{ACY}C{ACY}=C{ACY}S{H}{v2}	-	-	S{H}{v2}C{ACY}=C{ACY}C{ACY}=S{v2}	1,5-H shift in S,S-conjugated sysmems	1.0000|0|0				0			Constant		Undefined	0	0
165	phase I	1.0000000000	0	0	S{H}{v2}C{ACY}=C{ACY}C{ACY}=[Se]{v2}	-	-	S{v2}=CC{ACY}=C{ACY}[Se]{H}{v2}	1,5-H shift in S,Se-conjugated sysmems	1.0000|0|0				0			Constant		Undefined	0	0
164	phase I	1.0000000000	0	0	S{v2}=C{ACY}C{ACY}=C{ACY}[Se]{H}{v2}	-	-	S{H}{v2}C{ACY}=C{ACY}C{ACY}=[Se]{v2}	1,5-H shift in Se,S-conjugated sysmems	1.0000|0|0				0			Constant		Undefined	0	0
163	phase I	1.0000000000	0	0	S{H}{v2}C{ACY}=C{ACY}C{ACY}=[Te]{v2}	-	-	S{v2}=C{ACY}C{ACY}=C{ACY}[Te]{H}{v2}	1,5-H shift in S,Te-conjugated sysmems	1.0000|0|0				0			Constant		Undefined	0	0
162	phase I	1.0000000000	0	0	S{v2}=C{ACY}C{ACY}=C{ACY}[Te]{H}{v2}	-	-	S{H}{v2}C{ACY}=C{ACY}C{ACY}=[Te]{v2}	1,5-H shift in Te,S-conjugated sysmems	1.0000|0|0				0			Constant		Undefined	0	0
161	phase I	1.0000000000	0	0	S{H}{V2}C=CC=N{ACY}{V3}	-	S{H}{V2}C{scy}=C{scy}C{acy}=N{ACY}{V3}	S{V2}=CC=CN{H}{ACY}{V3}	Thiol-imine - thione-amine tautomerism - 1,5-H shift	1.0000|0|0				0			Constant		Undefined	0	0
41	phase I	1.0000000000	0	0	S{V2}=CC=CN{H}{ACY}{V3}	-	S{V2}=C{SCY}C{SCY}=C{ACY}N{H}{ACY}{V3}	S{H}{V2}C=CC=N{ACY}{V3}	Thione-amine - thiol-imine tautomerism - 1,5-H shift	1.0000|0|0				0			Constant		Undefined	0	0
329	phase I	1.0000000000	0	0	S{H}{V2}C{scy}=C{scy}C{acy}=N{ACY}{V3}	-	-	S{V2}=C{SCY}C{SCY}=C{ACY}N{H}{ACY}{V3}	Thiol-imine - thione-amine tautomerism - 1,5-H shift(EWG-nonIR)	1.0000|0|0				0			Constant		Undefined	0	0
325	phase I	1.0000000000	0	0	S{V2}=C{SCY}C{SCY}=C{ACY}N{H}{ACY}{V3}	-	-	S{H}{V2}C{scy}=C{scy}C{acy}=N{ACY}{V3}	Thione-amine - thiol-imine tautomerism - 1,5-H shift(EWG-nonIR)	1.0000|0|0				0			Constant		Undefined	0	0
175	phase I	1.0000000000	0	0	[Se]{v2}=C{ACY}C{ACY}=C{ACY}[Se]{H}{V2}	-	-	[Se]{v2}=C{ACY}C{ACY}=C{ACY}[Se]{H}{v2}	1,5-H shift in Se,Se-conjugated sysmems	1.0000|0|0				0			Constant		Undefined	0	0
174	phase I	1.0000000000	0	0	[Se]{v2}=C{ACY}C{ACY}=C{ACY}[Se]{H}{v2}	-	-	[Se]{v2}=C{ACY}C{ACY}=C{ACY}[Se]{H}{v2}	1,5-H shift in Se,Se-conjugated sysmems	1.0000|0|0				0			Constant		Undefined	0	0
173	phase I	1.0000000000	0	0	[Se]{H}{v2}C=C{ACY}C{ACY}=[Te]{v2}	-	-	[Se]{v2}=C{ACY}C{ACY}=C{ACY}[Te]{H}{v2}	1,5-H shift in Se,Te-conjugated sysmems	1.0000|0|0				0			Constant		Undefined	0	0
172	phase I	1.0000000000	0	0	[Se]{v2}=C{ACY}C{ACY}=C{ACY}[Te]{H}{v2}	-	-	[Se]{H}{v2}C=C{ACY}C{ACY}=[Te]{v2}	1,5-H shift in Te,Se-conjugated sysmems	1.0000|0|0				0			Constant		Undefined	0	0
171	phase I	1.0000000000	0	0	[Se]{H}{v2}C{ACY}=C{ACY}C{ACY}=N{ACY}{V3}	-	-	[Se]{v2}=C{ACY}C{ACY}=C{ACY}N{ACY}{H}{V3}	1,5-H shift in Se,N-conjugated sysmems	1.0000|0|0				0			Constant		Undefined	0	0
170	phase I	1.0000000000	0	0	[Se]{v2}=C{ACY}C{ACY}=C{ACY}N{ACY}{H}{V3}	-	-	[Se]{H}{v2}C{ACY}=C{ACY}C{ACY}=N{ACY}{V3}	1,5-H shift in N,Se-conjugated sysmems	1.0000|0|0				0			Constant		Undefined	0	0
62	phase I	1.0000000000	0	0	[Se]{H}{V2}C{scy}=C{scy}C{scy}=N{scy}{v3}	-	-	[Se]{V2}=C{SCY}C{SCY}=C{SCY}N{H}{SCY}{V3}	1,5-H shift in Se,N-conjugated sysmems	1.0000|0|0				0			Constant		Undefined	0	0
2	phase I	1.0000000000	0	0	[Se]{V2}=C{SCY}C{SCY}=C{SCY}N{H}{SCY}{V3}	-	-	[Se]{H}{V2}C{scy}=C{scy}C{scy}=N{scy}{v3}	1,5-H shift in N,Se-conjugated sysmems	1.0000|0|0				0			Constant		Undefined	0	0
183	phase I	1.0000000000	0	0	[Te]{H}{v2}C{ACY}=C{ACY}C{ACY}=[Te]{V2}	-	-	[Te]{v2}=C{ACY}C{ACY}=C{ACY}[Te]{H}{v2}	1,5-H shift in Te,Te-conjugated sysmems	1.0000|0|0				0			Constant		Undefined	0	0
182	phase I	1.0000000000	0	0	[Te]{v2}=C{ACY}C{ACY}=C{ACY}[Te]{H}{v2}	-	-	[Te]{H}{v2}C{ACY}=C{ACY}C{ACY}=[Te]{v2}	1,5-H shift in Te,Te-conjugated sysmems	1.0000|0|0				0			Constant		Undefined	0	0
181	phase I	1.0000000000	0	0	[Te]{H}{v2}C{ACY}=C{ACY}C{ACY}=N{ACY}{V3}	-	-	[Te]{v2}=C{ACY}C{ACY}=C{ACY}N{ACY}{H}{V3}	1,5-H shift in Te,N-conjugated sysmems	1.0000|0|0				0			Constant		Undefined	0	0
180	phase I	1.0000000000	0	0	[Te]{v2}=C{ACY}C{ACY}=C{ACY}N{ACY}{H}{V3}	-	-	[Te]{H}{v2}C{ACY}=C{ACY}C{ACY}=N{ACY}{V3}	1,5-H shift in N,Te-conjugated sysmems	1.0000|0|0				0			Constant		Undefined	0	0
191	phase I	1.0000000000	0	0	N{ACY}{H}{V3}C=CC=N{ACY}{V3}	-	N{ACY}{H}{V3}C{scy}=C{scy}C{acy}=N{ACY}{V3}	N{ACY}{V3}=CC=CN{ACY}{H}{V3}	Imino-amine - enamine-imine tautomerism - 1,5-H shift	1.0000|0|0				0			Constant		Undefined	0	0
80	phase I	1.0000000000	0	0	N{ACY}{V3}=CC=CN{ACY}{H}{V3}	-	N{ACY}{V3}=C{SCY}C{SCY}=C{ACY}N{H}{ACY}{V3}	N{ACY}{H}{V3}C=CC=N{ACY}{V3}	Enamine-imine - imino-amine tautomerism - 1,5-H shift	1.0000|0|0				0			Constant		Undefined	0	0
379	phase I	1.0000000000	0	0	N{ACY}{H}{V3}C{scy}=C{scy}C{acy}=N{ACY}{V3}	-	-	N{ACY}{V3}=C{SCY}C{SCY}=C{ACY}N{H}{ACY}{V3}	Imino-amine - enamine-imine tautomerism - 1,5-H shift(EWG-nonIR)	1.0000|0|0				0			Constant		Undefined	0	0
374	phase I	1.0000000000	0	0	N{ACY}{V3}=C{SCY}C{SCY}=C{ACY}N{H}{ACY}{V3}	-	-	N{ACY}{H}{V3}C{scy}=C{scy}C{acy}=N{ACY}{V3}	Enamine-imine - imino-amine tautomerism - 1,5-H shift(EWG-nonIR)	1.0000|0|0				0			Constant		Undefined	0	0
178	phase I	1.0000000000	0	0	C{scy}(N{H}{SP3})=HA17C{SCY}=C{SCY}C{SCY}=N{SCY}{V3}	-	-	C{SCY}(=N)HA17=C{SCY}C{SCY}=C{SCY}N{H}{SCY}{V3}	1,5-H shift in N,N-conjugated sysmems	1.0000|0|0				0			Constant		Undefined	0	0
177	phase I	1.0000000000	0	0	C{SCY}(=N)HA17=C{SCY}C{SCY}=C{SCY}N{H}{SCY}{V3}	-	-	C{scy}(N{H}{SP3})=HA17C{SCY}=C{SCY}C{SCY}=N{SCY}{V3}	1,5-H shift in N,N-conjugated sysmems	1.0000|0|0				0			Constant		Undefined	0	0
313	phase I	1.0000000000	0	0	C(O{H})=CC=CC=O	-	C(O{H})=CC=CC(=O)CG C1C(=O)C=CC(=CO{H})C=1 C1C(O{H})=CC=C(C=O)C=1 C1(O{H})c2c(C(C=O)=C3C=1C=CC=C3)cccc2	C(=O)C=CC=CO{H}	1,7-H shift in O,O-conjugated sysmems	1.0000|0|0				0			Constant		Undefined	0	0
196	phase I	1.0000000000	0	0	C(=O)C=CC=CO{H}	-	C(O{H})(CG)=CC=CC=O C1C(=O)C=CC(=CO{H})C=1 C1C(O{H})=CC=C(C=O)C=1	C(O{H})=CC=CC=O	1,7-H shift in O,O-conjugated sysmems	1.0000|0|0				0			Constant		Undefined	0	0
195	phase I	1.0000000000	0	0	C1C(O{H})=CC=C(C=O)C=1	-	C1C(O{H})=CC{~1}=C(C=O)C{~1}=1"~1EAG;1" C(O{H})=CC=CC(=O)CG	C1C(=O)C=CC(=CO{H})C=1	1,7-H shift in O,O-conjugated sysmems(OH)(non o-EWG-Hbond)	1.0000|0|0				0			Constant		Undefined	0	0
179	phase I	1.0000000000	0	0	C1C(=O)C=CC(=CO{H})C=1	-	C1C(=O)C=C{~1}C(=CO{H})C{~1}=1"~1EAG;1" C(=O)C=CC=C(O{H})CG	C1C(O{H})=CC=C(C=O)C=1	1,7-H shift in O,O-conjugated sysmems(non o-EWG-Hbond)	1.0000|0|0				0			Constant		Undefined	0	0
79	phase I	1.0000000000	0	0	C1C(O{H})=CC{~1}=C(C=O)C{~1}=1"~1EAG;1"	-	C1C(O{H})=CC{~1}=C(C(=O)CG)C{~1}=1"~1EAG;1"	C1C(=O)C=C{~1}C(=CO{H})C{~1}=1"~1EAG;1"	1,7-H shift in O,O-conjugated sysmems(o-EWG-Hbond)	1.0000|0|0				0			Constant		Undefined	0	0
42	phase I	1.0000000000	0	0	C1C(=O)C=C{~1}C(=CO{H})C{~1}=1"~1EAG;1"	-	C1C(=O)C=C{~1}C(=C(O{H})CG)C{~1}=1"~1EAG;1"	C1C(O{H})=CC{~1}=C(C=O)C{~1}=1"~1EAG;1"	1,7-H shift in O,O-conjugated sysmems(o-EWG-Hbond)	1.0000|0|0				0			Constant		Undefined	0	0
317	phase I	1.0000000000	0	0	C(S{H}{v2})=CC=CC=O	-	C1=C(S{H}{v2})C=C{~1}C(C=O)=C{~1}1"~1EAG;1" C(S{H}{V2})=CC=CC(=O)CG	C(=S{V2})C=CC=CO{H}	1,7-H shift in S,O-conjugated sysmems	1.0000|0|0				0			Constant		Undefined	0	0
