idx,rsmi,psmi,rinchi,pinchi,dE0,dHrxn298,rmg_family
0,[C:1]([c:2]1[n:3][o:4][n:5][n:6]1)([H:7])([H:8])[H:9],[C:1]1([H:7])([H:8])/[C:2](=[N:3]\[H:9])[N:6]1[N:5]=[O:4],InChI=1S/C2H3N3O/c1-2-3-5-6-4-2/h1H3,"InChI=1S/C2H3N3O/c3-2-1-5(2)4-6/h3H,1H2/b3-2+",77.68929,39.67568,
1,[C:1]([c:2]1[n:3][o:4][n:5][n:6]1)([H:7])([H:8])[H:9],[C:1]([C:2](=[N:3][O-:4])[N+:6]#[N:5])([H:7])([H:8])[H:9],InChI=1S/C2H3N3O/c1-2-3-5-6-4-2/h1H3,InChI=1S/C2H3N3O/c1-2(4-3)5-6/h1H3,45.36772,10.92837,
2,[C:1]([c:2]1[n:3][o:4][n:5][n:6]1)([H:7])([H:8])[H:9],[C:1](=[C:2]1[N-:3][O+:4]=[N:5][N:6]1[H:9])([H:7])[H:8],InChI=1S/C2H3N3O/c1-2-3-5-6-4-2/h1H3,"InChI=1S/C2H3N3O/c1-2-3-5-6-4-2/h3H,1H2",84.71304,50.337340000000005,
3,[C:1]([c:2]1[n:3][o:4][n:5][n:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]#[N:3])([H:7])([H:8])[H:9].[O:4]=[N+:5]=[N-:6],InChI=1S/C2H3N3O/c1-2-3-5-6-4-2/h1H3,InChI=1S/C2H3N.N2O/c2*1-2-3/h1H3;,24.03598,-15.0895,
4,[C:1]([c:2]1[n:3][o:4][n:5][n:6]1)([H:7])([H:8])[H:9],[C:1](=[C:2]1[N:3]([H:8])[O:4][N:5]=[N:6]1)([H:7])[H:9],InChI=1S/C2H3N3O/c1-2-3-5-6-4-2/h1H3,"InChI=1S/C2H3N3O/c1-2-3-5-6-4-2/h4H,1H2",77.67989,32.07768,
5,[C:1]([c:2]1[n:3][o:4][n:5][n:6]1)([H:7])([H:8])[H:9],[C:1]([N:3]=[C:2]=[N:6][N:5]=[O:4])([H:7])([H:8])[H:9],InChI=1S/C2H3N3O/c1-2-3-5-6-4-2/h1H3,InChI=1S/C2H3N3O/c1-3-2-4-5-6/h1H3,67.77917,18.379920000000002,
6,[C:1]([O:2][C:3]([C:4]([O:5][H:13])([H:11])[H:12])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([O:2][H:13])([H:6])([H:7])[H:8].[C:3]1([H:9])([H:10])[C:4]([H:11])([H:12])[O:5]1,"InChI=1S/C3H8O2/c1-5-3-2-4/h4H,2-3H2,1H3","InChI=1S/C2H4O.CH4O/c1-2-3-1;1-2/h1-2H2;2H,1H3",60.26786,28.81758,
7,[C:1]([O:2][C:3]([C:4]([O:5][H:13])([H:11])[H:12])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([O:2][C:3](=[C:4]([H:11])[H:12])[H:10])([H:6])([H:7])[H:8].[O:5]([H:9])[H:13],"InChI=1S/C3H8O2/c1-5-3-2-4/h4H,2-3H2,1H3","InChI=1S/C3H6O.H2O/c1-3-4-2;/h3H,1H2,2H3;1H2",64.8573,9.046330000000001,"1,3_Insertion_ROR"
8,[C:1]([O:2][C:3]([C:4]([O:5][H:13])([H:11])[H:12])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1](=[O:2])([H:6])[H:7].[C:3]([C:4]([O:5][H:13])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C3H8O2/c1-5-3-2-4/h4H,2-3H2,1H3","InChI=1S/C2H6O.CH2O/c1-2-3;1-2/h3H,2H2,1H3;1H2",79.70666999999999,6.71508,
9,[C:1]([O:2][C:3]([C:4]([O:5][H:13])([H:11])[H:12])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([O:2][C:4]([O:5][H:13])([H:11])[H:12])([H:6])([H:7])[H:8].[C:3]([H:9])[H:10],"InChI=1S/C3H8O2/c1-5-3-2-4/h4H,2-3H2,1H3","InChI=1S/C2H6O2.CH2/c1-4-2-3;/h3H,2H2,1H3;1H2",88.07836,112.34948,
10,[C:1]([O:2][C:3]([C:4]([O:5][H:13])([H:11])[H:12])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([O:2][C:3]([C:4]([H:8])([H:11])[H:12])([H:9])[H:10])([O:5][H:13])([H:6])[H:7],"InChI=1S/C3H8O2/c1-5-3-2-4/h4H,2-3H2,1H3","InChI=1S/C3H8O2/c1-2-5-3-4/h4H,2-3H2,1H3",96.75441,-7.64003,
11,[C:1]([O:2][C:3]([C:4]([O:5][H:13])([H:11])[H:12])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([O:2][H:13])([H:6])([H:7])[H:8].[C:3]([C:4](=[O:5])[H:12])([H:9])([H:10])[H:11],"InChI=1S/C3H8O2/c1-5-3-2-4/h4H,2-3H2,1H3","InChI=1S/C2H4O.CH4O/c1-2-3;1-2/h2H,1H3;2H,1H3",58.747409999999995,1.30608,
13,[O:1]=[C:2]([N:3]=[N+:4]=[N-:5])[H:6],[N:3](=[N+:4]=[N-:5])[H:6].[O+:1]#[C-:2],InChI=1S/CHN3O/c2-4-3-1-5/h1H,InChI=1S/CO.HN3/c1-2;1-3-2/h;1H,53.32617,5.043819999999999,"1,2_Insertion_CO"
14,[O:1]=[C:2]([N:3]=[N+:4]=[N-:5])[H:6],[C:2](#[N:3])[H:6].[O:1]=[N+:5]=[N-:4],InChI=1S/CHN3O/c2-4-3-1-5/h1H,InChI=1S/CHN.N2O/c1-2;1-2-3/h1H;,47.72638,12.768989999999999,
15,[O:1]=[C:2]([N:3]=[N+:4]=[N-:5])[H:6],[N:4]#[N:5].[O:1]=[C:2]=[N:3][H:6],InChI=1S/CHN3O/c2-4-3-1-5/h1H,InChI=1S/CHNO.N2/c2-1-3;1-2/h2H;,28.111790000000003,-65.83057,
16,[O:1]=[C:2]([N:3]=[N+:4]=[N-:5])[H:6],[N-:3]=[N+:4]=[N:5].[O:1]=[C:2][H:6],InChI=1S/CHN3O/c2-4-3-1-5/h1H,InChI=1S/CHO.N3/c1-2;1-3-2/h1H;,73.98839,77.75589000000001,
17,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[C@:4]1([H:12])[C:5]([H:13])([H:14])[C:6]2([H:15])[H:16],[C:1]1([H:8])=[C:2]([H:9])[C:3]([H:10])([H:11])[C@@:4]1([C:5]([C:6]([H:7])([H:15])[H:16])([H:13])[H:14])[H:12],"InChI=1S/C6H10/c1-2-6-3-5(1)4-6/h5-6H,1-4H2/t5-,6+","InChI=1S/C6H10/c1-2-6-4-3-5-6/h3-4,6H,2,5H2,1H3/t6-/m1/s1",80.95437,9.367360000000001,
18,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[C@:4]1([H:12])[C:5]([H:13])([H:14])[C:6]2([H:15])[H:16],[C:1]1([H:7])([H:8])[C:2][C:3]([H:10])([H:11])[C:4]1([C:5]([C:6]([H:9])([H:15])[H:16])([H:13])[H:14])[H:12],"InChI=1S/C6H10/c1-2-6-3-5(1)4-6/h5-6H,1-4H2/t5-,6+","InChI=1S/C6H10/c1-2-6-4-3-5-6/h6H,2,4-5H2,1H3",74.07818,80.89471999999999,
19,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[C@:4]1([H:12])[C:5]([H:13])([H:14])[C:6]2([H:15])[H:16],[C:1](=[C:4]([C:5]([C:6]([C:2](=[C:3]([H:10])[H:11])[H:9])([H:15])[H:16])([H:13])[H:14])[H:12])([H:7])[H:8],"InChI=1S/C6H10/c1-2-6-3-5(1)4-6/h5-6H,1-4H2/t5-,6+","InChI=1S/C6H10/c1-3-5-6-4-2/h3-4H,1-2,5-6H2",56.03555,2.63699,
20,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[C@:4]1([H:12])[C:5]([H:13])([H:14])[C:6]2([H:15])[H:16],[C:1]1([H:7])([H:8])[C@:2]([C:3]([H:10])([H:11])[H:12])([H:9])[C:6]([H:15])([H:16])[C:5]([H:13])([H:14])[C:4]1,"InChI=1S/C6H10/c1-2-6-3-5(1)4-6/h5-6H,1-4H2/t5-,6+","InChI=1S/C6H10/c1-6-4-2-3-5-6/h6H,2,4-5H2,1H3/t6-/m0/s1",69.33721,56.37149,
21,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[C@:4]1([H:12])[C:5]([H:13])([H:14])[C:6]2([H:15])[H:16],[C:1]1([H:7])=[C:2]([H:9])[C:3]([H:10])([H:11])[C:4]1([H:8])[H:12].[C:5](=[C:6]([H:15])[H:16])([H:13])[H:14],"InChI=1S/C6H10/c1-2-6-3-5(1)4-6/h5-6H,1-4H2/t5-,6+","InChI=1S/C4H6.C2H4/c1-2-4-3-1;1-2/h1-2H,3-4H2;1-2H2",102.65696,33.303309999999996,
22,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[C@:4]1([H:12])[C:5]([H:13])([H:14])[C:6]2([H:15])[H:16],[C:1]1([H:7])([H:8])[C@:3]2([H:10])[C:2]([H:9])=[C:6]([H:15])[C:5]([H:13])([H:14])[C@:4]12[H:12].[H:11][H:16],"InChI=1S/C6H10/c1-2-6-3-5(1)4-6/h5-6H,1-4H2/t5-,6+","InChI=1S/C6H8.H2/c1-2-5-4-6(5)3-1;/h1-2,5-6H,3-4H2;1H/t5-,6+;/m0./s1",98.24202,20.99996,
23,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[C@:4]1([H:12])[C:5]([H:13])([H:14])[C:6]2([H:15])[H:16],[C:1]([C@:4]1([H:12])[C:3]([H:11])=[C:2]([H:9])[C:6]([H:15])([H:16])[C:5]1([H:13])[H:14])([H:7])([H:8])[H:10],"InChI=1S/C6H10/c1-2-6-3-5(1)4-6/h5-6H,1-4H2/t5-,6+","InChI=1S/C6H10/c1-6-4-2-3-5-6/h2,4,6H,3,5H2,1H3/t6-/m1/s1",121.56646,-14.826839999999999,
24,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[C@:4]1([H:12])[C:5]([H:13])([H:14])[C:6]2([H:15])[H:16],[C:1]1([H:7])([H:8])[C:2]([H:9])([H:11])[C:6]([H:15])([H:16])[C:5]([H:13])([H:14])[C:4]1([C:3][H:10])[H:12],"InChI=1S/C6H10/c1-2-6-3-5(1)4-6/h5-6H,1-4H2/t5-,6+","InChI=1S/C6H10/c1-6-4-2-3-5-6/h1,6H,2-5H2",75.74641,66.30384000000001,
25,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[C@:4]1([H:12])[C:5]([H:13])([H:14])[C:6]2([H:15])[H:16],[C:1]1([H:7])([H:8])[C:2]([C:6]([C:5]([C:4][H:12])([H:13])[H:14])([H:15])[H:16])([H:9])[C:3]1([H:10])[H:11],"InChI=1S/C6H10/c1-2-6-3-5(1)4-6/h5-6H,1-4H2/t5-,6+","InChI=1S/C6H10/c1-2-3-6-4-5-6/h1,6H,2-5H2",115.7543,90.58326,
26,[O:1]([c:2]1=[n:3][c:4]([H:8])[n:5][n:6]1[H:9])[H:7],[O:1](/[C:2]([N:3]1[C:4]([H:8])=[N:5]1)=[N:6]\[H:9])[H:7],"InChI=1S/C2H3N3O/c6-2-3-1-4-5-2/h1H,(H2,3,4,5,6)","InChI=1S/C2H3N3O/c3-2(6)5-1-4-5/h1H,(H2,3,6)",79.7128,64.18536999999999,
27,[O:1]([c:2]1=[n:3][c:4]([H:8])[n:5][n:6]1[H:9])[H:7],[O:1]([C:2]1=[N+:3]=[C-:4][N:5]([H:8])[N:6]1[H:9])[H:7],"InChI=1S/C2H3N3O/c6-2-3-1-4-5-2/h1H,(H2,3,4,5,6)",InChI=1S/C2H3N3O/c6-2-3-1-4-5-2/h4-6H,75.96309000000001,51.87615,
28,[O:1]([c:2]1=[n:3][c:4]([H:8])[n:5][n:6]1[H:9])[H:7],[O:1]([c:2]1[n:3][c:4]([H:8])[n:5]([H:9])[n:6]1)[H:7],"InChI=1S/C2H3N3O/c6-2-3-1-4-5-2/h1H,(H2,3,4,5,6)","InChI=1S/C2H3N3O/c6-2-3-1-4-5-2/h1H,(H2,3,4,5,6)",46.64911,0.98661,
29,[O:1]([c:2]1=[n:3][c:4]([H:8])[n:5][n:6]1[H:9])[H:7],[O:1](/[C:2](=[N:3]/[C-:4]([N+:5]#[N:6])[H:8])[H:9])[H:7],"InChI=1S/C2H3N3O/c6-2-3-1-4-5-2/h1H,(H2,3,4,5,6)","InChI=1S/C2H3N3O/c3-5-1-4-2-6/h1-2H,(H,4,6)",63.55628000000001,34.06841,
30,[O:1]([c:2]1=[n:3][c:4]([H:8])[n:5][n:6]1[H:9])[H:7],[C:4](#[N+:5][N-:6][H:9])[H:8].[O:1]([C:2]#[N:3])[H:7],"InChI=1S/C2H3N3O/c6-2-3-1-4-5-2/h1H,(H2,3,4,5,6)",InChI=1S/CH2N2.CHNO/c1-3-2;2-1-3/h1-2H;3H,83.36708,76.64789,
31,[O:1]([c:2]1=[n:3][c:4]([H:8])[n:5][n:6]1[H:9])[H:7],[O:1]([C:2]([N:3]=[C:4]=[N:5][H:8])=[N:6][H:9])[H:7],"InChI=1S/C2H3N3O/c6-2-3-1-4-5-2/h1H,(H2,3,4,5,6)","InChI=1S/C2H3N3O/c3-1-5-2(4)6/h3H,(H2,4,6)",69.41135,-0.19594,
32,[O:1]([c:2]1=[n:3][c:4]([H:8])[n:5][n:6]1[H:9])[H:7],[O:1]=[c:2]1[n:3]([H:7])[c:4]([H:8])[n:5][n:6]1[H:9],"InChI=1S/C2H3N3O/c6-2-3-1-4-5-2/h1H,(H2,3,4,5,6)","InChI=1S/C2H3N3O/c6-2-3-1-4-5-2/h1H,(H2,3,4,5,6)",36.8854,-6.11077,ketoenol
33,[O:1]([c:2]1=[n:3][c:4]([H:8])[n:5][n:6]1[H:9])[H:7],[C:4](#[N:5])[H:8].[O:1]([N:3]=[C:2]=[N:6][H:9])[H:7],"InChI=1S/C2H3N3O/c6-2-3-1-4-5-2/h1H,(H2,3,4,5,6)","InChI=1S/CH2N2O.CHN/c2-1-3-4;1-2/h2,4H;1H",102.29449,67.36461,
34,[O:1]([c:2]1=[n:3][c:4]([H:8])[n:5][n:6]1[H:9])[H:7],[O:1]([C:2]#[N+:3]/[C:4](=[N:5]\[N-:6][H:9])[H:8])[H:7],"InChI=1S/C2H3N3O/c6-2-3-1-4-5-2/h1H,(H2,3,4,5,6)","InChI=1S/C2H2N3O/c3-5-1-4-2-6/h1,3H/q-1/p+1/b5-1-",79.39953,70.23545,
35,[O:1]([c:2]1=[n:3][c:4]([H:8])[n:5][n:6]1[H:9])[H:7],[O:1]([C:2][N:6]([N:5]1[N:3]=[C:4]1[H:8])[H:9])[H:7],"InChI=1S/C2H3N3O/c6-2-3-1-4-5-2/h1H,(H2,3,4,5,6)","InChI=1S/C2H3N3O/c6-2-4-5-1-3-5/h1,4,6H",125.67161999999999,118.59051000000001,
36,[O:1]([c:2]1=[n:3][c:4]([H:8])[n:5][n:6]1[H:9])[H:7],[O:1]([C:2]1=[N+:5]([N-:6][H:9])[C:4]([H:8])=[N:3]1)[H:7],"InChI=1S/C2H3N3O/c6-2-3-1-4-5-2/h1H,(H2,3,4,5,6)","InChI=1S/C2H3N3O/c3-5-1-4-2(5)6/h1,3H,(H,4,6)",97.63185,96.51341,
37,[O:1]([c:2]1=[n:3][c:4]([H:8])[n:5][n:6]1[H:9])[H:7],[O:1]([C@@:2]1([H:9])[N:3]=[C:4]([H:8])[N:5]=[N:6]1)[H:7],"InChI=1S/C2H3N3O/c6-2-3-1-4-5-2/h1H,(H2,3,4,5,6)","InChI=1S/C2H3N3O/c6-2-3-1-4-5-2/h1-2,6H/t2-/m0/s1",55.424580000000006,43.20095,
38,[O:1]([c:2]1=[n:3][c:4]([H:8])[n:5][n:6]1[H:9])[H:7],[O:1]([C:2]([N+:3]#[C:4][H:8])[N:6]([N-:5])[H:9])[H:7],"InChI=1S/C2H3N3O/c6-2-3-1-4-5-2/h1H,(H2,3,4,5,6)","InChI=1S/C2H2N3O/c1-4-2(6)5-3/h1H,(H,5,6)/q-1/p+1",110.21275,104.9148,
39,[O:1]([c:2]1=[n:3][c:4]([H:8])[n:5][n:6]1[H:9])[H:7],[O:1]([C+:2][N:6]([N:5][C:4](=[N-:3])[H:8])[H:9])[H:7],"InChI=1S/C2H3N3O/c6-2-3-1-4-5-2/h1H,(H2,3,4,5,6)","InChI=1S/C2H3N3O/c3-1-4-5-2-6/h1,5-6H",125.65281999999999,118.26422,
41,[O:1]([c:2]1=[n:3][c:4]([H:8])[n:5][n:6]1[H:9])[H:7],[O:1]([c:2]1[n:3]([H:9])[c:4]([H:8])[n:5][n:6]1)[H:7],"InChI=1S/C2H3N3O/c6-2-3-1-4-5-2/h1H,(H2,3,4,5,6)","InChI=1S/C2H3N3O/c6-2-3-1-4-5-2/h1H,(H2,3,4,5,6)",55.42827,6.94566,
42,[O:1]([C:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])[H:7],[O:1]([C:2]1([C:6]([C:5]([H:8])([H:13])[H:14])([H:15])[H:16])[C:3]([H:9])([H:10])[C:4]1([H:11])[H:12])[H:7],"InChI=1S/C5H10O/c6-5-3-1-2-4-5/h5-6H,1-4H2","InChI=1S/C5H10O/c1-2-5(6)3-4-5/h6H,2-4H2,1H3",105.35953,19.345370000000003,
43,[O:1]([C:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])[H:7],[C:4](=[C:5]([H:13])[H:14])([H:11])[H:12].[O:1]([C:2](=[C:3]([H:9])[H:10])[C:6]([H:8])([H:15])[H:16])[H:7],"InChI=1S/C5H10O/c6-5-3-1-2-4-5/h5-6H,1-4H2","InChI=1S/C3H6O.C2H4/c1-3(2)4;1-2/h4H,1H2,2H3;1-2H2",92.94043,25.92023,
44,[O:1]([C:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])[H:7],[C:2]1([H:8])=[C:6]([H:16])[C:5]([H:13])([H:14])[C:4]([H:11])([H:12])[C:3]1([H:9])[H:10].[O:1]([H:7])[H:15],"InChI=1S/C5H10O/c6-5-3-1-2-4-5/h5-6H,1-4H2","InChI=1S/C5H8.H2O/c1-2-4-5-3-1;/h1-2H,3-5H2;1H2",56.60006,10.356689999999999,"1,3_Insertion_ROR"
45,[O:1]([C:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])[H:7],[H:7][H:12].[O:1]=[C:2]([C:6]([C:5]([C:4](=[C:3]([H:9])[H:10])[H:11])([H:13])[H:14])([H:15])[H:16])[H:8],"InChI=1S/C5H10O/c6-5-3-1-2-4-5/h5-6H,1-4H2","InChI=1S/C5H8O.H2/c1-2-3-4-5-6;/h2,5H,1,3-4H2;1H",68.73356,32.929829999999995,
46,[O:1]([C:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])[H:7],[O:1]([C:2][C:3]([C:4]([C:5]([C:6]([H:8])([H:15])[H:16])([H:13])[H:14])([H:11])[H:12])([H:9])[H:10])[H:7],"InChI=1S/C5H10O/c6-5-3-1-2-4-5/h5-6H,1-4H2","InChI=1S/C5H10O/c1-2-3-4-5-6/h6H,2-4H2,1H3",63.621790000000004,57.91499,
47,[O:1]([C:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])[H:7],[O:1]([C@:2]1([H:8])[C:3]([H:9])([H:10])[C@@:4]1([C:5]([C:6]([H:12])([H:15])[H:16])([H:13])[H:14])[H:11])[H:7],"InChI=1S/C5H10O/c6-5-3-1-2-4-5/h5-6H,1-4H2","InChI=1S/C5H10O/c1-2-4-3-5(4)6/h4-6H,2-3H2,1H3/t4-,5+/m0/s1",107.197,21.20074,
48,[O:1]([C:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])[H:7],[H:7][H:9].[O:1]=[C:2]([C:3]1([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])[H:8],"InChI=1S/C5H10O/c6-5-3-1-2-4-5/h5-6H,1-4H2","InChI=1S/C5H8O.H2/c6-4-5-2-1-3-5;/h4-5H,1-3H2;1H",87.53864,36.7267,
49,[O:1]([C:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])[H:7],[H:11][H:13].[O:1]([C:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:12])=[C:5]([H:14])[C:6]1([H:15])[H:16])[H:7],"InChI=1S/C5H10O/c6-5-3-1-2-4-5/h5-6H,1-4H2","InChI=1S/C5H8O.H2/c6-5-3-1-2-4-5;/h1-2,5-6H,3-4H2;1H",108.55025,28.147070000000003,
50,[O:1]([C:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])[H:7],[O:1]([C:2](=[C:3]([H:8])[H:10])[C:6]([C:5]([C:4]([H:9])([H:11])[H:12])([H:13])[H:14])([H:15])[H:16])[H:7],"InChI=1S/C5H10O/c6-5-3-1-2-4-5/h5-6H,1-4H2","InChI=1S/C5H10O/c1-3-4-5(2)6/h6H,2-4H2,1H3",82.48047,4.21831,
51,[O:1]([C:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])[H:7],[O:1](/[C:2](=[C:6](/[C:5]([C:4]([C:3]([H:9])([H:10])[H:16])([H:11])[H:12])([H:13])[H:14])[H:15])[H:8])[H:7],"InChI=1S/C5H10O/c6-5-3-1-2-4-5/h5-6H,1-4H2","InChI=1S/C5H10O/c1-2-3-4-5-6/h4-6H,2-3H2,1H3/b5-4+",83.53962,10.757,
52,[O:1]([C:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])[H:7],[H:7][H:8].[O:1]=[C:2]1[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16],"InChI=1S/C5H10O/c6-5-3-1-2-4-5/h5-6H,1-4H2",InChI=1S/C5H8O.H2/c6-5-3-1-2-4-5;/h1-4H2;1H,79.05906,11.10623,
53,[O:1]([C:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])[H:7],[O:1]([C:6]([C:5]([C:4]([C:3]([C:2][H:8])([H:9])[H:10])([H:11])[H:12])([H:13])[H:14])([H:15])[H:16])[H:7],"InChI=1S/C5H10O/c6-5-3-1-2-4-5/h5-6H,1-4H2","InChI=1S/C5H10O/c1-2-3-4-5-6/h1,6H,2-5H2",102.5076,94.31726,
54,[O:1]([C:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])[H:7],[H:8][H:15].[O:1]([C:2]1=[C:6]([H:16])[C:5]([H:13])([H:14])[C:4]([H:11])([H:12])[C:3]1([H:9])[H:10])[H:7],"InChI=1S/C5H10O/c6-5-3-1-2-4-5/h5-6H,1-4H2","InChI=1S/C5H8O.H2/c6-5-3-1-2-4-5;/h3,6H,1-2,4H2;1H",110.50271000000001,22.194329999999997,
55,[O:1]([C:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])[H:7],[H:13][H:16].[O:1]([C@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]([H:14])=[C:6]1[H:15])[H:7],"InChI=1S/C5H10O/c6-5-3-1-2-4-5/h5-6H,1-4H2","InChI=1S/C5H8O.H2/c6-5-3-1-2-4-5;/h1,3,5-6H,2,4H2;1H/t5-;/m0./s1",109.17946,28.94947,
56,[O:1]([C:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])[H:7],[C:3]1([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16].[O:1]([C:2][H:8])[H:7],"InChI=1S/C5H10O/c6-5-3-1-2-4-5/h5-6H,1-4H2",InChI=1S/C4H8.CH2O/c1-2-4-3-1;1-2/h1-4H2;1-2H,124.72131,96.45364000000001,
57,[O:1]([C:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])[H:7],[C@:2]12([H:8])[C:3]([H:9])([H:10])[C@@:4]1([H:11])[C:5]([H:13])([H:14])[C:6]2([H:15])[H:16].[O:1]([H:7])[H:12],"InChI=1S/C5H10O/c6-5-3-1-2-4-5/h5-6H,1-4H2","InChI=1S/C5H8.H2O/c1-2-5-3-4(1)5;/h4-5H,1-3H2;1H2/t4-,5+;",87.05869,38.99015,
58,[C:1](/[N:2]=[C:3](/[N:4]([C:5](=[O:6])[H:12])[H:11])[H:10])([H:7])([H:8])[H:9],[C:1]([N:2](/[C:3](=[N:4]/[H:11])[H:10])[C:5](=[O:6])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C3H6N2O/c1-4-2-5-3-6/h2-3H,1H3,(H,4,5,6)","InChI=1S/C3H6N2O/c1-5(2-4)3-6/h2-4H,1H3/b4-2+",37.77274,1.97836,
59,[C:1](/[N:2]=[C:3](/[N:4]([C:5](=[O:6])[H:12])[H:11])[H:10])([H:7])([H:8])[H:9],[C:1]([N+:2](=[C-:3][N:4]([C:5](=[O:6])[H:12])[H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C3H6N2O/c1-4-2-5-3-6/h2-3H,1H3,(H,4,5,6)","InChI=1S/C3H6N2O/c1-4-2-5-3-6/h3-4H,1H3,(H,5,6)",70.72807,28.58012,
60,[C:1](/[N:2]=[C:3](/[N:4]([C:5](=[O:6])[H:12])[H:11])[H:10])([H:7])([H:8])[H:9],[C:1]([O:6]/[C:5](=[N:4]\[H:11])[H:12])([H:7])([H:8])[H:9].[N:2]#[C:3][H:10],"InChI=1S/C3H6N2O/c1-4-2-5-3-6/h2-3H,1H3,(H,4,5,6)","InChI=1S/C2H5NO.CHN/c1-4-2-3;1-2/h2-3H,1H3;1H/b3-2-;",97.71506,32.89759,
61,[C:1](/[N:2]=[C:3](/[N:4]([C:5](=[O:6])[H:12])[H:11])[H:10])([H:7])([H:8])[H:9],[C:1](/[N:2]=[C:3](/[N+:4](=[C-:5][O:6][H:12])[H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C3H6N2O/c1-4-2-5-3-6/h2-3H,1H3,(H,4,5,6)","InChI=1S/C3H6N2O/c1-4-2-5-3-6/h2,5-6H,1H3/b4-2+",73.66279,39.08267,
62,[C:1](/[N:2]=[C:3](/[N:4]([C:5](=[O:6])[H:12])[H:11])[H:10])([H:7])([H:8])[H:9],[C:1]([N:2]=[C:3]=[N:4][H:11])([H:7])([H:8])[H:9].[C:5](=[O:6])([H:10])[H:12],"InChI=1S/C3H6N2O/c1-4-2-5-3-6/h2-3H,1H3,(H,4,5,6)","InChI=1S/C2H4N2.CH2O/c1-4-2-3;1-2/h3H,1H3;1H2",68.6388,32.99767,
63,[C:1](/[N:2]=[C:3](/[N:4]([C:5](=[O:6])[H:12])[H:11])[H:10])([H:7])([H:8])[H:9],[C:1](/[N:2]=[C:3](/[N:4]=[C:5](/[O:6][H:11])[H:12])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C3H6N2O/c1-4-2-5-3-6/h2-3H,1H3,(H,4,5,6)","InChI=1S/C3H6N2O/c1-4-2-5-3-6/h2-3H,1H3,(H,4,5,6)",42.471540000000005,11.527660000000001,ketoenol
64,[C:1](/[N:2]=[C:3](/[N:4]([C:5](=[O:6])[H:12])[H:11])[H:10])([H:7])([H:8])[H:9],[C-:5]#[O+:6].[C:1]([N:2](/[C:3](=[N:4]/[H:11])[H:10])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C3H6N2O/c1-4-2-5-3-6/h2-3H,1H3,(H,4,5,6)","InChI=1S/C2H6N2.CO/c1-4-2-3;1-2/h2H,1H3,(H2,3,4);",39.615190000000005,12.12208,
65,[C:1](/[N:2]=[C:3](/[N:4]([C:5](=[O:6])[H:12])[H:11])[H:10])([H:7])([H:8])[H:9],[C:1](=[N:2][C:3]([N:4]([C:5](=[O:6])[H:12])[H:11])([H:7])[H:10])([H:8])[H:9],"InChI=1S/C3H6N2O/c1-4-2-5-3-6/h2-3H,1H3,(H,4,5,6)","InChI=1S/C3H6N2O/c1-4-2-5-3-6/h3H,1-2H2,(H,5,6)",76.7656,13.14153,
66,[C:1](/[N:2]=[C:3](/[N:4]([C:5](=[O:6])[H:12])[H:11])[H:10])([H:7])([H:8])[H:9],[C:1](=[N:2][C@:3]1([H:10])[N:4]([H:11])[C@@:5]1([O:6][H:7])[H:12])([H:8])[H:9],"InChI=1S/C3H6N2O/c1-4-2-5-3-6/h2-3H,1H3,(H,4,5,6)","InChI=1S/C3H6N2O/c1-4-2-3(6)5-2/h2-3,5-6H,1H2/t2-,3-/m1/s1",81.31541999999999,38.698890000000006,
67,[C:1](/[N:2]=[C:3](/[N:4]([C:5](=[O:6])[H:12])[H:11])[H:10])([H:7])([H:8])[H:9],[C:1](/[C:3](=[N:2]/[N:4]([C:5](=[O:6])[H:12])[H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C3H6N2O/c1-4-2-5-3-6/h2-3H,1H3,(H,4,5,6)","InChI=1S/C3H6N2O/c1-2-4-5-3-6/h2-3H,1H3,(H,5,6)/b4-2+",111.78613,21.315939999999998,
68,[C:1](/[N:2]=[C:3](/[N:4]([C:5](=[O:6])[H:12])[H:11])[H:10])([H:7])([H:8])[H:9],[C-:1]([N+:2](=[C:3]([N:4]([C:5](=[O:6])[H:12])[H:11])[H:10])[H:7])([H:8])[H:9],"InChI=1S/C3H6N2O/c1-4-2-5-3-6/h2-3H,1H3,(H,4,5,6)","InChI=1S/C3H6N2O/c1-4-2-5-3-6/h2-4H,1H2,(H,5,6)",71.83873,39.45778,
69,[C:1](/[N:2]=[C:3](/[N:4]([C:5](=[O:6])[H:12])[H:11])[H:10])([H:7])([H:8])[H:9],[C-:5]#[O+:6].[C:1](=[N:2]/[C:3](=[N:4]/[H:11])[H:10])([H:8])[H:9].[H:7][H:12],"InChI=1S/C3H6N2O/c1-4-2-5-3-6/h2-3H,1H3,(H,4,5,6)","InChI=1S/C2H4N2.CO.H2/c1-4-2-3;1-2;/h2-3H,1H2;;1H/b3-2+;;",74.39319,44.50179,
70,[C:1](/[N:2]=[C:3](/[N:4]([C:5](=[O:6])[H:12])[H:11])[H:10])([H:7])([H:8])[H:9],[C:1]([N:2](/[C:3](=[N:4]/[C:5](=[O:6])[H:12])[H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C3H6N2O/c1-4-2-5-3-6/h2-3H,1H3,(H,4,5,6)","InChI=1S/C3H6N2O/c1-4-2-5-3-6/h2-3H,1H3,(H,4,5,6)",39.612359999999995,4.1434,
71,[C:1](/[N:2]=[C:3](/[N:4]([C:5](=[O:6])[H:12])[H:11])[H:10])([H:7])([H:8])[H:9],[C:1](/[N:2]=[C:3](\[O:6]/[C:5](=[N:4]/[H:11])[H:12])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C3H6N2O/c1-4-2-5-3-6/h2-3H,1H3,(H,4,5,6)","InChI=1S/C3H6N2O/c1-5-3-6-2-4/h2-4H,1H3/b4-2+,5-3-",44.80656,21.71945,ketoenol
72,[C:1](/[N:2]=[C:3](/[N:4]([C:5](=[O:6])[H:12])[H:11])[H:10])([H:7])([H:8])[H:9],[C:1]([N:4]([C:5](=[O:6])[H:12])[H:11])([H:7])([H:8])[H:9].[N:2]#[C:3][H:10],"InChI=1S/C3H6N2O/c1-4-2-5-3-6/h2-3H,1H3,(H,4,5,6)","InChI=1S/C2H5NO.CHN/c1-3-2-4;1-2/h2H,1H3,(H,3,4);1H",89.7934,15.25606,
73,[C:1](/[N:2]=[C:3](/[N:4]([C:5](=[O:6])[H:12])[H:11])[H:10])([H:7])([H:8])[H:9],[C:1](=[N+:2]=[C-:3][H:10])([H:8])[H:9].[N:4]([C:5](=[O:6])[H:12])([H:7])[H:11],"InChI=1S/C3H6N2O/c1-4-2-5-3-6/h2-3H,1H3,(H,4,5,6)","InChI=1S/C2H3N.CH3NO/c1-3-2;2-1-3/h1H,2H2;1H,(H2,2,3)",74.17824,50.20453,
74,[C:1](/[N:2]=[C:3](/[N:4]([C:5](=[O:6])[H:12])[H:11])[H:10])([H:7])([H:8])[H:9],[C:1]([N:2]1[C@:3]2([H:10])[N:4]([H:11])[C@:5]2([H:12])[O:6]1)([H:7])([H:8])[H:9],"InChI=1S/C3H6N2O/c1-4-2-5-3-6/h2-3H,1H3,(H,4,5,6)","InChI=1S/C3H6N2O/c1-5-2-3(4-2)6-5/h2-4H,1H3/t2-,3+/m0/s1",112.53025,94.66116,
75,[C:1](/[N:2]=[C:3](/[N:4]([C:5](=[O:6])[H:12])[H:11])[H:10])([H:7])([H:8])[H:9],[C:1]([N:2]=[C:3]([H:10])[H:12])([H:7])([H:8])[H:9].[N:4](=[C:5]=[O:6])[H:11],"InChI=1S/C3H6N2O/c1-4-2-5-3-6/h2-3H,1H3,(H,4,5,6)","InChI=1S/C2H5N.CHNO/c1-3-2;2-1-3/h1H2,2H3;2H",74.5813,13.85391,
76,[C:1]([O:2][C:3]([C:4]([C:5]#[N:6])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:2][C:3]([N:6]=[C:5]=[C:4]([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-6-4-2-3-5/h2,4H2,1H3","InChI=1S/C4H7NO/c1-3-5-4-6-2/h1,4H2,2H3",61.50935,21.9206,
77,[C:1]([O:2][C:3]([C:4]([C:5]#[N:6])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:2][C:3]([C:4]([N+:6]#[C-:5])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-6-4-2-3-5/h2,4H2,1H3","InChI=1S/C4H7NO/c1-5-3-4-6-2/h3-4H2,2H3",60.50639,26.715059999999998,
78,[C:1]([O:2][C:3]([C:4]([C:5]#[N:6])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:2][H:12])([H:7])([H:8])[H:9].[C:3](=[C:4]([C:5]#[N:6])[H:13])([H:10])[H:11],"InChI=1S/C4H7NO/c1-6-4-2-3-5/h2,4H2,1H3","InChI=1S/C3H3N.CH4O/c1-2-3-4;1-2/h2H,1H2;2H,1H3",51.6747,12.696480000000001,"1,3_Insertion_ROR"
79,[C:1]([O:2][C:3]([C:4]([C:5]#[N:6])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:2][C:3](=[C:4]([H:12])[H:13])[H:11])([H:7])([H:8])[H:9].[C:5](#[N:6])[H:10],"InChI=1S/C4H7NO/c1-6-4-2-3-5/h2,4H2,1H3","InChI=1S/C3H6O.CHN/c1-3-4-2;1-2/h3H,1H2,2H3;1H",75.94044,24.83902,
80,[C:1]([O:2][C:3]([C:4]([C:5]#[N:6])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([N:6]=[C:5]=[C:4]([H:12])[H:13])([H:7])([H:8])[H:9].[O:2]=[C:3]([H:10])[H:11],"InChI=1S/C4H7NO/c1-6-4-2-3-5/h2,4H2,1H3","InChI=1S/C3H5N.CH2O/c1-3-4-2;1-2/h1H2,2H3;1H2",76.26386,30.29938,
81,[C:1]([O:2][C:3]([C:4](=[O:5])[H:11])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([O:2]/[C:3](=[C:4](/[O:5][H:9])[H:11])[H:10])([H:6])([H:7])[H:8],"InChI=1S/C3H6O2/c1-5-3-2-4/h2H,3H2,1H3","InChI=1S/C3H6O2/c1-5-3-2-4/h2-4H,1H3/b3-2+",62.25638000000001,5.1436,ketoenol
82,[C:1]([O:2][C:3]([C:4](=[O:5])[H:11])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([O:2][C@@:3]1([H:10])[C:4]([H:9])([H:11])[O:5]1)([H:6])([H:7])[H:8],"InChI=1S/C3H6O2/c1-5-3-2-4/h2H,3H2,1H3","InChI=1S/C3H6O2/c1-4-3-2-5-3/h3H,2H2,1H3/t3-/m1/s1",58.73021,15.49053,
83,[C:1]([O:2][C:3]([C:4](=[O:5])[H:11])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1](=[O+:2][C:3](=[C:4]([O-:5])[H:11])[H:10])([H:6])[H:8].[H:7][H:9],"InChI=1S/C3H6O2/c1-5-3-2-4/h2H,3H2,1H3","InChI=1S/C3H4O2.H2/c1-5-3-2-4;/h2-3H,1H2;1H",59.49641999999999,55.44328,
84,[C:1]([O:2][C:3]([C:4](=[O:5])[H:11])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([O:2][C:3]([O+:5]=[C-:4][H:11])([H:9])[H:10])([H:6])([H:7])[H:8],"InChI=1S/C3H6O2/c1-5-3-2-4/h2H,3H2,1H3","InChI=1S/C3H6O2/c1-4-3-5-2/h1H,3H2,2H3",94.31783,63.497,
85,[C:1]([O:2][C:3]([C:4](=[O:5])[H:11])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([O:2][O:5][C:4](=[C:3]([H:9])[H:10])[H:11])([H:6])([H:7])[H:8],"InChI=1S/C3H6O2/c1-5-3-2-4/h2H,3H2,1H3","InChI=1S/C3H6O2/c1-3-5-4-2/h3H,1H2,2H3",78.02234,57.39122,ketoenol
86,[C:1]([O:2][C:3]([C:4](=[O:5])[H:11])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1](=[O:2])([H:6])[H:8].[C:3](=[C:4]([O:5][H:7])[H:11])([H:9])[H:10],"InChI=1S/C3H6O2/c1-5-3-2-4/h2H,3H2,1H3","InChI=1S/C2H4O.CH2O/c1-2-3;1-2/h2-3H,1H2;1H2",43.99034,9.25934,Retroene
87,[C:1]([O:2][C:3]([C:4](=[O:5])[H:11])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([O:2][H:11])([H:6])([H:7])[H:8].[C:3](=[C:4]=[O:5])([H:9])[H:10],"InChI=1S/C3H6O2/c1-5-3-2-4/h2H,3H2,1H3","InChI=1S/C2H2O.CH4O/c1-2-3;1-2/h1H2;2H,1H3",71.4545,5.1919900000000005,"1,3_Insertion_ROR"
88,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4]([C:5]#[N:6])([H:14])[H:15])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4]([N+:6]#[C-:5])([H:14])[H:15])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H9N/c1-5(2)3-4-6/h5H,3H2,1-2H3","InChI=1S/C5H9N/c1-5(2)4-6-3/h5H,4H2,1-2H3",59.67224,26.01183,
89,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4]([C:5]#[N:6])([H:14])[H:15])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([N:6]=[C:5]=[C:4]([H:14])[H:15])([H:11])[H:13])([H:10])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C5H9N/c1-5(2)3-4-6/h5H,3H2,1-2H3","InChI=1S/C5H9N/c1-3-5-6-4-2/h2-3,5H2,1H3",87.89587,25.9809,
90,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4]([C:5]#[N:6])([H:14])[H:15])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]([H:11])[H:12])[H:10])([H:7])([H:8])[H:9].[C:4](=[C:5]=[N:6][H:13])([H:14])[H:15],"InChI=1S/C5H9N/c1-5(2)3-4-6/h5H,3H2,1-2H3","InChI=1S/C3H6.C2H3N/c1-3-2;1-2-3/h3H,1H2,2H3;3H,1H2",55.03584,41.67805,Retroene
91,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4]([C:5]#[N:6])([H:14])[H:15])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4](=[C:5]=[N:6][H:15])[H:14])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H9N/c1-5(2)3-4-6/h5H,3H2,1-2H3","InChI=1S/C5H9N/c1-5(2)3-4-6/h3,5-6H,1-2H3",83.6267,20.63185,
92,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4]([C:5]#[N:6])([H:14])[H:15])[H:10])([H:7])([H:8])[H:9],[C:1](/[C:2](=[C:4](\[C:5]#[N:6])[H:14])[H:15])([H:7])([H:8])[H:9].[C:3]([H:10])([H:11])([H:12])[H:13],"InChI=1S/C5H9N/c1-5(2)3-4-6/h5H,3H2,1-2H3","InChI=1S/C4H5N.CH4/c1-2-3-4-5;/h2-3H,1H3;1H4/b3-2-;",112.0363,13.857870000000002,
93,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4]([C:5]#[N:6])([H:14])[H:15])[H:10])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[N:6]([H:13])[C:5][C:4]1([H:14])[H:15])([H:7])([H:8])[H:9],"InChI=1S/C5H9N/c1-5(2)3-4-6/h5H,3H2,1-2H3","InChI=1S/C5H9N/c1-5-2-3-6-4-5/h5-6H,2,4H2,1H3/t5-/m1/s1",83.17322,47.777159999999995,
94,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4]([C:5]#[N:6])([H:14])[H:15])[H:10])([H:7])([H:8])[H:9],[C:1]1([H:7])([H:8])[C:2]([C:3]([H:11])([H:12])[H:13])([H:10])[C:4]1([H:14])[H:15].[C:5](#[N:6])[H:9],"InChI=1S/C5H9N/c1-5(2)3-4-6/h5H,3H2,1-2H3","InChI=1S/C4H8.CHN/c1-4-2-3-4;1-2/h4H,2-3H2,1H3;1H",88.26814,37.144040000000004,
95,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4]([C:5]#[N:6])([H:14])[H:15])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])=[C:4]([C:5]#[N:6])[H:14])([H:7])([H:8])[H:9].[H:10][H:15],"InChI=1S/C5H9N/c1-5(2)3-4-6/h5H,3H2,1-2H3","InChI=1S/C5H7N.H2/c1-5(2)3-4-6;/h3H,1-2H3;1H",93.36310999999999,22.67778,
96,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4]([C:5]#[N:6])([H:14])[H:15])[H:10])([H:7])([H:8])[H:9],[C:1]([C@:2]1([H:10])[C:5]([C:4]([C:3]([H:11])([H:12])[H:13])([H:14])[H:15])=[N:6]1)([H:7])([H:8])[H:9],"InChI=1S/C5H9N/c1-5(2)3-4-6/h5H,3H2,1-2H3","InChI=1S/C5H9N/c1-3-5-4(2)6-5/h4H,3H2,1-2H3/t4-/m1/s1",138.20301,35.791340000000005,
97,[C:1]([C:2]([C:3]([C:4](=[O:5])[H:13])([H:11])[H:12])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([C:2]([C:3]([O+:5]=[C-:4][H:13])([H:11])[H:12])([H:9])[H:10])([H:6])([H:7])[H:8],"InChI=1S/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H3","InChI=1S/C4H8O/c1-3-4-5-2/h2H,3-4H2,1H3",110.62102,68.09846999999999,
98,[C:1]([C:2]([C:3]([C:4](=[O:5])[H:13])([H:11])[H:12])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([C:2]([O:5][C:4](=[C:3]([H:11])[H:12])[H:13])([H:9])[H:10])([H:6])([H:7])[H:8],"InChI=1S/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H3","InChI=1S/C4H8O/c1-3-5-4-2/h3H,1,4H2,2H3",76.11555,15.767879999999998,ketoenol
99,[C:1]([C:2]([C:3]([C:4](=[O:5])[H:13])([H:11])[H:12])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([C:2](=[C:3]([H:11])[H:12])[H:10])([H:6])([H:7])[H:8].[C:4](=[O:5])([H:9])[H:13],"InChI=1S/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H3","InChI=1S/C3H6.CH2O/c1-3-2;1-2/h3H,1H2,2H3;1H2",67.01784,28.64163,
100,[C:1]([C:2]([C:3]([C:4](=[O:5])[H:13])([H:11])[H:12])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1](=[C:2]([H:9])[H:10])([H:6])[H:8].[C:3](=[C:4]([O:5][H:7])[H:13])([H:11])[H:12],"InChI=1S/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H3","InChI=1S/C2H4O.C2H4/c1-2-3;1-2/h2-3H,1H2;1-2H2",49.028940000000006,29.894009999999998,Retroene
101,[C:1]([C:2]([C:3]([C:4](=[O:5])[H:13])([H:11])[H:12])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([H:6])([H:7])([H:8])[H:11].[C:2](=[C:3]([C:4](=[O:5])[H:13])[H:12])([H:9])[H:10],"InChI=1S/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H3","InChI=1S/C3H4O.CH4/c1-2-3-4;/h2-3H,1H2;1H4",88.19082,16.50151,
102,[C:1]([C:2]([C:3]([C:4](=[O:5])[H:13])([H:11])[H:12])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([C:2](/[C:3](=[C:4](\[O:5][H:11])[H:13])[H:12])([H:9])[H:10])([H:6])([H:7])[H:8],"InChI=1S/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H3","InChI=1S/C4H8O/c1-2-3-4-5/h3-5H,2H2,1H3/b4-3-",67.19755,5.79411,ketoenol
103,[C:1]([C:2]([C:3]([C:4](=[O:5])[H:13])([H:11])[H:12])([H:9])[H:10])([H:6])([H:7])[H:8],[C-:4]#[O+:5].[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([H:9])[H:10])([H:6])([H:7])[H:8],"InChI=1S/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H3","InChI=1S/C3H8.CO/c1-3-2;1-2/h3H2,1-2H3;",77.20222,-1.72806,"1,2_Insertion_CO"
104,[C:1]([C:2]([C:3]([C:4](=[O:5])[H:13])([H:11])[H:12])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([C:2]([H:9])([H:10])[H:11])([H:6])([H:7])[H:8].[C:3](=[C:4]=[O:5])([H:12])[H:13],"InChI=1S/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H3",InChI=1S/C2H2O.C2H6/c1-2-3;1-2/h1H2;1-2H3,76.37997,14.58515,
105,[C:1]([C:2]([C:3]([C:4](=[O:5])[H:13])([H:11])[H:12])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]1([O:5][H:9])[H:13])([H:6])([H:7])[H:8],"InChI=1S/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H3","InChI=1S/C4H8O/c1-3-2-4(3)5/h3-5H,2H2,1H3/t3-,4+/m0/s1",79.53582,18.36683,
106,[N:1]([c:2]1[c:3]([H:9])[n:4]([H:10])[c:5]([H:11])[n:6]1)([H:7])[H:8],[N:1]([C:2]1=[N:6][C:5]([H:11])=[N:4][C:3]1([H:9])[H:10])([H:7])[H:8],"InChI=1S/C3H5N3/c4-3-1-5-2-6-3/h1-2H,4H2,(H,5,6)","InChI=1S/C3H5N3/c4-3-1-5-2-6-3/h2H,1H2,(H2,4,5,6)",41.69377,4.783,
107,[N:1]([c:2]1[c:3]([H:9])[n:4]([H:10])[c:5]([H:11])[n:6]1)([H:7])[H:8],[N:1]([C:2]1=[N:6][C:5]([H:10])([H:11])[N:4]=[C:3]1[H:9])([H:7])[H:8],"InChI=1S/C3H5N3/c4-3-1-5-2-6-3/h1-2H,4H2,(H,5,6)","InChI=1S/C3H5N3/c4-3-1-5-2-6-3/h1H,2H2,(H2,4,6)",39.32224,7.546710000000001,
108,[N:1]([c:2]1[c:3]([H:9])[n:4]([H:10])[c:5]([H:11])[n:6]1)([H:7])[H:8],[N:1]([C@@:2]1(/[C:3](=[N:4]/[H:10])[H:9])[C:5]([H:11])=[N:6]1)([H:7])[H:8],"InChI=1S/C3H5N3/c4-3-1-5-2-6-3/h1-2H,4H2,(H,5,6)","InChI=1S/C3H5N3/c4-1-3(5)2-6-3/h1-2,4H,5H2/b4-1+/t3-/m1/s1",90.14806,54.71349,
109,[N:1]([c:2]1[c:3]([H:9])[n:4]([H:10])[c:5]([H:11])[n:6]1)([H:7])[H:8],[H:7][H:8].[N-:1]=[C:2]1[C:3]([H:9])=[N+:4]([H:10])[C:5]([H:11])=[N:6]1,"InChI=1S/C3H5N3/c4-3-1-5-2-6-3/h1-2H,4H2,(H,5,6)",InChI=1S/C3H2N3.H2/c4-3-1-5-2-6-3;/h1-2H;1H/q-1;/p+1,86.01914000000001,87.72012,
110,[N:1]([c:2]1[c:3]([H:9])[n:4]([H:10])[c:5]([H:11])[n:6]1)([H:7])[H:8],[N:1]([C:2]1=[C:3]([H:9])[N:4]([H:10])[C:5][N:6]1[H:11])([H:7])[H:8],"InChI=1S/C3H5N3/c4-3-1-5-2-6-3/h1-2H,4H2,(H,5,6)","InChI=1S/C3H5N3/c4-3-1-5-2-6-3/h1,5-6H,4H2",67.6499,35.97316,
111,[N:1]([c:2]1[c:3]([H:9])[n:4]([H:10])[c:5]([H:11])[n:6]1)([H:7])[H:8],[N:1](=[C:2]1[C-:3]([H:9])[N+:4]([H:8])([H:10])[C:5]([H:11])=[N:6]1)[H:7],"InChI=1S/C3H5N3/c4-3-1-5-2-6-3/h1-2H,4H2,(H,5,6)","InChI=1S/C3H5N3/c4-3-1-5-2-6-3/h1-2,4H,5H2",108.59925,70.98938000000001,
112,[N:1]([c:2]1[c:3]([H:9])[n:4]([H:10])[c:5]([H:11])[n:6]1)([H:7])[H:8],[N-:1]([c:2]1[c:3]([H:9])[n:4]([H:10])[c+:5]([H:11])[n:6]1[H:7])[H:8],"InChI=1S/C3H5N3/c4-3-1-5-2-6-3/h1-2H,4H2,(H,5,6)","InChI=1S/C3H5N3/c4-3-1-5-2-6-3/h1-2,4-6H",55.21521,29.85753,
113,[N:1]([c:2]1[c:3]([H:9])[n:4]([H:10])[c:5]([H:11])[n:6]1)([H:7])[H:8],[C:5](#[N:6])[H:11].[N:1]([C:2]/[C:3](=[N:4]/[H:10])[H:9])([H:7])[H:8],"InChI=1S/C3H5N3/c4-3-1-5-2-6-3/h1-2H,4H2,(H,5,6)","InChI=1S/C2H4N2.CHN/c3-1-2-4;1-2/h1,3H,4H2;1H/b3-1+;",74.90404000000001,78.01046,
114,[N:1]([c:2]1[c:3]([H:9])[n:4]([H:10])[c:5]([H:11])[n:6]1)([H:7])[H:8],[N:1]([C@:2]1([H:9])[C-:3]=[N+:4]([H:10])[C:5]([H:11])=[N:6]1)([H:7])[H:8],"InChI=1S/C3H5N3/c4-3-1-5-2-6-3/h1-2H,4H2,(H,5,6)","InChI=1S/C3H5N3/c4-3-1-5-2-6-3/h2-3,5H,4H2/t3-/m0/s1",62.72594,58.75249,Singlet_Carbene_Intra_Disproportionation
115,[N:1]([c:2]1[c:3]([H:9])[n:4]([H:10])[c:5]([H:11])[n:6]1)([H:7])[H:8],[N:1]([C:2]#[N+:6][C-:5]([N+:4](=[C-:3][H:9])[H:10])[H:11])([H:7])[H:8],"InChI=1S/C3H5N3/c4-3-1-5-2-6-3/h1-2H,4H2,(H,5,6)","InChI=1S/C3H5N3/c1-5-3-6-2-4/h1,3,5H,4H2",86.12069,90.79524,
116,[N:1]([c:2]1[c:3]([H:9])[n:4]([H:10])[c:5]([H:11])[n:6]1)([H:7])[H:8],[N:1](=[C:2]1/[C:3]([H:8])([H:9])[N:4]([H:10])[C:5]([H:11])=[N:6]1)\[H:7],"InChI=1S/C3H5N3/c4-3-1-5-2-6-3/h1-2H,4H2,(H,5,6)","InChI=1S/C3H5N3/c4-3-1-5-2-6-3/h2H,1H2,(H2,4,5,6)",67.18033,7.5716,
117,[N:1]([c:2]1[c:3]([H:9])[n:4]([H:10])[c:5]([H:11])[n:6]1)([H:7])[H:8],[N:1]([C:3](=[C:2]=[N:6][C:5](=[N:4][H:10])[H:11])[H:9])([H:7])[H:8],"InChI=1S/C3H5N3/c4-3-1-5-2-6-3/h1-2H,4H2,(H,5,6)","InChI=1S/C3H5N3/c4-1-2-6-3-5/h1,3,5H,4H2",83.44226,43.86309,
118,[N:1]([c:2]1[c:3]([H:9])[n:4]([H:10])[c:5]([H:11])[n:6]1)([H:7])[H:8],[N:1]([C:2](/[C:3](=[N:4]/[H:10])[H:9])=[N+:6]=[C-:5][H:11])([H:7])[H:8],"InChI=1S/C3H5N3/c4-3-1-5-2-6-3/h1-2H,4H2,(H,5,6)","InChI=1S/C3H5N3/c1-6-3(5)2-4/h1-2,4H,5H2/b4-2+",56.7812,57.554359999999996,
119,[N:1]([c:2]1[c:3]([H:9])[n:4]([H:10])[c:5]([H:11])[n:6]1)([H:7])[H:8],[N:1]([C:2]1=[C:3]([H:9])[N:6]1/[C:5](=[N:4]/[H:10])[H:11])([H:7])[H:8],"InChI=1S/C3H5N3/c4-3-1-5-2-6-3/h1-2H,4H2,(H,5,6)","InChI=1S/C3H5N3/c4-2-6-1-3(6)5/h1-2,4H,5H2/b4-2+",85.01184,82.89672,
120,[N:1]([c:2]1[c:3]([H:9])[n:4]([H:10])[c:5]([H:11])[n:6]1)([H:7])[H:8],[N+:1]([c:2]1[c-:3][n:4]([H:10])[c:5]([H:11])[n:6]1)([H:7])([H:8])[H:9],"InChI=1S/C3H5N3/c4-3-1-5-2-6-3/h1-2H,4H2,(H,5,6)","InChI=1S/C3H4N3/c4-3-1-5-2-6-3/h2H,4H2,(H,5,6)/q-1/p+1",71.53146,64.925,
121,[C:1]1([H:7])([H:8])[C@:2]2([H:9])[C@:3]3([H:10])[C:4]([H:11])([H:12])[C@@:5]1([H:13])[N:6]23,[C:1]1([H:7])([H:8])[C@:2]([C:3](=[C:4]([H:11])[H:12])[H:10])([H:9])[N:6]=[C:5]1[H:13],"InChI=1S/C5H7N/c1-3-2-5-4(1)6(3)5/h3-5H,1-2H2/t3-,4+,5-,6?","InChI=1S/C5H7N/c1-2-5-3-4-6-5/h2,4-5H,1,3H2/t5-/m1/s1",44.13045,-19.841089999999998,
122,[C:1]1([H:7])([H:8])[C@:2]2([H:9])[C@:3]3([H:10])[C:4]([H:11])([H:12])[C@@:5]1([H:13])[N:6]23,[C:1]([C@@:2]1([H:9])[C@@:3]2([H:10])[C:4]([H:11])([H:12])[C:5]([H:8])([H:13])[N:6]12)[H:7],"InChI=1S/C5H7N/c1-3-2-5-4(1)6(3)5/h3-5H,1-2H2/t3-,4+,5-,6?","InChI=1S/C5H7N/c1-4-5-2-3-6(4)5/h1,4-5H,2-3H2/t4-,5+,6?/m0/s1",85.32659,70.5934,
123,[C:1]1([H:7])([H:8])[C@:2]2([H:9])[C@:3]3([H:10])[C:4]([H:11])([H:12])[C@@:5]1([H:13])[N:6]23,[C:1]1([H:7])([H:8])[C:2][C@@:3]2([H:10])[C:4]([H:11])([H:12])[C@:5]1([H:13])[N:6]2[H:9],"InChI=1S/C5H7N/c1-3-2-5-4(1)6(3)5/h3-5H,1-2H2/t3-,4+,5-,6?","InChI=1S/C5H7N/c1-2-5-3-4(1)6-5/h4-6H,1,3H2/t4-,5+/m1/s1",55.38803000000001,51.880829999999996,
124,[C:1]1([H:7])([H:8])[C@:2]2([H:9])[C@:3]3([H:10])[C:4]([H:11])([H:12])[C@@:5]1([H:13])[N:6]23,[C:1]1([H:7])([H:8])[C@:2]2([H:9])[C@@:3]3([H:10])[C@:4]2([H:11])[C@:5]1([H:13])[N:6]3[H:12],"InChI=1S/C5H7N/c1-3-2-5-4(1)6(3)5/h3-5H,1-2H2/t3-,4+,5-,6?","InChI=1S/C5H7N/c1-2-4-3(1)6-5(2)4/h2-6H,1H2/t2-,3+,4-,5-/m0/s1",77.48040999999999,10.4096,
125,[C:1]1([H:7])([H:8])[C@:2]2([H:9])[C@:3]3([H:10])[C:4]([H:11])([H:12])[C@@:5]1([H:13])[N:6]23,[C:1]([C@:5]1([H:13])[C:4]([H:11])([H:12])[C@:3]2([H:10])[C:2]([H:7])([H:9])[N:6]21)[H:8],"InChI=1S/C5H7N/c1-3-2-5-4(1)6(3)5/h3-5H,1-2H2/t3-,4+,5-,6?","InChI=1S/C5H7N/c1-4-2-5-3-6(4)5/h1,4-5H,2-3H2/t4-,5-,6?/m1/s1",81.10513,74.02599000000001,
126,[C:1]1([H:7])([H:8])[C@:2]2([H:9])[C@:3]3([H:10])[C:4]([H:11])([H:12])[C@@:5]1([H:13])[N:6]23,[C:1]([C:2][H:9])([C@:5]1([H:13])[C:4]([H:11])([H:12])[C:3]([H:10])=[N:6]1)([H:7])[H:8],"InChI=1S/C5H7N/c1-3-2-5-4(1)6(3)5/h3-5H,1-2H2/t3-,4+,5-,6?","InChI=1S/C5H7N/c1-2-5-3-4-6-5/h1,4-5H,2-3H2/t5-/m1/s1",61.62773000000001,62.95446999999999,
127,[C:1]1([H:7])([H:8])[C@:2]2([H:9])[C@:3]3([H:10])[C:4]([H:11])([H:12])[C@@:5]1([H:13])[N:6]23,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@@:3]([H:10])([C:4]([H:11])([H:12])[C:5]1)[N:6]2[H:13],"InChI=1S/C5H7N/c1-3-2-5-4(1)6(3)5/h3-5H,1-2H2/t3-,4+,5-,6?","InChI=1S/C5H7N/c1-2-4-5(3-1)6-4/h4-6H,2-3H2/t4-,5+",62.00855,42.56143,
128,[C:1]1([H:7])([H:8])[C@:2]2([H:9])[C@:3]3([H:10])[C:4]([H:11])([H:12])[C@@:5]1([H:13])[N:6]23,[C:1](=[C:5]([C:4]([C@:3]1([H:10])[C:2]([H:9])=[N:6]1)([H:11])[H:12])[H:13])([H:7])[H:8],"InChI=1S/C5H7N/c1-3-2-5-4(1)6(3)5/h3-5H,1-2H2/t3-,4+,5-,6?","InChI=1S/C5H7N/c1-2-3-5-4-6-5/h2,4-5H,1,3H2/t5-/m1/s1",67.16598,-6.96405,
129,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@:3]1([H:10])[C@@:4]1([H:11])[N:5]([H:12])[C@@:6]21[H:13],[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@:3]1([H:10])[C:4]([H:11])([H:13])[N:5]([H:12])[C:6]2,"InChI=1S/C5H7N/c1-2-3(1)5-4(2)6-5/h2-6H,1H2/t2-,3+,4-,5+","InChI=1S/C5H7N/c1-4-2-6-3-5(1)4/h4-6H,1-2H2/t4-,5+/m0/s1",55.12404,-15.00305,
130,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@:3]1([H:10])[C@@:4]1([H:11])[N:5]([H:12])[C@@:6]21[H:13],[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@:3]1([H:10])[C:4]([H:11])=[N:5][C:6]2([H:12])[H:13],"InChI=1S/C5H7N/c1-2-3(1)5-4(2)6-5/h2-6H,1H2/t2-,3+,4-,5+","InChI=1S/C5H7N/c1-4-2-6-3-5(1)4/h2,4-5H,1,3H2/t4-,5+/m0/s1",50.81584,-52.7042,
131,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@:3]1([H:10])[C@@:4]1([H:11])[N:5]([H:12])[C@@:6]21[H:13],[C:1](=[C:3]([C@@:4]1([H:11])[N:5]([H:12])[C@:6]1([C:2][H:9])[H:13])[H:10])([H:7])[H:8],"InChI=1S/C5H7N/c1-2-3(1)5-4(2)6-5/h2-6H,1H2/t2-,3+,4-,5+","InChI=1S/C5H7N/c1-3-5-4(2)6-5/h2-6H,1H2/t4-,5+/m0/s1",49.73762,41.52215,
132,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@:3]1([H:10])[C@@:4]1([H:11])[N:5]([H:12])[C@@:6]21[H:13],[C:1]1([H:7])=[C:3]([H:10])[C:4]([H:8])([H:11])[N:5]([H:12])[C:6]([H:13])=[C:2]1[H:9],"InChI=1S/C5H7N/c1-2-3(1)5-4(2)6-5/h2-6H,1H2/t2-,3+,4-,5+","InChI=1S/C5H7N/c1-2-4-6-5-3-1/h1-4,6H,5H2",78.62464,-61.65936,
133,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@:3]1([H:10])[C@@:4]1([H:11])[N:5]([H:12])[C@@:6]21[H:13],[C:1]1([H:7])([H:8])[C:2][C@@:6]2([H:13])[C@@:4]([H:11])([C:3]1([H:9])[H:10])[N:5]2[H:12],"InChI=1S/C5H7N/c1-2-3(1)5-4(2)6-5/h2-6H,1H2/t2-,3+,4-,5+","InChI=1S/C5H7N/c1-2-4-5(3-1)6-4/h4-6H,1-2H2/t4-,5+/m1/s1",52.98571999999999,23.156679999999998,
134,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@:3]1([H:10])[C@@:4]1([H:11])[N:5]([H:12])[C@@:6]21[H:13],[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@:3]1([H:10])[C@:4]2([N:5]([C:6][H:13])[H:12])[H:11],"InChI=1S/C5H7N/c1-2-3(1)5-4(2)6-5/h2-6H,1H2/t2-,3+,4-,5+","InChI=1S/C5H7N/c1-6-5-3-2-4(3)5/h1,3-6H,2H2/t3-,4+,5-",56.67095,24.98317,
135,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@:3]1([H:10])[C@@:4]1([H:11])[N:5]([H:12])[C@@:6]21[H:13],[C:1]1([H:7])([H:8])[C:2]([H:9])=[C:6]([H:13])[C@@:4]2([H:11])[C@:3]1([H:10])[N:5]2[H:12],"InChI=1S/C5H7N/c1-2-3(1)5-4(2)6-5/h2-6H,1H2/t2-,3+,4-,5+","InChI=1S/C5H7N/c1-2-4-5(3-1)6-4/h1-2,4-6H,3H2/t4-,5+/m0/s1",37.08445,-45.12661,
136,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@:3]1([H:10])[C@@:4]1([H:11])[N:5]([H:12])[C@@:6]21[H:13],[C:1]1([H:7])([H:8])[C:2]([C@@:6]2([H:13])[C:4][N:5]2[H:12])([H:9])[C:3]1([H:10])[H:11],"InChI=1S/C5H7N/c1-2-3(1)5-4(2)6-5/h2-6H,1H2/t2-,3+,4-,5+","InChI=1S/C5H7N/c1-2-4(1)5-3-6-5/h4-6H,1-2H2/t5-/m1/s1",47.74563,17.337220000000002,
137,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@:3]1([H:10])[C@@:4]1([H:11])[N:5]([H:12])[C@@:6]21[H:13],[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@:3]1([H:10])[C@:6]2(/[C:4](=[N:5]/[H:12])[H:11])[H:13],"InChI=1S/C5H7N/c1-2-3(1)5-4(2)6-5/h2-6H,1H2/t2-,3+,4-,5+","InChI=1S/C5H7N/c6-2-5-3-1-4(3)5/h2-6H,1H2/b6-2+/t3-,4+,5-",43.71027,-22.20825,
138,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@:3]1([H:10])[C@@:4]1([H:11])[N:5]([H:12])[C@@:6]21[H:13],[C:1]([C@:3]1([H:10])[C:2]([H:9])=[C:6]([H:13])[N:5]=[C:4]1[H:11])([H:7])([H:8])[H:12],"InChI=1S/C5H7N/c1-2-3(1)5-4(2)6-5/h2-6H,1H2/t2-,3+,4-,5+","InChI=1S/C5H7N/c1-5-2-3-6-4-5/h2-5H,1H3/t5-/m1/s1",50.34199,-62.07261,
139,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@:3]1([H:10])[C@@:4]1([H:11])[N:5]([H:12])[C@@:6]21[H:13],[C:1]([C@@:2]1([H:9])[C@@:3]2([H:10])[C:4]([H:11])=[N:5][C@@:6]12[H:13])([H:7])([H:8])[H:12],"InChI=1S/C5H7N/c1-2-3(1)5-4(2)6-5/h2-6H,1H2/t2-,3+,4-,5+","InChI=1S/C5H7N/c1-3-4-2-6-5(3)4/h2-5H,1H3/t3-,4+,5-/m0/s1",50.75307,-16.852529999999998,
140,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@:3]1([H:10])[C@@:4]1([H:11])[N:5]([H:12])[C@@:6]21[H:13],[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@:3]1([H:10])[N+:5]1([H:12])[C-:4]([H:11])[C@:6]21[H:13],"InChI=1S/C5H7N/c1-2-3(1)5-4(2)6-5/h2-6H,1H2/t2-,3+,4-,5+","InChI=1S/C5H7N/c1-3-4(1)6-2-5(3)6/h2-6H,1H2/t3-,4+,5+/m0/s1",99.50509,45.18715,
141,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@:3]1([H:10])[C@@:4]1([H:11])[N:5]([H:12])[C@@:6]21[H:13],[C:1](=[C:2](/[C:3](=[C:4]([C:6](=[N:5]/[H:12])\[H:13])/[H:11])[H:10])[H:9])([H:7])[H:8],"InChI=1S/C5H7N/c1-2-3(1)5-4(2)6-5/h2-6H,1H2/t2-,3+,4-,5+","InChI=1S/C5H7N/c1-2-3-4-5-6/h2-6H,1H2/b4-3-,6-5-",42.47437,-52.33955,
142,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@:3]1([H:10])[C@@:4]1([H:11])[N:5]([H:12])[C@@:6]21[H:13],[C:1]1([H:7])([H:8])[C:2](=[C:6]([H:9])[H:13])[C@@:3]1(/[C:4](=[N:5]\[H:12])[H:11])[H:10],"InChI=1S/C5H7N/c1-2-3(1)5-4(2)6-5/h2-6H,1H2/t2-,3+,4-,5+","InChI=1S/C5H7N/c1-4-2-5(4)3-6/h3,5-6H,1-2H2/b6-3-/t5-/m0/s1",86.3051,-33.44019,
143,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@:3]1([H:10])[C@@:4]1([H:11])[N:5]([H:12])[C@@:6]21[H:13],[C:1]1([H:7])([H:8])[C:2]([H:9])=[C:6]([H:13])[N:5]([H:12])[C:4]([H:11])=[C:3]1[H:10],"InChI=1S/C5H7N/c1-2-3(1)5-4(2)6-5/h2-6H,1H2/t2-,3+,4-,5+","InChI=1S/C5H7N/c1-2-4-6-5-3-1/h2-6H,1H2",39.93352,-63.88714,
144,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@:3]1([H:10])[C@@:4]1([H:11])[N:5]([H:12])[C@@:6]21[H:13],[C:1]([C@@:2]1([H:9])[C:3]([H:7])([H:10])[C@@:4]2([H:11])[N:5]([H:12])[C@@:6]12[H:13])[H:8],"InChI=1S/C5H7N/c1-2-3(1)5-4(2)6-5/h2-6H,1H2/t2-,3+,4-,5+","InChI=1S/C5H7N/c1-3-2-4-5(3)6-4/h1,3-6H,2H2/t3-,4+,5-/m0/s1",59.25318000000001,54.71638000000001,
145,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@:3]1([H:10])[C@@:4]1([H:11])[N:5]([H:12])[C@@:6]21[H:13],[C:1]1([H:7])=[C:2]([H:9])[C:3]1([C@@:4]1([H:11])[N:5]=[C:6]1[H:13])[H:10].[H:8][H:12],"InChI=1S/C5H7N/c1-2-3(1)5-4(2)6-5/h2-6H,1H2/t2-,3+,4-,5+",InChI=1S/C5H5N.H2/c1-2-4(1)5-3-6-5;/h1-5H;1H/t5-;/m0./s1,61.86703000000001,37.40915,
146,[O:1]=[c:2]1[o:3][c:4]([H:7])[c:5]([H:8])[o:6]1,[O+:1]1=[C-:2][O:3][C:4]1([C:5](=[O:6])[H:8])[H:7],InChI=1S/C3H2O3/c4-3-5-1-2-6-3/h1-2H,"InChI=1S/C3H2O3/c4-1-3-5-2-6-3/h1,3H",89.7117,73.1825,
147,[O:1]=[c:2]1[o:3][c:4]([H:7])[c:5]([H:8])[o:6]1,[O+:1]#[C-:2].[O:3]=[C:4]([C:5](=[O:6])[H:8])[H:7],InChI=1S/C3H2O3/c4-3-5-1-2-6-3/h1-2H,InChI=1S/C2H2O2.CO/c3-1-2-4;1-2/h1-2H;,48.93179,24.357879999999998,
148,[O:1]=[c:2]1[o:3][c:4]([H:7])[c:5]([H:8])[o:6]1,[O:1]=[C:2]1[O+:3]=[C-:4][C:5]([H:7])([H:8])[O:6]1,InChI=1S/C3H2O3/c4-3-5-1-2-6-3/h1-2H,InChI=1S/C3H2O3/c4-3-5-1-2-6-3/h1H2,60.47484,45.5617,Singlet_Carbene_Intra_Disproportionation
149,[O:1]=[c:2]1[o:3][c:4]([H:7])[c:5]([H:8])[o:6]1,[O:1]=[C:2]1[C@:5]([C:4](=[O:3])[H:7])([H:8])[O:6]1,InChI=1S/C3H2O3/c4-3-5-1-2-6-3/h1-2H,InChI=1S/C3H2O3/c4-1-2-3(5)6-2/h1-2H/t2-/m1/s1,55.443180000000005,28.36764,ketoenol
150,[O:1]=[c:2]1[o:3][c:4]([H:7])[c:5]([H:8])[o:6]1,[C:4](=[C:5]=[O:6])([H:7])[H:8].[O:1]=[C:2]=[O:3],InChI=1S/C3H2O3/c4-3-5-1-2-6-3/h1-2H,InChI=1S/C2H2O.CO2/c1-2-3;2-1-3/h1H2;,51.71054,-12.95272,
151,[O:1]=[c:2]1[o:3][c:4]([H:7])[c:5]([H:8])[o:6]1,[O:1]=[C:2]([O:3][H:7])[O:6][C:5](=[C:4])[H:8],InChI=1S/C3H2O3/c4-3-5-1-2-6-3/h1-2H,"InChI=1S/C3H2O3/c1-2-6-3(4)5/h2H,(H,4,5)",87.0884,79.73968,
152,[O:1]=[c:2]1[o:3][c:4]([H:7])[c:5]([H:8])[o:6]1,[O:1]([c:2]1[o+:3][c-:4][c:5]([H:8])[o:6]1)[H:7],InChI=1S/C3H2O3/c4-3-5-1-2-6-3/h1-2H,"InChI=1S/C3H2O3/c4-3-5-1-2-6-3/h1,4H",141.22243,62.99875,
153,[N:1](=[C:2]1/[C:3]([H:8])([H:9])[O:4][C:5]([H:10])([H:11])[O:6]1)\[H:7],[C:5](=[O:6])([H:10])[H:11].[N:1](=[C:2](/[C:3](=[O:4])[H:8])[H:9])\[H:7],"InChI=1S/C3H5NO2/c4-3-1-5-2-6-3/h4H,1-2H2/b4-3-",InChI=1S/C2H3NO.CH2O/c3-1-2-4;1-2/h1-3H;1H2/b3-1+;,70.18945,29.61141,
154,[N:1](=[C:2]1/[C:3]([H:8])([H:9])[O:4][C:5]([H:10])([H:11])[O:6]1)\[H:7],[N:1](=[C:2](/[C:3]([O:4][C:5](=[O:6])[H:11])([H:8])[H:9])[H:10])\[H:7],"InChI=1S/C3H5NO2/c4-3-1-5-2-6-3/h4H,1-2H2/b4-3-","InChI=1S/C3H5NO2/c4-1-2-6-3-5/h1,3-4H,2H2/b4-1+",67.61355999999999,-3.72511,
155,[N:1](=[C:2]1/[C:3]([H:8])([H:9])[O:4][C:5]([H:10])([H:11])[O:6]1)\[H:7],[N:1]1([H:7])[C:2](=[O:6])[C:3]([H:8])([H:9])[O:4][C:5]1([H:10])[H:11],"InChI=1S/C3H5NO2/c4-3-1-5-2-6-3/h4H,1-2H2/b4-3-","InChI=1S/C3H5NO2/c5-3-1-6-2-4-3/h1-2H2,(H,4,5)",51.9607,-11.50643,ketoenol
156,[N:1](=[C:2]1/[C:3]([H:8])([H:9])[O:4][C:5]([H:10])([H:11])[O:6]1)\[H:7],[N:1](=[C:2](/[C:3]([O+:4]=[C-:5][H:11])([H:8])[H:9])[O:6][H:10])\[H:7],"InChI=1S/C3H5NO2/c4-3-1-5-2-6-3/h4H,1-2H2/b4-3-","InChI=1S/C3H5NO2/c1-6-2-3(4)5/h1H,2H2,(H2,4,5)",72.3227,59.8171,
157,[N:1](=[C:2]1/[C:3]([H:8])([H:9])[O:4][C:5]([H:10])([H:11])[O:6]1)\[H:7],[C-:3]([O+:4]=[C:5]([H:10])[H:11])([H:8])[H:9].[N:1](=[C:2]=[O:6])[H:7],"InChI=1S/C3H5NO2/c4-3-1-5-2-6-3/h4H,1-2H2/b4-3-",InChI=1S/C2H4O.CHNO/c1-3-2;2-1-3/h1-2H2;2H,50.48152,54.26803,
158,[N:1](=[C:2]1/[C:3]([H:8])([H:9])[O:4][C:5]([H:10])([H:11])[O:6]1)\[H:7],[N:1](=[C:2](/[C:3]([O:4][H:11])([H:8])[H:9])[O+:6]=[C-:5][H:10])\[H:7],"InChI=1S/C3H5NO2/c4-3-1-5-2-6-3/h4H,1-2H2/b4-3-","InChI=1S/C3H5NO2/c1-6-3(4)2-5/h1,4-5H,2H2/b4-3-",66.38723,64.04345,
159,[N:1](=[C:2]1/[C:3]([H:8])([H:9])[O:4][C:5]([H:10])([H:11])[O:6]1)\[H:7],[N:1]#[C:2][O:6][C:5]([O:4][C:3]([H:7])([H:8])[H:9])([H:10])[H:11],"InChI=1S/C3H5NO2/c4-3-1-5-2-6-3/h4H,1-2H2/b4-3-","InChI=1S/C3H5NO2/c1-5-3-6-2-4/h3H2,1H3",93.43383,18.91413,
160,[N:1](=[C:2]1/[C:3]([H:8])([H:9])[O:4][C:5]([H:10])([H:11])[O:6]1)\[H:7],[N:1]([C:2]1=[C:3]([H:9])[O:4][C:5]([H:10])([H:11])[O:6]1)([H:7])[H:8],"InChI=1S/C3H5NO2/c4-3-1-5-2-6-3/h4H,1-2H2/b4-3-","InChI=1S/C3H5NO2/c4-3-1-5-2-6-3/h1H,2,4H2",71.46506,15.50213,
161,[N:1](=[C:2]1/[C:3]([H:8])([H:9])[O:4][C:5]([H:10])([H:11])[O:6]1)\[H:7],[N:1]1([H:7])[C:2](=[O:6])[C:3]1([H:8])[H:9].[O:4]=[C:5]([H:10])[H:11],"InChI=1S/C3H5NO2/c4-3-1-5-2-6-3/h4H,1-2H2/b4-3-","InChI=1S/C2H3NO.CH2O/c4-2-1-3-2;1-2/h1H2,(H,3,4);1H2",49.11231,37.75343,
162,[N:1](=[C:2]1/[C:3]([H:8])([H:9])[O:4][C:5]([H:10])([H:11])[O:6]1)\[H:7],[C:5](=[O:6])([H:10])[H:11].[N:1]1([H:7])[C:2][C:3]([H:8])([H:9])[O:4]1,"InChI=1S/C3H5NO2/c4-3-1-5-2-6-3/h4H,1-2H2/b4-3-","InChI=1S/C2H3NO.CH2O/c1-2-4-3-1;1-2/h3H,2H2;1H2",115.98128999999999,118.937,
163,[N:1](=[C:2]1/[C:3]([H:8])([H:9])[O:4][C:5]([H:10])([H:11])[O:6]1)\[H:7],[N:1]#[C:2][C:3]([O:4][C:5]([O:6][H:7])([H:10])[H:11])([H:8])[H:9],"InChI=1S/C3H5NO2/c4-3-1-5-2-6-3/h4H,1-2H2/b4-3-","InChI=1S/C3H5NO2/c4-1-2-6-3-5/h5H,2-3H2",60.58909,6.50062,
164,[N:1](=[C:2]1/[C:3]([H:8])([H:9])[O:4][C:5]([H:10])([H:11])[O:6]1)\[H:7],[C:3](=[O:4])([H:8])[H:9].[C:5](=[O:6])([H:10])[H:11].[N:1](=[C:2])[H:7],"InChI=1S/C3H5NO2/c4-3-1-5-2-6-3/h4H,1-2H2/b4-3-",InChI=1S/CHN.2CH2O/c3*1-2/h2H;2*1H2,58.813390000000005,59.6711,
165,[N:1](=[C:2]1/[C:3]([H:8])([H:9])[O:4][C:5]([H:10])([H:11])[O:6]1)\[H:7],[H:8][H:9].[N:1](=[C:2]1/[C-:3]=[O+:4][C:5]([H:10])([H:11])[O:6]1)\[H:7],"InChI=1S/C3H5NO2/c4-3-1-5-2-6-3/h4H,1-2H2/b4-3-","InChI=1S/C3H3NO2.H2/c4-3-1-5-2-6-3;/h4H,2H2;1H/b4-3-;",75.44100999999999,68.82047,
166,[N:1](=[C:2]1/[C:3]([H:8])([H:9])[O:4][C:5]([H:10])([H:11])[O:6]1)\[H:7],[H:10][H:11].[N:1](=[C:2]1/[C:3]([H:8])([H:9])[O+:4]=[C-:5][O:6]1)\[H:7],"InChI=1S/C3H5NO2/c4-3-1-5-2-6-3/h4H,1-2H2/b4-3-","InChI=1S/C3H3NO2.H2/c4-3-1-5-2-6-3;/h4H,1H2;1H/b4-3-;",73.22703,47.08829,
167,[O:1]=[C:2]([C:3](=[O:4])[C:5]#[N:6])[H:7],[O+:1](=[C-:2][H:7])[C:3](=[O:4])[C:5]#[N:6],InChI=1S/C3HNO2/c4-1-3(6)2-5/h2H,InChI=1S/C3HNO2/c1-6-3(5)2-4/h1H,60.85729,61.74315,
168,[O:1]=[C:2]([C:3](=[O:4])[C:5]#[N:6])[H:7],[O:1]=[C:2]([O+:4]=[C:3]=[C:5]=[N-:6])[H:7],InChI=1S/C3HNO2/c4-1-3(6)2-5/h2H,InChI=1S/C3HNO2/c4-1-2-6-3-5/h3H,47.862629999999996,44.97375,
169,[O:1]=[C:2]([C:3](=[O:4])[C:5]#[N:6])[H:7],[C-:3]#[O+:4].[O:1]=[C:2]([C:5]#[N:6])[H:7],InChI=1S/C3HNO2/c4-1-3(6)2-5/h2H,InChI=1S/C2HNO.CO/c3-1-2-4;1-2/h2H;,45.64857,-1.8134599999999998,"1,2_Insertion_CO"
170,[O:1]=[C:2]([C:3](=[O:4])[C:5]#[N:6])[H:7],[O:1]=[C:2]([N:6]=[C:5]=[C:3]=[O:4])[H:7],InChI=1S/C3HNO2/c4-1-3(6)2-5/h2H,InChI=1S/C3HNO2/c5-2-1-4-3-6/h3H,52.46171999999999,25.4075,
171,[O:1]=[C:2]([C:3](=[O:4])[C:5]#[N:6])[H:7],[O:1]=[C:2]([C:3](=[O:4])[N+:6]#[C-:5])[H:7],InChI=1S/C3HNO2/c4-1-3(6)2-5/h2H,InChI=1S/C3HNO2/c1-4-3(6)2-5/h2H,45.19181,17.35456,
172,[O:1]=[C:2]([C:3](=[O:4])[C:5]#[N:6])[H:7],[O:1]([C:2](=[C:3]=[O:4])[H:7])[C:5]#[N:6],InChI=1S/C3HNO2/c4-1-3(6)2-5/h2H,InChI=1S/C3HNO2/c4-3-6-2-1-5/h2H,84.6981,26.70588,ketoenol
173,[O:1]=[C:2]([C:3](=[O:4])[C:5]#[N:6])[H:7],[C+:3]([O:4][H:7])=[C:5]=[N-:6].[O+:1]#[C-:2],InChI=1S/C3HNO2/c4-1-3(6)2-5/h2H,InChI=1S/C2HNO.CO/c3-1-2-4;1-2/h4H;,48.620509999999996,41.36945,
174,[O:1]=[C:2]([C:3](=[O:4])[C:5]#[N:6])[H:7],[O:1]([C+:2]=[C:3]([O-:4])[C:5]#[N:6])[H:7],InChI=1S/C3HNO2/c4-1-3(6)2-5/h2H,"InChI=1S/C3HNO2/c4-1-3(6)2-5/h(H-,5,6)",81.09127,46.20295,
175,[O:1]=[C:2]([C:3](=[O:4])[C:5]#[N:6])[H:7],[C:3](=[O:4])=[C:5]=[N:6][H:7].[O+:1]#[C-:2],InChI=1S/C3HNO2/c4-1-3(6)2-5/h2H,InChI=1S/C2HNO.CO/c3-1-2-4;1-2/h3H;,31.5097,27.042340000000003,
176,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C@@:4]2([H:9])[O:5][C@@:6]12[H:10],[O:1]([C:2]1=[C:3]([H:7])[C@@:4]2([H:9])[O:5][C@@:6]12[H:10])[H:8],"InChI=1S/C4H4O2/c5-2-1-3-4(2)6-3/h3-4H,1H2/t3-,4+/m1/s1","InChI=1S/C4H4O2/c5-2-1-3-4(2)6-3/h1,3-5H/t3-,4+/m1/s1",76.76083,24.115070000000003,ketoenol
177,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C@@:4]2([H:9])[O:5][C@@:6]12[H:10],[O:1]([C:2]1=[C:6]2[C@@:4]([H:9])([C:3]1([H:7])[H:8])[O:5]2)[H:10],"InChI=1S/C4H4O2/c5-2-1-3-4(2)6-3/h3-4H,1H2/t3-,4+/m1/s1","InChI=1S/C4H4O2/c5-2-1-3-4(2)6-3/h3,5H,1H2/t3-/m1/s1",75.21717,51.38145,ketoenol
178,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C@@:4]2([H:9])[O:5][C@@:6]12[H:10],[O-:1][C:6](=[C+:2][C:3]([C:4](=[O:5])[H:9])([H:7])[H:8])[H:10],"InChI=1S/C4H4O2/c5-2-1-3-4(2)6-3/h3-4H,1H2/t3-,4+/m1/s1","InChI=1S/C4H4O2/c5-3-1-2-4-6/h3-4H,1H2",44.11039,38.72148,
179,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C@@:4]2([H:9])[O:5][C@@:6]12[H:10],[O:1]=[C:2]1[C:3]([H:7])([H:8])[O:5][C@@:6]1([C:4][H:9])[H:10],"InChI=1S/C4H4O2/c5-2-1-3-4(2)6-3/h3-4H,1H2/t3-,4+/m1/s1","InChI=1S/C4H4O2/c1-3-4(5)2-6-3/h1,3H,2H2/t3-/m1/s1",93.93856,72.54675,
180,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C@@:4]2([H:9])[O:5][C@@:6]12[H:10],[O:1]=[C:2]([C:3]([C@@:4]1([H:9])[O+:5]=[C-:6]1)([H:7])[H:8])[H:10],"InChI=1S/C4H4O2/c5-2-1-3-4(2)6-3/h3-4H,1H2/t3-,4+/m1/s1","InChI=1S/C4H4O2/c5-2-1-4-3-6-4/h2,4H,1H2/t4-/m1/s1",50.80066,34.50793,
181,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C@@:4]2([H:9])[O:5][C@@:6]12[H:10],[O:1]=[C:2](/[C:3](=[C:4](\[C:6](=[O:5])[H:10])[H:9])[H:7])[H:8],"InChI=1S/C4H4O2/c5-2-1-3-4(2)6-3/h3-4H,1H2/t3-,4+/m1/s1",InChI=1S/C4H4O2/c5-3-1-2-4-6/h1-4H/b2-1-,74.64759000000001,-27.773259999999997,
182,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C@@:4]2([H:9])[O:5][C@@:6]12[H:10],[O-:1][C:2]1=[C+:6][C@@:4]([O:5][H:10])([H:9])[C:3]1([H:7])[H:8],"InChI=1S/C4H4O2/c5-2-1-3-4(2)6-3/h3-4H,1H2/t3-,4+/m1/s1","InChI=1S/C4H4O2/c5-3-1-4(6)2-3/h3,5H,1H2/t3-/m1/s1",65.46401999999999,61.29654,
183,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C@@:4]2([H:9])[O:5][C@@:6]12[H:10],[O-:1][C:2]([C:3]([C+:4]([H:9])[H:10])([H:7])[H:8])=[C:6]=[O:5],"InChI=1S/C4H4O2/c5-2-1-3-4(2)6-3/h3-4H,1H2/t3-,4+/m1/s1",InChI=1S/C4H4O2/c1-2-4(6)3-5/h1-2H2,62.856390000000005,12.86595,
184,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C@@:4]2([H:9])[O:5][C@@:6]12[H:10],[O:1]=[C:2]1[C:3]([H:7])([H:8])[C@@:6]1([C:4](=[O:5])[H:9])[H:10],"InChI=1S/C4H4O2/c5-2-1-3-4(2)6-3/h3-4H,1H2/t3-,4+/m1/s1","InChI=1S/C4H4O2/c5-2-3-1-4(3)6/h2-3H,1H2/t3-/m1/s1",40.25075,-12.034989999999999,
185,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C@@:4]2([H:9])[O:5][C@@:6]12[H:10],[O:1]=[C:2]=[C:6]([O:5][C:4](=[C:3]([H:7])[H:8])[H:9])[H:10],"InChI=1S/C4H4O2/c5-2-1-3-4(2)6-3/h3-4H,1H2/t3-,4+/m1/s1","InChI=1S/C4H4O2/c1-2-6-4-3-5/h2,4H,1H2",22.637610000000002,-1.13361,
186,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C@@:4]2([H:9])[O:5][C@@:6]12[H:10],[C:3](=[C:4]([C:6](=[O:5])[H:10])[H:9])([H:7])[H:8].[O+:1]#[C-:2],"InChI=1S/C4H4O2/c5-2-1-3-4(2)6-3/h3-4H,1H2/t3-,4+/m1/s1","InChI=1S/C3H4O.CO/c1-2-3-4;1-2/h2-3H,1H2;",43.26702,-27.564120000000003,