116	phase I	1.0000000000	0	0	C1=C(S{H}{V2})C=C{~1}C(C=O)=C{~1}1"~1EAG;1"	-	C1=C(S{H}{V2})C=C{~1}C(C(=O)CG)=C{~1}1"~1EAG;1"	C1C(=S{V2})C=C{~1}C(=CO{H})C{~1}=1"~1EAG;1"	1,7-H shift in S,O-conjugated sysmems(o-EWG-Hbond)	1.0000|0|0				0			Constant		Undefined	0	0
316	phase I	1.0000000000	0	0	C(=S{V2})C=CC=CO{H}	-	C1C(=S{V2})C=C{~1}C(=CO{H})C{~1}=1"~1EAG;1" C(=S{V2})C=CC=C(O{H})CG	C(S{H}{v2})=CC=CC=O	1,7-H shift in O,S-conjugated sysmems	1.0000|0|0				0			Constant		Undefined	0	0
117	phase I	1.0000000000	0	0	C1C(=S{V2})C=C{~1}C(=CO{H})C{~1}=1"~1EAG;1"	-	C1C(=S{V2})C=C{~1}C(=C(O{H})CG)C{~1}=1"~1EAG;1"	C1=C(S{H}{v2})C=C{~1}C(C=O)=C{~1}1"~1EAG;1"	1,7-H shift in O,S-conjugated sysmems(o-EWG-Hbond)	1.0000|0|0				0			Constant		Undefined	0	0
315	phase I	1.0000000000	0	0	C(N{H}{acy}{v3})=CC=CC=O	-	C{~1}1=C(C=O)C{~1}=CC(N{H}{V3})=C1"~1EAG;1" C(N{H}{ACY}{V3})=CC=CC(=O)CG	C(=N{ACY}{V3})C=CC=CO{H}	1,7-H shift in N,O-conjugated sysmems	1.0000|0|0				0			Constant		Undefined	0	0
118	phase I	1.0000000000	0	0	C{~1}1=C(C=O)C{~1}=CC(N{H}{acy}{v3})=C1"~1EAG;1"	-	C{~1}1=C(C(=O)CG)C{~1}=CC(N{H}{acy}{v3})=C1"~1EAG;1"	C{~1}1C(=CO{H})C{~1}=CC(=N{acy}{v3})C=1"~1EAG;1"	1,7-H shift in N,O-conjugated sysmems(o-EWG-Hbond)	1.0000|0|0				0			Constant		Undefined	0	0
314	phase I	1.0000000000	0	0	C(=N{ACY}{V3})C=CC=CO{H}	-	C{~1}1C(=CO{H})C{~1}=CC(=N{acy}{v3})C=1"~1EAG;1" C(=N{ACY}{V3})C=CC=C(O{H})CG	C(N{H}{acy}{v3})=CC=CC=O	1,7-H shift in O,N-conjugated sysmems	1.0000|0|0				0			Constant		Undefined	0	0
414	phase I	1.0000000000	0	0	C{~1}1C(=CO{H})C{~1}=CC(=N{acy}{v3})C=1"~1EAG;1"	-	C{~1}1C(=C(O{H})CG)C{~1}=CC(=N{V3})C=1"~1EAG;1"	C{~1}1=C(C=O)C{~1}=CC(N{H}{acy}{v3})=C1"~1EAG;1"	1,7-H shift in O,N-conjugated sysmems(o-EWG-Hbond)	1.0000|0|0				0			Constant		Undefined	0	0
324	phase I	1.0000000000	0	0	C(=N{ACY}{V3})C=CC=CN{ACY}{H}{V3}	-	C1=C(C=N{ACY}{V3})C=CC(N{ACY}{H}{V3})=C1 C1C(=CN{ACY}{H}{V3})C=CC(=N{ACY}{V3})C=1	C(N{ACY}{H}{V3})=CC=CC=N{ACY}{V3}	Enamine-imine - imino-amine tautomerism - 1,7-H shift	1.0000|0|0				0			Constant		Undefined	0	0
204	phase I	1.0000000000	0	0	C1=C(C=N{ACY}{V3})C=CC(N{ACY}{H}{V3})=C1	-	C{~1}1=C(C=N{ACY}{V3})C{~1}=CC(N{ACY}{H}{V3})=C1"~1EAG;1"	C1C(=CN{ACY}{H}{V3})C=CC(=N{ACY}{V3})C=1	Enamine-imine - imino-amine tautomerism - 1,7-H shift(non o-EWG-Hbond)	1.0000|0|0				0			Constant		Undefined	0	0
119	phase I	1.0000000000	0	0	C{~1}1=C(C=N{ACY}{V3})C{~1}=CC(N{ACY}{H}{V3})=C1"~1EAG;1"	-	-	C{~1}1C(=CN{H}{ACY}{V3})C{~1}=CC(=N{ACY}{V3})C=1"~1EAG;1"	Enamine-imine - imino-amine tautomerism - 1,7-H shift(o-EWG-Hbond)	1.0000|0|0				0			Constant		Undefined	0	0
323	phase I	1.0000000000	0	0	C(N{ACY}{H}{V3})=CC=CC=N{ACY}{V3}	-	C1C(=CN{ACY}{H}{V3})C=CC(=N{ACY}{V3})C=1 C1=C(C=N{ACY}{V3})C=CC(N{ACY}{H}{V3})=C1	C(=N{ACY}{V3})C=CC=CN{ACY}{H}{V3}	Imino-amine - enamine-imine tautomerism - 1,7-H shift	1.0000|0|0				0			Constant		Undefined	0	0
234	phase I	1.0000000000	0	0	C1C(=CN{ACY}{H}{V3})C=CC(=N{ACY}{V3})C=1	-	C{~1}1C(=CN{H}{ACY}{V3})C{~1}=CC(=N{ACY}{V3})C=1"~1EAG;1"	C1=C(C=N{ACY}{V3})C=CC(N{ACY}{H}{V3})=C1	Imino-amine - enamine-imine tautomerism - 1,7-H shift(non o-EWG-Hbond)	1.0000|0|0				0			Constant		Undefined	0	0
124	phase I	1.0000000000	0	0	C{~1}1C(=CN{H}{ACY}{V3})C{~1}=CC(=N{ACY}{V3})C=1"~1EAG;1"	-	-	C{~1}1=C(C=N{ACY}{V3})C{~1}=CC(N{ACY}{H}{V3})=C1"~1EAG;1"	Imino-amine - enamine-imine tautomerism - 1,7-H shift(o-EWG-Hbond)	1.0000|0|0				0			Constant		Undefined	0	0
322	phase I	1.0000000000	0	0	C(=S{V2})C=CC=CN{H}{acy}{v3}	-	C1=C{~1}C(=C{ACY}N{ACY}{V3})C{~1}=CC1=S"~1EAG;1"	C(S{H}{V2})=CC=CC=N{ACY}{V3}	Thione-amine - thiol-imine tautomerism - 1,7-H shift	1.0000|0|0				0			Constant		Undefined	0	0
321	phase I	1.0000000000	0	0	C(S{H}{V2})=CC=CC=N{ACY}{V3}	-	C1C{~1}=C(C{ACY}=N{ACY}{V3})C{~1}=CC=1S{H}{V2}"~1EAG;1"	C(=S{V2})C=CC=CN{H}{acy}{v3}	Thiol-imine - thione-amine tautomerism - 1,7-H shift	1.0000|0|0				0			Constant		Undefined	0	0
486	phase I	1.0000000000	0	0	C1=C{~1}C(=C{ACY}N{H}{ACY}{V3})C{~1}=CC1=S"~1EAG;1"	-	-	C1C{~1}=C(C{ACY}=N{ACY}{V3})C{~1}=CC=1S{H}{V2}"~1EAG;1"	Thione-amine - thiol-imine tautomerism - 1,7-H shift(o-EWG-Hbond)	1.0000|0|0				0			Constant		Undefined	0	0
386	phase I	1.0000000000	0	0	C1C{~1}=C(C{ACY}=N{ACY}{V3})C{~1}=CC=1S{H}{V2}"~1EAG;1"	-	-	C1=C{~1}C(=C{ACY}N{H}{ACY}{V3})C{~1}=CC1=S"~1EAG;1"	Thiol-imine - thione-amine tautomerism - 1,7-H shift(o-EWG-Hbond)	1.0000|0|0				0			Constant		Undefined	0	0
320	phase I	1.0000000000	0	0	C{acy}(S{H}{V2})=C{acy}C{acy}=C{acy}C{acy}=S{V2}	-	-	C{ACY}(=S{V2})C=C{ACY}C=C{ACY}S{H}{V2}	1,7-H shift in S,S-conjugated sysmems(acy)(SH)	1.0000|0|0				0			Constant		Undefined	0	0
319	phase I	1.0000000000	0	0	C{ACY}(=S{V2})C=C{ACY}C=C{ACY}S{H}{V2}	-	-	C{acy}(S{H}{V2})=C{acy}C{acy}=C{acy}C{acy}=S{V2}	1,7-H shift in S,S-conjugated sysmems(acy)	1.0000|0|0				0			Constant		Undefined	0	0
190	phase I	1.0000000000	0	0	P{ACY}{V3}(O{H})[V1]E3	-	P{ACY}{V3}(O{H})(O{H})O{H} P{H}{ACY}{V3}(O{H})O{H} P{H2}{ACY}{V3}O{H}	P{acy}{H}{v5}(=O)[V1]E3	Phosphite - phosphonate diad tautomerism - 1,2-H shift	1.0000|0|0				0			Constant		Undefined	0	0
111	phase I	1.0000000000	0	0	P{acy}{H}{v5}(=O)[V1]E3	-	P{ACY}{H}{V5}(=O)(O{H})O{H} P{H}{ACY}{H}{V5}(=O)O{H}	P{ACY}{V3}(O{H})[V1]E3	Phosphonate - phosphite diad tautomerism - 1,2-H shift	1.0000|0|0				0			Constant		Undefined	0	0
214	phase I	1.0000000000	0	0	P{ACY}{V3}(S{H}{v2})[V1]E3	-	P{ACY}{V3}(S{H}{V2})(O{H})O{H}	P{ACY}{V5}{H}(=S{V2})[V1]E3	Thiophosphite - thiophosphonate tautomerism - 1,2-H shift	1.0000|0|0				0			Constant		Undefined	0	0
268	phase I	1.0000000000	0	0	P{ACY}{V5}{H}(=S{V2})[V1]E3	-	P{ACY}{H}{V5}(=S{V2})(O{H})O{H} P{H}{ACY}{H}{V5}(=S{V2})O{H}	P{ACY}{V3}(S{H}{v2})[V1]E3	Thiophosphonate - thiophosphite tautomerism - 1,2-H shift	1.0000|0|0				0			Constant		Undefined	0	0
247	phase I	1.0000000000	0	0	P{ACY}{V3}(N{ACY}{H}{V3})[V1]E3	-	P{ACY}{V3}(N{ACY}{H}{V3})([V1]DT)[V1]DT	P{ACY}{H}{V5}(=N{ACY}{V3})[V1]E3	Amidophosphite - imidophosphonate tautomerism - 1,2-H shift	1.0000|0|0				0			Constant		Undefined	0	0
245	phase I	1.0000000000	0	0	P{ACY}{H}{V5}(=N{ACY}{V3})[V1]E3	-	P{ACY}{H}{V5}(=N{ACY}{V3})([V1]DT)[V1]DT	P{ACY}{V3}(N{ACY}{H}{V3})[V1]E3	Imidophosphonate - imidophosphite tautomerism - 1,2-H shift	1.0000|0|0				0			Constant		Undefined	0	0
444	phase I	1.0000000000	0	0	P{ACY}{V3}(C{H}{acy}{sp3})[V1]E3	-	-	P{H}{ACY}{V5}(=C{acy}{sp2})[V1]E3	Phosphite - phosphonomethylene tautomerism - 1,2-H shift	1.0000|0|0				0			Constant		Undefined	0	0
176	phase I	1.0000000000	0	0	P{H}{ACY}{V5}(=C{acy}{sp2})[V1]E3	-	-	P{ACY}{V3}(C{H}{acy}{sp3})[V1]E3	Phosphonomethylene - phosphite tautomerism - 1,2-H shift	1.0000|0|0				0			Constant		Undefined	0	0
255	phase I	1.0000000000	0	0	CN{ACY}{H}{V3}C{ACY}(=S{ACY}{V6}(=O)=O)[V1]TD1	-	-	CN{ACY}{V3}=C{ACY}(S{ACY}{V4}(O{H})=O)[V1]TD1	Dioxide	1.0000|0|0				0			Constant		Undefined	0	0
254	phase I	1.0000000000	0	0	CN{ACY}{V3}=C{ACY}(S{ACY}{V4}(O{H})=O)[V1]TD1	-	-	CN{ACY}{H}{V3}C{ACY}(=S{ACY}{V6}(=O)=O)[V1]TD1	Dioxide	1.0000|0|0				0			Constant		Undefined	0	0
99	phase I	1.0000000000	0	0	CN{H}{acy}{v3}C{acy}(=[Se]{acy}{v6}(=O{acy})=O{acy})[V1]TD1	-	-	CN{ACY}{V3}=C{ACY}([Se]{ACY}{V4}(O{H})=O)[V1]TD1	Dioxide	1.0000|0|0				0			Constant		Undefined	0	0
98	phase I	1.0000000000	0	0	CN{ACY}{V3}=C{ACY}([Se]{ACY}{V4}(O{H})=O)[V1]TD1	-	-	CN{ACY}{H}{V3}C{ACY}(=[Se]{ACY}{V6}(=O)=O)[V1]TD1	Dioxide	1.0000|0|0				0			Constant		Undefined	0	0
101	phase I	1.0000000000	0	0	CN{ACY}{H}{V3}C{ACY}(=[Te]{ACY}{V6}(=O)=O)[V1]TD1	-	-	CN{ACY}{V3}=C{ACY}([Te]{ACY}{V4}(O{H})=O)[V1]TD1	Dioxide	1.0000|0|0				0			Constant		Undefined	0	0
100	phase I	1.0000000000	0	0	CN{ACY}{V3}=C{ACY}([Te]{ACY}{V4}(O{H})=O)[V1]TD1	-	-	CN{ACY}{H}{V3}C{ACY}(=[Te]{ACY}{V6}(=O)=O)[V1]TD1	Dioxide	1.0000|0|0				0			Constant		Undefined	0	0
364	phase I	1.0000000000	0	0	C{ACY}(O{ACY}{H})(N{V3}C)=S{ACY}{V6}(=O)=O	-	-	C{ACY}(=O)(N{V3}C)S{ACY}{V4}(=O)O{H}	Dioxide	1.0000|0|0				0			Constant		Undefined	0	0
363	phase I	1.0000000000	0	0	C{ACY}(=O)(N{V3}C)S{ACY}{V4}(=O)O{H}	-	-	C{ACY}(O{H})(N{V3}C)=S{ACY}{V6}(=O)=O	Dioxide	1.0000|0|0				0			Constant		Undefined	0	0
362	phase I	1.0000000000	0	0	C{ACY}(O{H})(N{H}{V3}C)=[Se]{ACY}{V6}(=O)=O	-	-	C{ACY}(=O)(N{H}{V3}C)[Se]{ACY}{V4}(=O)O{H}	Dioxide	1.0000|0|0				0			Constant		Undefined	0	0
360	phase I	1.0000000000	0	0	C{ACY}(=O)(N{H}{V3}C)[Se]{ACY}{V4}(=O)O{H}	-	-	C{ACY}(O{H})(N{H}{V3}C)=[Se]{ACY}{V6}(=O)=O	Dioxide	1.0000|0|0				0			Constant		Undefined	0	0
361	phase I	1.0000000000	0	0	C{ACY}(O{H})(N{H}{V3}C)=[Te]{ACY}{V6}(=O)=O	-	-	C{ACY}(=O)(N{H}{V3}C)[Te]{ACY}{V4}(=O)O{H}	Dioxide	1.0000|0|0				0			Constant		Undefined	0	0
359	phase I	1.0000000000	0	0	C{ACY}(=O)(N{ACY}{H}{V3}C)[Te]{ACY}{V4}(=O)O{H}	-	-	C{ACY}(O{H})(N{H}{V3}C)=[Te]{ACY}{V6}(=O)=O	Dioxide	1.0000|0|0				0			Constant		Undefined	0	0
97	phase I	1.0000000000	0	0	C1(=O)C2=C(N{V3}C{~1}{@}=C{~1}{@}1)N{H}{V3}C{~1}{@}=N{~1}{@}2"~@1Het1;C,N"	-	-	C1(O{H})=C2C(N{V3}C{~1}{@}=C{~1}{@}1)=N{V3}C{~1}{@}=N{~1}{@}2"~@1Het1;C,N"	1,5-H shift (Bicyclic Aroheterocyclic)	1.0000|0|0				0			Constant		Undefined	0	0
96	phase I	1.0000000000	0	0	C1(O{H})=C2C(N{V3}C{~1}{@}=C{~1}{@}1)=N{V3}C{~1}{@}=N{~1}{@}2"~@1Het1;C,N"	-	-	C1(=O)C2=C(N{V3}C{~1}{@}=C{~1}{@}1)N{H}{V3}C{~1}{@}=N{~1}{@}2"~@1Het1;C,N"	1,5-H shift (Bicyclic Aroheterocyclic)	1.0000|0|0				0			Constant		Undefined	0	0
303	phase I	1.0000000000	0	0	C(E4)(=O)C{H}{SP3}(C(=S{V2})E4)[V1]E5	-	-	C(E4)(=O)C(=C(S{H}{V2})E4)[V1]E5	1,3-H shift-1,3 dicarbonyl	1.0000|0|0				0			Constant		Undefined	0	0
302	phase I	1.0000000000	0	0	C(E4)(=O)C(=C(S{H}{V2})E4)[V1]E5	-	-	C(E4)(=O)C{H}{SP3}(C(=S{V2})E4)[V1]E5	1,3-H shift-1,3 dicarbonyl	1.0000|0|0				0			Constant		Undefined	0	0
301	phase I	1.0000000000	0	0	C(E4)(=O)C{H}{SP3}(C(=[Se]{V2})E4)[V1]E5	-	-	C(E4)(=O)C(=C([Se]{H}{V2})E4)[V1]E5	1,3-H shift-1,3 dicarbonyl	1.0000|0|0				0			Constant		Undefined	0	0
300	phase I	1.0000000000	0	0	C(E4)(=O)C(=C([Se]{H}{V2})E4)[V1]E5	-	-	C(E4)(=O)C{H}{SP3}(C(=[Se]{V2})E4)[V1]E5	1,3-H shift-1,3 dicarbonyl	1.0000|0|0				0			Constant		Undefined	0	0
306	phase I	1.0000000000	0	0	C(E4)(=O)C{H}{SP3}(C(=[Te]{V2})E4)[V1]E5	-	-	C(E4)(=O)C(=C([Te]{H}{V2})E4)[V1]E5	1,3-H shift-1,3 dicarbonyl	1.0000|0|0				0			Constant		Undefined	0	0
305	phase I	1.0000000000	0	0	C(E4)(=O)C(=C([Te]{H}{V2})E4)[V1]E5	-	-	C(E4)(=O)C{H}{SP3}(C(=[Te]{V2})E4)[V1]E5	1,3-H shift-1,3 dicarbonyl	1.0000|0|0				0			Constant		Undefined	0	0
310	phase I	1.0000000000	0	0	C(E4)(=S)C{H}{SP3}(C(=[Te]{V2})E4)[V1]E5	-	-	C(E4)(=S)C(=C([Te]{H}{V2})E4)[V1]E5	1,3-H shift-1,3 dicarbonyl	1.0000|0|0				0			Constant		Undefined	0	0
309	phase I	1.0000000000	0	0	C(E4)(=S)C(=C([Te]{H}{V2})E4)[V1]E5	-	-	C(E4)(=S)C{H}{SP3}(C(=[Te]{V2})E4)[V1]E5	1,3-H shift-1,3 dicarbonyl	1.0000|0|0				0			Constant		Undefined	0	0
308	phase I	1.0000000000	0	0	C(E4)(=S)C{H}{SP3}(C(=[Se]{V2})E4)[V1]E5	-	-	C(E4)(=S)C(=C([Se]{H}{V2})E4)[V1]E5	1,3-H shift-1,3 dicarbonyl	1.0000|0|0				0			Constant		Undefined	0	0
307	phase I	1.0000000000	0	0	C(E4)(=S)C(=C([Se]{H}{V2})E4)[V1]E5	-	-	C(E4)(=S)C{H}{SP3}(C(=[Se]{V2})E4)[V1]E5	1,3-H shift-1,3 dicarbonyl	1.0000|0|0				0			Constant		Undefined	0	0
28	phase I	1.0000000000	0	0	C(E4)(=[Se]{V2})C(=C([Te]{H}{V2})E4)[V1]E5	-	-	C(E4)(=[Se]{V2})C{H}{SP3}(C(=[Te]{V2})E4)[V1]E5	1,3-H shift-1,3 dicarbonyl	1.0000|0|0				0			Constant		Undefined	0	0
304	phase I	1.0000000000	0	0	C(E4)(=[Se]{V2})C{H}{SP3}(C(=[Te]{V2})E4)[V1]E5	-	-	C(E4)(=[Se]{V2})C(=C([Te]{H}{V2})E4)[V1]E5	1,3-H shift-1,3 dicarbonyl	1.0000|0|0				0			Constant		Undefined	0	0
391	phase I	1.0000000000	0	0	CN{ACY}{V3}=N{ACY}{V3}C=CO{H}	-	CN{ACY}{V3}=N{ACY}{V3}C{scy}=C{scy}O{H}	CN{H}{ACY}{V3}N{ACY}{V3}=CC=O	Hydroxyazo - ketohydrazone tautomerism - 1,5-H shift	1.0000|0|0				0			Constant		Undefined	0	0
390	phase I	1.0000000000	0	0	CN{H}{ACY}{V3}N{ACY}{V3}=CC=O	-	CN{H}{ACY}{V3}N{ACY}{V3}=C{SCY}C{SCY}=O	CN{ACY}{V3}=N{ACY}{V3}C=CO{H}	Ketohydrazone - hydroxyazo tautomerism - 1,5-H shift	1.0000|0|0				0			Constant		Undefined	0	0
373	phase I	1.0000000000	0	0	CN{ACY}{V3}=N{ACY}{V3}C{scy}=C{scy}O{H}	-	-	CN{H}{ACY}{V3}N{ACY}{V3}=C{SCY}C{SCY}=O	Hydroxyazo - ketohydrazone tautomerism - 1,5-H shift(EWG-nonIR)	1.0000|0|0				0			Constant		Undefined	0	0
370	phase I	1.0000000000	0	0	CN{H}{ACY}{V3}N{ACY}{V3}=C{SCY}C{SCY}=O	-	-	CN{ACY}{V3}=N{ACY}{V3}C{scy}=C{scy}O{H}	Ketohydrazone - hydroxyazo tautomerism - 1,5-H shift(EWG-nonIR)	1.0000|0|0				0			Constant		Undefined	0	0
426	phase I	1.0000000000	0	0	CN{ACY}{V3}=N{ACY}{V3}C=CS{H}{v2}	-	CN{ACY}{V3}=N{ACY}{V3}C{scy}=C{scy}S{H}{V2}	CN{H}{ACY}{V3}N{ACY}{V3}=CC=S{V2}	Mercaptoazo - thiohydrazone tautomerism - 1,5-H shift	1.0000|0|0				0			Constant		Undefined	0	0
425	phase I	1.0000000000	0	0	CN{H}{ACY}{V3}N{ACY}{V3}=CC=S{V2}	-	CN{H}{ACY}{V3}N{ACY}{V3}=C{SCY}C{SCY}=S{V2}	CN{ACY}{V3}=N{ACY}{V3}C=CS{H}{v2}	Thiohydrazone - mercaptoazo tautomerism - 1,5-H shift	1.0000|0|0				0			Constant		Undefined	0	0
441	phase I	1.0000000000	0	0	CN{ACY}{V3}=N{ACY}{V3}C{scy}=C{scy}S{H}{V2}	-	-	CN{H}{ACY}{V3}N{ACY}{V3}=C{SCY}C{SCY}=S{V2}	Mercaptoazo - thiohydrazone tautomerism - 1,5-H shift(EWG-nonIR)	1.0000|0|0				0			Constant		Undefined	0	0
440	phase I	1.0000000000	0	0	CN{H}{ACY}{V3}N{ACY}{V3}=C{SCY}C{SCY}=S{V2}	-	-	CN{ACY}{V3}=N{ACY}{V3}C{scy}=C{scy}S{H}{V2}	Thiohydrazone - mercaptoazo tautomerism - 1,5-H shift(EWG-nonIR)	1.0000|0|0				0			Constant		Undefined	0	0
428	phase I	1.0000000000	0	0	CN{ACY}{V3}=N{ACY}{V3}C=CN{H}{acy}{v3}	-	CN{ACY}{V3}=N{ACY}{V3}C{scy}=C{scy}N{ACY}{H}{V3}	CN{ACY}{H}{V3}N{ACY}{V3}=CC=N{acy}{v3}	Aminoazo - iminohydrazone tautomerism - 1,5-H shift	1.0000|0|0				0			Constant		Undefined	0	0
427	phase I	1.0000000000	0	0	CN{ACY}{H}{V3}N{ACY}{V3}=CC=N{acy}{v3}	-	CN{H}{ACY}{V3}N{ACY}{V3}=C{SCY}C{SCY}=N{ACY}{V3}	CN{ACY}{V3}=N{ACY}{V3}C=CN{H}{acy}{v3}	Iminohydrazone - aminoazo tautomerism - 1,5-H shift	1.0000|0|0				0			Constant		Undefined	0	0
443	phase I	1.0000000000	0	0	CN{ACY}{V3}=N{ACY}{V3}C{scy}=C{scy}N{ACY}{H}{V3}	-	-	CN{H}{ACY}{V3}N{ACY}{V3}=C{SCY}C{SCY}=N{ACY}{V3}	Aminoazo - iminohydrazone tautomerism - 1,5-H shift(EWG-nonIR)	1.0000|0|0				0			Constant		Undefined	0	0
442	phase I	1.0000000000	0	0	CN{H}{ACY}{V3}N{ACY}{V3}=C{SCY}C{SCY}=N{ACY}{V3}	-	-	CN{ACY}{V3}=N{ACY}{V3}C{scy}=C{scy}N{ACY}{H}{V3}	Iminohydrazone - aminoazo tautomerism - 1,5-H shift(EWG-nonIR)	1.0000|0|0				0			Constant		Undefined	0	0
389	phase I	1.0000000000	0	0	C(=CC=CO{H})N{ACY}{V3}=N{ACY}{V3}C	-	N{ACY}{V3}(C)=N{ACY}{V3}C1=C{~2}C=C(O{H})C=C{~2}1"~2EAG;1"	C(C=CC=O)=N{ACY}{V3}N{H}{ACY}{V3}C	Hydroxyazo - ketohydrazone tautomerism - 1,7-H shift	1.0000|0|0				0			Constant		Undefined	0	0