187,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C@@:4]2([H:9])[O:5][C@@:6]12[H:10],[O:1]([C-:2]1[C:3]([H:7])([H:8])[C:4]2=[O+:5][C@@:6]12[H:10])[H:9],"InChI=1S/C4H4O2/c5-2-1-3-4(2)6-3/h3-4H,1H2/t3-,4+/m1/s1","InChI=1S/C4H4O2/c5-2-1-3-4(2)6-3/h4-5H,1H2/t4-/m0/s1",90.72314,54.239830000000005,
188,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C@@:4]2([H:9])[O:5][C@@:6]12[H:10],[O:1]1[C:2](=[C:3]([H:7])[H:8])[C@@:6]1([C:4](=[O:5])[H:9])[H:10],"InChI=1S/C4H4O2/c5-2-1-3-4(2)6-3/h3-4H,1H2/t3-,4+/m1/s1","InChI=1S/C4H4O2/c1-3-4(2-5)6-3/h2,4H,1H2/t4-/m0/s1",42.02838,-1.0898299999999999,
189,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C@@:4]2([H:9])[O:5][C@@:6]12[H:10],[O:1]=[C:2]=[C:3]([C@@:4]1([H:9])[O:5][C:6]1([H:8])[H:10])[H:7],"InChI=1S/C4H4O2/c5-2-1-3-4(2)6-3/h3-4H,1H2/t3-,4+/m1/s1","InChI=1S/C4H4O2/c5-2-1-4-3-6-4/h1,4H,3H2/t4-/m1/s1",74.66367,-6.0240599999999995,
190,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C@@:4]2([H:9])[O:5][C@@:6]12[H:10],[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4][C@:6]1([O:5][H:9])[H:10],"InChI=1S/C4H4O2/c5-2-1-3-4(2)6-3/h3-4H,1H2/t3-,4+/m1/s1","InChI=1S/C4H4O2/c5-3-1-2-4(3)6/h4,6H,1H2/t4-/m1/s1",63.17869,61.53944,
191,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C@@:4]2([H:9])[O:5][C@@:6]12[H:10],[O-:1][C:2](=[C+:3][H:8])[C@@:6]1([H:10])[C:4]([H:7])([H:9])[O:5]1,"InChI=1S/C4H4O2/c5-2-1-3-4(2)6-3/h3-4H,1H2/t3-,4+/m1/s1","InChI=1S/C4H4O2/c1-3(5)4-2-6-4/h1,4H,2H2/t4-/m1/s1",69.29641,62.554990000000004,
192,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C@@:4]2([H:9])[O:5][C@@:6]12[H:10],[O:1]=[C:2]1[C:3]([H:7])([H:8])[C@:4]1([O+:5]=[C-:6][H:10])[H:9],"InChI=1S/C4H4O2/c5-2-1-3-4(2)6-3/h3-4H,1H2/t3-,4+/m1/s1","InChI=1S/C4H4O2/c1-6-4-2-3(4)5/h1,4H,2H2/t4-/m1/s1",84.1309,64.65269,
193,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C@@:4]2([H:9])[O:5][C@@:6]12[H:10],[O-:1][C:2]([C:3]([C:4](=[O:5])[H:9])([H:7])[H:8])=[C+:6][H:10],"InChI=1S/C4H4O2/c5-2-1-3-4(2)6-3/h3-4H,1H2/t3-,4+/m1/s1","InChI=1S/C4H4O2/c1-4(6)2-3-5/h1,3H,2H2",40.12663,39.895790000000005,
194,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C@@:4]2([H:9])[O:5][C@@:6]12[H:10],[O+:1](=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])=[C:6]1[H:10])[O-:5],"InChI=1S/C4H4O2/c5-2-1-3-4(2)6-3/h3-4H,1H2/t3-,4+/m1/s1","InChI=1S/C4H4O2/c5-6-4-2-1-3-4/h1-2H,3H2",128.27995,76.46484,
195,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C@@:4]2([H:9])[O:5][C@@:6]12[H:10],[O:1]=[C:2]1[C:3]([H:7])([H:8])[C-:4]=[O+:5][C:6]1([H:9])[H:10],"InChI=1S/C4H4O2/c5-2-1-3-4(2)6-3/h3-4H,1H2/t3-,4+/m1/s1","InChI=1S/C4H4O2/c5-4-1-2-6-3-4/h1,3H2",55.946169999999995,14.76188,
196,[c:1]1([H:7])[n:2][n:3][c:4]([H:8])[n:5][n:6]1,[C:1](#[N+:2][N-:3][C-:4]([N+:5]#[N:6])[H:8])[H:7],InChI=1S/C2H2N4/c1-3-5-2-6-4-1/h1-2H,InChI=1S/C2H2N4/c1-4-6-2-5-3/h1-2H,44.86715,35.73385,
197,[c:1]1([H:7])[n:2][n:3][c:4]([H:8])[n:5][n:6]1,[C:1](#[N:6])[H:7].[C:4](#[N:5])[H:8].[N:2]#[N:3],InChI=1S/C2H2N4/c1-3-5-2-6-4-1/h1-2H,InChI=1S/2CHN.N2/c3*1-2/h2*1H;,33.91124,-44.0436,
198,[c:1]1([H:7])[n:2][n:3][c:4]([H:8])[n:5][n:6]1,[C:1]1([H:7])=[N:6][N:5]([H:8])[C:4]#[N+:3][N-:2]1,InChI=1S/C2H2N4/c1-3-5-2-6-4-1/h1-2H,"InChI=1S/C2H2N4/c1-3-5-2-6-4-1/h1,5H",81.35911,36.944179999999996,
199,[C:1]([N:2]1[C:3]([H:8])([H:9])[C:4]1([H:10])[H:11])([H:5])([H:6])[H:7],[C:1]([C:3]([N:2]=[C:4]([H:10])[H:11])([H:8])[H:9])([H:5])([H:6])[H:7],"InChI=1S/C3H7N/c1-4-2-3-4/h2-3H2,1H3","InChI=1S/C3H7N/c1-3-4-2/h2-3H2,1H3",86.42251,-18.59459,
200,[C:1]([N:2]1[C:3]([H:8])([H:9])[C:4]1([H:10])[H:11])([H:5])([H:6])[H:7],[C:1]([N+:2]([C-:3]([H:8])[H:9])=[C:4]([H:10])[H:11])([H:5])([H:6])[H:7],"InChI=1S/C3H7N/c1-4-2-3-4/h2-3H2,1H3","InChI=1S/C3H7N/c1-4(2)3/h1-2H2,3H3",38.237109999999994,18.75696,
201,[C:1]([N:2]1[C:3]([H:8])([H:9])[C:4]1([H:10])[H:11])([H:5])([H:6])[H:7],[C:1]([H:5])([H:6])([H:7])[H:11].[N:2]1=[C:4]([H:10])[C:3]1([H:8])[H:9],"InChI=1S/C3H7N/c1-4-2-3-4/h2-3H2,1H3","InChI=1S/C2H3N.CH4/c1-2-3-1;/h1H,2H2;1H4",86.70286,16.52372,
202,[C:1]([N:2]1[C:3]([H:8])([H:9])[C:4]1([H:10])[H:11])([H:5])([H:6])[H:7],[C-:1]([N+:2]1=[C:3]([H:8])[C:4]1([H:10])[H:11])([H:6])[H:7].[H:5][H:9],"InChI=1S/C3H7N/c1-4-2-3-4/h2-3H2,1H3","InChI=1S/C3H5N.H2/c1-4-2-3-4;/h2H,1,3H2;1H",69.77563,64.18651,
203,[C:1]([N:2]1[C:3]([H:8])([H:9])[C:4]1([H:10])[H:11])([H:5])([H:6])[H:7],[C:1]([N+:2]1([H:11])[C:3]([H:8])([H:9])[C-:4]1[H:10])([H:5])([H:6])[H:7],"InChI=1S/C3H7N/c1-4-2-3-4/h2-3H2,1H3","InChI=1S/C3H7N/c1-4-2-3-4/h2,4H,3H2,1H3",63.53063,53.449369999999995,
204,[C:1]([N:2](/[C:3](=[N:4]\[H:11])[C:5](=[O:6])[H:12])[H:10])([H:7])([H:8])[H:9],[C:1]([N:2]([H:10])[H:11])([H:7])([H:8])[H:9].[C:3](#[N:4])[C:5](=[O:6])[H:12],"InChI=1S/C3H6N2O/c1-5-3(4)2-6/h2H,1H3,(H2,4,5)","InChI=1S/C2HNO.CH5N/c3-1-2-4;1-2/h2H;2H2,1H3",57.858059999999995,28.014640000000004,
205,[C:1]([N:2](/[C:3](=[N:4]\[H:11])[C:5](=[O:6])[H:12])[H:10])([H:7])([H:8])[H:9],[C:1]([N+:2](=[C-:3][N:4]([C:5](=[O:6])[H:12])[H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C3H6N2O/c1-5-3(4)2-6/h2H,1H3,(H2,4,5)","InChI=1S/C3H6N2O/c1-4-2-5-3-6/h3-4H,1H3,(H,5,6)",44.31278,21.48665,
206,[C:1]([N:2](/[C:3](=[N:4]\[H:11])[C:5](=[O:6])[H:12])[H:10])([H:7])([H:8])[H:9],[C+:1]([N:2]([C:3]([N:4]([H:9])[H:11])=[C:5]([O-:6])[H:12])[H:10])([H:7])[H:8],"InChI=1S/C3H6N2O/c1-5-3(4)2-6/h2H,1H3,(H2,4,5)","InChI=1S/C3H6N2O/c1-5-3(4)2-6/h2,5H,1,4H2",48.645340000000004,21.296979999999998,
207,[C:1]([N:2](/[C:3](=[N:4]\[H:11])[C:5](=[O:6])[H:12])[H:10])([H:7])([H:8])[H:9],[C-:5]#[O+:6].[C:1]([N:2]([C:3][N:4]([H:11])[H:12])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C3H6N2O/c1-5-3(4)2-6/h2H,1H3,(H2,4,5)","InChI=1S/C2H6N2.CO/c1-4-2-3;1-2/h4H,3H2,1H3;",49.7112,35.34,
208,[C:1]([N:2](/[C:3](=[N:4]\[H:11])[C:5](=[O:6])[H:12])[H:10])([H:7])([H:8])[H:9],[C:1]([N:2]([C:3](/[C:5](=[N:4]/[H:11])[H:12])=[O:6])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C3H6N2O/c1-5-3(4)2-6/h2H,1H3,(H2,4,5)","InChI=1S/C3H6N2O/c1-5-3(6)2-4/h2,4H,1H3,(H,5,6)/b4-2+",81.42166,-2.4877700000000003,
209,[C:1]([N:2](/[C:3](=[N:4]\[H:11])[C:5](=[O:6])[H:12])[H:10])([H:7])([H:8])[H:9],[C:1](=[N:2]/[C:3](=[N:4]\[H:11])[C:5](=[O:6])[H:12])([H:7])[H:8].[H:9][H:10],"InChI=1S/C3H6N2O/c1-5-3(4)2-6/h2H,1H3,(H2,4,5)","InChI=1S/C3H4N2O.H2/c1-5-3(4)2-6;/h2,4H,1H2;1H/b4-3-;",105.59598999999999,34.63539,
210,[C:1]([N:2](/[C:3](=[N:4]\[H:11])[C:5](=[O:6])[H:12])[H:10])([H:7])([H:8])[H:9],[C:1]([N:2]1/[C:3](=[N:4]\[H:11])[C@@:5]1([O:6][H:10])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C3H6N2O/c1-5-3(4)2-6/h2H,1H3,(H2,4,5)","InChI=1S/C3H6N2O/c1-5-2(4)3(5)6/h3-4,6H,1H3/b4-2-/t3-,5?/m0/s1",53.97837,34.934490000000004,
211,[C:1]([N:2](/[C:3](=[N:4]\[H:11])[C:5](=[O:6])[H:12])[H:10])([H:7])([H:8])[H:9],[C:1](=[N:2][H:10])([H:7])[H:8].[C:3](=[N:4][H:11])=[C:5]([O:6][H:9])[H:12],"InChI=1S/C3H6N2O/c1-5-3(4)2-6/h2H,1H3,(H2,4,5)","InChI=1S/C2H3NO.CH3N/c3-1-2-4;1-2/h2-4H;2H,1H2",71.15288000000001,49.24372,Retroene
212,[C:1]([N:2](/[C:3](=[N:4]\[H:11])[C:5](=[O:6])[H:12])[H:10])([H:7])([H:8])[H:9],[C-:5]#[O+:6].[C:1]([N:2](/[C:3](=[N:4]\[H:11])[H:12])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C3H6N2O/c1-5-3(4)2-6/h2H,1H3,(H2,4,5)","InChI=1S/C2H6N2.CO/c1-4-2-3;1-2/h2H,1H3,(H2,3,4);",79.24441,5.44463,"1,2_Insertion_CO"
213,[C:1]([N:2](/[C:3](=[N:4]\[H:11])[C:5](=[O:6])[H:12])[H:10])([H:7])([H:8])[H:9],[C:1]([N:2]([C:3]([N:4]([O-:6])[H:11])=[C+:5][H:12])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C3H6N2O/c1-5-3(4)2-6/h2H,1H3,(H2,4,5)","InChI=1S/C3H6N2O/c1-3(4-2)5-6/h1,4-5H,2H3",124.58937,123.08308000000001,
214,[C:1]([N:2](/[C:3](=[N:4]\[H:11])[C:5](=[O:6])[H:12])[H:10])([H:7])([H:8])[H:9],[C:1]([N:2]([C:3]#[N:4])[H:10])([H:7])([H:8])[H:9].[C:5](=[O:6])([H:11])[H:12],"InChI=1S/C3H6N2O/c1-5-3(4)2-6/h2H,1H3,(H2,4,5)","InChI=1S/C2H4N2.CH2O/c1-4-2-3;1-2/h4H,1H3;1H2",73.76543000000001,29.0565,
215,[C:1]([N:2](/[C:3](=[N:4]\[H:11])[C:5](=[O:6])[H:12])[H:10])([H:7])([H:8])[H:9],[C+:1]([N:2]([C:3]([N-:4][H:11])=[C:5]=[O:6])[H:10])([H:7])[H:8].[H:9][H:12],"InChI=1S/C3H6N2O/c1-5-3(4)2-6/h2H,1H3,(H2,4,5)","InChI=1S/C3H4N2O.H2/c1-5-3(4)2-6;/h4-5H,1H2;1H",86.91498,79.26755,
216,[C:1]([N:2](/[C:3](=[N:4]\[H:11])[C:5](=[O:6])[H:12])[H:10])([H:7])([H:8])[H:9],[C:1]([N:2]([c:3]1[n:4]([H:11])[o:6][c:5]1[H:12])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C3H6N2O/c1-5-3(4)2-6/h2H,1H3,(H2,4,5)","InChI=1S/C3H6N2O/c1-4-3-2-6-5-3/h2,4-5H,1H3",86.67969000000001,77.5555,
217,[C:1]([N:2](/[C:3](=[N:4]\[H:11])[C:5](=[O:6])[H:12])[H:10])([H:7])([H:8])[H:9],[C:1]([N:2]=[C:3]=[N:4][H:11])([H:7])([H:8])[H:9].[C:5](=[O:6])([H:10])[H:12],"InChI=1S/C3H6N2O/c1-5-3(4)2-6/h2H,1H3,(H2,4,5)","InChI=1S/C2H4N2.CH2O/c1-4-2-3;1-2/h3H,1H3;1H2",82.22891,25.95626,
218,[C:1]([O:2][C:3](=[O:4])[C:5]([O:6][H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:2][C@:3]([O:4][H:12])([C:5](=[O:6])[H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C3H6O3/c1-6-3(5)2-4/h4H,2H2,1H3","InChI=1S/C3H6O3/c1-6-3(5)2-4/h2-3,5H,1H3/t3-/m0/s1",51.99942,20.02215,
219,[C:1]([O:2][C:3](=[O:4])[C:5]([O:6][H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](=[O:2])([H:8])[H:9].[C:3](=[O:4])([C:5]([O:6][H:12])([H:10])[H:11])[H:7],"InChI=1S/C3H6O3/c1-6-3(5)2-4/h4H,2H2,1H3","InChI=1S/C2H4O2.CH2O/c3-1-2-4;1-2/h1,4H,2H2;1H2",69.3413,36.50934,
220,[C:1]([O:2][C:3](=[O:4])[C:5]([O:6][H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:2][H:10])([H:7])([H:8])[H:9].[C:3](=[O:4])=[C:5]([O:6][H:12])[H:11],"InChI=1S/C3H6O3/c1-6-3(5)2-4/h4H,2H2,1H3","InChI=1S/C2H2O2.CH4O/c3-1-2-4;1-2/h1,3H;2H,1H3",68.30879,46.09659,"1,3_Insertion_ROR"
221,[C:1]([O:2][C:3](=[O:4])[C:5]([O:6][H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:2][C:3](=[O:4])[C:5](=[O:6])[H:11])([H:7])([H:8])[H:9].[H:10][H:12],"InChI=1S/C3H6O3/c1-6-3(5)2-4/h4H,2H2,1H3","InChI=1S/C3H4O3.H2/c1-6-3(5)2-4;/h2H,1H3;1H",91.13866,27.21105,
222,[C:1]([O:2][C:3](=[O:4])[C:5]([O:6][H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:2]/[C:3]([O:4][H:12])=[C:5](/[O:6][H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C3H6O3/c1-6-3(5)2-4/h4H,2H2,1H3","InChI=1S/C3H6O3/c1-6-3(5)2-4/h2,4-5H,1H3/b3-2+",66.38373,25.00907,ketoenol
223,[C:1]([O:2][C:3](=[O:4])[C:5]([O:6][H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:2][C@:3]1([O:4][H:12])[C:5]([H:10])([H:11])[O:6]1)([H:7])([H:8])[H:9],"InChI=1S/C3H6O3/c1-6-3(5)2-4/h4H,2H2,1H3","InChI=1S/C3H6O3/c1-5-3(4)2-6-3/h4H,2H2,1H3/t3-/m1/s1",50.94529,34.41865,
224,[C:1]([O:2][C:3](=[O:4])[C:5]([O:6][H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]1([H:8])([H:9])[O:2][C@@:3]1([O:4][H:7])[C:5]([O:6][H:12])([H:10])[H:11],"InChI=1S/C3H6O3/c1-6-3(5)2-4/h4H,2H2,1H3","InChI=1S/C3H6O3/c4-1-3(5)2-6-3/h4-5H,1-2H2/t3-/m0/s1",89.61077,29.856140000000003,
225,[C:1]([O:2][C:3](=[O:4])[C:5]([O:6][H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O+:2]=[C-:3][O:4][C:5]([O:6][H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C3H6O3/c1-6-3(5)2-4/h4H,2H2,1H3","InChI=1S/C3H6O3/c1-5-3-6-2-4/h4H,2H2,1H3",88.84178,56.01991999999999,
226,[C:1]([O:2][C:3](=[O:4])[C:5]([O:6][H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]1([H:8])([H:9])[O:2][C:3](=[O:4])[C:5]([H:10])([H:11])[O:6]1.[H:7][H:12],"InChI=1S/C3H6O3/c1-6-3(5)2-4/h4H,2H2,1H3",InChI=1S/C3H4O3.H2/c4-3-1-5-2-6-3;/h1-2H2;1H,83.75468000000001,22.92013,
227,[C:1]([C:2]([O:3][C:4]([C:5](=[O:6])[H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](=[O:3])[H:11])([H:7])([H:8])[H:9].[C:4](=[C:5]([O:6][H:10])[H:14])([H:12])[H:13],"InChI=1S/C4H8O2/c1-2-6-4-3-5/h3H,2,4H2,1H3","InChI=1S/2C2H4O/c2*1-2-3/h2H,1H3;2-3H,1H2",42.626020000000004,5.883,Retroene
228,[C:1]([C:2]([O:3][C:4]([C:5](=[O:6])[H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]([H:10])[H:11])([H:8])[H:9].[C:5](=[O:6])([H:7])[H:14].[O:3]=[C:4]([H:12])[H:13],"InChI=1S/C4H8O2/c1-2-6-4-3-5/h3H,2,4H2,1H3",InChI=1S/C2H4.2CH2O/c3*1-2/h1-2H2;2*1H2,65.8283,37.08341,
229,[C:1]([C:2]([O:3][C:4]([C:5](=[O:6])[H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:13].[C:2](=[O+:3][C:4](=[C:5]([O-:6])[H:14])[H:12])([H:10])[H:11],"InChI=1S/C4H8O2/c1-2-6-4-3-5/h3H,2,4H2,1H3","InChI=1S/C3H4O2.CH4/c1-5-3-2-4;/h2-3H,1H2;1H4",71.73084,44.74145,
230,[C:1]([C:2]([O:3][C:4]([C:5](=[O:6])[H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([O:3][C:4]([O+:6]=[C-:5][H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-2-6-4-3-5/h3H,2,4H2,1H3","InChI=1S/C4H8O2/c1-3-6-4-5-2/h2H,3-4H2,1H3",94.03484,63.39154,
231,[C:1]([C:2]([O:3][C:4]([C:5](=[O:6])[H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([O:3]/[C:4](=[C:5](/[O:6][H:13])[H:14])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-2-6-4-3-5/h3H,2,4H2,1H3","InChI=1S/C4H8O2/c1-2-6-4-3-5/h3-5H,2H2,1H3/b4-3+",61.99415,3.85773,ketoenol
232,[C:1]([C:2]([O:3][C:4]([C:5](=[O:6])[H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([O:3][C:4]([C:5][O:6][H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-2-6-4-3-5/h3H,2,4H2,1H3","InChI=1S/C4H8O2/c1-2-6-4-3-5/h5H,2,4H2,1H3",80.57306,55.067069999999994,
233,[C:1]([C:2]([O:3][C:4]([C:5](=[O:6])[H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](=[O+:3][C:4](=[C:5]([O-:6])[H:14])[H:12])[H:11])([H:7])([H:8])[H:9].[H:10][H:13],"InChI=1S/C4H8O2/c1-2-6-4-3-5/h3H,2,4H2,1H3","InChI=1S/C4H6O2.H2/c1-2-6-4-3-5;/h2-4H,1H3;1H",54.527840000000005,49.596990000000005,
234,[C:1]([C:2]([O:3][C:4]([C:5](=[O:6])[H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[O:3][C:4]([H:12])([H:13])[C@@:5]1([O:6][H:7])[H:14],"InChI=1S/C4H8O2/c1-2-6-4-3-5/h3H,2,4H2,1H3","InChI=1S/C4H8O2/c5-4-1-2-6-3-4/h4-5H,1-3H2/t4-/m1/s1",78.73527,-3.77927,
235,[C:1]([C:2]([O:3][C:4]([C:5](=[O:6])[H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([O:3][C@:5]1([H:14])[C:4]([H:12])([H:13])[O:6]1)([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-2-6-4-3-5/h3H,2,4H2,1H3","InChI=1S/C4H8O2/c1-2-5-4-3-6-4/h4H,2-3H2,1H3/t4-/m0/s1",65.16508,15.69873,
236,[C:1]([C:2]([O:3][C:4]([C:5](=[O:6])[H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[O:3][C:4]([H:12])([H:13])[C:5]([H:7])([H:14])[O:6]1,"InChI=1S/C4H8O2/c1-2-6-4-3-5/h3H,2,4H2,1H3",InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2,83.53381,2.17988,
237,[C:1]([C:2]([O:3][C:4]([C:5](=[O:6])[H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C-:5]#[O+:6].[C:1]([C:2]([H:10])([H:11])[H:14])([H:7])([H:8])[H:9].[O:3]=[C:4]([H:12])[H:13],"InChI=1S/C4H8O2/c1-2-6-4-3-5/h3H,2,4H2,1H3",InChI=1S/C2H6.CH2O.CO/c3*1-2/h1-2H3;1H2;,55.04456999999999,3.1853599999999997,
238,[C:1]([C:2]([O:3][C:4]([C:5](=[O:6])[H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([O:3][O:6][C:5](=[C:4]([H:12])[H:13])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-2-6-4-3-5/h3H,2,4H2,1H3","InChI=1S/C4H8O2/c1-3-5-6-4-2/h3H,1,4H2,2H3",77.29392,57.23106,ketoenol
239,[C:1]([C:2]([O:3][C:4]([C:5](=[O:6])[H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:6][C:5](=[C:4]([H:12])[H:13])[H:14])([H:7])([H:8])[H:9].[C:2](=[O:3])([H:10])[H:11],"InChI=1S/C4H8O2/c1-2-6-4-3-5/h3H,2,4H2,1H3","InChI=1S/C3H6O.CH2O/c1-3-4-2;1-2/h3H,1H2,2H3;1H2",84.8974,25.79521,
240,[C:1]([C:2]([O:3][C:4]([C:5](=[O:6])[H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([O:3][H:14])([H:10])[H:11])([H:7])([H:8])[H:9].[C:4](=[C:5]=[O:6])([H:12])[H:13],"InChI=1S/C4H8O2/c1-2-6-4-3-5/h3H,2,4H2,1H3","InChI=1S/C2H6O.C2H2O/c2*1-2-3/h3H,2H2,1H3;1H2",71.69209000000001,4.76428,"1,3_Insertion_ROR"
241,[C:1]([C:2]([O:3][C:4]([C:5](=[O:6])[H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([O:3][C:4](=[C:5]=[O:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9].[H:13][H:14],"InChI=1S/C4H8O2/c1-2-6-4-3-5/h3H,2,4H2,1H3","InChI=1S/C4H6O2.H2/c1-2-6-4-3-5;/h4H,2H2,1H3;1H",70.33582,33.582409999999996,
242,[C:1]1([H:6])([H:7])[O:2][C:3]([H:8])([H:9])[C:4]([H:10])=[C:5]1[H:11],[C:1]1([H:6])([H:7])[O:2][C:3]([H:9])=[C:4]([H:10])[C:5]1([H:8])[H:11],"InChI=1S/C4H6O/c1-2-4-5-3-1/h1-2H,3-4H2","InChI=1S/C4H6O/c1-2-4-5-3-1/h1,3H,2,4H2",73.14947,-4.09871,
243,[C:1]1([H:6])([H:7])[O:2][C:3]([H:8])([H:9])[C:4]([H:10])=[C:5]1[H:11],[C:1]1([H:6])([H:7])[O:2][C@:5]1([C:4](=[C:3]([H:8])[H:9])[H:10])[H:11],"InChI=1S/C4H6O/c1-2-4-5-3-1/h1-2H,3-4H2","InChI=1S/C4H6O/c1-2-4-3-5-4/h2,4H,1,3H2/t4-/m0/s1",66.38909,16.79605,
244,[C:1]1([H:6])([H:7])[O:2][C:3]([H:8])([H:9])[C:4]([H:10])=[C:5]1[H:11],[C:1]([O:2][C:3]([C:4](=[C:5])[H:10])([H:8])[H:9])([H:6])([H:7])[H:11],"InChI=1S/C4H6O/c1-2-4-5-3-1/h1-2H,3-4H2","InChI=1S/C4H6O/c1-3-4-5-2/h3H,4H2,2H3",71.99334,77.73106,
245,[C:1]1([H:6])([H:7])[O:2][C:3]([H:8])([H:9])[C:4]([H:10])=[C:5]1[H:11],[C:1]([C:5]#[C:4][H:10])([H:6])([H:7])[H:11].[O:2]=[C:3]([H:8])[H:9],"InChI=1S/C4H6O/c1-2-4-5-3-1/h1-2H,3-4H2","InChI=1S/C3H4.CH2O/c1-3-2;1-2/h1H,2H3;1H2",94.0535,34.270540000000004,
246,[C:1]1([H:6])([H:7])[O:2][C:3]([H:8])([H:9])[C:4]([H:10])=[C:5]1[H:11],[C:1]1([H:6])([H:7])[O:2][C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5]1,"InChI=1S/C4H6O/c1-2-4-5-3-1/h1-2H,3-4H2","InChI=1S/C4H6O/c1-2-4-5-3-1/h1,3-4H2",66.50032,67.75941,Singlet_Carbene_Intra_Disproportionation
247,[C:1]1([H:6])([H:7])[O:2][C:3]([H:8])([H:9])[C:4]([H:10])=[C:5]1[H:11],[C:1]1([H:6])=[C:5]=[C:4]([H:10])[C:3]([H:8])([H:9])[O:2]1.[H:7][H:11],"InChI=1S/C4H6O/c1-2-4-5-3-1/h1-2H,3-4H2","InChI=1S/C4H4O.H2/c1-2-4-5-3-1;/h1,4H,3H2;1H",83.20636999999999,71.23666999999999,
248,[C:1]1([H:6])([H:7])[O:2][C:3]([H:8])([H:9])[C:4]([H:10])=[C:5]1[H:11],[C:1]1([H:7])=[O+:2][C:3]([H:8])([H:9])[C-:4]([H:10])[C:5]1([H:6])[H:11],"InChI=1S/C4H6O/c1-2-4-5-3-1/h1-2H,3-4H2","InChI=1S/C4H6O/c1-2-4-5-3-1/h1,4H,2-3H2",67.8676,56.77535,
249,[C:1]1([H:6])([H:7])[O:2][C:3]([H:8])([H:9])[C:4]([H:10])=[C:5]1[H:11],[C:1]([O:2]/[C:3](=[C:4](\[C:5][H:11])[H:10])[H:9])([H:6])([H:7])[H:8],"InChI=1S/C4H6O/c1-2-4-5-3-1/h1-2H,3-4H2","InChI=1S/C4H6O/c1-3-4-5-2/h1,3-4H,2H3/b4-3-",122.87463999999999,73.78815999999999,
250,[C:1]1([H:6])([H:7])[O:2][C:3]([H:8])([H:9])[C:4]([H:10])=[C:5]1[H:11],[C:1]([O:2][H:9])(/[C:5](=[C:4](\[C:3][H:8])[H:10])[H:11])([H:6])[H:7],"InChI=1S/C4H6O/c1-2-4-5-3-1/h1-2H,3-4H2","InChI=1S/C4H6O/c1-2-3-4-5/h1-3,5H,4H2/b3-2-",71.37119,68.95233,
251,[C:1]1([H:6])([H:7])[O:2][C:3]([H:8])([H:9])[C:4]([H:10])=[C:5]1[H:11],[C:1]1([H:6])([H:7])[O+:2]=[C-:3][C:4]([H:10])=[C:5]1[H:11].[H:8][H:9],"InChI=1S/C4H6O/c1-2-4-5-3-1/h1-2H,3-4H2","InChI=1S/C4H4O.H2/c1-2-4-5-3-1;/h1-2H,3H2;1H",67.76035,60.92699,
252,[C:1]([c:2]1[n:3][c:4]([H:10])[c:5]([H:11])[o:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]#[N+:3][C:4](=[C:5]([O-:6])[H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-4-5-2-3-6-4/h2-3H,1H3","InChI=1S/C4H5NO/c1-2-5-3-4-6/h3-4H,1H3",35.15765,36.60694,
253,[C:1]([c:2]1[n:3][c:4]([H:10])[c:5]([H:11])[o:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]1=[N:3][C@:4]1([C:5](=[O:6])[H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-4-5-2-3-6-4/h2-3H,1H3","InChI=1S/C4H5NO/c1-3-4(2-6)5-3/h2,4H,1H3/t4-/m0/s1",70.08278,38.08984,ketoenol
254,[C:1]([c:2]1[n:3][c:4]([H:10])[c:5]([H:11])[o:6]1)([H:7])([H:8])[H:9],[C:1]([N:3]=[C:2]=[O:6])([H:7])([H:8])[H:9].[C:4](#[C:5][H:11])[H:10],"InChI=1S/C4H5NO/c1-4-5-2-3-6-4/h2-3H,1H3",InChI=1S/C2H3NO.C2H2/c1-3-2-4;1-2/h1H3;1-2H,98.46661999999999,44.13534,
255,[C:1]([c:2]1[n:3][c:4]([H:10])[c:5]([H:11])[o:6]1)([H:7])([H:8])[H:9],[C:1](=[C:2]1[N:3]=[C:4]([H:10])[C:5]([H:7])([H:11])[O:6]1)([H:8])[H:9],"InChI=1S/C4H5NO/c1-4-5-2-3-6-4/h2-3H,1H3","InChI=1S/C4H5NO/c1-4-5-2-3-6-4/h2H,1,3H2",83.00559,19.24881,
256,[C:1]([c:2]1[n:3][c:4]([H:10])[c:5]([H:11])[o:6]1)([H:7])([H:8])[H:9],[C:1](=[C:2]1[N:3]([H:7])[C:4]([H:10])=[C:5]([H:11])[O:6]1)([H:8])[H:9],"InChI=1S/C4H5NO/c1-4-5-2-3-6-4/h2-3H,1H3","InChI=1S/C4H5NO/c1-4-5-2-3-6-4/h2-3,5H,1H2",74.1552,25.0175,
257,[C:1]([c:2]1[n:3][c:4]([H:10])[c:5]([H:11])[o:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]([N:3]1[C:4]([H:10])=[C:5]1[H:11])=[O:6])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-4-5-2-3-6-4/h2-3H,1H3","InChI=1S/C4H5NO/c1-4(6)5-2-3-5/h2-3H,1H3",78.63193000000001,72.84281,ketoenol
258,[C:1]([c:2]1[n:3][c:4]([H:10])[c:5]([H:11])[o:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]#[N:3])([H:7])([H:8])[H:9].[C:4](=[C:5]=[O:6])([H:10])[H:11],"InChI=1S/C4H5NO/c1-4-5-2-3-6-4/h2-3H,1H3",InChI=1S/C2H3N.C2H2O/c2*1-2-3/h1H3;1H2,74.13897,21.09958,
259,[C:1]([c:2]1[n:3][c:4]([H:10])[c:5]([H:11])[o:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]1=[N:3][C:4]([H:10])([H:11])[C-:5]=[O+:6]1)([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-4-5-2-3-6-4/h2-3H,1H3","InChI=1S/C4H5NO/c1-4-5-2-3-6-4/h2H2,1H3",63.72165,54.87356,Singlet_Carbene_Intra_Disproportionation
260,[C:1]([c:2]1[n:3][c:4]([H:10])[c:5]([H:11])[o:6]1)([H:7])([H:8])[H:9],[C:1]([O:6]/[C:5](=[C:4](\[N+:3]#[C-:2])[H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-4-5-2-3-6-4/h2-3H,1H3","InChI=1S/C4H5NO/c1-5-3-4-6-2/h3-4H,2H3/b4-3-",94.57754,50.045390000000005,
261,[C:1]([c:2]1[n:3][c:4]([H:10])[c:5]([H:11])[o:6]1)([H:7])([H:8])[H:9],[C:1]([c:2]1[n:3]([H:10])[c-:4][c:5]([H:11])[o+:6]1)([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-4-5-2-3-6-4/h2-3H,1H3","InChI=1S/C4H5NO/c1-4-5-2-3-6-4/h3,5H,1H3",84.8371,49.154509999999995,
262,[C:1]([c:2]1[n:3][c:4]([H:10])[c:5]([H:11])[o:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]([N:3]=[C:4]=[C:5]([H:10])[H:11])=[O:6])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-4-5-2-3-6-4/h2-3H,1H3","InChI=1S/C4H5NO/c1-3-5-4(2)6/h1H2,2H3",73.68585,17.349970000000003,
263,[C:1]([c:2]1[n:3][c:4]([H:10])[c:5]([H:11])[o:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]#[N+:3][C:4](=[C-:5][O:6][H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-4-5-2-3-6-4/h2-3H,1H3","InChI=1S/C4H5NO/c1-2-5-3-4-6/h3,6H,1H3",96.57421,79.9301,
264,[C:1]([c:2]1[n:3][c:4]([H:10])[c:5]([H:11])[o:6]1)([H:7])([H:8])[H:9],[C:1](=[C:2]1[N-:3][C:4]([H:10])=[C:5]=[O+:6]1)([H:8])[H:9].[H:7][H:11],"InChI=1S/C4H5NO/c1-4-5-2-3-6-4/h2-3H,1H3","InChI=1S/C4H3NO.H2/c1-4-5-2-3-6-4;/h2H,1H2;1H",123.27963000000001,86.35444,
265,[O:1]([C:2]([C@@:3]([O:4][H:11])([C:5]#[C:6][H:12])[H:10])([H:8])[H:9])[H:7],[O:1]([C:2]([C@@:3]1([H:10])[C:5]([O:4][H:11])=[C:6]1[H:12])([H:8])[H:9])[H:7],"InChI=1S/C4H6O2/c1-2-4(6)3-5/h1,4-6H,3H2/t4-/m0/s1","InChI=1S/C4H6O2/c5-2-3-1-4(3)6/h1,3,5-6H,2H2/t3-/m0/s1",64.64893000000001,10.39672,
266,[O:1]([C:2]([C@@:3]([O:4][H:11])([C:5]#[C:6][H:12])[H:10])([H:8])[H:9])[H:7],[O:1]([C:2]([C:3](=[C:5]=[C:6]([O:4][H:11])[H:12])[H:10])([H:8])[H:9])[H:7],"InChI=1S/C4H6O2/c1-2-4(6)3-5/h1,4-6H,3H2/t4-/m0/s1","InChI=1S/C4H6O2/c5-3-1-2-4-6/h1,4-6H,3H2",57.94973,-5.9604800000000004,
267,[O:1]([C:2]([C@@:3]([O:4][H:11])([C:5]#[C:6][H:12])[H:10])([H:8])[H:9])[H:7],[O:1]([C:2]([C@@:3]([O:4][H:11])([C:6](=[C:5])[H:12])[H:10])([H:8])[H:9])[H:7],"InChI=1S/C4H6O2/c1-2-4(6)3-5/h1,4-6H,3H2/t4-/m0/s1","InChI=1S/C4H6O2/c1-2-4(6)3-5/h2,4-6H,3H2/t4-/m0/s1",55.75326,44.06416,Singlet_Carbene_Intra_Disproportionation
268,[O:1]([C:2]([C@@:3]([O:4][H:11])([C:5]#[C:6][H:12])[H:10])([H:8])[H:9])[H:7],[O:1]([C:2](/[C:3]([O:4][H:11])=[C:5](/[C:6][H:12])[H:10])([H:8])[H:9])[H:7],"InChI=1S/C4H6O2/c1-2-4(6)3-5/h1,4-6H,3H2/t4-/m0/s1","InChI=1S/C4H6O2/c1-2-4(6)3-5/h1-2,5-6H,3H2/b4-2-",60.231190000000005,39.625859999999996,
269,[O:1]([C:2]([C@@:3]([O:4][H:11])([C:5]#[C:6][H:12])[H:10])([H:8])[H:9])[H:7],[C:3]([O:4][H:11])(=[C:5]=[C:6]([H:7])[H:12])[H:10].[O:1]=[C:2]([H:8])[H:9],"InChI=1S/C4H6O2/c1-2-4(6)3-5/h1,4-6H,3H2/t4-/m0/s1","InChI=1S/C3H4O.CH2O/c1-2-3-4;1-2/h3-4H,1H2;1H2",23.63974,9.72364,Retroene
270,[O:1]([C:2]([C@@:3]([O:4][H:11])([C:5]#[C:6][H:12])[H:10])([H:8])[H:9])[H:7],[O:1]1[C:2]([H:8])([H:9])[C@:3]([O:4][H:11])([H:10])[C:5]1=[C:6]([H:7])[H:12],"InChI=1S/C4H6O2/c1-2-4(6)3-5/h1,4-6H,3H2/t4-/m0/s1","InChI=1S/C4H6O2/c1-3-4(5)2-6-3/h4-5H,1-2H2/t4-/m1/s1",69.98874,-9.2558,
271,[O:1]([C:2]([C@@:3]([O:4][H:11])([C:5]#[C:6][H:12])[H:10])([H:8])[H:9])[H:7],[O:1](/[C:6](=[C:5]1\[C:2]([H:8])([H:9])[C@:3]1([O:4][H:11])[H:10])[H:12])[H:7],"InChI=1S/C4H6O2/c1-2-4(6)3-5/h1,4-6H,3H2/t4-/m0/s1","InChI=1S/C4H6O2/c5-2-3-1-4(3)6/h2,4-6H,1H2/b3-2+/t4-/m1/s1",57.41123,-5.77391,
272,[O:1]([C:2]([C@@:3]([O:4][H:11])([C:5]#[C:6][H:12])[H:10])([H:8])[H:9])[H:7],[O:1]([C:2](/[C:5](=[C:3](\[O:4][H:11])[H:10])[C:6][H:12])([H:8])[H:9])[H:7],"InChI=1S/C4H6O2/c1-2-4(6)3-5/h1,4-6H,3H2/t4-/m0/s1","InChI=1S/C4H6O2/c1-4(2-5)3-6/h1-2,5-6H,3H2/b4-2-",60.405590000000004,42.85239,
273,[O:1]([C:2]([C@@:3]([O:4][H:11])([C:5]#[C:6][H:12])[H:10])([H:8])[H:9])[H:7],[C:3]([O:4][H:7])([C:5]#[C:6][H:12])([H:10])[H:11].[O:1]=[C:2]([H:8])[H:9],"InChI=1S/C4H6O2/c1-2-4(6)3-5/h1,4-6H,3H2/t4-/m0/s1","InChI=1S/C3H4O.CH2O/c1-2-3-4;1-2/h1,4H,3H2;1H2",78.66251,19.9917,
274,[O:1]([C:2]([C@@:3]([O:4][H:11])([C:5]#[C:6][H:12])[H:10])([H:8])[H:9])[H:7],[C:2]([C@@:3]([O:4][H:11])([C:5]#[C:6][H:12])[H:10])[H:8].[O:1]([H:7])[H:9],"InChI=1S/C4H6O2/c1-2-4(6)3-5/h1,4-6H,3H2/t4-/m0/s1","InChI=1S/C4H4O.H2O/c1-3-4(2)5;/h1-2,4-5H;1H2/t4-;/m1./s1",77.27983,9.342310000000001,
275,[O:1]=[C:2]([C@@:3]1([H:7])[C:4]([H:8])([H:9])[O:5]1)[H:6],[O:1](/[C:2](=[C:3]1\[C:4]([H:8])([H:9])[O:5]1)[H:6])[H:7],"InChI=1S/C3H4O2/c4-1-3-2-5-3/h1,3H,2H2/t3-/m0/s1","InChI=1S/C3H4O2/c4-1-3-2-5-3/h1,4H,2H2/b3-1+",65.25886,15.96134,ketoenol
276,[O:1]=[C:2]([C@@:3]1([H:7])[C:4]([H:8])([H:9])[O:5]1)[H:6],[O:1]=[C:2]([C:3]([O+:5]=[C-:4][H:9])([H:7])[H:8])[H:6],"InChI=1S/C3H4O2/c4-1-3-2-5-3/h1,3H,2H2/t3-/m0/s1","InChI=1S/C3H4O2/c1-5-3-2-4/h1-2H,3H2",75.84781,50.99708,
277,[O:1]=[C:2]([C@@:3]1([H:7])[C:4]([H:8])([H:9])[O:5]1)[H:6],[O:1]=[C:2]([C:4]([C:3](=[O:5])[H:7])([H:8])[H:9])[H:6],"InChI=1S/C3H4O2/c4-1-3-2-5-3/h1,3H,2H2/t3-/m0/s1","InChI=1S/C3H4O2/c4-2-1-3-5/h2-3H,1H2",70.09227,-21.21377,
278,[O:1]=[C:2]([C@@:3]1([H:7])[C:4]([H:8])([H:9])[O:5]1)[H:6],[O-:1][C:2](=[C:3]=[O+:5][C:4]([H:7])([H:8])[H:9])[H:6],"InChI=1S/C3H4O2/c4-1-3-2-5-3/h1,3H,2H2/t3-/m0/s1","InChI=1S/C3H4O2/c1-5-3-2-4/h2H,1H3",73.59198,39.491440000000004,
279,[O:1]=[C:2]([C@@:3]1([H:7])[C:4]([H:8])([H:9])[O:5]1)[H:6],[O-:1][C:2](=[C:3]([O+:5]=[C:4]([H:8])[H:9])[H:7])[H:6],"InChI=1S/C3H4O2/c4-1-3-2-5-3/h1,3H,2H2/t3-/m0/s1","InChI=1S/C3H4O2/c1-5-3-2-4/h2-3H,1H2",37.27466,26.8516,
280,[O:1]=[C:2]([C@@:3]1([H:7])[C:4]([H:8])([H:9])[O:5]1)[H:6],[O-:1][C:2](=[C+:3][C:4]([O:5][H:7])([H:8])[H:9])[H:6],"InChI=1S/C3H4O2/c4-1-3-2-5-3/h1,3H,2H2/t3-/m0/s1","InChI=1S/C3H4O2/c4-2-1-3-5/h2,5H,3H2",65.08479,55.425309999999996,
281,[O:1]=[C:2]([C@@:3]1([H:7])[C:4]([H:8])([H:9])[O:5]1)[H:6],[O:1]([C-:2]([C@@:3]1([H:7])[C:4]([H:9])=[O+:5]1)[H:6])[H:8],"InChI=1S/C3H4O2/c4-1-3-2-5-3/h1,3H,2H2/t3-/m0/s1",InChI=1S/C3H4O2/c4-1-3-2-5-3/h1-4H/t3-/m0/s1,95.85208,58.19461999999999,
282,[O:1]=[C:2]([C@@:3]1([H:7])[C:4]([H:8])([H:9])[O:5]1)[H:6],[H:8][H:9].[O:1]=[C:2]([C@@:3]1([H:7])[C-:4]=[O+:5]1)[H:6],"InChI=1S/C3H4O2/c4-1-3-2-5-3/h1,3H,2H2/t3-/m0/s1","InChI=1S/C3H2O2.H2/c4-1-3-2-5-3;/h1,3H;1H/t3-;/m0./s1",77.72925,63.19865,
283,[O:1]=[C:2]([C@@:3]1([H:7])[C:4]([H:8])([H:9])[O:5]1)[H:6],[O:1]([C:2][C@@:3]1([H:7])[C:4]([H:8])([H:9])[O:5]1)[H:6],"InChI=1S/C3H4O2/c4-1-3-2-5-3/h1,3H,2H2/t3-/m0/s1","InChI=1S/C3H4O2/c4-1-3-2-5-3/h3-4H,2H2/t3-/m0/s1",81.2483,54.173019999999994,
284,[O:1]=[C:2]([C@@:3]1([H:7])[C:4]([H:8])([H:9])[O:5]1)[H:6],[O:1]=[C:2]=[C:3]([C:4]([O:5][H:6])([H:8])[H:9])[H:7],"InChI=1S/C3H4O2/c4-1-3-2-5-3/h1,3H,2H2/t3-/m0/s1","InChI=1S/C3H4O2/c4-2-1-3-5/h1,4H,2H2",65.63743000000001,-16.421329999999998,
285,[O:1]=[C:2]([C@@:3]1([H:7])[C:4]([H:8])([H:9])[O:5]1)[H:6],[O:1]=[C:2]([C@@:3]([C:4][H:9])([O:5][H:8])[H:7])[H:6],"InChI=1S/C3H4O2/c4-1-3-2-5-3/h1,3H,2H2/t3-/m0/s1","InChI=1S/C3H4O2/c1-3(5)2-4/h1-3,5H/t3-/m1/s1",69.6022,67.77144,
286,[O:1]=[C:2]([C@@:3]1([H:7])[C:4]([H:8])([H:9])[O:5]1)[H:6],[O+:1](=[C-:2][H:6])[C@@:3]1([H:7])[C:4]([H:8])([H:9])[O:5]1,"InChI=1S/C3H4O2/c4-1-3-2-5-3/h1,3H,2H2/t3-/m0/s1","InChI=1S/C3H4O2/c1-4-3-2-5-3/h1,3H,2H2/t3-/m1/s1",100.271,66.00555,
287,[O:1]([C:2]([C:3](=[O:4])[C:5]#[N:6])([H:8])[H:9])[H:7],[C-:3]#[O+:4].[C:5](#[N:6])[H:7].[O:1]=[C:2]([H:8])[H:9],"InChI=1S/C3H3NO2/c4-1-3(6)2-5/h5H,2H2",InChI=1S/CHN.CH2O.CO/c3*1-2/h1H;1H2;,38.26356,20.84327,
288,[O:1]([C:2]([C:3](=[O:4])[C:5]#[N:6])([H:8])[H:9])[H:7],[O:1]([C:2]([N:6]=[C:5]=[C:3]=[O:4])([H:8])[H:9])[H:7],"InChI=1S/C3H3NO2/c4-1-3(6)2-5/h5H,2H2","InChI=1S/C3H3NO2/c5-2-1-4-3-6/h6H,3H2",64.62909,36.67411,
289,[O:1]([C:2]([C:3](=[O:4])[C:5]#[N:6])([H:8])[H:9])[H:7],[O:1]=[C:2]([C@@:3]([O:4][H:7])([C:5]#[N:6])[H:9])[H:8],"InChI=1S/C3H3NO2/c4-1-3(6)2-5/h5H,2H2","InChI=1S/C3H3NO2/c4-1-3(6)2-5/h2-3,6H/t3-/m0/s1",37.57995,2.2714,
290,[O:1]([C:2]([C:3](=[O:4])[C:5]#[N:6])([H:8])[H:9])[H:7],[O:1]([C:2]([C:3](=[O:4])[N+:6]#[C-:5])([H:8])[H:9])[H:7],"InChI=1S/C3H3NO2/c4-1-3(6)2-5/h5H,2H2","InChI=1S/C3H3NO2/c1-4-3(6)2-5/h5H,2H2",42.87923,17.57197,
291,[O:1]([C:2]([C:3](=[O:4])[C:5]#[N:6])([H:8])[H:9])[H:7],[O:1]1[C:2]([H:8])([H:9])[C@@:3]1([O:4][H:7])[C:5]#[N:6],"InChI=1S/C3H3NO2/c4-1-3(6)2-5/h5H,2H2","InChI=1S/C3H3NO2/c4-1-3(5)2-6-3/h5H,2H2/t3-/m1/s1",50.41852,18.38275,
292,[O:1]([C:2]([C:3](=[O:4])[C:5]#[N:6])([H:8])[H:9])[H:7],[O:1]([C+:2]([C:3](=[O:4])[C:5](=[N-:6])[H:9])[H:8])[H:7],"InChI=1S/C3H3NO2/c4-1-3(6)2-5/h5H,2H2","InChI=1S/C3H3NO2/c4-1-3(6)2-5/h1-2,5H",53.158640000000005,54.92046,
293,[O:1]([C:2]([C:3](=[O:4])[C:5]#[N:6])([H:8])[H:9])[H:7],[H:7][H:9].[O:1]=[C:2]([C:3](=[O:4])[C:5]#[N:6])[H:8],"InChI=1S/C3H3NO2/c4-1-3(6)2-5/h5H,2H2",InChI=1S/C3HNO2.H2/c4-1-3(6)2-5;/h2H;1H,90.67945,30.48961,
294,[O:1]([C:2]([C:3](=[O:4])[C:5]#[N:6])([H:8])[H:9])[H:7],[O:1](/[C:2](=[C:3](\[O:4][H:7])[C:5]#[N:6])[H:8])[H:9],"InChI=1S/C3H3NO2/c4-1-3(6)2-5/h5H,2H2","InChI=1S/C3H3NO2/c4-1-3(6)2-5/h2,5-6H/b3-2-",58.94634,-0.12480999999999999,ketoenol
295,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])=[C:6]1[H:16])([H:7])([H:8])[H:9],[C:1]([C:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])=[C:5]([H:15])[C:6]1([H:14])[H:16])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-6-4-2-3-5-6/h2,4,6H,3,5H2,1H3/t6-/m1/s1","InChI=1S/C6H10/c1-6-4-2-3-5-6/h2-3,6H,4-5H2,1H3",75.84278,-0.06738999999999999,
296,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])=[C:6]1[H:16])([H:7])([H:8])[H:9],[C:1](/[C:2](=[C:6](/[C:5]1([H:15])[C:3]([H:11])([H:12])[C:4]1([H:13])[H:14])[H:16])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-6-4-2-3-5-6/h2,4,6H,3,5H2,1H3/t6-/m1/s1","InChI=1S/C6H10/c1-2-3-6-4-5-6/h2-3,6H,4-5H2,1H3/b3-2+",66.6437,19.37916,
297,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])=[C:6]1[H:16])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C@@:3]([C:4]([H:11])([H:13])[H:14])([H:12])[C:5]([H:15])=[C:6]1[H:16])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-6-4-2-3-5-6/h2,4,6H,3,5H2,1H3/t6-/m1/s1","InChI=1S/C6H10/c1-5-3-4-6(5)2/h3-6H,1-2H3/t5-,6-/m1/s1",129.90018999999998,21.74107,
298,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])=[C:6]1[H:16])([H:7])([H:8])[H:9],[C:1]1([H:7])([H:8])[C@@:2]2([H:10])[C:3]([H:11])([H:12])[C:4]([H:14])=[C:5]([H:15])[C@@:6]12[H:16].[H:9][H:13],"InChI=1S/C6H10/c1-6-4-2-3-5-6/h2,4,6H,3,5H2,1H3/t6-/m1/s1","InChI=1S/C6H8.H2/c1-2-5-4-6(5)3-1;/h1-2,5-6H,3-4H2;1H/t5-,6+;/m0./s1",82.68975999999999,36.00365,
299,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])=[C:6]1[H:16])([H:7])([H:8])[H:9],[C:1]([C:2]1=[C:6]([H:16])[C:5]([H:15])=[C:4]([H:13])[C:3]1([H:11])[H:12])([H:7])([H:8])[H:9].[H:10][H:14],"InChI=1S/C6H10/c1-6-4-2-3-5-6/h2,4,6H,3,5H2,1H3/t6-/m1/s1","InChI=1S/C6H8.H2/c1-6-4-2-3-5-6;/h2-4H,5H2,1H3;1H",48.65606,21.10749,
300,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])=[C:6]1[H:16])([H:7])([H:8])[H:9],[C:1]([C:2]1=[C:6]([H:16])[C:5]([H:10])([H:15])[C:4]([H:13])([H:14])[C:3]1([H:11])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-6-4-2-3-5-6/h2,4,6H,3,5H2,1H3/t6-/m1/s1","InChI=1S/C6H10/c1-6-4-2-3-5-6/h4H,2-3,5H2,1H3",72.47704,-3.1099200000000002,
301,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])=[C:6]1[H:16])([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:13].[C:2]1([H:10])=[C:6]([H:16])[C:5]([H:15])=[C:4]([H:14])[C:3]1([H:11])[H:12],"InChI=1S/C6H10/c1-6-4-2-3-5-6/h2,4,6H,3,5H2,1H3/t6-/m1/s1","InChI=1S/C5H6.CH4/c1-2-4-5-3-1;/h1-4H,5H2;1H4",63.7471,11.4277,
302,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])=[C:6]1[H:16])([H:7])([H:8])[H:9],[C:1]([C@@:2]([C:3]([C:4]([H:13])([H:14])[H:15])([H:11])[H:12])([C:6](=[C:5])[H:16])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-6-4-2-3-5-6/h2,4,6H,3,5H2,1H3/t6-/m1/s1","InChI=1S/C6H10/c1-4-6(3)5-2/h5-6H,4H2,1,3H3/t6-/m0/s1",75.93921999999999,76.89931999999999,
303,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])=[C:6]1[H:16])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C:5][C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-6-4-2-3-5-6/h2,4,6H,3,5H2,1H3/t6-/m1/s1","InChI=1S/C6H10/c1-6-4-2-3-5-6/h6H,2,4-5H2,1H3/t6-/m0/s1",69.39879,70.98963,Singlet_Carbene_Intra_Disproportionation
304,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])=[C:6]1[H:16])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:14])=[C:5]=[C:6]1[H:16])([H:7])([H:8])[H:9].[H:13][H:15],"InChI=1S/C6H10/c1-6-4-2-3-5-6/h2,4,6H,3,5H2,1H3/t6-/m1/s1","InChI=1S/C6H8.H2/c1-6-4-2-3-5-6;/h2,5-6H,4H2,1H3;1H/t6-;/m0./s1",97.0441,88.81199000000001,
305,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])=[C:6]1[H:16])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:6]1([C:5](=[C:4]([H:13])[H:14])[H:15])[H:16])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-6-4-2-3-5-6/h2,4,6H,3,5H2,1H3/t6-/m1/s1","InChI=1S/C6H10/c1-3-6-4-5(6)2/h3,5-6H,1,4H2,2H3/t5-,6+/m0/s1",67.17258000000001,20.477,
306,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])=[C:6]1[H:16])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])([H:16])[C:6]1)([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-6-4-2-3-5-6/h2,4,6H,3,5H2,1H3/t6-/m1/s1","InChI=1S/C6H10/c1-6-4-2-3-5-6/h6H,2-4H2,1H3/t6-/m0/s1",69.1724,70.85481,Singlet_Carbene_Intra_Disproportionation
307,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])=[C:6]1[H:16])([H:7])([H:8])[H:9],[C-:2]1=[C:6]([H:16])[C+:5]([H:15])[C:4]([H:13])([H:14])[C:3]1([H:11])[H:12].[C:1]([H:7])([H:8])([H:9])[H:10],"InChI=1S/C6H10/c1-6-4-2-3-5-6/h2,4,6H,3,5H2,1H3/t6-/m1/s1","InChI=1S/C5H6.CH4/c1-2-4-5-3-1;/h1-2H,3,5H2;1H4",74.61928,78.91192,
308,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])=[C:6]1[H:16])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:6]=[C:5]([C:4]([C:3]([H:11])([H:12])[H:16])([H:13])[H:14])[H:15])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-6-4-2-3-5-6/h2,4,6H,3,5H2,1H3/t6-/m1/s1","InChI=1S/C6H10/c1-3-5-6-4-2/h3,6H,4H2,1-2H3",122.311,19.879170000000002,
309,[C:1]([C:2]#[C:3][C:4]([C:5]#[N:6])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]=[C:3]=[C:4]([C:5]#[N:6])[H:11])([H:7])[H:9].[H:8][H:10],"InChI=1S/C5H5N/c1-2-3-4-5-6/h4H2,1H3","InChI=1S/C5H3N.H2/c1-2-3-4-5-6;/h4H,1H2;1H",67.663,28.947709999999997,
310,[C:1]([C:2]#[C:3][C:4]([C:5]#[N:6])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]#[C:3][C:4](=[C:5]=[N:6][H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H5N/c1-2-3-4-5-6/h4H2,1H3","InChI=1S/C5H5N/c1-2-3-4-5-6/h4,6H,1H3",70.6966,12.189,
311,[C:1]([C:2]#[C:3][C:4]([C:5]#[N:6])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]=[C:3]=[C:4]([H:10])[H:11])([H:7])[H:9].[C:5](#[N:6])[H:8],"InChI=1S/C5H5N/c1-2-3-4-5-6/h4H2,1H3",InChI=1S/C4H4.CHN/c1-3-4-2;1-2/h1-2H2;1H,64.80523000000001,28.186790000000002,
312,[C:1]([C:2]#[C:3][C:4]([C:5]#[N:6])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3])[C:4]([C:5]#[N:6])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H5N/c1-2-3-4-5-6/h4H2,1H3","InChI=1S/C5H5N/c1-5(2)3-4-6/h3H2,1H3",57.091680000000004,56.00316,
313,[C:1]([C:2]#[C:3][C:4]([C:5]#[N:6])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]=[C:3]([C:4]([C:5]#[N:6])([H:10])[H:11])[H:8])([H:7])[H:9],"InChI=1S/C5H5N/c1-2-3-4-5-6/h4H2,1H3","InChI=1S/C5H5N/c1-2-3-4-5-6/h3H,1,4H2",110.0546,-2.20962,
314,[C:1]([C:2]#[C:3][C:4]([C:5]#[N:6])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]#[C:3][C:4]([N+:6]#[C-:5])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H5N/c1-2-3-4-5-6/h4H2,1H3","InChI=1S/C5H5N/c1-3-4-5-6-2/h5H2,1H3",57.395630000000004,26.813340000000004,
315,[c:1]1([H:7])[c:2]([H:8])[n:3][c:4]([H:9])[c:5]([H:10])[n:6]1,[C:1](=[C:2]([N+:3]#[C:4][H:9])[H:8])([N:6]=[C-:5][H:10])[H:7],InChI=1S/C4H4N2/c1-2-6-4-3-5-1/h1-4H,InChI=1S/C4H4N2/c1-5-3-4-6-2/h1-4H,85.86099,90.07168,
316,[c:1]1([H:7])[c:2]([H:8])[n:3][c:4]([H:9])[c:5]([H:10])[n:6]1,[C:1]1([H:7])=[N+:6]=[C:5]=[C:4]([H:9])[N-:3][C:2]1([H:8])[H:10],InChI=1S/C4H4N2/c1-2-6-4-3-5-1/h1-4H,"InChI=1S/C4H4N2/c1-2-6-4-3-5-1/h1,4H,2H2",102.14747,69.44848,
317,[c:1]1([H:7])[c:2]([H:8])[n:3][c:4]([H:9])[c:5]([H:10])[n:6]1,[C:1]1([H:7])=[C+:2][N:3]([H:8])[C:4]([H:9])=[C:5]([H:10])[N-:6]1,InChI=1S/C4H4N2/c1-2-6-4-3-5-1/h1-4H,"InChI=1S/C4H4N2/c1-2-6-4-3-5-1/h1-3,6H",85.65077,48.34197,
318,[c:1]1([H:7])[c:2]([H:8])[n:3][c:4]([H:9])[c:5]([H:10])[n:6]1,[C-:1](=[N+:6]=[C:5]([C@:4]1([H:9])[C:2]([H:8])=[N:3]1)[H:10])[H:7],InChI=1S/C4H4N2/c1-2-6-4-3-5-1/h1-4H,InChI=1S/C4H4N2/c1-5-2-4-3-6-4/h1-4H/t4-/m1/s1,100.86916,92.79035,
319,[c:1]1([H:7])[c:2]([H:8])[n:3][c:4]([H:9])[c:5]([H:10])[n:6]1,[C:1](#[C:2][H:8])[H:7].[C:5](#[N:6])[H:10].[N:3]#[C:4][H:9],InChI=1S/C4H4N2/c1-2-6-4-3-5-1/h1-4H,InChI=1S/C2H2.2CHN/c3*1-2/h1-2H;2*1H,117.42969,81.21513,
320,[c:1]1([H:7])[c:2]([H:8])[n:3][c:4]([H:9])[c:5]([H:10])[n:6]1,[c:1]1([H:7])[c:2]([H:8])[n:3]2[c:4]([H:9])[c:5]([H:10])[n:6]12,InChI=1S/C4H4N2/c1-2-6-4-3-5-1/h1-4H,InChI=1S/C4H4N2/c1-2-6-4-3-5(1)6/h1-4H,129.97195,103.90615,
321,[c:1]1([H:7])[c:2]([H:8])[n:3][c:4]([H:9])[c:5]([H:10])[n:6]1,[C:1](=[C:2](\[N:3]=[C:4]([H:9])[H:10])[H:8])(\[N+:6]#[C-:5])[H:7],InChI=1S/C4H4N2/c1-2-6-4-3-5-1/h1-4H,"InChI=1S/C4H4N2/c1-5-3-4-6-2/h3-4H,1H2/b4-3-",95.41925,53.018159999999995,
322,[c:1]1([H:7])[c:2]([H:8])[n:3][c:4]([H:9])[c:5]([H:10])[n:6]1,[C@:1]12([H:7])[C:2]([H:8])=[N:3][C@@:4]1([H:9])[C:5]([H:10])=[N:6]2,InChI=1S/C4H4N2/c1-2-6-4-3-5-1/h1-4H,"InChI=1S/C4H4N2/c1-3-4(5-1)2-6-3/h1-4H/t3-,4-/m0/s1",93.8671,73.90371,
323,[c:1]1([H:7])[c:2]([H:8])[n:3][c:4]([H:9])[c:5]([H:10])[n:6]1,[C-:1]#[N+:6]/[C:5](=[C:4](\[N+:3]#[C-:2])[H:9])[H:10].[H:7][H:8],InChI=1S/C4H4N2/c1-2-6-4-3-5-1/h1-4H,InChI=1S/C4H2N2.H2/c1-5-3-4-6-2;/h3-4H;1H/b4-3-;,114.68146000000002,87.35306,
324,[c:1]1([H:7])[c:2]([H:8])[n:3][c:4]([H:9])[c:5]([H:10])[n:6]1,[C:1]1([H:7])([H:8])[C:2]#[N+:3][C:4]([H:9])=[C:5]([H:10])[N-:6]1,InChI=1S/C4H4N2/c1-2-6-4-3-5-1/h1-4H,"InChI=1S/C4H4N2/c1-2-6-4-3-5-1/h1-2H,3H2",93.449,73.15536,Singlet_Carbene_Intra_Disproportionation
325,[c:1]1([H:7])[c:2]([H:8])[n:3][c:4]([H:9])[c:5]([H:10])[n:6]1,[C:1]1=[C:2]([H:8])[N:3]=[C:4]([H:9])[C:5]([H:7])([H:10])[N:6]=1,InChI=1S/C4H4N2/c1-2-6-4-3-5-1/h1-4H,"InChI=1S/C4H4N2/c1-2-6-4-3-5-1/h1,3H,2H2",113.03631999999999,68.28855,
326,[c:1]1([H:7])[c:2]([H:8])[n:3][c:4]([H:9])[c:5]([H:10])[n:6]1,[C:1]1=[C:2]([H:8])[N:3]([H:7])[C:4]([H:9])=[C:5]([H:10])[N:6]=1,InChI=1S/C4H4N2/c1-2-6-4-3-5-1/h1-4H,"InChI=1S/C4H4N2/c1-2-6-4-3-5-1/h1-3,5H",117.95353,60.49975,
327,[C:1]([C:2]([C:3]([C:4]([C:5]#[N:6])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([C:4]([N+:6]#[C-:5])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H9N/c1-2-3-4-5-6/h2-4H2,1H3","InChI=1S/C5H9N/c1-3-4-5-6-2/h3-5H2,1H3",59.656369999999995,26.26561,
328,[C:1]([C:2]([C:3]([C:4]([C:5]#[N:6])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]([H:10])[H:11])([H:8])[H:9].[C:3](=[C:4]([C:5]#[N:6])[H:15])([H:12])[H:13].[H:7][H:14],"InChI=1S/C5H9N/c1-2-3-4-5-6/h2-4H2,1H3","InChI=1S/C3H3N.C2H4.H2/c1-2-3-4;1-2;/h2H,1H2;1-2H2;1H",76.0032,53.70535,
329,[C:1]([C:2]([C:3]([C:4]([C:5]#[N:6])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:12])([H:13])[C:4]([H:14])([H:15])[C:5][N:6]1[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H9N/c1-2-3-4-5-6/h2-4H2,1H3","InChI=1S/C5H9N/c1-5-3-2-4-6-5/h5-6H,2-3H2,1H3/t5-/m0/s1",80.24774000000001,43.74258,
330,[C:1]([C:2]([C:3]([C:4]([C:5]#[N:6])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]([H:12])[H:13])[H:10])([H:7])([H:8])[H:9].[C:4](=[C:5]=[N:6][H:11])([H:14])[H:15],"InChI=1S/C5H9N/c1-2-3-4-5-6/h2-4H2,1H3","InChI=1S/C3H6.C2H3N/c1-3-2;1-2-3/h3H,1H2,2H3;3H,1H2",54.46865,39.579190000000004,Retroene
331,[C:1]([C:2]([C:3]([C:4]([C:5]#[N:6])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])/[C:5]1=[N:6]/[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H9N/c1-2-3-4-5-6/h2-4H2,1H3","InChI=1S/C5H9N/c1-2-4-3-5(4)6/h4,6H,2-3H2,1H3/b6-5-/t4-/m0/s1",105.63134,32.42174,
332,[C:1]([C:2]([C:3]([C:4]([C:5]#[N:6])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([N:6]=[C:5]=[C:4]([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H9N/c1-2-3-4-5-6/h2-4H2,1H3","InChI=1S/C5H9N/c1-3-5-6-4-2/h2-3,5H2,1H3",77.50549000000001,23.67237,
333,[C:1]([C:2]([C:3]([C:4]([C:5]#[N:6])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([C:4](=[C:5]=[N:6][H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H9N/c1-2-3-4-5-6/h2-4H2,1H3","InChI=1S/C5H9N/c1-2-3-4-5-6/h4,6H,2-3H2,1H3",82.37873,19.90881,
334,[C:1]([C:2]([C:3]([C:4]([C:5]#[N:6])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3](=[C:4]([H:14])[H:15])[H:12])([H:10])[H:11])([H:8])([H:9])[H:13].[C:5](#[N:6])[H:7],"InChI=1S/C5H9N/c1-2-3-4-5-6/h2-4H2,1H3","InChI=1S/C4H8.CHN/c1-3-4-2;1-2/h3H,1,4H2,2H3;1H",111.32762,28.62064,
335,[C:1]([N:2]1[C:3]([H:10])([H:11])[C@:4]1([C:5]#[N:6])[H:12])([H:7])([H:8])[H:9],[C:1]([N+:2]([C-:3]([H:10])[H:11])=[C:4]([C:5]#[N:6])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H6N2/c1-6-3-4(6)2-5/h4H,3H2,1H3/t4-,6?/m1/s1","InChI=1S/C4H6N2/c1-6(2)4-3-5/h4H,1H2,2H3",29.0476,6.0976,
336,[C:1]([N:2]1[C:3]([H:10])([H:11])[C@:4]1([C:5]#[N:6])[H:12])([H:7])([H:8])[H:9],[C:1]([N+:2]1([H:10])[C-:3]([H:11])[C@:4]1([C:5]#[N:6])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H6N2/c1-6-3-4(6)2-5/h4H,3H2,1H3/t4-,6?/m1/s1","InChI=1S/C4H6N2/c1-6-3-4(6)2-5/h3-4,6H,1H3/t4-/m1/s1",65.56184,52.802409999999995,
337,[C:1]([N:2]1[C:3]([H:10])([H:11])[C@:4]1([C:5]#[N:6])[H:12])([H:7])([H:8])[H:9],[C:1]([N:2]1[C+:3]([H:10])[C@:4]1([C-:5]=[N:6][H:11])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H6N2/c1-6-3-4(6)2-5/h4H,3H2,1H3/t4-,6?/m1/s1","InChI=1S/C4H6N2/c1-6-3-4(6)2-5/h3-5H,1H3/t4-,6?/m1/s1",123.91098999999998,81.23144,
338,[C:1]([N:2]1[C:3]([H:10])([H:11])[C@:4]1([C:5]#[N:6])[H:12])([H:7])([H:8])[H:9],[C-:1]([N+:2]1=[C:4]([C:5]#[N:6])[C:3]1([H:10])[H:11])([H:7])[H:9].[H:8][H:12],"InChI=1S/C4H6N2/c1-6-3-4(6)2-5/h4H,3H2,1H3/t4-,6?/m1/s1","InChI=1S/C4H4N2.H2/c1-6-3-4(6)2-5;/h1,3H2;1H",64.66093000000001,56.69535,
339,[C:1]([N:2]1[C:3]([H:10])([H:11])[C@:4]1([C:5]#[N:6])[H:12])([H:7])([H:8])[H:9],[C:1]([N:2]1[C:3]([H:10])([H:11])[C@:4]1([N+:6]#[C-:5])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H6N2/c1-6-3-4(6)2-5/h4H,3H2,1H3/t4-,6?/m1/s1","InChI=1S/C4H6N2/c1-5-4-3-6(4)2/h4H,3H2,2H3/t4-,6?/m0/s1",57.999280000000006,24.8182,
340,[C:1]([N:2]1[C:3]([H:10])([H:11])[C@:4]1([C:5]#[N:6])[H:12])([H:7])([H:8])[H:9],[C:1]([N+:2]1([C:5]#[N:6])[C:3]([H:10])([H:11])[C-:4]1[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H6N2/c1-6-3-4(6)2-5/h4H,3H2,1H3/t4-,6?/m1/s1","InChI=1S/C4H6N2/c1-6(4-5)2-3-6/h2H,3H2,1H3",74.72733000000001,71.3397,
341,[C:1]([N:2]1[C:3]([H:10])([H:11])[C@:4]1([C:5]#[N:6])[H:12])([H:7])([H:8])[H:9],[C:1]([N:2]([C:4](=[C:3]([H:10])[H:11])[H:12])[N+:6]#[C-:5])([H:7])([H:8])[H:9],"InChI=1S/C4H6N2/c1-6-3-4(6)2-5/h4H,3H2,1H3/t4-,6?/m1/s1","InChI=1S/C4H6N2/c1-4-6(3)5-2/h4H,1H2,3H3",115.49413999999999,36.45729,
342,[C:1]([N:2]1[C:3]([H:10])([H:11])[C@:4]1([C:5]#[N:6])[H:12])([H:7])([H:8])[H:9],[C:1]([N:2]1[C:3]([H:10])([H:11])[N:6]=[C:5]=[C:4]1[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H6N2/c1-6-3-4(6)2-5/h4H,3H2,1H3/t4-,6?/m1/s1","InChI=1S/C4H6N2/c1-6-3-2-5-4-6/h3H,4H2,1H3",88.61721999999999,42.4302,
343,[C:1]([N:2]1[C:3]([H:10])([H:11])[C@:4]1([C:5]#[N:6])[H:12])([H:7])([H:8])[H:9],[C:1]([N+:2]1=[C:4]([C:5](=[N-:6])[H:12])[C:3]1([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H6N2/c1-6-3-4(6)2-5/h4H,3H2,1H3/t4-,6?/m1/s1","InChI=1S/C4H6N2/c1-6-3-4(6)2-5/h2H,3H2,1H3",74.73729,52.51071999999999,
344,[C:1]([N:2]1[C:3]([H:10])([H:11])[C@:4]1([C:5]#[N:6])[H:12])([H:7])([H:8])[H:9],[C:1]([N+:2]1([H:12])[C:3]([H:10])([H:11])[C-:4]1[C:5]#[N:6])([H:7])([H:8])[H:9],"InChI=1S/C4H6N2/c1-6-3-4(6)2-5/h4H,3H2,1H3/t4-,6?/m1/s1","InChI=1S/C4H6N2/c1-6-3-4(6)2-5/h6H,3H2,1H3",65.08686,38.51395,
345,[C:1]([N:2]1[C:3]([H:10])([H:11])[C@:4]1([C:5]#[N:6])[H:12])([H:7])([H:8])[H:9],[C:1]([N:2]1[C:3]([H:10])([H:11])[C:4]1=[C:5]=[N:6][H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H6N2/c1-6-3-4(6)2-5/h4H,3H2,1H3/t4-,6?/m1/s1","InChI=1S/C4H6N2/c1-6-3-4(6)2-5/h5H,3H2,1H3",104.58218000000001,28.0176,
346,[C:1]([N:2]1[C:3]([H:10])([H:11])[C@:4]1([C:5]#[N:6])[H:12])([H:7])([H:8])[H:9],[C:1](/[N:6]=[C:5]1\[N:2]2[C:3]([H:10])([H:11])[C@:4]21[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H6N2/c1-6-3-4(6)2-5/h4H,3H2,1H3/t4-,6?/m1/s1","InChI=1S/C4H6N2/c1-5-4-3-2-6(3)4/h3H,2H2,1H3/b5-4-/t3-,6?/m0/s1",89.76487,31.541929999999997,
347,[C:1]([C@:2]12[C:3]([H:10])([H:11])[C@@:4]1([H:12])[O:5][C:6]2([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([C:4](=[O:5])[H:12])([H:10])[H:11])=[C:6]([H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-5-2-4(5)6-3-5/h4H,2-3H2,1H3/t4-,5-/m1/s1","InChI=1S/C5H8O/c1-5(2)3-4-6/h4H,1,3H2,2H3",31.55371,-35.19746,
348,[C:1]([C@:2]12[C:3]([H:10])([H:11])[C@@:4]1([H:12])[O:5][C:6]2([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]([C:2]1([C:4][H:12])[C:3]([H:10])([H:11])[O:5][C:6]1([H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-5-2-4(5)6-3-5/h4H,2-3H2,1H3/t4-,5-/m1/s1","InChI=1S/C5H8O/c1-5(2)3-6-4-5/h1H,3-4H2,2H3",100.86357,72.5808,
349,[C:1]([C@:2]12[C:3]([H:10])([H:11])[C@@:4]1([H:12])[O:5][C:6]2([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]([C@:2]1([H:13])[C:3]([H:10])([H:11])[C@:4]1([O+:5]=[C-:6][H:14])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-5-2-4(5)6-3-5/h4H,2-3H2,1H3/t4-,5-/m1/s1","InChI=1S/C5H8O/c1-4-3-5(4)6-2/h2,4-5H,3H2,1H3/t4-,5-/m1/s1",76.12685,44.05808,
350,[C:1]([C@:2]12[C:3]([H:10])([H:11])[C@@:4]1([H:12])[O:5][C:6]2([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]([C@:2]1([H:11])[C@:4]([C:3][H:10])([H:12])[O:5][C:6]1([H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-5-2-4(5)6-3-5/h4H,2-3H2,1H3/t4-,5-/m1/s1","InChI=1S/C5H8O/c1-4-3-6-5(4)2/h2,4-5H,3H2,1H3/t4-,5+/m0/s1",61.382619999999996,65.03914,
351,[C:1]([C@:2]12[C:3]([H:10])([H:11])[C@@:4]1([H:12])[O:5][C:6]2([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]([C@:2]12[C:3]([H:10])([H:11])[C@@:4]1([H:12])[O+:5]=[C-:6]2)([H:7])([H:8])[H:9].[H:13][H:14],"InChI=1S/C5H8O/c1-5-2-4(5)6-3-5/h4H,2-3H2,1H3/t4-,5-/m1/s1","InChI=1S/C5H6O.H2/c1-5-2-4(5)6-3-5;/h4H,2H2,1H3;1H/t4-,5-;/m1./s1",77.72157,71.96222,
352,[C:1]([C@:2]12[C:3]([H:10])([H:11])[C@@:4]1([H:12])[O:5][C:6]2([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]([C:2][C:6]([O:5][C:4](=[C:3]([H:10])[H:11])[H:12])([H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-5-2-4(5)6-3-5/h4H,2-3H2,1H3/t4-,5-/m1/s1","InChI=1S/C5H8O/c1-3-5-6-4-2/h4H,2,5H2,1H3",61.00904,55.54147,
353,[C:1]([C@:2]12[C:3]([H:10])([H:11])[C@@:4]1([H:12])[O:5][C:6]2([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]([C:2]1([C:3]([H:10])([H:11])[H:12])[C-:4]=[O+:5][C:6]1([H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-5-2-4(5)6-3-5/h4H,2-3H2,1H3/t4-,5-/m1/s1","InChI=1S/C5H8O/c1-5(2)3-6-4-5/h3H2,1-2H3",47.52347,27.770809999999997,
354,[C:1]([C@:2]12[C:3]([H:10])([H:11])[C@@:4]1([H:12])[O:5][C:6]2([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]([C:2]1=[C:4]([H:12])[C:3]1([H:10])[H:11])([H:7])([H:8])[H:9].[O:5]=[C:6]([H:13])[H:14],"InChI=1S/C5H8O/c1-5-2-4(5)6-3-5/h4H,2-3H2,1H3/t4-,5-/m1/s1","InChI=1S/C4H6.CH2O/c1-4-2-3-4;1-2/h2H,3H2,1H3;1H2",56.373419999999996,21.900129999999997,2+2_cycloaddition
355,[C:1]([C@:2]12[C:3]([H:10])([H:11])[C@@:4]1([H:12])[O:5][C:6]2([H:13])[H:14])([H:7])([H:8])[H:9],[C:1](=[C:2]1[C:3]([H:10])([H:11])[C@@:4]2([H:12])[O:5][C@@:6]12[H:14])([H:7])[H:8].[H:9][H:13],"InChI=1S/C5H8O/c1-5-2-4(5)6-3-5/h4H,2-3H2,1H3/t4-,5-/m1/s1","InChI=1S/C5H6O.H2/c1-3-2-4-5(3)6-4;/h4-5H,1-2H2;1H/t4-,5+;/m1./s1",86.69873,27.95441,
356,[C:1]([C@:2]12[C:3]([H:10])([H:11])[C@@:4]1([H:12])[O:5][C:6]2([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:12])[C:3]([H:10])([H:11])[C-:4]=[O+:5][C:6]1([H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-5-2-4(5)6-3-5/h4H,2-3H2,1H3/t4-,5-/m1/s1","InChI=1S/C5H8O/c1-5-2-3-6-4-5/h5H,2,4H2,1H3/t5-/m0/s1",52.326440000000005,8.09825,
357,[C:1]([C@:2]12[C:3]([H:10])([H:11])[C@@:4]1([H:12])[O:5][C:6]2([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]([C:2]1([C:3]([H:10])([H:11])[H:13])[C-:4]([H:12])[O+:5]=[C:6]1[H:14])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-5-2-4(5)6-3-5/h4H,2-3H2,1H3/t4-,5-/m1/s1","InChI=1S/C5H8O/c1-5(2)3-6-4-5/h3-4H,1-2H3",73.22419000000001,36.57936,
358,[C:1]([C@:2]12[C:3]([H:10])([H:11])[C@@:4]1([H:12])[O:5][C:6]2([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]([C@:2]1([C:6]([O:5][H:12])([H:13])[H:14])[C:3]([H:10])([H:11])[C:4]1)([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-5-2-4(5)6-3-5/h4H,2-3H2,1H3/t4-,5-/m1/s1","InChI=1S/C5H8O/c1-5(4-6)2-3-5/h6H,2,4H2,1H3/t5-/m0/s1",63.2209,58.50694,
359,[C:1]([C@:2]12[C:3]([H:10])([H:11])[C@@:4]1([H:12])[O:5][C:6]2([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]([C@@:4]1([H:12])[C:3]([H:10])([H:11])[C:2][C:6]([H:13])([H:14])[O:5]1)([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-5-2-4(5)6-3-5/h4H,2-3H2,1H3/t4-,5-/m1/s1","InChI=1S/C5H8O/c1-5-3-2-4-6-5/h5H,3-4H2,1H3/t5-/m0/s1",78.98658,37.67458,
360,[C:1]([C@:2]12[C:3]([H:10])([H:11])[C@@:4]1([H:12])[O:5][C:6]2([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]([C:2][C:3]([C@@:4]1([H:12])[O:5][C:6]1([H:13])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-5-2-4(5)6-3-5/h4H,2-3H2,1H3/t4-,5-/m1/s1","InChI=1S/C5H8O/c1-2-3-5-4-6-5/h5H,3-4H2,1H3/t5-/m1/s1",65.62239,65.49463,
361,[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([C:4]#[C:5][H:13])[H:9])([H:6])([H:7])[H:8],[C:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C:5]([H:12])([H:13])[C:4]1)([H:6])([H:7])[H:8],"InChI=1S/C5H8/c1-4-5(2)3/h1,5H,2-3H3","InChI=1S/C5H8/c1-5-3-2-4-5/h5H,2-3H2,1H3/t5-/m0/s1",92.18315,69.34066,
362,[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([C:4]#[C:5][H:13])[H:9])([H:6])([H:7])[H:8],[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])=[C:4]=[C:5]([H:9])[H:13])([H:6])([H:7])[H:8],"InChI=1S/C5H8/c1-4-5(2)3/h1,5H,2-3H3","InChI=1S/C5H8/c1-4-5(2)3/h1H2,2-3H3",67.83749,-8.37089,
363,[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([C:4]#[C:5][H:13])[H:9])([H:6])([H:7])[H:8],[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([C:5](=[C:4])[H:13])[H:9])([H:6])([H:7])[H:8],"InChI=1S/C5H8/c1-4-5(2)3/h1,5H,2-3H3","InChI=1S/C5H8/c1-4-5(2)3/h4-5H,2-3H3",57.49061,51.600629999999995,Singlet_Carbene_Intra_Disproportionation
364,[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([C:4]#[C:5][H:13])[H:9])([H:6])([H:7])[H:8],[C:1](/[C:2](=[C:4](/[C:3]([H:10])([H:11])[H:12])[C:5][H:13])[H:9])([H:6])([H:7])[H:8],"InChI=1S/C5H8/c1-4-5(2)3/h1,5H,2-3H3","InChI=1S/C5H8/c1-4-5(2)3/h2,4H,1,3H3/b5-4+",76.73764,55.760619999999996,
365,[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([C:4]#[C:5][H:13])[H:9])([H:6])([H:7])[H:8],[C:1]1([H:7])([H:8])[C@:2]([C:3]([H:10])([H:11])[H:12])([H:9])[C@:4]1([C:5][H:13])[H:6],"InChI=1S/C5H8/c1-4-5(2)3/h1,5H,2-3H3","InChI=1S/C5H8/c1-4-3-5(4)2/h1,4-5H,3H2,2H3/t4-,5+/m0/s1",86.45796999999999,64.71086,
366,[C:1]([C@@:2]1([H:10])[O:3][C:4]([H:11])([H:12])[C:5]([H:13])=[C:6]1[H:14])([H:7])([H:8])[H:9],[C:1]([C:2]1=[O+:3][C:4]([H:11])([H:12])[C-:5]([H:13])[C:6]1([H:10])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-5-3-2-4-6-5/h2-3,5H,4H2,1H3/t5-/m1/s1","InChI=1S/C5H8O/c1-5-3-2-4-6-5/h2H,3-4H2,1H3",63.836090000000006,67.52292,
367,[C:1]([C@@:2]1([H:10])[O:3][C:4]([H:11])([H:12])[C:5]([H:13])=[C:6]1[H:14])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[O:3][C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]1)([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-5-3-2-4-6-5/h2-3,5H,4H2,1H3/t5-/m1/s1","InChI=1S/C5H8O/c1-5-3-2-4-6-5/h5H,2,4H2,1H3/t5-/m1/s1",66.97856999999999,68.6132,Singlet_Carbene_Intra_Disproportionation
368,[C:1]([C@@:2]1([H:10])[O:3][C:4]([H:11])([H:12])[C:5]([H:13])=[C:6]1[H:14])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[O:3][C:4]([H:11])([H:12])[C:5][C:6]1([H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-5-3-2-4-6-5/h2-3,5H,4H2,1H3/t5-/m1/s1","InChI=1S/C5H8O/c1-5-3-2-4-6-5/h5H,3-4H2,1H3/t5-/m1/s1",66.6953,67.98598,Singlet_Carbene_Intra_Disproportionation
369,[C:1]([C@@:2]1([H:10])[O:3][C:4]([H:11])([H:12])[C:5]([H:13])=[C:6]1[H:14])([H:7])([H:8])[H:9],[C:1]([C@:5]1([H:13])[C:4]([H:11])([H:12])[O:3][C:2]([H:10])=[C:6]1[H:14])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-5-3-2-4-6-5/h2-3,5H,4H2,1H3/t5-/m1/s1","InChI=1S/C5H8O/c1-5-2-3-6-4-5/h2-3,5H,4H2,1H3/t5-/m0/s1",71.04386,-1.7850400000000002,
370,[C:1]([C@@:2]1([H:10])[O:3][C:4]([H:11])([H:12])[C:5]([H:13])=[C:6]1[H:14])([H:7])([H:8])[H:9],[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[O:3][C:4]([H:11])=[C:5]([H:13])[C@@:6]12[H:14].[H:7][H:12],"InChI=1S/C5H8O/c1-5-3-2-4-6-5/h2-3,5H,4H2,1H3/t5-/m1/s1","InChI=1S/C5H6O.H2/c1-2-6-5-3-4(1)5;/h1-2,4-5H,3H2;1H/t4-,5+;/m0./s1",73.98411,35.00793,
371,[C:1]([C@@:2]1([H:10])[O:3][C:4]([H:11])([H:12])[C:5]([H:13])=[C:6]1[H:14])([H:7])([H:8])[H:9],[C:1]([C:2](=[O:3])[H:10])([H:7])([H:8])[H:9].[C:4]([C:5]#[C:6][H:14])([H:11])([H:12])[H:13],"InChI=1S/C5H8O/c1-5-3-2-4-6-5/h2-3,5H,4H2,1H3/t5-/m1/s1","InChI=1S/C3H4.C2H4O/c1-3-2;1-2-3/h1H,2H3;2H,1H3",90.33556999999999,29.418809999999997,
372,[C:1]([C@@:2]1([H:10])[O:3][C:4]([H:11])([H:12])[C:5]([H:13])=[C:6]1[H:14])([H:7])([H:8])[H:9],[C:1](=[C:2](/[C:6](=[C:5](\[C:4]([O:3][H:7])([H:11])[H:12])[H:13])[H:14])[H:10])([H:8])[H:9],"InChI=1S/C5H8O/c1-5-3-2-4-6-5/h2-3,5H,4H2,1H3/t5-/m1/s1","InChI=1S/C5H8O/c1-2-3-4-5-6/h2-4,6H,1,5H2/b4-3-",55.30693,9.08717,
373,[C:1]([C@@:2]1([H:10])[O:3][C:4]([H:11])([H:12])[C:5]([H:13])=[C:6]1[H:14])([H:7])([H:8])[H:9],[C:1]([C:2]([C:6]#[C:5][H:13])([H:10])[H:14])([H:7])([H:8])[H:9].[O:3]=[C:4]([H:11])[H:12],"InChI=1S/C5H8O/c1-5-3-2-4-6-5/h2-3,5H,4H2,1H3/t5-/m1/s1","InChI=1S/C4H6.CH2O/c1-3-4-2;1-2/h1H,4H2,2H3;1H2",92.78835,38.86602,
374,[C:1]([C@@:2]1([H:10])[O:3][C:4]([H:11])([H:12])[C:5]([H:13])=[C:6]1[H:14])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[O+:3]=[C:4]([H:11])[C:5]([H:12])([H:13])[C-:6]1[H:14])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-5-3-2-4-6-5/h2-3,5H,4H2,1H3/t5-/m1/s1","InChI=1S/C5H8O/c1-5-3-2-4-6-5/h3-5H,2H2,1H3/t5-/m1/s1",67.08179,69.83877,
375,[C:1]([C@@:2]1([H:10])[O:3][C:4]([H:11])([H:12])[C:5]([H:13])=[C:6]1[H:14])([H:7])([H:8])[H:9],[C-:2]1=[O+:3][C:4]([H:11])([H:12])[C:5]([H:13])=[C:6]1[H:14].[C:1]([H:7])([H:8])([H:9])[H:10],"InChI=1S/C5H8O/c1-5-3-2-4-6-5/h2-3,5H,4H2,1H3/t5-/m1/s1","InChI=1S/C4H4O.CH4/c1-2-4-5-3-1;/h1-2H,3H2;1H4",63.12155,51.252559999999995,
376,[C:1]([C@@:2]1([H:10])[O:3][C:4]([H:11])([H:12])[C:5]([H:13])=[C:6]1[H:14])([H:7])([H:8])[H:9],[C:1]([C@@:2]([O:3][C:4]([H:11])([H:12])[H:13])([C:6](=[C:5])[H:14])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-5-3-2-4-6-5/h2-3,5H,4H2,1H3/t5-/m1/s1","InChI=1S/C5H8O/c1-4-5(2)6-3/h4-5H,2-3H3/t5-/m1/s1",71.90575,77.83459,
377,[C:1]([C@@:2]1([H:10])[O:3][C:4]([H:11])([H:12])[C:5]([H:13])=[C:6]1[H:14])([H:7])([H:8])[H:9],[C:1]([C:2]1=[C:6]([H:14])[C:5]([H:10])([H:13])[C:4]([H:11])([H:12])[O:3]1)([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-5-3-2-4-6-5/h2-3,5H,4H2,1H3/t5-/m1/s1","InChI=1S/C5H8O/c1-5-3-2-4-6-5/h3H,2,4H2,1H3",100.89544000000001,-6.21624,
378,[C:1]([C@@:2]1([H:10])[O:3][C:4]([H:11])([H:12])[C:5]([H:13])=[C:6]1[H:14])([H:7])([H:8])[H:9],[C:1](/[C:2]([O:3][C:4]([H:10])([H:11])[H:12])=[C:6](/[C:5][H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-5-3-2-4-6-5/h2-3,5H,4H2,1H3/t5-/m1/s1","InChI=1S/C5H8O/c1-4-5(2)6-3/h1,4H,2-3H3/b5-4-",120.42836000000001,71.535,
379,[C:1]([C:2]1([C:3]([H:9])([H:10])[H:11])[C:4]([H:12])([H:13])[O:5]1)([H:6])([H:7])[H:8],[C:1]([C-:2]=[O+:5][C:4]([C:3]([H:9])([H:10])[H:11])([H:12])[H:13])([H:6])([H:7])[H:8],"InChI=1S/C4H8O/c1-4(2)3-5-4/h3H2,1-2H3","InChI=1S/C4H8O/c1-3-5-4-2/h3H2,1-2H3",97.25648000000001,41.129979999999996,
380,[C:1]([C:2]1([C:3]([H:9])([H:10])[H:11])[C:4]([H:12])([H:13])[O:5]1)([H:6])([H:7])[H:8],[C:1]([C:2][C:4]([O:5][C:3]([H:9])([H:10])[H:11])([H:12])[H:13])([H:6])([H:7])[H:8],"InChI=1S/C4H8O/c1-4(2)3-5-4/h3H2,1-2H3","InChI=1S/C4H8O/c1-3-4-5-2/h4H2,1-2H3",101.12517,81.93137,
381,[C:1]([C:2]1([C:3]([H:9])([H:10])[H:11])[C:4]([H:12])([H:13])[O:5]1)([H:6])([H:7])[H:8],[C:1]([C:2]([C:3]([H:9])([H:10])[H:11])([O+:5]=[C-:4][H:12])[H:13])([H:6])([H:7])[H:8],"InChI=1S/C4H8O/c1-4(2)3-5-4/h3H2,1-2H3","InChI=1S/C4H8O/c1-4(2)5-3/h3-4H,1-2H3",75.72823000000001,47.39591,
382,[C:1]([C:2]1([C:3]([H:9])([H:10])[H:11])[C:4]([H:12])([H:13])[O:5]1)([H:6])([H:7])[H:8],[C:1](=[C:2]1[C:4]([H:12])([H:13])[O:5]1)([H:6])[H:7].[C:3]([H:8])([H:9])([H:10])[H:11],"InChI=1S/C4H8O/c1-4(2)3-5-4/h3H2,1-2H3",InChI=1S/C3H4O.CH4/c1-3-2-4-3;/h1-2H2;1H4,111.19006999999999,25.41198,
383,[C:1]([C:2]1([C:3]([H:9])([H:10])[H:11])[C:4]([H:12])([H:13])[O:5]1)([H:6])([H:7])[H:8],[C:1]([C:2]([C:3]([H:9])([H:10])[H:11])([C:4][H:12])[O:5][H:13])([H:6])([H:7])[H:8],"InChI=1S/C4H8O/c1-4(2)3-5-4/h3H2,1-2H3","InChI=1S/C4H8O/c1-4(2,3)5/h1,5H,2-3H3",68.76348,66.94046999999999,
384,[C:1]([C:2]1([C:3]([H:9])([H:10])[H:11])[C:4]([H:12])([H:13])[O:5]1)([H:6])([H:7])[H:8],[C:1]([C:2]([C:4]([C:3]([H:9])([H:10])[H:11])([H:12])[H:13])=[O:5])([H:6])([H:7])[H:8],"InChI=1S/C4H8O/c1-4(2)3-5-4/h3H2,1-2H3","InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3",61.47665,-24.10388,
385,[C:1]([C:2]1([C:3]([H:9])([H:10])[H:11])[C:4]([H:12])([H:13])[O:5]1)([H:6])([H:7])[H:8],[C:1]([C:2](=[C+:4][H:12])[O-:5])([H:6])([H:7])[H:8].[C:3]([H:9])([H:10])([H:11])[H:13],"InChI=1S/C4H8O/c1-4(2)3-5-4/h3H2,1-2H3","InChI=1S/C3H4O.CH4/c1-3(2)4;/h1H,2H3;1H4",107.34008999999999,60.904469999999996,
386,[C:1]([C:2]1([C:3]([H:9])([H:10])[H:11])[C:4]([H:12])([H:13])[O:5]1)([H:6])([H:7])[H:8],[C:1]([C:2]1([C:3]([H:9])([H:10])[H:11])[C-:4]=[O+:5]1)([H:6])([H:7])[H:8].[H:12][H:13],"InChI=1S/C4H8O/c1-4(2)3-5-4/h3H2,1-2H3",InChI=1S/C4H6O.H2/c1-4(2)3-5-4;/h1-2H3;1H,80.65756999999999,64.35759,
387,[C:1]([C:2]1([C:3]([H:9])([H:10])[H:11])[C:4]([H:12])([H:13])[O:5]1)([H:6])([H:7])[H:8],[C:1]([C:2]([C:3]([H:9])([H:10])[H:11])=[O+:5][C-:4]([H:12])[H:13])([H:6])([H:7])[H:8],"InChI=1S/C4H8O/c1-4(2)3-5-4/h3H2,1-2H3","InChI=1S/C4H8O/c1-4(2)5-3/h3H2,1-2H3",53.696940000000005,38.8324,
388,[C:1]([C:2](=[O:3])[C:4](=[O:5])[N:6]([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C-:2]=[O+:3][C:4](=[O:5])[N:6]([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C3H5NO2/c1-2(5)3(4)6/h1H3,(H2,4,6)","InChI=1S/C3H5NO2/c1-2-6-3(4)5/h1H3,(H2,4,5)",74.74428,64.08722,
389,[C:1]([C:2](=[O:3])[C:4](=[O:5])[N:6]([H:10])[H:11])([H:7])([H:8])[H:9],[C-:2]#[O+:3].[C-:4]#[O+:5].[C:1]([N:6]([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C3H5NO2/c1-2(5)3(4)6/h1H3,(H2,4,6)","InChI=1S/CH5N.2CO/c3*1-2/h2H2,1H3;;",104.07329,31.85902,
390,[C:1]([C:2](=[O:3])[C:4](=[O:5])[N:6]([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](=[O:3])/[C:4]([O:5][H:10])=[N:6]\[H:11])([H:7])([H:8])[H:9],"InChI=1S/C3H5NO2/c1-2(5)3(4)6/h1H3,(H2,4,6)","InChI=1S/C3H5NO2/c1-2(5)3(4)6/h1H3,(H2,4,6)",44.58227,10.99163,ketoenol
391,[C:1]([C:2](=[O:3])[C:4](=[O:5])[N:6]([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]([O:3][H:7])[C:4](=[O:5])[N:6]([H:10])[H:11])([H:8])[H:9],"InChI=1S/C3H5NO2/c1-2(5)3(4)6/h1H3,(H2,4,6)","InChI=1S/C3H5NO2/c1-2(5)3(4)6/h5H,1H2,(H2,4,6)",66.22578,8.59067,ketoenol
392,[C:1]([C:2](=[O:3])[C:4](=[O:5])[N:6]([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]([O-:3])[C+:4]([O:5][H:7])[N:6]([H:10])[H:11])([H:8])[H:9],"InChI=1S/C3H5NO2/c1-2(5)3(4)6/h1H3,(H2,4,6)","InChI=1S/C3H5NO2/c1-2(5)3(4)6/h6H,1,4H2",44.7614,36.09245,
393,[C:1]([C:2](=[O:3])[C:4](=[O:5])[N:6]([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](=[O:3])[H:10])([H:7])([H:8])[H:9].[C:4](=[O:5])=[N:6][H:11],"InChI=1S/C3H5NO2/c1-2(5)3(4)6/h1H3,(H2,4,6)","InChI=1S/C2H4O.CHNO/c1-2-3;2-1-3/h2H,1H3;2H",76.57045,17.14104,
394,[C:1]([C:2](=[O:3])[C:4](=[O:5])[N:6]([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](=[O:3])[O+:5]=[C-:4][N:6]([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C3H5NO2/c1-2(5)3(4)6/h1H3,(H2,4,6)","InChI=1S/C3H5NO2/c1-3(5)6-2-4/h4H2,1H3",53.75265,44.41643,
395,[C:1]([C@:2]1([H:9])[O:3][C@@:4]1([C:5]([H:11])([H:12])[H:13])[H:10])([H:6])([H:7])[H:8],[C:1]([C-:2]=[O+:3][C:4]([C:5]([H:11])([H:12])[H:13])([H:9])[H:10])([H:6])([H:7])[H:8],"InChI=1S/C4H8O/c1-3-4(2)5-3/h3-4H,1-2H3/t3-,4+","InChI=1S/C4H8O/c1-3-5-4-2/h3H2,1-2H3",73.11567,40.23387,
396,[C:1]([C@:2]1([H:9])[O:3][C@@:4]1([C:5]([H:11])([H:12])[H:13])[H:10])([H:6])([H:7])[H:8],[C:1]([C:2][C@@:4]([O:3][H:9])([C:5]([H:11])([H:12])[H:13])[H:10])([H:6])([H:7])[H:8],"InChI=1S/C4H8O/c1-3-4(2)5-3/h3-4H,1-2H3/t3-,4+","InChI=1S/C4H8O/c1-3-4(2)5/h4-5H,1-2H3/t4-/m0/s1",67.18848,65.93703000000001,
397,[C:1]([C@:2]1([H:9])[O:3][C@@:4]1([C:5]([H:11])([H:12])[H:13])[H:10])([H:6])([H:7])[H:8],[C:1]([C@@:2]([O:3][C:5]([H:11])([H:12])[H:13])([C:4][H:10])[H:9])([H:6])([H:7])[H:8],"InChI=1S/C4H8O/c1-3-4(2)5-3/h3-4H,1-2H3/t3-,4+","InChI=1S/C4H8O/c1-4(2)5-3/h1,4H,2-3H3/t4-/m0/s1",102.64819,83.63620999999999,
398,[C:1]([C@:2]1([H:9])[O:3][C@@:4]1([C:5]([H:11])([H:12])[H:13])[H:10])([H:6])([H:7])[H:8],[C:1]([C@@:2]1([H:9])[O:3][C:4]1=[C:5]([H:12])[H:13])([H:6])([H:7])[H:8].[H:10][H:11],"InChI=1S/C4H8O/c1-3-4(2)5-3/h3-4H,1-2H3/t3-,4+","InChI=1S/C4H6O.H2/c1-3-4(2)5-3;/h4H,1H2,2H3;1H/t4-;/m1./s1",109.21916,32.71582,
399,[C:1]([C@:2]1([H:9])[O:3][C@@:4]1([C:5]([H:11])([H:12])[H:13])[H:10])([H:6])([H:7])[H:8],[C:1]([C-:2]([O+:3]=[C:4]([C:5]([H:11])([H:12])[H:13])[H:10])[H:9])([H:6])([H:7])[H:8],"InChI=1S/C4H8O/c1-3-4(2)5-3/h3-4H,1-2H3/t3-,4+","InChI=1S/C4H8O/c1-3-5-4-2/h3-4H,1-2H3",53.813030000000005,38.76506,
400,[C:1]([C@:2]1([H:9])[O:3][C@@:4]1([C:5]([H:11])([H:12])[H:13])[H:10])([H:6])([H:7])[H:8],[C:1]([C:4]([C:2](=[O:3])[H:9])([C:5]([H:11])([H:12])[H:13])[H:10])([H:6])([H:7])[H:8],"InChI=1S/C4H8O/c1-3-4(2)5-3/h3-4H,1-2H3/t3-,4+","InChI=1S/C4H8O/c1-4(2)3-5/h3-4H,1-2H3",50.441559999999996,-20.20404,
401,[C:1]([C@:2]1([H:9])[O:3][C@@:4]1([C:5]([H:11])([H:12])[H:13])[H:10])([H:6])([H:7])[H:8],[C:1](=[C:2]([O:3][C:4](=[C:5]([H:12])[H:13])[H:10])[H:9])([H:7])[H:8].[H:6][H:11],"InChI=1S/C4H8O/c1-3-4(2)5-3/h3-4H,1-2H3/t3-,4+","InChI=1S/C4H6O.H2/c1-3-5-4-2;/h3-4H,1-2H2;1H",63.3928,26.480040000000002,
402,[C:1]([C@:2]1([H:9])[O:3][C@@:4]1([C:5]([H:11])([H:12])[H:13])[H:10])([H:6])([H:7])[H:8],[C:1]([C@@:2]1([H:9])[O+:3]=[C-:4]1)([H:6])([H:7])[H:8].[C:5]([H:10])([H:11])([H:12])[H:13],"InChI=1S/C4H8O/c1-3-4(2)5-3/h3-4H,1-2H3/t3-,4+","InChI=1S/C3H4O.CH4/c1-3-2-4-3;/h3H,1H3;1H4/t3-;/m1./s1",79.05116,54.52105,
403,[C:1]([C@:2]1([H:9])[O:3][C@@:4]1([C:5]([H:11])([H:12])[H:13])[H:10])([H:6])([H:7])[H:8],[C:1]([C:2]([O+:3]=[C-:4][H:10])([C:5]([H:11])([H:12])[H:13])[H:9])([H:6])([H:7])[H:8],"InChI=1S/C4H8O/c1-3-4(2)5-3/h3-4H,1-2H3/t3-,4+","InChI=1S/C4H8O/c1-4(2)5-3/h3-4H,1-2H3",95.96846,46.49548,
404,[C:1]([C@:2]1([H:9])[O:3][C@@:4]1([C:5]([H:11])([H:12])[H:13])[H:10])([H:6])([H:7])[H:8],[C:1](=[C:2]([H:6])[H:9])([H:7])[H:8].[O:3]=[C:4]([C:5]([H:11])([H:12])[H:13])[H:10],"InChI=1S/C4H8O/c1-3-4(2)5-3/h3-4H,1-2H3/t3-,4+","InChI=1S/C2H4O.C2H4/c1-2-3;1-2/h2H,1H3;1-2H2",70.4071,3.83005,
405,[O:1]([c:2]1[n:3][o:4][c:5]([H:8])[c:6]1[H:9])[H:7],[O:1]([C:2]([N:3]=[O:4])=[C:6]=[C:5]([H:8])[H:9])[H:7],"InChI=1S/C3H3NO2/c5-3-1-2-6-4-3/h1-2H,(H,4,5)","InChI=1S/C3H3NO2/c1-2-3(5)4-6/h5H,1H2",74.87769,58.32586,
406,[O:1]([c:2]1[n:3][o:4][c:5]([H:8])[c:6]1[H:9])[H:7],[O:1]([C:2]1=[N:3][C@:6]1([C:5](=[O:4])[H:8])[H:9])[H:7],"InChI=1S/C3H3NO2/c5-3-1-2-6-4-3/h1-2H,(H,4,5)","InChI=1S/C3H3NO2/c5-1-2-3(6)4-2/h1-2H,(H,4,6)/t2-/m0/s1",47.36336,14.43648,ketoenol
407,[O:1]([c:2]1[n:3][o:4][c:5]([H:8])[c:6]1[H:9])[H:7],[O:1]=[c:2]1[n:3]([H:7])[o:4][c:5]([H:8])[c:6]1[H:9],"InChI=1S/C3H3NO2/c5-3-1-2-6-4-3/h1-2H,(H,4,5)","InChI=1S/C3H3NO2/c5-3-1-2-6-4-3/h1-2H,(H,4,5)",42.58041,5.0567400000000005,ketoenol
408,[O:1]([c:2]1[n:3][o:4][c:5]([H:8])[c:6]1[H:9])[H:7],[O:1]([C:2]1=[C+:6][C:5]([H:8])([H:9])[O:4][N-:3]1)[H:7],"InChI=1S/C3H3NO2/c5-3-1-2-6-4-3/h1-2H,(H,4,5)","InChI=1S/C3H3NO2/c5-3-1-2-6-4-3/h5H,2H2",74.85755999999999,72.20594,Singlet_Carbene_Intra_Disproportionation
409,[O:1]([c:2]1[n:3][o:4][c:5]([H:8])[c:6]1[H:9])[H:7],[O:1]([N:3]=[C:2]=[C:6]([C:5](=[O:4])[H:8])[H:9])[H:7],"InChI=1S/C3H3NO2/c5-3-1-2-6-4-3/h1-2H,(H,4,5)","InChI=1S/C3H3NO2/c5-3-1-2-4-6/h1,3,6H",69.58131999999999,34.05088,
410,[O:1]([c:2]1[n:3][o:4][c:5]([H:8])[c:6]1[H:9])[H:7],[O:1]([C:2]1=[C:6]=[C:5]([H:8])[O:4][N:3]1[H:9])[H:7],"InChI=1S/C3H3NO2/c5-3-1-2-6-4-3/h1-2H,(H,4,5)","InChI=1S/C3H3NO2/c5-3-1-2-6-4-3/h2,4-5H",103.28017,60.442440000000005,
411,[O:1]([c:2]1[n:3][o:4][c:5]([H:8])[c:6]1[H:9])[H:7],[O-:1][C:2]1=[N:3][O+:4]=[C:5]([H:8])[C:6]1([H:7])[H:9],"InChI=1S/C3H3NO2/c5-3-1-2-6-4-3/h1-2H,(H,4,5)","InChI=1S/C3H3NO2/c5-3-1-2-6-4-3/h2H,1H2",72.29219,34.778890000000004,
412,[O:1]([c:2]1[n:3][o:4][c:5]([H:8])[c:6]1[H:9])[H:7],[O:1]([C:2]1=[C:6]([H:9])[C@@:5]2([H:8])[N:3]1[O:4]2)[H:7],"InChI=1S/C3H3NO2/c5-3-1-2-6-4-3/h1-2H,(H,4,5)","InChI=1S/C3H3NO2/c5-2-1-3-4(2)6-3/h1,3,5H/t3-,4?/m0/s1",89.01222,70.12581999999999,
413,[O:1]([c:2]1[n:3][o:4][c:5]([H:8])[c:6]1[H:9])[H:7],[O:1]([C:2]([N:3]=[C:5]=[O:4])=[C:6]([H:8])[H:9])[H:7],"InChI=1S/C3H3NO2/c5-3-1-2-6-4-3/h1-2H,(H,4,5)","InChI=1S/C3H3NO2/c1-3(6)4-2-5/h6H,1H2",76.50018,-27.731009999999998,
414,[O:1]([c:2]1[n:3][o:4][c:5]([H:8])[c:6]1[H:9])[H:7],[O:1]([C:2](=[N-:3])[C:6](=[C+:5][O:4][H:8])[H:9])[H:7],"InChI=1S/C3H3NO2/c5-3-1-2-6-4-3/h1-2H,(H,4,5)","InChI=1S/C3H3NO2/c4-3(6)1-2-5/h1H,(H2-,4,5,6)",83.80196,62.90279,
415,[O:1]=[C:2]([N:3]1[C:4]([H:7])([H:8])[C:5]1([H:9])[H:10])[H:6],[O:1]1[C:2]([H:6])=[N:3][C:4]([H:7])([H:8])[C:5]1([H:9])[H:10],"InChI=1S/C3H5NO/c5-3-4-1-2-4/h3H,1-2H2","InChI=1S/C3H5NO/c1-2-5-3-4-1/h3H,1-2H2",34.56561,-15.077679999999999,ketoenol
416,[O:1]=[C:2]([N:3]1[C:4]([H:7])([H:8])[C:5]1([H:9])[H:10])[H:6],[H:6][H:9].[N:3]1=[C:5]([H:10])[C:4]1([H:7])[H:8].[O+:1]#[C-:2],"InChI=1S/C3H5NO/c5-3-4-1-2-4/h3H,1-2H2","InChI=1S/C2H3N.CO.H2/c1-2-3-1;1-2;/h1H,2H2;;1H",67.83325,42.43115,
417,[O:1]=[C:2]([N:3]1[C:4]([H:7])([H:8])[C:5]1([H:9])[H:10])[H:6],[O:1]([C:2](=[N+:3]1[C:4]([H:7])([H:8])[C-:5]1[H:9])[H:6])[H:10],"InChI=1S/C3H5NO/c5-3-4-1-2-4/h3H,1-2H2","InChI=1S/C3H5NO/c5-3-4-1-2-4/h1,3,5H,2H2",62.3223,54.78185,
418,[O:1]=[C:2]([N:3]1[C:4]([H:7])([H:8])[C:5]1([H:9])[H:10])[H:6],[O:1]=[C:2]([N+:3]1([H:10])[C:4]([H:7])([H:8])[C-:5]1[H:9])[H:6],"InChI=1S/C3H5NO/c5-3-4-1-2-4/h3H,1-2H2","InChI=1S/C3H5NO/c5-3-4-1-2-4/h1,3-4H,2H2",66.47117,59.38146999999999,
419,[O:1]=[C:2]([N:3]1[C:4]([H:7])([H:8])[C:5]1([H:9])[H:10])[H:6],[C:4](=[C:5]([H:9])[H:10])([H:7])[H:8].[O:1]=[C:2]=[N:3][H:6],"InChI=1S/C3H5NO/c5-3-4-1-2-4/h3H,1-2H2",InChI=1S/C2H4.CHNO/c1-2;2-1-3/h1-2H2;2H,46.50945,-16.66495,
420,[O:1]=[C:2]([N:3]1[C:4]([H:7])([H:8])[C:5]1([H:9])[H:10])[H:6],[N:3]([C:4]([H:6])([H:7])[H:8])=[C:5]([H:9])[H:10].[O+:1]#[C-:2],"InChI=1S/C3H5NO/c5-3-4-1-2-4/h3H,1-2H2","InChI=1S/C2H5N.CO/c1-3-2;1-2/h1H2,2H3;",85.55305,-5.06358,
421,[O:1]=[C:2]([N:3]1[C:4]([H:7])([H:8])[C:5]1([H:9])[H:10])[H:6],[O:1]=[C:2]([N+:3]([C-:4]([H:7])[H:8])=[C:5]([H:9])[H:10])[H:6],"InChI=1S/C3H5NO/c5-3-4-1-2-4/h3H,1-2H2","InChI=1S/C3H5NO/c1-4(2)3-5/h3H,1-2H2",37.2804,27.65441,
422,[O:1]=[C:2]([N:3]1[C:4]([H:7])([H:8])[C:5]1([H:9])[H:10])[H:6],[O:1]1[C:2]([H:6])=[N+:3]([C-:4]([H:7])[H:8])[C:5]1([H:9])[H:10],"InChI=1S/C3H5NO/c5-3-4-1-2-4/h3H,1-2H2","InChI=1S/C3H5NO/c1-4-2-5-3-4/h2H,1,3H2",73.76061,59.32679,
423,[O:1]=[C:2]([N:3]1[C:4]([H:7])([H:8])[C:5]1([H:9])[H:10])[H:6],[O:1]=[C:2]=[N:3][C:4]([C:5]([H:6])([H:9])[H:10])([H:7])[H:8],"InChI=1S/C3H5NO/c5-3-4-1-2-4/h3H,1-2H2","InChI=1S/C3H5NO/c1-2-4-3-5/h2H2,1H3",48.22466,-34.74058,
424,[O:1]=[C:2]([N:3]1[C:4]([H:7])([H:8])[C:5]1([H:9])[H:10])[H:6],[O:1]=[C:2]([C:5]([N:3]=[C:4]([H:7])[H:8])([H:9])[H:10])[H:6],"InChI=1S/C3H5NO/c5-3-4-1-2-4/h3H,1-2H2","InChI=1S/C3H5NO/c1-4-2-3-5/h3H,1-2H2",69.24513,-2.1792,
425,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]12[C:4]([H:11])([H:12])[O:5][C:6]2([H:13])[H:14],[C:1]([C:3]1([C:2][H:10])[C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14])([H:7])([H:8])[H:9],InChI=1S/C5H8O/c1-2-5(1)3-6-4-5/h1-4H2,"InChI=1S/C5H8O/c1-5(2)3-6-4-5/h1H,3-4H2,2H3",66.50376999999999,73.16723,
426,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]12[C:4]([H:11])([H:12])[O:5][C:6]2([H:13])[H:14],[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]1=[C:4]([H:11])[H:12].[O:5]=[C:6]([H:13])[H:14],InChI=1S/C5H8O/c1-2-5(1)3-6-4-5/h1-4H2,InChI=1S/C4H6.CH2O/c1-4-2-3-4;1-2/h1-3H2;1H2,49.21063,11.42566,2+2_cycloaddition
427,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]12[C:4]([H:11])([H:12])[O:5][C:6]2([H:13])[H:14],[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]1([C:4]([O-:5])([H:11])[H:12])[C+:6]([H:13])[H:14],InChI=1S/C5H8O/c1-2-5(1)3-6-4-5/h1-4H2,InChI=1S/C5H8O/c1-5(4-6)2-3-5/h1-4H2,51.50371,51.540729999999996,
428,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]12[C:4]([H:11])([H:12])[O:5][C:6]2([H:13])[H:14],[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]1([C:4]([O+:5]=[C-:6][H:14])([H:11])[H:12])[H:13],InChI=1S/C5H8O/c1-2-5(1)3-6-4-5/h1-4H2,"InChI=1S/C5H8O/c1-6-4-5-2-3-5/h1,5H,2-4H2",77.85849,45.09187,
429,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]12[C:4]([H:11])([H:12])[O:5][C:6]2([H:13])[H:14],[C-:1]1([H:8])[C:2]([H:9])([H:10])[C@@:3]12[C:4]([H:11])=[O+:5][C:6]2([H:13])[H:14].[H:7][H:12],InChI=1S/C5H8O/c1-2-5(1)3-6-4-5/h1-4H2,"InChI=1S/C5H6O.H2/c1-2-5(1)3-6-4-5;/h1,3H,2,4H2;1H/t5-;/m1./s1",84.8422,88.88295,
430,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]12[C:4]([H:11])([H:12])[O:5][C:6]2([H:13])[H:14],[C:1]1([H:7])([H:8])[C:2]([H:9])=[C:3]1[C:4]([H:10])([H:11])[H:12].[O:5]=[C:6]([H:13])[H:14],InChI=1S/C5H8O/c1-2-5(1)3-6-4-5/h1-4H2,"InChI=1S/C4H6.CH2O/c1-4-2-3-4;1-2/h2H,3H2,1H3;1H2",94.67653,22.9409,
431,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]12[C:4]([H:11])([H:12])[O:5][C:6]2([H:13])[H:14],[C:1](=[C:2]([H:9])[H:10])([H:7])[H:8].[C:3]1([H:14])=[C:6]([H:13])[O:5][C:4]1([H:11])[H:12],InChI=1S/C5H8O/c1-2-5(1)3-6-4-5/h1-4H2,"InChI=1S/C3H4O.C2H4/c1-2-4-3-1;1-2/h1-2H,3H2;1-2H2",88.64424,19.08567,
432,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]12[C:4]([H:11])([H:12])[O:5][C:6]2([H:13])[H:14],[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]12[C-:4]([H:12])[O+:5]=[C:6]2[H:14].[H:11][H:13],InChI=1S/C5H8O/c1-2-5(1)3-6-4-5/h1-4H2,"InChI=1S/C5H6O.H2/c1-2-5(1)3-6-4-5;/h3-4H,1-2H2;1H",75.96908,73.41906999999999,
433,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]12[C:4]([H:11])([H:12])[O:5][C:6]2([H:13])[H:14],[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]12[C-:4]=[O+:5][C:6]2([H:13])[H:14].[H:11][H:12],InChI=1S/C5H8O/c1-2-5(1)3-6-4-5/h1-4H2,InChI=1S/C5H6O.H2/c1-2-5(1)3-6-4-5;/h1-3H2;1H,74.73184,65.19301999999999,
434,[O:1]([C:2]([C:3]#[N:4])([C:5]#[N:6])[H:8])[H:7],[O:1]([C@@:2]([C:3]#[N:4])([N+:6]#[C-:5])[H:8])[H:7],"InChI=1S/C3H2N2O/c4-1-3(6)2-5/h3,6H","InChI=1S/C3H2N2O/c1-5-3(6)2-4/h3,6H/t3-/m0/s1",51.15804,22.17982,
435,[O:1]([C:2]([C:3]#[N:4])([C:5]#[N:6])[H:8])[H:7],[C:5]=[N:6][H:7].[O:1]=[C:2]([C:3]#[N:4])[H:8],"InChI=1S/C3H2N2O/c4-1-3(6)2-5/h3,6H",InChI=1S/C2HNO.CHN/c3-1-2-4;1-2/h2H;2H,57.81567,34.3595,
436,[O:1]([C:2]([C:3]#[N:4])([C:5]#[N:6])[H:8])[H:7],[O:1]([C:5]1=[N:6][C@@:2]1([C:3]#[N:4])[H:8])[H:7],"InChI=1S/C3H2N2O/c4-1-3(6)2-5/h3,6H","InChI=1S/C3H2N2O/c4-1-2-3(6)5-2/h2H,(H,5,6)/t2-/m1/s1",68.90945,19.03327,
437,[O:1]([C:2]([C:3]#[N:4])([C:5]#[N:6])[H:8])[H:7],[O:1]([C:2]([C:3]#[N:4])=[C:5]=[N:6][H:8])[H:7],"InChI=1S/C3H2N2O/c4-1-3(6)2-5/h3,6H","InChI=1S/C3H2N2O/c4-1-3(6)2-5/h4,6H",67.81341,10.404860000000001,
438,[O:1]([C:2]([C:3]#[N:4])([C:5]#[N:6])[H:8])[H:7],[O:1]([N:4]=[C:3]=[C:2]([C:5]#[N:6])[H:8])[H:7],"InChI=1S/C3H2N2O/c4-1-3(6)2-5/h3,6H","InChI=1S/C3H2N2O/c4-2-1-3-5-6/h1,6H",79.57146999999999,38.78074,
439,[O:1]([C:2]([C:3]#[N:4])([C:5]#[N:6])[H:8])[H:7],[O:1]([C@@:2]1([C:3]#[N:4])[C:5][N:6]1[H:8])[H:7],"InChI=1S/C3H2N2O/c4-1-3(6)2-5/h3,6H",InChI=1S/C3H2N2O/c4-1-3(6)2-5-3/h5-6H/t3-/m0/s1,76.82253,60.35791,
440,[O:1]([C:2]([C:3]#[N:4])([C:5]#[N:6])[H:8])[H:7],[O:1]([C+:2]([C:3]#[N:4])[C:5](=[N-:6])[H:8])[H:7],"InChI=1S/C3H2N2O/c4-1-3(6)2-5/h3,6H","InChI=1S/C3H2N2O/c4-1-3(6)2-5/h1,6H",58.191,42.060390000000005,
441,[O:1]([C:2]([C:3]#[N:4])([C:5]#[N:6])[H:8])[H:7],[O:1]([C:2](=[C:3]=[N:4][C:5]#[N:6])[H:8])[H:7],"InChI=1S/C3H2N2O/c4-1-3(6)2-5/h3,6H","InChI=1S/C3H2N2O/c4-3-5-1-2-6/h2,6H",90.10001,22.679470000000002,
442,[O:1]([C:2]([C:3]#[N:4])([C:5]#[N:6])[H:8])[H:7],[O:1]([C@:2]1([H:8])[C:3]([N+:6]#[C-:5])=[N:4]1)[H:7],"InChI=1S/C3H2N2O/c4-1-3(6)2-5/h3,6H","InChI=1S/C3H2N2O/c1-4-2-3(6)5-2/h3,6H/t3-/m1/s1",75.93292,48.835679999999996,
443,[O:1]([C:2]([C:3]#[N:4])([C:5]#[N:6])[H:8])[H:7],[C:5]=[N:6][H:8].[O:1]([C+:2]=[C:3]=[N-:4])[H:7],"InChI=1S/C3H2N2O/c4-1-3(6)2-5/h3,6H",InChI=1S/C2HNO.CHN/c3-1-2-4;1-2/h4H;2H,71.09744,79.69039000000001,
444,[C:1]([C@@:2]1([H:10])[O:3][C@:4]1([C:5]#[C:6][H:12])[H:11])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[O:3][C:4]1=[C:5]=[C:6]([H:11])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C5H6O/c1-3-5-4(2)6-5/h1,4-5H,2H3/t4-,5+/m1/s1","InChI=1S/C5H6O/c1-3-5-4(2)6-5/h4H,1H2,2H3/t4-/m1/s1",82.29639,-0.32748,
445,[C:1]([C@@:2]1([H:10])[O:3][C@:4]1([C:5]#[C:6][H:12])[H:11])([H:7])([H:8])[H:9],[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[O:3][C@@:4]2([H:11])[C:5][C:6]1([H:7])[H:12],"InChI=1S/C5H6O/c1-3-5-4(2)6-5/h1,4-5H,2H3/t4-,5+/m1/s1","InChI=1S/C5H6O/c1-2-4-5(3-1)6-4/h4-5H,1-2H2/t4-,5+/m1/s1",74.45608,45.18835,
446,[C:1]([C@@:2]1([H:10])[O:3][C@:4]1([C:5]#[C:6][H:12])[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]([O:3][C:4](=[C:5]=[C:6]([H:7])[H:12])[H:11])[H:10])([H:8])[H:9],"InChI=1S/C5H6O/c1-3-5-4(2)6-5/h1,4-5H,2H3/t4-,5+/m1/s1","InChI=1S/C5H6O/c1-3-5-6-4-2/h4-5H,1-2H2",35.78714,-5.97659,
447,[C:1]([C@@:2]1([H:10])[O:3][C@:4]1([C:5]#[C:6][H:12])[H:11])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[O:3][C@:4]1([C:6](=[C:5])[H:12])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H6O/c1-3-5-4(2)6-5/h1,4-5H,2H3/t4-,5+/m1/s1","InChI=1S/C5H6O/c1-3-5-4(2)6-5/h3-5H,2H3/t4-,5+/m1/s1",55.12826,51.791470000000004,Singlet_Carbene_Intra_Disproportionation
448,[C:1]([C@@:2]1([H:10])[O:3][C@:4]1([C:5]#[C:6][H:12])[H:11])([H:7])([H:8])[H:9],[C:1]([C-:2]([O+:3]=[C:4]([C:5]#[C:6][H:12])[H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H6O/c1-3-5-4(2)6-5/h1,4-5H,2H3/t4-,5+/m1/s1","InChI=1S/C5H6O/c1-3-5-6-4-2/h1,4-5H,2H3",41.0641,28.736259999999998,
449,[C:1]([C@@:2]1([H:10])[O:3][C@:4]1([C:5]#[C:6][H:12])[H:11])([H:7])([H:8])[H:9],[C:1]([C@@:2]([C:4](=[O:3])[H:11])([C:5]#[C:6][H:12])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H6O/c1-3-5-4(2)6-5/h1,4-5H,2H3/t4-,5+/m1/s1","InChI=1S/C5H6O/c1-3-5(2)4-6/h1,4-5H,2H3/t5-/m1/s1",53.189859999999996,-19.72095,
450,[C:1]([C@@:2]1([H:10])[O:3][C@:4]1([C:5]#[C:6][H:12])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([O+:3]=[C-:4][C:5]#[C:6][H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H6O/c1-3-5-4(2)6-5/h1,4-5H,2H3/t4-,5+/m1/s1","InChI=1S/C5H6O/c1-3-5-6-4-2/h1H,4H2,2H3",68.42833,35.0407,
451,[C:1]([C@@:2]1([H:10])[O:3][C@:4]1([C:5]#[C:6][H:12])[H:11])([H:7])([H:8])[H:9],[C:1]([C@@:2]([O:3][H:11])([C-:4]=[C:5]=[C+:6][H:12])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H6O/c1-3-5-4(2)6-5/h1,4-5H,2H3/t4-,5+/m1/s1","InChI=1S/C5H6O/c1-3-4-5(2)6/h1,5-6H,2H3/t5-/m1/s1",58.18169,50.15048,
452,[C:1]([C@@:2]1([H:10])[O:3][C@:4]1([C:5]#[C:6][H:12])[H:11])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[O:3]/[C:4]1=[C:5](\[C:6][H:12])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H6O/c1-3-5-4(2)6-5/h1,4-5H,2H3/t4-,5+/m1/s1","InChI=1S/C5H6O/c1-3-5-4(2)6-5/h1,3-4H,2H3/b5-3-/t4-/m1/s1",68.00883,53.8639,
453,[C:1]([C@@:2]1([H:10])[O:3][C@:4]1([C:5]#[C:6][H:12])[H:11])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[O:3][C:6]([H:12])=[C:5]=[C:4]1[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H6O/c1-3-5-4(2)6-5/h1,4-5H,2H3/t4-,5+/m1/s1","InChI=1S/C5H6O/c1-5-3-2-4-6-5/h3-5H,1H3/t5-/m1/s1",56.5601,10.73789,
454,[C:1]([C@@:2]1([H:10])[O:3][C@:4]1([C:5]#[C:6][H:12])[H:11])([H:7])([H:8])[H:9],[C:1]([C:6](=[C:5]=[C:4]([C:2](=[O:3])[H:10])[H:11])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C5H6O/c1-3-5-4(2)6-5/h1,4-5H,2H3/t4-,5+/m1/s1","InChI=1S/C5H6O/c1-2-3-4-5-6/h2,4-5H,1H3",94.29623000000001,-32.73055,
455,[C:1]([C@@:2]1([H:10])[O:3][C@:4]1([C:5]#[C:6][H:12])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2][C@@:4]([O:3][H:10])([C:5]#[C:6][H:12])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H6O/c1-3-5-4(2)6-5/h1,4-5H,2H3/t4-,5+/m1/s1","InChI=1S/C5H6O/c1-3-5(6)4-2/h1,5-6H,2H3/t5-/m0/s1",67.52776999999999,66.22137,
456,[n:1]1([H:6])[c:2]([H:7])[c:3]([H:8])[n:4][n:5]1,[N:1]1=[N:5][N:4]=[C:3]([H:8])[C:2]1([H:6])[H:7],"InChI=1S/C2H3N3/c1-2-4-5-3-1/h1-2H,(H,3,4,5)","InChI=1S/C2H3N3/c1-2-4-5-3-1/h1H,2H2",50.91483,23.68391,
457,[n:1]1([H:6])[c:2]([H:7])[c:3]([H:8])[n:4][n:5]1,[N:1](=[C:2](/[C-:3]([N+:4]#[N:5])[H:8])[H:7])\[H:6],"InChI=1S/C2H3N3/c1-2-4-5-3-1/h1-2H,(H,3,4,5)",InChI=1S/C2H3N3/c3-1-2-5-4/h1-3H/b3-1+,20.32949,8.22903,
458,[n:1]1([H:6])[c:2]([H:7])[c:3]([H:8])[n:4][n:5]1,[N:1](=[C:2]=[C:3]([H:7])[H:8])[H:6].[N:4]#[N:5],"InChI=1S/C2H3N3/c1-2-4-5-3-1/h1-2H,(H,3,4,5)","InChI=1S/C2H3N.N2/c1-2-3;1-2/h3H,1H2;",52.50068,-21.99514,
459,[n:1]1([H:6])[c:2]([H:7])[c:3]([H:8])[n:4][n:5]1,[n:1]1[c:2]([H:7])[c:3]([H:8])[n:4][n:5]1[H:6],"InChI=1S/C2H3N3/c1-2-4-5-3-1/h1-2H,(H,3,4,5)","InChI=1S/C2H3N3/c1-2-4-5-3-1/h1-2H,(H,3,4,5)",43.76938,-7.58148,
460,[n:1]1([H:6])[c:2]([H:7])[c:3]([H:8])[n:4][n:5]1,[N:1]1([H:6])[C:2]([H:7])([H:8])[C:3]#[N+:4][N-:5]1,"InChI=1S/C2H3N3/c1-2-4-5-3-1/h1-2H,(H,3,4,5)","InChI=1S/C2H3N3/c1-2-4-5-3-1/h3H,1H2",82.25494,72.93288000000001,Singlet_Carbene_Intra_Disproportionation
461,[n:1]1([H:6])[c:2]([H:7])[c:3]([H:8])[n:4][n:5]1,[N:1](=[N:5]/[N:4]1[C:2]([H:7])=[C:3]1[H:8])\[H:6],"InChI=1S/C2H3N3/c1-2-4-5-3-1/h1-2H,(H,3,4,5)",InChI=1S/C2H3N3/c3-4-5-1-2-5/h1-3H/b4-3+,99.46081,95.02821999999999,
462,[n:1]1([H:6])[c:2]([H:7])[c:3]([H:8])[n:4][n:5]1,[N:1]1([H:6])[C:2]([H:7])=[C:3]1[H:8].[N:4]#[N:5],"InChI=1S/C2H3N3/c1-2-4-5-3-1/h1-2H,(H,3,4,5)",InChI=1S/C2H3N.N2/c1-2-3-1;1-2/h1-3H;,63.95814,37.81864,
463,[n:1]1([H:6])[c:2]([H:7])[c:3]([H:8])[n:4][n:5]1,[N:1]1([H:6])[C:2]([H:7])=[C+:3][N:4]([H:8])[N-:5]1,"InChI=1S/C2H3N3/c1-2-4-5-3-1/h1-2H,(H,3,4,5)","InChI=1S/C2H3N3/c1-2-4-5-3-1/h1,3-4H",81.75036,38.8124,
464,[n:1]1([H:6])[c:2]([H:7])[c:3]([H:8])[n:4][n:5]1,[C:2](#[C:3][H:8])[H:7].[N:1](=[N+:5]=[N-:4])[H:6],"InChI=1S/C2H3N3/c1-2-4-5-3-1/h1-2H,(H,3,4,5)",InChI=1S/C2H2.HN3/c1-2;1-3-2/h1-2H;1H,72.845,61.277609999999996,
465,[n:1]1([H:6])[c:2]([H:7])[c:3]([H:8])[n:4][n:5]1,[N:1](=[N:5][N:4]=[C:3]=[C:2]([H:7])[H:8])[H:6],"InChI=1S/C2H3N3/c1-2-4-5-3-1/h1-2H,(H,3,4,5)","InChI=1S/C2H3N3/c1-2-4-5-3/h3H,1H2",106.56908,47.65759,
466,[N:1]([c:2]1[n:3][c:4]([H:9])[n:5][n:6]1[H:10])([H:7])[H:8],[N:1]([C:2](=[N:3][C:4](=[N+:5]=[N-:6])[H:9])[H:10])([H:7])[H:8],"InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)","InChI=1S/C2H4N4/c3-1-5-2-6-4/h1-2H,(H2,3,5)",55.71779,36.64713,
467,[N:1]([c:2]1[n:3][c:4]([H:9])[n:5][n:6]1[H:10])([H:7])[H:8],[N:1]([C+:2][N:6]([N-:5])[H:10])([H:7])[H:8].[N:3]#[C:4][H:9],"InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)","InChI=1S/CH3N3.CHN/c2-1-4-3;1-2/h4H,2H2;1H",111.46973,109.36703999999999,
468,[N:1]([c:2]1[n:3][c:4]([H:9])[n:5][n:6]1[H:10])([H:7])[H:8],[N:1]([c:2]1[n+:3]([H:9])[c-:4][n:5][n:6]1[H:10])([H:7])[H:8],"InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)","InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h4H,(H3,3,5,6)",82.84156,50.382259999999995,
469,[N:1]([c:2]1[n:3][c:4]([H:9])[n:5][n:6]1[H:10])([H:7])[H:8],[N+:1]([C-:2]1[N:3]=[C:4]=[N:5][N:6]1[H:10])([H:7])([H:8])[H:9],"InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)","InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h6H,3H3",158.48719,107.72967,
470,[N:1]([c:2]1[n:3][c:4]([H:9])[n:5][n:6]1[H:10])([H:7])[H:8],[N:1](=[C:2]1[N:3]=[C:4]([H:9])[N-:5][N+:6]1([H:7])[H:10])[H:8],"InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)","InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,6H2,(H-,3,4,5)",68.04711999999999,33.68923,
471,[N:1]([c:2]1[n:3][c:4]([H:9])[n:5][n:6]1[H:10])([H:7])[H:8],[N:1]([C:2](=[N:3][H:9])[N:6]([N+:5]#[C-:4])[H:10])([H:7])[H:8],"InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)","InChI=1S/C2H4N4/c1-5-6-2(3)4/h(H4,3,4,6)",82.03081999999999,49.988279999999996,
472,[N:1]([c:2]1[n:3][c:4]([H:9])[n:5][n:6]1[H:10])([H:7])[H:8],[N:1]([C:2]1=[N:5][N:6]1[H:10])([H:7])[H:8].[N:3]#[C:4][H:9],"InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)","InChI=1S/CH3N3.CHN/c2-1-3-4-1;1-2/h(H3,2,3,4);1H",116.73299999999999,73.96258,
473,[N:1]([c:2]1[n:3][c:4]([H:9])[n:5][n:6]1[H:10])([H:7])[H:8],[N:1]([C@:2]1([H:10])[N:3]=[C:4]([H:9])[N:5]=[N:6]1)([H:7])[H:8],"InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)","InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1-2H,3H2/t2-/m1/s1",52.42066,39.736540000000005,
474,[N:1]([c:2]1[n:3][c:4]([H:9])[n:5][n:6]1[H:10])([H:7])[H:8],[N:1](=[c:2]1/[n:3]([H:8])[c:4]([H:9])[n:5][n:6]1[H:10])\[H:7],"InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)","InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)",51.5012,10.27085,
475,[N:1]([c:2]1[n:3][c:4]([H:9])[n:5][n:6]1[H:10])([H:7])[H:8],[N:1]([c:2]1[n:3][c:4]([H:9])[n:5]([H:10])[n:6]1)([H:7])[H:8],"InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)","InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)",43.4713,-0.55762,
476,[N:1]([c:2]1[n:3][c:4]([H:9])[n:5][n:6]1[H:10])([H:7])[H:8],[N:1]([C:2]#[N+:3]/[C:4](=[N:5]/[N-:6][H:10])[H:9])([H:7])[H:8],"InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)",InChI=1S/C2H3N4/c3-1-5-2-6-4/h2-4H/q-1/p+1/b6-2+,89.11861,61.062709999999996,
477,[N:1]([c:2]1[n:3][c:4]([H:9])[n:5][n:6]1[H:10])([H:7])[H:8],[N:1]([c:2]1[n:3]([H:10])[c:4]([H:9])[n:5][n:6]1)([H:7])[H:8],"InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)","InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)",52.85351,6.9275899999999995,
478,[N:1]([c:2]1[n:3][c:4]([H:9])[n:5][n:6]1[H:10])([H:7])[H:8],[N:1]([C:2]([N:3]=[C:4]=[N:5][H:9])=[N:6][H:10])([H:7])[H:8],"InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)","InChI=1S/C2H4N4/c3-1-6-2(4)5/h3H,(H3,4,5)",69.28214,0.32571,
479,[N:1]([c:2]1[n:3][c:4]([H:9])[n:5][n:6]1[H:10])([H:7])[H:8],[N:1]([C+:2][N:6]([N:5][C:4](=[N-:3])[H:9])[H:10])([H:7])[H:8],"InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)","InChI=1S/C2H4N4/c3-1-5-6-2-4/h1,6H,4H2",120.33098000000001,108.52196,
480,[N:1]([c:2]1[n:3][c:4]([H:9])[n:5][n:6]1[H:10])([H:7])[H:8],[C:4](#[N:5])[H:9].[N:1]([N:6]([C:2]#[N:3])[H:10])([H:7])[H:8],"InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)","InChI=1S/CH3N3.CHN/c2-1-4-3;1-2/h4H,3H2;1H",119.86135,52.97928,
481,[N:1]([c:2]1[n:3][c:4]([H:9])[n:5][n:6]1[H:10])([H:7])[H:8],[N:1](=[c:2]1\[n:3][c:4]([H:9])[n:5]([H:7])[n:6]1[H:10])\[H:8],"InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)","InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)",101.70096,20.3662,
482,[N:1]([c:2]1[n:3][c:4]([H:9])[n:5][n:6]1[H:10])([H:7])[H:8],[C:4](#[N+:5][N-:6][H:10])[H:9].[N:1]([C:2]#[N:3])([H:7])[H:8],"InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)",InChI=1S/2CH2N2/c1-3-2;2-1-3/h1-2H;2H2,74.15918,68.97575,
483,[N:1]([c:2]1[n:3][c:4]([H:9])[n:5][n:6]1[H:10])([H:7])[H:8],[N+:1]([c:2]1[n-:3][c:4]([H:9])[n:5][n:6]1)([H:7])([H:8])[H:10],"InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)","InChI=1S/C2H3N4/c3-2-4-1-5-6-2/h1H,(H2-,3,4,5,6)/q-1/p+1",52.75659,38.15202,
484,[N:1]([c:2]1[n:3][c:4]([H:9])[n:5][n:6]1[H:10])([H:7])[H:8],[C:4](#[N:5])[H:9].[N:1]([N:3]=[C:2]=[N:6][H:10])([H:7])[H:8],"InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)","InChI=1S/CH3N3.CHN/c2-1-4-3;1-2/h2H,3H2;1H",110.88152,52.76661,
485,[N:1]([c:2]1[n:3][c:4]([H:9])[n:5][n:6]1[H:10])([H:7])[H:8],[N:1]([C:2]([N:3]1[C:4]([H:9])=[N:5]1)=[N:6][H:10])([H:7])[H:8],"InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)","InChI=1S/C2H4N4/c3-2(4)6-1-5-6/h1H,(H3,3,4)",78.70371999999999,64.7434,
486,[N:1](=[C:2](/[O:3][C:4]([C:5]#[N:6])([H:9])[H:10])[H:8])\[H:7],[N:1]([C:2](=[O:3])[H:8])([N:6]=[C:5]=[C:4]([H:9])[H:10])[H:7],"InChI=1S/C3H4N2O/c4-1-2-6-3-5/h3,5H,2H2/b5-3+","InChI=1S/C3H4N2O/c1-2-4-5-3-6/h3H,1H2,(H,5,6)",47.49139,22.4718,
487,[N:1](=[C:2](/[O:3][C:4]([C:5]#[N:6])([H:9])[H:10])[H:8])\[H:7],[N:1]([C:2](=[O:3])[H:8])([C:4]([C:5]#[N:6])([H:9])[H:10])[H:7],"InChI=1S/C3H4N2O/c4-1-2-6-3-5/h3,5H,2H2/b5-3+","InChI=1S/C3H4N2O/c4-1-2-5-3-6/h3H,2H2,(H,5,6)",39.412409999999994,-16.030620000000003,ketoenol
488,[N:1](=[C:2](/[O:3][C:4]([C:5]#[N:6])([H:9])[H:10])[H:8])\[H:7],[N:1]([C:2](=[O:3])[H:8])([C:5]1=[N:6][C:4]1([H:9])[H:10])[H:7],"InChI=1S/C3H4N2O/c4-1-2-6-3-5/h3,5H,2H2/b5-3+","InChI=1S/C3H4N2O/c6-2-5-3-1-4-3/h2H,1H2,(H,4,5,6)",41.78032,14.689589999999999,
489,[N:1](=[C:2](/[O:3][C:4]([C:5]#[N:6])([H:9])[H:10])[H:8])\[H:7],[N:1](=[C:2]1/[O:3][C:4]([H:9])([H:10])[C-:5]=[N+:6]1[H:8])\[H:7],"InChI=1S/C3H4N2O/c4-1-2-6-3-5/h3,5H,2H2/b5-3+","InChI=1S/C3H4N2O/c4-3-5-1-2-6-3/h4-5H,2H2/b4-3+",72.01715,27.096459999999997,
490,[N:1](=[C:2](/[O:3][C:4]([C:5]#[N:6])([H:9])[H:10])[H:8])\[H:7],[N:1]1=[C:2]([H:8])[O:3][C:4]([H:9])([H:10])[C:5][N:6]1[H:7],"InChI=1S/C3H4N2O/c4-1-2-6-3-5/h3,5H,2H2/b5-3+","InChI=1S/C3H4N2O/c1-2-6-3-5-4-1/h3-4H,2H2",72.53968,55.01191,
491,[N:1](=[C:2](/[O:3][C:4]([C:5]#[N:6])([H:9])[H:10])[H:8])\[H:7],[N:1](=[C:2](/[O:3][C:4]([N+:6]#[C-:5])([H:9])[H:10])[H:8])\[H:7],"InChI=1S/C3H4N2O/c4-1-2-6-3-5/h3,5H,2H2/b5-3+","InChI=1S/C3H4N2O/c1-5-3-6-2-4/h2,4H,3H2/b4-2+",56.542030000000004,23.720860000000002,
492,[N:1](=[C:2](/[O:3][C:4]([C:5]#[N:6])([H:9])[H:10])[H:8])\[H:7],[N:1](=[C:2](/[O:3][C:4](=[C:5]=[N:6][H:10])[H:9])[H:8])\[H:7],"InChI=1S/C3H4N2O/c4-1-2-6-3-5/h3,5H,2H2/b5-3+",InChI=1S/C3H4N2O/c4-1-2-6-3-5/h2-5H/b5-3+,81.20331999999999,21.092779999999998,
493,[N:1](=[C:2](/[O:3][C:4]([C:5]#[N:6])([H:9])[H:10])[H:8])\[H:7],[N:1]([C-:2]=[O+:3][C:4]([C:5]#[N:6])([H:9])[H:10])([H:7])[H:8],"InChI=1S/C3H4N2O/c4-1-2-6-3-5/h3,5H,2H2/b5-3+","InChI=1S/C3H4N2O/c4-1-2-6-3-5/h2,5H2",78.18754,34.94005,
494,[N:1](=[C:2](/[O:3][C:4]([C:5]#[N:6])([H:9])[H:10])[H:8])\[H:7],[N:1](=[C:2](\[C:5]#[N:6])[H:8])\[H:7].[O:3]=[C:4]([H:9])[H:10],"InChI=1S/C3H4N2O/c4-1-2-6-3-5/h3,5H,2H2/b5-3+","InChI=1S/C2H2N2.CH2O/c3-1-2-4;1-2/h1,3H;1H2/b3-1-;",72.98680999999999,20.93686,
495,[N:1](=[C:2](/[O:3][C:4]([C:5]#[N:6])([H:9])[H:10])[H:8])\[H:7],[C:5](#[N:6])[H:10].[N:1](=[C:2](/[O+:3]=[C-:4][H:9])[H:8])\[H:7],"InChI=1S/C3H4N2O/c4-1-2-6-3-5/h3,5H,2H2/b5-3+",InChI=1S/C2H3NO.CHN/c1-4-2-3;1-2/h1-3H;1H/b3-2+;,83.16257,84.39275,
496,[N:1](=[C:2](/[O:3][C:4]([C:5]#[N:6])([H:9])[H:10])[H:8])\[H:7],[N:1]([C:2](=[O+:3][C:4](=[C:5]=[N-:6])[H:9])[H:8])([H:7])[H:10],"InChI=1S/C3H4N2O/c4-1-2-6-3-5/h3,5H,2H2/b5-3+","InChI=1S/C3H4N2O/c4-1-2-6-3-5/h2-3H,5H2",34.99893,29.701290000000004,
497,[N:1](=[C:2](/[O:3][C:4]([C:5]#[N:6])([H:9])[H:10])[H:8])\[H:7],[C+:4](=[C:5]=[N-:6])[H:9].[N:1](=[C:2](/[O:3][H:10])[H:8])\[H:7],"InChI=1S/C3H4N2O/c4-1-2-6-3-5/h3,5H,2H2/b5-3+","InChI=1S/C2HN.CH3NO/c1-2-3;2-1-3/h1H;1H,(H2,2,3)",78.47876,86.1606,
498,[N:1](=[C:2](/[O:3][C:4]([C:5]#[N:6])([H:9])[H:10])[H:8])\[H:7],[N:1](=[C:2]([H:8])[H:10])[H:7].[O:3]=[C:4]([C:5]#[N:6])[H:9],"InChI=1S/C3H4N2O/c4-1-2-6-3-5/h3,5H,2H2/b5-3+","InChI=1S/C2HNO.CH3N/c3-1-2-4;1-2/h2H;2H,1H2",74.84401,24.07447,
499,[N:1](=[C:2](/[O:3][C:4]([C:5]#[N:6])([H:9])[H:10])[H:8])\[H:7],[C:4](=[C:5]=[N:6][H:8])([H:9])[H:10].[N:1](=[C:2]=[O:3])[H:7],"InChI=1S/C3H4N2O/c4-1-2-6-3-5/h3,5H,2H2/b5-3+","InChI=1S/C2H3N.CHNO/c1-2-3;2-1-3/h3H,1H2;2H",46.85781,-0.44123999999999997,Retroene
500,[N:1](=[C:2](/[O:3][C:4]([C:5]#[N:6])([H:9])[H:10])[H:8])\[H:7],[n:1]1([H:7])[c:2]([H:8])[o+:3][c:4]([H:9])[c:5]1[N-:6][H:10],"InChI=1S/C3H4N2O/c4-1-2-6-3-5/h3,5H,2H2/b5-3+","InChI=1S/C3H4N2O/c4-3-1-6-2-5-3/h1-2,4-5H",86.88431,19.21705,
501,[C:1]([C:2]([C@@:3]([O:4][H:13])([C:5](=[O:6])[H:14])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3](=[O:4])[C:5](=[O:6])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9].[H:12][H:13],"InChI=1S/C4H8O2/c1-2-4(6)3-5/h3-4,6H,2H2,1H3/t4-/m1/s1","InChI=1S/C4H6O2.H2/c1-2-4(6)3-5;/h3H,2H2,1H3;1H",85.63758,26.14719,
502,[C:1]([C:2]([C@@:3]([O:4][H:13])([C:5](=[O:6])[H:14])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([H:7])([H:10])[H:11])([O:6]/[C:5](=[C:3](\[O:4][H:13])[H:12])[H:14])([H:8])[H:9],"InChI=1S/C4H8O2/c1-2-4(6)3-5/h3-4,6H,2H2,1H3/t4-/m1/s1","InChI=1S/C4H8O2/c1-2-6-4-3-5/h3-5H,2H2,1H3/b4-3-",77.27412,16.93355,ketoenol
503,[C:1]([C:2]([C@@:3]([O:4][H:13])([C:5](=[O:6])[H:14])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C@@:3]([O:4][H:13])([C:5][O:6][H:14])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-2-4(6)3-5/h3-4,6H,2H2,1H3/t4-/m1/s1","InChI=1S/C4H8O2/c1-2-4(6)3-5/h4-6H,2H2,1H3/t4-/m1/s1",80.47067,56.55803,
504,[C:1]([C:2]([C@@:3]([O:4][H:13])([C:5](=[O:6])[H:14])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3](=[O:4])[C:5]([O:6][H:13])([H:12])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-2-4(6)3-5/h3-4,6H,2H2,1H3/t4-/m1/s1","InChI=1S/C4H8O2/c1-2-4(6)3-5/h5H,2-3H2,1H3",32.479009999999995,-4.27494,
505,[C:1]([C:2]([C@@:3]([O:4][H:13])([C:5](=[O:6])[H:14])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C@@:3]1([H:12])[O:4][C@:5]1([O:6][H:13])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-2-4(6)3-5/h3-4,6H,2H2,1H3/t4-/m1/s1","InChI=1S/C4H8O2/c1-2-3-4(5)6-3/h3-5H,2H2,1H3/t3-,4-/m1/s1",49.41326,19.0585,
506,[C:1]([C:2]([C@@:3]([O:4][H:13])([C:5](=[O:6])[H:14])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([O:4][H:13])([H:9])[H:12])([H:10])[H:11])([C:5](=[O:6])[H:14])([H:7])[H:8],"InChI=1S/C4H8O2/c1-2-4(6)3-5/h3-4,6H,2H2,1H3/t4-/m1/s1","InChI=1S/C4H8O2/c5-3-1-2-4-6/h3,6H,1-2,4H2",91.20326999999999,3.81501,
507,[C:1]([C:2]([C@@:3]([O:4][H:13])([C:5](=[O:6])[H:14])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C-:5]#[O+:6].[C:1]([C:2]([C:3]([O:4][H:13])([H:12])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-2-4(6)3-5/h3-4,6H,2H2,1H3/t4-/m1/s1","InChI=1S/C3H8O.CO/c1-2-3-4;1-2/h4H,2-3H2,1H3;",74.83641999999999,3.4641699999999997,"1,2_Insertion_CO"
508,[C:1]([C:2]([C@@:3]([O:4][H:13])([C:5](=[O:6])[H:14])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:5](=[O:6])[H:14])([H:7])([H:8])[H:9].[C:2](=[C:3]([O:4][H:13])[H:12])([H:10])[H:11],"InChI=1S/C4H8O2/c1-2-4(6)3-5/h3-4,6H,2H2,1H3/t4-/m1/s1","InChI=1S/2C2H4O/c2*1-2-3/h2H,1H3;2-3H,1H2",80.60337,21.1534,
509,[C:1]([C:2]([C@@:3]([O:4][H:13])([C:5](=[O:6])[H:14])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3](=[O:4])[H:12])([C:5](=[O:6])[H:14])[H:11])([H:7])([H:8])[H:9].[H:10][H:13],"InChI=1S/C4H8O2/c1-2-4(6)3-5/h3-4,6H,2H2,1H3/t4-/m1/s1","InChI=1S/C4H6O2.H2/c1-4(2-5)3-6;/h2-4H,1H3;1H",78.98594,23.226689999999998,
510,[C:1]([C:2]([C@@:3]([O:4][H:13])([C:5](=[O:6])[H:14])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:4][H:13])([H:7])([H:8])[H:9].[C:2](=[C:3]([C:5](=[O:6])[H:14])[H:12])([H:10])[H:11],"InChI=1S/C4H8O2/c1-2-4(6)3-5/h3-4,6H,2H2,1H3/t4-/m1/s1","InChI=1S/C3H4O.CH4O/c1-2-3-4;1-2/h2-3H,1H2;2H,1H3",91.33807,27.80535,"1,3_Insertion_ROR"
511,[C:1]([C:2]([C@@:3]([O:4][H:13])([C:5](=[O:6])[H:14])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](/[C:3]([O:4][H:12])=[C:5](/[O:6][H:13])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-2-4(6)3-5/h3-4,6H,2H2,1H3/t4-/m1/s1","InChI=1S/C4H8O2/c1-2-4(6)3-5/h3,5-6H,2H2,1H3/b4-3-",58.6295,3.5864800000000003,ketoenol
512,[C:1]([C:2]([C@@:3]([O:4][H:13])([C:5](=[O:6])[H:14])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C-:5]#[O+:6].[C:1](/[C:2](=[C:3](/[O:4][H:13])[H:12])[H:11])([H:7])([H:8])[H:9].[H:10][H:14],"InChI=1S/C4H8O2/c1-2-4(6)3-5/h3-4,6H,2H2,1H3/t4-/m1/s1","InChI=1S/C3H6O.CO.H2/c1-2-3-4;1-2;/h2-4H,1H3;;1H/b3-2+;;",60.77069,28.42039,
513,[C:1]([C:2]([C@@:3]([O:4][H:13])([C:5](=[O:6])[H:14])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]1([H:7])([H:8])[C:2]([H:10])([H:11])[C:3]1([O:4][H:13])[C:5](=[O:6])[H:14].[H:9][H:12],"InChI=1S/C4H8O2/c1-2-4(6)3-5/h3-4,6H,2H2,1H3/t4-/m1/s1","InChI=1S/C4H6O2.H2/c5-3-4(6)1-2-4;/h3,6H,1-2H2;1H",74.05345,33.08757,
514,[C:1]([C:2]([C@@:3]([O:4][H:13])([C:5](=[O:6])[H:14])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](/[C:2](=[C:3](\[C:5](=[O:6])[H:14])[H:12])[H:11])([H:7])([H:8])[H:9].[O:4]([H:10])[H:13],"InChI=1S/C4H8O2/c1-2-4(6)3-5/h3-4,6H,2H2,1H3/t4-/m1/s1","InChI=1S/C4H6O.H2O/c1-2-3-4-5;/h2-4H,1H3;1H2/b3-2-;",62.8905,10.95479,"1,3_Insertion_ROR"
515,[C:1]([C:2]([C@@:3]([O:4][H:13])([C:5](=[O:6])[H:14])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C+:3]([O:4][H:13])=[C:5]([O-:6])[H:14].[C:1]([C:2]([H:10])([H:11])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-2-4(6)3-5/h3-4,6H,2H2,1H3/t4-/m1/s1","InChI=1S/C2H2O2.C2H6/c3-1-2-4;1-2/h1H,(H-,3,4);1-2H3",62.22655,68.45862,
516,[C:1]([C:2]([C@@:3]([O:4][H:13])([C:5](=[O:6])[H:14])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C-:5]#[O+:6].[C:1]([H:7])([H:8])([H:9])[H:14].[C:2](=[C:3]([O:4][H:13])[H:12])([H:10])[H:11],"InChI=1S/C4H8O2/c1-2-4(6)3-5/h3-4,6H,2H2,1H3/t4-/m1/s1","InChI=1S/C2H4O.CO.CH4/c1-2-3;1-2;/h2-3H,1H2;;1H4",78.89583,16.49257,
517,[O:1]([c:2]1[n:3][n:4]([H:8])[c:5]([H:9])[n:6]1)[H:7],[O-:1][c:2]1[n:3][n:4]([H:8])[c:5]([H:9])[n+:6]1[H:7],"InChI=1S/C2H3N3O/c6-2-3-1-4-5-2/h1H,(H2,3,4,5,6)","InChI=1S/C2H3N3O/c6-2-3-1-4-5-2/h1H,(H2,3,4,5,6)",41.59044,9.50605,ketoenol
518,[O:1]([c:2]1[n:3][n:4]([H:8])[c:5]([H:9])[n:6]1)[H:7],[O:1]([C:2](=[N:3])[N:6][C:5](=[N:4][H:8])[H:9])[H:7],"InChI=1S/C2H3N3O/c6-2-3-1-4-5-2/h1H,(H2,3,4,5,6)","InChI=1S/C2H3N3O/c3-1-5-2(4)6/h1,3,6H",71.4602,61.9817,ketoenol
519,[O:1]([c:2]1[n:3][n:4]([H:8])[c:5]([H:9])[n:6]1)[H:7],[O:1]([C:2](=[N:3][N:4]([H:8])[H:9])[N+:6]#[C-:5])[H:7],"InChI=1S/C2H3N3O/c6-2-3-1-4-5-2/h1H,(H2,3,4,5,6)","InChI=1S/C2H3N3O/c1-4-2(6)5-3/h3H2,(H,5,6)",70.6572,45.926190000000005,
520,[O:1]([c:2]1[n:3][n:4]([H:8])[c:5]([H:9])[n:6]1)[H:7],[O:1]=[c:2]1[n:3]([H:7])[n:4]([H:8])[c:5]([H:9])[n:6]1,"InChI=1S/C2H3N3O/c6-2-3-1-4-5-2/h1H,(H2,3,4,5,6)","InChI=1S/C2H3N3O/c6-2-3-1-4-5-2/h1H,(H2,3,4,5,6)",46.47237,7.9778899999999995,ketoenol
521,[O:1]([c:2]1[n:3][n:4]([H:8])[c:5]([H:9])[n:6]1)[H:7],[O:1]([N:6]=[C:2]=[N:3][N:4]([C:5][H:9])[H:8])[H:7],"InChI=1S/C2H3N3O/c6-2-3-1-4-5-2/h1H,(H2,3,4,5,6)","InChI=1S/C2H3N3O/c1-3-4-2-5-6/h1,3,6H",151.1095,128.92478,
522,[O:1]([c:2]1[n:3][n:4]([H:8])[c:5]([H:9])[n:6]1)[H:7],[O:1]([N:3]=[C:2]=[N:6][C:5](=[N:4][H:8])[H:9])[H:7],"InChI=1S/C2H3N3O/c6-2-3-1-4-5-2/h1H,(H2,3,4,5,6)","InChI=1S/C2H3N3O/c3-1-4-2-5-6/h1,3,6H",86.31076999999999,57.79779,
523,[O:1]([c:2]1[n:3][n:4]([H:8])[c:5]([H:9])[n:6]1)[H:7],[O:1]([C:2]1=[N:6][C:5]([H:8])([H:9])[N:4]=[N:3]1)[H:7],"InChI=1S/C2H3N3O/c6-2-3-1-4-5-2/h1H,(H2,3,4,5,6)","InChI=1S/C2H3N3O/c6-2-3-1-4-5-2/h1H2,(H,3,6)",45.88354,25.64036,
524,[O:1]([c:2]1[n:3][n:4]([H:8])[c:5]([H:9])[n:6]1)[H:7],[C:5](#[N:6])[H:9].[O:1]([C:2]#[N+:3][N-:4][H:8])[H:7],"InChI=1S/C2H3N3O/c6-2-3-1-4-5-2/h1H,(H2,3,4,5,6)","InChI=1S/CH2N2O.CHN/c2-3-1-4;1-2/h2,4H;1H",79.1406,78.47846,
525,[O:1]([c:2]1[n:3][n:4]([H:8])[c:5]([H:9])[n:6]1)[H:7],[O:1]([c:2]1[n:3]([H:8])[n:4][c:5]([H:9])[n:6]1)[H:7],"InChI=1S/C2H3N3O/c6-2-3-1-4-5-2/h1H,(H2,3,4,5,6)","InChI=1S/C2H3N3O/c6-2-3-1-4-5-2/h1H,(H2,3,4,5,6)",46.1781,4.71611,
526,[O:1]([c:2]1[n:3][n:4]([H:8])[c:5]([H:9])[n:6]1)[H:7],[O:1]([N+:6]1=[C:2]=[N:3][N:4]([H:8])[C-:5]1[H:9])[H:7],"InChI=1S/C2H3N3O/c6-2-3-1-4-5-2/h1H,(H2,3,4,5,6)","InChI=1S/C2H3N3O/c6-5-1-3-4-2-5/h1,3,6H",138.70141,88.15525,
527,[O:1]([c:2]1[n:3][n:4]([H:8])[c:5]([H:9])[n:6]1)[H:7],[O:1]([C:2]1=[N:6][C@@:5]1([N+:4](=[N-:3])[H:8])[H:9])[H:7],"InChI=1S/C2H3N3O/c6-2-3-1-4-5-2/h1H,(H2,3,4,5,6)","InChI=1S/C2H3N3O/c3-5-1-2(6)4-1/h1,5H,(H,4,6)/t1-/m1/s1",115.87693999999999,92.27071,
528,[C:1]([n:2]1[c:3]([H:10])[n:4][n:5][n:6]1)([H:7])([H:8])[H:9],[C:1]([N-:6][N+:2]#[C:3][H:10])([H:7])([H:8])[H:9].[N:4]#[N:5],"InChI=1S/C2H4N4/c1-6-2-3-4-5-6/h2H,1H3","InChI=1S/C2H4N2.N2/c1-3-4-2;1-2/h1H,2H3;",98.54188,3.6701599999999996,
529,[C:1]([n:2]1[c:3]([H:10])[n:4][n:5][n:6]1)([H:7])([H:8])[H:9],[C:1]([n:6]1[n:2][c:3]([H:10])[n:4][n:5]1)([H:7])([H:8])[H:9],"InChI=1S/C2H4N4/c1-6-2-3-4-5-6/h2H,1H3","InChI=1S/C2H4N4/c1-6-4-2-3-5-6/h2H,1H3",60.51557,-3.9240800000000005,
530,[C:1]([n:2]1[c:3]([H:10])[n:4][n:5][n:6]1)([H:7])([H:8])[H:9],[C:1](=[N+:2]1[C:3]([H:10])=[N:4][N:5]([H:7])[N-:6]1)([H:8])[H:9],"InChI=1S/C2H4N4/c1-6-2-3-4-5-6/h2H,1H3","InChI=1S/C2H4N4/c1-6-2-3-4-5-6/h2,4H,1H2",112.30583999999999,37.90952,
531,[C:1]([n:2]1[c:3]([H:10])[n:4][n:5][n:6]1)([H:7])([H:8])[H:9],[C:1]([N:2]=[C:3]([N:4]=[N+:5]=[N-:6])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C2H4N4/c1-6-2-3-4-5-6/h2H,1H3","InChI=1S/C2H4N4/c1-4-2-5-6-3/h2H,1H3",21.889,8.281130000000001,
532,[C:1]([n:2]1[c:3]([H:10])[n:4][n:5][n:6]1)([H:7])([H:8])[H:9],[C:1]([N:2]=[N+:6]=[N-:5])([H:7])([H:8])[H:9].[C:3](#[N:4])[H:10],"InChI=1S/C2H4N4/c1-6-2-3-4-5-6/h2H,1H3",InChI=1S/CH3N3.CHN/c1-3-4-2;1-2/h1H3;1H,41.36869,22.2661,
533,[C:1]([n:2]1[c:3]([H:10])[n:4][n:5][n:6]1)([H:7])([H:8])[H:9],[C:1]([N:2]1[C:3]([H:10])=[N+:4][N-:5][N:6]1[H:7])([H:8])[H:9],"InChI=1S/C2H4N4/c1-6-2-3-4-5-6/h2H,1H3","InChI=1S/C2H4N4/c1-6-2-3-4-5-6/h2,5H,1H2",72.41447,45.851620000000004,
534,[C:1]([n:2]1[c:3]([H:10])[n:4][n:5][n:6]1)([H:7])([H:8])[H:9],[C:1](=[N+:2]1[C:3]([H:7])([H:10])[N:4]=[N:5][N-:6]1)([H:8])[H:9],"InChI=1S/C2H4N4/c1-6-2-3-4-5-6/h2H,1H3",InChI=1S/C2H4N4/c1-6-2-3-4-5-6/h1-2H2,97.3591,40.088640000000005,
535,[C:1]([n:2]1[c:3]([H:10])[n:4][n:5][n:6]1)([H:7])([H:8])[H:9],[C:1]([N:2]=[C:3]=[N:4][H:10])([H:7])([H:8])[H:9].[N:5]#[N:6],"InChI=1S/C2H4N4/c1-6-2-3-4-5-6/h2H,1H3","InChI=1S/C2H4N2.N2/c1-4-2-3;1-2/h3H,1H3;",39.83228,-46.16661,
536,[O:1]([N:2]=[C:3]1[C:4]([H:8])([H:9])[O:5][C:6]1([H:10])[H:11])[H:7],[O:1]([N:2]([C:3]1=[C:6]([H:11])[O:5][C:4]1([H:8])[H:9])[H:10])[H:7],"InChI=1S/C3H5NO2/c5-4-3-1-6-2-3/h5H,1-2H2","InChI=1S/C3H5NO2/c5-4-3-1-6-2-3/h1,4-5H,2H2",72.50873,20.8271,
537,[O:1]([N:2]=[C:3]1[C:4]([H:8])([H:9])[O:5][C:6]1([H:10])[H:11])[H:7],[O:1]([N:2]1[C@:3]2([C:4]([H:8])([H:9])[O:5]2)[C:6]1([H:10])[H:11])[H:7],"InChI=1S/C3H5NO2/c5-4-3-1-6-2-3/h5H,1-2H2","InChI=1S/C3H5NO2/c5-4-1-3(4)2-6-3/h5H,1-2H2/t3-,4?/m1/s1",55.95535,32.931459999999994,
538,[O:1]([N:2]=[C:3]1[C:4]([H:8])([H:9])[O:5][C:6]1([H:10])[H:11])[H:7],[C:4](=[O:5])([H:8])[H:9].[O:1]([C:6]([C:3]#[N:2])([H:10])[H:11])[H:7],"InChI=1S/C3H5NO2/c5-4-3-1-6-2-3/h5H,1-2H2","InChI=1S/C2H3NO.CH2O/c3-1-2-4;1-2/h4H,2H2;1H2",62.10921999999999,-31.224829999999997,
539,[O:1]([N:2]=[C:3]1[C:4]([H:8])([H:9])[O:5][C:6]1([H:10])[H:11])[H:7],[H:7][H:10].[O:1]=[N:2][C:3]1=[C:6]([H:11])[O:5][C:4]1([H:8])[H:9],"InChI=1S/C3H5NO2/c5-4-3-1-6-2-3/h5H,1-2H2","InChI=1S/C3H3NO2.H2/c5-4-3-1-6-2-3;/h1H,2H2;1H",49.37323,44.613479999999996,
540,[O:1]([N:2]=[C:3]1[C:4]([H:8])([H:9])[O:5][C:6]1([H:10])[H:11])[H:7],[O:1]([C:3]1=[N:2][C:4]([H:8])([H:9])[O:5][C:6]1([H:10])[H:11])[H:7],"InChI=1S/C3H5NO2/c5-4-3-1-6-2-3/h5H,1-2H2","InChI=1S/C3H5NO2/c5-3-1-6-2-4-3/h1-2H2,(H,4,5)",64.49558,-56.9241,
541,[O:1]([N:2]=[C:3]1[C:4]([H:8])([H:9])[O:5][C:6]1([H:10])[H:11])[H:7],[O-:1][N+:2]#[C:3][C:4]([O:5][C:6]([H:7])([H:10])[H:11])([H:8])[H:9],"InChI=1S/C3H5NO2/c5-4-3-1-6-2-3/h5H,1-2H2","InChI=1S/C3H5NO2/c1-6-3-2-4-5/h3H2,1H3",56.528999999999996,2.34985,
542,[O:1]([N:2]=[C:3]1[C:4]([H:8])([H:9])[O:5][C:6]1([H:10])[H:11])[H:7],[O:1](/[N:2]=[C:3](/[C:4][H:8])[C:6]([O:5][H:9])([H:10])[H:11])[H:7],"InChI=1S/C3H5NO2/c5-4-3-1-6-2-3/h5H,1-2H2","InChI=1S/C3H5NO2/c1-3(2-5)4-6/h1,5-6H,2H2/b4-3-",55.6337,52.45584,
543,[O:1]([N:2]=[C:3]1[C:4]([H:8])([H:9])[O:5][C:6]1([H:10])[H:11])[H:7],[O:1]([N-:2][C@@:3]1([H:10])[C:4]([H:8])([H:9])[O+:5]=[C:6]1[H:11])[H:7],"InChI=1S/C3H5NO2/c5-4-3-1-6-2-3/h5H,1-2H2","InChI=1S/C3H5NO2/c5-4-3-1-6-2-3/h1,3,5H,2H2/t3-/m1/s1",65.09846999999999,65.56413,
544,[O:1]([N:2]=[C:3]1[C:4]([H:8])([H:9])[O:5][C:6]1([H:10])[H:11])[H:7],[O-:1][N:2]([C+:3]1[C:4]([H:8])([H:9])[O:5][C:6]1([H:10])[H:11])[H:7],"InChI=1S/C3H5NO2/c5-4-3-1-6-2-3/h5H,1-2H2","InChI=1S/C3H5NO2/c5-4-3-1-6-2-3/h4H,1-2H2",50.69008,17.986279999999997,
545,[O:1]([N:2]=[C:3]1[C:4]([H:8])([H:9])[O:5][C:6]1([H:10])[H:11])[H:7],[H:9][H:10].[O:1]([N-:2][C:3]1=[C:4]([H:8])[O+:5]=[C:6]1[H:11])[H:7],"InChI=1S/C3H5NO2/c5-4-3-1-6-2-3/h5H,1-2H2","InChI=1S/C3H3NO2.H2/c5-4-3-1-6-2-3;/h1-2,5H;1H",79.54482,74.14582,
546,[O:1]([N:2]=[C:3]1[C:4]([H:8])([H:9])[O:5][C:6]1([H:10])[H:11])[H:7],[H:10][H:11].[O:1](/[N:2]=[C:3]1/[C:4]([H:8])([H:9])[O+:5]=[C-:6]1)[H:7],"InChI=1S/C3H5NO2/c5-4-3-1-6-2-3/h5H,1-2H2","InChI=1S/C3H3NO2.H2/c5-4-3-1-6-2-3;/h5H,1H2;1H/b4-3-;",74.89614,71.43151,
547,[O:1]([N:2]=[C:3]1[C:4]([H:8])([H:9])[O:5][C:6]1([H:10])[H:11])[H:7],[O:1]=[N:2][C:3]1([H:7])[C:4]([H:8])([H:9])[O:5][C:6]1([H:10])[H:11],"InChI=1S/C3H5NO2/c5-4-3-1-6-2-3/h5H,1-2H2","InChI=1S/C3H5NO2/c5-4-3-1-6-2-3/h3H,1-2H2",64.10084,21.09009,ketoenol
548,[O:1]([N:2]=[C:3]1[C:4]([H:8])([H:9])[O:5][C:6]1([H:10])[H:11])[H:7],[N-:2]=[C:3]1[C:4]([H:8])([H:9])[O+:5]=[C:6]1[H:10].[O:1]([H:7])[H:11],"InChI=1S/C3H5NO2/c5-4-3-1-6-2-3/h5H,1-2H2","InChI=1S/C3H3NO.H2O/c4-3-1-5-2-3;/h1H,2H2;1H2",64.77757,34.16418,
549,[C:1]([C:2]([N:3]1[C:4]([H:12])([H:13])[C@:5]1([C:6]([H:15])([H:16])[H:17])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:5]([N:3]1[C:2]([H:10])([H:11])[C:4]1([H:12])[H:13])([C:6]([H:15])([H:16])[H:17])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C5H11N/c1-3-6-4-5(6)2/h5H,3-4H2,1-2H3/t5-,6?/m1/s1","InChI=1S/C5H11N/c1-5(2)6-3-4-6/h5H,3-4H2,1-2H3",94.32977,0.843,
550,[C:1]([C:2]([N:3]1[C:4]([H:12])([H:13])[C@:5]1([C:6]([H:15])([H:16])[H:17])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([N+:3]([C-:4]([H:12])[H:13])=[C:5]([C:6]([H:15])([H:16])[H:17])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H11N/c1-3-6-4-5(6)2/h5H,3-4H2,1-2H3/t5-,6?/m1/s1","InChI=1S/C5H11N/c1-4-6(3)5-2/h4H,3,5H2,1-2H3",37.4412,22.23125,
551,[C:1]([C:2]([N:3]1[C:4]([H:12])([H:13])[C@:5]1([C:6]([H:15])([H:16])[H:17])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([N+:3]1([H:13])[C-:4]([H:12])[C@:5]1([C:6]([H:15])([H:16])[H:17])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H11N/c1-3-6-4-5(6)2/h5H,3-4H2,1-2H3/t5-,6?/m1/s1","InChI=1S/C5H11N/c1-3-6-4-5(6)2/h4-6H,3H2,1-2H3/t5-/m1/s1",62.727869999999996,52.27832,
552,[C:1]([C:2]([N:3]1[C:4]([H:12])([H:13])[C@:5]1([C:6]([H:15])([H:16])[H:17])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([N+:3]1([H:14])[C:4]([H:12])([H:13])[C-:5]1[C:6]([H:15])([H:16])[H:17])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H11N/c1-3-6-4-5(6)2/h5H,3-4H2,1-2H3/t5-,6?/m1/s1","InChI=1S/C5H11N/c1-3-6-4-5(6)2/h6H,3-4H2,1-2H3",69.83572,50.949940000000005,
553,[C:1]([C:2]([N:3]1[C:4]([H:12])([H:13])[C@:5]1([C:6]([H:15])([H:16])[H:17])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]([H:10])[H:11])([H:8])[H:9].[H:7][H:12].[N:3]1=[C:4]([H:13])[C@:5]1([C:6]([H:15])([H:16])[H:17])[H:14],"InChI=1S/C5H11N/c1-3-6-4-5(6)2/h5H,3-4H2,1-2H3/t5-,6?/m1/s1","InChI=1S/C3H5N.C2H4.H2/c1-3-2-4-3;1-2;/h2-3H,1H3;1-2H2;1H/t3-;;/m1../s1",73.25658,55.27893,
554,[C:1]([C:2]([N:3]1[C:4]([H:12])([H:13])[C@:5]1([C:6]([H:15])([H:16])[H:17])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:4](/[N:3]=[C:5](/[C:6]([H:15])([H:16])[H:17])[H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H11N/c1-3-6-4-5(6)2/h5H,3-4H2,1-2H3/t5-,6?/m1/s1","InChI=1S/C5H11N/c1-3-5-6-4-2/h4H,3,5H2,1-2H3/b6-4+",86.95165,-18.76352,
555,[C:1]([C:2]([N:3]1[C:4]([H:12])([H:13])[C@:5]1([C:6]([H:15])([H:16])[H:17])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9],[C-:2]([N+:3]1=[C:4]([H:13])[C@:5]1([C:6]([H:15])([H:16])[H:17])[H:14])([H:10])[H:11].[C:1]([H:7])([H:8])([H:9])[H:12],"InChI=1S/C5H11N/c1-3-6-4-5(6)2/h5H,3-4H2,1-2H3/t5-,6?/m1/s1","InChI=1S/C4H7N.CH4/c1-4-3-5(4)2;/h3-4H,2H2,1H3;1H4/t4-;/m1./s1",77.02975,52.06145,
556,[C:1]([C:2]([N:3]1[C:4]([H:12])([H:13])[C@:5]1([C:6]([H:15])([H:16])[H:17])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([N+:3]1([C:6]([H:15])([H:16])[H:17])[C:4]([H:12])([H:13])[C-:5]1[H:14])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H11N/c1-3-6-4-5(6)2/h5H,3-4H2,1-2H3/t5-,6?/m1/s1","InChI=1S/C5H11N/c1-3-6(2)4-5-6/h4H,3,5H2,1-2H3",100.88385,60.091159999999995,
557,[C:1]([C:2]([N:3]1[C:4]([H:12])([H:13])[C@:5]1([C:6]([H:15])([H:16])[H:17])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C-:2]([N+:3]1=[C:5]([H:14])[C:4]1([H:12])[H:13])[H:11])([H:7])([H:8])[H:9].[C:6]([H:10])([H:15])([H:16])[H:17],"InChI=1S/C5H11N/c1-3-6-4-5(6)2/h5H,3-4H2,1-2H3/t5-,6?/m1/s1","InChI=1S/C4H7N.CH4/c1-2-5-3-4-5;/h2-3H,4H2,1H3;1H4",83.15736,52.841969999999996,
558,[C:1]([C:2]([N:3]1[C:4]([H:12])([H:13])[C@:5]1([C:6]([H:15])([H:16])[H:17])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C-:2]([N+:3]1=[C:4]([H:13])[C@:5]1([C:6]([H:15])([H:16])[H:17])[H:14])[H:11])([H:7])([H:8])[H:9].[H:10][H:12],"InChI=1S/C5H11N/c1-3-6-4-5(6)2/h5H,3-4H2,1-2H3/t5-,6?/m1/s1","InChI=1S/C5H9N.H2/c1-3-6-4-5(6)2;/h3-5H,1-2H3;1H/t5-;/m1./s1",67.56614,62.55838000000001,