388	phase I	1.0000000000	0	0	C(C=CC=O)=N{ACY}{V3}N{H}{ACY}{V3}C	-	N{ACY}{H}{V3}(C)N{ACY}{V3}=C1C{~2}=CC(=O)C=C{~2}1"~2EAG;1"	C(=CC=CO{H})N{ACY}{V3}=N{ACY}{V3}C	Ketohydrazone - hydroxyazo tautomerism - 1,7-H shift	1.0000|0|0				0			Constant		Undefined	0	0
432	phase I	1.0000000000	0	0	C(=CC=CS{H}{V2})N{ACY}{V3}=N{ACY}{V3}C	-	N{ACY}{V3}(C)=N{ACY}{V3}C1=C{~2}C=C(S{H}{V2})C=C{~2}1"~2EAG;1"	C(C=CC=S{V2})=N{ACY}{V3}N{H}{ACY}{V3}C	Mercaptoazo - thiohydrazone tautomerism - 1,7-H shift	1.0000|0|0				0			Constant		Undefined	0	0
431	phase I	1.0000000000	0	0	C(C=CC=S{V2})=N{ACY}{V3}N{H}{ACY}{V3}C	-	N{ACY}{H}{V3}(C)N{ACY}{V3}=C1C{~2}=CC(=S{V2})C=C{~2}1"~2EAG;1"	C(=CC=CS{H}{V2})N{ACY}{V3}=N{ACY}{V3}C	Thiohydrazone - mercaptoazo tautomerism - 1,7-H shift	1.0000|0|0				0			Constant		Undefined	0	0
430	phase I	1.0000000000	0	0	C(=CC=CN{ACY}{H}{V3})N{ACY}{V3}=N{ACY}{V3}C	-	N{ACY}{V3}(C)=N{ACY}{V3}C1=C{~2}C=C(N{ACY}{H}{V3})C=C{~2}1"~2EAG;1"	C(C=CC=N{ACY}{V3})=N{ACY}{V3}N{H}{ACY}{V3}C	Aminoazo - iminohydrazone tautomerism - 1,7-H shift	1.0000|0|0				0			Constant		Undefined	0	0
429	phase I	1.0000000000	0	0	C(C=CC=N{ACY}{V3})=N{ACY}{V3}N{H}{ACY}{V3}C	-	N{ACY}{H}{V3}(C)N{ACY}{V3}=C1C{~2}=CC(=N{ACY}{V3})C=C{~2}1"~2EAG;1"	C(=CC=CN{ACY}{H}{V3})N{ACY}{V3}=N{ACY}{V3}C	Iminohydrazone - aminoazo tautomerism - 1,7-H shift	1.0000|0|0				0			Constant		Undefined	0	0
95	phase I	1.0000000000	0	0	N{ACY}{V3}(C)=N{ACY}{V3}C1=C{~2}C=C(O{H})C=C{~2}1"~2EAG;1"	-	-	N{ACY}{H}{V3}(C)N{ACY}{V3}=C1C{~2}=CC(=O)C=C{~2}1"~2EAG;1"	Hydroxyazo - ketohydrazone tautomerism - 1,7-H shift(o-EWG-Hbond)	1.0000|0|0				0			Constant		Undefined	0	0
94	phase I	1.0000000000	0	0	N{ACY}{H}{V3}(C)N{ACY}{V3}=C1C{~2}=CC(=O)C=C{~2}1"~2EAG;1"	-	-	N{ACY}{V3}(C)=N{ACY}{V3}C1=C{~2}C=C(O{H})C=C{~2}1"~2EAG;1"	Ketohydrazone - hydroxyazo tautomerism - 1,7-H shift(o-EWG-Hbond)	1.0000|0|0				0			Constant		Undefined	0	0
114	phase I	1.0000000000	0	0	N{ACY}{V3}(C)=N{ACY}{V3}C1=C{~2}C=C(S{H}{V2})C=C{~2}1"~2EAG;1"	-	-	N{ACY}{H}{V3}(C)N{ACY}{V3}=C1C{~2}=CC(=S{V2})C=C{~2}1"~2EAG;1"	Mercaptoazo - thiohydrazone tautomerism - 1,7-H shift(o-EWG-Hbond)	1.0000|0|0				0			Constant		Undefined	0	0
113	phase I	1.0000000000	0	0	N{ACY}{H}{V3}(C)N{ACY}{V3}=C1C{~2}=CC(=S{V2})C=C{~2}1"~2EAG;1"	-	-	N{ACY}{V3}(C)=N{ACY}{V3}C1=C{~2}C=C(S{H}{V2})C=C{~2}1"~2EAG;1"	Thiohydrazone - mercaptoazo tautomerism - 1,7-H shift(o-EWG-Hbond)	1.0000|0|0				0			Constant		Undefined	0	0
135	phase I	1.0000000000	0	0	N{ACY}{V3}(C)=N{ACY}{V3}C1=C{~2}C=C(N{ACY}{H}{V3})C=C{~2}1"~2EAG;1"	-	-	N{ACY}{H}{V3}(C)N{ACY}{V3}=C1C{~2}=CC(=N{ACY}{V3})C=C{~2}1"~2EAG;1"	Aminoazo - iminohydrazone tautomerism - 1,7-H shift(o-EWG-Hbond)	1.0000|0|0				0			Constant		Undefined	0	0
115	phase I	1.0000000000	0	0	N{ACY}{H}{V3}(C)N{ACY}{V3}=C1C{~2}=CC(=N{ACY}{V3})C=C{~2}1"~2EAG;1"	-	-	N{ACY}{V3}(C)=N{ACY}{V3}C1=C{~2}C=C(N{ACY}{H}{V3})C=C{~2}1"~2EAG;1"	Iminohydrazone - aminoazo tautomerism - 1,7-H shift(o-EWG-Hbond)	1.0000|0|0				0			Constant		Undefined	0	0
9	phase I	1.0000000000	0	0	C{ACY}(=O)S{H}{v2}	-	-	C{ACY}(O{H})=S{V2}	Thiol - thione tautomerism - 1,3-H shift	1.0000|0|0				0			Constant		Undefined	0	0
13	phase I	1.0000000000	0	0	C{ACY}(O{H})=S{v2}	-	-	C{ACY}(=O)S{H}{V2}	Thione - thiol tautomerism - 1,3-H shift	1.0000|0|0				0			Constant		Undefined	0	0
417	phase I	1.0000000000	0	0	C{ACY}(=O)[Se]{H}{v2}	-	-	C{ACY}(O{H})=[Se]{v2}	Selenol - selone tautomerism - 1,3-H shift	1.0000|0|0				0			Constant		Undefined	0	0
416	phase I	1.0000000000	0	0	C{ACY}(O{H})=[Se]{v2}	-	-	C{ACY}(=O)[Se]{H}{v2}	Selone - selenol tautomerism - 1,3-H shift	1.0000|0|0				0			Constant		Undefined	0	0
82	phase I	1.0000000000	0	0	C{ACY}(=O)[Te]{H}{V2}	-	-	C{ACY}(O{H})=[Te]{v2}	Tellurol - tellone tautomerism - 1,3-H shift	1.0000|0|0				0			Constant		Undefined	0	0
419	phase I	1.0000000000	0	0	C{ACY}(O{H})=[Te]{v2}	-	-	C(=O)[Te]{H}{V2}	Tellone - tellurol tautomerism - 1,3-H shift	1.0000|0|0				0			Constant		Undefined	0	0
418	phase I	1.0000000000	0	0	C{ACY}(=S{v2})[Se]{ACY}{H}{V2}	-	-	C{ACY}(S{H}{v2})=[Se]{v2}	Thionoselenol - mercaptoselone tautomerism - 1,3-H shift	1.0000|0|0				0			Constant		Undefined	0	0
422	phase I	1.0000000000	0	0	C{ACY}(S{H}{v2})=[Se]{v2}	-	-	C{ACY}(=S{v2})[Se]{H}{v2}	Mercaptoselone - thionoselenol tautomerism - 1,3-H shift	1.0000|0|0				0			Constant		Undefined	0	0
421	phase I	1.0000000000	0	0	C{ACY}(=S{v2})[Te]{H}{v2}	-	-	C{ACY}(S{H}{v2})=[Te]{v2}	Thionotellurol - mercaptotellone tautomerism - 1,3-H shift	1.0000|0|0				0			Constant		Undefined	0	0
420	phase I	1.0000000000	0	0	C{ACY}(S{H}{v2})=[Te]{v2}	-	-	C{ACY}(=S{v2})[Te]{H}{v2}	Mercaptotellone - thionotellurol tautomerism - 1,3-H shift	1.0000|0|0				0			Constant		Undefined	0	0
423	phase I	1.0000000000	0	0	C{ACY}(=[Se]{v2})[Te]{H}{v2}	-	-	C{ACY}([Se]{H}{v2})=[Te]{v2}	Selenotellone - telluroselone tautomerism - 1,3-H shift	1.0000|0|0				0			Constant		Undefined	0	0
14	phase I	1.0000000000	0	0	C{ACY}([Se]{H}{v2})=[Te]{v2}	-	-	C{ACY}(=[Se]{v2})[Te]{H}{v2}	Telluroselone - selenotellone tautomerism - 1,3-H shift	1.0000|0|0				0			Constant		Undefined	0	0
61	phase I	1.0000000000	0	0	C{~1}{@}1C{~1}{@}=C(O{H})N{V3}=C{~1}{@}C{~1}{@}=1"~@1Het1;C,N"	-	-	C{~1}{@}1=C{~1}{@}C(=O)N{H}{V3}C{~1}{@}=C{~1}{@}1"~@1Het1;C,N"	1,7-H shift in N-heteroarenols	1.0000|0|0				0			Constant		Undefined	0	0
60	phase I	1.0000000000	0	0	C{~1}{@}1=C{~1}{@}C(=O)N{H}{V3}C{~1}{@}=C{~1}{@}1"~@1Het1;C,N"	-	-	C{~1}{@}1C{~1}{@}=C(O{H})N{V3}=C{~1}{@}C{~1}{@}=1"~@1Het1;C,N"	1,7-H shift in N-heteroarenols	1.0000|0|0				0			Constant		Undefined	0	0
59	phase I	1.0000000000	0	0	C{~1}{@}1C{~1}{@}=C(N{ACY}{H}{V3})N{V3}=C{~1}{@}C{~1}{@}=1"~@1Het1;C,N"	-	-	C{~1}{@}1=C{~1}{@}C(=N{ACY}{V3})N{H}{V3}C{~1}{@}=C{~1}{@}1"~@1Het1;C,N"	1,7-H shift in N-heterocyclic amines	1.0000|0|0				0			Constant		Undefined	0	0
58	phase I	1.0000000000	0	0	C{~1}{@}1=C{~1}{@}C(=N{ACY}{V3})N{H}{V3}C{~1}{@}=C{~1}{@}1"~@1Het1;C,N"	-	-	C{~1}{@}1C{~1}{@}=C(N{ACY}{H}{V3})N{V3}=C{~1}{@}C{~1}{@}=1"~@1Het1;C,N"	1,7-H shift in N-heterocyclic amines	1.0000|0|0				0			Constant		Undefined	0	0
64	phase I	1.0000000000	0	0	C{~1}{@}1C{~1}{@}=C(S{H}{V2})N{V3}=C{~1}{@}C{~1}{@}=1"~@1Het1;C,N"	-	-	C{~1}{@}1=C{~1}{@}C(=S{V2})N{H}{V3}C{~1}{@}=C{~1}{@}1"~@1Het1;C,N"	1,7-H shift in N-heterothiols	1.0000|0|0				0			Constant		Undefined	0	0
63	phase I	1.0000000000	0	0	C{~1}{@}1=C{~1}{@}C(=S{V2})N{H}{V3}C{~1}{@}=C{~1}{@}1"~@1Het1;C,N"	-	-	C{~1}{@}1C{~1}{@}=C(S{H}{V2})N{V3}=C{~1}{@}C{~1}{@}=1"~@1Het1;C,N"	1,7-H shift in N-heterothiols	1.0000|0|0				0			Constant		Undefined	0	0
91	phase I	1.0000000000	0	0	C1(=S{v2})C2=C(N{V3}C{~1}{@}=C{~1}{@}1)N{H}C{~1}{@}=C{~1}{@}2"~@1Het1;C,N"	-	-	C1(S{H}{v2})=C2C(N{V3}C{~1}{@}=C{~1}{@}1)=NC{~1}{@}=C{~1}{@}2"~@1Het1;C,N"	1,5-H shift (Bicyclic Aroheterocyclic)	1.0000|0|0				0			Constant		Undefined	0	0
85	phase I	1.0000000000	0	0	C1(S{H}{v2})=C2C(N{V3}C{~1}{@}=C{~1}{@}1)=NC{~1}{@}=C{~1}{@}2"~@1Het1;C,N"	-	-	C1(=S{v2})C2=C(N{V3}C{~1}{@}=C{~1}{@}1)N{H}C{~1}{@}=C{~1}{@}2"~@1Het1;C,N"	1,5-H shift (Bicyclic Aroheterocyclic)	1.0000|0|0				0			Constant		Undefined	0	0
84	phase I	1.0000000000	0	0	C1(=[Se]{v2})C2=C(N{V3}C{~1}{@}=C{~1}{@}1)N{H}C{~1}{@}=C{~1}{@}2"~@1Het1;C,N"	-	-	C1([Se]{H}{v2})=C2C(N{V3}C{~1}{@}=C{~1}{@}1)=NC{~1}{@}=C{~1}{@}2"~@1Het1;C,N"	1,5-H shift (Bicyclic Aroheterocyclic)	1.0000|0|0				0			Constant		Undefined	0	0