559,[C:1]([C:2]([N:3]1[C:4]([H:12])([H:13])[C@:5]1([C:6]([H:15])([H:16])[H:17])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C-:2]([N+:3]1=[C:5]([C:6]([H:15])([H:16])[H:17])[C:4]1([H:12])[H:13])[H:11])([H:7])([H:8])[H:9].[H:10][H:14],"InChI=1S/C5H11N/c1-3-6-4-5(6)2/h5H,3-4H2,1-2H3/t5-,6?/m1/s1","InChI=1S/C5H9N.H2/c1-3-6-4-5(6)2;/h3H,4H2,1-2H3;1H",66.32982,61.77666,
560,[C:1]([C:2]([N:3]1[C:4]([H:12])([H:13])[C@:5]1([C:6]([H:15])([H:16])[H:17])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C-:2]([N+:3]([C:4]([H:10])([H:12])[H:13])=[C:5]([C:6]([H:15])([H:16])[H:17])[H:14])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H11N/c1-3-6-4-5(6)2/h5H,3-4H2,1-2H3/t5-,6?/m1/s1","InChI=1S/C5H11N/c1-4-6(3)5-2/h4-5H,1-3H3",99.33551999999999,19.023220000000002,
561,[C:1]([C:2]([N:3]1[C:4]([H:12])([H:13])[C@:5]1([C:6]([H:15])([H:16])[H:17])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9],[C-:2]([N+:3]1=[C:5]([C:6]([H:15])([H:16])[H:17])[C:4]1([H:12])[H:13])([H:10])[H:11].[C:1]([H:7])([H:8])([H:9])[H:14],"InChI=1S/C5H11N/c1-3-6-4-5(6)2/h5H,3-4H2,1-2H3/t5-,6?/m1/s1","InChI=1S/C4H7N.CH4/c1-4-3-5(4)2;/h2-3H2,1H3;1H4",75.8242,51.29394,
562,[C:1]([C:2]([N:3]1[C:4]([H:12])([H:13])[C@:5]1([C:6]([H:15])([H:16])[H:17])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]([N:3]1[C:4]([H:12])([H:13])[C@:5]1([C:6]([H:15])([H:16])[H:17])[H:14])[H:11])([H:8])[H:9].[H:7][H:10],"InChI=1S/C5H11N/c1-3-6-4-5(6)2/h5H,3-4H2,1-2H3/t5-,6?/m1/s1","InChI=1S/C5H9N.H2/c1-3-6-4-5(6)2;/h3,5H,1,4H2,2H3;1H/t5-,6?;/m1./s1",96.63391999999999,27.176090000000002,
563,[C:1]([C:2]([N:3]1[C:4]([H:12])([H:13])[C@:5]1([C:6]([H:15])([H:16])[H:17])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]([H:10])[H:11])([H:8])[H:9].[H:7][H:14].[N:3]1=[C:5]([C:6]([H:15])([H:16])[H:17])[C:4]1([H:12])[H:13],"InChI=1S/C5H11N/c1-3-6-4-5(6)2/h5H,3-4H2,1-2H3/t5-,6?/m1/s1","InChI=1S/C3H5N.C2H4.H2/c1-3-2-4-3;1-2;/h2H2,1H3;1-2H2;1H",71.43097,49.59017,
564,[O:1]([c:2]1[c:3]([H:8])[n:4]([H:9])[n:5][c:6]1[H:10])[H:7],[O:1]([C@@:3]1([H:8])[C+:2]=[C:6]([H:10])[N-:5][N:4]1[H:9])[H:7],"InChI=1S/C3H4N2O/c6-3-1-4-5-2-3/h1-2,6H,(H,4,5)","InChI=1S/C3H4N2O/c6-3-1-2-4-5-3/h2-3,5-6H/t3-/m0/s1",92.89836,80.64206999999999,
565,[O:1]([c:2]1[c:3]([H:8])[n:4]([H:9])[n:5][c:6]1[H:10])[H:7],[O:1]([C:2]1([H:9])[C:3]([H:8])=[N:4][N:5]=[C:6]1[H:10])[H:7],"InChI=1S/C3H4N2O/c6-3-1-4-5-2-3/h1-2,6H,(H,4,5)","InChI=1S/C3H4N2O/c6-3-1-4-5-2-3/h1-3,6H",47.07268,31.61347,
566,[O:1]([c:2]1[c:3]([H:8])[n:4]([H:9])[n:5][c:6]1[H:10])[H:7],[O:1]=[C:2]1[C+:3]([H:8])[N:4]([H:9])[N-:5][C:6]1([H:7])[H:10],"InChI=1S/C3H4N2O/c6-3-1-4-5-2-3/h1-2,6H,(H,4,5)","InChI=1S/C3H4N2O/c6-3-1-4-5-2-3/h1,4H,2H2",61.5817,22.96126,
567,[O:1]([c:2]1[c:3]([H:8])[n:4]([H:9])[n:5][c:6]1[H:10])[H:7],[N-:4]([N+:5]#[C:6][H:10])[H:9].[O:1]([C:2]#[C:3][H:8])[H:7],"InChI=1S/C3H4N2O/c6-3-1-4-5-2-3/h1-2,6H,(H,4,5)","InChI=1S/C2H2O.CH2N2/c1-2-3;1-3-2/h1,3H;1-2H",101.50034000000001,97.01948,
568,[O:1]([c:2]1[c:3]([H:8])[n:4]([H:9])[n:5][c:6]1[H:10])[H:7],[O:1]([C@:2]1(/[C:3](=[N:4]/[H:9])[H:8])[N:5]=[C:6]1[H:10])[H:7],"InChI=1S/C3H4N2O/c6-3-1-4-5-2-3/h1-2,6H,(H,4,5)","InChI=1S/C3H4N2O/c4-1-3(6)2-5-3/h1-2,4,6H/b4-1+/t3-/m0/s1",64.02091,36.68479,
569,[O:1]([c:2]1[c:3]([H:8])[n:4]([H:9])[n:5][c:6]1[H:10])[H:7],[O:1]([C@@:2](/[C:3](=[N:4]/[H:9])[H:8])([C:6]#[N:5])[H:10])[H:7],"InChI=1S/C3H4N2O/c6-3-1-4-5-2-3/h1-2,6H,(H,4,5)","InChI=1S/C3H4N2O/c4-1-3(6)2-5/h1,3-4,6H/b4-1+/t3-/m0/s1",73.25536,8.347339999999999,
570,[O:1]([c:2]1[c:3]([H:8])[n:4]([H:9])[n:5][c:6]1[H:10])[H:7],[O:1]([C:2]1=[C:6]([H:10])[N:5]=[N:4][C:3]1([H:8])[H:9])[H:7],"InChI=1S/C3H4N2O/c6-3-1-4-5-2-3/h1-2,6H,(H,4,5)","InChI=1S/C3H4N2O/c6-3-1-4-5-2-3/h1,6H,2H2",47.05295,25.37955,
571,[O:1]([c:2]1[c:3]([H:8])[n:4]([H:9])[n:5][c:6]1[H:10])[H:7],[O:1]([C:6](=[C:2]=[C:3]([N:4]([N:5])[H:9])[H:8])[H:10])[H:7],"InChI=1S/C3H4N2O/c6-3-1-4-5-2-3/h1-2,6H,(H,4,5)","InChI=1S/C3H4N2O/c4-5-2-1-3-6/h2-3,5-6H",145.18525,75.2012,
572,[O:1]([c:2]1[c:3]([H:8])[n:4]([H:9])[n:5][c:6]1[H:10])[H:7],[O:1]([C:3](=[C:2]=[C:6](/[N:5]=[N:4]/[H:9])[H:10])[H:8])[H:7],"InChI=1S/C3H4N2O/c6-3-1-4-5-2-3/h1-2,6H,(H,4,5)","InChI=1S/C3H4N2O/c4-5-2-1-3-6/h2-4,6H/b5-4+",91.56862,61.34004,
573,[O:1]([c:2]1[c:3]([H:8])[n:4]([H:9])[n:5][c:6]1[H:10])[H:7],[O:1]=[C:2]1[C:3]([H:7])([H:8])[N:4]([H:9])[N:5]=[C:6]1[H:10],"InChI=1S/C3H4N2O/c6-3-1-4-5-2-3/h1-2,6H,(H,4,5)","InChI=1S/C3H4N2O/c6-3-1-4-5-2-3/h1,5H,2H2",61.572230000000005,7.44433,ketoenol
574,[O:1]([c:2]1[c:3]([H:8])[n:4]([H:9])[n:5][c:6]1[H:10])[H:7],[O:1]([C@:2]1([H:8])[C:3][N:4]([H:9])[N:5]=[C:6]1[H:10])[H:7],"InChI=1S/C3H4N2O/c6-3-1-4-5-2-3/h1-2,6H,(H,4,5)","InChI=1S/C3H4N2O/c6-3-1-4-5-2-3/h1,3,5-6H/t3-/m0/s1",62.38045,60.51985,Singlet_Carbene_Intra_Disproportionation
575,[O:1]([c:2]1[c:3]([H:8])[n:4]([H:9])[n:5][c:6]1[H:10])[H:7],[O:1]([C:2]1=[C-:3][N+:4]([H:8])([H:9])[N:5]=[C:6]1[H:10])[H:7],"InChI=1S/C3H4N2O/c6-3-1-4-5-2-3/h1-2,6H,(H,4,5)","InChI=1S/C3H4N2O/c6-3-1-4-5-2-3/h1,6H,5H2",79.04061999999999,65.16221,
576,[O:1]([c:2]1[c:3]([H:8])[n:4]([H:9])[n:5][c:6]1[H:10])[H:7],[O:1]([c:2]1[c+:3]([H:8])[n:4]([H:9])[n:5]([H:10])[c-:6]1)[H:7],"InChI=1S/C3H4N2O/c6-3-1-4-5-2-3/h1-2,6H,(H,4,5)","InChI=1S/C3H4N2O/c6-3-1-4-5-2-3/h1,4-6H",76.80444,53.09244,
577,[O:1]([c:2]1[c:3]([H:8])[n:4]([H:9])[n:5][c:6]1[H:10])[H:7],[O:1]([C:2]([C:3](=[N:4][H:9])[H:8])=[C:6]=[N:5][H:10])[H:7],"InChI=1S/C3H4N2O/c6-3-1-4-5-2-3/h1-2,6H,(H,4,5)","InChI=1S/C3H4N2O/c4-1-3(6)2-5/h1,4-6H",72.26399,20.754360000000002,
578,[O:1]([c:2]1[c:3]([H:8])[n:4]([H:9])[n:5][c:6]1[H:10])[H:7],[O:1]([C@:6]1([H:10])[C+:2]=[C:3]([H:8])[N:4]([H:9])[N-:5]1)[H:7],"InChI=1S/C3H4N2O/c6-3-1-4-5-2-3/h1-2,6H,(H,4,5)","InChI=1S/C3H4N2O/c6-3-1-2-4-5-3/h2-4,6H/t3-/m1/s1",102.95442,80.1736,
579,[O:1]([c:2]1[c:3]([H:8])[n:4]([H:9])[n:5][c:6]1[H:10])[H:7],[O:1]([C:2]1=[C:6]([H:10])[C@@:3]1([N:4]([N:5])[H:9])[H:8])[H:7],"InChI=1S/C3H4N2O/c6-3-1-4-5-2-3/h1-2,6H,(H,4,5)","InChI=1S/C3H4N2O/c4-5-2-1-3(2)6/h1-2,5-6H/t2-/m0/s1",126.42817,89.01263,
580,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@@:4]2([H:11])[N:5]([H:12])[C@@:6]12[H:13])[H:7],[O:1](/[C:2](=[C:6](\[N:5]([C:4](=[C:3]([H:9])[H:10])[H:11])[H:12])[H:13])[H:8])[H:7],"InChI=1S/C4H7NO/c6-3-1-2-4(3)5-2/h2-6H,1H2/t2-,3+,4-/m1/s1","InChI=1S/C4H7NO/c1-2-5-3-4-6/h2-6H,1H2/b4-3-",60.75405,-23.66785,
581,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@@:4]2([H:11])[N:5]([H:12])[C@@:6]12[H:13])[H:7],[O:1]=[C:2]([C:3]([C@@:4]1([H:11])[N+:5]([H:7])([H:12])[C-:6]1[H:13])([H:9])[H:10])[H:8],"InChI=1S/C4H7NO/c6-3-1-2-4(3)5-2/h2-6H,1H2/t2-,3+,4-/m1/s1","InChI=1S/C4H7NO/c6-2-1-4-3-5-4/h2-4H,1,5H2/t4-/m1/s1",26.94254,34.46658,
582,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@@:4]2([H:11])[N:5]([H:12])[C@@:6]12[H:13])[H:7],[O:1]([C@@:2]([C:3]([C:4][H:11])([H:9])[H:10])(/[C:6](=[N:5]/[H:12])[H:13])[H:8])[H:7],"InChI=1S/C4H7NO/c6-3-1-2-4(3)5-2/h2-6H,1H2/t2-,3+,4-/m1/s1","InChI=1S/C4H7NO/c1-2-4(6)3-5/h1,3-6H,2H2/b5-3+/t4-/m0/s1",54.697919999999996,55.623909999999995,
583,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@@:4]2([H:11])[N:5]([H:12])[C@@:6]12[H:13])[H:7],[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[N+:5]2([H:12])[C-:4]([H:11])[C@:6]12[H:13])[H:7],"InChI=1S/C4H7NO/c6-3-1-2-4(3)5-2/h2-6H,1H2/t2-,3+,4-/m1/s1","InChI=1S/C4H7NO/c6-4-2-5-1-3(4)5/h1,3-6H,2H2/t3-,4+/m1/s1",100.8324,59.77489,
584,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@@:4]2([H:11])[N:5]([H:12])[C@@:6]12[H:13])[H:7],[O:1]([C:2][C:3]([C@@:4]1([H:11])[N:5]([H:12])[C:6]1([H:8])[H:13])([H:9])[H:10])[H:7],"InChI=1S/C4H7NO/c6-3-1-2-4(3)5-2/h2-6H,1H2/t2-,3+,4-/m1/s1","InChI=1S/C4H7NO/c6-2-1-4-3-5-4/h4-6H,1,3H2/t4-/m1/s1",57.68436,42.46795,
585,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@@:4]2([H:11])[N:5]([H:12])[C@@:6]12[H:13])[H:7],[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C-:4]([H:11])[N:5]([H:12])[C+:6]1[H:13])[H:7],"InChI=1S/C4H7NO/c6-3-1-2-4(3)5-2/h2-6H,1H2/t2-,3+,4-/m1/s1","InChI=1S/C4H7NO/c6-4-1-2-5-3-4/h2-6H,1H2/t4-/m0/s1",51.90167,2.17484,
586,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@@:4]2([H:11])[N:5]([H:12])[C@@:6]12[H:13])[H:7],[O:1](/[C:2](=[C:6](/[C:3](/[C:4](=[N:5]/[H:12])[H:11])([H:9])[H:10])[H:13])[H:8])[H:7],"InChI=1S/C4H7NO/c6-3-1-2-4(3)5-2/h2-6H,1H2/t2-,3+,4-/m1/s1","InChI=1S/C4H7NO/c5-3-1-2-4-6/h2-6H,1H2/b4-2+,5-3+",51.4333,-27.519340000000003,
587,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@@:4]2([H:11])[N:5]([H:12])[C@@:6]12[H:13])[H:7],[O:1]=[C:2]([C:3]([C@@:4]1([H:11])[N:5]([H:12])[C:6]1([H:7])[H:13])([H:9])[H:10])[H:8],"InChI=1S/C4H7NO/c6-3-1-2-4(3)5-2/h2-6H,1H2/t2-,3+,4-/m1/s1","InChI=1S/C4H7NO/c6-2-1-4-3-5-4/h2,4-5H,1,3H2/t4-/m1/s1",66.53101,-12.89668,
588,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@@:4]2([H:11])[N:5]([H:12])[C@@:6]12[H:13])[H:7],[O:1]([C@@:2]1([H:8])[C:3]([H:10])=[C:4]([H:11])[C@:6]1([N:5]([H:9])[H:12])[H:13])[H:7],"InChI=1S/C4H7NO/c6-3-1-2-4(3)5-2/h2-6H,1H2/t2-,3+,4-/m1/s1","InChI=1S/C4H7NO/c5-3-1-2-4(3)6/h1-4,6H,5H2/t3-,4+/m1/s1",63.06794,-11.61484,
589,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@@:4]2([H:11])[N:5]([H:12])[C@@:6]12[H:13])[H:7],[O:1]1[C@@:2]2([H:8])[C:3]([H:9])([H:10])[C@:4]([N:5]([H:7])[H:12])([H:11])[C@@:6]12[H:13],"InChI=1S/C4H7NO/c6-3-1-2-4(3)5-2/h2-6H,1H2/t2-,3+,4-/m1/s1","InChI=1S/C4H7NO/c5-2-1-3-4(2)6-3/h2-4H,1,5H2/t2-,3+,4-/m1/s1",45.10798,2.00656,
590,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@@:4]2([H:11])[N:5]([H:12])[C@@:6]12[H:13])[H:7],[O:1]([C:2][C@@:6]1([H:13])[C@:4]([C:3]([H:8])([H:9])[H:10])([H:11])[N:5]1[H:12])[H:7],"InChI=1S/C4H7NO/c6-3-1-2-4(3)5-2/h2-6H,1H2/t2-,3+,4-/m1/s1","InChI=1S/C4H7NO/c1-3-4(2-6)5-3/h3-6H,1H3/t3-,4+/m1/s1",51.688390000000005,29.6594,
591,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@@:4]2([H:11])[N:5]([H:12])[C@@:6]12[H:13])[H:7],[C@@:2]12([H:8])[C:3]([H:9])([H:10])[C@@:4]3([H:11])[N:5]1[C@@:6]23[H:13].[O:1]([H:7])[H:12],"InChI=1S/C4H7NO/c6-3-1-2-4(3)5-2/h2-6H,1H2/t2-,3+,4-/m1/s1","InChI=1S/C4H5N.H2O/c1-2-4-3(1)5(2)4;/h2-4H,1H2;1H2/t2-,3+,4-,5?;",62.21751,35.195409999999995,
592,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@@:4]2([H:11])[N:5]([H:12])[C@@:6]12[H:13])[H:7],[O:1](/[C:2](=[C:6](/[C@@:4]1([H:11])[C:3]([H:9])([H:10])[N:5]1[H:12])[H:13])[H:8])[H:7],"InChI=1S/C4H7NO/c6-3-1-2-4(3)5-2/h2-6H,1H2/t2-,3+,4-/m1/s1","InChI=1S/C4H7NO/c6-2-1-4-3-5-4/h1-2,4-6H,3H2/b2-1+/t4-/m0/s1",58.675019999999996,-8.30482,
593,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@@:4]2([H:11])[N:5]([H:12])[C@@:6]12[H:13])[H:7],[C:2]1([H:8])=[C:3]([H:10])[C@@:4]2([H:11])[N:5]([H:12])[C@@:6]12[H:13].[O:1]([H:7])[H:9],"InChI=1S/C4H7NO/c6-3-1-2-4(3)5-2/h2-6H,1H2/t2-,3+,4-/m1/s1","InChI=1S/C4H5N.H2O/c1-2-4-3(1)5-4;/h1-5H;1H2/t3-,4+;",72.91454,33.65483,"1,3_Insertion_ROR"
594,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@@:4]2([H:11])[N:5]([H:12])[C@@:6]12[H:13])[H:7],[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4][N:5]([H:12])[C:6]1([H:11])[H:13])[H:7],"InChI=1S/C4H7NO/c6-3-1-2-4(3)5-2/h2-6H,1H2/t2-,3+,4-/m1/s1","InChI=1S/C4H7NO/c6-4-1-2-5-3-4/h4-6H,1,3H2/t4-/m0/s1",54.17921,3.9824699999999997,
595,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@@:4]2([H:11])[N:5]([H:12])[C@@:6]12[H:13])[H:7],[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])=[N:5][C:6]1([H:12])[H:13])[H:7],"InChI=1S/C4H7NO/c6-3-1-2-4(3)5-2/h2-6H,1H2/t2-,3+,4-/m1/s1","InChI=1S/C4H7NO/c6-4-1-2-5-3-4/h2,4,6H,1,3H2/t4-/m0/s1",55.76961,-35.066720000000004,
596,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@@:4]2([H:11])[N:5]([H:12])[C@@:6]12[H:13])[H:7],[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[N:5]=[C:6]1[H:13])[H:7],"InChI=1S/C4H7NO/c6-3-1-2-4(3)5-2/h2-6H,1H2/t2-,3+,4-/m1/s1","InChI=1S/C4H7NO/c6-4-1-2-5-3-4/h3-4,6H,1-2H2/t4-/m0/s1",54.0909,-33.51227,
597,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@@:4]2([H:11])[N:5]([H:12])[C@@:6]12[H:13])[H:7],[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@@:4]1(/[C:6](=[N:5]/[H:12])[H:13])[H:11])[H:7],"InChI=1S/C4H7NO/c6-3-1-2-4(3)5-2/h2-6H,1H2/t2-,3+,4-/m1/s1","InChI=1S/C4H7NO/c5-2-3-1-4(3)6/h2-6H,1H2/b5-2+/t3-,4+/m1/s1",41.48421,-17.47237,
598,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@@:4]2([H:11])[N:5]([H:12])[C@@:6]12[H:13])[H:7],[O:1]([C:2]([C:3](/[C:4](=[N:5]/[H:12])[H:11])([H:9])[H:10])=[C:6]([H:8])[H:13])[H:7],"InChI=1S/C4H7NO/c6-3-1-2-4(3)5-2/h2-6H,1H2/t2-,3+,4-/m1/s1","InChI=1S/C4H7NO/c1-4(6)2-3-5/h3,5-6H,1-2H2/b5-3+",70.49635,-29.79675,
599,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@@:4]2([H:11])[N:5]([H:12])[C@@:6]12[H:13])[H:7],[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:13])[N:5]([H:12])[C:6]1)[H:7],"InChI=1S/C4H7NO/c6-3-1-2-4(3)5-2/h2-6H,1H2/t2-,3+,4-/m1/s1","InChI=1S/C4H7NO/c6-4-1-2-5-3-4/h4-6H,1-2H2/t4-/m0/s1",56.42504,4.02581,
600,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@@:4]2([H:11])[N:5]([H:12])[C@@:6]12[H:13])[H:7],[O:1]([C@@:2]([C:3]([H:9])([H:10])[H:11])([C@@:6]1([H:13])[C:4][N:5]1[H:12])[H:8])[H:7],"InChI=1S/C4H7NO/c6-3-1-2-4(3)5-2/h2-6H,1H2/t2-,3+,4-/m1/s1","InChI=1S/C4H7NO/c1-3(6)4-2-5-4/h3-6H,1H3/t3-,4+/m0/s1",60.215740000000004,34.37101,
601,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@@:4]2([H:11])[N:5]([H:12])[C@@:6]12[H:13])[H:7],[H:11][H:13].[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C-:4][N:5]([H:12])[C+:6]1)[H:7],"InChI=1S/C4H7NO/c6-3-1-2-4(3)5-2/h2-6H,1H2/t2-,3+,4-/m1/s1","InChI=1S/C4H5NO.H2/c6-4-1-2-5-3-4;/h4-6H,1H2;1H/t4-;/m0./s1",91.79271999999999,90.04087,
602,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@@:4]2([H:11])[N:5]([H:12])[C@@:6]12[H:13])[H:7],[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4][C@:6]1([N:5]([H:11])[H:12])[H:13])[H:7],"InChI=1S/C4H7NO/c6-3-1-2-4(3)5-2/h2-6H,1H2/t2-,3+,4-/m1/s1","InChI=1S/C4H7NO/c5-3-1-2-4(3)6/h3-4,6H,2,5H2/t3-,4+/m1/s1",63.34268,60.95671,
603,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@@:4]2([H:11])[N:5]([H:12])[C@@:6]12[H:13])[H:7],[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@:6]1([N:5]([C:4][H:11])[H:12])[H:13])[H:7],"InChI=1S/C4H7NO/c6-3-1-2-4(3)5-2/h2-6H,1H2/t2-,3+,4-/m1/s1","InChI=1S/C4H7NO/c1-5-3-2-4(3)6/h1,3-6H,2H2/t3-,4+/m1/s1",76.95793,26.61944,
604,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@@:4]2([H:11])[N:5]([H:12])[C@@:6]12[H:13])[H:7],[H:12][H:13].[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@:6]12[C:4]([H:11])=[N:5]2)[H:7],"InChI=1S/C4H7NO/c6-3-1-2-4(3)5-2/h2-6H,1H2/t2-,3+,4-/m1/s1","InChI=1S/C4H5NO.H2/c6-3-1-4(3)2-5-4;/h2-3,6H,1H2;1H/t3-,4-;/m0./s1",105.19303000000001,46.13492,
605,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@@:4]2([H:11])[N:5]([H:12])[C@@:6]12[H:13])[H:7],[H:7][H:8].[O:1]=[C:2]1[C:3]([H:9])([H:10])[C@@:4]2([H:11])[N:5]([H:12])[C@@:6]12[H:13],"InChI=1S/C4H7NO/c6-3-1-2-4(3)5-2/h2-6H,1H2/t2-,3+,4-/m1/s1","InChI=1S/C4H5NO.H2/c6-3-1-2-4(3)5-2;/h2,4-5H,1H2;1H/t2-,4-;/m1./s1",82.95604,17.598110000000002,
606,[C:1]([C:2]1=[C:3]([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([C:2]1=[C:3]([H:10])[C:4]([H:11])([H:12])[C@:5]1([C:6]([H:14])([H:15])[H:16])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-6-4-2-3-5-6/h4H,2-3,5H2,1H3","InChI=1S/C6H10/c1-5-3-4-6(5)2/h3,6H,4H2,1-2H3/t6-/m1/s1",128.30151999999998,20.957079999999998,
607,[C:1]([C:2]1=[C:3]([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1](=[C:2]1[C:3]([H:8])([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:7])[H:9],"InChI=1S/C6H10/c1-6-4-2-3-5-6/h4H,2-3,5H2,1H3",InChI=1S/C6H10/c1-6-4-2-3-5-6/h1-5H2,72.91349,3.5320099999999996,
608,[C:1]([C:2]1=[C:3]([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([C:2]1=[C:3]([H:10])[C@:5]([C:4]([H:11])([H:12])[H:14])([H:13])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-6-4-2-3-5-6/h4H,2-3,5H2,1H3","InChI=1S/C6H10/c1-5-3-6(2)4-5/h3,5H,4H2,1-2H3/t5-/m1/s1",129.26944,21.24277,
609,[C:1]([C:2]1=[C:3]([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]1([H:10])[C:4]([H:11])([H:12])[C:5]1([H:13])[H:14])=[C:6]([H:15])[H:16])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-6-4-2-3-5-6/h4H,2-3,5H2,1H3","InChI=1S/C6H10/c1-5(2)6-3-4-6/h6H,1,3-4H2,2H3",71.93869000000001,21.63299,
610,[C:1]([C:2]1=[C:3]([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([C@:2]12[C@:3]([H:10])([C:4]([H:11])([H:12])[C:5]1([H:13])[H:14])[C:6]2([H:15])[H:16])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-6-4-2-3-5-6/h4H,2-3,5H2,1H3","InChI=1S/C6H10/c1-6-3-2-5(6)4-6/h5H,2-4H2,1H3/t5-,6+/m1/s1",99.86775,29.36135,
611,[C:1]([C:2]1=[C:3]([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([C:2]1=[C:6]([H:16])[C:5]([H:13])([H:14])[C:4]([H:11])=[C:3]1[H:10])([H:7])([H:8])[H:9].[H:12][H:15],"InChI=1S/C6H10/c1-6-4-2-3-5-6/h4H,2-3,5H2,1H3","InChI=1S/C6H8.H2/c1-6-4-2-3-5-6;/h2,4-5H,3H2,1H3;1H",51.29502,24.20276,
612,[C:1]([C:2]1=[C:3]([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:11])[C:3]([H:10])=[C:4]([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-6-4-2-3-5-6/h4H,2-3,5H2,1H3","InChI=1S/C6H10/c1-6-4-2-3-5-6/h2,4,6H,3,5H2,1H3/t6-/m0/s1",76.15003,3.18955,
613,[C:1]([C:2]1=[C:3]([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([C+:2]1[C:3]([H:10])([H:13])[C:4]([H:11])([H:12])[C-:5]([H:14])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-6-4-2-3-5-6/h4H,2-3,5H2,1H3","InChI=1S/C6H10/c1-6-4-2-3-5-6/h2H,3-5H2,1H3",82.294,82.77205,
614,[C:1]([C:2]1=[C:3]([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1](=[C:2]=[C:3]([C:4]([C:5]([C:6]([H:8])([H:15])[H:16])([H:13])[H:14])([H:11])[H:12])[H:10])([H:7])[H:9],"InChI=1S/C6H10/c1-6-4-2-3-5-6/h4H,2-3,5H2,1H3","InChI=1S/C6H10/c1-3-5-6-4-2/h5H,1,4,6H2,2H3",102.22024,25.22108,
615,[C:1]([C:2]1=[C:3]([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([C:2]1([C:3](=[C:4]([H:11])[H:12])[H:10])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-6-4-2-3-5-6/h4H,2-3,5H2,1H3","InChI=1S/C6H10/c1-3-6(2)4-5-6/h3H,1,4-5H2,2H3",68.68113000000001,23.226879999999998,
616,[C:1]([C:2]1=[C:3]([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([C:2]/[C:3](=[C:4](\[C:5]([C:6]([H:12])([H:15])[H:16])([H:13])[H:14])[H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-6-4-2-3-5-6/h4H,2-3,5H2,1H3","InChI=1S/C6H10/c1-3-5-6-4-2/h5-6H,3H2,1-2H3/b6-5-",122.59575,83.134,
617,[C:1]([C:2]1=[C:3]([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]=[C:4]([H:11])[H:12])[C:6]([C:5]([H:10])([H:13])[H:14])([H:15])[H:16])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-6-4-2-3-5-6/h4H,2-3,5H2,1H3","InChI=1S/C6H10/c1-4-6(3)5-2/h1,5H2,2-3H3",123.26505,22.132479999999997,
618,[C:1]([C:2]1=[C:3]([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1](=[C:2]1[C:3]([H:10])=[C:4]([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:7])[H:8].[H:9][H:11],"InChI=1S/C6H10/c1-6-4-2-3-5-6/h4H,2-3,5H2,1H3","InChI=1S/C6H8.H2/c1-6-4-2-3-5-6;/h2,4H,1,3,5H2;1H",74.24208,26.2162,
619,[C:1]([C:2]1=[C:3]([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([C:2]1=[C:3]=[C:4]([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9].[H:10][H:11],"InChI=1S/C6H10/c1-6-4-2-3-5-6/h4H,2-3,5H2,1H3","InChI=1S/C6H8.H2/c1-6-4-2-3-5-6;/h2H,3,5H2,1H3;1H",95.11483,86.40252,
620,[C:1]([C:2]1=[C:3]([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([C+:2]1[C:3]([H:10])=[C-:4][C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9].[H:11][H:12],"InChI=1S/C6H10/c1-6-4-2-3-5-6/h4H,2-3,5H2,1H3","InChI=1S/C6H8.H2/c1-6-4-2-3-5-6;/h5H,2,4H2,1H3;1H",82.01979,88.99048,
621,[C:1]([C:2]1=[C:3]([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([C-:2]=[C:3]([C+:4]([H:11])[H:12])[H:10])([H:7])([H:8])[H:9].[C:5](=[C:6]([H:15])[H:16])([H:13])[H:14],"InChI=1S/C6H10/c1-6-4-2-3-5-6/h4H,2-3,5H2,1H3","InChI=1S/C4H6.C2H4/c1-3-4-2;1-2/h3H,1H2,2H3;1-2H2",100.34645,108.65652,
622,[C:1]([C:2]([C:3]#[N:4])([C:5]#[N:6])[H:10])([H:7])([H:8])[H:9],[C+:2]([C:3]#[N:4])=[C:5]=[N-:6].[C:1]([H:7])([H:8])([H:9])[H:10],"InChI=1S/C4H4N2/c1-4(2-5)3-6/h4H,1H3",InChI=1S/C3N2.CH4/c4-2-1-3-5;/h;1H4,71.64952,75.62825,
623,[C:1]([C:2]([C:3]#[N:4])([C:5]#[N:6])[H:10])([H:7])([H:8])[H:9],[C:1]([C@@:2]([C:3]#[N:4])([N+:6]#[C-:5])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H4N2/c1-4(2-5)3-6/h4H,1H3","InChI=1S/C4H4N2/c1-4(3-5)6-2/h4H,1H3/t4-/m0/s1",58.28645,25.64689,
624,[C:1]([C:2]([C:3]#[N:4])([C:5]#[N:6])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]#[N:4])=[C:5]=[N:6][H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H4N2/c1-4(2-5)3-6/h4H,1H3","InChI=1S/C4H4N2/c1-4(2-5)3-6/h5H,1H3",69.01119,9.08964,
625,[C:1]([C:2]([C:3]#[N:4])([C:5]#[N:6])[H:10])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:5]([N+:4]#[C-:3])=[N:6]1)([H:7])([H:8])[H:9],"InChI=1S/C4H4N2/c1-4(2-5)3-6/h4H,1H3","InChI=1S/C4H4N2/c1-3-4(5-2)6-3/h3H,1H3/t3-/m0/s1",97.61631,57.76985,
626,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]([C:5]([H:14])([H:15])[H:16])([H:13])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C@@:2]([C:3]([C:4][H:13])([H:11])[H:12])([O:6][C:5]([H:14])([H:15])[H:16])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-4-3-5(2)6-4/h4-5H,3H2,1-2H3/t4-,5+","InChI=1S/C5H10O/c1-4-5(2)6-3/h1,5H,4H2,2-3H3/t5-/m0/s1",113.79596000000001,90.43323000000001,
627,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]([C:5]([H:14])([H:15])[H:16])([H:13])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C@@:2]([C:3]([C:5]([H:14])([H:15])[H:16])([H:11])[H:12])([O+:6]=[C-:4][H:13])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-4-3-5(2)6-4/h4-5H,3H2,1-2H3/t4-,5+","InChI=1S/C5H10O/c1-4-5(2)6-3/h3,5H,4H2,1-2H3/t5-/m0/s1",116.88455,50.21795,
628,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]([C:5]([H:14])([H:15])[H:16])([H:13])[O:6]1)([H:7])([H:8])[H:9],[C:1](/[C:2](=[C:3](/[C@@:4]([C:5]([H:14])([H:15])[H:16])([O:6][H:12])[H:13])[H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-4-3-5(2)6-4/h4-5H,3H2,1-2H3/t4-,5+","InChI=1S/C5H10O/c1-3-4-5(2)6/h3-6H,1-2H3/b4-3+/t5-/m1/s1",81.15816,-9.00254,
629,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]([C:5]([H:14])([H:15])[H:16])([H:13])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C-:4]=[O+:6]1)([H:7])([H:8])[H:9].[C:5]([H:13])([H:14])([H:15])[H:16],"InChI=1S/C5H10O/c1-4-3-5(2)6-4/h4-5H,3H2,1-2H3/t4-,5+","InChI=1S/C4H6O.CH4/c1-4-2-3-5-4;/h4H,2H2,1H3;1H4/t4-;/m0./s1",73.4173,60.072219999999994,
630,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]([C:5]([H:14])([H:15])[H:16])([H:13])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:11])=[C:4]([H:13])[O:6]1)([H:7])([H:8])[H:9].[C:5]([H:12])([H:14])([H:15])[H:16],"InChI=1S/C5H10O/c1-4-3-5(2)6-4/h4-5H,3H2,1-2H3/t4-,5+","InChI=1S/C4H6O.CH4/c1-4-2-3-5-4;/h2-4H,1H3;1H4/t4-;/m0./s1",104.64305999999999,23.29861,
631,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]([C:5]([H:14])([H:15])[H:16])([H:13])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]1=[C:3]([H:12])[C@:4]([C:5]([H:14])([H:15])[H:16])([H:13])[O:6]1)([H:7])([H:8])[H:9].[H:10][H:11],"InChI=1S/C5H10O/c1-4-3-5(2)6-4/h4-5H,3H2,1-2H3/t4-,5+","InChI=1S/C5H8O.H2/c1-4-3-5(2)6-4;/h3-4H,1-2H3;1H/t4-;/m1./s1",99.68574,29.236690000000003,
632,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]([C:5]([H:14])([H:15])[H:16])([H:13])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]([H:11])[H:12])[H:10])([H:7])([H:8])[H:9].[C:4]([C:5]([H:14])([H:15])[H:16])(=[O:6])[H:13],"InChI=1S/C5H10O/c1-4-3-5(2)6-4/h4-5H,3H2,1-2H3/t4-,5+","InChI=1S/C3H6.C2H4O/c1-3-2;1-2-3/h3H,1H2,2H3;2H,1H3",49.48279,3.6210699999999996,2+2_cycloaddition
633,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]([C:5]([H:14])([H:15])[H:16])([H:13])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C@@:2]([C:3]([C:4][C:5]([H:14])([H:15])[H:16])([H:11])[H:12])([O:6][H:13])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-4-3-5(2)6-4/h4-5H,3H2,1-2H3/t4-,5+","InChI=1S/C5H10O/c1-3-4-5(2)6/h5-6H,4H2,1-2H3/t5-/m0/s1",66.99074,60.99889,
634,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]([C:5]([H:14])([H:15])[H:16])([H:13])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C@@:2]([C:3][H:11])([O:6][C:4]([C:5]([H:14])([H:15])[H:16])([H:12])[H:13])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-4-3-5(2)6-4/h4-5H,3H2,1-2H3/t4-,5+","InChI=1S/C5H10O/c1-4-6-5(2)3/h2,5H,4H2,1,3H3/t5-/m1/s1",84.25235,83.95149,
635,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]([C:5]([H:14])([H:15])[H:16])([H:13])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[O:6]1)([H:7])([H:8])[H:9].[C:4]([C:5]([H:14])([H:15])[H:16])[H:13],"InChI=1S/C5H10O/c1-4-3-5(2)6-4/h4-5H,3H2,1-2H3/t4-,5+","InChI=1S/C3H6O.C2H4/c1-3-2-4-3;1-2/h3H,2H2,1H3;1H,2H3/t3-;/m0./s1",110.15993,110.48773999999999,
636,[O:1]=[C:2]1[C:3]([H:6])([H:7])[C:4]([H:8])([H:9])[C:5]1([H:10])[H:11],[O:1]=[C:2]=[C:5]([C:4]([C:3]([H:6])([H:7])[H:11])([H:8])[H:9])[H:10],InChI=1S/C4H6O/c5-4-2-1-3-4/h1-3H2,"InChI=1S/C4H6O/c1-2-3-4-5/h3H,2H2,1H3",71.62406999999999,-1.50417,
637,[O:1]=[C:2]1[C:3]([H:6])([H:7])[C:4]([H:8])([H:9])[C:5]1([H:10])[H:11],[O:1]=[C:2]([C:3]([C:4][H:8])([H:6])[H:7])[C:5]([H:9])([H:10])[H:11],InChI=1S/C4H6O/c5-4-2-1-3-4/h1-3H2,"InChI=1S/C4H6O/c1-3-4(2)5/h1H,3H2,2H3",75.71636,78.69903000000001,
638,[O:1]=[C:2]1[C:3]([H:6])([H:7])[C:4]([H:8])([H:9])[C:5]1([H:10])[H:11],[O:1]([C:2]1=[C:5]([H:10])[C:4]([H:8])([H:9])[C:3]1([H:6])[H:7])[H:11],InChI=1S/C4H6O/c5-4-2-1-3-4/h1-3H2,"InChI=1S/C4H6O/c5-4-2-1-3-4/h2,5H,1,3H2",76.4576,13.158479999999999,ketoenol
639,[O:1]=[C:2]1[C:3]([H:6])([H:7])[C:4]([H:8])([H:9])[C:5]1([H:10])[H:11],[C:4](=[C:5]([H:10])[H:11])([H:8])[H:9].[O:1]=[C:2]=[C:3]([H:6])[H:7],InChI=1S/C4H6O/c5-4-2-1-3-4/h1-3H2,InChI=1S/C2H2O.C2H4/c1-2-3;1-2/h1H2;1-2H2,42.373490000000004,20.49849,
640,[O:1]=[C:2]1[C:3]([H:6])([H:7])[C:4]([H:8])([H:9])[C:5]1([H:10])[H:11],[O:1]1[C@@:2]([C:5](=[C:4]([H:8])[H:9])[H:10])([H:11])[C:3]1([H:6])[H:7],InChI=1S/C4H6O/c5-4-2-1-3-4/h1-3H2,"InChI=1S/C4H6O/c1-2-4-3-5-4/h2,4H,1,3H2/t4-/m1/s1",97.08461,27.77845,
641,[O:1]=[C:2]1[C:3]([H:6])([H:7])[C:4]([H:8])([H:9])[C:5]1([H:10])[H:11],[O-:1][C:2]([C:3]([C:4]([H:8])([H:9])[H:11])([H:6])[H:7])=[C+:5][H:10],InChI=1S/C4H6O/c5-4-2-1-3-4/h1-3H2,"InChI=1S/C4H6O/c1-3-4(2)5/h2H,3H2,1H3",66.84187,64.61022,
642,[O:1]=[C:2]1[C:3]([H:6])([H:7])[C:4]([H:8])([H:9])[C:5]1([H:10])[H:11],[H:9][H:11].[O:1]=[C:2]1[C:3]([H:6])([H:7])[C:4]([H:8])=[C:5]1[H:10],InChI=1S/C4H6O/c5-4-2-1-3-4/h1-3H2,"InChI=1S/C4H4O.H2/c5-4-2-1-3-4;/h1-2H,3H2;1H",94.27695,32.16337,
643,[O:1]=[C:2]1[C:3]([H:6])([H:7])[C:4]([H:8])([H:9])[C:5]1([H:10])[H:11],[O:1]([C+:2]1[C:3]([H:6])([H:7])[C-:4]([H:9])[C:5]1([H:10])[H:11])[H:8],InChI=1S/C4H6O/c5-4-2-1-3-4/h1-3H2,"InChI=1S/C4H6O/c5-4-2-1-3-4/h1,5H,2-3H2",94.27317,83.92305999999999,
644,[C:1]([n:2]1[c:3]([H:10])[c:4]([H:11])[c:5]([H:12])[c:6]1[H:13])([H:7])([H:8])[H:9],[C:1]([C@:6]1([H:13])[N:2]=[C:3]([H:10])[C:4]([H:11])=[C:5]1[H:12])([H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-6-4-2-3-5-6/h2-5H,1H3","InChI=1S/C5H7N/c1-5-3-2-4-6-5/h2-5H,1H3/t5-/m0/s1",56.17105,8.043460000000001,
645,[C:1]([n:2]1[c:3]([H:10])[c:4]([H:11])[c:5]([H:12])[c:6]1[H:13])([H:7])([H:8])[H:9],[C:1]([N:2]1[C:3]([H:10])=[C-:4][C:5]([H:11])([H:12])[C+:6]1[H:13])([H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-6-4-2-3-5-6/h2-5H,1H3","InChI=1S/C5H7N/c1-6-4-2-3-5-6/h4-5H,2H2,1H3",78.47951,77.52493,
646,[C:1]([n:2]1[c:3]([H:10])[c:4]([H:11])[c:5]([H:12])[c:6]1[H:13])([H:7])([H:8])[H:9],[C:1]([C@@:4]1([H:11])[C:3]([H:10])=[N:2][C:6]([H:13])=[C:5]1[H:12])([H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-6-4-2-3-5-6/h2-5H,1H3","InChI=1S/C5H7N/c1-5-2-3-6-4-5/h2-5H,1H3/t5-/m1/s1",47.63146,11.92207,
647,[C:1]([n:2]1[c:3]([H:10])[c:4]([H:11])[c:5]([H:12])[c:6]1[H:13])([H:7])([H:8])[H:9],[C-:1]([N+:2]1=[C:6]([H:13])[C:5]([H:12])=[C:4]([H:11])[C:3]1([H:8])[H:10])([H:7])[H:9],"InChI=1S/C5H7N/c1-6-4-2-3-5-6/h2-5H,1H3","InChI=1S/C5H7N/c1-6-4-2-3-5-6/h2-4H,1,5H2",84.42347,44.185559999999995,
648,[C:1]([n:2]1[c:3]([H:10])[c:4]([H:11])[c:5]([H:12])[c:6]1[H:13])([H:7])([H:8])[H:9],[C-:1]([N+:2]1=[C:6]([H:13])[C:5]([H:8])([H:12])[C:4]([H:11])=[C:3]1[H:10])([H:7])[H:9],"InChI=1S/C5H7N/c1-6-4-2-3-5-6/h2-5H,1H3","InChI=1S/C5H7N/c1-6-4-2-3-5-6/h2,4-5H,1,3H2",98.8833,50.36622,
649,[C:1]([n:2]1[c:3]([H:10])[c:4]([H:11])[c:5]([H:12])[c:6]1[H:13])([H:7])([H:8])[H:9],[C-:1]([N+:2]1=[C:3]([H:10])[C:4]([H:11])=[C:5]=[C:6]1[H:13])([H:7])[H:9].[H:8][H:12],"InChI=1S/C5H7N/c1-6-4-2-3-5-6/h2-5H,1H3","InChI=1S/C5H5N.H2/c1-6-4-2-3-5-6;/h2,4-5H,1H2;1H",128.95911,106.75781,
650,[C:1]([n:2]1[c:3]([H:10])[c:4]([H:11])[c:5]([H:12])[c:6]1[H:13])([H:7])([H:8])[H:9],[C:1]([N:2]=[C:6]=[C:5]([H:12])[H:13])([H:7])([H:8])[H:9].[C:3](#[C:4][H:11])[H:10],"InChI=1S/C5H7N/c1-6-4-2-3-5-6/h2-5H,1H3","InChI=1S/C3H5N.C2H2/c1-3-4-2;1-2/h1H2,2H3;1-2H",132.36865,73.12217,
651,[C:1]([n:2]1[c:3]([H:10])[c:4]([H:11])[c:5]([H:12])[c:6]1[H:13])([H:7])([H:8])[H:9],[C:1](/[N:2]=[C:6](/[C:5](=[C:4]=[C:3]([H:10])[H:11])[H:12])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-6-4-2-3-5-6/h2-5H,1H3","InChI=1S/C5H7N/c1-3-4-5-6-2/h4-5H,1H2,2H3/b6-5+",71.96556,37.909209999999995,
652,[C:1]([n:2]1[c:3]([H:10])[c:4]([H:11])[c:5]([H:12])[c:6]1[H:13])([H:7])([H:8])[H:9],[C:1]([N+:2]1([H:13])[C:3]([H:10])=[C:4]([H:11])[C:5]([H:12])=[C-:6]1)([H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-6-4-2-3-5-6/h2-5H,1H3","InChI=1S/C5H7N/c1-6-4-2-3-5-6/h2-4,6H,1H3",84.16776,77.24981,
653,[C:1]([n:2]1[c:3]([H:10])[c:4]([H:11])[c:5]([H:12])[c:6]1[H:13])([H:7])([H:8])[H:9],[C:1]([N:2]1[C:3]([H:10])([H:11])[C-:4]=[C:5]([H:12])[C+:6]1[H:13])([H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-6-4-2-3-5-6/h2-5H,1H3","InChI=1S/C5H7N/c1-6-4-2-3-5-6/h2,4H,5H2,1H3",71.99025999999999,67.7184,Singlet_Carbene_Intra_Disproportionation
654,[C:1]([n:2]1[c:3]([H:10])[c:4]([H:11])[c:5]([H:12])[c:6]1[H:13])([H:7])([H:8])[H:9],[C-:1]([N+:2]1=[C:3]=[C:4]([H:11])[C:5]([H:12])=[C:6]1[H:13])([H:7])[H:9].[H:8][H:10],"InChI=1S/C5H7N/c1-6-4-2-3-5-6/h2-5H,1H3","InChI=1S/C5H5N.H2/c1-6-4-2-3-5-6;/h2-4H,1H2;1H",105.83568000000001,100.43603,
655,[C:1]([n:2]1[c:3]([H:10])[c:4]([H:11])[c:5]([H:12])[c:6]1[H:13])([H:7])([H:8])[H:9],[C-:1]([N+:2]1([H:8])[C:3]([H:10])=[C:4]([H:11])[C:5]([H:12])=[C:6]1[H:13])([H:7])[H:9],"InChI=1S/C5H7N/c1-6-4-2-3-5-6/h2-5H,1H3","InChI=1S/C5H7N/c1-6-4-2-3-5-6/h2-6H,1H2",93.36894000000001,90.41048,
656,[C:1]([n:2]1[c:3]([H:10])[c:4]([H:11])[c:5]([H:12])[c:6]1[H:13])([H:7])([H:8])[H:9],[C:1](/[N:2]=[C:6](/[C:5]1([H:12])[C:3]([H:10])=[C:4]1[H:11])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-6-4-2-3-5-6/h2-5H,1H3","InChI=1S/C5H7N/c1-6-4-5-2-3-5/h2-5H,1H3/b6-4+",99.16549,61.351769999999995,
657,[C:1]([n:2]1[c:3]([H:10])[c:4]([H:11])[c:5]([H:12])[c:6]1[H:13])([H:7])([H:8])[H:9],[C:1]1([H:7])([H:9])[N:2]2[C@:3]1([H:10])[C:4]([H:11])=[C:5]([H:12])[C:6]2([H:8])[H:13],"InChI=1S/C5H7N/c1-6-4-2-3-5-6/h2-5H,1H3","InChI=1S/C5H7N/c1-2-5-4-6(5)3-1/h1-2,5H,3-4H2/t5-,6?/m1/s1",100.18666999999999,35.37924,
658,[C:1]1([H:6])([H:7])[C:2]([H:8])([H:9])[C:3]([H:10])([H:11])[O:4][C:5]1([H:12])[H:13],[C:1]([C:2]([H:8])([H:9])[H:11])([C:5]([O+:4]=[C-:3][H:10])([H:12])[H:13])([H:6])[H:7],InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2,"InChI=1S/C4H8O/c1-3-4-5-2/h2H,3-4H2,1H3",71.1476,61.36428000000001,
659,[C:1]1([H:6])([H:7])[C:2]([H:8])([H:9])[C:3]([H:10])([H:11])[O:4][C:5]1([H:12])[H:13],[C:1](=[C:5]([H:12])[H:13])([H:6])[H:7].[C:2]1([H:8])([H:9])[C:3]([H:10])([H:11])[O:4]1,InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2,InChI=1S/C2H4O.C2H4/c1-2-3-1;1-2/h1-2H2;1-2H2,94.46795,42.663270000000004,
660,[C:1]1([H:6])([H:7])[C:2]([H:8])([H:9])[C:3]([H:10])([H:11])[O:4][C:5]1([H:12])[H:13],[C:1]1([H:6])([H:7])[C:2]([H:8])([H:9])[C:3]([H:10])=[O+:4][C-:5]1[H:12].[H:11][H:13],InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2,"InChI=1S/C4H6O.H2/c1-2-4-5-3-1;/h3-4H,1-2H2;1H",69.76297,70.87259,
661,[C:1]1([H:6])([H:7])[C:2]([H:8])([H:9])[C:3]([H:10])([H:11])[O:4][C:5]1([H:12])[H:13],[C:1]1([H:6])=[C:5]([H:12])[O:4][C:3]([H:10])([H:11])[C:2]1([H:8])[H:9].[H:7][H:13],InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2,"InChI=1S/C4H6O.H2/c1-2-4-5-3-1;/h1,3H,2,4H2;1H",99.70503000000001,24.71546,
662,[C:1]1([H:6])([H:7])[C:2]([H:8])([H:9])[C:3]([H:10])([H:11])[O:4][C:5]1([H:12])[H:13],[C:1](=[C:2]([H:8])[H:9])([C:5]([H:7])([H:12])[H:13])[H:6].[C:3](=[O:4])([H:10])[H:11],InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2,"InChI=1S/C3H6.CH2O/c1-3-2;1-2/h3H,1H2,2H3;1H2",76.86413,20.68169,
663,[O:1]=[C:2]1[C:3]([H:7])([H:8])[N:4]2[C:5]([H:9])([H:10])[C@@:6]12[H:11],[O-:1][C:6](=[C+:2][C:3]([N:4]=[C:5]([H:9])[H:10])([H:7])[H:8])[H:11],"InChI=1S/C4H5NO/c6-4-2-5-1-3(4)5/h3H,1-2H2/t3-,5?/m0/s1","InChI=1S/C4H5NO/c1-5-3-2-4-6/h4H,1,3H2",60.09455,52.01577,
664,[O:1]=[C:2]1[C:3]([H:7])([H:8])[N:4]2[C:5]([H:9])([H:10])[C@@:6]12[H:11],[O:1]=[C:2]=[C:6]([C:5]([N:4]=[C:3]([H:7])[H:8])([H:9])[H:10])[H:11],"InChI=1S/C4H5NO/c6-4-2-5-1-3(4)5/h3H,1-2H2/t3-,5?/m0/s1","InChI=1S/C4H5NO/c1-5-3-2-4-6/h2H,1,3H2",18.49544,-15.518720000000002,
665,[O:1]=[C:2]1[C:3]([H:7])([H:8])[N:4]2[C:5]([H:9])([H:10])[C@@:6]12[H:11],[C-:3]([N+:4]1=[C:6]([H:11])[C:5]1([H:9])[H:10])([H:7])[H:8].[O+:1]#[C-:2],"InChI=1S/C4H5NO/c6-4-2-5-1-3(4)5/h3H,1-2H2/t3-,5?/m0/s1","InChI=1S/C3H5N.CO/c1-4-2-3-4;1-2/h2H,1,3H2;",42.30603,37.69665,
666,[O:1]=[C:2]1[C:3]([H:7])([H:8])[N:4]2[C:5]([H:9])([H:10])[C@@:6]12[H:11],[N:4]1=[C:6]([H:11])[C:5]1([H:9])[H:10].[O:1]=[C:2]=[C:3]([H:7])[H:8],"InChI=1S/C4H5NO/c6-4-2-5-1-3(4)5/h3H,1-2H2/t3-,5?/m0/s1","InChI=1S/C2H3N.C2H2O/c1-2-3-1;1-2-3/h1H,2H2;1H2",46.34811,20.32156,
667,[O:1]=[C:2]1[C:3]([H:7])([H:8])[N:4]2[C:5]([H:9])([H:10])[C@@:6]12[H:11],[O-:1][C:2]1=[C:6]([H:11])[N+:4](=[C:5]([H:9])[H:10])[C:3]1([H:7])[H:8],"InChI=1S/C4H5NO/c6-4-2-5-1-3(4)5/h3H,1-2H2/t3-,5?/m0/s1","InChI=1S/C4H5NO/c1-5-2-4(6)3-5/h2H,1,3H2",41.0614,-5.95908,
668,[O:1]=[C:2]1[C:3]([H:7])([H:8])[N:4]2[C:5]([H:9])([H:10])[C@@:6]12[H:11],[O:1]([C:2]1=[C:3]([H:8])[N:4]2[C:5]([H:9])([H:10])[C@@:6]12[H:11])[H:7],"InChI=1S/C4H5NO/c6-4-2-5-1-3(4)5/h3H,1-2H2/t3-,5?/m0/s1","InChI=1S/C4H5NO/c6-4-2-5-1-3(4)5/h2-3,6H,1H2/t3-,5?/m0/s1",77.65386,23.153029999999998,ketoenol
669,[O:1]=[C:2]1[C:3]([H:7])([H:8])[N:4]2[C:5]([H:9])([H:10])[C@@:6]12[H:11],[O-:1][C:2]([C:3]([N:4]=[C:5]([H:9])[H:10])([H:7])[H:8])=[C+:6][H:11],"InChI=1S/C4H5NO/c6-4-2-5-1-3(4)5/h3H,1-2H2/t3-,5?/m0/s1","InChI=1S/C4H5NO/c1-4(6)3-5-2/h1H,2-3H2",50.2642,52.14475,
670,[O:1]=[C:2]1[C:3]([H:7])([H:8])[N:4]2[C:5]([H:9])([H:10])[C@@:6]12[H:11],[O:1]([C:2]1=[C:6]2[N:4]([C:3]1([H:7])[H:8])[C:5]2([H:9])[H:10])[H:11],"InChI=1S/C4H5NO/c6-4-2-5-1-3(4)5/h3H,1-2H2/t3-,5?/m0/s1","InChI=1S/C4H5NO/c6-4-2-5-1-3(4)5/h6H,1-2H2",75.61712,47.91953,ketoenol
671,[O:1]=[C:2]1[C:3]([H:7])([H:8])[N:4]2[C:5]([H:9])([H:10])[C@@:6]12[H:11],[O:1]=[C:2]=[C:3]([N:4]1[C:5]([H:9])([H:10])[C:6]1([H:8])[H:11])[H:7],"InChI=1S/C4H5NO/c6-4-2-5-1-3(4)5/h3H,1-2H2/t3-,5?/m0/s1","InChI=1S/C4H5NO/c6-4-3-5-1-2-5/h3H,1-2H2",70.52266,5.515569999999999,
672,[O:1]=[C:2]1[C:3]([H:7])([H:8])[N:4]2[C:5]([H:9])([H:10])[C@@:6]12[H:11],[O-:1][C:2]1=[C:6]2[N+:4]([H:11])([C:3]1([H:7])[H:8])[C:5]2([H:9])[H:10],"InChI=1S/C4H5NO/c6-4-2-5-1-3(4)5/h3H,1-2H2/t3-,5?/m0/s1","InChI=1S/C4H5NO/c6-4-2-5-1-3(4)5/h6H,1-2H2",54.952059999999996,39.02185,
673,[O:1]=[C:2]1[C:3]([H:7])([H:8])[N:4]2[C:5]([H:9])([H:10])[C@@:6]12[H:11],[O-:1][C:2](=[C+:3][H:7])[C@@:6]1([H:11])[N:4]([H:8])[C:5]1([H:9])[H:10],"InChI=1S/C4H5NO/c6-4-2-5-1-3(4)5/h3H,1-2H2/t3-,5?/m0/s1","InChI=1S/C4H5NO/c1-3(6)4-2-5-4/h1,4-5H,2H2/t4-/m0/s1",64.59026999999999,59.665859999999995,
674,[O:1]=[C:2]1[C:3]([H:7])([H:8])[N:4]2[C:5]([H:9])([H:10])[C@@:6]12[H:11],[O:1]=[C:2]1[C:3]([H:7])([H:8])[N+:4]2([H:10])[C-:5]([H:9])[C@@:6]12[H:11],"InChI=1S/C4H5NO/c6-4-2-5-1-3(4)5/h3H,1-2H2/t3-,5?/m0/s1","InChI=1S/C4H5NO/c6-4-2-5-1-3(4)5/h1,3,5H,2H2/t3-/m0/s1",61.46403000000001,47.00589,
675,[O:1]=[C:2]1[C:3]([H:7])([H:8])[N:4]2[C:5]([H:9])([H:10])[C@@:6]12[H:11],[O-:1][C:2]1=[C:3]([H:8])[N+:4]2([H:7])[C:5]([H:9])([H:10])[C@@:6]12[H:11],"InChI=1S/C4H5NO/c6-4-2-5-1-3(4)5/h3H,1-2H2/t3-,5?/m0/s1","InChI=1S/C4H5NO/c6-4-2-5-1-3(4)5/h2-3,6H,1H2/t3-,5?/m0/s1",68.55494,33.54102,
676,[O:1]=[C:2]1[C:3]([H:7])([H:8])[N:4]2[C:5]([H:9])([H:10])[C@@:6]12[H:11],[O:1]=[C:6]([C:2]12[C:3]([H:7])([H:8])[N:4]1[C:5]2([H:9])[H:10])[H:11],"InChI=1S/C4H5NO/c6-4-2-5-1-3(4)5/h3H,1-2H2/t3-,5?/m0/s1","InChI=1S/C4H5NO/c6-3-4-1-5(4)2-4/h3H,1-2H2",60.095,9.80008,
677,[O:1]=[C:2]1[C:3]([H:7])([H:8])[N:4]2[C:5]([H:9])([H:10])[C@@:6]12[H:11],[O:1]1[C@@:2]2([H:7])[C@:3]1([H:8])[N:4]1[C:5]([H:9])([H:10])[C@@:6]21[H:11],"InChI=1S/C4H5NO/c6-4-2-5-1-3(4)5/h3H,1-2H2/t3-,5?/m0/s1","InChI=1S/C4H5NO/c1-2-3-4(6-3)5(1)2/h2-4H,1H2/t2-,3+,4+,5?/m0/s1",75.62549,42.004709999999996,
678,[O:1]=[C:2]1[C:3]([H:7])([H:8])[N:4]2[C:5]([H:9])([H:10])[C@@:6]12[H:11],[C:3](=[N:4][C:6](=[C:5]([H:9])[H:10])[H:11])([H:7])[H:8].[O+:1]#[C-:2],"InChI=1S/C4H5NO/c6-4-2-5-1-3(4)5/h3H,1-2H2/t3-,5?/m0/s1","InChI=1S/C3H5N.CO/c1-3-4-2;1-2/h3H,1-2H2;",49.06842,-17.14405,
679,[O:1]=[C:2]1[C:3]([H:7])([H:8])[N:4]2[C:5]([H:9])([H:10])[C@@:6]12[H:11],[O:1]=[C:2]([C@@:6]1([H:11])[N+:4]([C-:3]([H:7])[H:8])=[C:5]1[H:10])[H:9],"InChI=1S/C4H5NO/c6-4-2-5-1-3(4)5/h3H,1-2H2/t3-,5?/m0/s1","InChI=1S/C4H5NO/c1-5-2-4(5)3-6/h2-4H,1H2/t4-/m0/s1",70.87491,34.962709999999994,
680,[O:1]=[C:2]1[C:3]([H:7])([H:8])[N:4]2[C:5]([H:9])([H:10])[C@@:6]12[H:11],[O:1]([C@:2]12[C:3]([H:7])([H:8])[N:4]3[C@@:5]1([H:10])[C@:6]23[H:11])[H:9],"InChI=1S/C4H5NO/c6-4-2-5-1-3(4)5/h3H,1-2H2/t3-,5?/m0/s1","InChI=1S/C4H5NO/c6-4-1-5-2(4)3(4)5/h2-3,6H,1H2/t2-,3+,4+,5?",102.95562,45.39747,
681,[C:1]1([H:7])([H:8])[C@:2]2([H:9])[O:3][C:4]([H:10])([H:11])[O:5][C@:6]12[H:12],[C:1]([C@@:2]1([H:9])[O:3][C:4]([H:10])([H:11])[O:5][C:6]1([H:8])[H:12])[H:7],"InChI=1S/C4H6O2/c1-3-4(1)6-2-5-3/h3-4H,1-2H2/t3-,4+","InChI=1S/C4H6O2/c1-4-2-5-3-6-4/h1,4H,2-3H2/t4-/m1/s1",64.22514,69.47675,
682,[C:1]1([H:7])([H:8])[C@:2]2([H:9])[O:3][C:4]([H:10])([H:11])[O:5][C@:6]12[H:12],[C:1]1([H:7])=[C:6]([H:12])[C:2]1([O:3][C:4]([O:5][H:8])([H:10])[H:11])[H:9],"InChI=1S/C4H6O2/c1-3-4(1)6-2-5-3/h3-4H,1-2H2/t3-,4+","InChI=1S/C4H6O2/c5-3-6-4-1-2-4/h1-2,4-5H,3H2",68.20619,20.98784,
683,[C:1]1([H:7])([H:8])[C@:2]2([H:9])[O:3][C:4]([H:10])([H:11])[O:5][C@:6]12[H:12],[C:1]1([H:7])([H:8])[C@:2]2([H:9])[O:3][C@:6]12[H:12].[C:4](=[O:5])([H:10])[H:11],"InChI=1S/C4H6O2/c1-3-4(1)6-2-5-3/h3-4H,1-2H2/t3-,4+","InChI=1S/C3H4O.CH2O/c1-2-3(1)4-2;1-2/h2-3H,1H2;1H2/t2-,3+;",78.98665,50.511179999999996,
684,[C:1]1([H:7])([H:8])[C@:2]2([H:9])[O:3][C:4]([H:10])([H:11])[O:5][C@:6]12[H:12],[C:1]1([H:7])([H:8])[C:2]([H:9])([H:12])[O:3][C:4]([H:10])([H:11])[O+:5]=[C-:6]1,"InChI=1S/C4H6O2/c1-3-4(1)6-2-5-3/h3-4H,1-2H2/t3-,4+","InChI=1S/C4H6O2/c1-2-5-4-6-3-1/h1-2,4H2",51.95935,30.34631,
685,[C:1]1([H:7])([H:8])[C@:2]2([H:9])[O:3][C:4]([H:10])([H:11])[O:5][C@:6]12[H:12],[C:1]1([H:7])([H:8])[C@:2]([O:3][H:10])([H:9])[C@:6]1([O+:5]=[C-:4][H:11])[H:12],"InChI=1S/C4H6O2/c1-3-4(1)6-2-5-3/h3-4H,1-2H2/t3-,4+","InChI=1S/C4H6O2/c1-6-4-2-3(4)5/h1,3-5H,2H2/t3-,4+/m1/s1",69.43172,56.6197,
686,[C:1]1([H:7])([H:8])[C@:2]2([H:9])[O:3][C:4]([H:10])([H:11])[O:5][C@:6]12[H:12],[C:1]([C@@:2]1([H:9])[O:3][C:4]([H:10])([H:11])[O+:5]=[C-:6]1)([H:7])([H:8])[H:12],"InChI=1S/C4H6O2/c1-3-4(1)6-2-5-3/h3-4H,1-2H2/t3-,4+","InChI=1S/C4H6O2/c1-4-2-5-3-6-4/h4H,3H2,1H3/t4-/m1/s1",46.17244,20.47459,
687,[C:1]1([H:7])([H:8])[C@:2]2([H:9])[O:3][C:4]([H:10])([H:11])[O:5][C@:6]12[H:12],[C:1]([C:2](=[O:3])[H:9])([C:6](=[O+:5][C-:4]([H:10])[H:11])[H:12])([H:7])[H:8],"InChI=1S/C4H6O2/c1-3-4(1)6-2-5-3/h3-4H,1-2H2/t3-,4+","InChI=1S/C4H6O2/c1-6-4-2-3-5/h3-4H,1-2H2",39.49903,32.15232,
688,[C:1]1([H:7])([H:8])[C@:2]2([H:9])[O:3][C:4]([H:10])([H:11])[O:5][C@:6]12[H:12],[C:1]([C@@:2]1([H:9])[O:3][C:4]([H:10])=[O+:5][C-:6]1[H:12])([H:7])([H:8])[H:11],"InChI=1S/C4H6O2/c1-3-4(1)6-2-5-3/h3-4H,1-2H2/t3-,4+","InChI=1S/C4H6O2/c1-4-2-5-3-6-4/h2-4H,1H3/t4-/m1/s1",57.10742,26.94537,
689,[C:1]1([H:7])([H:8])[C@:2]2([H:9])[O:3][C:4]([H:10])([H:11])[O:5][C@:6]12[H:12],[C:1](=[C:6]([O:5][C:4]([O+:3]=[C-:2][H:9])([H:10])[H:11])[H:12])([H:7])[H:8],"InChI=1S/C4H6O2/c1-3-4(1)6-2-5-3/h3-4H,1-2H2/t3-,4+","InChI=1S/C4H6O2/c1-3-6-4-5-2/h2-3H,1,4H2",49.026740000000004,50.29507,
690,[C:1]1([H:7])([H:8])[C@:2]2([H:9])[O:3][C:4]([H:10])([H:11])[O:5][C@:6]12[H:12],[C:1](=[C:2]([C:6](=[O:5])[H:12])[H:9])([H:7])[H:8].[O:3]=[C:4]([H:10])[H:11],"InChI=1S/C4H6O2/c1-3-4(1)6-2-5-3/h3-4H,1-2H2/t3-,4+","InChI=1S/C3H4O.CH2O/c1-2-3-4;1-2/h2-3H,1H2;1H2",30.05157,-5.09445,
691,[C:1]1([H:7])([H:8])[C@:2]2([H:9])[O:3][C:4]([H:10])([H:11])[O:5][C@:6]12[H:12],[C:1]1([H:7])([H:8])[C-:2]2[O:3][C:4]([H:11])=[O+:5][C@@:6]12[H:12].[H:9][H:10],"InChI=1S/C4H6O2/c1-3-4(1)6-2-5-3/h3-4H,1-2H2/t3-,4+","InChI=1S/C4H4O2.H2/c1-3-4(1)6-2-5-3;/h2-3H,1H2;1H/t3-;/m0./s1",87.61634000000001,72.32311999999999,
692,[C:1]1([H:7])([H:8])[C@:2]2([H:9])[O:3][C:4]([H:10])([H:11])[O:5][C@:6]12[H:12],[C:1]1([H:7])([H:8])[C@:2]2([H:9])[O+:3]=[C-:4][O:5][C@:6]12[H:12].[H:10][H:11],"InChI=1S/C4H6O2/c1-3-4(1)6-2-5-3/h3-4H,1-2H2/t3-,4+","InChI=1S/C4H4O2.H2/c1-3-4(1)6-2-5-3;/h3-4H,1H2;1H/t3-,4+;",70.52886,40.55405,
693,[C:1]1([H:7])([H:8])[C@:2]2([H:9])[O:3][C:4]([H:10])([H:11])[O:5][C@:6]12[H:12],[C:1]1([H:7])([H:8])[C-:2]=[O+:3][C:4]([H:10])([H:11])[O+:5]=[C-:6]1.[H:9][H:12],"InChI=1S/C4H6O2/c1-3-4(1)6-2-5-3/h3-4H,1-2H2/t3-,4+","InChI=1S/C4H4O2.H2/c1-2-5-4-6-3-1;/h1,4H2;1H",88.13563,98.34427,
694,[C:1]([C:2]([C:3]#[C:4][C:5]([O:6][H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3](=[C:4])[C:5]([O:6][H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-2-3-4-5-6/h6H,2,5H2,1H3","InChI=1S/C5H8O/c1-3-5(2)4-6/h6H,3-4H2,1H3",50.1299,51.262609999999995,
695,[C:1]([C:2]([C:3]#[C:4][C:5]([O:6][H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](/[C:2](=[C:3](\[C:4][C:5]([O:6][H:14])([H:12])[H:13])[H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-2-3-4-5-6/h6H,2,5H2,1H3","InChI=1S/C5H8O/c1-2-3-4-5-6/h2-3,6H,5H2,1H3/b3-2-",63.07965,48.93905,
696,[C:1]([C:2]([C:3]#[C:4][C:5]([O:6][H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]1=[C:4]([O:6][H:14])[C:5]1([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-2-3-4-5-6/h6H,2,5H2,1H3","InChI=1S/C5H8O/c1-2-4-3-5(4)6/h6H,2-3H2,1H3",72.67629000000001,10.14863,
697,[C:1]([C:2]([C:3]#[C:4][C:5]([O:6][H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3](=[C:4]=[C:5]([H:12])[H:13])[O:6][H:14])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-2-3-4-5-6/h6H,2,5H2,1H3","InChI=1S/C5H8O/c1-3-5(6)4-2/h6H,1,4H2,2H3",58.40521999999999,-5.94211,
698,[C:1]([C:2]([C:3]#[C:4][C:5]([O:6][H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]=[C:4]([C:5]([O:6][H:14])([H:12])[H:13])[H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-2-3-4-5-6/h6H,2,5H2,1H3","InChI=1S/C5H8O/c1-2-3-4-5-6/h2,4,6H,5H2,1H3",79.2916,-4.5324,
699,[C:1]([C:2]([C:3]#[C:4][C:5]([O:6][H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3](=[C:4]=[C:5]([O:6][H:14])[H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-2-3-4-5-6/h6H,2,5H2,1H3","InChI=1S/C5H8O/c1-2-3-4-5-6/h3,5-6H,2H2,1H3",70.18811,-7.217739999999999,
700,[C:1]([C:2]([C:3]#[C:4][C:5]([O:6][H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]=[C:4]=[C:5]([H:12])[H:13])[H:11])([H:7])([H:8])[H:9].[O:6]([H:10])[H:14],"InChI=1S/C5H8O/c1-2-3-4-5-6/h6H,2,5H2,1H3","InChI=1S/C5H6.H2O/c1-3-5-4-2;/h4H,1H2,2H3;1H2",58.67423,9.3435,
701,[C:1]([C:2]([C:3]#[C:4][C:5]([O:6][H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C@:3]1([H:14])[C:4][C:5]([H:12])([H:13])[O:6]1)([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-2-3-4-5-6/h6H,2,5H2,1H3","InChI=1S/C5H8O/c1-2-5-3-4-6-5/h5H,2,4H2,1H3/t5-/m1/s1",86.46579,71.8663,
702,[C:1]([C:2]([C:3]#[C:4][C:5]([O:6][H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]1([H:7])([H:8])[C:2]([H:10])([H:11])[C:3]1=[C:4]=[C:5]([O:6][H:14])[H:12].[H:9][H:13],"InChI=1S/C5H8O/c1-2-3-4-5-6/h6H,2,5H2,1H3","InChI=1S/C5H6O.H2/c6-4-3-5-1-2-5;/h4,6H,1-2H2;1H",77.03676999999999,36.60005,
703,[C:1]([C:2]([C:3]#[C:4][C:5]([O:6][H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:4](=[C:3]=[C:2]([H:10])[H:11])[C:5]([O:6][H:14])([H:12])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-2-3-4-5-6/h6H,2,5H2,1H3","InChI=1S/C5H8O/c1-3-5(2)4-6/h6H,1,4H2,2H3",74.21422,-4.22478,
704,[C:1]([C:2]([C:3]#[C:4][C:5]([O:6][H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]=[C:4]=[C:5]([O:6][H:14])[H:12])[H:11])([H:7])([H:8])[H:9].[H:10][H:13],"InChI=1S/C5H8O/c1-2-3-4-5-6/h6H,2,5H2,1H3","InChI=1S/C5H6O.H2/c1-2-3-4-5-6;/h2,5-6H,1H3;1H",58.8709,21.73527,
705,[C:1]([C:2]([C:3]#[C:4][C:5]([O:6][H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]1([H:7])([H:8])[C:2]([H:10])([H:11])[C:3]1=[C:4]([C:5]([O:6][H:14])([H:12])[H:13])[H:9],"InChI=1S/C5H8O/c1-2-3-4-5-6/h6H,2,5H2,1H3","InChI=1S/C5H8O/c6-4-3-5-1-2-5/h3,6H,1-2,4H2",82.37405,4.3971800000000005,
706,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[O:5][C@@:6]12[H:14],[C:1]([C:2](=[C:3]([H:10])[H:11])[H:9])([C:6](=[O+:5][C-:4]([H:12])[H:13])[H:14])([H:7])[H:8],"InChI=1S/C5H8O/c1-2-6-5-3-4(1)5/h4-5H,1-3H2/t4-,5+/m1/s1","InChI=1S/C5H8O/c1-3-4-5-6-2/h3,5H,1-2,4H2",53.34981,51.307159999999996,
707,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[O:5][C@@:6]12[H:14],[C:1](=[C:2]([C:6](=[O:5])[H:14])[H:9])([H:7])[H:8].[C:3](=[C:4]([H:12])[H:13])([H:10])[H:11],"InChI=1S/C5H8O/c1-2-6-5-3-4(1)5/h4-5H,1-3H2/t4-,5+/m1/s1","InChI=1S/C3H4O.C2H4/c1-2-3-4;1-2/h2-3H,1H2;1-2H2",44.9316,7.72725,
708,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[O:5][C@@:6]12[H:14],[C:1](=[C:6]([C:2](=[C:3]([H:10])[H:11])[H:9])[H:14])([H:7])[H:8].[C:4](=[O:5])([H:12])[H:13],"InChI=1S/C5H8O/c1-2-6-5-3-4(1)5/h4-5H,1-3H2/t4-,5+/m1/s1","InChI=1S/C4H6.CH2O/c1-3-4-2;1-2/h3-4H,1-2H2;1H2",54.472809999999996,12.95218,
709,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[O:5][C@@:6]12[H:14],[C:1]1([H:8])=[C:6]([H:14])[C:2]1([C:3]([C:4](=[O:5])[H:13])([H:10])[H:11])[H:9].[H:7][H:12],"InChI=1S/C5H8O/c1-2-6-5-3-4(1)5/h4-5H,1-3H2/t4-,5+/m1/s1","InChI=1S/C5H6O.H2/c6-4-3-5-1-2-5;/h1-2,4-5H,3H2;1H",71.71846,47.37981,
710,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[O:5][C@@:6]12[H:14],[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[C-:4]=[O+:5][C@@:6]12[H:14].[H:12][H:13],"InChI=1S/C5H8O/c1-2-6-5-3-4(1)5/h4-5H,1-3H2/t4-,5+/m1/s1","InChI=1S/C5H6O.H2/c1-2-6-5-3-4(1)5;/h4-5H,1,3H2;1H/t4-,5+;/m1./s1",74.27624,64.36275,
711,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[O:5][C@@:6]12[H:14],[C:1]1([H:7])([H:8])[C@:2]([C:3][H:11])([H:9])[C@:6]1([O:5][C:4]([H:10])([H:12])[H:13])[H:14],"InChI=1S/C5H8O/c1-2-6-5-3-4(1)5/h4-5H,1-3H2/t4-,5+/m1/s1","InChI=1S/C5H8O/c1-4-3-5(4)6-2/h1,4-5H,3H2,2H3/t4-,5+/m1/s1",78.2061,82.45564,
712,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[O:5][C@@:6]12[H:14],[C:1]1([H:7])([H:8])[C@:2]2([H:9])[C@@:3]1([H:10])[C:4]([H:12])([H:13])[O:5][C:6]2([H:11])[H:14],"InChI=1S/C5H8O/c1-2-6-5-3-4(1)5/h4-5H,1-3H2/t4-,5+/m1/s1","InChI=1S/C5H8O/c1-4-2-6-3-5(1)4/h4-5H,1-3H2/t4-,5+",85.44454,-4.2749,
713,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[O:5][C@@:6]12[H:14],[C-:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])=[O+:5][C:6]1([H:13])[H:14])([H:7])[H:8],"InChI=1S/C5H8O/c1-2-6-5-3-4(1)5/h4-5H,1-3H2/t4-,5+/m1/s1","InChI=1S/C5H8O/c1-5-2-3-6-4-5/h3,5H,1-2,4H2/t5-/m0/s1",95.23546,47.37314,
714,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[O:5][C@@:6]12[H:14],[C:1]([C@@:6]1([H:14])[C:2]([H:7])([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[O:5]1)[H:8],"InChI=1S/C5H8O/c1-2-6-5-3-4(1)5/h4-5H,1-3H2/t4-,5+/m1/s1","InChI=1S/C5H8O/c1-5-3-2-4-6-5/h1,5H,2-4H2/t5-/m0/s1",63.75338000000001,69.49793000000001,
715,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[O:5][C@@:6]12[H:14],[C:1]1([H:7])([H:8])[C-:2]([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])=[O+:5][C:6]1([H:13])[H:14],"InChI=1S/C5H8O/c1-2-6-5-3-4(1)5/h4-5H,1-3H2/t4-,5+/m1/s1","InChI=1S/C5H8O/c1-2-4-6-5-3-1/h1,4H,2-3,5H2",88.17090999999999,50.63974,
716,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[O:5][C@@:6]12[H:14],[C:1]([C@@:6]1([H:14])[C:2][C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[O:5]1)([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-2-6-5-3-4(1)5/h4-5H,1-3H2/t4-,5+/m1/s1","InChI=1S/C5H8O/c1-5-3-2-4-6-5/h5H,2,4H2,1H3/t5-/m0/s1",59.94165,57.05647,
717,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[O:5][C@@:6]12[H:14],[C:1]1([H:7])([H:8])[C:2][C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[O:5][C:6]1([H:9])[H:14],"InChI=1S/C5H8O/c1-2-6-5-3-4(1)5/h4-5H,1-3H2/t4-,5+/m1/s1",InChI=1S/C5H8O/c1-2-4-6-5-3-1/h2-5H2,64.4187,62.31754,
718,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[O:5][C@@:6]12[H:14],[C:1]1([H:7])([H:8])[C:2]([H:9])([H:14])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[O+:5]=[C-:6]1,"InChI=1S/C5H8O/c1-2-6-5-3-4(1)5/h4-5H,1-3H2/t4-,5+/m1/s1",InChI=1S/C5H8O/c1-2-4-6-5-3-1/h1-4H2,52.1503,31.248520000000003,
719,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[O:5][C@@:6]12[H:14],[C:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[O:5]1)([C:6][H:14])([H:7])[H:8],"InChI=1S/C5H8O/c1-2-6-5-3-4(1)5/h4-5H,1-3H2/t4-,5+/m1/s1","InChI=1S/C5H8O/c1-2-5-3-4-6-5/h1,5H,2-4H2/t5-/m0/s1",119.98857,90.74795,
720,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[O:5][C@@:6]12[H:14],[C:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C-:4]([H:13])[O+:5]=[C:6]1[H:14])([H:7])([H:8])[H:12],"InChI=1S/C5H8O/c1-2-6-5-3-4(1)5/h4-5H,1-3H2/t4-,5+/m1/s1","InChI=1S/C5H8O/c1-5-2-3-6-4-5/h3-5H,2H2,1H3/t5-/m0/s1",58.59021,31.73381,
721,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[O:5][C@@:6]12[H:14],[C:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[O:5][C:6]1([H:7])[H:14])[H:8],"InChI=1S/C5H8O/c1-2-6-5-3-4(1)5/h4-5H,1-3H2/t4-,5+/m1/s1","InChI=1S/C5H8O/c1-5-2-3-6-4-5/h1,5H,2-4H2/t5-/m0/s1",66.49991999999999,72.35368000000001,
722,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[O:5][C@@:6]12[H:14],[C:1]1([H:8])=[C:6]([H:14])[C:2]1([C:3]([C:4]([O:5][H:7])([H:12])[H:13])([H:10])[H:11])[H:9],"InChI=1S/C5H8O/c1-2-6-5-3-4(1)5/h4-5H,1-3H2/t4-,5+/m1/s1","InChI=1S/C5H8O/c6-4-3-5-1-2-5/h1-2,5-6H,3-4H2",69.92753,28.11962,
723,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[O:5][C@@:6]12[H:14],[C:1]1([H:7])([H:8])[C:2]([H:9])=[C:6]([H:14])[O:5][C:4]([H:12])([H:13])[C:3]1([H:10])[H:11],"InChI=1S/C5H8O/c1-2-6-5-3-4(1)5/h4-5H,1-3H2/t4-,5+/m1/s1","InChI=1S/C5H8O/c1-2-4-6-5-3-1/h2,4H,1,3,5H2",106.8561,-18.349520000000002,
724,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[O:5][C@@:6]12[H:14],[C:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[O+:5]=[C-:6]1)([H:7])([H:8])[H:14],"InChI=1S/C5H8O/c1-2-6-5-3-4(1)5/h4-5H,1-3H2/t4-,5+/m1/s1","InChI=1S/C5H8O/c1-5-2-3-6-4-5/h5H,2-3H2,1H3/t5-/m0/s1",46.97401,25.34662,
725,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[O:5][C@@:6]12[H:14],[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[C-:4]([H:12])[O+:5]=[C:6]12.[H:13][H:14],"InChI=1S/C5H8O/c1-2-6-5-3-4(1)5/h4-5H,1-3H2/t4-,5+/m1/s1","InChI=1S/C5H6O.H2/c1-2-6-5-3-4(1)5;/h2,4H,1,3H2;1H/t4-;/m1./s1",86.84384,83.60759,
726,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[O:5][C@@:6]12[H:14],[C:1]([C@@:2]1([H:9])[C-:3]([H:11])[C:4]([H:12])([H:13])[O+:5]=[C:6]1[H:14])([H:7])([H:8])[H:10],"InChI=1S/C5H8O/c1-2-6-5-3-4(1)5/h4-5H,1-3H2/t4-,5+/m1/s1","InChI=1S/C5H8O/c1-5-2-3-6-4-5/h2,4-5H,3H2,1H3/t5-/m0/s1",90.31888000000001,61.3557,
727,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[O:5][C@@:6]12[H:14],[C:1]1([H:7])([H:8])[C-:2]2[C:3]([H:10])([H:11])[C:4]([H:12])=[O+:5][C@@:6]12[H:14].[H:9][H:13],"InChI=1S/C5H8O/c1-2-6-5-3-4(1)5/h4-5H,1-3H2/t4-,5+/m1/s1","InChI=1S/C5H6O.H2/c1-2-6-5-3-4(1)5;/h2,5H,1,3H2;1H/t5-;/m0./s1",105.80115,91.6188,
728,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[O:5][C@@:6]12[H:14],[C:1]1([H:7])([H:8])[O:5][C@@:6]1([C:2]1([H:9])[C:3]([H:10])([H:11])[C:4]1([H:12])[H:13])[H:14],"InChI=1S/C5H8O/c1-2-6-5-3-4(1)5/h4-5H,1-3H2/t4-,5+/m1/s1","InChI=1S/C5H8O/c1-2-4(1)5-3-6-5/h4-5H,1-3H2/t5-/m0/s1",94.49291,13.62455,
729,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[O:5][C@@:6]12[H:14],[C:1](=[C:6]1[C:2]([H:9])=[C:3]([H:10])[C:4]([H:12])([H:13])[O:5]1)([H:7])[H:8].[H:11][H:14],"InChI=1S/C5H8O/c1-2-6-5-3-4(1)5/h4-5H,1-3H2/t4-,5+/m1/s1","InChI=1S/C5H6O.H2/c1-5-3-2-4-6-5;/h2-3H,1,4H2;1H",107.01997,6.39095,
730,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[O:5][C@@:6]12[H:14],[C:1](=[C:6]([O:5][C:4]([C:3](=[C:2]([H:9])[H:11])[H:10])([H:12])[H:13])[H:14])([H:7])[H:8],"InChI=1S/C5H8O/c1-2-6-5-3-4(1)5/h4-5H,1-3H2/t4-,5+/m1/s1","InChI=1S/C5H8O/c1-3-5-6-4-2/h3-4H,1-2,5H2",80.27566999999999,3.93929,
731,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[O:5][C@@:6]12[H:14],[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3][C:4]([H:12])([H:13])[O:5][C@@:6]12[H:14].[H:10][H:11],"InChI=1S/C5H8O/c1-2-6-5-3-4(1)5/h4-5H,1-3H2/t4-,5+/m1/s1","InChI=1S/C5H6O.H2/c1-2-6-5-3-4(1)5;/h4-5H,2-3H2;1H/t4-,5+;/m1./s1",86.3176,87.89229,
732,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[O:5][C@@:6]12[H:14],[C:1](=[C:2]([C:3]([C:4]([O+:5]=[C-:6][H:14])([H:12])[H:13])([H:10])[H:11])[H:9])([H:7])[H:8],"InChI=1S/C5H8O/c1-2-6-5-3-4(1)5/h4-5H,1-3H2/t4-,5+/m1/s1","InChI=1S/C5H8O/c1-3-4-5-6-2/h2-3H,1,4-5H2",56.099759999999996,54.40262,
733,[O:1]=[C:2]([C:3]#[C:4][C:5]#[N:6])[H:7],[O-:1][N+:6]#[C:5][C:4]1=[C:3]=[C:2]1[H:7],InChI=1S/C4HNO/c5-3-1-2-4-6/h4H,InChI=1S/C4HNO/c6-5-3-4-1-2-4/h1H,143.97727,85.92293000000001,
734,[O:1]=[C:2]([C:3]#[C:4][C:5]#[N:6])[H:7],[O:1]=[C:2]([C:5]1=[N:6][C:4]1=[C:3])[H:7],InChI=1S/C4HNO/c5-3-1-2-4-6/h4H,InChI=1S/C4HNO/c1-3-4(2-6)5-3/h2H,101.99512,98.81057,
735,[O:1]=[C:2]([C:3]#[C:4][C:5]#[N:6])[H:7],[O:1]=[C:4]([C:3]#[C:2][H:7])[C:5]#[N:6],InChI=1S/C4HNO/c5-3-1-2-4-6/h4H,InChI=1S/C4HNO/c1-2-4(6)3-5/h1H,80.0556,6.82883,
736,[O:1]=[C:2]([C:3]#[C:4][C:5]#[N:6])[H:7],[O:1]=[C:2]([N+:6]#[C:5][C:4]#[C-:3])[H:7],InChI=1S/C4HNO/c5-3-1-2-4-6/h4H,InChI=1S/C4HNO/c1-2-3-5-4-6/h4H,78.84447,44.14967,
737,[O:1]=[C:2]([C:3]#[C:4][C:5]#[N:6])[H:7],[O:1]=[C:2]=[C:3]=[C:4]=[C:5]=[N:6][H:7],InChI=1S/C4HNO/c5-3-1-2-4-6/h4H,InChI=1S/C4HNO/c5-3-1-2-4-6/h5H,73.31713,15.76685,
738,[O:1]=[C:2]([C:3]#[C:4][C:5]#[N:6])[H:7],[O:1]=[C:2]([C:3](=[C-:4])[N+:6]#[C:5])[H:7],InChI=1S/C4HNO/c5-3-1-2-4-6/h4H,InChI=1S/C4HNO/c1-4(3-6)5-2/h3H,92.11646999999999,84.98586,
739,[O:1]=[C:2]([C:3]#[C:4][C:5]#[N:6])[H:7],[O+:1](=[C:2]([C:3]#[C-:4])[H:7])[C:5]#[N:6],InChI=1S/C4HNO/c5-3-1-2-4-6/h4H,InChI=1S/C4HNO/c1-2-3-6-4-5/h3H,105.79942,74.62621,
740,[O:1]=[C:2]([C:3]#[C:4][C:5]#[N:6])[H:7],[O:1]=[C:2]([C:3]#[C:4][N+:6]#[C-:5])[H:7],InChI=1S/C4HNO/c5-3-1-2-4-6/h4H,InChI=1S/C4HNO/c1-5-3-2-4-6/h4H,59.84846999999999,28.815520000000003,
741,[O:1]=[C:2]([C:3]#[C:4][C:5]#[N:6])[H:7],[C-:3]#[C:4][C+:5]=[N:6][H:7].[O+:1]#[C-:2],InChI=1S/C4HNO/c5-3-1-2-4-6/h4H,InChI=1S/C3HN.CO/c1-2-3-4;1-2/h4H;,73.88996999999999,46.10934,
742,[O:1]=[C:2]([C:3]#[C:4][C:5]#[N:6])[H:7],[O:1]=[C:2]([C:3](=[C:4])[C:5]#[N:6])[H:7],InChI=1S/C4HNO/c5-3-1-2-4-6/h4H,InChI=1S/C4HNO/c1-4(2-5)3-6/h3H,52.876090000000005,55.86838,
743,[O:1]=[C:2]([C:3]#[C:4][C:5]#[N:6])[H:7],[C:3](#[C:4][C:5]#[N:6])[H:7].[O+:1]#[C-:2],InChI=1S/C4HNO/c5-3-1-2-4-6/h4H,InChI=1S/C3HN.CO/c1-2-3-4;1-2/h1H;,66.14966,-1.13933,"1,2_Insertion_CO"
744,[N:1]#[C:2][C@@:3]1([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[N:6]1[H:12],[N+:1](#[C-:2])[C:4]([C+:3]([N:6]([C-:5]([H:10])[H:11])[H:12])[H:7])([H:8])[H:9],"InChI=1S/C4H6N2/c5-3-4-1-2-6-4/h4,6H,1-2H2/t4-/m1/s1","InChI=1S/C4H6N2/c1-5-3-4-6-2/h3,5H,1,4H2",97.64742,45.73735,
745,[N:1]#[C:2][C@@:3]1([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[N:6]1[H:12],[N:1]#[C:2][C@@:3]1([H:7])[C-:4]([H:9])[C:5]([H:10])([H:11])[N+:6]1([H:8])[H:12],"InChI=1S/C4H6N2/c5-3-4-1-2-6-4/h4,6H,1-2H2/t4-/m1/s1","InChI=1S/C4H5N2/c5-3-4-1-2-6-4/h1,4,6H,2H2/q-1/p+1/t4-/m1/s1",74.0151,66.18403,
746,[N:1]#[C:2][C@@:3]1([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[N:6]1[H:12],[N+:1](#[C-:2])[C@@:3]1([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[N:6]1[H:12],"InChI=1S/C4H6N2/c5-3-4-1-2-6-4/h4,6H,1-2H2/t4-/m1/s1","InChI=1S/C4H6N2/c1-5-4-2-3-6-4/h4,6H,2-3H2/t4-/m1/s1",47.53289,22.907020000000003,
747,[N:1]#[C:2][C@@:3]1([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[N:6]1[H:12],[N:1]#[C:2][C-:3]1[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[N+:6]1([H:7])[H:12],"InChI=1S/C4H6N2/c5-3-4-1-2-6-4/h4,6H,1-2H2/t4-/m1/s1","InChI=1S/C4H6N2/c5-3-4-1-2-6-4/h1-2,6H2",61.589330000000004,41.01853,
748,[N:1]#[C:2][C@@:3]1([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[N:6]1[H:12],[C-:3]1([H:7])[C:4]([H:8])([H:9])[C+:5]([H:11])[N:6]1[H:12].[N:1]#[C:2][H:10],"InChI=1S/C4H6N2/c5-3-4-1-2-6-4/h4,6H,1-2H2/t4-/m1/s1","InChI=1S/C3H5N.CHN/c1-2-4-3-1;1-2/h2-4H,1H2;1H",56.676759999999994,64.67086,
749,[N:1]#[C:2][C@@:3]1([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[N:6]1[H:12],[N:1]1([H:9])[C:2][C@@:3]2([H:7])[C@:4]1([H:8])[C:5]([H:10])([H:11])[N:6]2[H:12],"InChI=1S/C4H6N2/c5-3-4-1-2-6-4/h4,6H,1-2H2/t4-/m1/s1","InChI=1S/C4H6N2/c1-3-4(5-1)2-6-3/h3-6H,1H2/t3-,4-/m0/s1",115.85968999999999,69.02816,
750,[N:1]#[C:2][C@@:3]1([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[N:6]1[H:12],[N:1]1([H:10])[C:2][C@@:3]2([H:7])[C:4]([H:8])([H:9])[C@:5]1([H:11])[N:6]2[H:12],"InChI=1S/C4H6N2/c5-3-4-1-2-6-4/h4,6H,1-2H2/t4-/m1/s1","InChI=1S/C4H6N2/c1-3-2-5-4(1)6-3/h3-6H,1H2/t3-,4+/m1/s1",78.62049,60.65234,
751,[N:1]#[C:2][C@@:3]1([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[N:6]1[H:12],[N:1]#[C:2][C@@:3]1([H:7])[C-:4]([H:9])[N+:6]1([C:5]([H:8])([H:10])[H:11])[H:12],"InChI=1S/C4H6N2/c5-3-4-1-2-6-4/h4,6H,1-2H2/t4-/m1/s1","InChI=1S/C4H6N2/c1-6-3-4(6)2-5/h3-4,6H,1H3/t4-/m0/s1",100.61882,60.0325,
752,[N:1]#[C:2][C@@:3]1([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[N:6]1[H:12],[H:8][H:11].[N:1]#[C:2][C@@:3]1([H:7])[C:4]([H:9])=[C:5]([H:10])[N:6]1[H:12],"InChI=1S/C4H6N2/c5-3-4-1-2-6-4/h4,6H,1-2H2/t4-/m1/s1","InChI=1S/C4H4N2.H2/c5-3-4-1-2-6-4;/h1-2,4,6H;1H/t4-;/m1./s1",102.49004000000001,33.56729,
753,[N:1]#[C:2][C@@:3]1([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[N:6]1[H:12],[C:3]1([H:7])=[N:6][C:5]([H:10])([H:11])[C:4]1([H:8])[H:9].[N:1](=[C:2])[H:12],"InChI=1S/C4H6N2/c5-3-4-1-2-6-4/h4,6H,1-2H2/t4-/m1/s1","InChI=1S/C3H5N.CHN/c1-2-4-3-1;1-2/h2H,1,3H2;2H",53.10146999999999,43.30701,
754,[N:1]#[C:2][C@@:3]1([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[N:6]1[H:12],[N:1]#[C:2][N:6]([C:5]([C:4]([C:3][H:7])([H:8])[H:9])([H:10])[H:11])[H:12],"InChI=1S/C4H6N2/c5-3-4-1-2-6-4/h4,6H,1-2H2/t4-/m1/s1","InChI=1S/C4H6N2/c1-2-3-6-4-5/h1,6H,2-3H2",83.24602,83.63414,
755,[N:1]#[C:2][C@@:3]1([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[N:6]1[H:12],[N:1]#[C:2][C@@:3]([C:4]([H:8])([H:9])[H:11])([N:6]([C:5][H:10])[H:12])[H:7],"InChI=1S/C4H6N2/c5-3-4-1-2-6-4/h4,6H,1-2H2/t4-/m1/s1","InChI=1S/C4H6N2/c1-4(3-5)6-2/h2,4,6H,1H3/t4-/m1/s1",85.84888000000001,34.295609999999996,
756,[N:1]#[C:2][C@@:3]1([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[N:6]1[H:12],[N:1](=[C:2]=[C:3]1[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[N:6]1[H:12])[H:7],"InChI=1S/C4H6N2/c5-3-4-1-2-6-4/h4,6H,1-2H2/t4-/m1/s1","InChI=1S/C4H6N2/c5-3-4-1-2-6-4/h5-6H,1-2H2",87.99476999999999,21.54075,
757,[N:1]#[C:2][C@@:3]1([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[N:6]1[H:12],[N:1]#[C:2][C@@:3]1([H:7])[C:4]([H:8])([H:9])[C-:5]([H:10])[N+:6]1([H:11])[H:12],"InChI=1S/C4H6N2/c5-3-4-1-2-6-4/h4,6H,1-2H2/t4-/m1/s1","InChI=1S/C4H6N2/c5-3-4-1-2-6-4/h2,4H,1,6H2/t4-/m1/s1",76.61426999999999,61.317,
758,[N:1]#[C:2][C@@:3]1([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[N:6]1[H:12],[H:7][H:11].[N-:1]=[C:2]=[C:3]1[C:4]([H:8])([H:9])[C+:5]([H:10])[N:6]1[H:12],"InChI=1S/C4H6N2/c5-3-4-1-2-6-4/h4,6H,1-2H2/t4-/m1/s1","InChI=1S/C4H4N2.H2/c5-3-4-1-2-6-4;/h2,6H,1H2;1H",60.395230000000005,50.975970000000004,
759,[N:1]#[C:2][C@@:3]1([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[N:6]1[H:12],[H:10][H:11].[N:1]#[C:2][C@@:3]1([H:7])[C:4]([H:8])([H:9])[C:5][N:6]1[H:12],"InChI=1S/C4H6N2/c5-3-4-1-2-6-4/h4,6H,1-2H2/t4-/m1/s1","InChI=1S/C4H4N2.H2/c5-3-4-1-2-6-4;/h4,6H,1H2;1H/t4-;/m1./s1",74.75332,65.82746999999999,
760,[N:1]#[C:2][C@@:3]1([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[N:6]1[H:12],[C:5](=[N:6][H:12])([H:10])[H:11].[N:1]#[C:2][C:3](=[C:4]([H:8])[H:9])[H:7],"InChI=1S/C4H6N2/c5-3-4-1-2-6-4/h4,6H,1-2H2/t4-/m1/s1","InChI=1S/C3H3N.CH3N/c1-2-3-4;1-2/h2H,1H2;2H,1H2",56.60775,7.20747,
761,[O:1]=[c:2]1[n:3]([H:7])[n:4][n:5][n:6]1[H:8],[O:1]([c:2]1[n:3][n:4][n:5][n:6]1[H:8])[H:7],"InChI=1S/CH2N4O/c6-1-2-4-5-3-1/h(H2,2,3,4,5,6)","InChI=1S/CH2N4O/c6-1-2-4-5-3-1/h(H2,2,3,4,5,6)",52.03513,8.61552,ketoenol
762,[O:1]=[c:2]1[n:3]([H:7])[n:4][n:5][n:6]1[H:8],[O-:1][c:2]1[n:3][n:4]([H:7])[n:5][n+:6]1[H:8],"InChI=1S/CH2N4O/c6-1-2-4-5-3-1/h(H2,2,3,4,5,6)","InChI=1S/CH2N4O/c6-1-2-4-5-3-1/h(H2,2,3,4,5,6)",58.6974,12.90059,
763,[O:1]=[c:2]1[n:3]([H:7])[n:4][n:5][n:6]1[H:8],[N:3](=[N:4]/[N:5]=[N:6]/[H:8])\[H:7].[O+:1]#[C-:2],"InChI=1S/CH2N4O/c6-1-2-4-5-3-1/h(H2,2,3,4,5,6)","InChI=1S/CO.H2N4/c1-2;1-3-4-2/h;1-2H/b;3-1+,4-2+",72.68991,60.82238,
764,[O:1]=[c:2]1[n:3]([H:7])[n:4][n:5][n:6]1[H:8],[N:3](=[N+:4]=[N-:5])[H:7].[O:1]=[C:2]=[N:6][H:8],"InChI=1S/CH2N4O/c6-1-2-4-5-3-1/h(H2,2,3,4,5,6)",InChI=1S/CHNO.HN3/c2-1-3;1-3-2/h2H;1H,36.20944,7.946680000000001,
765,[N:1]([c:2]1[c:3]([H:9])[n:4]([H:10])[n:5][n:6]1)([H:7])[H:8],[N:1]([C:2](/[C:3](=[N:4]/[H:10])[H:9])=[N+:6]=[N-:5])([H:7])[H:8],"InChI=1S/C2H4N4/c3-2-1-4-6-5-2/h1H,(H3,3,4,5,6)","InChI=1S/C2H4N4/c3-1-2(4)6-5/h1,3H,4H2/b3-1+",24.02378,15.84332,
766,[N:1]([c:2]1[c:3]([H:9])[n:4]([H:10])[n:5][n:6]1)([H:7])[H:8],[N:1]([C:2](=[C:3]=[N:4][H:10])[H:9])([H:7])[H:8].[N:5]#[N:6],"InChI=1S/C2H4N4/c3-2-1-4-6-5-2/h1H,(H3,3,4,5,6)","InChI=1S/C2H4N2.N2/c3-1-2-4;1-2/h1,4H,3H2;",66.03111,-11.94439,
767,[N:1]([c:2]1[c:3]([H:9])[n:4]([H:10])[n:5][n:6]1)([H:7])[H:8],[N:1]([C:2]1=[N:6][N:5]=[N:4][C:3]1([H:9])[H:10])([H:7])[H:8],"InChI=1S/C2H4N4/c3-2-1-4-6-5-2/h1H,(H3,3,4,5,6)","InChI=1S/C2H4N4/c3-2-1-4-6-5-2/h1H2,(H2,3,4,5)",46.75173,13.70535,
768,[N:1]([c:2]1[c:3]([H:9])[n:4]([H:10])[n:5][n:6]1)([H:7])[H:8],[N-:1]([c:2]1[c:3]([H:9])[n+:4]([H:10])[n:5][n:6]1[H:7])[H:8],"InChI=1S/C2H4N4/c3-2-1-4-6-5-2/h1H,(H3,3,4,5,6)","InChI=1S/C2H3N4/c3-2-1-4-6-5-2/h1H,(H2-,3,4,5,6)/q-1/p+1",56.433080000000004,24.179779999999997,
769,[N:1]([c:2]1[c:3]([H:9])[n:4]([H:10])[n:5][n:6]1)([H:7])[H:8],[N:1]([C:2]/[C:3](=[N:4]/[H:10])[H:9])([H:7])[H:8].[N:5]#[N:6],"InChI=1S/C2H4N4/c3-2-1-4-6-5-2/h1H,(H3,3,4,5,6)","InChI=1S/C2H4N2.N2/c3-1-2-4;1-2/h1,3H,4H2;/b3-1+;",32.09315,13.8831,
770,[N:1]([c:2]1[c:3]([H:9])[n:4]([H:10])[n:5][n:6]1)([H:7])[H:8],[N:1]([c:2]1[c:3]([H:9])[n:4][n:5]([H:10])[n:6]1)([H:7])[H:8],"InChI=1S/C2H4N4/c3-2-1-4-6-5-2/h1H,(H3,3,4,5,6)","InChI=1S/C2H4N4/c3-2-1-4-6-5-2/h1H,(H3,3,4,5,6)",40.12223,-7.890960000000001,
771,[N:1]([c:2]1[c:3]([H:9])[n:4]([H:10])[n:5][n:6]1)([H:7])[H:8],[N:1]([C:2]#[C:3][H:9])([H:7])[H:8].[N:4](=[N+:5]=[N-:6])[H:10],"InChI=1S/C2H4N4/c3-2-1-4-6-5-2/h1H,(H3,3,4,5,6)","InChI=1S/C2H3N.HN3/c1-2-3;1-3-2/h1H,3H2;1H",73.27264,62.12436999999999,
772,[N:1]([c:2]1[c:3]([H:9])[n:4]([H:10])[n:5][n:6]1)([H:7])[H:8],[N:1](=[C:2]1/[C:3]([H:7])([H:9])[N:4]([H:10])[N:5]=[N:6]1)\[H:8],"InChI=1S/C2H4N4/c3-2-1-4-6-5-2/h1H,(H3,3,4,5,6)","InChI=1S/C2H4N4/c3-2-1-4-6-5-2/h1H2,(H2,3,4,5)",75.34025,16.38928,
773,[N:1]([c:2]1[c:3]([H:9])[n:4]([H:10])[n:5][n:6]1)([H:7])[H:8],[N:1]([C:3](=[C:2]=[N:6][N:5]=[N:4][H:10])[H:9])([H:7])[H:8],"InChI=1S/C2H4N4/c3-2-1-4-6-5-2/h1H,(H3,3,4,5,6)","InChI=1S/C2H4N4/c3-1-2-5-6-4/h1,4H,3H2",97.37209,54.535540000000005,
774,[N:1]([c:2]1[c:3]([H:9])[n:4]([H:10])[n:5][n:6]1)([H:7])[H:8],[N:1]([C:2]1=[C:3]([H:9])[N:6]1/[N:5]=[N:4]/[H:10])([H:7])[H:8],"InChI=1S/C2H4N4/c3-2-1-4-6-5-2/h1H,(H3,3,4,5,6)","InChI=1S/C2H4N4/c3-2-1-6(2)5-4/h1,4H,3H2/b5-4+",92.49799,87.71606,
775,[N:1]([c:2]1[c:3]([H:9])[n:4]([H:10])[n:5][n:6]1)([H:7])[H:8],[N:1]([N+:6]1=[C:2]=[C:3]([H:9])[N:4]([H:10])[N-:5]1)([H:7])[H:8],"InChI=1S/C2H4N4/c3-2-1-4-6-5-2/h1H,(H3,3,4,5,6)","InChI=1S/C2H4N4/c3-6-2-1-4-5-6/h1,4H,(H2,3,5)",121.19108,60.27008000000001,
776,[N:1]([c:2]1[c:3]([H:9])[n:4]([H:10])[n:5][n:6]1)([H:7])[H:8],[N:1]([C:2]1=[N:6][C@:3]1([N+:4](=[N-:5])[H:10])[H:9])([H:7])[H:8],"InChI=1S/C2H4N4/c3-2-1-4-6-5-2/h1H,(H3,3,4,5,6)","InChI=1S/C2H4N4/c3-1-2(5-1)6-4/h2,6H,(H2,3,5)/t2-/m0/s1",92.6493,62.674519999999994,
777,[C:1]([C:2]([C:3]([N:4]1[C:5]([H:14])([H:15])[C:6]1([H:16])[H:17])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([C:5]([N:4]=[C:6]([H:16])[H:17])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H11N/c1-2-3-6-4-5-6/h2-5H2,1H3","InChI=1S/C5H11N/c1-3-4-5-6-2/h2-5H2,1H3",86.2301,-16.60655,
778,[C:1]([C:2]([C:3]([N:4]1[C:5]([H:14])([H:15])[C:6]1([H:16])[H:17])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([N+:4]1([H:16])[C:5]([H:14])([H:15])[C-:6]1[H:17])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H11N/c1-2-3-6-4-5-6/h2-5H2,1H3","InChI=1S/C5H11N/c1-2-3-6-4-5-6/h4,6H,2-3,5H2,1H3",63.33192,52.85547,
779,[C:1]([C:2]([C:3]([N:4]1[C:5]([H:14])([H:15])[C:6]1([H:16])[H:17])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C-:3]([N+:4]1=[C:6]([H:16])[C:5]1([H:14])[H:15])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9].[H:12][H:17],"InChI=1S/C5H11N/c1-2-3-6-4-5-6/h2-5H2,1H3","InChI=1S/C5H9N.H2/c1-2-3-6-4-5-6;/h3-4H,2,5H2,1H3;1H",66.82736,62.5858,
780,[C:1]([C:2]([C:3]([N:4]1[C:5]([H:14])([H:15])[C:6]1([H:16])[H:17])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]([H:12])[H:13])[H:11])([H:7])([H:8])[H:9].[H:10][H:17].[N:4]1=[C:6]([H:16])[C:5]1([H:14])[H:15],"InChI=1S/C5H11N/c1-2-3-6-4-5-6/h2-5H2,1H3","InChI=1S/C3H6.C2H3N.H2/c1-3-2;1-2-3-1;/h3H,1H2,2H3;1H,2H2;1H",71.21366,51.342690000000005,
781,[C:1]([C:2]([C:3]([N:4]1[C:5]([H:14])([H:15])[C:6]1([H:16])[H:17])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([N+:4]([C-:5]([H:14])[H:15])=[C:6]([H:16])[H:17])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H11N/c1-2-3-6-4-5-6/h2-5H2,1H3","InChI=1S/C5H11N/c1-4-5-6(2)3/h2-5H2,1H3",38.37558,18.55842,
782,[C:1]([C:2]([C:3]([N:4]1[C:5]([H:14])([H:15])[C:6]1([H:16])[H:17])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([N:4]=[C:3]([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9].[C:5](=[C:6]([H:16])[H:17])([H:14])[H:15],"InChI=1S/C5H11N/c1-2-3-6-4-5-6/h2-5H2,1H3","InChI=1S/C3H7N.C2H4/c1-3-4-2;1-2/h2-3H2,1H3;1-2H2",85.77663000000001,6.84523,
783,[C:1]([C:2]([C:3]([N:4]1[C:5]([H:14])([H:15])[C:6]1([H:16])[H:17])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C-:3]([N+:4]1=[C:6]([H:17])[C:5]1([H:14])[H:15])([H:12])[H:13].[C:1]([C:2]([H:10])([H:11])[H:16])([H:7])([H:8])[H:9],"InChI=1S/C5H11N/c1-2-3-6-4-5-6/h2-5H2,1H3","InChI=1S/C3H5N.C2H6/c1-4-2-3-4;1-2/h2H,1,3H2;1-2H3",77.81331999999999,54.5537,
784,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@:3]3([H:10])[O:4][C@@:5]2([H:11])[C@:6]13[H:12],[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:12])[O:4][C@@:5]2([H:11])[C:6]1,"InChI=1S/C5H6O/c1-2-4-3(1)5(2)6-4/h2-5H,1H2/t2-,3+,4-,5+","InChI=1S/C5H6O/c1-2-5-4(1)3-6-5/h4-5H,1,3H2/t4-,5-/m0/s1",61.403780000000005,42.63993,
785,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@:3]3([H:10])[O:4][C@@:5]2([H:11])[C@:6]13[H:12],[C:1]([C@@:6]1([H:12])[C@@:3]2([H:10])[C:2]([H:7])([H:9])[C@:5]1([H:11])[O:4]2)[H:8],"InChI=1S/C5H6O/c1-2-4-3(1)5(2)6-4/h2-5H,1H2/t2-,3+,4-,5+","InChI=1S/C5H6O/c1-3-4-2-5(3)6-4/h1,3-5H,2H2/t3-,4+,5-",73.14477,69.50999,
786,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@:3]3([H:10])[O:4][C@@:5]2([H:11])[C@:6]13[H:12],[C:1](=[C:6]([C@:3]1([H:10])[C:2]([H:9])=[C:5]([H:11])[O:4]1)[H:12])([H:7])[H:8],"InChI=1S/C5H6O/c1-2-4-3(1)5(2)6-4/h2-5H,1H2/t2-,3+,4-,5+","InChI=1S/C5H6O/c1-2-5-3-4-6-5/h2-5H,1H2/t5-/m1/s1",73.14336,-36.95414,
787,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@:3]3([H:10])[O:4][C@@:5]2([H:11])[C@:6]13[H:12],[C:1]1([H:7])([H:8])[C:2]([H:9])=[C:3]([H:10])[C@@:6]1([C:5](=[O:4])[H:11])[H:12],"InChI=1S/C5H6O/c1-2-4-3(1)5(2)6-4/h2-5H,1H2/t2-,3+,4-,5+","InChI=1S/C5H6O/c6-4-5-2-1-3-5/h1-2,4-5H,3H2/t5-/m0/s1",25.09834,-52.48489,
788,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@:3]3([H:10])[O:4][C@@:5]2([H:11])[C@:6]13[H:12],[C-:1]1([H:7])[C@:2]2([H:9])[C:3]3=[O+:4][C@:5]2([H:11])[C@@:6]13[H:12].[H:8][H:10],"InChI=1S/C5H6O/c1-2-4-3(1)5(2)6-4/h2-5H,1H2/t2-,3+,4-,5+","InChI=1S/C5H4O.H2/c1-2-4-3(1)5(2)6-4;/h1-4H;1H/t2-,3+,4-;",76.25953,64.35517,
789,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@:3]3([H:10])[O:4][C@@:5]2([H:11])[C@:6]13[H:12],[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C-:3]=[O+:4][C@@:5]2([H:11])[C:6]1([H:10])[H:12],"InChI=1S/C5H6O/c1-2-4-3(1)5(2)6-4/h2-5H,1H2/t2-,3+,4-,5+","InChI=1S/C5H6O/c1-2-5-4(1)3-6-5/h4-5H,1-2H2/t4-,5-/m0/s1",49.581990000000005,7.238239999999999,
790,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@:3]3([H:10])[O:4][C@@:5]2([H:11])[C@:6]13[H:12],[C:1]([C@@:2]1([H:9])[C@:3]2([H:10])[O:4][C@@:5]1([H:11])[C:6]2)([H:7])([H:8])[H:12],"InChI=1S/C5H6O/c1-2-4-3(1)5(2)6-4/h2-5H,1H2/t2-,3+,4-,5+","InChI=1S/C5H6O/c1-3-4-2-5(3)6-4/h3-5H,1H3/t3-,4+,5-",65.34288000000001,40.52019,
791,[O:1]([C:2]([C:3]([C:4](=[O:5])[H:11])([H:9])[H:10])([H:7])[H:8])[H:6],[C:3](=[C:4]([O:5][H:6])[H:11])([H:9])[H:10].[O:1]=[C:2]([H:7])[H:8],"InChI=1S/C3H6O2/c4-2-1-3-5/h2,5H,1,3H2","InChI=1S/C2H4O.CH2O/c1-2-3;1-2/h2-3H,1H2;1H2",21.239060000000002,20.20545,Retroene
792,[O:1]([C:2]([C:3]([C:4](=[O:5])[H:11])([H:9])[H:10])([H:7])[H:8])[H:6],[O:1]([C:2]([O:5][C:4](=[C:3]([H:9])[H:10])[H:11])([H:7])[H:8])[H:6],"InChI=1S/C3H6O2/c4-2-1-3-5/h2,5H,1,3H2","InChI=1S/C3H6O2/c1-2-5-3-4/h2,4H,1,3H2",58.37676,10.65028,ketoenol
793,[O:1]([C:2]([C:3]([C:4](=[O:5])[H:11])([H:9])[H:10])([H:7])[H:8])[H:6],[C:2](=[C:3]([C:4](=[O:5])[H:11])[H:10])([H:7])[H:8].[O:1]([H:6])[H:9],"InChI=1S/C3H6O2/c4-2-1-3-5/h2,5H,1,3H2","InChI=1S/C3H4O.H2O/c1-2-3-4;/h2-3H,1H2;1H2",47.68316,6.11333,"1,3_Insertion_ROR"
794,[O:1]([C:2]([C:3]([C:4](=[O:5])[H:11])([H:9])[H:10])([H:7])[H:8])[H:6],[O:1]1[C:2]([H:7])([H:8])[C:3]([H:9])([H:10])[C@@:4]1([O:5][H:6])[H:11],"InChI=1S/C3H6O2/c4-2-1-3-5/h2,5H,1,3H2","InChI=1S/C3H6O2/c4-3-1-2-5-3/h3-4H,1-2H2/t3-/m1/s1",43.50974,10.22816,
795,[O:1]([C:2]([C:3]([C:4](=[O:5])[H:11])([H:9])[H:10])([H:7])[H:8])[H:6],[C-:4]#[O+:5].[C:2](=[C:3]([H:9])[H:10])([H:7])[H:8].[O:1]([H:6])[H:11],"InChI=1S/C3H6O2/c4-2-1-3-5/h2,5H,1,3H2",InChI=1S/C2H4.CO.H2O/c2*1-2;/h1-2H2;;1H2,55.1286,9.69996,
796,[O:1]([C:2]([C:3]([C:4](=[O:5])[H:11])([H:9])[H:10])([H:7])[H:8])[H:6],[C-:4]#[O+:5].[O:1]([C:2]([C:3]([H:7])([H:9])[H:10])([H:8])[H:11])[H:6],"InChI=1S/C3H6O2/c4-2-1-3-5/h2,5H,1,3H2","InChI=1S/C2H6O.CO/c1-2-3;1-2/h3H,2H2,1H3;",95.19833,-3.15695,"1,2_Insertion_CO"
797,[O:1]([C:2]([C:3]([C:4](=[O:5])[H:11])([H:9])[H:10])([H:7])[H:8])[H:6],[O:1]([C:2](/[C:3](=[C:4](/[O:5][H:9])[H:11])[H:10])([H:7])[H:8])[H:6],"InChI=1S/C3H6O2/c4-2-1-3-5/h2,5H,1,3H2","InChI=1S/C3H6O2/c4-2-1-3-5/h1-2,4-5H,3H2/b2-1+",62.72316,5.89398,ketoenol
798,[O:1]([C:2]([C:3]([C:4](=[O:5])[H:11])([H:9])[H:10])([H:7])[H:8])[H:6],[C:3]([C:4](=[O:5])[H:11])([H:7])([H:9])[H:10].[O:1]([C:2][H:8])[H:6],"InChI=1S/C3H6O2/c4-2-1-3-5/h2,5H,1,3H2","InChI=1S/C2H4O.CH2O/c1-2-3;1-2/h2H,1H3;1-2H",63.8963,68.99233000000001,
799,[O:1]([C:2]([C:3]([C:4](=[O:5])[H:11])([H:9])[H:10])([H:7])[H:8])[H:6],[O:1]([C:2]([C:3]([C:4][O:5][H:11])([H:9])[H:10])([H:7])[H:8])[H:6],"InChI=1S/C3H6O2/c4-2-1-3-5/h2,5H,1,3H2","InChI=1S/C3H6O2/c4-2-1-3-5/h4-5H,1-2H2",80.73191,55.09489,
800,[O:1]([C:2]([C:3]([C:4](=[O:5])[H:11])([H:9])[H:10])([H:7])[H:8])[H:6],[C:3](=[C:4]=[O:5])([H:9])[H:10].[H:6][H:11].[O:1]=[C:2]([H:7])[H:8],"InChI=1S/C3H6O2/c4-2-1-3-5/h2,5H,1,3H2",InChI=1S/C2H2O.CH2O.H2/c1-2-3;1-2;/h1H2;1H2;1H,56.99652,38.99745,
801,[O:1]=[C:2]([N:3]([C:4]([C:5]#[C:6][H:11])([H:9])[H:10])[H:8])[H:7],[O:1](/[C:2](=[N:3]/[H:8])[H:7])[C:4]([C:5]#[C:6][H:11])([H:9])[H:10],"InChI=1S/C4H5NO/c1-2-3-5-4-6/h1,4H,3H2,(H,5,6)","InChI=1S/C4H5NO/c1-2-3-6-4-5/h1,4-5H,3H2/b5-4+",55.40663000000001,15.87335,ketoenol
802,[O:1]=[C:2]([N:3]([C:4]([C:5]#[C:6][H:11])([H:9])[H:10])[H:8])[H:7],[O:1](/[C:2](=[N:3]/[C:4]([C:5]#[C:6][H:11])([H:9])[H:10])[H:7])[H:8],"InChI=1S/C4H5NO/c1-2-3-5-4-6/h1,4H,3H2,(H,5,6)","InChI=1S/C4H5NO/c1-2-3-5-4-6/h1,4H,3H2,(H,5,6)",41.722409999999996,9.50409,ketoenol
803,[O:1]=[C:2]([N:3]([C:4]([C:5]#[C:6][H:11])([H:9])[H:10])[H:8])[H:7],[O:1](/[C:2](=[N:3]/[H:8])[H:7])[C:5]1=[C:6]([H:11])[C:4]1([H:9])[H:10],"InChI=1S/C4H5NO/c1-2-3-5-4-6/h1,4H,3H2,(H,5,6)","InChI=1S/C4H5NO/c5-3-6-4-1-2-4/h1,3,5H,2H2/b5-3+",66.7392,31.48038,
804,[O:1]=[C:2]([N:3]([C:4]([C:5]#[C:6][H:11])([H:9])[H:10])[H:8])[H:7],[O:1]=[C:2]([N:3]([C:4]([C:6](=[C:5])[H:11])([H:9])[H:10])[H:8])[H:7],"InChI=1S/C4H5NO/c1-2-3-5-4-6/h1,4H,3H2,(H,5,6)","InChI=1S/C4H5NO/c1-2-3-5-4-6/h2,4H,3H2,(H,5,6)",53.10139,49.537420000000004,Singlet_Carbene_Intra_Disproportionation
805,[O:1]=[C:2]([N:3]([C:4]([C:5]#[C:6][H:11])([H:9])[H:10])[H:8])[H:7],[N:3](=[C:4]([H:9])[H:10])[H:8].[O:1]=[C:2]([C:5]#[C:6][H:11])[H:7],"InChI=1S/C4H5NO/c1-2-3-5-4-6/h1,4H,3H2,(H,5,6)","InChI=1S/C3H2O.CH3N/c1-2-3-4;1-2/h1,3H;2H,1H2",77.18796999999999,35.018359999999994,
806,[O:1]=[C:2]([N:3]([C:4]([C:5]#[C:6][H:11])([H:9])[H:10])[H:8])[H:7],[O+:1](=[C:2]([N:3]([C-:4]([H:9])[H:10])[H:8])[H:7])[C:5]#[C:6][H:11],"InChI=1S/C4H5NO/c1-2-3-5-4-6/h1,4H,3H2,(H,5,6)","InChI=1S/C4H5NO/c1-3-6-4-5-2/h1,4-5H,2H2",81.59143,71.97264,
807,[O:1]=[C:2]([N:3]([C:4]([C:5]#[C:6][H:11])([H:9])[H:10])[H:8])[H:7],[O:1]([C+:2]([N:3]([C-:4]([C:5]#[C:6][H:11])[H:9])[H:8])[H:7])[H:10],"InChI=1S/C4H5NO/c1-2-3-5-4-6/h1,4H,3H2,(H,5,6)","InChI=1S/C4H5NO/c1-2-3-5-4-6/h1,3-6H",43.38268,42.32891,
808,[O:1]=[C:2]([N:3]([C:4]([C:5]#[C:6][H:11])([H:9])[H:10])[H:8])[H:7],[O:1]=[C:2](/[C:6](=[C:5]1\[N:3]([H:8])[C:4]1([H:9])[H:10])[H:11])[H:7],"InChI=1S/C4H5NO/c1-2-3-5-4-6/h1,4H,3H2,(H,5,6)","InChI=1S/C4H5NO/c6-2-1-4-3-5-4/h1-2,5H,3H2/b4-1-",67.17339,7.881189999999999,
809,[O:1]=[C:2]([N:3]([C:4]([C:5]#[C:6][H:11])([H:9])[H:10])[H:8])[H:7],[O:1](/[C:2](=[N:3]/[H:8])[H:7])[C:6](=[C:5]=[C:4]([H:9])[H:10])[H:11],"InChI=1S/C4H5NO/c1-2-3-5-4-6/h1,4H,3H2,(H,5,6)","InChI=1S/C4H5NO/c1-2-3-6-4-5/h3-5H,1H2/b5-4+",40.385040000000004,12.415410000000001,
810,[O:1]=[C:2]([N:3]([C:4]([C:5]#[C:6][H:11])([H:9])[H:10])[H:8])[H:7],[N:3](=[C:4](/[C:5]#[C:6][H:11])[H:9])\[H:8].[O:1]=[C:2]([H:7])[H:10],"InChI=1S/C4H5NO/c1-2-3-5-4-6/h1,4H,3H2,(H,5,6)","InChI=1S/C3H3N.CH2O/c1-2-3-4;1-2/h1,3-4H;1H2/b4-3+;",76.36350999999999,35.71094,
811,[O:1]=[C:2]([N:3]([C:4]([C:5]#[C:6][H:11])([H:9])[H:10])[H:8])[H:7],[O:1]=[C:2]([N:3]([C:6](=[C:5]=[C:4]([H:9])[H:10])[H:11])[H:8])[H:7],"InChI=1S/C4H5NO/c1-2-3-5-4-6/h1,4H,3H2,(H,5,6)","InChI=1S/C4H5NO/c1-2-3-5-4-6/h3-4H,1H2,(H,5,6)",69.90831,-7.13098,
812,[O:1]=[C:2]([N:3]([C:4]([C:5]#[C:6][H:11])([H:9])[H:10])[H:8])[H:7],[O:1]=[C:2]([N:3]([C+:4]([C:5](=[C-:6][H:11])[H:10])[H:9])[H:8])[H:7],"InChI=1S/C4H5NO/c1-2-3-5-4-6/h1,4H,3H2,(H,5,6)","InChI=1S/C4H5NO/c1-2-3-5-4-6/h1-4H,(H,5,6)",56.07058000000001,38.06391,
813,[O:1]=[C:2]([N:3]([C:4]([C:5]#[C:6][H:11])([H:9])[H:10])[H:8])[H:7],[O:1]=[C:2]([N+:3]([C-:4]([C:5]#[C:6][H:11])[H:9])([H:8])[H:10])[H:7],"InChI=1S/C4H5NO/c1-2-3-5-4-6/h1,4H,3H2,(H,5,6)","InChI=1S/C4H5NO/c1-2-3-5-4-6/h1,3-4H,5H2",78.43356,59.704159999999995,
814,[O:1]=[C:2]([N:3]([C:4]([C:5]#[C:6][H:11])([H:9])[H:10])[H:8])[H:7],[O:1]=[C:5]1[C:4]([H:9])([H:10])[N:3]([H:8])[C:2]([H:7])=[C:6]1[H:11],"InChI=1S/C4H5NO/c1-2-3-5-4-6/h1,4H,3H2,(H,5,6)","InChI=1S/C4H5NO/c6-4-1-2-5-3-4/h1-2,5H,3H2",111.03419,-31.159840000000003,
815,[O:1]=[C:2]([N:3]([C:4]([C:5]#[C:6][H:11])([H:9])[H:10])[H:8])[H:7],[O:1]=[C:2]1[N:3]([H:8])[C:4]([H:9])([H:10])[C:5][C:6]1([H:7])[H:11],"InChI=1S/C4H5NO/c1-2-3-5-4-6/h1,4H,3H2,(H,5,6)","InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h2-3H2,(H,5,6)",51.34871,35.229420000000005,
816,[O:1]=[C:2]([N:3]([C:4]([C:5]#[C:6][H:11])([H:9])[H:10])[H:8])[H:7],[O:1]([C@:2]1([H:7])[N:3]([H:8])[C:4]([H:9])([H:10])[C:5]1=[C:6])[H:11],"InChI=1S/C4H5NO/c1-2-3-5-4-6/h1,4H,3H2,(H,5,6)","InChI=1S/C4H5NO/c1-3-2-5-4(3)6/h4-6H,2H2/t4-/m0/s1",89.47836,80.57239,
817,[O:1]=[C:2]([N:3]([C:4]([C:5]#[C:6][H:11])([H:9])[H:10])[H:8])[H:7],[O+:1]1=[C:2]([H:7])[N:3]([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])=[C-:6]1,"InChI=1S/C4H5NO/c1-2-3-5-4-6/h1,4H,3H2,(H,5,6)","InChI=1S/C4H5NO/c1-2-5-4-6-3-1/h1,4-5H,2H2",45.00465,42.25889,
818,[O:1]=[C:2]([N:3]([C:4]([C:5]#[C:6][H:11])([H:9])[H:10])[H:8])[H:7],[O:1]1[C@:2]([C:6](=[C:5]=[C:4]([H:9])[H:10])[H:11])([H:7])[N:3]1[H:8],"InChI=1S/C4H5NO/c1-2-3-5-4-6/h1,4H,3H2,(H,5,6)","InChI=1S/C4H5NO/c1-2-3-4-5-6-4/h3-5H,1H2/t4-/m0/s1",89.34339,57.43342,
819,[O:1]=[C:2]([N:3]([C:4]([C:5]#[C:6][H:11])([H:9])[H:10])[H:8])[H:7],[H:7][H:8].[O:1]=[C:2]=[N:3][C:4]([C:5]#[C:6][H:11])([H:9])[H:10],"InChI=1S/C4H5NO/c1-2-3-5-4-6/h1,4H,3H2,(H,5,6)","InChI=1S/C4H3NO.H2/c1-2-3-5-4-6;/h1H,3H2;1H",71.41554000000001,17.88813,
820,[O:1]=[C:2]([N:3]([C:4]([C:5]#[C:6][H:11])([H:9])[H:10])[H:8])[H:7],[C:4](=[C:5]=[C:6]([H:7])[H:11])([H:9])[H:10].[O:1]=[C:2]=[N:3][H:8],"InChI=1S/C4H5NO/c1-2-3-5-4-6/h1,4H,3H2,(H,5,6)",InChI=1S/C3H4.CHNO/c1-3-2;2-1-3/h1-2H2;2H,44.25649,-6.832789999999999,Retroene
821,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@@:4]2([H:11])[C:5]([H:12])([H:13])[C@@:6]12[H:14])[H:7],[O:1]([C:2][C@@:6]1([H:14])[C@:4]([C:3]([H:8])([H:9])[H:10])([H:11])[C:5]1([H:12])[H:13])[H:7],"InChI=1S/C5H8O/c6-5-2-3-1-4(3)5/h3-6H,1-2H2/t3-,4-,5+/m1/s1","InChI=1S/C5H8O/c1-4-2-5(4)3-6/h4-6H,2H2,1H3/t4-,5-/m0/s1",53.13956999999999,37.109190000000005,
822,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@@:4]2([H:11])[C:5]([H:12])([H:13])[C@@:6]12[H:14])[H:7],[O:1]([C@:2]1([H:8])[C:3]([H:9])([H:10])[C@@:4]([C:5][H:12])([H:11])[C:6]1([H:13])[H:14])[H:7],"InChI=1S/C5H8O/c6-5-2-3-1-4(3)5/h3-6H,1-2H2/t3-,4-,5+/m1/s1","InChI=1S/C5H8O/c1-4-2-5(6)3-4/h1,4-6H,2-3H2/t4-,5+",65.82476,69.38555,
823,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@@:4]2([H:11])[C:5]([H:12])([H:13])[C@@:6]12[H:14])[H:7],[C:2]1([H:8])=[C:6]2[C@@:4]([H:11])([C:3]1([H:9])[H:10])[C:5]2([H:12])[H:13].[O:1]([H:7])[H:14],"InChI=1S/C5H8O/c6-5-2-3-1-4(3)5/h3-6H,1-2H2/t3-,4-,5+/m1/s1","InChI=1S/C5H6.H2O/c1-2-5-3-4(1)5;/h1,5H,2-3H2;1H2/t5-;/m0./s1",69.94354,60.3937,"1,3_Insertion_ROR"
824,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@@:4]2([H:11])[C:5]([H:12])([H:13])[C@@:6]12[H:14])[H:7],[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4][C@:6]1([C:5]([H:11])([H:12])[H:13])[H:14])[H:7],"InChI=1S/C5H8O/c6-5-2-3-1-4(3)5/h3-6H,1-2H2/t3-,4-,5+/m1/s1","InChI=1S/C5H8O/c1-4-2-3-5(4)6/h4-6H,3H2,1H3/t4-,5+/m1/s1",65.58319,67.47024,
825,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@@:4]2([H:11])[C:5]([H:12])([H:13])[C@@:6]12[H:14])[H:7],[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4][C:5]([H:12])([H:13])[C:6]1([H:11])[H:14])[H:7],"InChI=1S/C5H8O/c6-5-2-3-1-4(3)5/h3-6H,1-2H2/t3-,4-,5+/m1/s1","InChI=1S/C5H8O/c6-5-3-1-2-4-5/h5-6H,1,3-4H2/t5-/m1/s1",59.64365,45.69875,
826,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@@:4]2([H:11])[C:5]([H:12])([H:13])[C@@:6]12[H:14])[H:7],[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:14])[C:5]([H:12])([H:13])[C:6]1)[H:7],"InChI=1S/C5H8O/c6-5-2-3-1-4(3)5/h3-6H,1-2H2/t3-,4-,5+/m1/s1","InChI=1S/C5H8O/c6-5-3-1-2-4-5/h5-6H,1-3H2/t5-/m0/s1",63.671380000000006,49.52991,
827,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@@:4]2([H:11])[C:5]([H:12])([H:13])[C@@:6]12[H:14])[H:7],[O:1]([C:2]([C@@:6]1([H:14])[C@:4]([C:3][H:10])([H:11])[C:5]1([H:12])[H:13])([H:8])[H:9])[H:7],"InChI=1S/C5H8O/c6-5-2-3-1-4(3)5/h3-6H,1-2H2/t3-,4-,5+/m1/s1","InChI=1S/C5H8O/c1-4-2-5(4)3-6/h1,4-6H,2-3H2/t4-,5-/m0/s1",71.81896,68.10446,
828,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@@:4]2([H:11])[C:5]([H:12])([H:13])[C@@:6]12[H:14])[H:7],[O:1]=[C:2]([C@@:6]1([H:14])[C@:4]([C:3]([H:7])([H:9])[H:10])([H:11])[C:5]1([H:12])[H:13])[H:8],"InChI=1S/C5H8O/c6-5-2-3-1-4(3)5/h3-6H,1-2H2/t3-,4-,5+/m1/s1","InChI=1S/C5H8O/c1-4-2-5(4)3-6/h3-5H,2H2,1H3/t4-,5-/m0/s1",64.72907,-20.16415,
829,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@@:4]2([H:11])[C:5]([H:12])([H:13])[C@@:6]12[H:14])[H:7],[O:1]=[C:2]([C:3]([C:4]1([H:11])[C:5]([H:12])([H:13])[C:6]1([H:7])[H:14])([H:9])[H:10])[H:8],"InChI=1S/C5H8O/c6-5-2-3-1-4(3)5/h3-6H,1-2H2/t3-,4-,5+/m1/s1","InChI=1S/C5H8O/c6-4-3-5-1-2-5/h4-5H,1-3H2",59.4595,-14.066679999999998,
830,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@@:4]2([H:11])[C:5]([H:12])([H:13])[C@@:6]12[H:14])[H:7],[O:1]([C@@:2]([C:3]([C:4][H:11])([H:9])[H:10])([C:6](=[C:5]([H:12])[H:13])[H:14])[H:8])[H:7],"InChI=1S/C5H8O/c6-5-2-3-1-4(3)5/h3-6H,1-2H2/t3-,4-,5+/m1/s1","InChI=1S/C5H8O/c1-3-5(6)4-2/h1,4-6H,2-3H2/t5-/m0/s1",71.31971,72.59435,
831,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@@:4]2([H:11])[C:5]([H:12])([H:13])[C@@:6]12[H:14])[H:7],[C:2]1([H:8])=[C:6]([H:14])[C:5]([H:13])=[C:4]([H:11])[C:3]1([H:9])[H:10].[O:1]([H:7])[H:12],"InChI=1S/C5H8O/c6-5-2-3-1-4(3)5/h3-6H,1-2H2/t3-,4-,5+/m1/s1","InChI=1S/C5H6.H2O/c1-2-4-5-3-1;/h1-4H,5H2;1H2",71.90056,-19.20838,
832,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@@:4]2([H:11])[C:5]([H:12])([H:13])[C@@:6]12[H:14])[H:7],[C:2]1([H:8])=[C:3]([H:10])[C@:4]2([H:11])[C:5]([H:12])([H:13])[C@:6]12[H:14].[O:1]([H:7])[H:9],"InChI=1S/C5H8O/c6-5-2-3-1-4(3)5/h3-6H,1-2H2/t3-,4-,5+/m1/s1","InChI=1S/C5H6.H2O/c1-2-5-3-4(1)5;/h1-2,4-5H,3H2;1H2/t4-,5+;",71.83463,28.061459999999997,"1,3_Insertion_ROR"
833,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@@:4]2([H:11])[C:5]([H:12])([H:13])[C@@:6]12[H:14])[H:7],[H:7][H:12].[O:1]=[C:2]([C:3]([C:4]1([H:11])[C:5]([H:13])=[C:6]1[H:14])([H:9])[H:10])[H:8],"InChI=1S/C5H8O/c6-5-2-3-1-4(3)5/h3-6H,1-2H2/t3-,4-,5+/m1/s1","InChI=1S/C5H6O.H2/c6-4-3-5-1-2-5;/h1-2,4-5H,3H2;1H",64.62682,40.50597,
834,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@@:4]2([H:11])[C:5]([H:12])([H:13])[C@@:6]12[H:14])[H:7],[H:7][H:8].[O:1]=[C:2]1[C:3]([H:9])([H:10])[C@@:4]2([H:11])[C:5]([H:12])([H:13])[C@@:6]12[H:14],"InChI=1S/C5H8O/c6-5-2-3-1-4(3)5/h3-6H,1-2H2/t3-,4-,5+/m1/s1","InChI=1S/C5H6O.H2/c6-5-2-3-1-4(3)5;/h3-4H,1-2H2;1H/t3-,4-;/m1./s1",77.74774000000001,11.860380000000001,
835,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@@:4]2([H:11])[C:5]([H:12])([H:13])[C@@:6]12[H:14])[H:7],[O:1]([C:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])=[C:5]([H:13])[C:6]1([H:12])[H:14])[H:7],"InChI=1S/C5H8O/c6-5-2-3-1-4(3)5/h3-6H,1-2H2/t3-,4-,5+/m1/s1","InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1-2,5-6H,3-4H2",64.3057,-27.08062,
836,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@@:4]2([H:11])[C:5]([H:12])([H:13])[C@@:6]12[H:14])[H:7],[O:1](/[C:2](=[C:6](/[C:5]([C:4](=[C:3]([H:9])[H:10])[H:11])([H:12])[H:13])[H:14])[H:8])[H:7],"InChI=1S/C5H8O/c6-5-2-3-1-4(3)5/h3-6H,1-2H2/t3-,4-,5+/m1/s1","InChI=1S/C5H8O/c1-2-3-4-5-6/h2,4-6H,1,3H2/b5-4+",36.53521,-15.11367,
837,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@@:4]2([H:11])[C:5]([H:12])([H:13])[C@@:6]12[H:14])[H:7],[O:1]([C:2]([C:3]([C:4](=[C:5]([H:12])[H:13])[H:11])([H:9])[H:10])=[C:6]([H:8])[H:14])[H:7],"InChI=1S/C5H8O/c6-5-2-3-1-4(3)5/h3-6H,1-2H2/t3-,4-,5+/m1/s1","InChI=1S/C5H8O/c1-3-4-5(2)6/h3,6H,1-2,4H2",84.40531,-18.10481,
838,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@@:4]2([H:11])[C:5]([H:12])([H:13])[C@@:6]12[H:14])[H:7],[O:1]([C:3]([C@@:2]1([H:8])[C@@:4]2([H:11])[C:5]([H:12])([H:13])[C@@:6]12[H:14])([H:9])[H:10])[H:7],"InChI=1S/C5H8O/c6-5-2-3-1-4(3)5/h3-6H,1-2H2/t3-,4-,5+/m1/s1","InChI=1S/C5H8O/c6-2-5-3-1-4(3)5/h3-6H,1-2H2/t3-,4+,5-",83.73428,13.259079999999999,
839,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@@:4]2([H:11])[C:5]([H:12])([H:13])[C@@:6]12[H:14])[H:7],[O:1]([C@@:2]([C:3]([H:9])([H:10])[H:11])([C@@:6]1([H:14])[C:4][C:5]1([H:12])[H:13])[H:8])[H:7],"InChI=1S/C5H8O/c6-5-2-3-1-4(3)5/h3-6H,1-2H2/t3-,4-,5+/m1/s1","InChI=1S/C5H8O/c1-4(6)5-2-3-5/h4-6H,2H2,1H3/t4-,5+/m0/s1",68.21311,67.80143000000001,
840,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@@:4]2([H:11])[C:5]([H:12])([H:13])[C@@:6]12[H:14])[H:7],[O:1]([C:2][C:3]([C:4]1([H:11])[C:5]([H:12])([H:13])[C:6]1([H:8])[H:14])([H:9])[H:10])[H:7],"InChI=1S/C5H8O/c6-5-2-3-1-4(3)5/h3-6H,1-2H2/t3-,4-,5+/m1/s1","InChI=1S/C5H8O/c6-4-3-5-1-2-5/h5-6H,1-3H2",61.32289,41.4302,
841,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@@:4]2([H:11])[C:5]([H:12])([H:13])[C@@:6]12[H:14])[H:7],[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@:6]1([C:5]([C:4][H:11])([H:12])[H:13])[H:14])[H:7],"InChI=1S/C5H8O/c6-5-2-3-1-4(3)5/h3-6H,1-2H2/t3-,4-,5+/m1/s1","InChI=1S/C5H8O/c1-2-4-3-5(4)6/h1,4-6H,2-3H2/t4-,5+/m1/s1",74.41127,79.4425,
842,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@@:4]2([H:11])[C:5]([H:12])([H:13])[C@@:6]12[H:14])[H:7],[O:1]([C:2]([C:3](=[C:4]([H:10])[H:11])[H:9])([C:6](=[C:5]([H:12])[H:13])[H:14])[H:8])[H:7],"InChI=1S/C5H8O/c6-5-2-3-1-4(3)5/h3-6H,1-2H2/t3-,4-,5+/m1/s1","InChI=1S/C5H8O/c1-3-5(6)4-2/h3-6H,1-2H2",87.01503000000001,-10.148539999999999,
843,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@@:4]2([H:11])[C:5]([H:12])([H:13])[C@@:6]12[H:14])[H:7],[C:2]1[C:3]([H:9])([H:10])[C@@:4]2([H:11])[C:5]([H:12])([H:13])[C@@:6]12[H:14].[O:1]([H:7])[H:8],"InChI=1S/C5H8O/c6-5-2-3-1-4(3)5/h3-6H,1-2H2/t3-,4-,5+/m1/s1","InChI=1S/C5H6.H2O/c1-2-5-3-4(1)5;/h4-5H,1,3H2;1H2/t4-,5+;/m0./s1",66.58294000000001,69.2709,
844,[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([C:4]([H:13])([H:14])[H:15])[C:5]#[C:6][H:16])([H:7])([H:8])[H:9],[C:1]([C:2]([C:4]([H:13])([H:14])[H:15])=[C:5]=[C:6]([C:3]([H:10])([H:11])[H:12])[H:16])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-5-6(2,3)4/h1H,2-4H3","InChI=1S/C6H10/c1-4-5-6(2)3/h4H,1-3H3",72.50692,-8.78088,
845,[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([C:4]([H:13])([H:14])[H:15])[C:5]#[C:6][H:16])([H:7])([H:8])[H:9],[C:1]1([H:8])([H:9])[C:2]([C:3]([H:10])([H:11])[H:12])([C:4]([H:13])([H:14])[H:15])[C:5]1=[C:6]([H:7])[H:16],"InChI=1S/C6H10/c1-5-6(2,3)4/h1H,2-4H3","InChI=1S/C6H10/c1-5-4-6(5,2)3/h1,4H2,2-3H3",81.89227,-0.35302,
846,[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([C:4]([H:13])([H:14])[H:15])[C:5]#[C:6][H:16])([H:7])([H:8])[H:9],[C:1]([C:2]1([C:3]([H:10])([H:11])[H:12])[C:4]([H:13])([H:15])[C@@:5]1([C:6][H:16])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-5-6(2,3)4/h1H,2-4H3","InChI=1S/C6H10/c1-5-4-6(5,2)3/h1,5H,4H2,2-3H3/t5-/m0/s1",85.07389,62.87409,
847,[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([C:4]([H:13])([H:14])[H:15])[C:5]#[C:6][H:16])([H:7])([H:8])[H:9],[C-:2]([C:3]([H:10])([H:11])[H:12])=[C:5]=[C+:6][H:16].[C:1]([C:4]([H:13])([H:14])[H:15])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-5-6(2,3)4/h1H,2-4H3","InChI=1S/C4H4.C2H6/c1-3-4-2;1-2/h1H,2H3;1-2H3",123.88577,78.69878,
848,[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([C:4]([H:13])([H:14])[H:15])[C:5]#[C:6][H:16])([H:7])([H:8])[H:9],[C:1]([C:2]1([C:4]([H:13])([H:14])[H:15])[C:3]([H:11])([H:12])[C:6]([H:10])([H:16])[C:5]1)([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-5-6(2,3)4/h1H,2-4H3","InChI=1S/C6H10/c1-6(2)4-3-5-6/h3-4H2,1-2H3",91.82375,67.64835,
849,[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([C:4]([H:13])([H:14])[H:15])[C:5]#[C:6][H:16])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([C:4]([H:13])([H:14])[H:15])[C:6](=[C:5])[H:16])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-5-6(2,3)4/h1H,2-4H3","InChI=1S/C6H10/c1-5-6(2,3)4/h5H,2-4H3",60.90361,51.15879,Singlet_Carbene_Intra_Disproportionation
850,[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([C:4]([H:13])([H:14])[H:15])[C:5]#[C:6][H:16])([H:7])([H:8])[H:9],[C:1]([C+:2]([C:3]([H:10])([H:11])[H:12])[C:5]([C:4]([H:13])([H:14])[H:15])=[C-:6][H:16])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-5-6(2,3)4/h1H,2-4H3","InChI=1S/C6H10/c1-5(2)6(3)4/h1H,2-4H3",72.656,52.28054,
851,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4](=[O:5])[C:6]([H:14])([H:15])[H:16])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]([H:12])[H:13])[H:10])([H:7])([H:8])[H:9].[C:4](=[O:5])([C:6]([H:14])([H:15])[H:16])[H:11],"InChI=1S/C5H10O/c1-4(2)5(3)6/h4H,1-3H3","InChI=1S/C3H6.C2H4O/c1-3-2;1-2-3/h3H,1H2,2H3;2H,1H3",74.02204,27.18665,
852,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4](=[O:5])[C:6]([H:14])([H:15])[H:16])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[C@@:4]([C:6]([H:14])([H:15])[H:16])([H:10])[O:5]1)([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-4(2)5(3)6/h4H,1-3H3","InChI=1S/C5H10O/c1-4-5(2,3)6-4/h4H,1-3H3/t4-/m0/s1",71.30173,22.02135,
853,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4](=[O:5])[C:6]([H:14])([H:15])[H:16])[H:10])([H:7])([H:8])[H:9],[C-:1]([O+:5]=[C:4]([C:2]([C:3]([H:11])([H:12])[H:13])([H:9])[H:10])[C:6]([H:14])([H:15])[H:16])([H:7])[H:8],"InChI=1S/C5H10O/c1-4(2)5(3)6/h4H,1-3H3","InChI=1S/C5H10O/c1-4-5(2)6-3/h3-4H2,1-2H3",101.63877,65.78324,
854,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4](=[O:5])[C:6]([H:14])([H:15])[H:16])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])=[C:4]([O:5][H:10])[C:6]([H:14])([H:15])[H:16])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-4(2)5(3)6/h4H,1-3H3","InChI=1S/C5H10O/c1-4(2)5(3)6/h6H,1-3H3",64.00968,7.64767,ketoenol
855,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4](=[O:5])[C:6]([H:14])([H:15])[H:16])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([O+:5]=[C-:4][C:6]([H:14])([H:15])[H:16])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-4(2)5(3)6/h4H,1-3H3","InChI=1S/C5H10O/c1-4-6-5(2)3/h5H,1-3H3",105.76778999999999,63.18385,
856,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4](=[O:5])[C:6]([H:14])([H:15])[H:16])[H:10])([H:7])([H:8])[H:9],[C:1]([O:5]/[C:4](=[C:2](/[C:3]([H:11])([H:12])[H:13])[H:10])[C:6]([H:14])([H:15])[H:16])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-4(2)5(3)6/h4H,1-3H3","InChI=1S/C5H10O/c1-4-5(2)6-3/h4H,1-3H3/b5-4+",81.23747,20.49308,ketoenol
857,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4](=[O:5])[C:6]([H:14])([H:15])[H:16])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])=[C:4]=[O:5])([H:7])([H:8])[H:9].[C:6]([H:10])([H:14])([H:15])[H:16],"InChI=1S/C5H10O/c1-4(2)5(3)6/h4H,1-3H3",InChI=1S/C4H6O.CH4/c1-4(2)3-5;/h1-2H3;1H4,77.59998,19.22717,
858,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4](=[O:5])[C:6]([H:14])([H:15])[H:16])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4]([O:5][H:16])=[C:6]([H:14])[H:15])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-4(2)5(3)6/h4H,1-3H3","InChI=1S/C5H10O/c1-4(2)5(3)6/h4,6H,3H2,1-2H3",62.33671999999999,9.03951,ketoenol
859,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4](=[O:5])[C:6]([H:14])([H:15])[H:16])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C-:4]=[O+:5][C:6]([H:14])([H:15])[H:16])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-4(2)5(3)6/h4H,1-3H3","InChI=1S/C5H10O/c1-5(2)4-6-3/h5H,1-3H3",110.01899999999999,70.42199000000001,
860,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4](=[O:5])[C:6]([H:14])([H:15])[H:16])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([H:10])[H:16])([H:7])([H:8])[H:9].[C:4](=[O:5])=[C:6]([H:14])[H:15],"InChI=1S/C5H10O/c1-4(2)5(3)6/h4H,1-3H3","InChI=1S/C3H8.C2H2O/c1-3-2;1-2-3/h3H2,1-2H3;1H2",80.06186,22.26732,
861,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4](=[O:5])[C:6]([H:14])([H:15])[H:16])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:4]=[O:5])[H:10])([H:7])([H:8])[H:9].[C:3]([C:6]([H:14])([H:15])[H:16])([H:11])([H:12])[H:13],"InChI=1S/C5H10O/c1-4(2)5(3)6/h4H,1-3H3","InChI=1S/C3H4O.C2H6/c1-2-3-4;1-2/h2H,1H3;1-2H3",98.32123,22.80823,
862,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4](=[O:5])[C:6]([H:14])([H:15])[H:16])[H:10])([H:7])([H:8])[H:9],[C:1]([C+:2]=[C:4]([O-:5])[C:6]([H:14])([H:15])[H:16])([H:7])([H:8])[H:9].[C:3]([H:10])([H:11])([H:12])[H:13],"InChI=1S/C5H10O/c1-4(2)5(3)6/h4H,1-3H3",InChI=1S/C4H6O.CH4/c1-3-4(2)5;/h1-2H3;1H4,76.05886,77.64413,
863,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4](=[O:5])[C:6]([H:14])([H:15])[H:16])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4](=[O:5])[H:10])[C:6]([H:14])([H:15])[H:16])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-4(2)5(3)6/h4H,1-3H3","InChI=1S/C5H10O/c1-5(2,3)4-6/h4H,1-3H3",66.34966,4.45025,
864,[C:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5]([H:12])[c:6]1[H:13])([H:7])([H:8])[H:9],[C:1]([C:2]1=[C-:3][N+:4]([H:10])([H:11])[C:5]([H:12])=[C:6]1[H:13])([H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-5-2-3-6-4-5/h2-4,6H,1H3","InChI=1S/C5H7N/c1-5-2-3-6-4-5/h2-3H,6H2,1H3",84.94154,77.72501,
865,[C:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5]([H:12])[c:6]1[H:13])([H:7])([H:8])[H:9],[C:1](=[C:2]1[C+:3]([H:10])[N:4]([H:11])[C:5]([H:7])([H:12])[C-:6]1[H:13])([H:8])[H:9],"InChI=1S/C5H7N/c1-5-2-3-6-4-5/h2-4,6H,1H3","InChI=1S/C5H7N/c1-5-2-3-6-4-5/h2,4,6H,1,3H2",115.4708,66.87288000000001,
866,[C:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5]([H:12])[c:6]1[H:13])([H:7])([H:8])[H:9],[C+:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c-:5][c:6]1[H:13])([H:8])[H:9].[H:7][H:12],"InChI=1S/C5H7N/c1-5-2-3-6-4-5/h2-4,6H,1H3","InChI=1S/C5H5N.H2/c1-5-2-3-6-4-5;/h2,4,6H,1H2;1H",137.32216,98.33323,
867,[C:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5]([H:12])[c:6]1[H:13])([H:7])([H:8])[H:9],[C:1]([C@:2]1([H:13])[C+:3]([H:10])[N:4]([H:11])[C:5]([H:12])=[C-:6]1)([H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-5-2-3-6-4-5/h2-4,6H,1H3","InChI=1S/C5H7N/c1-5-2-3-6-4-5/h3-6H,1H3/t5-/m0/s1",79.36527,81.22903000000001,
868,[C:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5]([H:12])[c:6]1[H:13])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3][N:4]([H:11])[C:5]([H:12])=[C:6]1[H:13])([H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-5-2-3-6-4-5/h2-4,6H,1H3","InChI=1S/C5H7N/c1-5-2-3-6-4-5/h2-3,5-6H,1H3/t5-/m1/s1",61.9084,58.55836,Singlet_Carbene_Intra_Disproportionation
869,[C:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5]([H:12])[c:6]1[H:13])([H:7])([H:8])[H:9],[C:1](=[C:2]1[C-:3]([H:10])[N+:4]([H:7])([H:11])[C:5]([H:12])=[C:6]1[H:13])([H:8])[H:9],"InChI=1S/C5H7N/c1-5-2-3-6-4-5/h2-4,6H,1H3","InChI=1S/C5H7N/c1-5-2-3-6-4-5/h2-4H,1,6H2",111.07535,78.49181999999999,
870,[C:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5]([H:12])[c:6]1[H:13])([H:7])([H:8])[H:9],[C:1]([C:2]1(/[C:3](=[N:4]/[H:11])[H:10])[C:5]([H:12])=[C:6]1[H:13])([H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-5-2-3-6-4-5/h2-4,6H,1H3","InChI=1S/C5H7N/c1-5(4-6)2-3-5/h2-4,6H,1H3/b6-4+",90.28186,62.38737,
871,[C:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5]([H:12])[c:6]1[H:13])([H:7])([H:8])[H:9],[C:1]([C:2]1=[C:6]([H:13])[C:5]([H:11])([H:12])[N:4]=[C:3]1[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-5-2-3-6-4-5/h2-4,6H,1H3","InChI=1S/C5H7N/c1-5-2-3-6-4-5/h2,4H,3H2,1H3",42.47352,13.05635,
872,[C:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5]([H:12])[c:6]1[H:13])([H:7])([H:8])[H:9],[C:1]([C:2]1=[C-:6][C:5]([H:12])([H:13])[N:4]([H:11])[C+:3]1[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-5-2-3-6-4-5/h2-4,6H,1H3","InChI=1S/C5H7N/c1-5-2-3-6-4-5/h4,6H,3H2,1H3",71.51899,67.91779,Singlet_Carbene_Intra_Disproportionation
873,[C:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5]([H:12])[c:6]1[H:13])([H:7])([H:8])[H:9],[C:1]([C+:2]1[C:3]([H:10])([H:12])[N:4]([H:11])[C-:5]=[C:6]1[H:13])([H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-5-2-3-6-4-5/h2-4,6H,1H3","InChI=1S/C5H7N/c1-5-2-3-6-4-5/h2,6H,4H2,1H3",121.26456999999999,54.1411,
874,[C:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5]([H:12])[c:6]1[H:13])([H:7])([H:8])[H:9],[C:1]([C:2]1=[C:3]([H:10])[N:4]([H:11])[C:5][C:6]1([H:12])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-5-2-3-6-4-5/h2-4,6H,1H3","InChI=1S/C5H7N/c1-5-2-3-6-4-5/h4,6H,2H2,1H3",61.83351,54.95619,Singlet_Carbene_Intra_Disproportionation
875,[C:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5]([H:12])[c:6]1[H:13])([H:7])([H:8])[H:9],[C:1]([C:2](/[C:3](=[N:4]/[H:11])[H:10])=[C:6]=[C:5]([H:12])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-5-2-3-6-4-5/h2-4,6H,1H3","InChI=1S/C5H7N/c1-3-5(2)4-6/h4,6H,1H2,2H3/b6-4+",98.75984,39.10696,
876,[C:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5]([H:12])[c:6]1[H:13])([H:7])([H:8])[H:9],[C:1]([C@:3]1([H:10])[C-:2]=[C:6]([H:13])[C+:5]([H:12])[N:4]1[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-5-2-3-6-4-5/h2-4,6H,1H3","InChI=1S/C5H7N/c1-5-3-2-4-6-5/h2,4-6H,1H3/t5-/m1/s1",85.06175,68.46191,
877,[C:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5]([H:12])[c:6]1[H:13])([H:7])([H:8])[H:9],[C:1](=[C:2]1[C:3]([H:7])([H:10])[N:4]([H:11])[C:5]([H:12])=[C:6]1[H:13])([H:8])[H:9],"InChI=1S/C5H7N/c1-5-2-3-6-4-5/h2-4,6H,1H3","InChI=1S/C5H7N/c1-5-2-3-6-4-5/h2-3,6H,1,4H2",85.52726,20.553810000000002,
878,[C:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5]([H:12])[c:6]1[H:13])([H:7])([H:8])[H:9],[C:1]([C:2]1=[C:6]([H:13])[C:5]([H:12])=[N:4][C:3]1([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-5-2-3-6-4-5/h2-4,6H,1H3","InChI=1S/C5H7N/c1-5-2-3-6-4-5/h2-3H,4H2,1H3",42.71577,12.47195,
879,[C:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5]([H:12])[c:6]1[H:13])([H:7])([H:8])[H:9],[C:1]([C:3](=[C:2]=[C:6](/[C:5](=[N:4]/[H:11])[H:12])[H:13])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-5-2-3-6-4-5/h2-4,6H,1H3","InChI=1S/C5H7N/c1-2-3-4-5-6/h2,4-6H,1H3/b6-5+",101.37674,39.25544,
880,[C:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5]([H:12])[c:6]1[H:13])([H:7])([H:8])[H:9],[C:1]([C:2]1=[C:3]([H:10])[N+:4]([H:11])([H:12])[C-:5]=[C:6]1[H:13])([H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-5-2-3-6-4-5/h2-4,6H,1H3","InChI=1S/C5H7N/c1-5-2-3-6-4-5/h2,4H,6H2,1H3",84.06271,75.99074,
881,[C:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5]([H:12])[c:6]1[H:13])([H:7])([H:8])[H:9],[C+:1]([C:2]1=[C:3]([H:10])[N:4]([H:11])[C-:5]([H:12])[C:6]1([H:7])[H:13])([H:8])[H:9],"InChI=1S/C5H7N/c1-5-2-3-6-4-5/h2-4,6H,1H3","InChI=1S/C5H7N/c1-5-2-3-6-4-5/h3-4,6H,1-2H2",96.80515,50.76405,
882,[C:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5]([H:12])[c:6]1[H:13])([H:7])([H:8])[H:9],[C:1]([C:2]1=[C:3]([H:10])[C@:6]1(/[C:5](=[N:4]/[H:11])[H:12])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-5-2-3-6-4-5/h2-4,6H,1H3","InChI=1S/C5H7N/c1-4-2-5(4)3-6/h2-3,5-6H,1H3/b6-3+/t5-/m0/s1",89.24791,57.14467,
883,[C:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5]([H:12])[c:6]1[H:13])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3])/[C:6](=[C:5](\[N:4]([H:10])[H:11])[H:12])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-5-2-3-6-4-5/h2-4,6H,1H3","InChI=1S/C5H7N/c1-5(2)3-4-6/h3-4H,6H2,1H3/b4-3-",91.40982,90.00693000000001,
884,[C:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5]([H:12])[c:6]1[H:13])([H:7])([H:8])[H:9],[C:1]([C:6](=[C:2]=[C:3]([N:4]([C:5][H:12])[H:11])[H:10])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-5-2-3-6-4-5/h2-4,6H,1H3","InChI=1S/C5H7N/c1-3-4-5-6-2/h2-3,5-6H,1H3",151.7779,93.66913000000001,
885,[C:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5]([H:12])[c:6]1[H:13])([H:7])([H:8])[H:9],[C:1](=[C:2]1[C+:3]([H:10])[N:4]([H:11])[C:5]([H:12])=[C-:6]1)([H:8])[H:9].[H:7][H:13],"InChI=1S/C5H7N/c1-5-2-3-6-4-5/h2-4,6H,1H3","InChI=1S/C5H5N.H2/c1-5-2-3-6-4-5;/h3-4,6H,1H2;1H",107.14993,104.96987,
886,[C:1]([O:2][C:3]([C:4]([H:10])([H:11])[H:12])([C:5]([H:13])([H:14])[H:15])[C:6]([H:16])([H:17])[H:18])([H:7])([H:8])[H:9],[C:1]([O+:2]=[C-:3][C:6]([H:16])([H:17])[H:18])([H:7])([H:8])[H:9].[C:4]([C:5]([H:13])([H:14])[H:15])([H:10])([H:11])[H:12],"InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3",InChI=1S/C3H6O.C2H6/c1-3-4-2;1-2/h1-2H3;1-2H3,124.12445,62.94181999999999,
887,[C:1]([O:2][C:3]([C:4]([H:10])([H:11])[H:12])([C:5]([H:13])([H:14])[H:15])[C:6]([H:16])([H:17])[H:18])([H:7])([H:8])[H:9],[C-:1]([O+:2]=[C:3]([C:5]([H:13])([H:14])[H:15])[C:6]([H:16])([H:17])[H:18])([H:8])[H:9].[C:4]([H:7])([H:10])([H:11])[H:12],"InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3","InChI=1S/C4H8O.CH4/c1-4(2)5-3;/h3H2,1-2H3;1H4",71.12812,54.68354,
888,[C:1]([O:2][C:3]([C:4]([H:10])([H:11])[H:12])([C:5]([H:13])([H:14])[H:15])[C:6]([H:16])([H:17])[H:18])([H:7])([H:8])[H:9],[C:1]([C:4]([C:3]([O:2][H:7])([C:5]([H:13])([H:14])[H:15])[C:6]([H:16])([H:17])[H:18])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3","InChI=1S/C5H12O/c1-4-5(2,3)6/h6H,4H2,1-3H3",91.66322,-11.95095,
889,[C:1]([N:2]1[C:3]([H:10])([H:11])[C:4](=[O:5])[C:6]1([H:12])[H:13])([H:7])([H:8])[H:9],[C:1]([N+:2]1([H:10])[C:3]([H:11])=[C:4]([O-:5])[C:6]1([H:12])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-5-2-4(6)3-5/h2-3H2,1H3","InChI=1S/C4H7NO/c1-5-2-4(6)3-5/h2,6H,3H2,1H3",56.34265,24.36925,
890,[C:1]([N:2]1[C:3]([H:10])([H:11])[C:4](=[O:5])[C:6]1([H:12])[H:13])([H:7])([H:8])[H:9],[C:1]([N:2]=[C:6]([H:12])[H:13])([H:7])([H:8])[H:9].[C:3](=[C:4]=[O:5])([H:10])[H:11],"InChI=1S/C4H7NO/c1-5-2-4(6)3-5/h2-3H2,1H3","InChI=1S/C2H5N.C2H2O/c1-3-2;1-2-3/h1H2,2H3;1H2",38.540209999999995,7.33444,
891,[C:1]([N:2]1[C:3]([H:10])([H:11])[C:4](=[O:5])[C:6]1([H:12])[H:13])([H:7])([H:8])[H:9],[C:1]([N+:2]12[C:3]([H:10])([H:11])[C-:4]([O:5]1)[C:6]2([H:12])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-5-2-4(6)3-5/h2-3H2,1H3","InChI=1S/C4H7NO/c1-5-2-4(3-5)6-5/h2-3H2,1H3",131.86064,133.10308,
892,[C:1]([N:2]1[C:3]([H:10])([H:11])[C:4](=[O:5])[C:6]1([H:12])[H:13])([H:7])([H:8])[H:9],[C:1]([O:5][C:4]12[N:2]([C:3]1([H:10])[H:11])[C:6]2([H:12])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-5-2-4(6)3-5/h2-3H2,1H3","InChI=1S/C4H7NO/c1-6-4-2-5(4)3-4/h2-3H2,1H3",98.50653,35.62275,
893,[C:1]([N:2]1[C:3]([H:10])([H:11])[C:4](=[O:5])[C:6]1([H:12])[H:13])([H:7])([H:8])[H:9],[C:1]1([H:7])([H:9])[N:2]([H:8])[C:3]([H:10])([H:11])[C:4](=[O:5])[C:6]1([H:12])[H:13],"InChI=1S/C4H7NO/c1-5-2-4(6)3-5/h2-3H2,1H3","InChI=1S/C4H7NO/c6-4-1-2-5-3-4/h5H,1-3H2",79.98607,-22.2073,
894,[C:1]([N:2]1[C:3]([H:10])([H:11])[C:4](=[O:5])[C:6]1([H:12])[H:13])([H:7])([H:8])[H:9],[C-:1]([N+:2]([C:3]([C:4](=[O:5])[H:8])([H:10])[H:11])=[C:6]([H:12])[H:13])([H:7])[H:9],"InChI=1S/C4H7NO/c1-5-2-4(6)3-5/h2-3H2,1H3","InChI=1S/C4H7NO/c1-5(2)3-4-6/h4H,1-3H2",47.61193,26.941190000000002,
895,[C:1]([N:2]1[C:3]([H:10])([H:11])[C:4](=[O:5])[C:6]1([H:12])[H:13])([H:7])([H:8])[H:9],[C:1]([N+:2]1=[C:6]([H:12])[C:4]([O-:5])=[C:3]1[H:11])([H:7])([H:8])[H:9].[H:10][H:13],"InChI=1S/C4H7NO/c1-5-2-4(6)3-5/h2-3H2,1H3","InChI=1S/C4H5NO.H2/c1-5-2-4(6)3-5;/h2-3H,1H3;1H",68.47459,61.88672,
896,[C:1]([N:2]1[C:3]([H:10])([H:11])[C:4](=[O:5])[C:6]1([H:12])[H:13])([H:7])([H:8])[H:9],[C:1]([N:2]1[C:3]([H:10])([H:11])[C:4]([O:5][H:12])=[C:6]1[H:13])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-5-2-4(6)3-5/h2-3H2,1H3","InChI=1S/C4H7NO/c1-5-2-4(6)3-5/h2,6H,3H2,1H3",70.7377,16.380670000000002,ketoenol
897,[C:1]([N:2]1[C:3]([H:10])([H:11])[C:4](=[O:5])[C:6]1([H:12])[H:13])([H:7])([H:8])[H:9],[C:1]([N:2]([C:3]([H:10])([H:11])[H:13])[C:6](=[C:4]=[O:5])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-5-2-4(6)3-5/h2-3H2,1H3","InChI=1S/C4H7NO/c1-5(2)3-4-6/h3H,1-2H3",68.67563,3.54494,
898,[C:1]([N:2]1[C:3]([H:10])([H:11])[C:4](=[O:5])[C:6]1([H:12])[H:13])([H:7])([H:8])[H:9],[C-:4]#[O+:5].[C:1]([N+:2]([C-:3]([H:10])[H:11])=[C:6]([H:12])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-5-2-4(6)3-5/h2-3H2,1H3","InChI=1S/C3H7N.CO/c1-4(2)3;1-2/h1-2H2,3H3;",29.243890000000004,26.687540000000002,
899,[C:1]([N:2]1[C:3]([H:10])([H:11])[C:4](=[O:5])[C:6]1([H:12])[H:13])([H:7])([H:8])[H:9],[C:1](=[N+:2]1[C:3]([H:10])([H:11])[C:4]([O-:5])=[C:6]1[H:13])([H:7])[H:9].[H:8][H:12],"InChI=1S/C4H7NO/c1-5-2-4(6)3-5/h2-3H2,1H3","InChI=1S/C4H5NO.H2/c1-5-2-4(6)3-5;/h2H,1,3H2;1H",47.52282,28.517540000000004,
900,[O:1]([C:2]([C:3]([C:4]([O:5][H:13])([H:11])[H:12])([H:9])[H:10])([H:7])[H:8])[H:6],[C:2](=[C:3]([H:9])[H:10])([H:7])[H:8].[C:4](=[O:5])([H:11])[H:12].[O:1]([H:6])[H:13],"InChI=1S/C3H8O2/c4-2-1-3-5/h4-5H,1-3H2",InChI=1S/C2H4.CH2O.H2O/c2*1-2;/h1-2H2;1H2;1H2,45.64682,31.347170000000002,
901,[O:1]([C:2]([C:3]([C:4]([O:5][H:13])([H:11])[H:12])([H:9])[H:10])([H:7])[H:8])[H:6],[O:1]([C:2]([C:3](=[C:4]([H:11])[H:12])[H:10])([H:7])[H:8])[H:6].[O:5]([H:9])[H:13],"InChI=1S/C3H8O2/c4-2-1-3-5/h4-5H,1-3H2","InChI=1S/C3H6O.H2O/c1-2-3-4;/h2,4H,1,3H2;1H2",61.662980000000005,15.11488,"1,3_Insertion_ROR"
902,[O:1]([C:2]([C:3]([C:4]([O:5][H:13])([H:11])[H:12])([H:9])[H:10])([H:7])[H:8])[H:6],[H:6][H:11].[O:1]([C:2]([C:3]([C:4](=[O:5])[H:12])([H:9])[H:10])([H:7])[H:8])[H:13],"InChI=1S/C3H8O2/c4-2-1-3-5/h4-5H,1-3H2","InChI=1S/C3H6O2.H2/c4-2-1-3-5;/h2,5H,1,3H2;1H",49.58355,17.20734,
903,[O:1]([C:2]([C:3]([C:4]([O:5][H:13])([H:11])[H:12])([H:9])[H:10])([H:7])[H:8])[H:6],[C:4]([O:5][H:13])[H:11].[O:1]([C:2]([C:3]([H:9])([H:10])[H:12])([H:7])[H:8])[H:6],"InChI=1S/C3H8O2/c4-2-1-3-5/h4-5H,1-3H2","InChI=1S/C2H6O.CH2O/c1-2-3;1-2/h3H,2H2,1H3;1-2H",76.18701,77.73376,
904,[O:1]([C:2]([C:3]([C:4]([O:5][H:13])([H:11])[H:12])([H:9])[H:10])([H:7])[H:8])[H:6],[C:2]1([H:7])([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[O:5]1.[O:1]([H:6])[H:13],"InChI=1S/C3H8O2/c4-2-1-3-5/h4-5H,1-3H2",InChI=1S/C3H6O.H2O/c1-2-4-3-1;/h1-3H2;1H2,64.62895,25.93854,
905,[O:1]([C:2]([C:3]([C:4]([O:5][H:13])([H:11])[H:12])([H:9])[H:10])([H:7])[H:8])[H:6],[O:1]([C:2]([C:3]([C:4][H:11])([H:9])[H:10])([H:7])[H:8])[H:6].[O:5]([H:12])[H:13],"InChI=1S/C3H8O2/c4-2-1-3-5/h4-5H,1-3H2","InChI=1S/C3H6O.H2O/c1-2-3-4;/h1,4H,2-3H2;1H2",77.33031,98.10965999999999,
906,[C:1]([C:2](=[O:3])[C:4]([C:5]#[C:6][H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](=[O:3])[C:4]([C:6](=[C:5])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H6O/c1-3-4-5(2)6/h1H,4H2,2H3","InChI=1S/C5H6O/c1-3-4-5(2)6/h3H,4H2,2H3",57.67633000000001,44.921009999999995,Singlet_Carbene_Intra_Disproportionation
907,[C:1]([C:2](=[O:3])[C:4]([C:5]#[C:6][H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](/[C:2]([O:3][H:11])=[C:4](\[C:5]#[C:6][H:12])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H6O/c1-3-4-5(2)6/h1H,4H2,2H3","InChI=1S/C5H6O/c1-3-4-5(2)6/h1,4,6H,2H3/b5-4+",54.0131,0.35758,ketoenol