83	phase I	1.0000000000	0	0	C1([Se]{H}{v2})=C2C(N{V3}C{~1}{@}=C{~1}{@}1)=NC{~1}{@}=C{~1}{@}2"~@1Het1;C,N"	-	-	C1(=[Se]{v2})C2=C(N{V3}C{~1}{@}=C{~1}{@}1)N{H}C{~1}{@}=C{~1}{@}2"~@1Het1;C,N"	1,5-H shift (Bicyclic Aroheterocyclic)	1.0000|0|0				0			Constant		Undefined	0	0
81	phase I	1.0000000000	0	0	C1(=N{v3})C2=C(N{V3}C{~1}{@}=C{~1}{@}1)N{H}C{~1}{@}=C{~1}{@}2"~@1Het1;C,N"	-	-	C1(N{H}{v3})=C2C(N{V3}C{~1}{@}=C{~1}{@}1)=NC{~1}{@}=C{~1}{@}2"~@1Het1;C,N"	1,5-H shift (Bicyclic Aroheterocyclic)	1.0000|0|0				0			Constant		Undefined	0	0
69	phase I	1.0000000000	0	0	C1(N{H}{v3})=C2C(N{V3}C{~1}{@}=C{~1}{@}1)=NC{~1}{@}=C{~1}{@}2"~@1Het1;C,N"	-	-	C1(=N{v3})C2=C(N{V3}C{~1}{@}=C{~1}{@}1)N{H}C{~1}{@}=C{~1}{@}2"~@1Het1;C,N"	1,5-H shift (Bicyclic Aroheterocyclic)	1.0000|0|0				0			Constant		Undefined	0	0
18	phase I	1.0000000000	0	0	C1([Te]{H}{v2})=C2C(N{V3}C{~1}{@}=C{~1}{@}1)=NC{~1}{@}=C{~1}{@}2"~@1Het1;C,N"	-	-	C1(=[Te]{v2})C2=C(N{V3}C{~1}{@}=C{~1}{@}1)N{H}C{~1}{@}=C{~1}{@}2"~@1Het1;C,N"	1,5-H shift (Bicyclic Aroheterocyclic)	1.0000|0|0				0			Constant		Undefined	0	0
184	phase I	1.0000000000	0	0	P{acy}{v5}(=O)C{H}{acy}{sp3}	-	-	P{acy}{v5}(O{H})=C{acy}	Phosphoryl - hydroxy-ylide tautomerism - 1,3-H shift	1.0000|0|0				0			Constant		Undefined	0	0
434	phase I	1.0000000000	0	0	P{acy}{v5}(O{H})=C{acy}	-	-	P{acy}{v5}(=O)C{H}{acy}{sp3}	Hydroxy-ylide - phosphoryl tautomerism - 1,3-H shift	1.0000|0|0				0			Constant		Undefined	0	0
233	phase I	1.0000000000	0	0	P{acy}{v5}(=S{V2})C{H}{acy}{sp3}	-	-	P{acy}{v5}(S{H}{V2})=C{acy}{sp2}	Thiophosphoryl -  mercapto-ylide tautomerism  - 1,3-H shift	1.0000|0|0				0			Constant		Undefined	0	0
232	phase I	1.0000000000	0	0	P{acy}{v5}(S{H}{V2})=C{acy}{sp2}	-	-	P{acy}{v5}(=S{V2})C{H}{acy}{sp3}	Mercapto-ylide - thiophosphoryl tautomerism  - 1,3-H shift	1.0000|0|0				0			Constant		Undefined	0	0
256	phase I	1.0000000000	0	0	P{ACY}{V5}(=N{acy}{v3})C{H}{ACY}{SP3}	-	-	P{ACY}{V5}(N{ACY}{H}{V3})=C{acy}{sp2}	Phosphorimide - amino-ylide tautomerism - 1,3-H shift	1.0000|0|0				0			Constant		Undefined	0	0
253	phase I	1.0000000000	0	0	P{ACY}{V5}(N{ACY}{H}{V3})=C{acy}{sp2}	-	-	P{ACY}{V5}(=N{acy}{v3})C{H}{ACY}{SP3}	Amino-ylide - phosphorimide tautomerism - 1,3-H shift	1.0000|0|0				0			Constant		Undefined	0	0
194	phase I	1.0000000000	0	0	O=P{ACY}{V5}(N{ACY}{H}{V3})FP1	-	-	O{H}P{acy}{v5}(=N{acy}{v3})FP1	Phosphoramide - phosphorimidol tautomerism - 1,3-H shift	1.0000|0|0				0			Constant		Undefined	0	0
193	phase I	1.0000000000	0	0	O{H}P{acy}{v5}(=N{acy}{v3})FP1	-	-	O=P{acy}{v5}(N{H}{acy}{v3})FP1	Phosphorimidol - phosphoramide tautomerism - 1,3-H shift	1.0000|0|0				0			Constant		Undefined	0	0
50	phase I	1.0000000000	0	0	S{v2}=P{ACY}{V5}(N{ACY}{H}{V3})FP1	-	-	S{H}{V2}P{ACY}{V5}(=N{ACY}{V3})FP1	Phosphorthioamide - phosphorimidothiol tautomerism - 1,3-H shift	1.0000|0|0				0			Constant		Undefined	0	0
102	phase I	1.0000000000	0	0	S{H}{V2}P{ACY}{V5}(=N{ACY}{V3})FP1	-	-	S{v2}=P{ACY}{V5}(N{ACY}{H}{V3})FP1	Phosphorimidothiol - phosphorthioamide tautomerism - 1,3-H shift	1.0000|0|0				0			Constant		Undefined	0	0
169	phase I	1.0000000000	0	0	N{ACY}{V3}=P{ACY}{V5}(N{ACY}{H}{V3})FP1	-	-	N{H}{ACY}{V3}P{ACY}{V5}(=N{ACY}{V3})FP1	Phosphoramine - phosphorimine tautomerism - 1,3-H shift	1.0000|0|0				0			Constant		Undefined	0	0
103	phase I	1.0000000000	0	0	N{H}{ACY}{V3}P{ACY}{V5}(=N{ACY}{V3})FP1	-	-	N{ACY}{V3}=P{ACY}{V5}(N{ACY}{H}{V3})FP1	Phosphorimine - phosphoramine tautomerism - 1,3-H shift	1.0000|0|0				0			Constant		Undefined	0	0
461	phase I	1.0000000000	0	0	N{ACY}{H}{V3}C{ACY}=C{ACY}P{acy}{v5}=O	-	-	N{ACY}{V3}=C{ACY}C{ACY}=P{acy}{v5}O{H}	1,5-H shift in conjugated phosphorus compounds(N,O)	1.0000|0|0				0			Constant		Undefined	0	0
460	phase I	1.0000000000	0	0	N{ACY}{V3}=C{ACY}C{ACY}=P{acy}{v5}O{H}	-	-	N{ACY}{H}{V3}C{ACY}=C{ACY}P{acy}{v5}=O	1,5-H shift in conjugated phosphorus compounds(O,N)	1.0000|0|0				0			Constant		Undefined	0	0
465	phase I	1.0000000000	0	0	O{H}C{ACY}=C{ACY}P{acy}{v5}=O	-	-	O=C{ACY}C{ACY}=P{acy}{v5}O{H}	1,5-H shift in conjugated phosphorus compounds(O,O)	1.0000|0|0				0			Constant		Undefined	0	0
464	phase I	1.0000000000	0	0	O=C{ACY}C{ACY}=P{acy}{v5}O{H}	-	-	O{H}C{ACY}=C{ACY}P{acy}{v5}=O	1,5-H shift in conjugated phosphorus compounds(O,O)	1.0000|0|0				0			Constant		Undefined	0	0
468	phase I	1.0000000000	0	0	S{H}{v2}C{ACY}=C{ACY}P{ACY}{V5}=O	-	-	S{V2}=C{ACY}C{ACY}=P{ACY}{V5}O{H}	1,5-H shift in conjugated phosphorus compounds(S,O)	1.0000|0|0				0			Constant		Undefined	0	0
467	phase I	1.0000000000	0	0	S{V2}=C{ACY}C{ACY}=P{ACY}{V5}O{H}	-	-	S{H}{v2}C{ACY}=C{ACY}P{ACY}{V5}=O	1,5-H shift in conjugated phosphorus compounds(O,S)	1.0000|0|0				0			Constant		Undefined	0	0
470	phase I	1.0000000000	0	0	C{H}{acy}{sp3}C{ACY}=C{ACY}P{ACY}{V5}=O	-	-	C{acy}{sp2}=C{ACY}C{ACY}=P{ACY}{V5}O{H}	1,5-H shift in conjugated phosphorus compounds(C,O)	1.0000|0|0				0			Constant		Undefined	0	0
469	phase I	1.0000000000	0	0	C{acy}{sp2}=C{ACY}C{ACY}=P{ACY}{V5}O{H}	-	-	C{H}{acy}{sp3}C{ACY}=C{ACY}P{ACY}{V5}=O	1,5-H shift in conjugated phosphorus compounds(O,C)	1.0000|0|0				0			Constant		Undefined	0	0
488	phase I	1.0000000000	0	0	O=C{acy}=N{H}{acy}{v3}	-	-	O{H}C{ACY}#N{ACY}{V3}	Isocyanic acid - cyanic acid - 1,3-H shift	1.0000|0|0				0			Constant		Undefined	0	0
513	phase I	1.0000000000	0	0	O{H}C{ACY}#N{ACY}{V3}	-	-	O=C{acy}=N{H}{acy}{v3}	Cyanic acid - isocyanic acid - 1,3-H shift	1.0000|0|0				0			Constant		Undefined	0	0
487	phase I	1.0000000000	0	0	S{V2}=C{ACY}=N{H}{ACY}{V3}	-	-	S{H}{v2}C{ACY}#N{ACY}{V3}	Isothiocyanic acid - thiocyanic acid - 1,3-H shift	1.0000|0|0				0			Constant		Undefined	0	0
514	phase I	1.0000000000	0	0	S{H}{v2}C{ACY}#N{ACY}{V3}	-	-	S{V2}=C{ACY}=N{H}{ACY}{V3}	Thiocyanic acid - isothiocyanic acid - 1,3-H shift	1.0000|0|0				0			Constant		Undefined	0	0
490	phase I	1.0000000000	0	0	CN{ACY}{H}{V3}C{acy}#N{acy}{v3}	-	-	CN{ACY}{V3}=C{acy}=N{H}{acy}{v3}	Cyanamide - carbodiimide tautomerism - 1,3-H shift	1.0000|0|0				0			Constant		Undefined	0	0
489	phase I	1.0000000000	0	0	CN{ACY}{V3}=C{acy}=N{H}{acy}{v3}	-	-	CN{ACY}{H}{V3}C{acy}#N{acy}{v3}	Carbodiimide - cyanamide tautomerism - 1,3-H shift	1.0000|0|0				0			Constant		Undefined	0	0
207	phase I	1.0000000000	0	0	C{ACY}{H}{SP3}C{ACY}#N{V3}	-	-	C{ACY}{SP2}=C{ACY}=N{H}{V3}	Nitrile - ketenimine tautomerism - 1,3-H shift(acy)	1.0000|0|0				0			Constant		Undefined	0	0
206	phase I	1.0000000000	0	0	C{ACY}{SP2}=C{ACY}=N{H}{V3}	-	-	C{ACY}{H}{SP3}C{ACY}#N{V3}	Ketenimine - nitrile tautomerism - 1,3-H shift(acy)	1.0000|0|0				0			Constant		Undefined	0	0
210	phase I	1.0000000000	0	0	N{V3}#C{ACY}C{acy}=C{acy}C{H}{acy}{sp3}	-	-	N{H}{acy}{v3}=C{acy}=C{acy}C{acy}=C{acy}{sp2}	Nitrile - ketenimine tautomerism - 1,5-H shift(acy)	1.0000|0|0				0			Constant		Undefined	0	0
209	phase I	1.0000000000	0	0	N{H}{acy}{v3}=C{ACY}=C{acy}C{acy}=C{acy}{sp2}	-	-	N{V3}#C{ACY}C{acy}=C{acy}C{H}{acy}{sp3}	Ketenimine - nitrile tautomerism - 1,5-H shift(acy)	1.0000|0|0				0			Constant		Undefined	0	0
208	phase I	1.0000000000	0	0	N{v3}#C{ACY}C=CO{H}	-	N{V3}#C{ACY}C{scy}=C{scy}O{H}	N{H}{v3}=C{ACY}=CC=O	Nitrile - ketenimine tautomerism - 1,5-H shift	1.0000|0|0				0			Constant		Undefined	0	0
212	phase I	1.0000000000	0	0	N{H}{v3}=C{ACY}=CC=O	-	N{H}{V3}=C{ACY}=C{SCY}C{SCY}=O	N{v3}#C{ACY}C=CO{H}	Ketenimine - nitrile tautomerism - 1,5-H shift	1.0000|0|0				0			Constant		Undefined	0	0