908,[C:1]([C:2](=[O:3])[C:4]([C:5]#[C:6][H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]1=[C:6]([H:12])[C:5](=[O:3])[C:4]1([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H6O/c1-3-4-5(2)6/h1H,4H2,2H3","InChI=1S/C5H6O/c1-4-2-5(6)3-4/h2H,3H2,1H3",107.49378,-14.67731,
909,[C:1]([C:2](=[O:3])[C:4]([C:5]#[C:6][H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([O:3][C:5]#[C:6][H:12])=[C:4]([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H6O/c1-3-4-5(2)6/h1H,4H2,2H3","InChI=1S/C5H6O/c1-4-6-5(2)3/h1H,2H2,3H3",77.13396999999999,26.23595,ketoenol
910,[C:1]([C:2](=[O:3])[C:4]([C:5]#[C:6][H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]([O:3][H:7])[C:4]([C:5]#[C:6][H:12])([H:10])[H:11])([H:8])[H:9],"InChI=1S/C5H6O/c1-3-4-5(2)6/h1H,4H2,2H3","InChI=1S/C5H6O/c1-3-4-5(2)6/h1,6H,2,4H2",64.89196,9.40431,ketoenol
911,[C:1]([C:2](=[O:3])[C:4]([C:5]#[C:6][H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]=[O:3])([H:8])[H:9].[C:4](=[C:5]=[C:6]([H:7])[H:12])([H:10])[H:11],"InChI=1S/C5H6O/c1-3-4-5(2)6/h1H,4H2,2H3",InChI=1S/C3H4.C2H2O/c1-3-2;1-2-3/h1-2H2;1H2,48.2933,16.24196,Retroene
912,[C:1]([C:2](=[O:3])[C:4]([C:5]#[C:6][H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](=[O:3])[C:6](=[C:5]=[C:4]([H:10])[H:11])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C5H6O/c1-3-4-5(2)6/h1H,4H2,2H3","InChI=1S/C5H6O/c1-3-4-5(2)6/h4H,1H2,2H3",50.89089,-8.63536,
913,[C:1]([C:2](=[O:3])[C:4]([C:5]#[C:6][H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]1=[C:5]([C:6](=[O:3])[H:12])[C:4]1([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H6O/c1-3-4-5(2)6/h1H,4H2,2H3","InChI=1S/C5H6O/c1-4-2-5(4)3-6/h3H,2H2,1H3",80.17796,12.82393,
914,[C:1]([C:2](=[O:3])[C:4]([C:5]#[C:6][H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([O:3][H:12])[C:4]([H:10])([H:11])[C:5]1=[C:6])([H:7])([H:8])[H:9],"InChI=1S/C5H6O/c1-3-4-5(2)6/h1H,4H2,2H3","InChI=1S/C5H6O/c1-4-3-5(4,2)6/h6H,3H2,2H3/t5-/m1/s1",76.75269,63.85767,
915,[C:1]([C:2](=[O:3])[C:4]([C:5]#[C:6][H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:5]([C:4]([C:2]#[O+:3])([H:10])[H:11])=[C-:6][H:12])([H:7])([H:8])[H:9],"InChI=1S/C5H6O/c1-3-4-5(2)6/h1H,4H2,2H3","InChI=1S/C5H6O/c1-5(2)3-4-6/h1H,3H2,2H3",83.91082,50.52617,
916,[O:1]([C:2]([C:3]1([H:9])[C:4]([H:10])([H:11])[C:5]1([H:12])[H:13])([H:7])[H:8])[H:6],[C:3]1([H:6])([H:9])[C:4]([H:10])([H:11])[C:5]1([H:12])[H:13].[O:1]=[C:2]([H:7])[H:8],"InChI=1S/C4H8O/c5-3-4-1-2-4/h4-5H,1-3H2",InChI=1S/C3H6.CH2O/c1-2-3-1;1-2/h1-3H2;1H2,75.22404,18.14084,
917,[O:1]([C:2]([C:3]1([H:9])[C:4]([H:10])([H:11])[C:5]1([H:12])[H:13])([H:7])[H:8])[H:6],[H:6][H:9].[O:1]=[C:2]([C:3]1([H:8])[C:4]([H:10])([H:11])[C:5]1([H:12])[H:13])[H:7],"InChI=1S/C4H8O/c5-3-4-1-2-4/h4-5H,1-3H2","InChI=1S/C4H6O.H2/c5-3-4-1-2-4;/h3-4H,1-2H2;1H",85.42617,14.8065,
918,[O:1]([C:2]([C:3]1([H:9])[C:4]([H:10])([H:11])[C:5]1([H:12])[H:13])([H:7])[H:8])[H:6],[C:2](=[C:3]1[C:4]([H:10])([H:11])[C:5]1([H:12])[H:13])([H:7])[H:8].[O:1]([H:6])[H:9],"InChI=1S/C4H8O/c5-3-4-1-2-4/h4-5H,1-3H2",InChI=1S/C4H6.H2O/c1-4-2-3-4;/h1-3H2;1H2,67.92518000000001,19.2269,"1,3_Insertion_ROR"
919,[O:1]([C:2]([C:3]1([H:9])[C:4]([H:10])([H:11])[C:5]1([H:12])[H:13])([H:7])[H:8])[H:6],[C:4](=[C:5]([H:12])[H:13])([H:10])[H:11].[O:1]([C:2](=[C:3]([H:7])[H:9])[H:8])[H:6],"InChI=1S/C4H8O/c5-3-4-1-2-4/h4-5H,1-3H2","InChI=1S/C2H4O.C2H4/c1-2-3;1-2/h2-3H,1H2;1-2H2",78.38956999999999,11.06118,
920,[O:1]([C:2]([C:3]1([H:9])[C:4]([H:10])([H:11])[C:5]1([H:12])[H:13])([H:7])[H:8])[H:6],[O:1]([C:4]([C:5]([C:3](=[C:2]([H:7])[H:8])[H:9])([H:12])[H:13])([H:10])[H:11])[H:6],"InChI=1S/C4H8O/c5-3-4-1-2-4/h4-5H,1-3H2","InChI=1S/C4H8O/c1-2-3-4-5/h2,5H,1,3-4H2",66.79021,-4.64152,
921,[O:1]([C:2]([C:3]1([H:9])[C:4]([H:10])([H:11])[C:5]1([H:12])[H:13])([H:7])[H:8])[H:6],[C:3]1([H:9])=[C:5]([H:13])[C:4]1([H:10])[H:11].[H:6][H:12].[O:1]=[C:2]([H:7])[H:8],"InChI=1S/C4H8O/c5-3-4-1-2-4/h4-5H,1-3H2","InChI=1S/C3H4.CH2O.H2/c1-2-3-1;1-2;/h1-2H,3H2;1H2;1H",79.4169,72.62978000000001,
922,[O:1]([C:2]([C:3]1([H:9])[C:4]([H:10])([H:11])[C:5]1([H:12])[H:13])([H:7])[H:8])[H:6],[O:1]([C:3]1([H:9])[C:2]([H:7])([H:8])[C:4]([H:10])([H:11])[C:5]1([H:12])[H:13])[H:6],"InChI=1S/C4H8O/c5-3-4-1-2-4/h4-5H,1-3H2","InChI=1S/C4H8O/c5-4-2-1-3-4/h4-5H,1-3H2",76.39604,-3.53554,
923,[O:1]([C:2]([C:3]1([H:9])[C:4]([H:10])([H:11])[C:5]1([H:12])[H:13])([H:7])[H:8])[H:6],[H:7][H:10].[O:1](/[C:2](=[C:3](/[C:4](=[C:5]([H:12])[H:13])[H:11])[H:9])[H:8])[H:6],"InChI=1S/C4H8O/c5-3-4-1-2-4/h4-5H,1-3H2","InChI=1S/C4H6O.H2/c1-2-3-4-5;/h2-5H,1H2;1H/b4-3+;",86.74593,16.70895,
924,[O:1]([C:2]([C:3]1([H:9])[C:4]([H:10])([H:11])[C:5]1([H:12])[H:13])([H:7])[H:8])[H:6],[C:2]([H:7])[H:8].[O:1]([C:3]1([H:9])[C:4]([H:10])([H:11])[C:5]1([H:12])[H:13])[H:6],"InChI=1S/C4H8O/c5-3-4-1-2-4/h4-5H,1-3H2","InChI=1S/C3H6O.CH2/c4-3-1-2-3;/h3-4H,1-2H2;1H2",119.12523,120.15311000000001,
925,[C:1]([C:2]([C:3]([C:4]([O:5][C:6]([H:16])([H:17])[H:18])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3](=[C:4]([H:14])[H:15])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9].[H:12][H:17].[O:5]=[C:6]([H:16])[H:18],"InChI=1S/C5H12O/c1-3-4-5-6-2/h3-5H2,1-2H3","InChI=1S/C4H8.CH2O.H2/c1-3-4-2;1-2;/h3H,1,4H2,2H3;1H2;1H",59.568580000000004,35.74716,
926,[C:1]([C:2]([C:3]([C:4]([O:5][C:6]([H:16])([H:17])[H:18])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]([H:12])[H:13])[H:10])([H:7])([H:8])[H:9].[C:4](=[O:5])([H:14])[H:15].[C:6]([H:11])([H:16])([H:17])[H:18],"InChI=1S/C5H12O/c1-3-4-5-6-2/h3-5H2,1-2H3","InChI=1S/C3H6.CH2O.CH4/c1-3-2;1-2;/h3H,1H2,2H3;1H2;1H4",75.40919,21.55811,
927,[C:1]([C:2]([C:3]([C:4]([O:5][C:6]([H:16])([H:17])[H:18])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C-:4]([O+:5]=[C:6]([H:16])[H:18])([H:14])[H:15].[C:1]([C:2]([C:3]([H:12])([H:13])[H:17])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H12O/c1-3-4-5-6-2/h3-5H2,1-2H3","InChI=1S/C3H8.C2H4O/c2*1-3-2/h3H2,1-2H3;1-2H2",78.98934,64.10181,
928,[O:1]=[C:2]([C:3]([C:4]#[C:5][H:9])([H:7])[H:8])[H:6],[O:1]=[C:2]([C:5](=[C:4]=[C:3]([H:7])[H:8])[H:9])[H:6],"InChI=1S/C4H4O/c1-2-3-4-5/h1,4H,3H2","InChI=1S/C4H4O/c1-2-3-4-5/h3-4H,1H2",46.27452,-9.72974,
929,[O:1]=[C:2]([C:3]([C:4]#[C:5][H:9])([H:7])[H:8])[H:6],[O:1]([C:2](=[C:3]([H:7])[H:8])[H:6])[C:4]#[C:5][H:9],"InChI=1S/C4H4O/c1-2-3-4-5/h1,4H,3H2","InChI=1S/C4H4O/c1-3-5-4-2/h1,4H,2H2",89.76499,24.114060000000002,ketoenol
930,[O:1]=[C:2]([C:3]([C:4]#[C:5][H:9])([H:7])[H:8])[H:6],[O:1]=[C:2]([C:3]([C:5](=[C:4])[H:9])([H:7])[H:8])[H:6],"InChI=1S/C4H4O/c1-2-3-4-5/h1,4H,3H2","InChI=1S/C4H4O/c1-2-3-4-5/h2,4H,3H2",61.33373,52.11527,Singlet_Carbene_Intra_Disproportionation
931,[O:1]=[C:2]([C:3]([C:4]([C:5]#[N:6])([H:10])[H:11])([H:8])[H:9])[H:7],[C:3](=[C:4]([C:5]#[N:6])[H:11])([H:8])[H:9].[O:1]=[C:2]([H:7])[H:10],"InChI=1S/C4H5NO/c5-3-1-2-4-6/h4H,1-2H2","InChI=1S/C3H3N.CH2O/c1-2-3-4;1-2/h2H,1H2;1H2",71.41939,28.415770000000002,
932,[O:1]=[C:2]([C:3]([C:4]([C:5]#[N:6])([H:10])[H:11])([H:8])[H:9])[H:7],[O:1]([C:2](=[C:3]([H:8])[H:9])[H:7])[C:4]([C:5]#[N:6])([H:10])[H:11],"InChI=1S/C4H5NO/c5-3-1-2-4-6/h4H,1-2H2","InChI=1S/C4H5NO/c1-2-6-4-3-5/h2H,1,4H2",74.31636,21.00759,ketoenol
933,[O:1]=[C:2]([C:3]([C:4]([C:5]#[N:6])([H:10])[H:11])([H:8])[H:9])[H:7],[O+:1](=[C-:2][H:7])[C:3]([C:4]([C:5]#[N:6])([H:10])[H:11])([H:8])[H:9],"InChI=1S/C4H5NO/c5-3-1-2-4-6/h4H,1-2H2","InChI=1S/C4H5NO/c1-6-4-2-3-5/h1H,2,4H2",112.7515,70.16429000000001,
934,[O:1]=[C:2]([C:3]([C:4]([C:5]#[N:6])([H:10])[H:11])([H:8])[H:9])[H:7],[H:7][H:9].[O:1]=[C:2]=[C:3]([C:4]([C:5]#[N:6])([H:10])[H:11])[H:8],"InChI=1S/C4H5NO/c5-3-1-2-4-6/h4H,1-2H2","InChI=1S/C4H3NO.H2/c5-3-1-2-4-6;/h2H,1H2;1H",73.72421,29.18528,
935,[O:1]=[C:2]([C:3]([C:4]([C:5]#[N:6])([H:10])[H:11])([H:8])[H:9])[H:7],[O:1]=[C:2]([C:3]([C:4]([N+:6]#[C-:5])([H:10])[H:11])([H:8])[H:9])[H:7],"InChI=1S/C4H5NO/c5-3-1-2-4-6/h4H,1-2H2","InChI=1S/C4H5NO/c1-5-3-2-4-6/h4H,2-3H2",60.409240000000004,26.57961,
936,[O:1]=[C:2]([C:3]([C:4]([C:5]#[N:6])([H:10])[H:11])([H:8])[H:9])[H:7],[O:1](/[C:2](=[C:3](\[C:4]([C:5]#[N:6])([H:10])[H:11])[H:8])[H:7])[H:9],"InChI=1S/C4H5NO/c5-3-1-2-4-6/h4H,1-2H2","InChI=1S/C4H5NO/c5-3-1-2-4-6/h2,4,6H,1H2/b4-2-",68.42648,4.58124,ketoenol
937,[O:1]=[C:2]([C:3]([C:4]([C:5]#[N:6])([H:10])[H:11])([H:8])[H:9])[H:7],[O:1]1[C@:2]2([H:7])[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5]1=[N:6]2,"InChI=1S/C4H5NO/c5-3-1-2-4-6/h4H,1-2H2","InChI=1S/C4H5NO/c1-2-4-5-3(1)6-4/h3H,1-2H2/t3-/m1/s1",100.71556,97.94053000000001,
938,[O:1]=[C:2]([C:3]([C:4]([C:5]#[N:6])([H:10])[H:11])([H:8])[H:9])[H:7],[O:1]=[C:5]1[C:4]([H:10])([H:11])[C:3]([H:8])([H:9])[C:2]([H:7])=[N:6]1,"InChI=1S/C4H5NO/c5-3-1-2-4-6/h4H,1-2H2","InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h3H,1-2H2",127.23941,-7.051880000000001,
939,[O:1]=[C:2]([C:3]([C:4]([C:5]#[N:6])([H:10])[H:11])([H:8])[H:9])[H:7],[O:1]([C:2](=[C:3]([H:8])[H:9])[H:7])[C:5]1=[N:6][C:4]1([H:10])[H:11],"InChI=1S/C4H5NO/c5-3-1-2-4-6/h4H,1-2H2","InChI=1S/C4H5NO/c1-2-6-4-3-5-4/h2H,1,3H2",75.56248000000001,53.284780000000005,
940,[O:1]=[C:2]([C:3]([C:4]([C:5]#[N:6])([H:10])[H:11])([H:8])[H:9])[H:7],[C:4]([C:5]#[N:6])([H:9])([H:10])[H:11].[O:1]=[C:2]=[C:3]([H:7])[H:8],"InChI=1S/C4H5NO/c5-3-1-2-4-6/h4H,1-2H2",InChI=1S/C2H3N.C2H2O/c2*1-2-3/h1H3;1H2,79.04575,13.627279999999999,
941,[C:1]([C@@:2]([O:3][H:11])([C:4]1([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])[H:10])([H:7])([H:8])[H:9],[C:1](/[C:2](=[C:4](/[C:5]([C:6]([O:3][H:11])([H:15])[H:16])([H:13])[H:14])[H:12])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-4(6)5-2-3-5/h4-6H,2-3H2,1H3/t4-/m1/s1","InChI=1S/C5H10O/c1-2-3-4-5-6/h2-3,6H,4-5H2,1H3/b3-2+",67.73579000000001,-4.13715,
942,[C:1]([C@@:2]([O:3][H:11])([C:4]1([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])[H:10])([H:7])([H:8])[H:9],[C:1]([O:3][H:11])([H:7])([H:8])[H:9].[C:2]([C:4]1([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])[H:10],"InChI=1S/C5H10O/c1-4(6)5-2-3-5/h4-6H,2-3H2,1H3/t4-/m1/s1","InChI=1S/C4H6.CH4O/c1-4-2-3-4;1-2/h1,4H,2-3H2;2H,1H3",112.46235,100.9639,
943,[C:1]([C@@:2]([O:3][H:11])([C:4]1([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])[H:10])([H:7])([H:8])[H:9],[C:1]([C+:2]([O:3][H:11])[C@@:4]1([H:12])[C-:5]([H:14])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9].[H:10][H:13],"InChI=1S/C5H10O/c1-4(6)5-2-3-5/h4-6H,2-3H2,1H3/t4-/m1/s1","InChI=1S/C5H8O.H2/c1-4(6)5-2-3-5;/h2,5-6H,3H2,1H3;1H/t5-;/m0./s1",105.20588000000001,79.10526999999999,
944,[C:1]([C@@:2]([O:3][H:11])([C:4]1([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2](=[O:3])[H:10])([H:7])([H:8])[H:9].[C:4]1([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16],"InChI=1S/C5H10O/c1-4(6)5-2-3-5/h4-6H,2-3H2,1H3/t4-/m1/s1","InChI=1S/C3H6.C2H4O/c1-2-3-1;1-2-3/h1-3H2;2H,1H3",72.55728,12.79984,
945,[C:1]([C@@:2]([O:3][H:11])([C:4]1([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])[H:10])([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:10].[C:2]([O:3][H:11])[C:4]1([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16],"InChI=1S/C5H10O/c1-4(6)5-2-3-5/h4-6H,2-3H2,1H3/t4-/m1/s1","InChI=1S/C4H6O.CH4/c5-3-4-1-2-4;/h4-5H,1-2H2;1H4",71.10393,57.44331,
946,[C:1]([C@@:2]([O:3][H:11])([C:4]1([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:4]1[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])[H:10])([H:7])([H:8])[H:9].[O:3]([H:11])[H:12],"InChI=1S/C5H10O/c1-4(6)5-2-3-5/h4-6H,2-3H2,1H3/t4-/m1/s1","InChI=1S/C5H8.H2O/c1-2-5-3-4-5;/h2H,3-4H2,1H3;1H2",66.38981,19.759120000000003,"1,3_Insertion_ROR"
947,[C:1]([C@@:2]([O:3][H:11])([C:4]1([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])[H:10])([H:7])([H:8])[H:9],[C:1](=[C:2]([C:4]1([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])[H:10])([H:7])[H:8].[O:3]([H:9])[H:11],"InChI=1S/C5H10O/c1-4(6)5-2-3-5/h4-6H,2-3H2,1H3/t4-/m1/s1","InChI=1S/C5H8.H2O/c1-2-5-3-4-5;/h2,5H,1,3-4H2;1H2",58.82355,13.58034,"1,3_Insertion_ROR"
948,[C:1]([C@@:2]([O:3][H:11])([C:4]1([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])[H:10])([H:7])([H:8])[H:9],[C:1]([C@@:2]([O:3][H:11])([C:4][C:6]([C:5]([H:12])([H:13])[H:14])([H:15])[H:16])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-4(6)5-2-3-5/h4-6H,2-3H2,1H3/t4-/m1/s1","InChI=1S/C5H10O/c1-3-4-5(2)6/h5-6H,3H2,1-2H3/t5-/m1/s1",68.72227,70.71736999999999,
949,[C:1]([C@@:2]([O:3][H:11])([C:4]1([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2](=[O:3])[H:10])([H:7])([H:8])[H:9].[C:4]1([H:12])=[C:5]([H:13])[C:6]1([H:15])[H:16].[H:11][H:14],"InChI=1S/C5H10O/c1-4(6)5-2-3-5/h4-6H,2-3H2,1H3/t4-/m1/s1","InChI=1S/C3H4.C2H4O.H2/c1-2-3-1;1-2-3;/h1-2H,3H2;2H,1H3;1H",78.45563,67.32259,
950,[C:1]([C@@:2]([O:3][H:11])([C:4]1([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])[H:10])([H:7])([H:8])[H:9],[C:1](/[C:4](=[C:2](/[O:3][H:11])[H:10])[H:12])([H:7])([H:8])[H:9].[C:5](=[C:6]([H:15])[H:16])([H:13])[H:14],"InChI=1S/C5H10O/c1-4(6)5-2-3-5/h4-6H,2-3H2,1H3/t4-/m1/s1","InChI=1S/C3H6O.C2H4/c1-2-3-4;1-2/h2-4H,1H3;1-2H2/b3-2+;",91.73671999999999,13.101389999999999,
951,[C:1]([c:2]1[n:3][n:4]([H:10])[n:5][c:6]1[H:11])([H:7])([H:8])[H:9],[C:1]([c:2]1[n:3][n:4][n:5]([H:10])[c:6]1[H:11])([H:7])([H:8])[H:9],"InChI=1S/C3H5N3/c1-3-2-4-6-5-3/h2H,1H3,(H,4,5,6)","InChI=1S/C3H5N3/c1-3-2-4-6-5-3/h2H,1H3,(H,4,5,6)",46.89242,7.65452,
952,[C:1]([c:2]1[n:3][n:4]([H:10])[n:5][c:6]1[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]1=[N:5][C@@:6]1(/[N:3]=[N:4]/[H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C3H5N3/c1-3-2-4-6-5-3/h2H,1H3,(H,4,5,6)","InChI=1S/C3H5N3/c1-2-3(5-2)6-4/h3-4H,1H3/b6-4+/t3-/m1/s1",125.22254,56.042280000000005,
953,[C:1]([c:2]1[n:3][n:4]([H:10])[n:5][c:6]1[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]#[N+:3][N-:4][H:10])([H:7])([H:8])[H:9].[N:5]#[C:6][H:11],"InChI=1S/C3H5N3/c1-3-2-4-6-5-3/h2H,1H3,(H,4,5,6)","InChI=1S/C2H4N2.CHN/c1-2-4-3;1-2/h3H,1H3;1H",63.500930000000004,54.88916999999999,
954,[C:1]([c:2]1[n:3][n:4]([H:10])[n:5][c:6]1[H:11])([H:7])([H:8])[H:9],[C+:1]([C:2](=[N:3][N:4]([H:7])[H:10])[C:6](=[N-:5])[H:11])([H:8])[H:9],"InChI=1S/C3H5N3/c1-3-2-4-6-5-3/h2H,1H3,(H,4,5,6)","InChI=1S/C3H5N3/c1-3(2-4)6-5/h2H,1,5H2",114.21228,60.834959999999995,
955,[C:1]([c:2]1[n:3][n:4]([H:10])[n:5][c:6]1[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]#[N:3])([H:7])([H:8])[H:9].[N-:4]([N+:5]#[C:6][H:11])[H:10],"InChI=1S/C3H5N3/c1-3-2-4-6-5-3/h2H,1H3,(H,4,5,6)",InChI=1S/C2H3N.CH2N2/c1-2-3;1-3-2/h1H3;1-2H,63.39945,49.92523,
956,[C:1]([c:2]1[n:3][n:4]([H:10])[n:5][c:6]1[H:11])([H:7])([H:8])[H:9],[C:1]([c:2]1[n:3]([H:10])[n:4][n:5][c:6]1[H:11])([H:7])([H:8])[H:9],"InChI=1S/C3H5N3/c1-3-2-4-6-5-3/h2H,1H3,(H,4,5,6)","InChI=1S/C3H5N3/c1-3-2-4-6-5-3/h2H,1H3,(H,4,5,6)",47.45111,7.55497,
957,[C:1]([c:2]1[n:3][n:4]([H:10])[n:5][c:6]1[H:11])([H:7])([H:8])[H:9],[C:1]([C@:2]1(/[N:3]=[N:4]/[H:10])[N:5]=[C:6]1[H:11])([H:7])([H:8])[H:9],"InChI=1S/C3H5N3/c1-3-2-4-6-5-3/h2H,1H3,(H,4,5,6)","InChI=1S/C3H5N3/c1-3(6-4)2-5-3/h2,4H,1H3/b6-4+/t3-/m1/s1",68.57366,62.151,
958,[C:1]([c:2]1[n:3][n:4]([H:10])[n:5][c:6]1[H:11])([H:7])([H:8])[H:9],[C:1](/[C:2](=[N:3]/[N:4]([N+:5]#[C-:6])[H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C3H5N3/c1-3-2-4-6-5-3/h2H,1H3,(H,4,5,6)","InChI=1S/C3H5N3/c1-3-5-6-4-2/h3,6H,1H3/b5-3+",86.32829,64.82591,
959,[C:1]([c:2]1[n:3][n:4]([H:10])[n:5][c:6]1[H:11])([H:7])([H:8])[H:9],[C+:1]([C:2]1=[N:3][N:4]([H:10])[N-:5][C:6]1([H:7])[H:11])([H:8])[H:9],"InChI=1S/C3H5N3/c1-3-2-4-6-5-3/h2H,1H3,(H,4,5,6)","InChI=1S/C3H5N3/c1-3-2-4-6-5-3/h6H,1-2H2",96.88514,42.38884,
960,[C:1]([c:2]1[n:3][n:4]([H:10])[n:5][c:6]1[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]1[N:3]([H:7])[N:4]([H:10])[N:5]=[C:6]1[H:11])([H:8])[H:9],"InChI=1S/C3H5N3/c1-3-2-4-6-5-3/h2H,1H3,(H,4,5,6)","InChI=1S/C3H5N3/c1-3-2-4-6-5-3/h2,5-6H,1H2",82.7443,34.38201,
961,[C:1]([c:2]1[n:3][n:4]([H:10])[n:5][c:6]1[H:11])([H:7])([H:8])[H:9],[C:1]([N:3]=[C:2]=[C:6]([N:5]=[N:4][H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C3H5N3/c1-3-2-4-6-5-3/h2H,1H3,(H,4,5,6)","InChI=1S/C3H5N3/c1-5-2-3-6-4/h3-4H,1H3",95.06517,47.88219,
962,[C:1]([c:2]1[n:3][n:4]([H:10])[n:5][c:6]1[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]1=[C+:6][N:5]([H:11])[N:4]([H:10])[N-:3]1)([H:7])([H:8])[H:9],"InChI=1S/C3H5N3/c1-3-2-4-6-5-3/h2H,1H3,(H,4,5,6)","InChI=1S/C3H5N3/c1-3-2-4-6-5-3/h4,6H,1H3",80.81949,52.923019999999994,
963,[O:1]([C:2]([C:3]#[C:4][H:8])([H:6])[H:7])[H:5],[O:1]([C+:2]([C:3](=[C-:4][H:8])[H:7])[H:6])[H:5],"InChI=1S/C3H4O/c1-2-3-4/h1,4H,3H2",InChI=1S/C3H4O/c1-2-3-4/h1-4H,63.28683,39.741859999999996,
964,[O:1]([C:2]([C:3]#[C:4][H:8])([H:6])[H:7])[H:5],[O:1]([C:2](=[C:3]=[C:4]([H:7])[H:8])[H:6])[H:5],"InChI=1S/C3H4O/c1-2-3-4/h1,4H,3H2","InChI=1S/C3H4O/c1-2-3-4/h3-4H,1H2",58.39086999999999,-10.26726,
965,[O:1]([C:2]([C:3]#[C:4][H:8])([H:6])[H:7])[H:5],[O:1]([C:2]([C:4](=[C:3])[H:8])([H:6])[H:7])[H:5],"InChI=1S/C3H4O/c1-2-3-4/h1,4H,3H2","InChI=1S/C3H4O/c1-2-3-4/h2,4H,3H2",51.99126,49.605140000000006,Singlet_Carbene_Intra_Disproportionation
966,[O:1]([C:2]([C:3]#[C:4][H:8])([H:6])[H:7])[H:5],[O:1]1[C:2]([H:6])([H:7])[C:3][C:4]1([H:5])[H:8],"InChI=1S/C3H4O/c1-2-3-4/h1,4H,3H2",InChI=1S/C3H4O/c1-2-4-3-1/h2-3H2,88.60455999999999,70.45864,
967,[O:1]([C:2]([C:3]#[C:4][H:8])([H:6])[H:7])[H:5],[C+:2](=[C:3]=[C-:4][H:8])[H:6].[O:1]([H:5])[H:7],"InChI=1S/C3H4O/c1-2-3-4/h1,4H,3H2",InChI=1S/C3H2.H2O/c1-3-2;/h1-2H;1H2,63.86488000000001,73.34575,
968,[C:1]([C:2]([C:3]([C:4]1([H:14])[C:5]([H:15])([H:16])[C:6]1([H:17])[H:18])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:12])([H:13])[H:15])([H:10])[H:11])([H:7])([H:8])[H:9].[C:4]1([H:14])=[C:5]([H:16])[C:6]1([H:17])[H:18],"InChI=1S/C6H12/c1-2-3-6-4-5-6/h6H,2-5H2,1H3","InChI=1S/C3H4.C3H8/c1-2-3-1;1-3-2/h1-2H,3H2;3H2,1-2H3",116.24873999999998,44.82625,
969,[C:1]([C:2]([C:3]([C:4]1([H:14])[C:5]([H:15])([H:16])[C:6]1([H:17])[H:18])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([C:4][C:5]([C:6]([H:14])([H:17])[H:18])([H:15])[H:16])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C6H12/c1-2-3-6-4-5-6/h6H,2-5H2,1H3","InChI=1S/C6H12/c1-3-5-6-4-2/h3-5H2,1-2H3",65.34034,65.83877,
970,[C:1]([C:2]([C:3]([C:4]1([H:14])[C:5]([H:15])([H:16])[C:6]1([H:17])[H:18])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([H:10])([H:11])[H:13])([H:7])([H:8])[H:9].[C:3]([C:4]1([H:14])[C:5]([H:15])([H:16])[C:6]1([H:17])[H:18])[H:12],"InChI=1S/C6H12/c1-2-3-6-4-5-6/h6H,2-5H2,1H3","InChI=1S/C4H6.C2H6/c1-4-2-3-4;1-2/h1,4H,2-3H2;1-2H3",82.05717,90.72874,
971,[C:1]([C:2]([C:3]([C:4]1([H:14])[C:5]([H:15])([H:16])[C:6]1([H:17])[H:18])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]([H:10])[H:11])([H:8])[H:9].[C:3](=[C:4]([C:5]([C:6]([H:7])([H:17])[H:18])([H:15])[H:16])[H:14])([H:12])[H:13],"InChI=1S/C6H12/c1-2-3-6-4-5-6/h6H,2-5H2,1H3","InChI=1S/C4H8.C2H4/c1-3-4-2;1-2/h3H,1,4H2,2H3;1-2H2",68.10840999999999,16.26119,
972,[C:1]([C:2]([C:3]([C:4]1([H:14])[C:5]([H:15])([H:16])[C:6]1([H:17])[H:18])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]([H:12])[H:13])[H:10])([H:7])([H:8])[H:9].[C:4](=[C:5]([H:15])[H:16])([C:6]([H:11])([H:17])[H:18])[H:14],"InChI=1S/C6H12/c1-2-3-6-4-5-6/h6H,2-5H2,1H3","InChI=1S/2C3H6/c2*1-3-2/h2*3H,1H2,2H3",66.83114,12.47208,
973,[C:1]([C:2]([C:3]([C:4]1([H:14])[C:5]([H:15])([H:16])[C:6]1([H:17])[H:18])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]([H:10])[H:11])([H:8])[H:9].[C:3](=[C:4]1[C:5]([H:15])([H:16])[C:6]1([H:17])[H:18])([H:12])[H:13].[H:7][H:14],"InChI=1S/C6H12/c1-2-3-6-4-5-6/h6H,2-5H2,1H3",InChI=1S/C4H6.C2H4.H2/c1-4-2-3-4;1-2;/h1-3H2;1-2H2;1H,85.16358000000001,60.66061,
974,[C:1]([C:2]([C:3]([C:4]1([H:14])[C:5]([H:15])([H:16])[C:6]1([H:17])[H:18])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([C:6]([C:5]([C:4][H:14])([H:15])[H:16])([H:17])[H:18])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C6H12/c1-2-3-6-4-5-6/h6H,2-5H2,1H3","InChI=1S/C6H12/c1-3-5-6-4-2/h1H,3-6H2,2H3",99.87034,77.1807,
975,[C:1]([C:2]([C:3]([C:4]1([H:14])[C:5]([H:15])([H:16])[C:6]1([H:17])[H:18])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([C:4](=[C:5]([H:15])[H:16])[H:14])([H:12])[H:13])([H:10])[H:11])([C:6]([H:7])([H:17])[H:18])([H:8])[H:9],"InChI=1S/C6H12/c1-2-3-6-4-5-6/h6H,2-5H2,1H3","InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3",97.53971999999999,-4.93942,
976,[C:1]([C:2]([C:3]([C:4]1([H:14])[C:5]([H:15])([H:16])[C:6]1([H:17])[H:18])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:13].[C:2](=[C:3]([C:4]1([H:14])[C:5]([H:15])([H:16])[C:6]1([H:17])[H:18])[H:12])([H:10])[H:11],"InChI=1S/C6H12/c1-2-3-6-4-5-6/h6H,2-5H2,1H3","InChI=1S/C5H8.CH4/c1-2-5-3-4-5;/h2,5H,1,3-4H2;1H4",91.13257,16.345679999999998,
977,[C:1]([C:2]([C:3]([C:4]1([H:14])[C:5]([H:15])([H:16])[C:6]1([H:17])[H:18])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](/[C:3](=[C:4](/[C:6](=[C:5]([H:15])[H:16])[H:17])[H:14])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9].[H:13][H:18],"InChI=1S/C6H12/c1-2-3-6-4-5-6/h6H,2-5H2,1H3","InChI=1S/C6H10.H2/c1-3-5-6-4-2;/h3,5-6H,1,4H2,2H3;1H/b6-5+;",92.18495,19.72573,
978,[C:1]([C:2]([C:3]([C:4]1([H:14])[C:5]([H:15])([H:16])[C:6]1([H:17])[H:18])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([C@:4]([C:5]([H:15])([H:16])[H:17])([C:6][H:18])[H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C6H12/c1-2-3-6-4-5-6/h6H,2-5H2,1H3","InChI=1S/C6H12/c1-4-5-6(2)3/h2,6H,4-5H2,1,3H3/t6-/m0/s1",67.9175,74.60732,
979,[C:1]([C:2]12[C:3]([H:10])([H:11])[C:4]([H:12])([C:5]1([H:13])[H:14])[O:6]2)([H:7])([H:8])[H:9],[C:1]([C:2][C:3]([C@@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]1)([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-5-2-4(3-5)6-5/h4H,2-3H2,1H3","InChI=1S/C5H8O/c1-2-3-5-4-6-5/h5H,3-4H2,1H3/t5-/m0/s1",74.97763,52.518190000000004,
980,[C:1]([C:2]12[C:3]([H:10])([H:11])[C:4]([H:12])([C:5]1([H:13])[H:14])[O:6]2)([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]([H:10])[H:11])[C:5]([C:4](=[O:6])[H:12])([H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-5-2-4(3-5)6-5/h4H,2-3H2,1H3","InChI=1S/C5H8O/c1-5(2)3-4-6/h4H,1,3H2,2H3",28.47376,-46.346140000000005,
981,[C:1]([C:2]12[C:3]([H:10])([H:11])[C:4]([H:12])([C:5]1([H:13])[H:14])[O:6]2)([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([C:4](=[C:5]([H:13])[H:14])[H:12])([H:10])[H:11])=[O:6])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-5-2-4(3-5)6-5/h4H,2-3H2,1H3","InChI=1S/C5H8O/c1-3-4-5(2)6/h3H,1,4H2,2H3",29.827370000000002,-49.65697,
982,[C:1]([C:2]12[C:3]([H:10])([H:11])[C:4]([H:12])([C:5]1([H:13])[H:14])[O:6]2)([H:7])([H:8])[H:9],[C:1]([C:5]([C@:4]1([H:12])[C:3]([H:10])([H:11])[C-:2]=[O+:6]1)([H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-5-2-4(3-5)6-5/h4H,2-3H2,1H3","InChI=1S/C5H8O/c1-2-5-3-4-6-5/h5H,2-3H2,1H3/t5-/m1/s1",93.65454,16.04845,
983,[C:1]([C:2]12[C:3]([H:10])([H:11])[C:4]([H:12])([C:5]1([H:13])[H:14])[O:6]2)([H:7])([H:8])[H:9],[C:1]([C@:2]1([C:5]([C:4][H:12])([H:13])[H:14])[C:3]([H:10])([H:11])[O:6]1)([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-5-2-4(3-5)6-5/h4H,2-3H2,1H3","InChI=1S/C5H8O/c1-3-5(2)4-6-5/h1H,3-4H2,2H3/t5-/m0/s1",78.27065,60.45462,
984,[C:1]([C:2]12[C:3]([H:10])([H:11])[C:4]([H:12])([C:5]1([H:13])[H:14])[O:6]2)([H:7])([H:8])[H:9],[C:1]([C:2]1([C:5]([H:12])([H:13])[H:14])[C:3]([H:10])([H:11])[C-:4]=[O+:6]1)([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-5-2-4(3-5)6-5/h4H,2-3H2,1H3","InChI=1S/C5H8O/c1-5(2)3-4-6-5/h3H2,1-2H3",55.72784,10.5186,
985,[N:1]([C:2](=[O:3])[C@@:4]1([H:9])[C:5]([H:10])([H:11])[N:6]1[H:12])([H:7])[H:8],[N:1]([C:2]1=[C:4]([H:9])[C:5]([H:10])([H:11])[N:6]([H:12])[O:3]1)([H:7])[H:8],"InChI=1S/C3H6N2O/c4-3(6)2-1-5-2/h2,5H,1H2,(H2,4,6)/t2-/m1/s1","InChI=1S/C3H6N2O/c4-3-1-2-5-6-3/h1,5H,2,4H2",60.57892,41.712309999999995,ketoenol
986,[N:1]([C:2](=[O:3])[C@@:4]1([H:9])[C:5]([H:10])([H:11])[N:6]1[H:12])([H:7])[H:8],[C-:2]#[O+:3].[N:1]([N+:6]1([H:12])[C-:4]([H:9])[C:5]1([H:10])[H:11])([H:7])[H:8],"InChI=1S/C3H6N2O/c4-3(6)2-1-5-2/h2,5H,1H2,(H2,4,6)/t2-/m1/s1","InChI=1S/C2H6N2.CO/c3-4-1-2-4;1-2/h1,4H,2-3H2;",108.7863,99.79630999999999,
987,[N:1]([C:2](=[O:3])[C@@:4]1([H:9])[C:5]([H:10])([H:11])[N:6]1[H:12])([H:7])[H:8],[N:1]([C+:2]([O:3][H:11])[C@@:4]1([H:9])[C-:5]([H:10])[N:6]1[H:12])([H:7])[H:8],"InChI=1S/C3H6N2O/c4-3(6)2-1-5-2/h2,5H,1H2,(H2,4,6)/t2-/m1/s1","InChI=1S/C3H6N2O/c4-3(6)2-1-5-2/h1-2,5-6H,4H2/t2-/m1/s1",95.83581,73.7728,
988,[N:1]([C:2](=[O:3])[C@@:4]1([H:9])[C:5]([H:10])([H:11])[N:6]1[H:12])([H:7])[H:8],[N:1]([C:2]([O-:3])=[C:4]([N+:6](=[C:5]([H:10])[H:11])[H:12])[H:9])([H:7])[H:8],"InChI=1S/C3H6N2O/c4-3(6)2-1-5-2/h2,5H,1H2,(H2,4,6)/t2-/m1/s1","InChI=1S/C3H6N2O/c1-5-2-3(4)6/h2,6H,1,4H2",36.44056,8.60187,
989,[N:1]([C:2](=[O:3])[C@@:4]1([H:9])[C:5]([H:10])([H:11])[N:6]1[H:12])([H:7])[H:8],[N:1](/[C:2]([O:3][H:9])=[C:4]1/[C:5]([H:10])([H:11])[N:6]1[H:12])([H:7])[H:8],"InChI=1S/C3H6N2O/c4-3(6)2-1-5-2/h2,5H,1H2,(H2,4,6)/t2-/m1/s1","InChI=1S/C3H6N2O/c4-3(6)2-1-5-2/h5-6H,1,4H2/b3-2+",61.443090000000005,35.487829999999995,ketoenol
990,[N:1]([C:2](=[O:3])[C@@:4]1([H:9])[C:5]([H:10])([H:11])[N:6]1[H:12])([H:7])[H:8],[N:1]([C:2](=[O:3])[C:4]([N+:6](=[C-:5][H:10])[H:12])([H:9])[H:11])([H:7])[H:8],"InChI=1S/C3H6N2O/c4-3(6)2-1-5-2/h2,5H,1H2,(H2,4,6)/t2-/m1/s1","InChI=1S/C3H6N2O/c1-5-2-3(4)6/h1,5H,2H2,(H2,4,6)",69.70176,32.45632,
991,[N:1]([C:2](=[O:3])[C@@:4]1([H:9])[C:5]([H:10])([H:11])[N:6]1[H:12])([H:7])[H:8],[C:4]1([H:8])([H:9])[C:5]([H:10])([H:11])[N:6]1[H:12].[N:1](=[C:2]=[O:3])[H:7],"InChI=1S/C3H6N2O/c4-3(6)2-1-5-2/h2,5H,1H2,(H2,4,6)/t2-/m1/s1","InChI=1S/C2H5N.CHNO/c1-2-3-1;2-1-3/h3H,1-2H2;2H",75.18757,16.79159,
992,[N:1]([C:2](=[O:3])[C@@:4]1([H:9])[C:5]([H:10])([H:11])[N:6]1[H:12])([H:7])[H:8],[N:1]([C:2](=[O:3])[C:4]([N:6]=[C:5]([H:10])[H:11])([H:9])[H:12])([H:7])[H:8],"InChI=1S/C3H6N2O/c4-3(6)2-1-5-2/h2,5H,1H2,(H2,4,6)/t2-/m1/s1","InChI=1S/C3H6N2O/c1-5-2-3(4)6/h1-2H2,(H2,4,6)",61.465619999999994,-9.05429,
993,[N:1]([C:2](=[O:3])[C@@:4]1([H:9])[C:5]([H:10])([H:11])[N:6]1[H:12])([H:7])[H:8],[N:1]([C@@:2]1([O:3][H:12])[C@@:4]2([H:9])[C:5]([H:10])([H:11])[N:6]12)([H:7])[H:8],"InChI=1S/C3H6N2O/c4-3(6)2-1-5-2/h2,5H,1H2,(H2,4,6)/t2-/m1/s1","InChI=1S/C3H6N2O/c4-3(6)2-1-5(2)3/h2,6H,1,4H2/t2-,3+,5?/m1/s1",60.55709,42.58867,
994,[N:1]([C:2](=[O:3])[C@@:4]1([H:9])[C:5]([H:10])([H:11])[N:6]1[H:12])([H:7])[H:8],[N:1]([C:2](=[O:3])/[C:4](=[N:6]/[C:5]([H:10])([H:11])[H:12])[H:9])([H:7])[H:8],"InChI=1S/C3H6N2O/c4-3(6)2-1-5-2/h2,5H,1H2,(H2,4,6)/t2-/m1/s1","InChI=1S/C3H6N2O/c1-5-2-3(4)6/h2H,1H3,(H2,4,6)/b5-2+",60.63926,-13.03086,
995,[N:1]([C:2](=[O:3])[C@@:4]1([H:9])[C:5]([H:10])([H:11])[N:6]1[H:12])([H:7])[H:8],[N:1]([C:2](=[O:3])[C:5](/[C:4](=[N:6]/[H:12])[H:9])([H:10])[H:11])([H:7])[H:8],"InChI=1S/C3H6N2O/c4-3(6)2-1-5-2/h2,5H,1H2,(H2,4,6)/t2-/m1/s1","InChI=1S/C3H6N2O/c4-2-1-3(5)6/h2,4H,1H2,(H2,5,6)/b4-2+",92.37536999999999,-18.00863,
996,[N:1]([C:2](=[O:3])[C@@:4]1([H:9])[C:5]([H:10])([H:11])[N:6]1[H:12])([H:7])[H:8],[N:1](=[C:2](/[O:3][H:7])[C@@:4]1([H:9])[C:5]([H:10])([H:11])[N:6]1[H:12])\[H:8],"InChI=1S/C3H6N2O/c4-3(6)2-1-5-2/h2,5H,1H2,(H2,4,6)/t2-/m1/s1","InChI=1S/C3H6N2O/c4-3(6)2-1-5-2/h2,5H,1H2,(H2,4,6)/t2-/m1/s1",42.607479999999995,10.75818,ketoenol
997,[N:1]([C:2](=[O:3])[C@@:4]1([H:9])[C:5]([H:10])([H:11])[N:6]1[H:12])([H:7])[H:8],[N:1]([C-:2]=[O+:3][C:5](/[C:4](=[N:6]/[H:12])[H:9])([H:10])[H:11])([H:7])[H:8],"InChI=1S/C3H6N2O/c4-3(6)2-1-5-2/h2,5H,1H2,(H2,4,6)/t2-/m1/s1","InChI=1S/C3H6N2O/c4-1-2-6-3-5/h1,4H,2,5H2/b4-1+",71.3344,41.44408,
998,[N:1]([C:2](=[O:3])[C@@:4]1([H:9])[C:5]([H:10])([H:11])[N:6]1[H:12])([H:7])[H:8],[N:1]([C:2](=[O:3])[N+:6]1([H:12])[C-:4]([H:9])[C:5]1([H:10])[H:11])([H:7])[H:8],"InChI=1S/C3H6N2O/c4-3(6)2-1-5-2/h2,5H,1H2,(H2,4,6)/t2-/m1/s1","InChI=1S/C3H6N2O/c4-3(6)5-1-2-5/h1,5H,2H2,(H2,4,6)",63.8106,49.24008,
999,[N:1]([C:2](=[O:3])[C@@:4]1([H:9])[C:5]([H:10])([H:11])[N:6]1[H:12])([H:7])[H:8],[N:1]([C:2](=[O+:3][N-:6][H:12])[C:4](=[C:5]([H:10])[H:11])[H:9])([H:7])[H:8],"InChI=1S/C3H6N2O/c4-3(6)2-1-5-2/h2,5H,1H2,(H2,4,6)/t2-/m1/s1","InChI=1S/C3H6N2O/c1-2-3(4)6-5/h2,5H,1,4H2",98.15254,69.22149,
1000,[N:1]([C:2](=[O:3])[C@@:4]1([H:9])[C:5]([H:10])([H:11])[N:6]1[H:12])([H:7])[H:8],[H:7][H:9].[N:1](=[C:2]1\[O:3][C@:4]12[C:5]([H:10])([H:11])[N:6]2[H:12])\[H:8],"InChI=1S/C3H6N2O/c4-3(6)2-1-5-2/h2,5H,1H2,(H2,4,6)/t2-/m1/s1","InChI=1S/C3H4N2O.H2/c4-2-3(6-2)1-5-3;/h4-5H,1H2;1H/b4-2-;/t3-;/m1./s1",83.83247,69.61676,
1001,[N:1]([C:2](=[O:3])[C@@:4]1([H:9])[C:5]([H:10])([H:11])[N:6]1[H:12])([H:7])[H:8],[N:1]([C@@:2]1([C:4](=[O:3])[H:9])[C:5]([H:10])([H:11])[N:6]1[H:12])([H:7])[H:8],"InChI=1S/C3H6N2O/c4-3(6)2-1-5-2/h2,5H,1H2,(H2,4,6)/t2-/m1/s1","InChI=1S/C3H6N2O/c4-3(2-6)1-5-3/h2,5H,1,4H2/t3-/m0/s1",94.54773,22.10952,
1002,[N:1]([C:2](=[O:3])[C@@:4]1([H:9])[C:5]([H:10])([H:11])[N:6]1[H:12])([H:7])[H:8],[N:1]([C:2](=[O:3])[C@@:4]([C:5][H:11])([N:6]([H:10])[H:12])[H:9])([H:7])[H:8],"InChI=1S/C3H6N2O/c4-3(6)2-1-5-2/h2,5H,1H2,(H2,4,6)/t2-/m1/s1","InChI=1S/C3H6N2O/c1-2(4)3(5)6/h1-2H,4H2,(H2,5,6)/t2-/m1/s1",66.40184,68.48214,
1003,[N:1]([C:2](=[O:3])[C@@:4]1([H:9])[C:5]([H:10])([H:11])[N:6]1[H:12])([H:7])[H:8],[C:5](=[N:6][H:12])([H:10])[H:11].[N:1]([C:4](=[C:2]=[O:3])[H:9])([H:7])[H:8],"InChI=1S/C3H6N2O/c4-3(6)2-1-5-2/h2,5H,1H2,(H2,4,6)/t2-/m1/s1","InChI=1S/C2H3NO.CH3N/c3-1-2-4;1-2/h1H,3H2;2H,1H2",79.43219,36.21051,
1004,[N:1]([C:2](=[O:3])[C@@:4]1([H:9])[C:5]([H:10])([H:11])[N:6]1[H:12])([H:7])[H:8],[C:2](=[O:3])=[C:4]1[C:5]([H:10])([H:11])[N:6]1[H:12].[N:1]([H:7])([H:8])[H:9],"InChI=1S/C3H6N2O/c4-3(6)2-1-5-2/h2,5H,1H2,(H2,4,6)/t2-/m1/s1","InChI=1S/C3H3NO.H3N/c5-2-3-1-4-3;/h4H,1H2;1H3",75.67482,51.28717,"1,3_NH3_elimination"
1005,[N:1]([C:2](=[O:3])[C@@:4]1([H:9])[C:5]([H:10])([H:11])[N:6]1[H:12])([H:7])[H:8],[N:1]([C@@:2]1([H:9])[O:3][C@:4]12[C:5]([H:10])([H:11])[N:6]2[H:12])([H:7])[H:8],"InChI=1S/C3H6N2O/c4-3(6)2-1-5-2/h2,5H,1H2,(H2,4,6)/t2-/m1/s1","InChI=1S/C3H6N2O/c4-2-3(6-2)1-5-3/h2,5H,1,4H2/t2-,3+/m0/s1",89.57321,45.57052,
1006,[N:1]([C:2](=[O:3])[C@@:4]1([H:9])[C:5]([H:10])([H:11])[N:6]1[H:12])([H:7])[H:8],[N:1]([C:2](=[O:3])[C@@:4]1([H:9])[C-:5]([H:10])[N+:6]1([H:11])[H:12])([H:7])[H:8],"InChI=1S/C3H6N2O/c4-3(6)2-1-5-2/h2,5H,1H2,(H2,4,6)/t2-/m1/s1","InChI=1S/C3H6N2O/c4-3(6)2-1-5-2/h1-2H,5H2,(H2,4,6)/t2-/m1/s1",73.88136999999999,61.2995,
1007,[N:1]([C:2](=[O:3])[C@@:4]1([H:9])[C:5]([H:10])([H:11])[N:6]1[H:12])([H:7])[H:8],[N:1]([C:2]([O-:3])=[C:4]1[C:5]([H:10])([H:11])[N+:6]1([H:9])[H:12])([H:7])[H:8],"InChI=1S/C3H6N2O/c4-3(6)2-1-5-2/h2,5H,1H2,(H2,4,6)/t2-/m1/s1","InChI=1S/C3H6N2O/c4-3(6)2-1-5-2/h5-6H,1,4H2",69.83081,44.77851,
1008,[N:1]([C:2](=[O:3])[C@@:4]1([H:9])[C:5]([H:10])([H:11])[N:6]1[H:12])([H:7])[H:8],[N:1]([C:2]([O-:3])=[C:4]=[N+:6]([C:5]([H:9])([H:10])[H:11])[H:12])([H:7])[H:8],"InChI=1S/C3H6N2O/c4-3(6)2-1-5-2/h2,5H,1H2,(H2,4,6)/t2-/m1/s1","InChI=1S/C3H6N2O/c1-5-2-3(4)6/h6H,4H2,1H3",68.77515,21.18822,
1009,[N:1]([C:2](=[O:3])[C@@:4]1([H:9])[C:5]([H:10])([H:11])[N:6]1[H:12])([H:7])[H:8],[N:1]([C:2](=[O:3])[N:6]([C:4](=[C:5]([H:10])[H:11])[H:9])[H:12])([H:7])[H:8],"InChI=1S/C3H6N2O/c4-3(6)2-1-5-2/h2,5H,1H2,(H2,4,6)/t2-/m1/s1","InChI=1S/C3H6N2O/c1-2-5-3(4)6/h2H,1H2,(H3,4,5,6)",84.1684,-18.112460000000002,
1010,[N:1]([C:2](=[O:3])[C@@:4]1([H:9])[C:5]([H:10])([H:11])[N:6]1[H:12])([H:7])[H:8],[N:1]([C@@:2]1([O:3][H:10])[C@:4]2([H:9])[C@@:5]1([H:11])[N:6]2[H:12])([H:7])[H:8],"InChI=1S/C3H6N2O/c4-3(6)2-1-5-2/h2,5H,1H2,(H2,4,6)/t2-/m1/s1","InChI=1S/C3H6N2O/c4-3(6)1-2(3)5-1/h1-2,5-6H,4H2/t1-,2+,3+",85.6514,55.63565,
1011,[O:1]([c:2]1[c:3]([H:8])[n:4][c:5]([H:9])[n:6]1[H:10])[H:7],[O:1]=[C:2]1[C:3]([H:7])([H:8])[N:4]=[C:5]([H:9])[N:6]1[H:10],"InChI=1S/C3H4N2O/c6-3-1-4-2-5-3/h1-2,6H,(H,4,5)","InChI=1S/C3H4N2O/c6-3-1-4-2-5-3/h2H,1H2,(H,4,5,6)",54.886540000000004,-7.9572199999999995,ketoenol
1012,[O:1]([c:2]1[c:3]([H:8])[n:4][c:5]([H:9])[n:6]1[H:10])[H:7],[O:1](/[C:2]([C@@:3]1([H:8])[N:4]=[C:5]1[H:9])=[N:6]\[H:10])[H:7],"InChI=1S/C3H4N2O/c6-3-1-4-2-5-3/h1-2,6H,(H,4,5)","InChI=1S/C3H4N2O/c4-3(6)2-1-5-2/h1-2H,(H2,4,6)/t2-/m0/s1",89.40328000000001,41.786770000000004,
1013,[O:1]([c:2]1[c:3]([H:8])[n:4][c:5]([H:9])[n:6]1[H:10])[H:7],[O:1](/[C:2]([C:3](=[N+:4]=[C-:5][H:9])[H:8])=[N:6]\[H:10])[H:7],"InChI=1S/C3H4N2O/c6-3-1-4-2-5-3/h1-2,6H,(H,4,5)","InChI=1S/C3H4N2O/c1-5-2-3(4)6/h1-2H,(H2,4,6)",46.197140000000005,44.72367,
1014,[O:1]([c:2]1[c:3]([H:8])[n:4][c:5]([H:9])[n:6]1[H:10])[H:7],[O:1]([C:2]1=[C:3]([H:8])[N:4]([H:9])[C:5][N:6]1[H:10])[H:7],"InChI=1S/C3H4N2O/c6-3-1-4-2-5-3/h1-2,6H,(H,4,5)","InChI=1S/C3H4N2O/c6-3-1-4-2-5-3/h1,4-6H",65.3462,33.886,
1015,[O:1]([c:2]1[c:3]([H:8])[n:4][c:5]([H:9])[n:6]1[H:10])[H:7],[O+:1](=[C-:2][C@:3]1([H:8])[N:4]=[C:5]([H:9])[N:6]1[H:10])[H:7],"InChI=1S/C3H4N2O/c6-3-1-4-2-5-3/h1-2,6H,(H,4,5)","InChI=1S/C3H4N2O/c6-1-3-4-2-5-3/h2-3,6H,(H,4,5)",105.88877,95.51748,
1016,[O:1]([c:2]1[c:3]([H:8])[n:4][c:5]([H:9])[n:6]1[H:10])[H:7],[O:1]([C:2]1=[N:6][C:5]([H:9])([H:10])[N:4]=[C:3]1[H:8])[H:7],"InChI=1S/C3H4N2O/c6-3-1-4-2-5-3/h1-2,6H,(H,4,5)","InChI=1S/C3H4N2O/c6-3-1-4-2-5-3/h1H,2H2,(H,5,6)",43.209179999999996,8.64684,
1017,[O:1]([c:2]1[c:3]([H:8])[n:4][c:5]([H:9])[n:6]1[H:10])[H:7],[O:1]([c:2]1[c-:3][n:4]([H:8])[c+:5]([H:9])[n:6]1[H:10])[H:7],"InChI=1S/C3H4N2O/c6-3-1-4-2-5-3/h1-2,6H,(H,4,5)","InChI=1S/C3H4N2O/c6-3-1-4-2-5-3/h2,4-6H",78.48255999999999,46.664429999999996,
1018,[O:1]([c:2]1[c:3]([H:8])[n:4][c:5]([H:9])[n:6]1[H:10])[H:7],[O:1]([C@@:2]1([H:10])[C:3]([H:8])=[N:4][C:5]([H:9])=[N:6]1)[H:7],"InChI=1S/C3H4N2O/c6-3-1-4-2-5-3/h1-2,6H,(H,4,5)","InChI=1S/C3H4N2O/c6-3-1-4-2-5-3/h1-3,6H/t3-/m0/s1",48.17018,21.8533,
1019,[O:1]([c:2]1[c:3]([H:8])[n:4][c:5]([H:9])[n:6]1[H:10])[H:7],[O:1]([C@@:5]1([H:9])[N-:4][C:3]([H:8])=[C+:2][N:6]1[H:10])[H:7],"InChI=1S/C3H4N2O/c6-3-1-4-2-5-3/h1-2,6H,(H,4,5)","InChI=1S/C3H4N2O/c6-3-4-1-2-5-3/h1,3,5-6H/t3-/m0/s1",118.08846000000001,54.93926999999999,
1020,[O:1]([c:2]1[c:3]([H:8])[n:4][c:5]([H:9])[n:6]1[H:10])[H:7],[O:1]([C:2]/[C:3](=[N:4]/[C:5](=[N:6]/[H:10])[H:9])[H:8])[H:7],"InChI=1S/C3H4N2O/c6-3-1-4-2-5-3/h1-2,6H,(H,4,5)","InChI=1S/C3H4N2O/c4-3-5-1-2-6/h1,3-4,6H/b4-3+,5-1+",85.93268,76.30193,
1021,[O:1]([c:2]1[c:3]([H:8])[n:4][c:5]([H:9])[n:6]1[H:10])[H:7],[O:1]=[C:2]1[C:3]([H:8])=[N:4][C:5]([H:7])([H:9])[N:6]1[H:10],"InChI=1S/C3H4N2O/c6-3-1-4-2-5-3/h1-2,6H,(H,4,5)","InChI=1S/C3H4N2O/c6-3-1-4-2-5-3/h1H,2H2,(H,5,6)",89.06736,-2.43198,
1023,[O:1]([c:2]1[c:3]([H:8])[n:4][c:5]([H:9])[n:6]1[H:10])[H:7],[O:1]([C:2][N:6]([C:5](=[N+:4]=[C-:3][H:8])[H:9])[H:10])[H:7],"InChI=1S/C3H4N2O/c6-3-1-4-2-5-3/h1-2,6H,(H,4,5)","InChI=1S/C3H4N2O/c1-4-2-5-3-6/h1-2,5-6H",79.47284,88.67393,
1024,[O:1]([c:2]1[c:3]([H:8])[n:4][c:5]([H:9])[n:6]1[H:10])[H:7],[O:1](/[C:3](=[C:2]1/[N:4]=[C:5]([H:9])[N:6]1[H:10])[H:8])[H:7],"InChI=1S/C3H4N2O/c6-3-1-4-2-5-3/h1-2,6H,(H,4,5)","InChI=1S/C3H4N2O/c6-1-3-4-2-5-3/h1-2,6H,(H,4,5)",141.31755,48.24779,
1025,[O:1]([c:2]1[c:3]([H:8])[n:4][c:5]([H:9])[n:6]1[H:10])[H:7],[O:1]([C@@:2]1([H:8])[C-:3]=[N+:4]=[C:5]([H:9])[N:6]1[H:10])[H:7],"InChI=1S/C3H4N2O/c6-3-1-4-2-5-3/h1-2,6H,(H,4,5)","InChI=1S/C3H4N2O/c6-3-1-4-2-5-3/h2-3,5-6H/t3-/m0/s1",75.53246,71.9065,Singlet_Carbene_Intra_Disproportionation
1026,[O:1]([c:2]1[c:3]([H:8])[n:4][c:5]([H:9])[n:6]1[H:10])[H:7],[N:4]#[C:5][H:9].[O:1]([C:2]1=[C:3]([H:8])[N:6]1[H:10])[H:7],"InChI=1S/C3H4N2O/c6-3-1-4-2-5-3/h1-2,6H,(H,4,5)","InChI=1S/C2H3NO.CHN/c4-2-1-3-2;1-2/h1,3-4H;1H",102.44589,95.87532,
1027,[O:1]([c:2]1[c:3]([H:8])[n:4][c:5]([H:9])[n:6]1[H:10])[H:7],[O:1]([C+:2]([N:6]([C-:5]([N+:4]#[C-:3])[H:9])[H:10])[H:8])[H:7],"InChI=1S/C3H4N2O/c6-3-1-4-2-5-3/h1-2,6H,(H,4,5)","InChI=1S/C3H4N2O/c1-4-2-5-3-6/h2-3,5-6H",89.99289,74.26409,
1028,[O:1]([c:2]1[c:3]([H:8])[n:4][c:5]([H:9])[n:6]1[H:10])[H:7],[O:1]([C:2][N:6]([C@:5]1([H:9])[C:3]([H:8])=[N:4]1)[H:10])[H:7],"InChI=1S/C3H4N2O/c6-3-1-4-2-5-3/h1-2,6H,(H,4,5)","InChI=1S/C3H4N2O/c6-2-5-3-1-4-3/h1,3,5-6H/t3-/m1/s1",113.87985,79.05238,
1029,[C:1]([C:2]([O:3][C:4](=[O:5])[N:6]([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([O:3][H:13])([H:10])[H:11])([H:7])([H:8])[H:9].[C:4](=[O:5])=[N:6][H:12],"InChI=1S/C3H7NO2/c1-2-6-3(4)5/h2H2,1H3,(H2,4,5)","InChI=1S/C2H6O.CHNO/c1-2-3;2-1-3/h3H,2H2,1H3;2H",43.8693,17.95626,"1,3_Insertion_ROR"
1030,[C:1]([C:2]([O:3][C:4](=[O:5])[N:6]([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](=[O:3])[H:11])([H:7])([H:8])[H:9].[C:4](=[O:5])([N:6]([H:12])[H:13])[H:10],"InChI=1S/C3H7NO2/c1-2-6-3(4)5/h2H2,1H3,(H2,4,5)","InChI=1S/C2H4O.CH3NO/c1-2-3;2-1-3/h2H,1H3;1H,(H2,2,3)",75.01141,20.09714,
1031,[C:1]([C:2]([O:3][C:4](=[O:5])[N:6]([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]([H:10])[H:11])([H:7])[H:9].[O:3]=[C:4]([O:5][H:8])[N:6]([H:12])[H:13],"InChI=1S/C3H7NO2/c1-2-6-3(4)5/h2H2,1H3,(H2,4,5)","InChI=1S/C2H4.CH3NO2/c1-2;2-1(3)4/h1-2H2;2H2,(H,3,4)",37.66944,13.17508,Retroene
1032,[C:1]([C:2]([O:3][C:4](=[O:5])[N:6]([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([O:3]/[C:4]([O:5][H:13])=[N:6]\[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C3H7NO2/c1-2-6-3(4)5/h2H2,1H3,(H2,4,5)","InChI=1S/C3H7NO2/c1-2-6-3(4)5/h2H2,1H3,(H2,4,5)",45.562709999999996,16.17846,ketoenol
1033,[C:1]([C:2]([O:3][C:4](=[O:5])[N:6]([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]1([H:7])([H:9])[C:2]([H:10])([H:11])[O:3][C@@:4]1([O:5][H:8])[N:6]([H:12])[H:13],"InChI=1S/C3H7NO2/c1-2-6-3(4)5/h2H2,1H3,(H2,4,5)","InChI=1S/C3H7NO2/c4-3(5)1-2-6-3/h5H,1-2,4H2/t3-/m1/s1",80.94655,34.87608,
1034,[C:1]([C:2]([O:3][C:4](=[O:5])[N:6]([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]([H:10])[H:11])([H:7])[H:9].[N:6]([H:8])([H:12])[H:13].[O:3]=[C:4]=[O:5],"InChI=1S/C3H7NO2/c1-2-6-3(4)5/h2H2,1H3,(H2,4,5)",InChI=1S/C2H4.CO2.H3N/c1-2;2-1-3;/h1-2H2;;1H3,47.91219,14.07646,
1035,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])=[C:5]([H:13])[C@@:6]12[H:14],[C:1]1([H:7])([H:8])[C:2]([C:3]([C:4](=[C:5])[H:12])([H:10])[H:11])([H:9])[C:6]1([H:13])[H:14],"InChI=1S/C6H8/c1-2-5-4-6(5)3-1/h1-2,5-6H,3-4H2/t5-,6+/m0/s1","InChI=1S/C6H8/c1-2-3-6-4-5-6/h2,6H,3-5H2",79.65467,80.00867,
1036,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])=[C:5]([H:13])[C@@:6]12[H:14],[C:1](=[C:2](/[C:6](=[C:5](\[C:4](=[C:3]([H:10])[H:11])[H:12])[H:13])[H:14])[H:9])([H:7])[H:8],"InChI=1S/C6H8/c1-2-5-4-6(5)3-1/h1-2,5-6H,3-4H2/t5-,6+/m0/s1","InChI=1S/C6H8/c1-3-5-6-4-2/h3-6H,1-2H2/b6-5-",47.40546,7.819780000000001,
1037,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])=[C:5]([H:13])[C@@:6]12[H:14],[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:14])[C:5]([H:13])=[C:6]12,"InChI=1S/C6H8/c1-2-5-4-6(5)3-1/h1-2,5-6H,3-4H2/t5-,6+/m0/s1","InChI=1S/C6H8/c1-2-5-4-6(5)3-1/h2,6H,1,3-4H2/t6-/m1/s1",91.9485,34.13673,
1038,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])=[C:5]([H:13])[C@@:6]12[H:14],[C:1]([C@@:6]1([H:14])[C:2][C:3]([H:10])([H:11])[C:4]([H:12])=[C:5]1[H:13])([H:7])([H:8])[H:9],"InChI=1S/C6H8/c1-2-5-4-6(5)3-1/h1-2,5-6H,3-4H2/t5-,6+/m0/s1","InChI=1S/C6H8/c1-6-4-2-3-5-6/h2,4,6H,3H2,1H3/t6-/m1/s1",65.45133,65.57694000000001,
1039,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])=[C:5]([H:13])[C@@:6]12[H:14],[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])=[C:4]([H:12])[C:5]([H:13])=[C:6]12.[H:11][H:14],"InChI=1S/C6H8/c1-2-5-4-6(5)3-1/h1-2,5-6H,3-4H2/t5-,6+/m0/s1","InChI=1S/C6H6.H2/c1-2-5-4-6(5)3-1;/h1-3,5H,4H2;1H/t5-;/m1./s1",97.76346,52.29136,
1040,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])=[C:5]([H:13])[C@@:6]12[H:14],[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5][C@@:6]12[H:14],"InChI=1S/C6H8/c1-2-5-4-6(5)3-1/h1-2,5-6H,3-4H2/t5-,6+/m0/s1","InChI=1S/C6H8/c1-2-5-4-6(5)3-1/h5-6H,1-2,4H2/t5-,6+/m1/s1",66.92406,66.11269,Singlet_Carbene_Intra_Disproportionation
1041,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])=[C:5]([H:13])[C@@:6]12[H:14],[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[C@:4]1([H:12])[C:5]([H:13])=[C:6]2[H:14],"InChI=1S/C6H8/c1-2-5-4-6(5)3-1/h1-2,5-6H,3-4H2/t5-,6+/m0/s1","InChI=1S/C6H8/c1-2-6-3-5(1)4-6/h1-2,5-6H,3-4H2/t5-,6+",53.64025,20.86851,
1042,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])=[C:5]([H:13])[C@@:6]12[H:14],[C:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C+:4]([H:12])[C:5]([H:13])=[C-:6]1)([H:7])([H:8])[H:14],"InChI=1S/C6H8/c1-2-5-4-6(5)3-1/h1-2,5-6H,3-4H2/t5-,6+/m0/s1","InChI=1S/C6H8/c1-6-4-2-3-5-6/h2-3,6H,4H2,1H3/t6-/m0/s1",61.083769999999994,56.572959999999995,
1043,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])=[C:5]([H:13])[C@@:6]12[H:14],[C:1]1([H:8])=[C:2]([H:9])[C:6]1([C:5]([C:4](=[C:3]([H:10])[H:11])[H:12])([H:7])[H:13])[H:14],"InChI=1S/C6H8/c1-2-5-4-6(5)3-1/h1-2,5-6H,3-4H2/t5-,6+/m0/s1","InChI=1S/C6H8/c1-2-3-6-4-5-6/h2,4-6H,1,3H2",90.69277,40.98349,
1044,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])=[C:5]([H:13])[C@@:6]12[H:14],[C:1]([C:2](=[C:3]([H:10])[H:11])[H:9])(/[C:6](=[C:5](\[C:4][H:12])[H:13])[H:14])([H:7])[H:8],"InChI=1S/C6H8/c1-2-5-4-6(5)3-1/h1-2,5-6H,3-4H2/t5-,6+/m0/s1","InChI=1S/C6H8/c1-3-5-6-4-2/h1,3-5H,2,6H2/b5-3-",76.51746999999999,81.47849000000001,
1045,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])=[C:5]([H:13])[C@@:6]12[H:14],[C:1]1([H:7])([H:8])[C:2][C:3]([H:10])([H:11])[C:4]([H:12])=[C:5]([H:13])[C:6]1([H:9])[H:14],"InChI=1S/C6H8/c1-2-5-4-6(5)3-1/h1-2,5-6H,3-4H2/t5-,6+/m0/s1","InChI=1S/C6H8/c1-2-4-6-5-3-1/h1-2H,3-5H2",65.17864,62.55539,
1046,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])=[C:5]([H:13])[C@@:6]12[H:14],[C:1]1([H:7])([H:8])[C@:2]2([H:9])[C:3]([H:10])([H:11])[C:4][C:5]([H:12])([H:13])[C@:6]12[H:14],"InChI=1S/C6H8/c1-2-5-4-6(5)3-1/h1-2,5-6H,3-4H2/t5-,6+/m0/s1","InChI=1S/C6H8/c1-2-5-4-6(5)3-1/h5-6H,2-4H2/t5-,6+",69.86021,72.67766999999999,Singlet_Carbene_Intra_Disproportionation
1047,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])=[C:5]([H:13])[C@@:6]12[H:14],[C:1](=[C:2]([C:3]([C:4](=[C:5]=[C:6]([H:13])[H:14])[H:12])([H:10])[H:11])[H:9])([H:7])[H:8],"InChI=1S/C6H8/c1-2-5-4-6(5)3-1/h1-2,5-6H,3-4H2/t5-,6+/m0/s1","InChI=1S/C6H8/c1-3-5-6-4-2/h3,6H,1-2,5H2",81.56194,17.70779,
1048,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])=[C:5]([H:13])[C@@:6]12[H:14],[C:1]1([H:7])([H:8])[C:2]([H:9])([H:14])[C:3]([H:10])([H:11])[C+:4]([H:12])[C:5]([H:13])=[C-:6]1,"InChI=1S/C6H8/c1-2-5-4-6(5)3-1/h1-2,5-6H,3-4H2/t5-,6+/m0/s1","InChI=1S/C6H8/c1-2-4-6-5-3-1/h1-2H,3,5-6H2",63.030440000000006,58.37758,
1049,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])=[C:5]([H:13])[C@@:6]12[H:14],[C:1]1([H:7])([H:8])[C:3]([H:10])([H:11])[C:4]([H:12])=[C:5]([H:13])[C@@:6]1([C:2][H:9])[H:14],"InChI=1S/C6H8/c1-2-5-4-6(5)3-1/h1-2,5-6H,3-4H2/t5-,6+/m0/s1","InChI=1S/C6H8/c1-6-4-2-3-5-6/h1-2,4,6H,3,5H2/t6-/m0/s1",117.92075,76.20016,
1050,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])=[C:5]([H:13])[C@@:6]12[H:14],[C+:1]1([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[C-:4]=[C:5]([H:13])[C@@:6]12[H:14].[H:7][H:12],"InChI=1S/C6H8/c1-2-5-4-6(5)3-1/h1-2,5-6H,3-4H2/t5-,6+/m0/s1","InChI=1S/C6H6.H2/c1-2-5-4-6(5)3-1;/h2,4-6H,3H2;1H/t5-,6+;/m0./s1",120.57926,108.11148999999999,
1051,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])=[C:5]([H:13])[C@@:6]12[H:14],[C:1]1([H:7])([H:8])[C:2]([H:9])([H:12])[C:6]1([C:5](=[C:4]=[C:3]([H:10])[H:11])[H:13])[H:14],"InChI=1S/C6H8/c1-2-5-4-6(5)3-1/h1-2,5-6H,3-4H2/t5-,6+/m0/s1","InChI=1S/C6H8/c1-2-3-6-4-5-6/h3,6H,1,4-5H2",130.95261000000002,22.5571,
1052,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])=[C:5]([H:13])[C@@:6]12[H:14],[C:1](=[C:6]([C@:2]1([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])=[C:5]1[H:13])[H:14])([H:7])[H:8],"InChI=1S/C6H8/c1-2-5-4-6(5)3-1/h1-2,5-6H,3-4H2/t5-,6+/m0/s1","InChI=1S/C6H8/c1-2-6-4-3-5-6/h2-4,6H,1,5H2/t6-/m0/s1",84.16774000000001,18.50826,
1053,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])=[C:5]([H:13])[C@@:6]12[H:14],[C:1]12([H:8])[C:2]3([H:9])[C:3]([H:11])=[C:4]([H:12])[C:5]1([H:13])[C:6]23[H:14].[H:7][H:10],"InChI=1S/C6H8/c1-2-5-4-6(5)3-1/h1-2,5-6H,3-4H2/t5-,6+/m0/s1",InChI=1S/C6H6.H2/c1-2-4-5-3(1)6(4)5;/h1-6H;1H,84.45978000000001,56.60912,
1054,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])=[C:5]([H:13])[C@@:6]12[H:14],[C:1]([C:2][H:9])([C@@:6]1([H:14])[C:3]([H:10])([H:11])[C:4]([H:12])=[C:5]1[H:13])([H:7])[H:8],"InChI=1S/C6H8/c1-2-5-4-6(5)3-1/h1-2,5-6H,3-4H2/t5-,6+/m0/s1","InChI=1S/C6H8/c1-2-6-4-3-5-6/h1,3-4,6H,2,5H2/t6-/m1/s1",105.19986999999999,105.12817,
1055,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])=[C:5]([H:13])[C@@:6]12[H:14],[C:1](=[C:6]([C:2](=[C:3]([H:10])[H:11])[H:9])[H:14])([H:7])[H:8].[C:4](#[C:5][H:13])[H:12],"InChI=1S/C6H8/c1-2-5-4-6(5)3-1/h1-2,5-6H,3-4H2/t5-,6+/m0/s1","InChI=1S/C4H6.C2H2/c1-3-4-2;1-2/h3-4H,1-2H2;1-2H",88.9612,47.58762,
1056,[O:1]=[C:2]1[C:3]([H:7])([H:8])[N:4]=[C:5]([H:9])[N:6]1[H:10],[C:3](=[N+:4]=[C-:5][H:9])([H:7])[H:8].[O:1]=[C:2]=[N:6][H:10],"InChI=1S/C3H4N2O/c6-3-1-4-2-5-3/h2H,1H2,(H,4,5,6)","InChI=1S/C2H3N.CHNO/c1-3-2;2-1-3/h1H,2H2;2H",69.47559,54.975030000000004,
1057,[O:1]=[C:2]1[C:3]([H:7])([H:8])[N:4]=[C:5]([H:9])[N:6]1[H:10],[O:1]=[C:2]1[C:3]([H:7])([H:8])[N+:4]([H:9])=[C-:5][N:6]1[H:10],"InChI=1S/C3H4N2O/c6-3-1-4-2-5-3/h2H,1H2,(H,4,5,6)","InChI=1S/C3H4N2O/c6-3-1-4-2-5-3/h4H,1H2,(H,5,6)",67.71874,26.730990000000002,
1058,[O:1]=[C:2]1[C:3]([H:7])([H:8])[N:4]=[C:5]([H:9])[N:6]1[H:10],[O-:1][c:2]1[c:3]([H:7])[n+:4]([H:8])[c:5]([H:9])[n:6]1[H:10],"InChI=1S/C3H4N2O/c6-3-1-4-2-5-3/h2H,1H2,(H,4,5,6)","InChI=1S/C3H4N2O/c6-3-1-4-2-5-3/h1-2,6H,(H,4,5)",52.15494,13.30971,
1059,[O:1]=[C:2]1[C:3]([H:7])([H:8])[N:4]=[C:5]([H:9])[N:6]1[H:10],[O:1]=[C:2]([C:3]([N+:4]#[C-:5])([H:7])[H:8])[N:6]([H:9])[H:10],"InChI=1S/C3H4N2O/c6-3-1-4-2-5-3/h2H,1H2,(H,4,5,6)","InChI=1S/C3H4N2O/c1-5-2-3(4)6/h2H2,(H2,4,6)",71.63880999999999,22.24548,
1060,[O:1]=[C:2]1[C:3]([H:7])([H:8])[N:4]=[C:5]([H:9])[N:6]1[H:10],[C:3](=[N:4]/[C:5](=[N:6]/[H:10])[H:9])([H:7])[H:8].[O+:1]#[C-:2],"InChI=1S/C3H4N2O/c6-3-1-4-2-5-3/h2H,1H2,(H,4,5,6)","InChI=1S/C2H4N2.CO/c1-4-2-3;1-2/h2-3H,1H2;/b3-2+;",48.97726,33.94124,
1061,[O:1]=[C:2]1[C:3]([H:7])([H:8])[N:4]=[C:5]([H:9])[N:6]1[H:10],[O:1]=[C:2]1[C:3]([H:7])([H:8])[N:4]1/[C:5](=[N:6]/[H:10])[H:9],"InChI=1S/C3H4N2O/c6-3-1-4-2-5-3/h2H,1H2,(H,4,5,6)","InChI=1S/C3H4N2O/c4-2-5-1-3(5)6/h2,4H,1H2/b4-2+",62.17423,46.005320000000005,
1062,[O:1]=[C:2]1[C:3]([H:7])([H:8])[N:4]=[C:5]([H:9])[N:6]1[H:10],[O:1]=[C:2]=[C:3](/[N:4]=[C:5](\[N:6]([H:8])[H:10])[H:9])[H:7],"InChI=1S/C3H4N2O/c6-3-1-4-2-5-3/h2H,1H2,(H,4,5,6)","InChI=1S/C3H4N2O/c4-3-5-1-2-6/h1,3H,(H2,4,5)",66.12745,27.789579999999997,
1063,[O:1]=[C:2]1[C:3]([H:7])([H:8])[N:4]=[C:5]([H:9])[N:6]1[H:10],[O:1]([C:2]1=[N:6][C:5]([H:9])=[N:4][C:3]1([H:7])[H:8])[H:10],"InChI=1S/C3H4N2O/c6-3-1-4-2-5-3/h2H,1H2,(H,4,5,6)","InChI=1S/C3H4N2O/c6-3-1-4-2-5-3/h2H,1H2,(H,4,5,6)",48.6461,10.612919999999999,ketoenol
1064,[O:1]=[C:2]1[C:3]([H:7])([H:8])[N:4]=[C:5]([H:9])[N:6]1[H:10],[N:4]#[C:5][H:9].[O:1]1/[C:2](=[N:6]\[H:10])[C:3]1([H:7])[H:8],"InChI=1S/C3H4N2O/c6-3-1-4-2-5-3/h2H,1H2,(H,4,5,6)","InChI=1S/C2H3NO.CHN/c3-2-1-4-2;1-2/h3H,1H2;1H/b3-2-;",73.98008,60.77449,
1065,[O:1]=[C:2]1[C:3]([H:7])([H:8])[N:4]=[C:5]([H:9])[N:6]1[H:10],[O:1]([c:2]1[c:3]([H:8])[n:4][c:5]([H:9])[n:6]1[H:10])[H:7],"InChI=1S/C3H4N2O/c6-3-1-4-2-5-3/h2H,1H2,(H,4,5,6)","InChI=1S/C3H4N2O/c6-3-1-4-2-5-3/h1-2,6H,(H,4,5)",71.05915,7.90728,ketoenol
1066,[O:1]=[C:2]1[C:3]([H:7])([H:8])[N:4]=[C:5]([H:9])[N:6]1[H:10],[O:1]=[C:2]1[C:3]([H:8])=[N:4][C:5]([H:7])([H:9])[N:6]1[H:10],"InChI=1S/C3H4N2O/c6-3-1-4-2-5-3/h2H,1H2,(H,4,5,6)","InChI=1S/C3H4N2O/c6-3-1-4-2-5-3/h1H,2H2,(H,5,6)",208.62514,5.48909,
1067,[O:1]=[C:2]1[C:3]([H:7])([H:8])[N:4]=[C:5]([H:9])[N:6]1[H:10],[H:8][H:9].[O-:1][C:2]1=[C:3]([H:7])[N:4]=[C:5]=[N+:6]1[H:10],"InChI=1S/C3H4N2O/c6-3-1-4-2-5-3/h2H,1H2,(H,4,5,6)","InChI=1S/C3H2N2O.H2/c6-3-1-4-2-5-3;/h1,6H;1H",110.44252,79.07535,
1068,[O:1]=[C:2]1[C:3]([H:7])([H:8])[N:4]=[C:5]([H:9])[N:6]1[H:10],[O:1]=[C:2]1[C:3]([H:7])([H:8])[N:4]([H:10])[C:5]([H:9])=[N:6]1,"InChI=1S/C3H4N2O/c6-3-1-4-2-5-3/h2H,1H2,(H,4,5,6)","InChI=1S/C3H4N2O/c6-3-1-4-2-5-3/h2H,1H2,(H,4,5,6)",79.87004,4.99287,
1069,[O:1]=[C:2]1[C:3]([H:7])([H:8])[N:4]=[C:5]([H:9])[N:6]1[H:10],[O:1]=[C:2](/[C:3](=[N:4]\[C:5](=[N:6]\[H:10])[H:9])[H:8])[H:7],"InChI=1S/C3H4N2O/c6-3-1-4-2-5-3/h2H,1H2,(H,4,5,6)","InChI=1S/C3H4N2O/c4-3-5-1-2-6/h1-4H/b4-3+,5-1-",52.59713000000001,34.47309,
1070,[C:1]([C:2](=[N:3][O:4][H:9])[C:5]([H:10])([H:11])[H:12])([H:6])([H:7])[H:8],[C:1]([C:2]([N:3]([O:4][H:9])[H:12])=[C:5]([H:10])[H:11])([H:6])([H:7])[H:8],"InChI=1S/C3H7NO/c1-3(2)4-5/h5H,1-2H3","InChI=1S/C3H7NO/c1-3(2)4-5/h4-5H,1H2,2H3",59.15761,16.41398,
1071,[C:1]([C:2](=[N:3][O:4][H:9])[C:5]([H:10])([H:11])[H:12])([H:6])([H:7])[H:8],[C:1](/[C:2](=[N:3]\[C:5]([H:10])([H:11])[H:12])[O:4][H:9])([H:6])([H:7])[H:8],"InChI=1S/C3H7NO/c1-3(2)4-5/h5H,1-2H3","InChI=1S/C3H7NO/c1-3(5)4-2/h1-2H3,(H,4,5)",80.19194,-30.102190000000004,
1072,[C:1]([C:2](=[N:3][O:4][H:9])[C:5]([H:10])([H:11])[H:12])([H:6])([H:7])[H:8],[C:1]([C+:2]([N:3]([O-:4])[H:9])[C:5]([H:10])([H:11])[H:12])([H:6])([H:7])[H:8],"InChI=1S/C3H7NO/c1-3(2)4-5/h5H,1-2H3","InChI=1S/C3H7NO/c1-3(2)4-5/h4H,1-2H3",47.02088,13.35085,
1073,[C:1]([C:2](=[N:3][O:4][H:9])[C:5]([H:10])([H:11])[H:12])([H:6])([H:7])[H:8],[C:1]([C:2]([N:3]=[O:4])([C:5]([H:10])([H:11])[H:12])[H:9])([H:6])([H:7])[H:8],"InChI=1S/C3H7NO/c1-3(2)4-5/h5H,1-2H3","InChI=1S/C3H7NO/c1-3(2)4-5/h3H,1-2H3",69.51409,22.986279999999997,ketoenol
1074,[C:1]([C:2]([C@@:3]1([H:12])[C:4]([H:13])([H:14])[C@:5]1([C:6]([H:16])([H:17])[H:18])[H:15])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]1([H:7])([H:9])[C:2]([H:10])([H:11])[C:3]1([C:4]([C:5]([C:6]([H:16])([H:17])[H:18])([H:8])[H:15])([H:13])[H:14])[H:12],"InChI=1S/C6H12/c1-3-6-4-5(6)2/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C6H12/c1-2-3-6-4-5-6/h6H,2-5H2,1H3",81.07506,2.65998,
1075,[C:1]([C:2]([C@@:3]1([H:12])[C:4]([H:13])([H:14])[C@:5]1([C:6]([H:16])([H:17])[H:18])[H:15])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C@@:3]1([H:12])[C:4]([H:13])([H:14])[C:5]1)([H:10])[H:11])([H:7])([H:8])[H:9].[C:6]([H:15])([H:16])([H:17])[H:18],"InChI=1S/C6H12/c1-3-6-4-5(6)2/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C5H8.CH4/c1-2-5-3-4-5;/h5H,2-3H2,1H3;1H4/t5-;/m0./s1",87.75328,92.20810999999999,
1076,[C:1]([C:2]([C@@:3]1([H:12])[C:4]([H:13])([H:14])[C@:5]1([C:6]([H:16])([H:17])[H:18])[H:15])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3][C:4]([C:5]([C:6]([H:16])([H:17])[H:18])([H:12])[H:15])([H:13])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C6H12/c1-3-6-4-5(6)2/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C6H12/c1-3-5-6-4-2/h3-5H2,1-2H3",65.27569,69.56033000000001,
1077,[C:1]([C:2]([C@@:3]1([H:12])[C:4]([H:13])([H:14])[C@:5]1([C:6]([H:16])([H:17])[H:18])[H:15])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]([H:10])[H:11])([H:7])[H:9].[C:3](=[C:4]([H:13])[H:14])([C:5]([C:6]([H:16])([H:17])[H:18])([H:8])[H:15])[H:12],"InChI=1S/C6H12/c1-3-6-4-5(6)2/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C4H8.C2H4/c1-3-4-2;1-2/h3H,1,4H2,2H3;1-2H2",70.78367,17.74924,
1078,[C:1]([C:2]([C@@:3]1([H:12])[C:4]([H:13])([H:14])[C@:5]1([C:6]([H:16])([H:17])[H:18])[H:15])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C@@:3]([C:4]([H:13])([H:14])[H:15])([C:5][C:6]([H:16])([H:17])[H:18])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C6H12/c1-3-6-4-5(6)2/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C6H12/c1-4-6(3)5-2/h6H,4H2,1-3H3/t6-/m1/s1",67.31821,68.96983,
1079,[C:1]([C:2]([C@@:3]1([H:12])[C:4]([H:13])([H:14])[C@:5]1([C:6]([H:16])([H:17])[H:18])[H:15])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]([H:10])[H:11])([H:7])[H:9].[C:3]1([H:12])=[C:4]([H:14])[C:5]1([C:6]([H:16])([H:17])[H:18])[H:15].[H:8][H:13],"InChI=1S/C6H12/c1-3-6-4-5(6)2/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C4H6.C2H4.H2/c1-4-2-3-4;1-2;/h2-4H,1H3;1-2H2;1H",93.77468,77.86493,
1080,[C:1]([C:2]([C@@:3]1([H:12])[C:4]([H:13])([H:14])[C@:5]1([C:6]([H:16])([H:17])[H:18])[H:15])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:5]([C:3]1([H:12])[C:2]([H:10])([H:11])[C:4]1([H:13])[H:14])([C:6]([H:16])([H:17])[H:18])[H:15])([H:7])([H:8])[H:9],"InChI=1S/C6H12/c1-3-6-4-5(6)2/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C6H12/c1-5(2)6-3-4-6/h5-6H,3-4H2,1-2H3",109.84598999999999,1.13039,
1081,[C:1]([C:2]([C@@:3]1([H:12])[C:4]([H:13])([H:14])[C@:5]1([C:6]([H:16])([H:17])[H:18])[H:15])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([C:4]([C:5][C:6]([H:16])([H:17])[H:18])([H:13])[H:14])([H:12])[H:15])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C6H12/c1-3-6-4-5(6)2/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C6H12/c1-3-5-6-4-2/h3,5-6H2,1-2H3",65.78151,69.91979,
1082,[C:1]([C:2]([C@@:3]1([H:12])[C:4]([H:13])([H:14])[C@:5]1([C:6]([H:16])([H:17])[H:18])[H:15])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3][C:5]([C:4]([H:12])([H:13])[H:14])([C:6]([H:16])([H:17])[H:18])[H:15])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C6H12/c1-3-6-4-5(6)2/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C6H12/c1-4-5-6(2)3/h6H,4H2,1-3H3",67.8744,70.01304,