148	phase I	1.0000000000	0	0	N{V3}#C{ACY}C{scy}=C{scy}O{H}	-	-	N{H}{V3}=C{ACY}=C{SCY}C{SCY}=O	Nitrile - ketenimine tautomerism - 1,5-H shift(EWG-nonIR)	1.0000|0|0				0			Constant		Undefined	0	0
147	phase I	1.0000000000	0	0	N{H}{V3}=C{ACY}=C{SCY}C{SCY}=O	-	-	N{V3}#C{ACY}C{scy}=C{scy}O{H}	Ketenimine - nitrile tautomerism - 1,5-H shift(EWG-nonIR)	1.0000|0|0				0			Constant		Undefined	0	0
211	phase I	1.0000000000	0	0	N{V3}#C{ACY}C=CN{H}{acy}{v3}	-	N{V3}#C{ACY}C{scy}=C{scy}N{ACY}{H}{V3}	N{H}{V3}=C{ACY}=CC=N{ACY}{V3}	Nitrile - ketenimine tautomerism - 1,5-H shift	1.0000|0|0				0			Constant		Undefined	0	0
205	phase I	1.0000000000	0	0	N{H}{V3}=C{ACY}=CC=N{ACY}{V3}	-	N{H}{v3}=C{ACY}=C{SCY}C{SCY}=N{ACY}{V3}	N{V3}#C{ACY}C=CN{H}{acy}{v3}	Ketenimine - nitrile tautomerism - 1,5-H shift	1.0000|0|0				0			Constant		Undefined	0	0
397	phase I	1.0000000000	0	0	N{V3}#C{ACY}C{scy}=C{scy}N{ACY}{H}{V3}	-	-	N{H}{v3}=C{ACY}=C{SCY}C{SCY}=N{ACY}{V3}	Nitrile - ketenimine tautomerism - 1,5-H shift(EWG-nonIR)	1.0000|0|0				0			Constant		Undefined	0	0
168	phase I	1.0000000000	0	0	N{H}{v3}=C{ACY}=C{SCY}C{SCY}=N{ACY}{V3}	-	-	N{V3}#C{ACY}C{scy}=C{scy}N{ACY}{H}{V3}	Ketenimine - nitrile tautomerism - 1,5-H shift(EWG-nonIR)	1.0000|0|0				0			Constant		Undefined	0	0
353	phase I	1.0000000000	0	0	N{V3}#C{ACY}C=CS{H}{v2}	-	N{V3}#C{ACY}C{scy}=C{scy}S{H}{V2}	N{H}{V3}=C{ACY}=CC=S{V2}	Nitrile - ketenimine tautomerism - 1,5-H shift	1.0000|0|0				0			Constant		Undefined	0	0
352	phase I	1.0000000000	0	0	N{H}{V3}=C{ACY}=CC=S{V2}	-	N{H}{V3}=C{ACY}=C{SCY}C{SCY}=S{V2}	N{V3}#C{ACY}C=CS{H}{v2}	Ketenimine - nitrile tautomerism - 1,5-H shift	1.0000|0|0				0			Constant		Undefined	0	0
433	phase I	1.0000000000	0	0	N{V3}#C{ACY}C{scy}=C{scy}S{H}{V2}	-	-	N{H}{V3}=C{ACY}=C{SCY}C{SCY}=S{V2}	Nitrile - ketenimine tautomerism - 1,5-H shift(EWG-nonIR)	1.0000|0|0				0			Constant		Undefined	0	0
398	phase I	1.0000000000	0	0	N{H}{V3}=C{ACY}=C{SCY}C{SCY}=S{V2}	-	-	N{V3}#C{ACY}C{scy}=C{scy}S{H}{V2}	Ketenimine - nitrile tautomerism - 1,5-H shift(EWG-nonIR)	1.0000|0|0				0			Constant		Undefined	0	0
219	phase I	1.0000000000	0	0	C{H}{acy}{sp3}C{acy}=C{acy}C{acy}=C{acy}C{ACY}#N{V3}	-	-	C{ACY}{SP2}=C{ACY}C{ACY}=C{ACY}C{ACY}=C{ACY}=N{H}{acy}{v3}	Nitrile - ketenimine tautomerism - 1,7-H shift(acy)	1.0000|0|0				0			Constant		Undefined	0	0
218	phase I	1.0000000000	0	0	C{ACY}{SP2}=C{ACY}C{ACY}=C{ACY}C{ACY}=C{ACY}=N{H}{acy}{v3}	-	-	C{H}{acy}{sp3}C{acy}=C{acy}C{acy}=C{acy}C{ACY}#N{V3}	Ketenimine - nitrile tautomerism - 1,7-H shift(acy)	1.0000|0|0				0			Constant		Undefined	0	0
217	phase I	1.0000000000	0	0	O{H}C=CC=CC{ACY}#N{v3}	-	C{~1}1C(C{acy}#N{acy}{v3})=C{~1}C=C(O{H})C=1"~1EAG;1"	O=CC=CC=C{ACY}=N{H}{v3}	Nitrile - ketenimine tautomerism - 1,7-H shift	1.0000|0|0				0			Constant		Undefined	0	0
216	phase I	1.0000000000	0	0	O=CC=CC=C{ACY}=N{H}{v3}	-	C{~1}1C(=C{ACY}=N{H}{ACY}{V3})C{~1}=CC(=O)C=1"~1EAG;1"	O{H}C=CC=CC{ACY}#N{v3}	Ketenimine - nitrile tautomerism - 1,7-H shift	1.0000|0|0				0			Constant		Undefined	0	0
447	phase I	1.0000000000	0	0	C{~1}1C(C{ACY}#N{ACY}{V3})=C{~1}C=C(O{H})C=1"~1EAG;1"	-	-	C{~1}1C(=C{ACY}=N{H}{ACY}{V3})C{~1}=CC(=O)C=1"~1EAG;1"	Nitrile - ketenimine tautomerism - 1,7-H shift(o-EWG-Hbond)	1.0000|0|0				0			Constant		Undefined	0	0
446	phase I	1.0000000000	0	0	C{~1}1C(=C{ACY}=N{H}{ACY}{V3})C{~1}=CC(=O)C=1"~1EAG;1"	-	-	C{~1}1C(C{acy}#N{acy}{v3})=C{~1}C=C(O{H})C=1"~1EAG;1"	Ketenimine - nitrile tautomerism - 1,7-H shift(o-EWG-Hbond)	1.0000|0|0				0			Constant		Undefined	0	0
215	phase I	1.0000000000	0	0	N{H}{V3}C=CC=CC{ACY}#N{v3}	-	C{~1}1C(C{ACY}#N{ACY}{V3})=C{~1}C=C(N{H}{acy}{v3})C=1"~1EAG;1"	N{V3}=CC=CC=C{ACY}=N{H}{acy}{v3}	Nitrile - ketenimine tautomerism - 1,7-H shift	1.0000|0|0				0			Constant		Undefined	0	0
213	phase I	1.0000000000	0	0	N{V3}=CC=CC=C{ACY}=N{H}{acy}{v3}	-	C{~1}1C(=C{ACY}=N{ACY}{H}{V3})C{~1}=CC(=N{acy}{v3})C=1"~1EAG;1"	N{H}{V3}C=CC=CC{ACY}#N{v3}	Ketenimine - nitrile tautomerism - 1,7-H shift	1.0000|0|0				0			Constant		Undefined	0	0
451	phase I	1.0000000000	0	0	C{~1}1C(C{ACY}#N{ACY}{V3})=C{~1}C=C(N{H}{acy}{v3})C=1"~1EAG;1"	-	-	C{~1}1C(=C{ACY}=N{ACY}{H}{V3})C{~1}=CC(=N{acy}{v3})C=1"~1EAG;1"	Nitrile - ketenimine tautomerism - 1,7-H shift(o-EWG-Hbond)	1.0000|0|0				0			Constant		Undefined	0	0
450	phase I	1.0000000000	0	0	C{~1}1C(=C{ACY}=N{ACY}{H}{V3})C{~1}=CC(=N{acy}{v3})C=1"~1EAG;1"	-	-	C{~1}1C(C{ACY}#N{ACY}{V3})=C{~1}C=C(N{H}{acy}{v3})C=1"~1EAG;1"	Ketenimine - nitrile tautomerism - 1,7-H shift(o-EWG-Hbond)	1.0000|0|0				0			Constant		Undefined	0	0
449	phase I	1.0000000000	0	0	C{~1}1C(C{ACY}#N{ACY}{V3})=C{~1}C=C(S{H}{v2})C=1"~1EAG;1"	-	-	C{~1}1C(=C{ACY}=N{ACY}{H}{V3})C{~1}=CC(=S{v2})C=1"~1EAG;1"	Nitrile - ketenimine tautomerism - 1,7-H shift(o-EWG-Hbond)	1.0000|0|0				0			Constant		Undefined	0	0
448	phase I	1.0000000000	0	0	C{~1}1C(=C{ACY}=N{ACY}{H}{V3})C{~1}=CC(=S{v2})C=1"~1EAG;1"	-	-	C{~1}1C(C{ACY}#N{ACY}{V3})=C{~1}C=C(S{H}{v2})C=1"~1EAG;1"	Ketenimine - nitrile tautomerism - 1,7-H shift(o-EWG-Hbond)	1.0000|0|0				0			Constant		Undefined	0	0
355	phase I	1.0000000000	0	0	S{H}{v2}C=CC=CC{ACY}#N{V3}	-	C{~1}1C(C{ACY}#N{ACY}{V3})=C{~1}C=C(S{H}{v2})C=1"~1EAG;1"	S{V2}=CC=CC=C{ACY}=N{H}{acy}{v3}	Nitrile - ketenimine tautomerism - 1,7-H shift	1.0000|0|0				0			Constant		Undefined	0	0
354	phase I	1.0000000000	0	0	S{V2}=CC=CC=C{ACY}=N{H}{acy}{v3}	-	C{~1}1C(=C{ACY}=N{ACY}{H}{V3})C{~1}=CC(=S{v2})C=1"~1EAG;1"	S{H}{v2}C=CC=CC{ACY}#N{V3}	Ketenimine - nitrile tautomerism - 1,7-H shift	1.0000|0|0				0			Constant		Undefined	0	0
455	phase I	1.0000000000	0	0	S{v6}(=O)(C{H}{sp3})SAm1	-	-	S{V6}(O{H})(=C)SAm1	Oxothio - hydroxythienyl tautomerism - 1,3-H shift	1.0000|0|0				0			Constant		Undefined	0	0
454	phase I	1.0000000000	0	0	S{V6}(O{H})(=C)SAm1	-	-	S{v6}(=O)(C{H}{sp3})SAm1	Hydroxythienyl - oxothio tautomerism - 1,3-H shift	1.0000|0|0				0			Constant		Undefined	0	0
241	phase I	1.0000000000	0	0	S{v4}(=O)(C{H}{sp3})SAm1	-	-	S{v4}(O{H})(=C)SAm1	Sulfinyl - aci-sulfinyl tautomerism - 1,3-H shift	1.0000|0|0				0			Constant		Undefined	0	0
240	phase I	1.0000000000	0	0	S{v4}(O{H})(=C)SAm1	-	-	S{v4}(=O)(C{H}{sp3})SAm1	Aci-sulfinyl - sulfinyl tautomerism - 1,3-H shift	1.0000|0|0				0			Constant		Undefined	0	0
242	phase I	1.0000000000	0	0	S{V6}(=O)(S{H}{V2})C	-	-	S{V6}(O{H})(=S{V2})C	Oxothio - hydroxythio-thiono tautomerism - 1,3-H shift	1.0000|0|0				0			Constant		Undefined	0	0
243	phase I	1.0000000000	0	0	S{V6}(O{H})(=S{V2})C	-	-	S{V6}(=O)(S{H}{V2})C	Hydroxythio-thiono - oxothio tautomerism - 1,3-H shift	1.0000|0|0				0			Constant		Undefined	0	0
221	phase I	1.0000000000	0	0	S{V6}(=O)(N{H}{V3})SAm1	-	-	S{V6}(O{H})(=N{V3})SAm1	Sulfonamide - sulfonimidol tautomerism - 1,3-H shift	1.0000|0|0				0			Constant		Undefined	0	0
220	phase I	1.0000000000	0	0	S{V6}(O{H})(=N{V3})SAm1	-	-	S{V6}(=O)(N{H}{V3})SAm1	Sulfonimidol - sulfonamide tautomerism - 1,3-H shift	1.0000|0|0				0			Constant		Undefined	0	0
259	phase I	1.0000000000	0	0	S{v4}(=O)(N{H}{V3})SAm1	-	-	S{V4}(O{H})(=N{V3})SAm1	Sulfinamide - sulfinimidol tautomerism - 1,3-H shift	1.0000|0|0				0			Constant		Undefined	0	0
257	phase I	1.0000000000	0	0	S{V4}(O{H})(=N{V3})SAm1	-	-	S{v4}(=O)(N{H}{V3})SAm1	Sulfinimidol - sulfinamide tautomerism - 1,3-H shift	1.0000|0|0				0			Constant		Undefined	0	0
252	phase I	1.0000000000	0	0	S{V4}(=O)(S{H}{v2})C	-	-	S{V4}(O{H})(=S{V2})C	Thiosulfinic acid  - 1,3-H shift	1.0000|0|0				0			Constant		Undefined	0	0
246	phase I	1.0000000000	0	0	S{V4}(O{H})(=S{V2})C	-	-	S{V4}(=O)(S{H}{v2})C	Thiosulfinic acid  - 1,3-H shift	1.0000|0|0				0			Constant		Undefined	0	0
274	phase I	1.0000000000	0	0	N{H}{V3}C=CS{v4}=O	-	N{ACY}{H}{V3}C{SCY}=C{SCY}S{V4}(=O)C	N{V3}=CC=S{V4}O{H}	1,5-H shift in conjugated sulfur(v.4) compounds(N,O)	1.0000|0|0				0			Constant		Undefined	0	0
273	phase I	1.0000000000	0	0	N{V3}=CC=S{V4}O{H}	-	N{ACY}{V3}=C{SCY}C{SCY}=S{V4}(O{H})C	N{H}{V3}C=CS{v4}=O	1,5-H shift in conjugated sulfur(v.4) compounds(O,N)	1.0000|0|0				0			Constant		Undefined	0	0
435	phase I	1.0000000000	0	0	N{H}{ACY}{V3}C{SCY}=C{SCY}S{V4}(=O)C	-	-	N{ACY}{V3}=C{SCY}C{SCY}=S{V4}(O{H})C	1,5-H shift in conjugated sulfur(v.4) compounds(N,O)(EWG-nonIR)	1.0000|0|0				0			Constant		Undefined	0	0
424	phase I	1.0000000000	0	0	N{ACY}{V3}=C{SCY}C{SCY}=S{V4}(O{H})C	-	-	N{H}{ACY}{V3}C{SCY}=C{SCY}S{V4}(=O)C	1,5-H shift in conjugated sulfur(v.4) compounds(O,N)(EWG-nonIR)	1.0000|0|0				0			Constant		Undefined	0	0
345	phase I	1.0000000000	0	0	N{H}{v3}C=CS{v6}=O	-	N{H}{acy}{v3}C{scy}=C{SCY}S{V6}(=O)(=O)C	N{V3}=CC=S{V6}O{H}	1,5-H shift in conjugated sulfur(v.6) compounds(N,O)	1.0000|0|0				0			Constant		Undefined	0	0
344	phase I	1.0000000000	0	0	N{V3}=CC=S{V6}O{H}	-	N{ACY}{V3}=C{SCY}C{scy}=S{V6}(=O)(O{H})C	N{H}{v3}C=CS{v6}=O	1,5-H shift in conjugated sulfur(v.6) compounds(O,N)	1.0000|0|0				0			Constant		Undefined	0	0
437	phase I	1.0000000000	0	0	N{H}{acy}{v3}C{scy}=C{SCY}S{V6}(=O)(=O)C	-	-	N{ACY}{V3}=C{SCY}C{scy}=S{V6}(=O)(O{H})C	1,5-H shift in conjugated sulfur(v.6) compounds(N,O)(EWG-nonIR)	1.0000|0|0				0			Constant		Undefined	0	0
436	phase I	1.0000000000	0	0	N{ACY}{V3}=C{SCY}C{scy}=S{V6}(=O)(O{H})C	-	-	N{H}{acy}{v3}C{scy}=C{SCY}S{V6}(=O)(=O)C	1,5-H shift in conjugated sulfur(v.6) compounds(O,N)(EWG-nonIR)	1.0000|0|0				0			Constant		Undefined	0	0
272	phase I	1.0000000000	0	0	S{H}{V2}C=CS{v4}=O	-	S{H}{V2}C{scy}=C{scy}S{V4}(=O)C	S{V2}=CC=S{V4}O{H}	1,5-H shift in conjugated sulfur(v.4) compounds(S,O)	1.0000|0|0				0			Constant		Undefined	0	0
271	phase I	1.0000000000	0	0	S{V2}=CC=S{V4}O{H}	-	S{V2}=C{SCY}C{SCY}=S{V4}(O{H})C	S{H}{V2}C=CS{v4}=O	1,5-H shift in conjugated sulfur(v.4) compounds(O,S)	1.0000|0|0				0			Constant		Undefined	0	0
237	phase I	1.0000000000	0	0	S{H}{V2}C{scy}=C{scy}S{V4}(=O)C	-	-	S{V2}=C{SCY}C{SCY}=S{V4}(O{H})C	1,5-H shift in conjugated sulfur(v.4) compounds(S,O)(EWG-nonIR)	1.0000|0|0				0			Constant		Undefined	0	0
236	phase I	1.0000000000	0	0	S{V2}=C{SCY}C{SCY}=S{V4}(O{H})C	-	-	S{H}{V2}C{scy}=C{scy}S{V4}(=O)C	1,5-H shift in conjugated sulfur(v.4) compounds(O,S)(EWG-nonIR)	1.0000|0|0				0			Constant		Undefined	0	0
457	phase I	1.0000000000	0	0	S{H}{V2}C=CS{v6}=O	-	S{H}{V2}C{SCY}=C{SCY}S{ACY}{V6}(=O)(=O)C	S{V2}=CC=S{V6}O{H}	1,5-H shift in conjugated sulfur(v.6) compounds(S,O)	1.0000|0|0				0			Constant		Undefined	0	0
456	phase I	1.0000000000	0	0	S{V2}=CC=S{V6}O{H}	-	S{V2}=C{SCY}C{SCY}=S{ACY}{V6}(=O)(O{H})C	S{H}{V2}C=CS{v6}=O	1,5-H shift in conjugated sulfur(v.6) compounds(O,S)	1.0000|0|0				0			Constant		Undefined	0	0
284	phase I	1.0000000000	0	0	S{H}{V2}C{SCY}=C{SCY}S{ACY}{V6}(=O)(=O)C	-	-	S{V2}=C{SCY}C{SCY}=S{ACY}{V6}(=O)(O{H})C	1,5-H shift in conjugated sulfur(v.6) compounds(S,O)(EWG-nonIR)	1.0000|0|0				0			Constant		Undefined	0	0
283	phase I	1.0000000000	0	0	S{V2}=C{SCY}C{SCY}=S{ACY}{V6}(=O)(O{H})C	-	-	S{H}{V2}C{SCY}=C{SCY}S{ACY}{V6}(=O)(=O)C	1,5-H shift in conjugated sulfur(v.6) compounds(O,S)(EWG-nonIR)	1.0000|0|0				0			Constant		Undefined	0	0
270	phase I	1.0000000000	0	0	O{H}C=CS{v4}=O	-	O{H}C{SCY}=C{SCY}S{acy}{v4}(=O)C	O=CC=S{V4}O{H}	1,5-H shift in conjugated sulfur(v.4) compounds(O,O)	1.0000|0|0				0			Constant		Undefined	0	0
267	phase I	1.0000000000	0	0	O=CC=S{V4}O{H}	-	O=C{SCY}C{SCY}=S{ACY}{V4}(O{H})C	O{H}C=CS{v4}=O	1,5-H shift in conjugated sulfur(v.4) compounds(O,O)	1.0000|0|0				0			Constant		Undefined	0	0
439	phase I	1.0000000000	0	0	O{H}C{SCY}=C{SCY}S{acy}{v4}(=O)C	-	-	O=C{SCY}C{SCY}=S{ACY}{V4}(O{H})C	1,5-H shift in conjugated sulfur(v.4) compounds(O,O)(EWG-nonIR)	1.0000|0|0				0			Constant		Undefined	0	0
438	phase I	1.0000000000	0	0	O=C{SCY}C{SCY}=S{ACY}{V4}(O{H})C	-	-	O{H}C{SCY}=C{SCY}S{acy}{v4}(=O)C	1,5-H shift in conjugated sulfur(v.4) compounds(O,O)(EWG-nonIR)	1.0000|0|0				0			Constant		Undefined	0	0
463	phase I	1.0000000000	0	0	O{H}C=CS{v6}=O	-	O{H}C{scy}=C{scy}S{ACY}{V6}(=O)(=O)C	O=CC=S{V6}O{H}	1,5-H shift in conjugated sulfur(v.6) compounds(O,O)	1.0000|0|0				0			Constant		Undefined	0	0
462	phase I	1.0000000000	0	0	O=CC=S{V6}O{H}	-	O=C{SCY}C{SCY}=S{ACY}{V6}(=O)(O{H})C	O{H}C=CS{v6}=O	1,5-H shift in conjugated sulfur(v.6) compounds(O,O)	1.0000|0|0				0			Constant		Undefined	0	0
261	phase I	1.0000000000	0	0	O{H}C{scy}=C{scy}S{ACY}{V6}(=O)(=O)C	-	-	O=C{SCY}C{SCY}=S{ACY}{V6}(=O)(O{H})C	1,5-H shift in conjugated sulfur(v.6) compounds(O,O)(EWG-nonIR)	1.0000|0|0				0			Constant		Undefined	0	0
260	phase I	1.0000000000	0	0	O=C{SCY}C{SCY}=S{ACY}{V6}(=O)(O{H})C	-	-	O{H}C{scy}=C{scy}S{ACY}{V6}(=O)(=O)C	1,5-H shift in conjugated sulfur(v.6) compounds(O,O)(EWG-nonIR)	1.0000|0|0				0			Constant		Undefined	0	0
365	phase I	1.0000000000	0	0	C{ACY}(C{H}{acy}{sp3})=C{ACY}S{ACY}{V4}=O	-	-	C{ACY}(=C{acy})C{ACY}=S{ACY}{V4}O{H}	1,5-H shift in conjugated sulfur(v.4) compounds(C,O)(acy)	1.0000|0|0				0			Constant		Undefined	0	0
358	phase I	1.0000000000	0	0	C{ACY}(=C{acy})C{ACY}=S{ACY}{V4}O{H}	-	-	C{ACY}(C{H}{acy}{sp3})=C{ACY}S{ACY}{V4}=O	1,5-H shift in conjugated sulfur(v.4) compounds(O,C)(acy)	1.0000|0|0				0			Constant		Undefined	0	0
263	phase I	1.0000000000	0	0	C{ACY}(C{ACY}{H}{SP3})=C{ACY}S{acy}{v6}=O	-	-	C{ACY}(=C{ACY})C{ACY}=S{acy}{v6}O{H}	1,5-H shift in conjugated sulfur(v.6) compounds(C,O)(acy)	1.0000|0|0				0			Constant		Undefined	0	0
262	phase I	1.0000000000	0	0	C{ACY}(=C{ACY})C{ACY}=S{acy}{v6}O{H}	-	-	C{ACY}(C{ACY}{H}{SP3})=C{ACY}S{acy}{v6}=O	1,5-H shift in conjugated sulfur(v.6) compounds(O,C)(acy)	1.0000|0|0				0			Constant		Undefined	0	0
357	phase I	1.0000000000	0	0	C{ACY}(=C{ACY}S{acy}{v4}=O)C{ACY}=C{ACY}C{ACY}{H}{SP3}	-	-	C{ACY}(C{ACY}=S{ACY}{V4}O{H})=C{ACY}C{ACY}=C{acy}	1,7-H shift in conjugated sulfur(v.4) compounds(C,O)(acy)	1.0000|0|0				0			Constant		Undefined	0	0
356	phase I	1.0000000000	0	0	C{ACY}(C{ACY}=S{ACY}{V4}O{H})=C{ACY}C{ACY}=C{acy}	-	-	C{ACY}(=C{ACY}S{acy}{v4}=O)C{ACY}=C{ACY}C{ACY}{H}{SP3}	1,7-H shift in conjugated sulfur(v.4) compounds(O,C)(acy)	1.0000|0|0				0			Constant		Undefined	0	0
369	phase I	1.0000000000	0	0	C(=CS{V4}=O)C=CN{H}{ACY}{V3}	-	C1=C{~1}C(S{V4}(=O)SA)=C{~1}C=C1N{H}{acy}{v3}"~1EAG;1"	C(C=S{v4}O{H})=CC=N{acy}{v3}	1,7-H shift in conjugated sulfur(v.4) compounds(N,O)	1.0000|0|0				0			Constant		Undefined	0	0
368	phase I	1.0000000000	0	0	C(C=S{v4}O{H})=CC=N{acy}{v3}	-	C1=C{~1}C(=S{V4}(O{H})SA)C{~1}=CC1=N{acy}{v3}"~1EAG;1"	C(=CS{V4}=O)C=CN{H}{ACY}{V3}	1,7-H shift in conjugated sulfur(v.4) compounds(O,N)	1.0000|0|0				0			Constant		Undefined	0	0
331	phase I	1.0000000000	0	0	C{ACY}(=C{ACY}S{acy}{v6}=O)C{ACY}=C{ACY}C{ACY}{H}{SP3}	-	-	C{ACY}(C{ACY}=S{acy}{v6}O{H})=C{ACY}C{ACY}=C{ACY}	1,7-H shift in conjugated sulfur(v.6) compounds(C,O)(acy)	1.0000|0|0				0			Constant		Undefined	0	0