1083,[C:1]([C:2]([C@@:3]1([H:12])[C:4]([H:13])([H:14])[C@:5]1([C:6]([H:16])([H:17])[H:18])[H:15])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:12].[C:2](=[C:3]1[C:4]([H:13])([H:14])[C@:5]1([C:6]([H:16])([H:17])[H:18])[H:15])([H:10])[H:11],"InChI=1S/C6H12/c1-3-6-4-5(6)2/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C5H8.CH4/c1-4-3-5(4)2;/h5H,1,3H2,2H3;1H4/t5-;/m1./s1",93.10239,23.596989999999998,
1084,[C:1]([C:2]([C@@:3]1([H:12])[C:4]([H:13])([H:14])[C@:5]1([C:6]([H:16])([H:17])[H:18])[H:15])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:10].[C:2]([C@@:3]1([H:12])[C:4]([H:13])([H:14])[C@:5]1([C:6]([H:16])([H:17])[H:18])[H:15])[H:11],"InChI=1S/C6H12/c1-3-6-4-5(6)2/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C5H8.CH4/c1-4-3-5(4)2;/h1,4-5H,3H2,2H3;1H4/t4-,5+;/m0./s1",82.12859,87.54697,
1085,[c:1]1([H:7])[c:2]([H:8])[n:3][n:4][n:5][c:6]1[H:9],[C@@:1]1([C-:6]([N+:5]#[N:4])[H:9])([H:7])[C:2]([H:8])=[N:3]1,InChI=1S/C3H3N3/c1-2-4-6-5-3-1/h1-3H,InChI=1S/C3H3N3/c4-6-2-3-1-5-3/h1-3H/t3-/m0/s1,52.53665,31.44841,
1086,[c:1]1([H:7])[c:2]([H:8])[n:3][n:4][n:5][c:6]1[H:9],[C:1]1([H:7])=[C:2]([H:8])[N:3]2[N:4]=[N:5][C@@:6]12[H:9],InChI=1S/C3H3N3/c1-2-4-6-5-3-1/h1-3H,InChI=1S/C3H3N3/c1-2-6-3(1)4-5-6/h1-3H/t3-/m1/s1,92.04432,58.89153,
1087,[c:1]1([H:7])[c:2]([H:8])[n:3][n:4][n:5][c:6]1[H:9],[C:1]1([H:7])=[C:2]([H:8])[N-:3][N+:4]2=[N:5][C@:6]12[H:9],InChI=1S/C3H3N3/c1-2-4-6-5-3-1/h1-3H,InChI=1S/C3H3N3/c1-2-4-6-3(1)5-6/h1-3H/t3-/m0/s1,77.99068,71.1261,
1088,[c:1]1([H:7])[c:2]([H:8])[n:3][n:4][n:5][c:6]1[H:9],[C:1](#[C:6][H:9])[H:7].[C:2](#[N:3])[H:8].[N:4]#[N:5],InChI=1S/C3H3N3/c1-2-4-6-5-3-1/h1-3H,InChI=1S/C2H2.CHN.N2/c3*1-2/h1-2H;1H;,48.88707,0.01063,
1089,[c:1]1([H:7])[c:2]([H:8])[n:3][n:4][n:5][c:6]1[H:9],[C+:1]1=[C:2]([H:8])[N-:3][N:4]([H:7])[N:5]=[C:6]1[H:9],InChI=1S/C3H3N3/c1-2-4-6-5-3-1/h1-3H,"InChI=1S/C3H3N3/c1-2-4-6-5-3-1/h2-3,6H",129.03009,45.92369,
1090,[c:1]1([H:7])[c:2]([H:8])[n:3][n:4][n:5][c:6]1[H:9],[C:1](=[C:2]([N:3]=[N+:4]=[N-:5])[H:8])=[C:6]([H:7])[H:9],InChI=1S/C3H3N3/c1-2-4-6-5-3-1/h1-3H,"InChI=1S/C3H3N3/c1-2-3-5-6-4/h3H,1H2",83.97743,28.335859999999997,
1091,[c:1]1([H:7])[c:2]([H:8])[n:3][n:4][n:5][c:6]1[H:9],[C:1]1([H:7])=[C:2]([H:8])[C:6]1([N:5]=[N+:4]=[N-:3])[H:9],InChI=1S/C3H3N3/c1-2-4-6-5-3-1/h1-3H,InChI=1S/C3H3N3/c4-6-5-3-1-2-3/h1-3H,72.33731,48.587379999999996,
1092,[c:1]1([H:7])[c:2]([H:8])[n:3][n:4][n:5][c:6]1[H:9],[C:1]12([H:7])[C:2]([H:8])=[N:3][N:4]1[N:5]=[C:6]2[H:9],InChI=1S/C3H3N3/c1-2-4-6-5-3-1/h1-3H,InChI=1S/C3H3N3/c1-3-2-5-6(3)4-1/h1-3H,73.60604000000001,58.568690000000004,
1093,[c:1]1([H:7])[c:2]([H:8])[n:3][n:4][n:5][c:6]1[H:9],[C:1]1([H:7])=[C:6]=[N+:5]([H:9])[N-:4][N:3]=[C:2]1[H:8],InChI=1S/C3H3N3/c1-2-4-6-5-3-1/h1-3H,"InChI=1S/C3H3N3/c1-2-4-6-5-3-1/h1-2,5H",78.64757,29.506220000000003,
1094,[c:1]1([H:7])[c:2]([H:8])[n:3][n:4][n:5][c:6]1[H:9],[C:1]1([H:7])=[C:2]([H:8])[N:3]=[C:6]1[H:9].[N:4]#[N:5],InChI=1S/C3H3N3/c1-2-4-6-5-3-1/h1-3H,InChI=1S/C3H3N.N2/c1-2-4-3-1;1-2/h1-3H;,78.21385,22.3549,
1095,[c:1]1([H:7])[c:2]([H:8])[n:3][n:4][n:5][c:6]1[H:9],[C:1](\[C:2](=[N-:3])[H:8])(=[C:6](\[N+:5]#[N:4])[H:9])[H:7],InChI=1S/C3H3N3/c1-2-4-6-5-3-1/h1-3H,InChI=1S/C3H3N3/c4-2-1-3-6-5/h1-3H/b3-1-,53.349340000000005,22.09405,
1096,[C:1]([C:2]1([C:5]#[C:6][H:14])[C:3]([H:10])([H:11])[C:4]1([H:12])[H:13])([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:12].[C:2]1([C:5]#[C:6][H:14])=[C:4]([H:13])[C:3]1([H:10])[H:11],"InChI=1S/C6H8/c1-3-6(2)4-5-6/h1H,4-5H2,2H3","InChI=1S/C5H4.CH4/c1-2-5-3-4-5;/h1,3H,4H2;1H4",115.53838,37.014559999999996,
1097,[C:1]([C:2]1([C:5]#[C:6][H:14])[C:3]([H:10])([H:11])[C:4]1([H:12])[H:13])([H:7])([H:8])[H:9],[C:1]([C:2]1=[C:5]=[C:6]([H:14])[C:3]([H:10])([H:11])[C:4]1([H:12])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C6H8/c1-3-6(2)4-5-6/h1H,4-5H2,2H3","InChI=1S/C6H8/c1-6-4-2-3-5-6/h2H,3,5H2,1H3",68.22204,21.1079,
1098,[C:1]([C:2]1([C:5]#[C:6][H:14])[C:3]([H:10])([H:11])[C:4]1([H:12])[H:13])([H:7])([H:8])[H:9],[C:1]([C:2]([C:4](=[C:3]([H:10])[H:11])[H:12])=[C:5]=[C:6]([H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C6H8/c1-3-6(2)4-5-6/h1H,4-5H2,2H3","InChI=1S/C6H8/c1-4-6(3)5-2/h4H,1-2H2,3H3",81.77886,-13.60431,
1099,[C:1]([C:2]1([C:5]#[C:6][H:14])[C:3]([H:10])([H:11])[C:4]1([H:12])[H:13])([H:7])([H:8])[H:9],[C:1]([C:3]([C:4]([C-:2]=[C:5]=[C+:6][H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C6H8/c1-3-6(2)4-5-6/h1H,4-5H2,2H3","InChI=1S/C6H8/c1-3-5-6-4-2/h1H,4,6H2,2H3",88.26116999999999,52.8162,
1100,[C:1]([C:2]1([C:5]#[C:6][H:14])[C:3]([H:10])([H:11])[C:4]1([H:12])[H:13])([H:7])([H:8])[H:9],[C:1]([C+:2]1[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]1=[C-:6][H:14])([H:7])([H:8])[H:9],"InChI=1S/C6H8/c1-3-6(2)4-5-6/h1H,4-5H2,2H3","InChI=1S/C6H8/c1-5-3-4-6(5)2/h1H,3-4H2,2H3",55.95033000000001,52.16768,
1101,[C:1]([C:2]1([C:5]#[C:6][H:14])[C:3]([H:10])([H:11])[C:4]1([H:12])[H:13])([H:7])([H:8])[H:9],[C:1]([C@:2]12[C@:3]([H:11])([C:4]1([H:12])[H:13])[C:5]2=[C:6]([H:10])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C6H8/c1-3-6(2)4-5-6/h1H,4-5H2,2H3","InChI=1S/C6H8/c1-4-5-3-6(4,5)2/h5H,1,3H2,2H3/t5-,6+/m1/s1",81.8328,4.9310599999999996,
1102,[N:1]#[C:2][C@@:3]1([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[O:6]1,[N+:1]1#[C:2][C@@:3]([O:6][C-:5]([H:10])[H:11])([H:7])[C:4]1([H:8])[H:9],"InChI=1S/C4H5NO/c5-3-4-1-2-6-4/h4H,1-2H2/t4-/m1/s1","InChI=1S/C4H5NO/c1-6-4-2-5-3-4/h4H,1-2H2/t4-/m1/s1",110.18943999999999,90.21575,
1103,[N:1]#[C:2][C@@:3]1([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[O:6]1,[N-:1]=[C:2]=[C+:3][C:4]([C:5]([O:6][H:7])([H:10])[H:11])([H:8])[H:9],"InChI=1S/C4H5NO/c5-3-4-1-2-6-4/h4H,1-2H2/t4-/m1/s1","InChI=1S/C4H5NO/c5-3-1-2-4-6/h6H,2,4H2",60.58494,54.114059999999995,
1104,[N:1]#[C:2][C@@:3]1([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[O:6]1,[H:8][H:11].[N:1]#[C:2][C@@:3]1([H:7])[C:4]([H:9])=[C:5]([H:10])[O:6]1,"InChI=1S/C4H5NO/c5-3-4-1-2-6-4/h4H,1-2H2/t4-/m1/s1","InChI=1S/C4H3NO.H2/c5-3-4-1-2-6-4;/h1-2,4H;1H/t4-;/m1./s1",107.0253,34.24836,
1105,[N:1]#[C:2][C@@:3]1([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[O:6]1,[C:4](=[C:5]([H:10])[H:11])([H:8])[H:9].[N:1]#[C:2][C:3](=[O:6])[H:7],"InChI=1S/C4H5NO/c5-3-4-1-2-6-4/h4H,1-2H2/t4-/m1/s1",InChI=1S/C2HNO.C2H4/c3-1-2-4;1-2/h2H;1-2H2,53.61054,7.772930000000001,2+2_cycloaddition
1106,[N:1]#[C:2][C@@:3]1([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[O:6]1,[N:1]#[C:2]/[C:3](=[C:4](/[C:5]([O:6][H:9])([H:10])[H:11])[H:8])[H:7],"InChI=1S/C4H5NO/c5-3-4-1-2-6-4/h4H,1-2H2/t4-/m1/s1","InChI=1S/C4H5NO/c5-3-1-2-4-6/h1-2,6H,4H2/b2-1+",83.45074,-17.58689,
1107,[N:1]#[C:2][C@@:3]1([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[O:6]1,[N:1]1([H:11])[C:2][C@@:3]2([H:7])[C:4]([H:8])([H:9])[C@:5]1([H:10])[O:6]2,"InChI=1S/C4H5NO/c5-3-4-1-2-6-4/h4H,1-2H2/t4-/m1/s1","InChI=1S/C4H5NO/c1-3-2-5-4(1)6-3/h3-5H,1H2/t3-,4+/m1/s1",81.40137,60.63918,
1108,[N:1]#[C:2][C@@:3]1([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[O:6]1,[N:1](=[C:2]=[C:3]1[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[O:6]1)[H:7],"InChI=1S/C4H5NO/c5-3-4-1-2-6-4/h4H,1-2H2/t4-/m1/s1","InChI=1S/C4H5NO/c5-3-4-1-2-6-4/h5H,1-2H2",88.99714,21.811770000000003,
1109,[N:1]#[C:2][C@@:3]1([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[O:6]1,[C:5](=[O:6])([H:10])[H:11].[N:1]#[C:2][C:3](=[C:4]([H:8])[H:9])[H:7],"InChI=1S/C4H5NO/c5-3-4-1-2-6-4/h4H,1-2H2/t4-/m1/s1","InChI=1S/C3H3N.CH2O/c1-2-3-4;1-2/h2H,1H2;1H2",51.019690000000004,2.18866,2+2_cycloaddition
1110,[N:1]#[C:2][C@@:3]1([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[O:6]1,[N+:1](#[C-:2])[C@@:3]1([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[O:6]1,"InChI=1S/C4H5NO/c5-3-4-1-2-6-4/h4H,1-2H2/t4-/m1/s1","InChI=1S/C4H5NO/c1-5-4-2-3-6-4/h4H,2-3H2/t4-/m1/s1",52.08528,21.38365,
1111,[N:1]#[C:2][C@@:3]1([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[O:6]1,[N:1](=[C:2]=[C:3]([C:4]([C:5](=[O:6])[H:10])([H:8])[H:9])[H:7])[H:11],"InChI=1S/C4H5NO/c5-3-4-1-2-6-4/h4H,1-2H2/t4-/m1/s1","InChI=1S/C4H5NO/c5-3-1-2-4-6/h1,4-5H,2H2",69.67425,-6.46992,
1112,[N:1]#[C:2][C@@:3]1([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[O:6]1,[C-:3]1=[O+:6][C:5]([H:10])([H:11])[C:4]1([H:8])[H:9].[N:1](=[C:2])[H:7],"InChI=1S/C4H5NO/c5-3-4-1-2-6-4/h4H,1-2H2/t4-/m1/s1",InChI=1S/C3H4O.CHN/c1-2-4-3-1;1-2/h1-2H2;2H,68.79188,86.4681,
1113,[N:1]#[C:2][C@@:3]1([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[O:6]1,[N:1]1([H:9])[C:2][C@@:3]2([H:7])[C@:4]1([H:8])[C:5]([H:10])([H:11])[O:6]2,"InChI=1S/C4H5NO/c5-3-4-1-2-6-4/h4H,1-2H2/t4-/m1/s1","InChI=1S/C4H5NO/c1-4-3(5-1)2-6-4/h3-5H,2H2/t3-,4-/m0/s1",113.88688,70.9114,
1114,[N:1]#[C:2][C@@:3]1([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[O:6]1,[N-:1]=[C:2]=[C:3]=[O+:6][C:5]([C:4]([H:7])([H:8])[H:9])([H:10])[H:11],"InChI=1S/C4H5NO/c5-3-4-1-2-6-4/h4H,1-2H2/t4-/m1/s1","InChI=1S/C4H5NO/c1-2-6-4-3-5/h2H2,1H3",72.28556999999999,30.91927,
1115,[N:1]#[C:2][C@@:3]1([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[O:6]1,[H:10][H:11].[N:1]#[C:2][C@@:3]1([H:7])[C:4]([H:8])([H:9])[C-:5]=[O+:6]1,"InChI=1S/C4H5NO/c5-3-4-1-2-6-4/h4H,1-2H2/t4-/m1/s1","InChI=1S/C4H3NO.H2/c5-3-4-1-2-6-4;/h4H,1H2;1H/t4-;/m1./s1",79.3531,72.1516,
1116,[O:1]([C:2]([C:3]([N:4]1[C:5]([H:12])([H:13])[C:6]1([H:14])[H:15])([H:10])[H:11])([H:8])[H:9])[H:7],[O:1]1[C:2]([H:8])([H:9])[C:3]([H:10])([H:11])[N:4]([H:7])[C:6]([H:14])([H:15])[C:5]1([H:12])[H:13],"InChI=1S/C4H9NO/c6-4-3-5-1-2-5/h6H,1-4H2","InChI=1S/C4H9NO/c1-3-6-4-2-5-1/h5H,1-4H2",54.49746,-11.97516,
1117,[O:1]([C:2]([C:3]([N:4]1[C:5]([H:12])([H:13])[C:6]1([H:14])[H:15])([H:10])[H:11])([H:8])[H:9])[H:7],[H:8][H:13].[N:4]1=[C:5]([H:12])[C:6]1([H:14])[H:15].[O:1]([C:2](=[C:3]([H:10])[H:11])[H:9])[H:7],"InChI=1S/C4H9NO/c6-4-3-5-1-2-5/h6H,1-4H2","InChI=1S/C2H3N.C2H4O.H2/c1-2-3-1;1-2-3;/h1H,2H2;2-3H,1H2;1H",72.33341,47.63913,
1118,[O:1]([C:2]([C:3]([N:4]1[C:5]([H:12])([H:13])[C:6]1([H:14])[H:15])([H:10])[H:11])([H:8])[H:9])[H:7],[O:1]([C:2]([C:3]([C:5]([N:4]=[C:6]([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:8])[H:9])[H:7],"InChI=1S/C4H9NO/c6-4-3-5-1-2-5/h6H,1-4H2","InChI=1S/C4H9NO/c1-5-3-2-4-6/h6H,1-4H2",84.39788,-16.75424,
1119,[O:1]([C:2]([C:3]([N:4]1[C:5]([H:12])([H:13])[C:6]1([H:14])[H:15])([H:10])[H:11])([H:8])[H:9])[H:7],[O:1]([C:2]([C:3]([N+:4]([C-:5]([H:12])[H:13])=[C:6]([H:14])[H:15])([H:10])[H:11])([H:8])[H:9])[H:7],"InChI=1S/C4H9NO/c6-4-3-5-1-2-5/h6H,1-4H2","InChI=1S/C4H9NO/c1-5(2)3-4-6/h6H,1-4H2",38.73346,19.9922,
1120,[O:1]([C:2]([C:3]([N:4]1[C:5]([H:12])([H:13])[C:6]1([H:14])[H:15])([H:10])[H:11])([H:8])[H:9])[H:7],[H:11][H:15].[O:1]([C:2]([C:3](=[N+:4]1[C:5]([H:12])([H:13])[C-:6]1[H:14])[H:10])([H:8])[H:9])[H:7],"InChI=1S/C4H9NO/c6-4-3-5-1-2-5/h6H,1-4H2","InChI=1S/C4H7NO.H2/c6-4-3-5-1-2-5;/h1,3,6H,2,4H2;1H",69.48416999999999,65.14104,
1121,[O:1]([C:2]([C:3]([N:4]1[C:5]([H:12])([H:13])[C:6]1([H:14])[H:15])([H:10])[H:11])([H:8])[H:9])[H:7],[O:1]([C:2]([C:3]([N+:4]1([H:12])[C-:5]([H:13])[C:6]1([H:14])[H:15])([H:10])[H:11])([H:8])[H:9])[H:7],"InChI=1S/C4H9NO/c6-4-3-5-1-2-5/h6H,1-4H2","InChI=1S/C4H9NO/c6-4-3-5-1-2-5/h1,5-6H,2-4H2",64.74691,55.381119999999996,
1122,[O:1]([C:2]([C:3]([N:4]1[C:5]([H:12])([H:13])[C:6]1([H:14])[H:15])([H:10])[H:11])([H:8])[H:9])[H:7],[C-:3]([N+:4]1=[C:6]([H:14])[C:5]1([H:12])[H:13])([H:10])[H:11].[O:1]([C:2]([H:8])([H:9])[H:15])[H:7],"InChI=1S/C4H9NO/c6-4-3-5-1-2-5/h6H,1-4H2","InChI=1S/C3H5N.CH4O/c1-4-2-3-4;1-2/h2H,1,3H2;2H,1H3",78.21752,60.8129,
1123,[O:1]([C:2]([C:3]([N:4]1[C:5]([H:12])([H:13])[C:6]1([H:14])[H:15])([H:10])[H:11])([H:8])[H:9])[H:7],[N:4]1([H:7])[C:5]([H:12])([H:13])[C:6]1([H:14])[H:15].[O:1]1[C:2]([H:8])([H:9])[C:3]1([H:10])[H:11],"InChI=1S/C4H9NO/c6-4-3-5-1-2-5/h6H,1-4H2","InChI=1S/C2H5N.C2H4O/c2*1-2-3-1/h3H,1-2H2;1-2H2",67.69485999999999,33.69862,
1124,[O:1]([C:2]([C:3]([N:4]1[C:5]([H:12])([H:13])[C:6]1([H:14])[H:15])([H:10])[H:11])([H:8])[H:9])[H:7],[C:2]([C:3]([N:4]1[C:5]([H:12])([H:13])[C:6]1([H:14])[H:15])([H:10])[H:11])[H:9].[O:1]([H:7])[H:8],"InChI=1S/C4H9NO/c6-4-3-5-1-2-5/h6H,1-4H2","InChI=1S/C4H7N.H2O/c1-2-5-3-4-5;/h1H,2-4H2;1H2",75.21601,15.833110000000001,
1125,[O:1]([C:2]([C:3]([N:4]1[C:5]([H:12])([H:13])[C:6]1([H:14])[H:15])([H:10])[H:11])([H:8])[H:9])[H:7],[C:5](=[C:6]([H:14])[H:15])([H:12])[H:13].[O:1]([C:2]([N:4]=[C:3]([H:10])[H:11])([H:8])[H:9])[H:7],"InChI=1S/C4H9NO/c6-4-3-5-1-2-5/h6H,1-4H2","InChI=1S/C2H5NO.C2H4/c1-3-2-4;1-2/h4H,1-2H2;1-2H2",80.1595,6.7064,
1126,[O:1]([C:2]([C:3]([N:4]1[C:5]([H:12])([H:13])[C:6]1([H:14])[H:15])([H:10])[H:11])([H:8])[H:9])[H:7],[C:2]1([H:8])([H:9])[C:3]([H:10])([H:11])[N:4]2[C:5]([H:12])([H:13])[C@@:6]12[H:15].[O:1]([H:7])[H:14],"InChI=1S/C4H9NO/c6-4-3-5-1-2-5/h6H,1-4H2","InChI=1S/C4H7N.H2O/c1-2-5-3-4(1)5;/h4H,1-3H2;1H2/t4-,5?;/m1./s1",89.67992,18.72918,
1127,[N:1](=[C:2]1/[C:3]([H:8])=[C:4]([H:9])[C:5]([H:10])([H:11])[O:6]1)\[H:7],[N:1](=[C:2]1/[C:3][C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[O:6]1)\[H:7],"InChI=1S/C4H5NO/c5-4-2-1-3-6-4/h1-2,5H,3H2/b5-4-","InChI=1S/C4H5NO/c5-4-2-1-3-6-4/h5H,1,3H2/b5-4-",76.70596,80.77479,Singlet_Carbene_Intra_Disproportionation
1128,[N:1](=[C:2]1/[C:3]([H:8])=[C:4]([H:9])[C:5]([H:10])([H:11])[O:6]1)\[H:7],[C:3](#[C:4][C:5]([H:9])([H:10])[H:11])[H:8].[N:1](=[C:2]=[O:6])[H:7],"InChI=1S/C4H5NO/c5-4-2-1-3-6-4/h1-2,5H,3H2/b5-4-","InChI=1S/C3H4.CHNO/c1-3-2;2-1-3/h1H,2H3;2H",91.16684000000001,22.33138,
1129,[N:1](=[C:2]1/[C:3]([H:8])=[C:4]([H:9])[C:5]([H:10])([H:11])[O:6]1)\[H:7],[N:1](=[C:2](\[O:6][C:5]([C:4](=[C:3])[H:9])([H:10])[H:11])[H:8])\[H:7],"InChI=1S/C4H5NO/c5-4-2-1-3-6-4/h1-2,5H,3H2/b5-4-","InChI=1S/C4H5NO/c1-2-3-6-4-5/h2,4-5H,3H2/b5-4-",85.79809,92.10174,
1130,[N:1](=[C:2]1/[C:3]([H:8])=[C:4]([H:9])[C:5]([H:10])([H:11])[O:6]1)\[H:7],[N:1](=[C:2]=[C:3]([C:4](=[C:5]([O:6][H:11])[H:10])[H:9])[H:8])[H:7],"InChI=1S/C4H5NO/c5-4-2-1-3-6-4/h1-2,5H,3H2/b5-4-","InChI=1S/C4H5NO/c5-3-1-2-4-6/h1-2,4-6H",70.89182,21.23409,
1131,[N:1](=[C:2]1/[C:3]([H:8])=[C:4]([H:9])[C:5]([H:10])([H:11])[O:6]1)\[H:7],[C:5](=[O:6])([H:10])[H:11].[N:1](=[c:2]1[c:3]([H:8])[c:4]1[H:9])[H:7],"InChI=1S/C4H5NO/c5-4-2-1-3-6-4/h1-2,5H,3H2/b5-4-","InChI=1S/C3H3N.CH2O/c4-3-1-2-3;1-2/h1-2,4H;1H2",92.18987,70.8324,
1132,[N:1](=[C:2]1/[C:3]([H:8])=[C:4]([H:9])[C:5]([H:10])([H:11])[O:6]1)\[H:7],[N:1](=[C:2]=[C:3]([C:4]([C:5](=[O:6])[H:10])([H:9])[H:11])[H:8])[H:7],"InChI=1S/C4H5NO/c5-4-2-1-3-6-4/h1-2,5H,3H2/b5-4-","InChI=1S/C4H5NO/c5-3-1-2-4-6/h1,4-5H,2H2",52.67041,18.58764,
1133,[N:1](=[C:2]1/[C:3]([H:8])=[C:4]([H:9])[C:5]([H:10])([H:11])[O:6]1)\[H:7],[H:9][H:10].[N:1](=[C:2]1[C:3]([H:8])=[C:4]=[C:5]([H:11])[O:6]1)[H:7],"InChI=1S/C4H5NO/c5-4-2-1-3-6-4/h1-2,5H,3H2/b5-4-","InChI=1S/C4H3NO.H2/c5-4-2-1-3-6-4;/h2-3,5H;1H",88.14461999999999,85.92488,
1134,[N:1](=[C:2]1/[C:3]([H:8])=[C:4]([H:9])[C:5]([H:10])([H:11])[O:6]1)\[H:7],[N:1](=[C:2]1/[C:3]([H:8])([H:9])[C:4][C:5]([H:10])([H:11])[O:6]1)\[H:7],"InChI=1S/C4H5NO/c5-4-2-1-3-6-4/h1-2,5H,3H2/b5-4-","InChI=1S/C4H5NO/c5-4-2-1-3-6-4/h5H,2-3H2/b5-4-",70.96379,73.96166,Singlet_Carbene_Intra_Disproportionation
1135,[N:1](=[C:2]1/[C:3]([H:8])=[C:4]([H:9])[C:5]([H:10])([H:11])[O:6]1)\[H:7],[H:8][H:9].[N:1](=[C:2]1/[C:3]#[C:4][C:5]([H:10])([H:11])[O:6]1)\[H:7],"InChI=1S/C4H5NO/c5-4-2-1-3-6-4/h1-2,5H,3H2/b5-4-","InChI=1S/C4H3NO.H2/c5-4-2-1-3-6-4;/h5H,3H2;1H/b5-4-;",115.09528,115.96718999999999,
1136,[N:1](=[C:2]1/[C:3]([H:8])=[C:4]([H:9])[C:5]([H:10])([H:11])[O:6]1)\[H:7],[N:1]1([H:7])[C-:2]=[O+:6][C:5]([H:10])([H:11])[C:4]([H:9])=[C:3]1[H:8],"InChI=1S/C4H5NO/c5-4-2-1-3-6-4/h1-2,5H,3H2/b5-4-","InChI=1S/C4H5NO/c1-2-5-4-6-3-1/h1-2,5H,3H2",97.44283,41.4534,
1137,[N:1](=[C:2]1/[C:3]([H:8])=[C:4]([H:9])[C:5]([H:10])([H:11])[O:6]1)\[H:7],[N:1]([c:2]1[c:3]([H:8])[c:4]([H:9])[c:5]([H:11])[o:6]1)([H:7])[H:10],"InChI=1S/C4H5NO/c5-4-2-1-3-6-4/h1-2,5H,3H2/b5-4-","InChI=1S/C4H5NO/c5-4-2-1-3-6-4/h1-3H,5H2",85.5016,-1.02795,
1138,[N:1](=[C:2]1/[C:3]([H:8])=[C:4]([H:9])[C:5]([H:10])([H:11])[O:6]1)\[H:7],[N:1](=[C:2](/[C:3](=[C:4])[H:8])[O:6][C:5]([H:9])([H:10])[H:11])\[H:7],"InChI=1S/C4H5NO/c5-4-2-1-3-6-4/h1-2,5H,3H2/b5-4-","InChI=1S/C4H5NO/c1-3-4(5)6-2/h3,5H,2H3/b5-4-",78.88136,84.62556,
1139,[N:1](=[C:2]1/[C:3]([H:8])=[C:4]([H:9])[C:5]([H:10])([H:11])[O:6]1)\[H:7],[H:10][H:11].[N-:1]([C:2]1=[C:3]([H:8])[C:4]([H:9])=[C:5]=[O+:6]1)[H:7],"InChI=1S/C4H5NO/c5-4-2-1-3-6-4/h1-2,5H,3H2/b5-4-","InChI=1S/C4H3NO.H2/c5-4-2-1-3-6-4;/h1-2,5H;1H",74.95348,73.17074000000001,
1140,[N:1](=[C:2]1/[C:3]([H:8])=[C:4]([H:9])[C:5]([H:10])([H:11])[O:6]1)\[H:7],[N:1](=[C:2]=[C:3]([C@@:4]1([H:9])[C:5]([H:10])([H:11])[O:6]1)[H:8])[H:7],"InChI=1S/C4H5NO/c5-4-2-1-3-6-4/h1-2,5H,3H2/b5-4-","InChI=1S/C4H5NO/c5-2-1-4-3-6-4/h1,4-5H,3H2/t4-/m0/s1",69.372,41.40443,
1141,[N:1](=[C:2]1/[C:3]([H:8])=[C:4]([H:9])[C:5]([H:10])([H:11])[O:6]1)\[H:7],[N:1]1([H:7])[C@@:2]23[C@:3]1([H:8])[C@:4]2([H:9])[C:5]([H:10])([H:11])[O:6]3,"InChI=1S/C4H5NO/c5-4-2-1-3-6-4/h1-2,5H,3H2/b5-4-","InChI=1S/C4H5NO/c1-2-3-4(2,5-3)6-1/h2-3,5H,1H2/t2-,3-,4-/m0/s1",107.43061000000002,98.35144,
1142,[N:1](=[C:2]1/[C:3]([H:8])=[C:4]([H:9])[C:5]([H:10])([H:11])[O:6]1)\[H:7],[N:1]1([H:7])[C:2](=[O:6])[C@:3]1([C:4](=[C:5]([H:10])[H:11])[H:9])[H:8],"InChI=1S/C4H5NO/c5-4-2-1-3-6-4/h1-2,5H,3H2/b5-4-","InChI=1S/C4H5NO/c1-2-3-4(6)5-3/h2-3H,1H2,(H,5,6)/t3-/m1/s1",45.47952,29.42345,
1143,[N:1](=[C:2]1/[C:3]([H:8])=[C:4]([H:9])[C:5]([H:10])([H:11])[O:6]1)\[H:7],[N:1]#[C:2]/[C:3](=[C:4](\[C:5]([O:6][H:7])([H:10])[H:11])[H:9])[H:8],"InChI=1S/C4H5NO/c5-4-2-1-3-6-4/h1-2,5H,3H2/b5-4-","InChI=1S/C4H5NO/c5-3-1-2-4-6/h1-2,6H,4H2/b2-1-",63.131640000000004,8.45566,
1144,[N:1](=[C:2]1/[C:3]([H:8])=[C:4]([H:9])[C:5]([H:10])([H:11])[O:6]1)\[H:7],[N:1]([C:2]1=[C:3]=[C:4]([H:9])[C:5]([H:10])([H:11])[O:6]1)([H:7])[H:8],"InChI=1S/C4H5NO/c5-4-2-1-3-6-4/h1-2,5H,3H2/b5-4-","InChI=1S/C4H5NO/c5-4-2-1-3-6-4/h1H,3,5H2",68.46266999999999,42.61237,
1145,[N:1](=[C:2]1/[C:3]([H:8])=[C:4]([H:9])[C:5]([H:10])([H:11])[O:6]1)\[H:7],[N:1]1([H:7])/[C:2](=[C:3](/[C:4](=[C:5]([H:10])[H:11])[H:9])[H:8])[O:6]1,"InChI=1S/C4H5NO/c5-4-2-1-3-6-4/h1-2,5H,3H2/b5-4-","InChI=1S/C4H5NO/c1-2-3-4-5-6-4/h2-3,5H,1H2/b4-3-",73.02261,72.83422,
1146,[N:1](=[C:2]1/[C:3]([H:8])=[C:4]([H:9])[C:5]([H:10])([H:11])[O:6]1)\[H:7],[C:3](#[C:4][H:9])[H:8].[C:5](=[O:6])([H:10])[H:11].[N:1](=[C:2])[H:7],"InChI=1S/C4H5NO/c5-4-2-1-3-6-4/h1-2,5H,3H2/b5-4-",InChI=1S/C2H2.CHN.CH2O/c3*1-2/h1-2H;2H;1H2,102.12507,93.86612,
1147,[N:1](=[C:2]1/[C:3]([H:8])=[C:4]([H:9])[C:5]([H:10])([H:11])[O:6]1)\[H:7],[N:1](=[C:2]1/[C@:3]([C:4](=[C:5]([H:10])[H:11])[H:9])([H:8])[O:6]1)\[H:7],"InChI=1S/C4H5NO/c5-4-2-1-3-6-4/h1-2,5H,3H2/b5-4-","InChI=1S/C4H5NO/c1-2-3-4(5)6-3/h2-3,5H,1H2/b5-4-/t3-/m1/s1",62.88795,33.61313,
1148,[N:1](=[C:2]1/[C:3]([H:8])=[C:4]([H:9])[C:5]([H:10])([H:11])[O:6]1)\[H:7],[N:1]([C+:2]=[C:3]([C:4](=[C:5]([H:10])[H:11])[H:9])[H:8])([O-:6])[H:7],"InChI=1S/C4H5NO/c5-4-2-1-3-6-4/h1-2,5H,3H2/b5-4-","InChI=1S/C4H5NO/c1-2-3-4-5-6/h2-3,5H,1H2",111.87617,85.21805,
1149,[C:1]1([H:4])([H:5])[C:2]([H:6])([H:7])[O:3]1,[C-:1]([O+:3]=[C:2]([H:6])[H:7])([H:4])[H:5],InChI=1S/C2H4O/c1-2-3-1/h1-2H2,InChI=1S/C2H4O/c1-3-2/h1-2H2,53.76464,40.7196,
1150,[C:1]1([H:4])([H:5])[C:2]([H:6])([H:7])[O:3]1,[C:1]([O+:3]=[C-:2][H:7])([H:4])([H:5])[H:6],InChI=1S/C2H4O/c1-2-3-1/h1-2H2,"InChI=1S/C2H4O/c1-3-2/h1H,2H3",75.65117,45.39659,
1151,[C:1]1([H:4])([H:5])[C:2]([H:6])([H:7])[O:3]1,[C:1]([C:2][H:6])([O:3][H:7])([H:4])[H:5],InChI=1S/C2H4O/c1-2-3-1/h1-2H2,"InChI=1S/C2H4O/c1-2-3/h1,3H,2H2",69.6132,68.77634,
1152,[C:1]1([H:4])([H:5])[C:2]([H:6])([H:7])[O:3]1,[C:1]1([H:4])([H:5])[C-:2]=[O+:3]1.[H:6][H:7],InChI=1S/C2H4O/c1-2-3-1/h1-2H2,InChI=1S/C2H2O.H2/c1-2-3-1;/h1H2;1H,81.77604000000001,64.12872,
1153,[N:1]([c:2]1[n:3][n:4]([H:9])[c:5]([H:10])[c:6]1[H:11])([H:7])[H:8],[N:1]([C:2]1=[N:3][N+:4]([H:9])([H:10])[C-:5]=[C:6]1[H:11])([H:7])[H:8],"InChI=1S/C3H5N3/c4-3-1-2-5-6-3/h1-2H,(H3,4,5,6)","InChI=1S/C3H5N3/c4-3-1-2-5-6-3/h1H,5H2,(H2,4,6)",78.92388000000001,64.09906,
1154,[N:1]([c:2]1[n:3][n:4]([H:9])[c:5]([H:10])[c:6]1[H:11])([H:7])[H:8],[N:1]([C:2]1=[C+:6][C:5]([H:10])([H:11])[N:4]([H:9])[N-:3]1)([H:7])[H:8],"InChI=1S/C3H5N3/c4-3-1-2-5-6-3/h1-2H,(H3,4,5,6)","InChI=1S/C3H5N3/c4-3-1-2-5-6-3/h5H,2,4H2",74.34382,73.72187,Singlet_Carbene_Intra_Disproportionation
1155,[N:1]([c:2]1[n:3][n:4]([H:9])[c:5]([H:10])[c:6]1[H:11])([H:7])[H:8],[N:1]([C:6](=[C:2]=[N:3][N:4]([C:5][H:10])[H:9])[H:11])([H:7])[H:8],"InChI=1S/C3H5N3/c4-3-1-2-5-6-3/h1-2H,(H3,4,5,6)","InChI=1S/C3H5N3/c1-5-6-3-2-4/h1-2,5H,4H2",131.32476,99.69085,
1156,[N:1]([c:2]1[n:3][n:4]([H:9])[c:5]([H:10])[c:6]1[H:11])([H:7])[H:8],[N:1]([C:2]1=[N:3][C@@:6]1(/[C:5](=[N:4]/[H:9])[H:10])[H:11])([H:7])[H:8],"InChI=1S/C3H5N3/c4-3-1-2-5-6-3/h1-2H,(H3,4,5,6)","InChI=1S/C3H5N3/c4-1-2-3(5)6-2/h1-2,4H,(H2,5,6)/b4-1+/t2-/m1/s1",69.62119,32.367090000000005,
1157,[N:1]([c:2]1[n:3][n:4]([H:9])[c:5]([H:10])[c:6]1[H:11])([H:7])[H:8],[N:1]([C:2]1=[C:6]([H:11])[C@@:5]1([N:4]([N:3])[H:9])[H:10])([H:7])[H:8],"InChI=1S/C3H5N3/c4-3-1-2-5-6-3/h1-2H,(H3,4,5,6)","InChI=1S/C3H5N3/c4-2-1-3(2)6-5/h1,3,6H,4H2/t3-/m0/s1",112.77036000000001,89.25069,
1158,[N:1]([c:2]1[n:3][n:4]([H:9])[c:5]([H:10])[c:6]1[H:11])([H:7])[H:8],[N:1](=[c:2]1/[n:3]([H:8])[n:4]([H:9])[c:5]([H:10])[c:6]1[H:11])\[H:7],"InChI=1S/C3H5N3/c4-3-1-2-5-6-3/h1-2H,(H3,4,5,6)","InChI=1S/C3H5N3/c4-3-1-2-5-6-3/h1-2H,(H3,4,5,6)",57.17417,19.636020000000002,
1159,[N:1]([c:2]1[n:3][n:4]([H:9])[c:5]([H:10])[c:6]1[H:11])([H:7])[H:8],[N:1]([C:2](=[N-:3])[C@:6]1([H:11])[N:4]([H:9])[C+:5]1[H:10])([H:7])[H:8],"InChI=1S/C3H5N3/c4-3-1-2-5-6-3/h1-2H,(H3,4,5,6)","InChI=1S/C3H5N3/c4-3(5)2-1-6-2/h1-2,6H,(H2-,4,5)/t2-/m1/s1",99.87082,95.0294,
1160,[N:1]([c:2]1[n:3][n:4]([H:9])[c:5]([H:10])[c:6]1[H:11])([H:7])[H:8],[N:1](=[C:2]1[N-:3][N:4]([H:9])[C+:5]([H:10])[C:6]1([H:7])[H:11])[H:8],"InChI=1S/C3H5N3/c4-3-1-2-5-6-3/h1-2H,(H3,4,5,6)","InChI=1S/C3H5N3/c4-3-1-2-5-6-3/h2,5H,1H2,(H-,4,6)",80.0335,33.79951,
1161,[N:1]([c:2]1[n:3][n:4]([H:9])[c:5]([H:10])[c:6]1[H:11])([H:7])[H:8],[N:1]([C:2]1=[N:3][N+:4]([H:9])=[C-:5][C:6]1([H:10])[H:11])([H:7])[H:8],"InChI=1S/C3H5N3/c4-3-1-2-5-6-3/h1-2H,(H3,4,5,6)","InChI=1S/C3H5N3/c4-3-1-2-5-6-3/h5H,1H2,(H2,4,6)",62.85601,45.96963,Singlet_Carbene_Intra_Disproportionation
1162,[N:1]([c:2]1[n:3][n:4]([H:9])[c:5]([H:10])[c:6]1[H:11])([H:7])[H:8],[N:1]([C:2]1=[C:6]=[C:5]([H:10])[N:4]([H:9])[N:3]1[H:11])([H:7])[H:8],"InChI=1S/C3H5N3/c4-3-1-2-5-6-3/h1-2H,(H3,4,5,6)","InChI=1S/C3H5N3/c4-3-1-2-5-6-3/h2,5-6H,4H2",96.45561,57.49264,
1163,[N:1]([c:2]1[n:3][n:4]([H:9])[c:5]([H:10])[c:6]1[H:11])([H:7])[H:8],[N:1]([C:2]1=[C:6]([H:11])[C:5]([H:9])([H:10])[N:4]=[N:3]1)([H:7])[H:8],"InChI=1S/C3H5N3/c4-3-1-2-5-6-3/h1-2H,(H3,4,5,6)","InChI=1S/C3H5N3/c4-3-1-2-5-6-3/h1H,2,4H2",44.811859999999996,26.15276,
1164,[N:1]([c:2]1[n:3][n:4]([H:9])[c:5]([H:10])[c:6]1[H:11])([H:7])[H:8],[N:1]([c:2]1[n:3]([H:9])[n:4][c:5]([H:10])[c:6]1[H:11])([H:7])[H:8],"InChI=1S/C3H5N3/c4-3-1-2-5-6-3/h1-2H,(H3,4,5,6)","InChI=1S/C3H5N3/c4-3-1-2-5-6-3/h1-2H,(H3,4,5,6)",42.99734,2.22825,
1165,[N:1]([c:2]1[n:3][n:4]([H:9])[c:5]([H:10])[c:6]1[H:11])([H:7])[H:8],[N:1]([C@@:2]1([H:11])[N-:3][N:4]([H:9])[C:5]([H:10])=[C+:6]1)([H:7])[H:8],"InChI=1S/C3H5N3/c4-3-1-2-5-6-3/h1-2H,(H3,4,5,6)","InChI=1S/C3H5N3/c4-3-1-2-5-6-3/h2-3,5H,4H2/t3-/m0/s1",84.75769,87.20934,
1166,[N:1]([c:2]1[n:3][n:4]([H:9])[c:5]([H:10])[c:6]1[H:11])([H:7])[H:8],[N:1]([C+:2](/[N:3]=[N:4]/[H:9])[C:6](=[C-:5][H:10])[H:11])([H:7])[H:8],"InChI=1S/C3H5N3/c4-3-1-2-5-6-3/h1-2H,(H3,4,5,6)","InChI=1S/C3H5N3/c1-2-3(4)6-5/h1-2,5H,4H2/b6-5+",99.87414,98.94744,
1167,[N:1]([c:2]1[n:3][n:4]([H:9])[c:5]([H:10])[c:6]1[H:11])([H:7])[H:8],[N+:1]([C:2]1=[C:6]=[C:5]([H:10])[N:4]([H:9])[N-:3]1)([H:7])([H:8])[H:11],"InChI=1S/C3H5N3/c4-3-1-2-5-6-3/h1-2H,(H3,4,5,6)","InChI=1S/C3H4N3/c4-3-1-2-5-6-3/h2,5H,4H2/q-1/p+1",79.30991999999999,73.85911999999999,
1168,[N:1]([c:2]1[n:3][n:4]([H:9])[c:5]([H:10])[c:6]1[H:11])([H:7])[H:8],[N:1]([C:2](=[N:3][H:10])[C:6](=[C:5]=[N:4][H:9])[H:11])([H:7])[H:8],"InChI=1S/C3H5N3/c4-3-1-2-5-6-3/h1-2H,(H3,4,5,6)","InChI=1S/C3H5N3/c4-2-1-3(5)6/h1,4H,(H3,5,6)",126.54287,8.79832,
1169,[N:1]([c:2]1[n:3][n:4]([H:9])[c:5]([H:10])[c:6]1[H:11])([H:7])[H:8],[C:5](#[C:6][H:11])[H:10].[N:1]([C:2]#[N+:3][N-:4][H:9])([H:7])[H:8],"InChI=1S/C3H5N3/c4-3-1-2-5-6-3/h1-2H,(H3,4,5,6)","InChI=1S/C2H2.CH3N3/c1-2;2-1-4-3/h1-2H;3H,2H2",95.42622,95.73093,
1170,[N:1]([c:2]1[n:3][n:4]([H:9])[c:5]([H:10])[c:6]1[H:11])([H:7])[H:8],[N+:1]1([H:7])([H:8])[C:2](=[C:6]([C:5](=[N:4][H:9])[H:10])[H:11])[N-:3]1,"InChI=1S/C3H5N3/c4-3-1-2-5-6-3/h1-2H,(H3,4,5,6)","InChI=1S/C3H5N3/c4-2-1-3-5-6-3/h1-2,4H,5H2",73.9221,71.69893,
1171,[N:1]([c:2]1[n:3][n:4]([H:9])[c:5]([H:10])[c:6]1[H:11])([H:7])[H:8],[N:1]([C:2](/[N:3]=[N:4]/[H:9])=[C:6]=[C:5]([H:10])[H:11])([H:7])[H:8],"InChI=1S/C3H5N3/c4-3-1-2-5-6-3/h1-2H,(H3,4,5,6)","InChI=1S/C3H5N3/c1-2-3(4)6-5/h5H,1,4H2/b6-5+",74.34336,61.25529,
1172,[N:1]([c:2]1[n:3][n:4]([H:9])[c:5]([H:10])[c:6]1[H:11])([H:7])[H:8],[N:1]([C:2]1=[C:6]([H:11])[C@:5]2([H:10])[N:3]1[N:4]2[H:9])([H:7])[H:8],"InChI=1S/C3H5N3/c4-3-1-2-5-6-3/h1-2H,(H3,4,5,6)","InChI=1S/C3H5N3/c4-2-1-3-5-6(2)3/h1,3,5H,4H2/t3-,6?/m0/s1",94.86883,77.8763,
1173,[N:1]([c:2]1[n:3][n:4]([H:9])[n:5][n:6]1)([H:7])[H:8],[N:1](=[c:2]1/[n:3]([H:7])[n:4]([H:9])[n:5][n:6]1)\[H:8],"InChI=1S/CH3N5/c2-1-3-5-6-4-1/h(H3,2,3,4,5,6)","InChI=1S/CH3N5/c2-1-3-5-6-4-1/h(H3,2,3,4,5,6)",66.9792,26.59292,
1174,[N:1]([c:2]1[n:3][n:4]([H:9])[n:5][n:6]1)([H:7])[H:8],[N:1]([c:2]1[n:3]([H:9])[n:4][n:5][n:6]1)([H:7])[H:8],"InChI=1S/CH3N5/c2-1-3-5-6-4-1/h(H3,2,3,4,5,6)","InChI=1S/CH3N5/c2-1-3-5-6-4-1/h(H3,2,3,4,5,6)",46.72781,3.08491,
1175,[N:1]([c:2]1[n:3][n:4]([H:9])[n:5][n:6]1)([H:7])[H:8],[N:1](=[c:2]1[n-:3][n+:4]([H:9])[n:5][n:6]1[H:8])[H:7],"InChI=1S/CH3N5/c2-1-3-5-6-4-1/h(H3,2,3,4,5,6)","InChI=1S/CH3N5/c2-1-3-5-6-4-1/h(H3-,2,3,4,5,6)",60.08241999999999,23.475070000000002,
1176,[N:1]([c:2]1[n:3][n:4]([H:9])[n:5][n:6]1)([H:7])[H:8],[N:1]([C:2]#[N+:3][N-:4][H:9])([H:7])[H:8].[N:5]#[N:6],"InChI=1S/CH3N5/c2-1-3-5-6-4-1/h(H3,2,3,4,5,6)","InChI=1S/CH3N3.N2/c2-1-4-3;1-2/h3H,2H2;",27.463309999999996,6.15428,
1177,[N:1]([c:2]1[n:3][n:4]([H:9])[n:5][n:6]1)([H:7])[H:8],[N:1]([C:2]#[N:3])([H:7])[H:8].[N:4](=[N+:5]=[N-:6])[H:9],"InChI=1S/CH3N5/c2-1-3-5-6-4-1/h(H3,2,3,4,5,6)",InChI=1S/CH2N2.HN3/c2-1-3;1-3-2/h2H2;1H,47.36015,22.869329999999998,
1178,[N:1]([c:2]1[n:3][n:4]([H:9])[n:5][n:6]1)([H:7])[H:8],[N:1]([C:2](=[N+:6]=[N-:5])[H:9])([H:7])[H:8].[N:3]#[N:4],"InChI=1S/CH3N5/c2-1-3-5-6-4-1/h(H3,2,3,4,5,6)","InChI=1S/CH3N3.N2/c2-1-4-3;1-2/h1H,2H2;",77.49986,-3.6112900000000003,
1179,[N:1]([c:2]1[n:3][n:4]([H:9])[n:5][n:6]1)([H:7])[H:8],[N:1]([N+:6]1=[C:2]=[N:3][N:4]([H:9])[N-:5]1)([H:7])[H:8],"InChI=1S/CH3N5/c2-1-3-5-6-4-1/h(H3,2,3,4,5,6)","InChI=1S/CH3N5/c2-6-1-3-4-5-6/h4H,(H2,2,5)",124.17623,65.8442,
1180,[C:1]([C:2]12[C:3]([H:10])([H:11])[C:4]([H:12])([C:5]1([H:13])[H:14])[C:6]2([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]([H:10])[H:11])[C:6]([C:4](=[C:5]([H:13])[H:14])[H:12])([H:15])[H:16])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-6-2-5(3-6)4-6/h5H,2-4H2,1H3","InChI=1S/C6H10/c1-4-5-6(2)3/h4H,1-2,5H2,3H3",52.37105,-24.89122,
1181,[C:1]([C:2]12[C:3]([H:10])([H:11])[C:4]([H:12])([C:5]1([H:13])[H:14])[C:6]2([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([C:3]([C+:2]1[C:5]([H:13])([H:14])[C-:4]([H:12])[C:6]1([H:15])[H:16])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-6-2-5(3-6)4-6/h5H,2-4H2,1H3","InChI=1S/C6H10/c1-2-6-4-3-5-6/h3H,2,4-5H2,1H3",97.5448,58.66474,
1182,[C:1]([C:2]12[C:3]([H:10])([H:11])[C:4]([H:12])([C:5]1([H:13])[H:14])[C:6]2([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([C:2]1([C:6]([H:12])([H:15])[H:16])[C:3]([H:10])([H:11])[C:4][C:5]1([H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-6-2-5(3-6)4-6/h5H,2-4H2,1H3","InChI=1S/C6H10/c1-6(2)4-3-5-6/h4-5H2,1-2H3",65.01809,55.12372,
1183,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@@:4]2([H:11])[O:5][C@@:6]12[H:12])[H:7],[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@@:4]([C:6][H:12])([H:11])[O:5]1)[H:7],"InChI=1S/C4H6O2/c5-2-1-3-4(2)6-3/h2-5H,1H2/t2-,3+,4-/m0/s1","InChI=1S/C4H6O2/c1-3-2-4(5)6-3/h1,3-5H,2H2/t3-,4+/m0/s1",78.38707,63.94908,
1184,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@@:4]2([H:11])[O:5][C@@:6]12[H:12])[H:7],[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@@:4]1([C:6](=[O:5])[H:12])[H:11])[H:7],"InChI=1S/C4H6O2/c5-2-1-3-4(2)6-3/h2-5H,1H2/t2-,3+,4-/m0/s1","InChI=1S/C4H6O2/c5-2-3-1-4(3)6/h2-4,6H,1H2/t3-,4+/m1/s1",33.77097,-22.99435,
1185,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@@:4]2([H:11])[O:5][C@@:6]12[H:12])[H:7],[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[O:5][C@@:6]1([C:4][H:11])[H:12])[H:7],"InChI=1S/C4H6O2/c5-2-1-3-4(2)6-3/h2-5H,1H2/t2-,3+,4-/m0/s1","InChI=1S/C4H6O2/c1-3-4(5)2-6-3/h1,3-5H,2H2/t3-,4+/m1/s1",97.48850999999999,73.94668,
1186,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@@:4]2([H:11])[O:5][C@@:6]12[H:12])[H:7],[O:1]([C:2]([C:3]([C@@:4]1([H:11])[O+:5]=[C-:6]1)([H:9])[H:10])([H:8])[H:12])[H:7],"InChI=1S/C4H6O2/c5-2-1-3-4(2)6-3/h2-5H,1H2/t2-,3+,4-/m0/s1","InChI=1S/C4H6O2/c5-2-1-4-3-6-4/h4-5H,1-2H2/t4-/m1/s1",50.23223,32.30856,
1187,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@@:4]2([H:11])[O:5][C@@:6]12[H:12])[H:7],[H:7][H:8].[O:1]=[C:2]1[C:3]([H:9])([H:10])[C@@:4]2([H:11])[O:5][C@@:6]12[H:12],"InChI=1S/C4H6O2/c5-2-1-3-4(2)6-3/h2-5H,1H2/t2-,3+,4-/m0/s1","InChI=1S/C4H4O2.H2/c5-2-1-3-4(2)6-3;/h3-4H,1H2;1H/t3-,4+;/m1./s1",82.03282,18.04984,
1188,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@@:4]2([H:11])[O:5][C@@:6]12[H:12])[H:7],[C:2]1([H:8])=[C:3]([H:9])[C@@:4]2([H:11])[O:5][C@@:6]12[H:12].[O:1]([H:7])[H:10],"InChI=1S/C4H6O2/c5-2-1-3-4(2)6-3/h2-5H,1H2/t2-,3+,4-/m0/s1","InChI=1S/C4H4O.H2O/c1-2-4-3(1)5-4;/h1-4H;1H2/t3-,4+;",72.54783,34.53918,"1,3_Insertion_ROR"
1189,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@@:4]2([H:11])[O:5][C@@:6]12[H:12])[H:7],[O:1]([C:2][C:3]([C@@:4]1([H:11])[O:5][C:6]1([H:8])[H:12])([H:9])[H:10])[H:7],"InChI=1S/C4H6O2/c5-2-1-3-4(2)6-3/h2-5H,1H2/t2-,3+,4-/m0/s1","InChI=1S/C4H6O2/c5-2-1-4-3-6-4/h4-5H,1,3H2/t4-/m1/s1",57.54088,39.04121,
1190,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@@:4]2([H:11])[O:5][C@@:6]12[H:12])[H:7],[O:1]=[C:2]([C@@:6]([C:4](=[C:3]([H:9])[H:10])[H:11])([O:5][H:7])[H:12])[H:8],"InChI=1S/C4H6O2/c5-2-1-3-4(2)6-3/h2-5H,1H2/t2-,3+,4-/m0/s1","InChI=1S/C4H6O2/c1-2-4(6)3-5/h2-4,6H,1H2/t4-/m1/s1",33.07082,-25.249679999999998,
1191,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@@:4]2([H:11])[O:5][C@@:6]12[H:12])[H:7],[O:1]([C:2][C@@:6]1([H:12])[C@:4]([C:3]([H:8])([H:9])[H:10])([H:11])[O:5]1)[H:7],"InChI=1S/C4H6O2/c5-2-1-3-4(2)6-3/h2-5H,1H2/t2-,3+,4-/m0/s1","InChI=1S/C4H6O2/c1-3-4(2-5)6-3/h3-5H,1H3/t3-,4+/m1/s1",51.57475,30.8731,
1192,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@@:4]2([H:11])[O:5][C@@:6]12[H:12])[H:7],[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[O+:5]=[C-:6]1)[H:7],"InChI=1S/C4H6O2/c5-2-1-3-4(2)6-3/h2-5H,1H2/t2-,3+,4-/m0/s1","InChI=1S/C4H6O2/c5-4-1-2-6-3-4/h4-5H,1-2H2/t4-/m0/s1",61.37869,14.91194,
1193,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@@:4]2([H:11])[O:5][C@@:6]12[H:12])[H:7],[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@:4]([O:5][H:12])([H:11])[C:6]1)[H:7],"InChI=1S/C4H6O2/c5-2-1-3-4(2)6-3/h2-5H,1H2/t2-,3+,4-/m0/s1","InChI=1S/C4H6O2/c5-3-1-4(6)2-3/h3-6H,1H2/t3-,4+",64.65403,64.26024,
1194,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@@:4]2([H:11])[O:5][C@@:6]12[H:12])[H:7],[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C-:4]=[O+:5][C:6]1([H:11])[H:12])[H:7],"InChI=1S/C4H6O2/c5-2-1-3-4(2)6-3/h2-5H,1H2/t2-,3+,4-/m0/s1","InChI=1S/C4H6O2/c5-4-1-2-6-3-4/h4-5H,1,3H2/t4-/m0/s1",57.98916,13.87991,
1195,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@@:4]2([H:11])[O:5][C@@:6]12[H:12])[H:7],[H:11][H:12].[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C-:4]=[O+:5][C:6]1)[H:7],"InChI=1S/C4H6O2/c5-2-1-3-4(2)6-3/h2-5H,1H2/t2-,3+,4-/m0/s1","InChI=1S/C4H4O2.H2/c5-4-1-2-6-3-4;/h4-5H,1H2;1H/t4-;/m0./s1",106.60779,109.58833999999999,
1196,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@@:4]2([H:11])[O:5][C@@:6]12[H:12])[H:7],[O:1]([C@@:2]([C:3]([H:9])([H:10])[H:11])([C@@:6]1([H:12])[C-:4]=[O+:5]1)[H:8])[H:7],"InChI=1S/C4H6O2/c5-2-1-3-4(2)6-3/h2-5H,1H2/t2-,3+,4-/m0/s1","InChI=1S/C4H6O2/c1-3(5)4-2-6-4/h3-5H,1H3/t3-,4+/m0/s1",55.84398,28.72302,
1197,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@@:4]2([H:11])[O:5][C@@:6]12[H:12])[H:7],[O:1]([C:2]([C:3]([C:4](=[O:5])[H:11])([H:9])[H:10])=[C:6]([H:8])[H:12])[H:7],"InChI=1S/C4H6O2/c5-2-1-3-4(2)6-3/h2-5H,1H2/t2-,3+,4-/m0/s1","InChI=1S/C4H6O2/c1-4(6)2-3-5/h3,6H,1-2H2",55.38831999999999,-34.08363,
1198,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@@:4]2([H:11])[O:5][C@@:6]12[H:12])[H:7],[O:1]1[C@@:2]([C@@:6]([C:4][H:11])([O:5][H:7])[H:12])([H:8])[C:3]1([H:9])[H:10],"InChI=1S/C4H6O2/c5-2-1-3-4(2)6-3/h2-5H,1H2/t2-,3+,4-/m0/s1","InChI=1S/C4H6O2/c1-3(5)4-2-6-4/h1,3-5H,2H2/t3-,4+/m1/s1",91.28392,73.51475,
1199,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@@:4]2([H:11])[O:5][C@@:6]12[H:12])[H:7],[H:8][H:12].[O:1]([C:2]1=[C:6]2[C@@:4]([H:11])([C:3]1([H:9])[H:10])[O:5]2)[H:7],"InChI=1S/C4H6O2/c5-2-1-3-4(2)6-3/h2-5H,1H2/t2-,3+,4-/m0/s1","InChI=1S/C4H4O2.H2/c5-2-1-3-4(2)6-3;/h3,5H,1H2;1H/t3-;/m1./s1",105.45661000000001,86.54171,
1200,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@@:4]2([H:11])[O:5][C@@:6]12[H:12])[H:7],[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4][C@:6]1([O:5][H:11])[H:12])[H:7],"InChI=1S/C4H6O2/c5-2-1-3-4(2)6-3/h2-5H,1H2/t2-,3+,4-/m0/s1","InChI=1S/C4H6O2/c5-3-1-2-4(3)6/h3-6H,1H2/t3-,4+/m0/s1",62.70908000000001,62.48765,
1201,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@@:4]2([H:11])[O:5][C@@:6]12[H:12])[H:7],[O:1]([C@@:2]([C:3]([C:4][H:11])([H:9])[H:10])([C:6](=[O:5])[H:12])[H:8])[H:7],"InChI=1S/C4H6O2/c5-2-1-3-4(2)6-3/h2-5H,1H2/t2-,3+,4-/m0/s1","InChI=1S/C4H6O2/c1-2-4(6)3-5/h1,3-4,6H,2H2/t4-/m0/s1",50.51105,52.93905,
1202,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@@:4]2([H:11])[O:5][C@@:6]12[H:12])[H:7],[O:1](/[C:2](=[C:6](\[O:5][C:4](=[C:3]([H:9])[H:10])[H:11])[H:12])[H:8])[H:7],"InChI=1S/C4H6O2/c5-2-1-3-4(2)6-3/h2-5H,1H2/t2-,3+,4-/m0/s1","InChI=1S/C4H6O2/c1-2-6-4-3-5/h2-5H,1H2/b4-3-",62.09542,-14.927489999999999,
1203,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@@:4]2([H:11])[O:5][C@@:6]12[H:12])[H:7],[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C-:4]([H:11])[O+:5]=[C:6]1[H:12])[H:7],"InChI=1S/C4H6O2/c5-2-1-3-4(2)6-3/h2-5H,1H2/t2-,3+,4-/m0/s1","InChI=1S/C4H6O2/c5-4-1-2-6-3-4/h2-5H,1H2/t4-/m0/s1",44.06815,17.60363,
1204,[C:1]1([H:6])([H:7])[C:2]([H:8])([H:9])[C:3]([H:10])=[C:4]([H:11])[C:5]1([H:12])[H:13],[C:1]1([H:6])([H:7])[C:4]([C:3](=[C:2]([H:8])[H:9])[H:10])([H:11])[C:5]1([H:12])[H:13],"InChI=1S/C5H8/c1-2-4-5-3-1/h1-2H,3-5H2","InChI=1S/C5H8/c1-2-5-3-4-5/h2,5H,1,3-4H2",68.85873000000001,20.93143,
1205,[C:1]1([H:6])([H:7])[C:2]([H:8])([H:9])[C:3]([H:10])=[C:4]([H:11])[C:5]1([H:12])[H:13],[C:1]1([H:6])([H:7])[C:2]([H:8])([H:9])[C:4](=[C:3]([H:10])[H:11])[C:5]1([H:12])[H:13],"InChI=1S/C5H8/c1-2-4-5-3-1/h1-2H,3-5H2",InChI=1S/C5H8/c1-5-3-2-4-5/h1-4H2,94.91033,18.898020000000002,
1206,[C:1]1([H:6])([H:7])[C:2]([H:8])([H:9])[C:3]([H:10])=[C:4]([H:11])[C:5]1([H:12])[H:13],[C:1]1([H:6])([H:7])[C:2]([H:8])([H:9])[C:3]([H:10])([H:11])[C:4][C:5]1([H:12])[H:13],"InChI=1S/C5H8/c1-2-4-5-3-1/h1-2H,3-5H2",InChI=1S/C5H8/c1-2-4-5-3-1/h1-4H2,69.20834,70.98505,Singlet_Carbene_Intra_Disproportionation
1207,[C:1]1([H:6])([H:7])[C:2]([H:8])([H:9])[C:3]([H:10])=[C:4]([H:11])[C:5]1([H:12])[H:13],[C@@:1]1([C:2]([H:6])([H:8])[H:9])([H:7])[C:3]([H:10])=[C:4]([H:11])[C:5]1([H:12])[H:13],"InChI=1S/C5H8/c1-2-4-5-3-1/h1-2H,3-5H2","InChI=1S/C5H8/c1-5-3-2-4-5/h2-3,5H,4H2,1H3/t5-/m1/s1",130.56339,22.32515,
1208,[C:1]1([H:6])([H:7])[C:2]([H:8])([H:9])[C:3]([H:10])=[C:4]([H:11])[C:5]1([H:12])[H:13],[C:1]1([H:6])([H:7])[C:2]([H:8])([H:9])[C:3]([H:10])=[C:4]=[C:5]1[H:13].[H:11][H:12],"InChI=1S/C5H8/c1-2-4-5-3-1/h1-2H,3-5H2","InChI=1S/C5H6.H2/c1-2-4-5-3-1;/h1,5H,2,4H2;1H",97.03899,88.8662,
1209,[C:1]1([H:6])([H:7])[C:2]([H:8])([H:9])[C:3]([H:10])=[C:4]([H:11])[C:5]1([H:12])[H:13],[C:1]([C:5](/[C:4](=[C:3](\[C:2][H:9])[H:10])[H:11])([H:12])[H:13])([H:6])([H:7])[H:8],"InChI=1S/C5H8/c1-2-4-5-3-1/h1-2H,3-5H2","InChI=1S/C5H8/c1-3-5-4-2/h1,3,5H,4H2,2H3/b5-3-",81.74794,87.44324,
1210,[C:1]1([H:6])([H:7])[C:2]([H:8])([H:9])[C:3]([H:10])=[C:4]([H:11])[C:5]1([H:12])[H:13],[C:1]1([H:6])([H:7])[C:2]([H:9])=[C:3]([H:10])[C:4]([H:11])=[C:5]1[H:13].[H:8][H:12],"InChI=1S/C5H8/c1-2-4-5-3-1/h1-2H,3-5H2","InChI=1S/C5H6.H2/c1-2-4-5-3-1;/h1-4H,5H2;1H",50.91827,23.802,
1211,[C:1]1([H:6])([H:7])[C:2]([H:8])([H:9])[C:3]([H:10])=[C:4]([H:11])[C:5]1([H:12])[H:13],[C:1]([C:2]([C:3](=[C:4])[H:10])([H:8])[H:9])([C:5]([H:11])([H:12])[H:13])([H:6])[H:7],"InChI=1S/C5H8/c1-2-4-5-3-1/h1-2H,3-5H2","InChI=1S/C5H8/c1-3-5-4-2/h4H,3,5H2,1H3",75.63986,76.9056,
1212,[C:1]1([H:6])([H:7])[C:2]([H:8])([H:9])[C:3]([H:10])=[C:4]([H:11])[C:5]1([H:12])[H:13],[C:1]([C:5]([C:4](=[C:3]=[C:2]([H:8])[H:9])[H:11])([H:12])[H:13])([H:6])([H:7])[H:10],"InChI=1S/C5H8/c1-2-4-5-3-1/h1-2H,3-5H2","InChI=1S/C5H8/c1-3-5-4-2/h5H,1,4H2,2H3",123.57551000000001,20.607570000000003,
1213,[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([C:4]([H:13])([H:14])[H:15])[C:5](=[O:6])[H:16])([H:7])([H:8])[H:9],[C-:5]#[O+:6].[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])=[C:4]([H:14])[H:15])([H:7])([H:8])[H:9].[H:13][H:16],"InChI=1S/C5H10O/c1-5(2,3)4-6/h4H,1-3H3","InChI=1S/C4H8.CO.H2/c1-4(2)3;1-2;/h1H2,2-3H3;;1H",60.04281999999999,27.97687,
1214,[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([C:4]([H:13])([H:14])[H:15])[C:5](=[O:6])[H:16])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])=[C:5]([O:6][C:4]([H:13])([H:14])[H:15])[H:16])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-5(2,3)4-6/h4H,1-3H3","InChI=1S/C5H10O/c1-5(2)4-6-3/h4H,1-3H3",82.6253,18.15964,ketoenol
1215,[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([C:4]([H:13])([H:14])[H:15])[C:5](=[O:6])[H:16])([H:7])([H:8])[H:9],[C:1]([C:2]1([C:4]([H:13])([H:14])[H:15])[C@:5]([C:3]([H:10])([H:11])[H:12])([H:16])[O:6]1)([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-5(2,3)4-6/h4H,1-3H3","InChI=1S/C5H10O/c1-4-5(2,3)6-4/h4H,1-3H3/t4-/m1/s1",64.38385,17.55558,
1216,[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([C:4]([H:13])([H:14])[H:15])[C:5](=[O:6])[H:16])([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:13].[C:2]([C:3]([H:10])([H:11])[H:12])(=[C:4]([H:14])[H:15])[C:5](=[O:6])[H:16],"InChI=1S/C5H10O/c1-5(2,3)4-6/h4H,1-3H3","InChI=1S/C4H6O.CH4/c1-4(2)3-5;/h3H,1H2,2H3;1H4",105.14336000000002,15.56267,
1217,[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([C:4]([H:13])([H:14])[H:15])[C:5](=[O:6])[H:16])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([C:4]([H:13])([H:14])[H:15])[C:5][O:6][H:16])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-5(2,3)4-6/h4H,1-3H3","InChI=1S/C5H10O/c1-5(2,3)4-6/h6H,1-3H3",81.33381,57.13234,
1218,[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([C:4]([H:13])([H:14])[H:15])[C:5](=[O:6])[H:16])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([C:5](=[O:6])[H:16])([H:10])[H:12])=[C:4]([H:14])[H:15])([H:7])([H:8])[H:9].[H:11][H:13],"InChI=1S/C5H10O/c1-5(2,3)4-6/h4H,1-3H3","InChI=1S/C5H8O.H2/c1-5(2)3-4-6;/h4H,1,3H2,2H3;1H",88.03739,30.610640000000004,
1219,[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([C:4]([H:13])([H:14])[H:15])[C:5](=[O:6])[H:16])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([C:4]([H:13])([H:14])[H:15])[O+:6]=[C-:5][H:16])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-5(2,3)4-6/h4H,1-3H3","InChI=1S/C5H10O/c1-5(2,3)6-4/h4H,1-3H3",107.57184,63.81921,
1220,[O:1]=[C:2]1[C:3]([H:6])([H:7])[N:4]([H:8])[C:5]1([H:9])[H:10],[O:1]=[C:2]([C:3]([N:4]([C:5][H:10])[H:8])([H:6])[H:7])[H:9],"InChI=1S/C3H5NO/c5-3-1-4-2-3/h4H,1-2H2","InChI=1S/C3H5NO/c1-4-2-3-5/h1,3-4H,2H2",45.8316,39.64869,
1221,[O:1]=[C:2]1[C:3]([H:6])([H:7])[N:4]([H:8])[C:5]1([H:9])[H:10],[O-:1][C:2]1=[C:3]([H:7])[N+:4]([H:6])([H:8])[C:5]1([H:9])[H:10],"InChI=1S/C3H5NO/c5-3-1-4-2-3/h4H,1-2H2","InChI=1S/C3H5NO/c5-3-1-4-2-3/h1,4-5H,2H2",57.84814,25.30917,
1222,[O:1]=[C:2]1[C:3]([H:6])([H:7])[N:4]([H:8])[C:5]1([H:9])[H:10],[C:3](=[N:4][H:8])([H:6])[H:7].[O:1]=[C:2]=[C:5]([H:9])[H:10],"InChI=1S/C3H5NO/c5-3-1-4-2-3/h4H,1-2H2","InChI=1S/C2H2O.CH3N/c1-2-3;1-2/h1H2;2H,1H2",44.33084,7.7432,
1223,[O:1]=[C:2]1[C:3]([H:6])([H:7])[N:4]([H:8])[C:5]1([H:9])[H:10],[O:1]([C:2]1=[C:3]([H:7])[N:4]([H:8])[C:5]1([H:9])[H:10])[H:6],"InChI=1S/C3H5NO/c5-3-1-4-2-3/h4H,1-2H2","InChI=1S/C3H5NO/c5-3-1-4-2-3/h1,4-5H,2H2",79.23526,15.52009,ketoenol
1224,[O:1]=[C:2]1[C:3]([H:6])([H:7])[N:4]([H:8])[C:5]1([H:9])[H:10],[C-:3]([N:4]([C+:5]([H:9])[H:10])[H:8])([H:6])[H:7].[O+:1]#[C-:2],"InChI=1S/C3H5NO/c5-3-1-4-2-3/h4H,1-2H2","InChI=1S/C2H5N.CO/c1-3-2;1-2/h3H,1-2H2;",29.047829999999998,27.8044,
1225,[O:1]=[C:2]1[C:3]([H:6])([H:7])[N:4]([H:8])[C:5]1([H:9])[H:10],[H:7][H:8].[O:1]=[C:2]1[C:3]([H:6])=[N:4][C:5]1([H:9])[H:10],"InChI=1S/C3H5NO/c5-3-1-4-2-3/h4H,1-2H2","InChI=1S/C3H3NO.H2/c5-3-1-4-2-3;/h1H,2H2;1H",89.05029,26.060760000000002,
1226,[O:1]=[C:2]1[C:3]([H:6])([H:7])[N:4]([H:8])[C:5]1([H:9])[H:10],[H:9][H:10].[O-:1][C:2]1=[C+:5][N:4]([H:8])[C:3]1([H:6])[H:7],"InChI=1S/C3H5NO/c5-3-1-4-2-3/h4H,1-2H2","InChI=1S/C3H3NO.H2/c5-3-1-4-2-3;/h4H,1H2;1H",72.33995,64.42095,
1227,[O:1]=[C:2]1[C:3]([H:6])([H:7])[N:4]([H:8])[C:5]1([H:9])[H:10],[O:1]1[C-:2]2[C:3]([H:6])([H:7])[N+:4]1([H:8])[C:5]2([H:9])[H:10],"InChI=1S/C3H5NO/c5-3-1-4-2-3/h4H,1-2H2",InChI=1S/C3H4NO/c1-3-2-4(1)5-3/h1-2H2/q-1/p+1,137.15348999999998,138.30942,
1228,[O:1]=[C:2]1[C:3]([H:6])([H:7])[N:4]([H:8])[C:5]1([H:9])[H:10],[O:1]=[C:2]([C:3]([H:6])([H:7])[H:8])[C:5]([N:4])([H:9])[H:10],"InChI=1S/C3H5NO/c5-3-1-4-2-3/h4H,1-2H2","InChI=1S/C3H5NO/c1-3(5)2-4/h2H2,1H3",74.0949,49.81685,
1229,[C:1]([c:2]1[c:3]([H:10])[o:4][c:5]([H:11])[c:6]1[H:12])([H:7])([H:8])[H:9],[C:1](=[C:2]1[C:3]([H:10])=[O+:4][C-:5]([H:11])[C:6]1([H:8])[H:12])([H:7])[H:9],"InChI=1S/C5H6O/c1-5-2-3-6-4-5/h2-4H,1H3","InChI=1S/C5H6O/c1-5-2-3-6-4-5/h3-4H,1-2H2",102.06456,57.39281999999999,
1230,[C:1]([c:2]1[c:3]([H:10])[o:4][c:5]([H:11])[c:6]1[H:12])([H:7])([H:8])[H:9],[C:1]([C:2]1([C:3](=[O:4])[H:10])[C:5]([H:11])=[C:6]1[H:12])([H:7])([H:8])[H:9],"InChI=1S/C5H6O/c1-5-2-3-6-4-5/h2-4H,1H3","InChI=1S/C5H6O/c1-5(4-6)2-3-5/h2-4H,1H3",74.68936,48.28239,ketoenol
1231,[C:1]([c:2]1[c:3]([H:10])[o:4][c:5]([H:11])[c:6]1[H:12])([H:7])([H:8])[H:9],[C:1](=[C:2]1[C:3]([H:8])([H:10])[O:4][C:5]([H:11])=[C:6]1[H:12])([H:7])[H:9],"InChI=1S/C5H6O/c1-5-2-3-6-4-5/h2-4H,1H3","InChI=1S/C5H6O/c1-5-2-3-6-4-5/h2-3H,1,4H2",83.87603,14.882879999999998,
1232,[C:1]([c:2]1[c:3]([H:10])[o:4][c:5]([H:11])[c:6]1[H:12])([H:7])([H:8])[H:9],[C:1](=[C:2]1[C:3]([H:10])=[O+:4][C:5]([H:8])([H:11])[C-:6]1[H:12])([H:7])[H:9],"InChI=1S/C5H6O/c1-5-2-3-6-4-5/h2-4H,1H3","InChI=1S/C5H6O/c1-5-2-3-6-4-5/h2,4H,1,3H2",118.98978000000001,58.66619,
1233,[C:1]([c:2]1[c:3]([H:10])[o:4][c:5]([H:11])[c:6]1[H:12])([H:7])([H:8])[H:9],[C:1]([C:2]1=[C:3]([H:10])[C@:6]1([C:5](=[O:4])[H:11])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C5H6O/c1-5-2-3-6-4-5/h2-4H,1H3","InChI=1S/C5H6O/c1-4-2-5(4)3-6/h2-3,5H,1H3/t5-/m0/s1",73.63731999999999,42.87936,ketoenol
1234,[C:1]([c:2]1[c:3]([H:10])[o:4][c:5]([H:11])[c:6]1[H:12])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3](=[O:4])[H:10])=[C:6]=[C:5]([H:11])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C5H6O/c1-5-2-3-6-4-5/h2-4H,1H3","InChI=1S/C5H6O/c1-3-5(2)4-6/h4H,1H2,2H3",69.48019000000001,25.01509,
1235,[C:1]([c:2]1[c:3]([H:10])[o:4][c:5]([H:11])[c:6]1[H:12])([H:7])([H:8])[H:9],[C:1]([C:3](=[C:2]=[C:6]([C:5](=[O:4])[H:11])[H:12])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H6O/c1-5-2-3-6-4-5/h2-4H,1H3","InChI=1S/C5H6O/c1-2-3-4-5-6/h2,4-5H,1H3",82.76392,25.22186,
1236,[C:1]([c:2]1[c:3]([H:10])[o:4][c:5]([H:11])[c:6]1[H:12])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C-:3]=[O+:4][C:5]([H:11])=[C:6]1[H:12])([H:7])([H:8])[H:9],"InChI=1S/C5H6O/c1-5-2-3-6-4-5/h2-4H,1H3","InChI=1S/C5H6O/c1-5-2-3-6-4-5/h2-3,5H,1H3/t5-/m1/s1",65.72685,62.23965,Singlet_Carbene_Intra_Disproportionation
1237,[C:1]([c:2]1[c:3]([H:10])[o:4][c:5]([H:11])[c:6]1[H:12])([H:7])([H:8])[H:9],[C:1]([C:2]1=[C:3]([H:10])[O+:4]=[C-:5][C:6]1([H:11])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C5H6O/c1-5-2-3-6-4-5/h2-4H,1H3","InChI=1S/C5H6O/c1-5-2-3-6-4-5/h4H,2H2,1H3",65.96186,58.650580000000005,Singlet_Carbene_Intra_Disproportionation
1238,[C:1]([c:2]1[c:3]([H:10])[o:4][c:5]([H:11])[c:6]1[H:12])([H:7])([H:8])[H:9],[C:1]1([H:7])([H:9])[C:2](=[C:6]([C:5](=[O:4])[H:11])[H:12])[C:3]1([H:8])[H:10],"InChI=1S/C5H6O/c1-5-2-3-6-4-5/h2-4H,1H3","InChI=1S/C5H6O/c6-4-3-5-1-2-5/h3-4H,1-2H2",84.14613,31.73615,
1239,[C:1]([c:2]1[c:3]([H:10])[o:4][c:5]([H:11])[c:6]1[H:12])([H:7])([H:8])[H:9],[C:1]([C:2]1=[C:6]([H:12])[C@:5]2([H:11])[C@@:3]1([H:10])[O:4]2)([H:7])([H:8])[H:9],"InChI=1S/C5H6O/c1-5-2-3-6-4-5/h2-4H,1H3","InChI=1S/C5H6O/c1-3-2-4-5(3)6-4/h2,4-5H,1H3/t4-,5+/m1/s1",100.15614000000001,65.29549,Intra_2+2_cycloaddition_Cd
1240,[C:1]([c:2]1[c:3]([H:10])[o:4][c:5]([H:11])[c:6]1[H:12])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]=[O:4])[H:10])([H:7])([H:8])[H:9].[C:5](#[C:6][H:12])[H:11],"InChI=1S/C5H6O/c1-5-2-3-6-4-5/h2-4H,1H3","InChI=1S/C3H4O.C2H2/c1-2-3-4;1-2/h2H,1H3;1-2H",107.40827,56.58217,
1241,[C:1]([c:2]1[c:3]([H:10])[o:4][c:5]([H:11])[c:6]1[H:12])([H:7])([H:8])[H:9],[C:1](/[C:2](=[C:3](/[O:4][C:6]#[C:5][H:11])[H:10])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C5H6O/c1-5-2-3-6-4-5/h2-4H,1H3","InChI=1S/C5H6O/c1-3-5-6-4-2/h2-3,5H,1H3/b5-3+",129.80897,57.81519,
1242,[C:1]([N:2]([C:3]([H:10])([H:11])[H:12])[C:4]([C:5](=[O:6])[H:15])([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]([N:2]1[C:4]([H:13])([H:14])[C@:5]1([O:6][C:3]([H:10])([H:11])[H:12])[H:15])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-5(2)3-4-6/h4H,3H2,1-2H3","InChI=1S/C4H9NO/c1-5-3-4(5)6-2/h4H,3H2,1-2H3/t4-,5?/m1/s1",81.29163,22.64581,
1243,[C:1]([N:2]([C:3]([H:10])([H:11])[H:12])[C:4]([C:5](=[O:6])[H:15])([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]([N+:2]([C:3]([H:10])([H:11])[H:12])([C:4](=[C:5]([O-:6])[H:15])[H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-5(2)3-4-6/h4H,3H2,1-2H3","InChI=1S/C4H9NO/c1-5(2)3-4-6/h3-4,6H,1-2H3",59.828469999999996,29.86835,
1244,[C:1]([N:2]([C:3]([H:10])([H:11])[H:12])[C:4]([C:5](=[O:6])[H:15])([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]([N:2]=[C:3]([H:10])[H:12])([H:7])([H:8])[H:9].[C:4](=[C:5]([O:6][H:11])[H:15])([H:13])[H:14],"InChI=1S/C4H9NO/c1-5(2)3-4-6/h4H,3H2,1-2H3","InChI=1S/C2H5N.C2H4O/c1-3-2;1-2-3/h1H2,2H3;2-3H,1H2",43.95935,13.98185,Retroene
1245,[C:1]([N:2]([C:3]([H:10])([H:11])[H:12])[C:4]([C:5](=[O:6])[H:15])([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]([N:2]([C:3]([H:10])([H:11])[H:12])[C:4]([C:5][O:6][H:15])([H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-5(2)3-4-6/h4H,3H2,1-2H3","InChI=1S/C4H9NO/c1-5(2)3-4-6/h6H,3H2,1-2H3",81.70931999999999,55.882940000000005,
1246,[C:1]([N:2]([C:3]([H:10])([H:11])[H:12])[C:4]([C:5](=[O:6])[H:15])([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]([N+:2]([C-:3]([H:10])[H:12])=[C:4]([H:13])[H:14])([H:7])([H:8])[H:9].[C:5](=[O:6])([H:11])[H:15],"InChI=1S/C4H9NO/c1-5(2)3-4-6/h4H,3H2,1-2H3","InChI=1S/C3H7N.CH2O/c1-4(2)3;1-2/h1-2H2,3H3;1H2",46.95519,52.099070000000005,
1247,[C:1]([N:2]([C:3]([H:10])([H:11])[H:12])[C:4]([C:5](=[O:6])[H:15])([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]([N:2]([C:3]([H:10])([H:11])[H:12])/[C:4](=[C:5](/[O:6][H:14])[H:15])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-5(2)3-4-6/h4H,3H2,1-2H3","InChI=1S/C4H9NO/c1-5(2)3-4-6/h3-4,6H,1-2H3/b4-3+",62.031980000000004,4.9643,ketoenol
1248,[C:1]([N:2]([C:3]([H:10])([H:11])[H:12])[C:4]([C:5](=[O:6])[H:15])([H:13])[H:14])([H:7])([H:8])[H:9],[C:1](=[N+:2]([C:3]([H:10])([H:11])[H:12])[C:4](=[C:5]([O-:6])[H:15])[H:13])([H:8])[H:9].[H:7][H:14],"InChI=1S/C4H9NO/c1-5(2)3-4-6/h4H,3H2,1-2H3","InChI=1S/C4H7NO.H2/c1-5(2)3-4-6;/h3-4H,1H2,2H3;1H",49.62968,34.69463,
1249,[C:1]([N:2]([C:3]([H:10])([H:11])[H:12])[C:4]([C:5](=[O:6])[H:15])([H:13])[H:14])([H:7])([H:8])[H:9],[C:1](=[N+:2]([C:3]([H:10])([H:11])[H:12])[C:4]([C:5]([O-:6])([H:7])[H:15])([H:13])[H:14])([H:8])[H:9],"InChI=1S/C4H9NO/c1-5(2)3-4-6/h4H,3H2,1-2H3","InChI=1S/C4H9NO/c1-5(2)3-4-6/h1,3-4H2,2H3",46.96054,46.24394,
1250,[C:1]([N:2]([C:3]([H:10])([H:11])[H:12])[C:4]([C:5](=[O:6])[H:15])([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]([N:2]1[C:3]([H:10])([H:12])[O:6][C:5]([H:11])([H:15])[C:4]1([H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-5(2)3-4-6/h4H,3H2,1-2H3","InChI=1S/C4H9NO/c1-5-2-3-6-4-5/h2-4H2,1H3",88.1591,3.1493700000000002,
1251,[C:1]([N:2]([C:3]([H:10])([H:11])[H:12])[C:4]([C:5](=[O:6])[H:15])([H:13])[H:14])([H:7])([H:8])[H:9],[C-:1]([N+:2](=[C:3]([H:10])[H:12])[C:4]([C:5](=[O:6])[H:15])([H:13])[H:14])([H:8])[H:9].[H:7][H:11],"InChI=1S/C4H9NO/c1-5(2)3-4-6/h4H,3H2,1-2H3","InChI=1S/C4H7NO.H2/c1-5(2)3-4-6;/h4H,1-3H2;1H",58.5361,52.36795,
1252,[C:1]([N:2]([C:3]([H:10])([H:11])[H:12])[C:4]([C:5](=[O:6])[H:15])([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]([N:2]([C:3]([H:10])([H:11])[H:12])[O:6][C:5](=[C:4]([H:13])[H:14])[H:15])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-5(2)3-4-6/h4H,3H2,1-2H3","InChI=1S/C4H9NO/c1-4-6-5(2)3/h4H,1H2,2-3H3",73.22766,36.94834,ketoenol
1253,[C:1]1([H:7])([H:8])[O:2][C:3]12[C:4]([H:9])([H:10])[O:5][C:6]2([H:11])[H:12],[C-:1](=[O+:2][C:3]1([H:8])[C:4]([H:9])([H:10])[O:5][C:6]1([H:11])[H:12])[H:7],InChI=1S/C4H6O2/c1-4(2-5-1)3-6-4/h1-3H2,"InChI=1S/C4H6O2/c1-5-4-2-6-3-4/h1,4H,2-3H2",76.39296,46.29677,
1254,[C:1]1([H:7])([H:8])[O:2][C:3]12[C:4]([H:9])([H:10])[O:5][C:6]2([H:11])[H:12],[C:1]1([H:7])([H:8])[O:2][C:3]12[C-:4]([H:10])[O+:5]=[C:6]2[H:11].[H:9][H:12],InChI=1S/C4H6O2/c1-4(2-5-1)3-6-4/h1-3H2,"InChI=1S/C4H4O2.H2/c1-4(2-5-1)3-6-4;/h1-2H,3H2;1H",84.32539,80.39508000000001,
1255,[C:1]1([H:7])([H:8])[O:2][C:3]12[C:4]([H:9])([H:10])[O:5][C:6]2([H:11])[H:12],[C-:1]([O+:2]=[C:3]1[C:4]([H:9])([H:10])[O:5][C:6]1([H:11])[H:12])([H:7])[H:8],InChI=1S/C4H6O2/c1-4(2-5-1)3-6-4/h1-3H2,InChI=1S/C4H6O2/c1-5-4-2-6-3-4/h1-3H2,54.66738,42.69875,
1256,[C:1]1([H:7])([H:8])[O:2][C:3]12[C:4]([H:9])([H:10])[O:5][C:6]2([H:11])[H:12],[C:1]([C:3]1([O:2][H:7])[C:4]([H:9])([H:10])[O:5][C:6]1([H:11])[H:12])[H:8],InChI=1S/C4H6O2/c1-4(2-5-1)3-6-4/h1-3H2,"InChI=1S/C4H6O2/c1-4(5)2-6-3-4/h1,5H,2-3H2",68.67378000000001,66.34725999999999,
1257,[C:1]1([H:7])([H:8])[O:2][C:3]12[C:4]([H:9])([H:10])[O:5][C:6]2([H:11])[H:12],[C+:1](=[C:3]([O-:2])[C:4]([O:5][C:6]([H:7])([H:11])[H:12])([H:9])[H:10])[H:8],InChI=1S/C4H6O2/c1-4(2-5-1)3-6-4/h1-3H2,"InChI=1S/C4H6O2/c1-4(5)3-6-2/h1H,3H2,2H3",97.16309,42.774570000000004,
1258,[C:1]1([H:7])([H:8])[O:2][C:3]12[C:4]([H:9])([H:10])[O:5][C:6]2([H:11])[H:12],[C:1](=[O:2])([H:7])[H:8].[C:3]1([H:9])=[C:4]([H:10])[O:5][C:6]1([H:11])[H:12],InChI=1S/C4H6O2/c1-4(2-5-1)3-6-4/h1-3H2,"InChI=1S/C3H4O.CH2O/c1-2-4-3-1;1-2/h1-2H,3H2;1H2",64.41601999999999,9.71739,
1259,[C:1]1([H:7])([H:8])[O:2][C:3]12[C:4]([H:9])([H:10])[O:5][C:6]2([H:11])[H:12],[C:1]1([H:7])([H:8])[O:2][C@:3]1([C:4]([O:5][H:11])([H:9])[H:10])[C:6][H:12],InChI=1S/C4H6O2/c1-4(2-5-1)3-6-4/h1-3H2,"InChI=1S/C4H6O2/c1-4(2-5)3-6-4/h1,5H,2-3H2/t4-/m0/s1",72.55936,70.55853,
1260,[C:1]1([H:7])([H:8])[O:2][C:3]12[C:4]([H:9])([H:10])[O:5][C:6]2([H:11])[H:12],[C:1]1([H:7])([H:8])[O:2][C@@:3]12[C:4]([H:9])([H:10])[O+:5]=[C-:6]2.[H:11][H:12],InChI=1S/C4H6O2/c1-4(2-5-1)3-6-4/h1-3H2,"InChI=1S/C4H4O2.H2/c1-4(2-5-1)3-6-4;/h1,3H2;1H/t4-;/m1./s1",77.62482,71.19295,
1261,[C:1]1([H:7])([H:8])[O:2][C:3]12[C:4]([H:9])([H:10])[O:5][C:6]2([H:11])[H:12],[C:1]1([H:7])=[O+:2][C@@:3]12[C:4]([H:9])([H:10])[O:5][C-:6]2[H:11].[H:8][H:12],InChI=1S/C4H6O2/c1-4(2-5-1)3-6-4/h1-3H2,"InChI=1S/C4H4O2.H2/c1-4(2-5-1)3-6-4;/h1,3H,2H2;1H/t4-;/m0./s1",114.42837,84.42071999999999,
1262,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]1([C:5]([H:13])([H:14])[H:15])[C:6]([H:16])([H:17])[H:18])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([C:4](=[C:5]([H:13])[H:15])[C:6]([H:16])([H:17])[H:18])([H:11])[H:12])([H:8])[H:10])([H:7])([H:9])[H:14],"InChI=1S/C6H12/c1-5-4-6(5,2)3/h5H,4H2,1-3H3/t5-/m0/s1","InChI=1S/C6H12/c1-4-5-6(2)3/h2,4-5H2,1,3H3",77.95384,-6.499569999999999,
1263,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]1([C:5]([H:13])([H:14])[H:15])[C:6]([H:16])([H:17])[H:18])([H:7])([H:8])[H:9],[C:1]([C:2][C:3]([C:4]([C:5]([H:13])([H:14])[H:15])([C:6]([H:16])([H:17])[H:18])[H:10])([H:11])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C6H12/c1-5-4-6(5,2)3/h5H,4H2,1-3H3/t5-/m0/s1","InChI=1S/C6H12/c1-4-5-6(2)3/h6H,5H2,1-3H3",65.8973,70.69031,