264	phase I	1.0000000000	0	0	C{ACY}(C{ACY}=S{acy}{v6}O{H})=C{ACY}C{ACY}=C{ACY}	-	-	C{ACY}(=C{ACY}S{acy}{v6}=O)C{ACY}=C{ACY}C{ACY}{H}{SP3}	1,7-H shift in conjugated sulfur(v.6) compounds(O,C)(acy)	1.0000|0|0				0			Constant		Undefined	0	0
466	phase I	1.0000000000	0	0	C(=CS{V6}=O)C=CN{H}{ACY}{V3}	-	C1=C{~1}C(S{v6}(=O)(SA)=O)=C{~1}C=C1N{H}{V3}"~1EAG;1"	C(C=S{V6}O{H})=CC=N{ACY}{V3}	1,7-H shift in conjugated sulfur(v.6) compounds(N,O)	1.0000|0|0				0			Constant		Undefined	0	0
258	phase I	1.0000000000	0	0	C(C=S{V6}O{H})=CC=N{ACY}{V3}	-	C1=C{~1}C(=S{V6}(O{H})(SA)=O)C{~1}=CC1=N{V3}"~1EAG;1"	C(=CS{V6}=O)C=CN{H}{ACY}{V3}	1,7-H shift in conjugated sulfur(v.6) compounds(O,N)	1.0000|0|0				0			Constant		Undefined	0	0
266	phase I	1.0000000000	0	0	C1=C{~1}C(S{V4}(=O)SA)=C{~1}C=C1N{H}{acy}{v3}"~1EAG;1"	-	-	C1=C{~1}C(=S{V4}(O{H})SA)C{~1}=CC1=N{acy}{v3}"~1EAG;1"	1,7-H shift in conjugated sulfur(v.4) compounds(N,O)(o-EWG-Hbond)	1.0000|0|0				0			Constant		Undefined	0	0
265	phase I	1.0000000000	0	0	C1=C{~1}C(=S{V4}(O{H})SA)C{~1}=CC1=N{acy}{v3}"~1EAG;1"	-	-	C1=C{~1}C(S{V4}(=O)SA)=C{~1}C=C1N{H}{acy}{v3}"~1EAG;1"	1,7-H shift in conjugated sulfur(v.4) compounds(O,N)(o-EWG-Hbond)	1.0000|0|0				0			Constant		Undefined	0	0
472	phase I	1.0000000000	0	0	C1=C{~1}C(S{v6}(=O)(SA)=O)=C{~1}C=C1N{H}{V3}"~1EAG;1"	-	-	C1=C{~1}C(=S{V6}(O{H})(SA)=O)C{~1}=CC1=N{V3}"~1EAG;1"	1,7-H shift in conjugated sulfur(v.6) compounds(N,O)(o-EWG-Hbond)	1.0000|0|0				0			Constant		Undefined	0	0
471	phase I	1.0000000000	0	0	C1=C{~1}C(=S{V6}(O{H})(SA)=O)C{~1}=CC1=N{V3}"~1EAG;1"	-	-	C1=C{~1}C(S{v6}(=O)(SA)=O)=C{~1}C=C1N{H}{V3}"~1EAG;1"	1,7-H shift in conjugated sulfur(v.6) compounds(O,N)(o-EWG-Hbond)	1.0000|0|0				0			Constant		Undefined	0	0
367	phase I	1.0000000000	0	0	C1=C{~1}C(S{V4}(=O)SA)=C{~1}C=C1S{H}{V2}"~1EAG;1"	-	-	C1=C{~1}C(=S{V4}(O{H})SA)C{~1}=CC1=S{V2}"~1EAG;1"	1,7-H shift in sulfinic acid derivatives(o-EWG-Hbond)	1.0000|0|0				0			Constant		Undefined	0	0
366	phase I	1.0000000000	0	0	C1=C{~1}C(=S{V4}(O{H})SA)C{~1}=CC1=S{V2}"~1EAG;1"	-	-	C1=C{~1}C(S{V4}(=O)SA)=C{~1}C=C1S{H}{V2}"~1EAG;1"	1,7-H shift in sulfinic acid derivatives(o-EWG-Hbond)	1.0000|0|0				0			Constant		Undefined	0	0
347	phase I	1.0000000000	0	0	C(=CS{V4}=O)C=CS{H}{v2}	-	C1=C{~1}C(S{V4}(=O)SA)=C{~1}C=C1S{H}{V2}"~1EAG;1"	C(C=S{V4}O{H})=CC=S{V2}	1,7-H shift in conjugated sulfur(v.4) compounds(S,O)	1.0000|0|0				0			Constant		Undefined	0	0
346	phase I	1.0000000000	0	0	C(C=S{V4}O{H})=CC=S{V2}	-	C1=C{~1}C(=S{V4}(O{H})SA)C{~1}=CC1=S{V2}"~1EAG;1"	C(=CS{V4}=O)C=CS{H}{v2}	1,7-H shift in conjugated sulfur(v.4) compounds(O,S)	1.0000|0|0				0			Constant		Undefined	0	0
335	phase I	1.0000000000	0	0	C(=CS{v4}=O)C=CO{H}	-	C1=C{~1}C(S{V4}(=O)SA)=C{~1}C=C1O{H}"~1EAG;1"	C(C=S{V4}O{H})=CC=O	1,7-H shift in conjugated sulfur(v.4) compounds(O,O)(OH)	1.0000|0|0				0			Constant		Undefined	0	0
334	phase I	1.0000000000	0	0	C(C=S{V4}O{H})=CC=O	-	C1=C{~1}C(=S{V4}(O{H})SA)C{~1}=CC1=O"~1EAG;1"	C(=CS{v4}=O)C=CO{H}	1,7-H shift in conjugated sulfur(v.4) compounds(O,O)	1.0000|0|0				0			Constant		Undefined	0	0
480	phase I	1.0000000000	0	0	C1=C{~1}C(S{V4}(=O)SA)=C{~1}C=C1O{H}"~1EAG;1"	-	-	C1=C{~1}C(=S{V4}(O{H})SA)C{~1}=CC1=O"~1EAG;1"	1,7-H shift in conjugated sulfur(v.4) compounds(O,O)(o-EWG-Hbond)	1.0000|0|0				0			Constant		Undefined	0	0
479	phase I	1.0000000000	0	0	C1=C{~1}C(=S{V4}(O{H})SA)C{~1}=CC1=O"~1EAG;1"	-	-	C1=C{~1}C(S{V4}(=O)SA)=C{~1}C=C1O{H}"~1EAG;1"	1,7-H shift in conjugated sulfur(v.4) compounds(O,O)(o-EWG-Hbond)	1.0000|0|0				0			Constant		Undefined	0	0
484	phase I	1.0000000000	0	0	C1=C{~1}C(S{V6}(=O)(SA)=O)=C{~1}C=C1S{H}{V2}"~1EAG;1"	-	-	C1=C{~1}C(=S{V6}(O{H})(SA)=O)C{~1}=CC1=S{V2}"~1EAG;1"	1,7-H shift in conjugated sulfur(v.6) compounds(S,O)(o-EWG-Hbond)	1.0000|0|0				0			Constant		Undefined	0	0
483	phase I	1.0000000000	0	0	C1=C{~1}C(=S{V6}(O{H})(SA)=O)C{~1}=CC1=S{V2}"~1EAG;1"	-	-	C1=C{~1}C(S{V6}(=O)(SA)=O)=C{~1}C=C1S{H}{V2}"~1EAG;1"	1,7-H shift in conjugated sulfur(v.6) compounds(S,O)(o-EWG-Hbond)	1.0000|0|0				0			Constant		Undefined	0	0
348	phase I	1.0000000000	0	0	C(=CS{V6}=O)C=CS{H}{v2}	-	C1=C{~1}C(S{V6}(=O)(SA)=O)=C{~1}C=C1S{H}{V2}"~1EAG;1"	C(C=S{V6}O{H})=CC=S{V2}	1,7-H shift in conjugated sulfur(v.6) compounds(S,O)	1.0000|0|0				0			Constant		Undefined	0	0
349	phase I	1.0000000000	0	0	C(C=S{V6}O{H})=CC=S{V2}	-	C1=C{~1}C(=S{V6}(O{H})(SA)=O)C{~1}=CC1=S{V2}"~1EAG;1"	C(=CS{V6}=O)C=CS{H}{v2}	1,7-H shift in conjugated sulfur(v.6) compounds(O,S)	1.0000|0|0				0			Constant		Undefined	0	0
336	phase I	1.0000000000	0	0	C(=CS{V6}=O)C=CO{H}	-	C1=C{~1}C(S{V6}(=O)(SA)=O)=C{~1}C=C1O{H}"~1EAG;1"	C(C=S{V6}O{H})=CC=O	1,7-H shift in conjugated sulfur(v.6) compounds(O,O)(OH)	1.0000|0|0				0			Constant		Undefined	0	0
350	phase I	1.0000000000	0	0	C(C=S{V6}O{H})=CC=O	-	C1=C{~1}C(=S{V6}(O{H})(SA)=O)C{~1}=CC1=O"~1EAG;1"	C(=CS{V6}=O)C=CO{H}	1,7-H shift in conjugated sulfur(v.6) compounds(O,O)	1.0000|0|0				0			Constant		Undefined	0	0
482	phase I	1.0000000000	0	0	C1=C{~1}C(S{V6}(=O)(SA)=O)=C{~1}C=C1O{H}"~1EAG;1"	-	-	C1=C{~1}C(=S{V6}(O{H})(SA)=O)C{~1}=CC1=O"~1EAG;1"	1,7-H shift in sulfonic acid derivatives(o-EWG-Hbond)	1.0000|0|0				0			Constant		Undefined	0	0
481	phase I	1.0000000000	0	0	C1=C{~1}C(=S{V6}(O{H})(SA)=O)C{~1}=CC1=O"~1EAG;1"	-	-	C1=C{~1}C(S{V6}(=O)(SA)=O)=C{~1}C=C1O{H}"~1EAG;1"	1,7-H shift in sulfonic acid derivatives(o-EWG-Hbond)	1.0000|0|0				0			Constant		Undefined	0	0
229	phase I	1.0000000000	0	0	C{ACY}{H}{SP3}N{ACY}{V3}=N{H}{ACY}{V3}	-	-	C{acy}=N{ACY}{V3}N{H2}{ACY}{V3}	Diazene - hydrazone tautomerism - 1,3-H shift(acy)	1.0000|0|0				0			Constant		Undefined	0	0
228	phase I	1.0000000000	0	0	C{acy}=N{ACY}{V3}N{H2}{ACY}{V3}	-	-	C{ACY}{H}{SP3}N{ACY}{V3}=N{H}{ACY}{V3}	Hydrazone - diazene tautomerism - 1,3-H shift(acy)	1.0000|0|0				0			Constant		Undefined	0	0
239	phase I	1.0000000000	0	0	C{ACY}{H}{SP3}C{ACY}=C{ACY}N{ACY}{V3}=N{H}{ACY}{V3}	-	-	C{ACY}=C{ACY}C{ACY}=N{ACY}{V3}N{H}{ACY}{H}{V3}	Diazene - hydrazone tautomerism - 1,5-H shift(acy)	1.0000|0|0				0			Constant		Undefined	0	0
238	phase I	1.0000000000	0	0	C{ACY}=C{ACY}C{ACY}=N{ACY}{V3}N{H}{ACY}{H}{V3}	-	-	C{ACY}{H}{SP3}C{ACY}=C{ACY}N{ACY}{V3}=N{H}{ACY}{V3}	Hydrazone - diazene tautomerism - 1,5-H shift(acy)	1.0000|0|0				0			Constant		Undefined	0	0
227	phase I	1.0000000000	0	0	C{acy}#C{acy}N{H}{acy}{v3}	-	-	C{H}{acy}=C{acy}=N{acy}{v3}	Ynamine - ketenimine tautomerism - 1,3-H shift(acy)	1.0000|0|0				0			Constant		Undefined	0	0
226	phase I	1.0000000000	0	0	C{H}{acy}=C{acy}=N{acy}{v3}	-	-	C{acy}#C{acy}N{H}{acy}{v3}	Ketenimine - ynamine tautomerism - 1,3-H shift(acy)	1.0000|0|0				0			Constant		Undefined	0	0
136	phase I	1.0000000000	0	0	C1([Te]{H}{v2})=C2C(N{V3}C{~1}{@}=C{~1}{@}1)=NC{~1}{@}=C{~1}{@}2"~@1Het1;C,N"	-	-	C1(=[Te]{v2})C2=C(N{V3}C{~1}{@}=C{~1}{@}1)N{H}C{~1}{@}=C{~1}{@}2"~@1Het1;C,N"	1,5-H shift (Bicyclic Aroheterocyclic)	1.0000|0|0				0			Constant		Undefined	0	0
93	phase I	1.0000000000	0	0	C1(=[Te]{v2})C2=C(N{V3}C{~1}{@}=C{~1}{@}1)N{H}C{~1}{@}=C{~1}{@}2"~@1Het1;C,N"	-	-	C1([Te]{H}{v2})=C2C(N{V3}C{~1}{@}=C{~1}{@}1)=NC{~1}{@}=C{~1}{@}2"~@1Het1;C,N"	1,5-H shift (Bicyclic Aroheterocyclic)	1.0000|0|0				0			Constant		Undefined	0	0