1264,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]1([C:5]([H:13])([H:14])[H:15])[C:6]([H:16])([H:17])[H:18])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:11])=[C:4]1[C:5]([H:13])([H:14])[H:15])([H:7])([H:8])[H:9].[C:6]([H:12])([H:16])([H:17])[H:18],"InChI=1S/C6H12/c1-5-4-6(5,2)3/h5H,4H2,1-3H3/t5-/m0/s1","InChI=1S/C5H8.CH4/c1-4-3-5(4)2;/h3-4H,1-2H3;1H4/t4-;/m0./s1",114.19832,37.26341,
1265,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]1([C:5]([H:13])([H:14])[H:15])[C:6]([H:16])([H:17])[H:18])([H:7])([H:8])[H:9],[C:1]([C@@:2]([C:3]([C:5]([H:13])([H:14])[H:15])([H:11])[H:12])([C:4][C:6]([H:16])([H:17])[H:18])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C6H12/c1-5-4-6(5,2)3/h5H,4H2,1-3H3/t5-/m0/s1","InChI=1S/C6H12/c1-4-6(3)5-2/h6H,4H2,1-3H3/t6-/m0/s1",94.19388000000001,70.52816999999999,
1266,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]1([C:5]([H:13])([H:14])[H:15])[C:6]([H:16])([H:17])[H:18])([H:7])([H:8])[H:9],[C:1](=[C:2]1[C:3]([H:11])([H:12])[C:4]1([C:5]([H:13])([H:14])[H:15])[C:6]([H:16])([H:17])[H:18])([H:7])[H:9].[H:8][H:10],"InChI=1S/C6H12/c1-5-4-6(5,2)3/h5H,4H2,1-3H3/t5-/m0/s1","InChI=1S/C6H10.H2/c1-5-4-6(5,2)3;/h1,4H2,2-3H3;1H",111.05525,37.075990000000004,
1267,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]1([C:5]([H:13])([H:14])[H:15])[C:6]([H:16])([H:17])[H:18])([H:7])([H:8])[H:9],[C:1](=[C:2]([C:3]([C:4](=[C:5]([H:13])[H:15])[C:6]([H:16])([H:17])[H:18])([H:11])[H:12])[H:10])([H:7])[H:9].[H:8][H:14],"InChI=1S/C6H12/c1-5-4-6(5,2)3/h5H,4H2,1-3H3/t5-/m0/s1","InChI=1S/C6H10.H2/c1-4-5-6(2)3;/h4H,1-2,5H2,3H3;1H",52.89065,25.28821,
1268,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]1([C:5]([H:13])([H:14])[H:15])[C:6]([H:16])([H:17])[H:18])([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:10].[C:2]1[C:3]([H:11])([H:12])[C:4]1([C:5]([H:13])([H:14])[H:15])[C:6]([H:16])([H:17])[H:18],"InChI=1S/C6H12/c1-5-4-6(5,2)3/h5H,4H2,1-3H3/t5-/m0/s1","InChI=1S/C5H8.CH4/c1-5(2)3-4-5;/h3H2,1-2H3;1H4",87.84145,92.1812,
1269,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]1([C:5]([H:13])([H:14])[H:15])[C:6]([H:16])([H:17])[H:18])([H:7])([H:8])[H:9],[C:1](=[C:2]([C:3](=[C:4]([C:5]([H:13])([H:14])[H:15])[C:6]([H:16])([H:17])[H:18])[H:12])[H:10])([H:7])[H:9].[H:8][H:11],"InChI=1S/C6H12/c1-5-4-6(5,2)3/h5H,4H2,1-3H3/t5-/m0/s1","InChI=1S/C6H10.H2/c1-4-5-6(2)3;/h4-5H,1H2,2-3H3;1H",93.88586,20.166220000000003,
1270,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]1([C:5]([H:13])([H:14])[H:15])[C:6]([H:16])([H:17])[H:18])([H:7])([H:8])[H:9],[C:1]([C:2][C:4]([C:3]([H:10])([H:11])[H:12])([C:5]([H:13])([H:14])[H:15])[C:6]([H:16])([H:17])[H:18])([H:7])([H:8])[H:9],"InChI=1S/C6H12/c1-5-4-6(5,2)3/h5H,4H2,1-3H3/t5-/m0/s1","InChI=1S/C6H12/c1-5-6(2,3)4/h1-4H3",67.14931,69.24756,
1271,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]1([C:5]([H:13])([H:14])[H:15])[C:6]([H:16])([H:17])[H:18])([H:7])([H:8])[H:9],[C:1]([C:2]1=[C:4]([C:5]([H:13])([H:14])[H:15])[C:3]1([H:11])[H:12])([H:7])([H:8])[H:9].[C:6]([H:10])([H:16])([H:17])[H:18],"InChI=1S/C6H12/c1-5-4-6(5,2)3/h5H,4H2,1-3H3/t5-/m0/s1","InChI=1S/C5H8.CH4/c1-4-3-5(4)2;/h3H2,1-2H3;1H4",113.11355,33.527229999999996,
1272,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]1([C:5]([H:13])([H:14])[H:15])[C:6]([H:16])([H:17])[H:18])([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:11].[C:2]1([H:10])=[C:3]([H:12])[C:4]1([C:5]([H:13])([H:14])[H:15])[C:6]([H:16])([H:17])[H:18],"InChI=1S/C6H12/c1-5-4-6(5,2)3/h5H,4H2,1-3H3/t5-/m0/s1","InChI=1S/C5H8.CH4/c1-5(2)3-4-5;/h3-4H,1-2H3;1H4",115.37833,41.2631,
1273,[O:1]([C:2]([C:3]([O:4]/[C:5](=[N:6]/[H:13])[H:12])([H:10])[H:11])([H:8])[H:9])[H:7],[O:1]1[C:2]([H:8])([H:9])[C:3]([H:10])([H:11])[O:4][C:5]1([N:6]([H:7])[H:13])[H:12],"InChI=1S/C3H7NO2/c4-3-6-2-1-5/h3-5H,1-2H2/b4-3+","InChI=1S/C3H7NO2/c4-3-5-1-2-6-3/h3H,1-2,4H2",34.72068,7.18807,
1274,[O:1]([C:2]([C:3]([O:4]/[C:5](=[N:6]/[H:13])[H:12])([H:10])[H:11])([H:8])[H:9])[H:7],[O:1]([C:2]([N:6]([C:5](=[O+:4][C-:3]([H:10])[H:11])[H:12])[H:13])([H:8])[H:9])[H:7],"InChI=1S/C3H7NO2/c4-3-6-2-1-5/h3-5H,1-2H2/b4-3+","InChI=1S/C3H7NO2/c1-6-3-4-2-5/h3-5H,1-2H2",82.24972,67.62755,
1275,[O:1]([C:2]([C:3]([O:4]/[C:5](=[N:6]/[H:13])[H:12])([H:10])[H:11])([H:8])[H:9])[H:7],[O:1]([C:2]([C:3]([N:6]([C:5](=[O:4])[H:12])[H:13])([H:10])[H:11])([H:8])[H:9])[H:7],"InChI=1S/C3H7NO2/c4-3-6-2-1-5/h3-5H,1-2H2/b4-3+","InChI=1S/C3H7NO2/c5-2-1-4-3-6/h3,5H,1-2H2,(H,4,6)",42.56902,-10.19818,ketoenol
1276,[O:1]([C:2]([C:3]([O:4]/[C:5](=[N:6]/[H:13])[H:12])([H:10])[H:11])([H:8])[H:9])[H:7],[C:2]1([H:8])([H:9])[C:3]([H:10])([H:11])[O:4][C:5]([H:12])=[N:6]1.[O:1]([H:7])[H:13],"InChI=1S/C3H7NO2/c4-3-6-2-1-5/h3-5H,1-2H2/b4-3+","InChI=1S/C3H5NO.H2O/c1-2-5-3-4-1;/h3H,1-2H2;1H2",66.27314,5.79697,
1277,[O:1]([C:2]([C:3]([O:4]/[C:5](=[N:6]/[H:13])[H:12])([H:10])[H:11])([H:8])[H:9])[H:7],[C:2]1([H:8])([H:9])[C:3]([H:10])([H:11])[O:4]/[C:5]1=[N:6]/[H:13].[O:1]([H:7])[H:12],"InChI=1S/C3H7NO2/c4-3-6-2-1-5/h3-5H,1-2H2/b4-3+","InChI=1S/C3H5NO.H2O/c4-3-1-2-5-3;/h4H,1-2H2;1H2/b4-3+;",82.71703000000001,14.247079999999999,
1278,[O:1]([C:2]([C:3]([O:4]/[C:5](=[N:6]/[H:13])[H:12])([H:10])[H:11])([H:8])[H:9])[H:7],[C:3](=[O:4])([H:10])[H:11].[O:1]([C:2](/[C:5](=[N:6]/[H:13])[H:12])([H:8])[H:9])[H:7],"InChI=1S/C3H7NO2/c4-3-6-2-1-5/h3-5H,1-2H2/b4-3+","InChI=1S/C2H5NO.CH2O/c3-1-2-4;1-2/h1,3-4H,2H2;1H2/b3-1+;",92.63393,23.697210000000002,
1279,[O:1]([C:2]([C:3]([O:4]/[C:5](=[N:6]/[H:13])[H:12])([H:10])[H:11])([H:8])[H:9])[H:7],[O:1]([C@@:2]1([H:8])[C:3]([H:10])([H:11])[O:4][C:5]([H:9])([H:12])[N:6]1[H:13])[H:7],"InChI=1S/C3H7NO2/c4-3-6-2-1-5/h3-5H,1-2H2/b4-3+","InChI=1S/C3H7NO2/c5-3-1-6-2-4-3/h3-5H,1-2H2/t3-/m0/s1",80.6729,7.798780000000001,
1280,[O:1]([C:2]([C:3]([O:4]/[C:5](=[N:6]/[H:13])[H:12])([H:10])[H:11])([H:8])[H:9])[H:7],[C:5](#[N:6])[H:12].[H:11][H:13].[O:1]([C:2]([C:3](=[O:4])[H:10])([H:8])[H:9])[H:7],"InChI=1S/C3H7NO2/c4-3-6-2-1-5/h3-5H,1-2H2/b4-3+","InChI=1S/C2H4O2.CHN.H2/c3-1-2-4;1-2;/h1,4H,2H2;1H;1H",59.11366999999999,36.1554,
1281,[O:1]([C:2]([C:3]([O:4]/[C:5](=[N:6]/[H:13])[H:12])([H:10])[H:11])([H:8])[H:9])[H:7],[H:8][H:13].[O:1]=[C:2]([C:3]([O:4]/[C:5](=[N:6]\[H:7])[H:12])([H:10])[H:11])[H:9],"InChI=1S/C3H7NO2/c4-3-6-2-1-5/h3-5H,1-2H2/b4-3+","InChI=1S/C3H5NO2.H2/c4-3-6-2-1-5;/h1,3-4H,2H2;1H/b4-3-;",67.91042,27.310779999999998,
1282,[O:1]([C:2]([C:3]([O:4]/[C:5](=[N:6]/[H:13])[H:12])([H:10])[H:11])([H:8])[H:9])[H:7],[O:1]([C:2]([C:3]([O+:4]=[C-:5][N:6]([H:12])[H:13])([H:10])[H:11])([H:8])[H:9])[H:7],"InChI=1S/C3H7NO2/c4-3-6-2-1-5/h3-5H,1-2H2/b4-3+","InChI=1S/C3H7NO2/c4-3-6-2-1-5/h5H,1-2,4H2",79.925,37.4836,
1283,[O:1]([C:2]([C:3]([O:4]/[C:5](=[N:6]/[H:13])[H:12])([H:10])[H:11])([H:8])[H:9])[H:7],[O:1]=[C:2]([C:3]([H:9])([H:10])[H:11])[H:8].[O:4]=[C:5]([N:6]([H:7])[H:13])[H:12],"InChI=1S/C3H7NO2/c4-3-6-2-1-5/h3-5H,1-2H2/b4-3+","InChI=1S/C2H4O.CH3NO/c1-2-3;2-1-3/h2H,1H3;1H,(H2,2,3)",30.864959999999996,-7.273110000000001,
1284,[O:1]([C:2]([C:3]([O:4]/[C:5](=[N:6]/[H:13])[H:12])([H:10])[H:11])([H:8])[H:9])[H:7],[O:1]([C:2]([O:4][C:3]([N:6]([C:5][H:12])[H:13])([H:10])[H:11])([H:8])[H:9])[H:7],"InChI=1S/C3H7NO2/c4-3-6-2-1-5/h3-5H,1-2H2/b4-3+","InChI=1S/C3H7NO2/c1-4-2-6-3-5/h1,4-5H,2-3H2",118.88484,53.674569999999996,
1285,[O:1]([C:2]([C:3]([O:4]/[C:5](=[N:6]/[H:13])[H:12])([H:10])[H:11])([H:8])[H:9])[H:7],[O:1]([C@@:2]1([H:8])[C:3]([H:10])([H:11])[O:4][C@:5]1([N:6]([H:7])[H:13])[H:12])[H:9],"InChI=1S/C3H7NO2/c4-3-6-2-1-5/h3-5H,1-2H2/b4-3+","InChI=1S/C3H7NO2/c4-3-2(5)1-6-3/h2-3,5H,1,4H2/t2-,3+/m0/s1",91.87854,20.128220000000002,
1286,[O:1]([C:2]([C:3]([O:4]/[C:5](=[N:6]/[H:13])[H:12])([H:10])[H:11])([H:8])[H:9])[H:7],[O:1]1[C:2]([H:8])([H:9])[C:3]1([H:10])[H:11].[O:4]=[C:5]([N:6]([H:7])[H:13])[H:12],"InChI=1S/C3H7NO2/c4-3-6-2-1-5/h3-5H,1-2H2/b4-3+","InChI=1S/C2H4O.CH3NO/c1-2-3-1;2-1-3/h1-2H2;1H,(H2,2,3)",46.07212,20.22758,
1287,[O:1]([C:2]([C:3]([O:4]/[C:5](=[N:6]/[H:13])[H:12])([H:10])[H:11])([H:8])[H:9])[H:7],[O:1]=[C:2]([C:3]([O:4][C:5]([N:6]([H:7])[H:13])([H:8])[H:12])([H:10])[H:11])[H:9],"InChI=1S/C3H7NO2/c4-3-6-2-1-5/h3-5H,1-2H2/b4-3+","InChI=1S/C3H7NO2/c4-3-6-2-1-5/h1H,2-4H2",39.19792,13.95292,
1288,[O:1]([C:2]([C:3]([O:4]/[C:5](=[N:6]/[H:13])[H:12])([H:10])[H:11])([H:8])[H:9])[H:7],[C:3](=[O:4])([H:10])[H:11].[C:5](#[N:6])[H:12].[O:1]([C:2]([H:8])([H:9])[H:13])[H:7],"InChI=1S/C3H7NO2/c4-3-6-2-1-5/h3-5H,1-2H2/b4-3+","InChI=1S/CHN.CH4O.CH2O/c3*1-2/h1H;2H,1H3;1H2",75.63728,38.91786,
1289,[N:1]#[C:2][C@@:3]1([H:6])[C:4]([H:7])([H:8])[O:5]1,[N+:1](#[C-:2])[C@@:3]1([H:6])[C:4]([H:7])([H:8])[O:5]1,"InChI=1S/C3H3NO/c4-1-3-2-5-3/h3H,2H2/t3-/m0/s1","InChI=1S/C3H3NO/c1-4-3-2-5-3/h3H,2H2/t3-/m1/s1",55.39408,23.04586,
1290,[N:1]#[C:2][C@@:3]1([H:6])[C:4]([H:7])([H:8])[O:5]1,[N-:1]=[C:2]=[C+:3][C:4]([O:5][H:6])([H:7])[H:8],"InChI=1S/C3H3NO/c4-1-3-2-5-3/h3H,2H2/t3-/m0/s1","InChI=1S/C3H3NO/c4-2-1-3-5/h5H,3H2",61.13796,51.40354,
1291,[N:1]#[C:2][C@@:3]1([H:6])[C:4]([H:7])([H:8])[O:5]1,[N:1]#[C:2][C:4]([O+:5]=[C-:3][H:6])([H:7])[H:8],"InChI=1S/C3H3NO/c4-1-3-2-5-3/h3H,2H2/t3-/m0/s1","InChI=1S/C3H3NO/c1-5-3-2-4/h1H,3H2",61.93467,49.54238,
1292,[N:1]#[C:2][C@@:3]1([H:6])[C:4]([H:7])([H:8])[O:5]1,[N:1]#[C:2][C:4]([C:3](=[O:5])[H:6])([H:7])[H:8],"InChI=1S/C3H3NO/c4-1-3-2-5-3/h3H,2H2/t3-/m0/s1","InChI=1S/C3H3NO/c4-2-1-3-5/h3H,1H2",60.82264,-24.45269,
1293,[N:1]#[C:2][C@@:3]1([H:6])[C:4]([H:7])([H:8])[O:5]1,[N:1]#[C:2][C@@:3]([C:4][H:7])([O:5][H:8])[H:6],"InChI=1S/C3H3NO/c4-1-3-2-5-3/h3H,2H2/t3-/m0/s1","InChI=1S/C3H3NO/c1-3(5)2-4/h1,3,5H/t3-/m1/s1",71.15253,69.58797,
1294,[N:1]#[C:2][C@@:3]1([H:6])[C:4]([H:7])([H:8])[O:5]1,[N-:1]=[C:2]=[C:3]([O+:5]=[C:4]([H:7])[H:8])[H:6],"InChI=1S/C3H3NO/c4-1-3-2-5-3/h3H,2H2/t3-/m0/s1","InChI=1S/C3H3NO/c1-5-3-2-4/h3H,1H2",43.51745,27.072020000000002,
1295,[N:1]#[C:2][C@@:3]1([H:6])[C:4]([H:7])([H:8])[O:5]1,[N:1](=[C:2]=[C:3]1[C:4]([H:7])([H:8])[O:5]1)[H:6],"InChI=1S/C3H3NO/c4-1-3-2-5-3/h3H,2H2/t3-/m0/s1","InChI=1S/C3H3NO/c4-1-3-2-5-3/h4H,2H2",103.26355,30.345259999999996,
1296,[N:1]#[C:2][C@@:3]1([H:6])[C:4]([H:7])([H:8])[O:5]1,[N:1](=[C-:2][C@@:3]1([H:6])[C:4]([H:8])=[O+:5]1)[H:7],"InChI=1S/C3H3NO/c4-1-3-2-5-3/h3H,2H2/t3-/m0/s1",InChI=1S/C3H3NO/c4-1-3-2-5-3/h2-4H/t3-/m0/s1,126.1055,74.9514,
1297,[N:1]#[C:2][C@@:3]1([H:6])[C:4]([H:7])([H:8])[O:5]1,[N:1]1=[C:2]=[C:3]([H:6])[O:5][C:4]1([H:7])[H:8],"InChI=1S/C3H3NO/c4-1-3-2-5-3/h3H,2H2/t3-/m0/s1","InChI=1S/C3H3NO/c1-2-5-3-4-1/h2H,3H2",88.86836,49.29481,
1298,[N:1]#[C:2][C@@:3]1([H:6])[C:4]([H:7])([H:8])[O:5]1,[C-:3]1=[O+:5][C:4]1([H:7])[H:8].[N:1]#[C:2][H:6],"InChI=1S/C3H3NO/c4-1-3-2-5-3/h3H,2H2/t3-/m0/s1",InChI=1S/C2H2O.CHN/c1-2-3-1;1-2/h1H2;1H,77.55329,61.002590000000005,
1299,[N:1]#[C:2][C@@:3]1([H:6])[C:4]([H:7])([H:8])[O:5]1,[N+:1](#[C:2][C:3](=[C:4]([H:7])[H:8])[H:6])[O-:5],"InChI=1S/C3H3NO/c4-1-3-2-5-3/h3H,2H2/t3-/m0/s1","InChI=1S/C3H3NO/c1-2-3-4-5/h2H,1H2",81.35597,22.52968,
1300,[N:1]#[C:2][C@@:3]1([H:6])[C:4]([H:7])([H:8])[O:5]1,[N:1]1([H:8])[C:2][C@@:3]2([H:6])[C@:4]1([H:7])[O:5]2,"InChI=1S/C3H3NO/c4-1-3-2-5-3/h3H,2H2/t3-/m0/s1","InChI=1S/C3H3NO/c1-2-3(4-1)5-2/h2-4H/t2-,3-/m0/s1",103.96034,79.3034,
1301,[N:1]#[C:2][C@@:3]1([H:6])[C:4]([H:7])([H:8])[O:5]1,[H:7][H:8].[N:1]#[C:2][C@@:3]1([H:6])[C-:4]=[O+:5]1,"InChI=1S/C3H3NO/c4-1-3-2-5-3/h3H,2H2/t3-/m0/s1",InChI=1S/C3HNO.H2/c4-1-3-2-5-3;/h3H;1H/t3-;/m0./s1,83.67078000000001,64.97372,
1302,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@:3]3([H:10])[C:4]([H:11])([H:12])[N:5]2[C@:6]13[H:13],[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[N+:5]23[C-:3]([C:4]2([H:11])[H:12])[C@@:6]13[H:13],"InChI=1S/C5H7N/c1-4-3-2-6(4)5(1)3/h3-5H,1-2H2/t3-,4-,5+","InChI=1S/C5H7N/c1-2-6-3-5(6)4(1)6/h4H,1-3H2/t4-,6?/m1/s1",66.37316,38.51093,
1303,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@:3]3([H:10])[C:4]([H:11])([H:12])[N:5]2[C@:6]13[H:13],[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[N:5]2[C:4]([H:11])([H:12])[C:3][C@@:6]12[H:13],"InChI=1S/C5H7N/c1-4-3-2-6(4)5(1)3/h3-5H,1-2H2/t3-,4-,5+","InChI=1S/C5H7N/c1-3-6-4-2-5(1)6/h5H,1,3-4H2/t5-/m1/s1",66.37456,44.79351,
1304,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@:3]3([H:10])[C:4]([H:11])([H:12])[N:5]2[C@:6]13[H:13],[C:1](=[C:6]([C@:3]1([H:10])[C:2]([H:9])=[N:5][C:4]1([H:11])[H:12])[H:13])([H:7])[H:8],"InChI=1S/C5H7N/c1-4-3-2-6(4)5(1)3/h3-5H,1-2H2/t3-,4-,5+","InChI=1S/C5H7N/c1-2-5-3-6-4-5/h2-3,5H,1,4H2/t5-/m1/s1",49.174479999999996,-44.62088,
1305,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@:3]3([H:10])[C:4]([H:11])([H:12])[N:5]2[C@:6]13[H:13],[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@:3]3([H:10])[C:4]([H:12])=[N:5][C@:6]123.[H:11][H:13],"InChI=1S/C5H7N/c1-4-3-2-6(4)5(1)3/h3-5H,1-2H2/t3-,4-,5+","InChI=1S/C5H5N.H2/c1-3-4-2-6-5(1,3)4;/h2-4H,1H2;1H/t3-,4-,5+;/m0./s1",79.87066,33.98438,
1306,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@:3]3([H:10])[C:4]([H:11])([H:12])[N:5]2[C@:6]13[H:13],[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@:3]([C:6][H:13])([H:10])[C:4]([H:11])([H:12])[N:5]12,"InChI=1S/C5H7N/c1-4-3-2-6(4)5(1)3/h3-5H,1-2H2/t3-,4-,5+","InChI=1S/C5H7N/c1-4-2-6-3-5(4)6/h1,4-5H,2-3H2/t4-,5-,6?/m0/s1",103.21919,49.812979999999996,
1307,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@:3]3([H:10])[C:4]([H:11])([H:12])[N:5]2[C@:6]13[H:13],[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@:3]([H:10])([C:4]([H:11])([H:12])[N:5]2[H:13])[C:6]1,"InChI=1S/C5H7N/c1-4-3-2-6(4)5(1)3/h3-5H,1-2H2/t3-,4-,5+","InChI=1S/C5H7N/c1-2-5-4(1)3-6-5/h4-6H,2-3H2/t4-,5-/m0/s1",58.16998,36.586259999999996,
1308,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@:3]3([H:10])[C:4]([H:11])([H:12])[N:5]2[C@:6]13[H:13],[C:1]1([H:7])=[C:6]([H:13])[N:5]([H:8])[C@@:2]1([C:3](=[C:4]([H:11])[H:12])[H:10])[H:9],"InChI=1S/C5H7N/c1-4-3-2-6(4)5(1)3/h3-5H,1-2H2/t3-,4-,5+","InChI=1S/C5H7N/c1-2-5-3-4-6-5/h2-6H,1H2/t5-/m1/s1",67.81079,-38.1168,
1309,[O:1]([C:2]1([C:5](=[O:6])[H:12])[C:3]([H:8])([H:9])[C:4]1([H:10])[H:11])[H:7],[O:1]([C:2]1=[C:5]([H:12])[O:6][C:4]([H:10])([H:11])[C:3]1([H:8])[H:9])[H:7],"InChI=1S/C4H6O2/c5-3-4(6)1-2-4/h3,6H,1-2H2","InChI=1S/C4H6O2/c5-4-1-2-6-3-4/h3,5H,1-2H2",42.52943,1.7843200000000001,ketoenol
1310,[O:1]([C:2]1([C:5](=[O:6])[H:12])[C:3]([H:8])([H:9])[C:4]1([H:10])[H:11])[H:7],[C-:5]#[O+:6].[H:8][H:12].[O:1]([C:2]1=[C:3]([H:9])[C:4]1([H:10])[H:11])[H:7],"InChI=1S/C4H6O2/c5-3-4(6)1-2-4/h3,6H,1-2H2","InChI=1S/C3H4O.CO.H2/c4-3-1-2-3;1-2;/h1,4H,2H2;;1H",80.0323,54.99064,
1311,[O:1]([C:2]1([C:5](=[O:6])[H:12])[C:3]([H:8])([H:9])[C:4]1([H:10])[H:11])[H:7],[O:1]([C:2]([C:5]1([H:12])[C:3]([H:8])([H:9])[C:4]1([H:10])[H:11])=[O:6])[H:7],"InChI=1S/C4H6O2/c5-3-4(6)1-2-4/h3,6H,1-2H2","InChI=1S/C4H6O2/c5-4(6)3-1-2-3/h3H,1-2H2,(H,5,6)",93.19887,-22.38082,
1312,[O:1]([C:2]1([C:5](=[O:6])[H:12])[C:3]([H:8])([H:9])[C:4]1([H:10])[H:11])[H:7],[C:2]1([C:5](=[O:6])[H:12])=[C:3]([H:8])[C:4]1([H:10])[H:11].[O:1]([H:7])[H:9],"InChI=1S/C4H6O2/c5-3-4(6)1-2-4/h3,6H,1-2H2","InChI=1S/C4H4O.H2O/c5-3-4-1-2-4;/h1,3H,2H2;1H2",71.36045,41.42695,
1313,[O:1]([C:2]1([C:5](=[O:6])[H:12])[C:3]([H:8])([H:9])[C:4]1([H:10])[H:11])[H:7],[O:1]([C:2]1([O+:6]=[C-:5][H:12])[C:3]([H:8])([H:9])[C:4]1([H:10])[H:11])[H:7],"InChI=1S/C4H6O2/c5-3-4(6)1-2-4/h3,6H,1-2H2","InChI=1S/C4H6O2/c1-6-4(5)2-3-4/h1,5H,2-3H2",111.98561000000001,69.46261,
1314,[O:1]([C:2]1([C:5](=[O:6])[H:12])[C:3]([H:8])([H:9])[C:4]1([H:10])[H:11])[H:7],[O:1]([C:4]([C:2](=[C:3]([H:8])[H:9])[C:5](=[O:6])[H:12])([H:10])[H:11])[H:7],"InChI=1S/C4H6O2/c5-3-4(6)1-2-4/h3,6H,1-2H2","InChI=1S/C4H6O2/c1-4(2-5)3-6/h2,6H,1,3H2",70.56402,-4.9078,
1315,[O:1]([C:2]1([C:5](=[O:6])[H:12])[C:3]([H:8])([H:9])[C:4]1([H:10])[H:11])[H:7],[O:1]([O:6][C:5](=[C:2]1[C:3]([H:8])([H:9])[C:4]1([H:10])[H:11])[H:12])[H:7],"InChI=1S/C4H6O2/c5-3-4(6)1-2-4/h3,6H,1-2H2","InChI=1S/C4H6O2/c5-6-3-4-1-2-4/h3,5H,1-2H2",104.62411999999999,79.54531,ketoenol
1316,[O:1]([C:2]1([C:5](=[O:6])[H:12])[C:3]([H:8])([H:9])[C:4]1([H:10])[H:11])[H:7],[H:11][H:12].[O:1]([C@:2]1([C:5]#[O+:6])[C:3]([H:8])([H:9])[C-:4]1[H:10])[H:7],"InChI=1S/C4H6O2/c5-3-4(6)1-2-4/h3,6H,1-2H2","InChI=1S/C4H4O2.H2/c5-3-4(6)1-2-4;/h1,6H,2H2;1H/t4-;/m0./s1",106.75243,72.95432,
1317,[C:1]([C:2]([C:3]1([H:11])[C:4]([H:12])([H:13])[C:5]1([H:14])[H:15])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([C:2]([C:3][C:5]([C:4]([H:11])([H:12])[H:13])([H:14])[H:15])([H:9])[H:10])([H:6])([H:7])[H:8],"InChI=1S/C5H10/c1-2-5-3-4-5/h5H,2-4H2,1H3","InChI=1S/C5H10/c1-3-5-4-2/h3-4H2,1-2H3",65.57723,67.17586999999999,
1318,[C:1]([C:2]([C:3]1([H:11])[C:4]([H:12])([H:13])[C:5]1([H:14])[H:15])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([C:3](=[C:2]([H:9])[H:10])[H:11])([H:6])([H:7])[H:8].[C:4](=[C:5]([H:14])[H:15])([H:12])[H:13],"InChI=1S/C5H10/c1-2-5-3-4-5/h5H,2-4H2,1H3","InChI=1S/C3H6.C2H4/c1-3-2;1-2/h3H,1H2,2H3;1-2H2",101.30763,16.28715,
1319,[C:1]([C:2]([C:3]1([H:11])[C:4]([H:12])([H:13])[C:5]1([H:14])[H:15])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1](=[C:2]([H:9])[H:10])([H:6])[H:7].[C:3]1([H:11])=[C:4]([H:12])[C:5]1([H:14])[H:15].[H:8][H:13],"InChI=1S/C5H10/c1-2-5-3-4-5/h5H,2-4H2,1H3","InChI=1S/C3H4.C2H4.H2/c1-2-3-1;1-2;/h1-2H,3H2;1-2H2;1H",93.6103,79.13024,
1320,[C:1]([C:2]([C:3]1([H:11])[C:4]([H:12])([H:13])[C:5]1([H:14])[H:15])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1](/[C:2](=[C:3](/[C:5](=[C:4]([H:12])[H:13])[H:15])[H:11])[H:10])([H:6])([H:7])[H:8].[H:9][H:14],"InChI=1S/C5H10/c1-2-5-3-4-5/h5H,2-4H2,1H3","InChI=1S/C5H8.H2/c1-3-5-4-2;/h3-5H,1H2,2H3;1H/b5-4+;",92.17199000000001,19.58663,
1321,[C:1]([C:2]([C:3]1([H:11])[C:4]([H:12])([H:13])[C:5]1([H:14])[H:15])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([C:2]([C:3]1=[C:5]([H:14])[C:4]1([H:12])[H:13])([H:9])[H:10])([H:6])([H:7])[H:8].[H:11][H:15],"InChI=1S/C5H10/c1-2-5-3-4-5/h5H,2-4H2,1H3","InChI=1S/C5H8.H2/c1-2-5-3-4-5;/h3H,2,4H2,1H3;1H",117.94046999999999,50.259440000000005,
1322,[c:1]1([H:7])[n:2][n:3][n:4][c:5]([H:8])[n:6]1,[C:1]1=[N+:2]([H:7])[N-:3][N:4]=[C:5]([H:8])[N:6]=1,InChI=1S/C2H2N4/c1-3-2-5-6-4-1/h1-2H,"InChI=1S/C2H2N4/c1-3-2-5-6-4-1/h1,5H",75.95472,31.428009999999997,
1323,[c:1]1([H:7])[n:2][n:3][n:4][c:5]([H:8])[n:6]1,[c:1]1([H:7])[n:2][n:3]2[n:4][c:5]([H:8])[n:6]12,InChI=1S/C2H2N4/c1-3-2-5-6-4-1/h1-2H,InChI=1S/C2H2N4/c1-3-6-4-2-5(1)6/h1-2H,81.57714,70.67148,
1324,[c:1]1([H:7])[n:2][n:3][n:4][c:5]([H:8])[n:6]1,[C:1]1([H:7])=[N:6][C@@:5]1([N:4]=[N+:3]=[N-:2])[H:8],InChI=1S/C2H2N4/c1-3-2-5-6-4-1/h1-2H,InChI=1S/C2H2N4/c3-6-5-2-1-4-2/h1-2H/t2-/m1/s1,66.65889,36.15403,
1325,[c:1]1([H:7])[n:2][n:3][n:4][c:5]([H:8])[n:6]1,[C:1](=[N:2][N:3]=[N-:4])([N+:6]#[C:5][H:8])[H:7],InChI=1S/C2H2N4/c1-3-2-5-6-4-1/h1-2H,InChI=1S/C2H2N4/c1-4-2-5-6-3/h1-2H,45.274879999999996,35.36817,
1326,[c:1]1([H:7])[n:2][n:3][n:4][c:5]([H:8])[n:6]1,[C:1](#[N+:2][N-:3][N:4]=[C:5]=[N:6][H:8])[H:7],InChI=1S/C2H2N4/c1-3-2-5-6-4-1/h1-2H,"InChI=1S/C2H2N4/c1-4-6-5-2-3/h1,3H",107.20988999999999,41.84244,
1327,[c:1]1([H:7])[n:2][n:3][n:4][c:5]([H:8])[n:6]1,[C:1](=[N:2][H:7])=[N:6][C:5](=[N+:4]=[N-:3])[H:8],InChI=1S/C2H2N4/c1-3-2-5-6-4-1/h1-2H,InChI=1S/C2H2N4/c3-1-5-2-6-4/h2-3H,75.96481999999999,-2.53841,
1328,[c:1]1([H:7])[n:2][n:3][n:4][c:5]([H:8])[n:6]1,[C:1](#[N:2])[H:7].[C:5](#[N:6])[H:8].[N:3]#[N:4],InChI=1S/C2H2N4/c1-3-2-5-6-4-1/h1-2H,InChI=1S/2CHN.N2/c3*1-2/h2*1H;,25.77982,-36.88774,
1329,[c:1]1([H:7])[n:2][n:3][n:4][c:5]([H:8])[n:6]1,[C:1](=[N-:2])([N:6]=[C:5]([N+:3]#[N:4])[H:8])[H:7],InChI=1S/C2H2N4/c1-3-2-5-6-4-1/h1-2H,InChI=1S/C2H2N4/c3-1-5-2-6-4/h1-2H,70.71368000000001,17.07672,
1330,[c:1]1([H:7])[n:2][n:3][n:4][c:5]([H:8])[n:6]1,[C:1]1([H:7])=[N:6][C@:5]2([H:8])[N:2]1[N:3]=[N:4]2,InChI=1S/C2H2N4/c1-3-2-5-6-4-1/h1-2H,InChI=1S/C2H2N4/c1-3-2-4-5-6(1)2/h1-2H/t2-/m0/s1,75.0392,54.16028000000001,
1331,[C:1]([C@@:2]1([H:10])[O:3][C@:4]1([C:5](=[O:6])[H:12])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](=[O+:3][C:4](=[C:5]([O-:6])[H:12])[H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H6O2/c1-3-4(2-5)6-3/h2-4H,1H3/t3-,4+/m1/s1","InChI=1S/C4H6O2/c1-2-6-4-3-5/h2-4H,1H3",33.18009,24.7413,
1332,[C:1]([C@@:2]1([H:10])[O:3][C@:4]1([C:5](=[O:6])[H:12])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]1=[O+:3][C@:4]1([C-:5]([O:6][H:10])[H:12])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H6O2/c1-3-4(2-5)6-3/h2-4H,1H3/t3-,4+/m1/s1","InChI=1S/C4H6O2/c1-3-4(2-5)6-3/h2,4-5H,1H3/t4-/m0/s1",98.95798,57.95414,
1333,[C:1]([C@@:2]1([H:10])[O:3][C@:4]1([C:5](=[O:6])[H:12])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([O+:3]=[C:4]=[C:5]([O-:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H6O2/c1-3-4(2-5)6-3/h2-4H,1H3/t3-,4+/m1/s1","InChI=1S/C4H6O2/c1-2-6-4-3-5/h3H,2H2,1H3",71.89862,39.054120000000005,
1334,[C:1]([C@@:2]1([H:10])[O:3][C@:4]1([C:5](=[O:6])[H:12])[H:11])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[O:3][C:4]1=[C:5]=[O:6])([H:7])([H:8])[H:9].[H:11][H:12],"InChI=1S/C4H6O2/c1-3-4(2-5)6-3/h2-4H,1H3/t3-,4+/m1/s1","InChI=1S/C4H4O2.H2/c1-3-4(2-5)6-3;/h3H,1H3;1H/t3-;/m1./s1",77.61529,43.49227,
1335,[C:1]([C@@:2]1([H:10])[O:3][C@:4]1([C:5](=[O:6])[H:12])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2][C@@:4]([O:3][H:10])([C:5](=[O:6])[H:12])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H6O2/c1-3-4(2-5)6-3/h2-4H,1H3/t3-,4+/m1/s1","InChI=1S/C4H6O2/c1-2-4(6)3-5/h3-4,6H,1H3/t4-/m1/s1",68.00905,67.1272,
1336,[C:1]([C@@:2]1([H:10])[O:3][C@:4]1([C:5](=[O:6])[H:12])[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]1[O:3][C@:4]1([C:5](=[O:6])[H:12])[H:11])([H:7])[H:8].[H:9][H:10],"InChI=1S/C4H6O2/c1-3-4(2-5)6-3/h2-4H,1H3/t3-,4+/m1/s1","InChI=1S/C4H4O2.H2/c1-3-4(2-5)6-3;/h2,4H,1H2;1H/t4-;/m0./s1",112.59877,34.33965,
1337,[C:1]([C@@:2]1([H:10])[O:3][C@:4]1([C:5](=[O:6])[H:12])[H:11])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[O:3][C@@:5]2([H:12])[C@:4]1([H:11])[O:6]2)([H:7])([H:8])[H:9],"InChI=1S/C4H6O2/c1-3-4(2-5)6-3/h2-4H,1H3/t3-,4+/m1/s1","InChI=1S/C4H6O2/c1-2-3-4(5-2)6-3/h2-4H,1H3/t2-,3-,4-/m1/s1",58.516090000000005,22.58353,
1338,[C:1]([C@@:2]1([H:10])[O:3][C@:4]1([C:5](=[O:6])[H:12])[H:11])([H:7])([H:8])[H:9],[C:1]([C@@:2]([O:3][H:12])([C:4](=[C:5]=[O:6])[H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H6O2/c1-3-4(2-5)6-3/h2-4H,1H3/t3-,4+/m1/s1","InChI=1S/C4H6O2/c1-4(6)2-3-5/h2,4,6H,1H3/t4-/m1/s1",64.20238,-16.2845,
1339,[C:1]([C@@:2]1([H:10])[O:3][C@:4]1([C:5](=[O:6])[H:12])[H:11])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[O:3]/[C:4]1=[C:5](/[O:6][H:11])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H6O2/c1-3-4(2-5)6-3/h2-4H,1H3/t3-,4+/m1/s1","InChI=1S/C4H6O2/c1-3-4(2-5)6-3/h2-3,5H,1H3/b4-2+/t3-/m1/s1",63.771730000000005,14.36015,ketoenol
1340,[C:1]([C@@:2]1([H:10])[O:3][C@:4]1([C:5](=[O:6])[H:12])[H:11])([H:7])([H:8])[H:9],[C:1]([O:3][C@:4]([C:2][H:10])([C:5](=[O:6])[H:12])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H6O2/c1-3-4(2-5)6-3/h2-4H,1H3/t3-,4+/m1/s1","InChI=1S/C4H6O2/c1-4(3-5)6-2/h1,3-4H,2H3/t4-/m1/s1",105.25443,86.50525999999999,
1341,[C:1]([C@@:2]1([H:10])[O:3][C@:4]1([C:5](=[O:6])[H:12])[H:11])([H:7])([H:8])[H:9],[C:1]([C@@:2]([O:3][H:11])([C+:4]=[C:5]([O-:6])[H:12])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H6O2/c1-3-4(2-5)6-3/h2-4H,1H3/t3-,4+/m1/s1","InChI=1S/C4H6O2/c1-4(6)2-3-5/h3-4,6H,1H3/t4-/m1/s1",63.451130000000006,53.19364,
1342,[C:1]([C@@:2]([O:3][H:11])([C:4](=[O:5])[N:6]([H:12])[H:13])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2]([O:3][H:11])([H:10])[H:12])([H:7])([H:8])[H:9].[C:4](=[O:5])=[N:6][H:13],"InChI=1S/C3H7NO2/c1-2(5)3(4)6/h2,5H,1H3,(H2,4,6)/t2-/m1/s1","InChI=1S/C2H6O.CHNO/c1-2-3;2-1-3/h3H,2H2,1H3;2H",78.60308,15.108379999999999,
1343,[C:1]([C@@:2]([O:3][H:11])([C:4](=[O:5])[N:6]([H:12])[H:13])[H:10])([H:7])([H:8])[H:9],[C:1](/[C:2]([O:3][H:11])=[C:4](\[O:5][H:10])[N:6]([H:12])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C3H7NO2/c1-2(5)3(4)6/h2,5H,1H3,(H2,4,6)/t2-/m1/s1","InChI=1S/C3H7NO2/c1-2(5)3(4)6/h5-6H,4H2,1H3/b3-2+",64.81081999999999,23.43789,ketoenol
1344,[C:1]([C@@:2]([O:3][H:11])([C:4](=[O:5])[N:6]([H:12])[H:13])[H:10])([H:7])([H:8])[H:9],[C:1]([C@@:2]([O:3][H:11])(/[C:4]([O:5][H:12])=[N:6]\[H:13])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C3H7NO2/c1-2(5)3(4)6/h2,5H,1H3,(H2,4,6)/t2-/m1/s1","InChI=1S/C3H7NO2/c1-2(5)3(4)6/h2,5H,1H3,(H2,4,6)/t2-/m1/s1",42.02296,10.402239999999999,ketoenol
1345,[C:1]([C@@:2]([O:3][H:11])([C:4](=[O:5])[N:6]([H:12])[H:13])[H:10])([H:7])([H:8])[H:9],[C:1]([C@@:2]([O:3][H:11])([O+:5]=[C-:4][N:6]([H:12])[H:13])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C3H7NO2/c1-2(5)3(4)6/h2,5H,1H3,(H2,4,6)/t2-/m1/s1","InChI=1S/C3H7NO2/c1-3(5)6-2-4/h3,5H,4H2,1H3/t3-/m0/s1",86.55538,44.60198,
1346,[C:1]([C@@:2]([O:3][H:11])([C:4](=[O:5])[N:6]([H:12])[H:13])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2]([O:3][H:11])=[C:4]([O-:5])[N+:6]([H:10])([H:12])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C3H7NO2/c1-2(5)3(4)6/h2,5H,1H3,(H2,4,6)/t2-/m1/s1","InChI=1S/C3H7NO2/c1-2(5)3(4)6/h5-6H,4H2,1H3",73.96125,38.586090000000006,
1347,[C:1]([C@@:2]([O:3][H:11])([C:4](=[O:5])[N:6]([H:12])[H:13])[H:10])([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:10].[C:2](=[O+:3][H:11])=[C:4]([O-:5])[N:6]([H:12])[H:13],"InChI=1S/C3H7NO2/c1-2(5)3(4)6/h2,5H,1H3,(H2,4,6)/t2-/m1/s1","InChI=1S/C2H3NO2.CH4/c3-2(5)1-4;/h5H,3H2;1H4",72.96103000000001,52.88766999999999,
1348,[C:1]([C@@:2]([O:3][H:11])([C:4](=[O:5])[N:6]([H:12])[H:13])[H:10])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])/[C:4](=[N:6]/[H:13])[O:5]1)([H:7])([H:8])[H:9].[O:3]([H:11])[H:12],"InChI=1S/C3H7NO2/c1-2(5)3(4)6/h2,5H,1H3,(H2,4,6)/t2-/m1/s1","InChI=1S/C3H5NO.H2O/c1-2-3(4)5-2;/h2,4H,1H3;1H2/b4-3-;/t2-;/m0./s1",47.92584,47.00026,
1349,[C:1]([C@@:2]([O:3][H:11])([C:4](=[O:5])[N:6]([H:12])[H:13])[H:10])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([O:3][H:11])[C@:4]([N:6]([H:12])[H:13])([H:10])[O:5]1)([H:7])([H:8])[H:9],"InChI=1S/C3H7NO2/c1-2(5)3(4)6/h2,5H,1H3,(H2,4,6)/t2-/m1/s1","InChI=1S/C3H7NO2/c1-3(5)2(4)6-3/h2,5H,4H2,1H3/t2-,3-/m0/s1",75.81441,36.28205,
1350,[C:1]([C@@:2]([O:3][H:11])([C:4](=[O:5])[N:6]([H:12])[H:13])[H:10])([H:7])([H:8])[H:9],[C:1](=[C:2]([C:4](=[O:5])[N:6]([H:12])[H:13])[H:10])([H:7])[H:8].[O:3]([H:9])[H:11],"InChI=1S/C3H7NO2/c1-2(5)3(4)6/h2,5H,1H3,(H2,4,6)/t2-/m1/s1","InChI=1S/C3H5NO.H2O/c1-2-3(4)5;/h2H,1H2,(H2,4,5);1H2",60.65067,14.819870000000002,"1,3_Insertion_ROR"
1351,[C:1]([C@@:2]([O:3][H:11])([C:4](=[O:5])[N:6]([H:12])[H:13])[H:10])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[O:3][C@:4]1([O:5][H:11])[N:6]([H:12])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C3H7NO2/c1-2(5)3(4)6/h2,5H,1H3,(H2,4,6)/t2-/m1/s1","InChI=1S/C3H7NO2/c1-2-3(4,5)6-2/h2,5H,4H2,1H3/t2-,3+/m1/s1",42.089659999999995,34.83643,
1352,[C:1]([C@@:2]([O:3][H:11])([C:4](=[O:5])[N:6]([H:12])[H:13])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2](=[O:3])[C:4](=[O:5])[N:6]([H:12])[H:13])([H:7])([H:8])[H:10].[H:9][H:11],"InChI=1S/C3H7NO2/c1-2(5)3(4)6/h2,5H,1H3,(H2,4,6)/t2-/m1/s1","InChI=1S/C3H5NO2.H2/c1-2(5)3(4)6;/h1H3,(H2,4,6);1H",78.31574,15.39238,
1353,[N:1]([c:2]1[c:3]([H:9])[c:4]([H:10])[c:5]([H:11])[n:6]1[H:12])([H:7])[H:8],[N:1]([C:2]1=[N:6][C:5]([H:11])([H:12])[C:4]([H:10])=[C:3]1[H:9])([H:7])[H:8],"InChI=1S/C4H6N2/c5-4-2-1-3-6-4/h1-3,6H,5H2","InChI=1S/C4H6N2/c5-4-2-1-3-6-4/h1-2H,3H2,(H2,5,6)",39.684709999999995,4.12969,
1354,[N:1]([c:2]1[c:3]([H:9])[c:4]([H:10])[c:5]([H:11])[n:6]1[H:12])([H:7])[H:8],[N:1]([C+:2]1[C:3]([H:9])([H:10])[C-:4]=[C:5]([H:11])[N:6]1[H:12])([H:7])[H:8],"InChI=1S/C4H6N2/c5-4-2-1-3-6-4/h1-3,6H,5H2","InChI=1S/C4H6N2/c5-4-2-1-3-6-4/h3,6H,2,5H2",77.07069,69.59217,
1355,[N:1]([c:2]1[c:3]([H:9])[c:4]([H:10])[c:5]([H:11])[n:6]1[H:12])([H:7])[H:8],[N:1]([C@@:3]1([H:9])[C:2][N:6]([H:12])[C:5]([H:11])=[C:4]1[H:10])([H:7])[H:8],"InChI=1S/C4H6N2/c5-4-2-1-3-6-4/h1-3,6H,5H2","InChI=1S/C4H6N2/c5-4-1-2-6-3-4/h1-2,4,6H,5H2/t4-/m1/s1",79.20091,64.75915,
1356,[N:1]([c:2]1[c:3]([H:9])[c:4]([H:10])[c:5]([H:11])[n:6]1[H:12])([H:7])[H:8],[N:1](=[C:2]1\[C:3]([H:8])([H:9])[C:4]([H:10])=[C:5]([H:11])[N:6]1[H:12])\[H:7],"InChI=1S/C4H6N2/c5-4-2-1-3-6-4/h1-3,6H,5H2","InChI=1S/C4H6N2/c5-4-2-1-3-6-4/h1,3H,2H2,(H2,5,6)",67.56376,5.65537,
1357,[N:1]([c:2]1[c:3]([H:9])[c:4]([H:10])[c:5]([H:11])[n:6]1[H:12])([H:7])[H:8],[N+:1]([c-:2]1[c:3]([H:9])[c:4]([H:10])[c:5]([H:11])[n:6]1)([H:7])([H:8])[H:12],"InChI=1S/C4H6N2/c5-4-2-1-3-6-4/h1-3,6H,5H2","InChI=1S/C4H6N2/c5-4-2-1-3-6-4/h1-3H,5H3",45.71889,39.0352,
1358,[N:1]([c:2]1[c:3]([H:9])[c:4]([H:10])[c:5]([H:11])[n:6]1[H:12])([H:7])[H:8],[N:1]([C@@:2]12[C:3]([H:9])=[C:4]([H:10])[C@:5]1([H:11])[N:6]2[H:12])([H:7])[H:8],"InChI=1S/C4H6N2/c5-4-2-1-3-6-4/h1-3,6H,5H2","InChI=1S/C4H6N2/c5-4-2-1-3(4)6-4/h1-3,6H,5H2/t3-,4+/m0/s1",84.27488000000001,71.64924,Intra_2+2_cycloaddition_Cd
1359,[N:1]([c:2]1[c:3]([H:9])[c:4]([H:10])[c:5]([H:11])[n:6]1[H:12])([H:7])[H:8],[N:1]([C:2]/[C:3](=[C:4]([C:5](=[N:6]/[H:12])\[H:11])/[H:10])[H:9])([H:7])[H:8],"InChI=1S/C4H6N2/c5-4-2-1-3-6-4/h1-3,6H,5H2","InChI=1S/C4H6N2/c5-3-1-2-4-6/h1-3,5H,6H2/b2-1-,5-3-",56.005990000000004,57.46313000000001,
1360,[N:1]([c:2]1[c:3]([H:9])[c:4]([H:10])[c:5]([H:11])[n:6]1[H:12])([H:7])[H:8],[N:1]([C:2]1=[C:3]([H:9])[C:4]([H:10])([H:11])[C:5][N:6]1[H:12])([H:7])[H:8],"InChI=1S/C4H6N2/c5-4-2-1-3-6-4/h1-3,6H,5H2","InChI=1S/C4H6N2/c5-4-2-1-3-6-4/h2,6H,1,5H2",58.72391999999999,53.054080000000006,Singlet_Carbene_Intra_Disproportionation
1361,[N:1]([c:2]1[c:3]([H:9])[c:4]([H:10])[c:5]([H:11])[n:6]1[H:12])([H:7])[H:8],[N:1](=[C:2]1\[C:3]([H:9])=[C:4]([H:10])[C:5]([H:7])([H:11])[N:6]1[H:12])\[H:8],"InChI=1S/C4H6N2/c5-4-2-1-3-6-4/h1-3,6H,5H2","InChI=1S/C4H6N2/c5-4-2-1-3-6-4/h1-2H,3H2,(H2,5,6)",83.23697,6.44399,
1362,[N:1]([c:2]1[c:3]([H:9])[c:4]([H:10])[c:5]([H:11])[n:6]1[H:12])([H:7])[H:8],[N:1]([C:2]1=[C-:3][C:4]([H:9])([H:10])[C+:5]([H:11])[N:6]1[H:12])([H:7])[H:8],"InChI=1S/C4H6N2/c5-4-2-1-3-6-4/h1-3,6H,5H2","InChI=1S/C4H6N2/c5-4-2-1-3-6-4/h3,6H,1,5H2",76.19941,76.65467,
1363,[N:1]([c:2]1[c:3]([H:9])[c:4]([H:10])[c:5]([H:11])[n:6]1[H:12])([H:7])[H:8],[N:1]([C:2]([C:3]1([H:9])[C:4]([H:10])=[C:5]1[H:11])=[N:6][H:12])([H:7])[H:8],"InChI=1S/C4H6N2/c5-4-2-1-3-6-4/h1-3,6H,5H2","InChI=1S/C4H6N2/c5-4(6)3-1-2-3/h1-3H,(H3,5,6)",85.97662,50.32696,
1364,[N:1]([c:2]1[c:3]([H:9])[c:4]([H:10])[c:5]([H:11])[n:6]1[H:12])([H:7])[H:8],[N:1]([C+:2]1[C:3]([H:9])=[C-:4][C:5]([H:10])([H:11])[N:6]1[H:12])([H:7])[H:8],"InChI=1S/C4H6N2/c5-4-2-1-3-6-4/h1-3,6H,5H2","InChI=1S/C4H6N2/c5-4-2-1-3-6-4/h2,6H,3,5H2",67.01618,56.37843,Singlet_Carbene_Intra_Disproportionation
1365,[N:1]([c:2]1[c:3]([H:9])[c:4]([H:10])[c:5]([H:11])[n:6]1[H:12])([H:7])[H:8],[N:1]([C@:2]1([H:9])[C-:3]=[C:4]([H:10])[C+:5]([H:11])[N:6]1[H:12])([H:7])[H:8],"InChI=1S/C4H6N2/c5-4-2-1-3-6-4/h1-3,6H,5H2","InChI=1S/C4H6N2/c5-4-2-1-3-6-4/h1,3-4,6H,5H2/t4-/m0/s1",71.57264,70.94587,Singlet_Carbene_Intra_Disproportionation
1366,[N:1]([c:2]1[c:3]([H:9])[c:4]([H:10])[c:5]([H:11])[n:6]1[H:12])([H:7])[H:8],[N:1]([C@@:2]1([H:12])[C:3]([H:9])=[C:4]([H:10])[C:5]([H:11])=[N:6]1)([H:7])[H:8],"InChI=1S/C4H6N2/c5-4-2-1-3-6-4/h1-3,6H,5H2","InChI=1S/C4H6N2/c5-4-2-1-3-6-4/h1-4H,5H2/t4-/m1/s1",44.86271,17.42935,
1367,[N:1]([c:2]1[c:3]([H:9])[c:4]([H:10])[c:5]([H:11])[n:6]1[H:12])([H:7])[H:8],[N:1]([C:2]([C:3](=[C:4]=[C:5]([H:10])[H:11])[H:9])=[N:6][H:12])([H:7])[H:8],"InChI=1S/C4H6N2/c5-4-2-1-3-6-4/h1-3,6H,5H2","InChI=1S/C4H6N2/c1-2-3-4(5)6/h3H,1H2,(H3,5,6)",89.57326,28.63845,
1368,[N:1]([c:2]1[c:3]([H:9])[c:4]([H:10])[c:5]([H:11])[n:6]1[H:12])([H:7])[H:8],[N:1](=[C:2]1[C:3]([H:9])=[C:4]([H:10])[C-:5]([H:11])[N+:6]1([H:7])[H:12])[H:8],"InChI=1S/C4H6N2/c5-4-2-1-3-6-4/h1-3,6H,5H2","InChI=1S/C4H6N2/c5-4-2-1-3-6-4/h1-3,5H,6H2",67.87359000000001,44.97312,
1369,[N:1]([c:2]1[c:3]([H:9])[c:4]([H:10])[c:5]([H:11])[n:6]1[H:12])([H:7])[H:8],[N:1]([C:2](=[C:3]=[C:4](/[C:5](=[N:6]/[H:12])[H:11])[H:10])[H:9])([H:7])[H:8],"InChI=1S/C4H6N2/c5-4-2-1-3-6-4/h1-3,6H,5H2","InChI=1S/C4H6N2/c5-3-1-2-4-6/h1,3-5H,6H2/b5-3+",71.57009000000001,40.243809999999996,
1370,[N:1]([c:2]1[c:3]([H:9])[c:4]([H:10])[c:5]([H:11])[n:6]1[H:12])([H:7])[H:8],[N:1]([C:2][N:6]([C:5]1([H:11])[C:3]([H:9])=[C:4]1[H:10])[H:12])([H:7])[H:8],"InChI=1S/C4H6N2/c5-4-2-1-3-6-4/h1-3,6H,5H2","InChI=1S/C4H6N2/c5-3-6-4-1-2-4/h1-2,4,6H,5H2",119.63614,86.72251999999999,
1371,[N:1]([c:2]1[c:3]([H:9])[c:4]([H:10])[c:5]([H:11])[n:6]1[H:12])([H:7])[H:8],[N:1]([C:2]1([N:6]([C:5][H:11])[H:12])[C:3]([H:9])=[C:4]1[H:10])([H:7])[H:8],"InChI=1S/C4H6N2/c5-4-2-1-3-6-4/h1-3,6H,5H2","InChI=1S/C4H6N2/c1-6-4(5)2-3-4/h1-3,6H,5H2",133.3135,107.90337,
1372,[N:1]([c:2]1[c:3]([H:9])[c:4]([H:10])[c:5]([H:11])[n:6]1[H:12])([H:7])[H:8],[N:1]([C:2]1=[C:3]([H:9])[C:4]([H:10])=[C-:5][N+:6]1([H:11])[H:12])([H:7])[H:8],"InChI=1S/C4H6N2/c5-4-2-1-3-6-4/h1-3,6H,5H2","InChI=1S/C4H6N2/c5-4-2-1-3-6-4/h1-2H,5-6H2",85.10094000000001,77.6072,
1373,[N:1]([c:2]1[c:3]([H:9])[c:4]([H:10])[c:5]([H:11])[n:6]1[H:12])([H:7])[H:8],[N:1]([C@@:5]1([H:11])[C+:4]([H:10])[C:3]([H:9])=[C-:2][N:6]1[H:12])([H:7])[H:8],"InChI=1S/C4H6N2/c5-4-2-1-3-6-4/h1-3,6H,5H2","InChI=1S/C4H6N2/c5-4-2-1-3-6-4/h1-2,4,6H,5H2/t4-/m1/s1",119.21158999999999,59.156909999999996,
1374,[N:1]([c:2]1[c:3]([H:9])[c:4]([H:10])[c:5]([H:11])[n:6]1[H:12])([H:7])[H:8],[N+:1]([C:2]1=[C:3]=[C:4]([H:10])[C-:5]([H:11])[N:6]1[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H6N2/c5-4-2-1-3-6-4/h1-3,6H,5H2","InChI=1S/C4H5N2/c5-4-2-1-3-6-4/h1,3,6H,5H2/q-1/p+1",85.31956,85.73595999999999,
1375,[N:1]([c:2]1[c:3]([H:9])[c:4]([H:10])[c:5]([H:11])[n:6]1[H:12])([H:7])[H:8],[N:1]([C:2](=[C:3]([C:4](=[C:5])[H:10])[H:9])[N:6]([H:11])[H:12])([H:7])[H:8],"InChI=1S/C4H6N2/c5-4-2-1-3-6-4/h1-3,6H,5H2","InChI=1S/C4H6N2/c1-2-3-4(5)6/h2-3H,5-6H2",88.25662,84.96058000000001,
1376,[N:1]([c:2]1[c:3]([H:9])[c:4]([H:10])[c:5]([H:11])[n:6]1[H:12])([H:7])[H:8],[H:7][H:12].[N:1](=[C:2]1\[C:3]([H:9])=[C:4]([H:10])[C:5]([H:11])=[N:6]1)\[H:8],"InChI=1S/C4H6N2/c5-4-2-1-3-6-4/h1-3,6H,5H2","InChI=1S/C4H4N2.H2/c5-4-2-1-3-6-4;/h1-3,5H;1H/b5-4+;",80.81279,38.59977,
1377,[N:1]([C:2](=[O:3])[N:4]([C:5](=[O:6])[H:10])[H:9])([H:7])[H:8],[C-:5]#[O+:6].[N:1]([C+:2]([O:3][H:10])[N-:4][H:9])([H:7])[H:8],"InChI=1S/C2H4N2O2/c3-2(6)4-1-5/h1H,(H3,3,4,5,6)","InChI=1S/CH4N2O.CO/c2-1(3)4;1-2/h2,4H,3H2;",40.783229999999996,24.1236,
1378,[N:1]([C:2](=[O:3])[N:4]([C:5](=[O:6])[H:10])[H:9])([H:7])[H:8],[N:1]([C:2](=[O:3])/[N:4]=[C:5](/[O:6][H:9])[H:10])([H:7])[H:8],"InChI=1S/C2H4N2O2/c3-2(6)4-1-5/h1H,(H3,3,4,5,6)","InChI=1S/C2H4N2O2/c3-2(6)4-1-5/h1H,(H3,3,4,5,6)",37.95517,6.73677,ketoenol
1379,[N:1]([C:2](=[O:3])[N:4]([C:5](=[O:6])[H:10])[H:9])([H:7])[H:8],[C:2](=[O:3])=[N:4][C:5](=[O:6])[H:10].[N:1]([H:7])([H:8])[H:9],"InChI=1S/C2H4N2O2/c3-2(6)4-1-5/h1H,(H3,3,4,5,6)",InChI=1S/C2HNO2.H3N/c4-1-3-2-5;/h1H;1H3,42.739540000000005,23.93365,"1,3_NH3_elimination"
1380,[N:1]([C:2](=[O:3])[N:4]([C:5](=[O:6])[H:10])[H:9])([H:7])[H:8],[N:1](=[C:2](/[O:3][H:8])[N:4]([C:5](=[O:6])[H:10])[H:9])\[H:7],"InChI=1S/C2H4N2O2/c3-2(6)4-1-5/h1H,(H3,3,4,5,6)","InChI=1S/C2H4N2O2/c3-2(6)4-1-5/h1H,(H3,3,4,5,6)",42.2186,12.285689999999999,ketoenol
1381,[N:1]([C:2](=[O:3])[N:4]([C:5](=[O:6])[H:10])[H:9])([H:7])[H:8],[N:1]([C:2](=[O:3])[O:6]/[C:5](=[N:4]/[H:9])[H:10])([H:7])[H:8],"InChI=1S/C2H4N2O2/c3-2(6)4-1-5/h1H,(H3,3,4,5,6)","InChI=1S/C2H4N2O2/c3-1-6-2(4)5/h1,3H,(H2,4,5)/b3-1+",40.82461,12.27791,ketoenol
1382,[N:1]([C:2](=[O:3])[N:4]([C:5](=[O:6])[H:10])[H:9])([H:7])[H:8],[N:1](/[C:2]([O:3][H:9])=[N:4]/[C:5](=[O:6])[H:10])([H:7])[H:8],"InChI=1S/C2H4N2O2/c3-2(6)4-1-5/h1H,(H3,3,4,5,6)","InChI=1S/C2H4N2O2/c3-2(6)4-1-5/h1H,(H3,3,4,5,6)",27.20526,0.026619999999999998,ketoenol
1383,[N:1]([C:2](=[O:3])[N:4]([C:5](=[O:6])[H:10])[H:9])([H:7])[H:8],[N:1]([C:2](=[O:3])[N+:4](=[C-:5][O:6][H:10])[H:9])([H:7])[H:8],"InChI=1S/C2H4N2O2/c3-2(6)4-1-5/h1H,(H3,3,4,5,6)","InChI=1S/C2H4N2O2/c3-2(6)4-1-5/h4-5H,(H2,3,6)",77.32763,44.493109999999994,
1384,[N:1]([C:2](=[O:3])[N:4]([C:5](=[O:6])[H:10])[H:9])([H:7])[H:8],[C:2](=[O:3])=[N:4][H:9].[N:1]([C:5](=[O:6])[H:10])([H:7])[H:8],"InChI=1S/C2H4N2O2/c3-2(6)4-1-5/h1H,(H3,3,4,5,6)","InChI=1S/CH3NO.CHNO/c2*2-1-3/h1H,(H2,2,3);2H",43.55272,12.62087,
1385,[N:1]([C:2](=[O:3])[N:4]([C:5](=[O:6])[H:10])[H:9])([H:7])[H:8],[N:1](=[C:2]=[O:3])[H:7].[N:4](=[C:5](\[O:6][H:8])[H:10])\[H:9],"InChI=1S/C2H4N2O2/c3-2(6)4-1-5/h1H,(H3,3,4,5,6)","InChI=1S/CH3NO.CHNO/c2*2-1-3/h1H,(H2,2,3);2H",46.035540000000005,24.21483,Retroene
1386,[N:1]([C:2](=[O:3])[N:4]([C:5](=[O:6])[H:10])[H:9])([H:7])[H:8],[H:8][H:10].[N:1](=[C:2]=[O:3])[H:7].[N:4](=[C:5]=[O:6])[H:9],"InChI=1S/C2H4N2O2/c3-2(6)4-1-5/h1H,(H3,3,4,5,6)",InChI=1S/2CHNO.H2/c2*2-1-3;/h2*2H;1H,61.800309999999996,27.94022,
1387,[N:1]([C:2](=[O:3])[N:4]([C:5](=[O:6])[H:10])[H:9])([H:7])[H:8],[H:9][H:10].[N:1]([C:2](=[O:3])[N:4]=[C:5]=[O:6])([H:7])[H:8],"InChI=1S/C2H4N2O2/c3-2(6)4-1-5/h1H,(H3,3,4,5,6)","InChI=1S/C2H2N2O2.H2/c3-2(6)4-1-5;/h(H2,3,6);1H",72.00024,15.66784,
1388,[N:1]([C:2](=[O:3])[N:4]([C:5](=[O:6])[H:10])[H:9])([H:7])[H:8],[N:1]1([H:7])[C@:2]([N:4]([C:5](=[O:6])[H:10])[H:9])([H:8])[O:3]1,"InChI=1S/C2H4N2O2/c3-2(6)4-1-5/h1H,(H3,3,4,5,6)","InChI=1S/C2H4N2O2/c5-1-3-2-4-6-2/h1-2,4H,(H,3,5)/t2-/m1/s1",113.15753000000001,78.7634,
1389,[N:1]([C:2](=[O:3])[N:4]([C:5](=[O:6])[H:10])[H:9])([H:7])[H:8],[N:1]([C:2]([O:3][C:5](=[O:6])[H:10])=[N:4][H:9])([H:7])[H:8],"InChI=1S/C2H4N2O2/c3-2(6)4-1-5/h1H,(H3,3,4,5,6)","InChI=1S/C2H4N2O2/c3-2(4)6-1-5/h1H,(H3,3,4)",40.0507,20.25137,ketoenol
1390,[C:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[n:5][o:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]#[C:3][H:10])([H:7])([H:8])[H:9].[C:4](#[N+:5][O-:6])[H:11],"InChI=1S/C4H5NO/c1-4-2-3-5-6-4/h2-3H,1H3","InChI=1S/C3H4.CHNO/c1-3-2;1-2-3/h1H,2H3;1H",80.34512,74.96316,
1391,[C:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[n:5][o:6]1)([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]=[C:4]([N:5]=[O:6])[H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-4-2-3-5-6-4/h2-3H,1H3","InChI=1S/C4H5NO/c1-2-3-4-5-6/h2,4H,1H3",77.11745,59.833040000000004,
1392,[C:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[n:5][o:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([C:4]#[N:5])([H:10])[H:11])=[O:6])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-4-2-3-5-6-4/h2-3H,1H3","InChI=1S/C4H5NO/c1-4(6)2-3-5/h2H2,1H3",51.92418,-19.67999,
1393,[C:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[n:5][o:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]([C@@:3]1([H:10])[C:4]([H:11])=[N:5]1)=[O:6])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-4-2-3-5-6-4/h2-3H,1H3","InChI=1S/C4H5NO/c1-3(6)4-2-5-4/h2,4H,1H3/t4-/m1/s1",51.93023,17.575229999999998,ketoenol
1394,[C:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[n:5][o:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]([C:3](=[C:4]=[N:5][H:11])[H:10])=[O:6])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-4-2-3-5-6-4/h2-3H,1H3","InChI=1S/C4H5NO/c1-4(6)2-3-5/h2,5H,1H3",49.80814,-9.84032,
1395,[C:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[n:5][o:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]1=[C:3]=[C:4]([H:11])[N:5]([H:10])[O:6]1)([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-4-2-3-5-6-4/h2-3H,1H3","InChI=1S/C4H5NO/c1-4-2-3-5-6-4/h3,5H,1H3",100.97751,60.49958,
1396,[C:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[n:5][o:6]1)([H:7])([H:8])[H:9],[C:1](=[C:2]1[C:3]([H:7])([H:10])[C:4]([H:11])=[N:5][O:6]1)([H:8])[H:9],"InChI=1S/C4H5NO/c1-4-2-3-5-6-4/h2-3H,1H3","InChI=1S/C4H5NO/c1-4-2-3-5-6-4/h3H,1-2H2",82.55202,21.78221,
1397,[C:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[n:5][o:6]1)([H:7])([H:8])[H:9],[C:1](=[C:2]1[C:3]([H:10])=[C:4]([H:11])[N:5]([H:7])[O:6]1)([H:8])[H:9],"InChI=1S/C4H5NO/c1-4-2-3-5-6-4/h2-3H,1H3","InChI=1S/C4H5NO/c1-4-2-3-5-6-4/h2-3,5H,1H2",95.82285999999999,29.73847,
1398,[C:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[n:5][o:6]1)([H:7])([H:8])[H:9],[C:1]([C@@:3]([C:2]#[O+:6])([C:4](=[N-:5])[H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-4-2-3-5-6-4/h2-3H,1H3","InChI=1S/C4H5NO/c1-4(2-5)3-6/h2,4H,1H3/t4-/m1/s1",81.65078000000001,26.411140000000003,
1399,[C:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[n:5][o:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]1=[C:3]([H:10])/[C:4](=[N:5]\[H:11])[O:6]1)([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-4-2-3-5-6-4/h2-3H,1H3","InChI=1S/C4H5NO/c1-3-2-4(5)6-3/h2,5H,1H3/b5-4+",49.82275,9.37435,
1400,[C:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[n:5][o:6]1)([H:7])([H:8])[H:9],[C:1]([O+:6]=[C:2]=[C:3]([C:4](=[N-:5])[H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-4-2-3-5-6-4/h2-3H,1H3","InChI=1S/C4H5NO/c1-6-4-2-3-5/h2-3H,1H3",104.42636999999999,70.64902,
1401,[C:1]([O:2][C:3]([C:4]1([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:2][C:3](=[C:4]([H:11])[H:12])[H:10])([H:7])([H:8])[H:9].[C:5](=[C:6]([H:15])[H:16])([H:13])[H:14],"InChI=1S/C5H10O/c1-6-4-5-2-3-5/h5H,2-4H2,1H3","InChI=1S/C3H6O.C2H4/c1-3-4-2;1-2/h3H,1H2,2H3;1-2H2",79.80946999999999,13.090489999999999,
1402,[C:1]([O:2][C:3]([C:4]1([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](=[O:2])([H:8])[H:9].[C:3](=[C:4]([C:5]([C:6]([H:7])([H:15])[H:16])([H:13])[H:14])[H:12])([H:10])[H:11],"InChI=1S/C5H10O/c1-6-4-5-2-3-5/h5H,2-4H2,1H3","InChI=1S/C4H8.CH2O/c1-3-4-2;1-2/h3H,1,4H2,2H3;1H2",58.38575,-1.21329,
1403,[C:1]([O:2][C:3]([C:4]1([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:2][C:6]([C:5]([C:4](=[C:3]([H:10])[H:11])[H:12])([H:13])[H:14])([H:15])[H:16])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-6-4-5-2-3-5/h5H,2-4H2,1H3","InChI=1S/C5H10O/c1-3-4-5-6-2/h3H,1,4-5H2,2H3",63.6448,-5.66386,
1404,[C:1]([O:2][C:3]([C:4]1([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:2][C:3]([C:6]([C:5]([C:4][H:12])([H:13])[H:14])([H:15])[H:16])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-6-4-5-2-3-5/h5H,2-4H2,1H3","InChI=1S/C5H10O/c1-3-4-5-6-2/h1H,3-5H2,2H3",93.98156999999999,79.34813,
1405,[C:1]([O:2][C:3]([C:4]1([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:10])[H:11])([H:7])([H:8])[H:9],[C-:1]([O+:2]=[C:3]([C:4]1([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])[H:10])([H:8])[H:9].[H:7][H:11],"InChI=1S/C5H10O/c1-6-4-5-2-3-5/h5H,2-4H2,1H3","InChI=1S/C5H8O.H2/c1-6-4-5-2-3-5;/h4-5H,1-3H2;1H",65.1576,70.53201,
1406,[C:1]([O:2][C:3]([C:4]1([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:2][C@:3]1([H:10])[C@:4]([C:6]([H:11])([H:15])[H:16])([H:12])[C:5]1([H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-6-4-5-2-3-5/h5H,2-4H2,1H3","InChI=1S/C5H10O/c1-4-3-5(4)6-2/h4-5H,3H2,1-2H3/t4-,5-/m0/s1",103.75201,-2.20853,
1407,[C:1]([O:2][C:3]([C:4]1([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:2]/[C:3](=[C:4](\[C:6](=[C:5]([H:13])[H:14])[H:16])[H:12])[H:10])([H:7])([H:8])[H:9].[H:11][H:15],"InChI=1S/C5H10O/c1-6-4-5-2-3-5/h5H,2-4H2,1H3","InChI=1S/C5H8O.H2/c1-3-4-5-6-2;/h3-5H,1H2,2H3;1H/b5-4-;",87.19496,15.07811,
1408,[C:1]([O:2][C:3]([C:4]1([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:2][H:12])([H:7])([H:8])[H:9].[C:3](=[C:4]1[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:10])[H:11],"InChI=1S/C5H10O/c1-6-4-5-2-3-5/h5H,2-4H2,1H3","InChI=1S/C4H6.CH4O/c1-4-2-3-4;1-2/h1-3H2;2H,1H3",65.32285,20.3443,"1,3_Insertion_ROR"
1409,[C:1]([O:2][C:3]([C:4]1([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:2][C:3]([C:4][C:5]([C:6]([H:12])([H:15])[H:16])([H:13])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-6-4-5-2-3-5/h5H,2-4H2,1H3","InChI=1S/C5H10O/c1-3-4-5-6-2/h3,5H2,1-2H3",65.66958000000001,66.83915999999999,
1410,[C:1]([O:2][C:3]([C:4]1([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](=[O+:2][C:3]([C:4]([C:5]([C-:6]([H:15])[H:16])([H:13])[H:14])([H:7])[H:12])([H:10])[H:11])([H:8])[H:9],"InChI=1S/C5H10O/c1-6-4-5-2-3-5/h5H,2-4H2,1H3",InChI=1S/C5H10O/c1-3-4-5-6-2/h1-5H2,77.88449,71.80504,
1411,[C:1]([O:2][C:3]([C:4]1([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O+:2]=[C-:3][H:10])([H:7])([H:8])[H:9].[C:4]1([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16],"InChI=1S/C5H10O/c1-6-4-5-2-3-5/h5H,2-4H2,1H3","InChI=1S/C3H6.C2H4O/c1-2-3-1;1-3-2/h1-3H2;1H,2H3",74.41816999999999,68.92023,
1412,[C:1](/[C:2](=[N:3]/[H:10])[O:4][C:5](=[O:6])[H:11])([H:7])([H:8])[H:9],[C:1]([O:6][C:5](=[O:4])[H:11])([H:7])([H:8])[H:9].[C:2]=[N:3][H:10],"InChI=1S/C3H5NO2/c1-3(4)6-2-5/h2,4H,1H3/b4-3-","InChI=1S/C2H4O2.CHN/c1-4-2-3;1-2/h2H,1H3;2H",97.42005,41.0419,
1413,[C:1](/[C:2](=[N:3]/[H:10])[O:4][C:5](=[O:6])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]#[N:3])([H:7])([H:8])[H:9].[O:4]=[C:5]([O:6][H:10])[H:11],"InChI=1S/C3H5NO2/c1-3(4)6-2-5/h2,4H,1H3/b4-3-","InChI=1S/C2H3N.CH2O2/c1-2-3;2-1-3/h1H3;1H,(H,2,3)",13.05982,0.21101999999999999,Retroene
1414,[C:1](/[C:2](=[N:3]/[H:10])[O:4][C:5](=[O:6])[H:11])([H:7])([H:8])[H:9],[C-:5]#[O+:6].[C:1]([C:2]([N:3]([H:10])[H:11])=[O:4])([H:7])([H:8])[H:9],"InChI=1S/C3H5NO2/c1-3(4)6-2-5/h2,4H,1H3/b4-3-","InChI=1S/C2H5NO.CO/c1-2(3)4;1-2/h1H3,(H2,3,4);",40.55361,-9.05432,
1415,[C:1](/[C:2](=[N:3]/[H:10])[O:4][C:5](=[O:6])[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]=[N:3][H:10])([H:7])[H:8].[O:4]=[C:5]([O:6][H:9])[H:11],"InChI=1S/C3H5NO2/c1-3(4)6-2-5/h2,4H,1H3/b4-3-","InChI=1S/C2H3N.CH2O2/c1-2-3;2-1-3/h3H,1H2;1H,(H,2,3)",32.72287,20.9272,Retroene
1416,[C:1](/[C:2](=[N:3]/[H:10])[O:4][C:5](=[O:6])[H:11])([H:7])([H:8])[H:9],[C:1]([C:5](=[O:6])[H:11])([H:7])([H:8])[H:9].[C:2](=[N:3][H:10])=[O:4],"InChI=1S/C3H5NO2/c1-3(4)6-2-5/h2,4H,1H3/b4-3-","InChI=1S/C2H4O.CHNO/c1-2-3;2-1-3/h2H,1H3;2H",71.58445,2.67151,
1417,[C:1](/[C:2](=[N:3]/[H:10])[O:4][C:5](=[O:6])[H:11])([H:7])([H:8])[H:9],[C:1]([N:3]=[C:2]=[O:4])([H:7])([H:8])[H:9].[C:5](=[O:6])([H:10])[H:11],"InChI=1S/C3H5NO2/c1-3(4)6-2-5/h2,4H,1H3/b4-3-",InChI=1S/C2H3NO.CH2O/c1-3-2-4;1-2/h1H3;1H2,71.13121,17.96647,
1418,[C:1](/[C:2](=[N:3]/[H:10])[O:4][C:5](=[O:6])[H:11])([H:7])([H:8])[H:9],[C:1](/[C:2](=[N:3]/[H:10])[O+:4]=[C-:5][O:6][H:11])([H:7])([H:8])[H:9],"InChI=1S/C3H5NO2/c1-3(4)6-2-5/h2,4H,1H3/b4-3-","InChI=1S/C3H5NO2/c1-3(4)6-2-5/h4-5H,1H3/b4-3-",75.9678,44.1281,
1419,[C:1](/[C:2](=[N:3]/[H:10])[O:4][C:5](=[O:6])[H:11])([H:7])([H:8])[H:9],[C:1](/[C:2](=[N:3]\[H:10])[H:9])([O:6][C:5](=[O:4])[H:11])([H:7])[H:8],"InChI=1S/C3H5NO2/c1-3(4)6-2-5/h2,4H,1H3/b4-3-","InChI=1S/C3H5NO2/c4-1-2-6-3-5/h1,3-4H,2H2/b4-1-",76.57486999999999,11.48745,
1420,[C:1](/[C:2](=[N:3]/[H:10])[O:4][C:5](=[O:6])[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]([N:3]([H:9])[H:10])[O:4][C:5](=[O:6])[H:11])([H:7])[H:8],"InChI=1S/C3H5NO2/c1-3(4)6-2-5/h2,4H,1H3/b4-3-","InChI=1S/C3H5NO2/c1-3(4)6-2-5/h2H,1,4H2",61.83276,9.6802,
1421,[C:1](/[C:2](=[N:3]/[H:10])[O:4][C:5](=[O:6])[H:11])([H:7])([H:8])[H:9],[C-:1]([O+:6]=[C:5]([O:4]/[C:2](=[N:3]\[H:10])[H:9])[H:11])([H:7])[H:8],"InChI=1S/C3H5NO2/c1-3(4)6-2-5/h2,4H,1H3/b4-3-","InChI=1S/C3H5NO2/c1-5-3-6-2-4/h2-4H,1H2/b4-2-",109.5043,81.41956,
1422,[C:1](/[C:2](=[N:3]/[H:10])[O:4][C:5](=[O:6])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([N:3]([C:5](=[O:6])[H:11])[H:10])=[O:4])([H:7])([H:8])[H:9],"InChI=1S/C3H5NO2/c1-3(4)6-2-5/h2,4H,1H3/b4-3-","InChI=1S/C3H5NO2/c1-3(6)4-2-5/h2H,1H3,(H,4,5,6)",17.87595,-10.108419999999999,ketoenol
1423,[C:1](/[C:2](=[N:3]/[H:10])[O:4][C:5](=[O:6])[H:11])([H:7])([H:8])[H:9],[C:1]1([H:7])([H:8])[C:2](=[O:4])[N:3]1[H:10].[C:5](=[O:6])([H:9])[H:11],"InChI=1S/C3H5NO2/c1-3(4)6-2-5/h2,4H,1H3/b4-3-","InChI=1S/C2H3NO.CH2O/c4-2-1-3-2;1-2/h1H2,(H,3,4);1H2",73.76025,54.37246999999999,
1424,[C:1](/[C:2](=[N:3]/[H:10])[O:4][C:5](=[O:6])[H:11])([H:7])([H:8])[H:9],[C:1](/[C:2](=[N:3]/[H:10])[H:11])([H:7])([H:8])[H:9].[O:4]=[C:5]=[O:6],"InChI=1S/C3H5NO2/c1-3(4)6-2-5/h2,4H,1H3/b4-3-","InChI=1S/C2H5N.CO2/c1-2-3;2-1-3/h2-3H,1H3;/b3-2+;",43.680890000000005,-12.90255,"1,3_Insertion_CO2"
1425,[C:1](/[C:2](=[N:3]/[H:10])[O:4][C:5](=[O:6])[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]1[N:3]([H:10])[O:6][C:5]([H:9])([H:11])[O:4]1)([H:7])[H:8],"InChI=1S/C3H5NO2/c1-3(4)6-2-5/h2,4H,1H3/b4-3-","InChI=1S/C3H5NO2/c1-3-4-6-2-5-3/h4H,1-2H2",89.96441999999999,63.03716,
1426,[C:1](/[C:2](=[N:3]/[H:10])[O:4][C:5](=[O:6])[H:11])([H:7])([H:8])[H:9],[C:1]([C@:2]12[N:3]([H:10])[O:6][C@@:5]1([H:11])[O:4]2)([H:7])([H:8])[H:9],"InChI=1S/C3H5NO2/c1-3(4)6-2-5/h2,4H,1H3/b4-3-","InChI=1S/C3H5NO2/c1-3-2(5-3)6-4-3/h2,4H,1H3/t2-,3-/m1/s1",109.23595,86.01208000000001,
1427,[C:1](/[C:2](=[N:3]/[H:10])[O:4][C:5](=[O:6])[H:11])([H:7])([H:8])[H:9],[C:1]([N:3]([C-:2]=[O+:4][C:5](=[O:6])[H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C3H5NO2/c1-3(4)6-2-5/h2,4H,1H3/b4-3-","InChI=1S/C3H5NO2/c1-4-2-6-3-5/h3-4H,1H3",85.88956,41.64307,
1428,[O:1]=[C:2]([C:3]([C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)([H:8])[H:9])[H:7],[O:1]([C@@:2]1([H:7])[C:3]([H:8])([H:9])[C@@:4]2([H:10])[C@:5]1([H:11])[O:6]2)[H:12],"InChI=1S/C4H6O2/c5-2-1-4-3-6-4/h2,4H,1,3H2/t4-/m0/s1","InChI=1S/C4H6O2/c5-2-1-3-4(2)6-3/h2-5H,1H2/t2-,3-,4+/m0/s1",85.29753000000001,17.63683,
1429,[O:1]=[C:2]([C:3]([C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)([H:8])[H:9])[H:7],[O:1]=[C:2]([C:3]([C@@:4]([C:5][H:11])([O:6][H:12])[H:10])([H:8])[H:9])[H:7],"InChI=1S/C4H6O2/c5-2-1-4-3-6-4/h2,4H,1,3H2/t4-/m0/s1","InChI=1S/C4H6O2/c1-4(6)2-3-5/h1,3-4,6H,2H2/t4-/m1/s1",68.65979,67.97218000000001,
1430,[O:1]=[C:2]([C:3]([C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)([H:8])[H:9])[H:7],[C:3](=[C:4]1[C:5]([H:11])([H:12])[O:6]1)([H:8])[H:9].[O:1]=[C:2]([H:7])[H:10],"InChI=1S/C4H6O2/c5-2-1-4-3-6-4/h2,4H,1,3H2/t4-/m0/s1",InChI=1S/C3H4O.CH2O/c1-3-2-4-3;1-2/h1-2H2;1H2,69.01103,31.39214,
1431,[O:1]=[C:2]([C:3]([C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)([H:8])[H:9])[H:7],[O:1]=[C:2]([C:3]([C:4]([C:5](=[O:6])[H:12])([H:10])[H:11])([H:8])[H:9])[H:7],"InChI=1S/C4H6O2/c5-2-1-4-3-6-4/h2,4H,1,3H2/t4-/m0/s1","InChI=1S/C4H6O2/c5-3-1-2-4-6/h3-4H,1-2H2",54.51334,-21.43259,
1432,[O:1]=[C:2]([C:3]([C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)([H:8])[H:9])[H:7],[O:1]([C:2](=[C:3]([H:8])[H:9])[H:7])[C:5]([C:4](=[O:6])[H:10])([H:11])[H:12],"InChI=1S/C4H6O2/c5-2-1-4-3-6-4/h2,4H,1,3H2/t4-/m0/s1","InChI=1S/C4H6O2/c1-2-6-4-3-5/h2-3H,1,4H2",40.40418,-5.74518,
1433,[O:1]=[C:2]([C:3]([C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)([H:8])[H:9])[H:7],[O:1](/[C:2](=[C:3](\[C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)[H:9])[H:7])[H:8],"InChI=1S/C4H6O2/c5-2-1-4-3-6-4/h2,4H,1,3H2/t4-/m0/s1","InChI=1S/C4H6O2/c5-2-1-4-3-6-4/h1-2,4-5H,3H2/b2-1-/t4-/m0/s1",65.09952,4.322430000000001,ketoenol
1434,[O:1]=[C:2]([C:3]([C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)([H:8])[H:9])[H:7],[O:1]=[C:2]([C:3]([C:4]([O+:6]=[C-:5][H:11])([H:10])[H:12])([H:8])[H:9])[H:7],"InChI=1S/C4H6O2/c5-2-1-4-3-6-4/h2,4H,1,3H2/t4-/m0/s1","InChI=1S/C4H6O2/c1-6-4-2-3-5/h1,3H,2,4H2",75.40464,47.25318,
1435,[O:1]=[C:2]([C:3]([C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)([H:8])[H:9])[H:7],[C-:4]1=[O+:6][C:5]1([H:11])[H:12].[O:1]([C:2](=[C:3]([H:8])[H:9])[H:7])[H:10],"InChI=1S/C4H6O2/c5-2-1-4-3-6-4/h2,4H,1,3H2/t4-/m0/s1","InChI=1S/C2H2O.C2H4O/c1-2-3-1;1-2-3/h1H2;2-3H,1H2",61.6063,63.82249,
1436,[O:1]=[C:2]([C:3]([C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)([H:8])[H:9])[H:7],[O:1]=[C:2](/[C:3](=[C:4](/[C:5]([O:6][H:8])([H:11])[H:12])[H:10])[H:9])[H:7],"InChI=1S/C4H6O2/c5-2-1-4-3-6-4/h2,4H,1,3H2/t4-/m0/s1","InChI=1S/C4H6O2/c5-3-1-2-4-6/h1-3,6H,4H2/b2-1+",45.58778,-14.507279999999998,
1437,[O:1]=[C:2]([C:3]([C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)([H:8])[H:9])[H:7],[C:5](=[O:6])([H:11])[H:12].[O:1]=[C:2]([C:4](=[C:3]([H:8])[H:9])[H:10])[H:7],"InChI=1S/C4H6O2/c5-2-1-4-3-6-4/h2,4H,1,3H2/t4-/m0/s1","InChI=1S/C3H4O.CH2O/c1-2-3-4;1-2/h2-3H,1H2;1H2",56.93306,2.4131400000000003,
1438,[O:1]=[C:2]([C:3]([C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)([H:8])[H:9])[H:7],[C:5](=[O:6])([H:11])[H:12].[O:1]1[C@@:2]2([H:7])[C:3]([H:8])([H:9])[C@@:4]12[H:10],"InChI=1S/C4H6O2/c5-2-1-4-3-6-4/h2,4H,1,3H2/t4-/m0/s1","InChI=1S/C3H4O.CH2O/c1-2-3(1)4-2;1-2/h2-3H,1H2;1H2/t2-,3+;",76.66006999999999,59.77114,
1439,[O:1]=[C:2]([C:3]([C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)([H:8])[H:9])[H:7],[O+:1](=[C-:2][H:7])[C:3]([C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)([H:8])[H:9],"InChI=1S/C4H6O2/c5-2-1-4-3-6-4/h2,4H,1,3H2/t4-/m0/s1","InChI=1S/C4H6O2/c1-5-2-4-3-6-4/h1,4H,2-3H2/t4-/m0/s1",109.8552,69.51371999999999,
1440,[O:1]=[C:2]([C:3]([C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)([H:8])[H:9])[H:7],[O:1]=[C:2]([O:6][C:5]([C:4](=[C:3]([H:8])[H:9])[H:10])([H:11])[H:12])[H:7],"InChI=1S/C4H6O2/c5-2-1-4-3-6-4/h2,4H,1,3H2/t4-/m0/s1","InChI=1S/C4H6O2/c1-2-3-6-4-5/h2,4H,1,3H2",36.24966,-22.41868,
1441,[O:1]=[C:2]([C:3]([C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)([H:8])[H:9])[H:7],[O:1]([C:2](=[C:3]([H:8])[H:9])[H:7])[C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1,"InChI=1S/C4H6O2/c5-2-1-4-3-6-4/h2,4H,1,3H2/t4-/m0/s1","InChI=1S/C4H6O2/c1-2-5-4-3-6-4/h2,4H,1,3H2/t4-/m1/s1",74.53594,13.14453,ketoenol
1442,[O:1]=[C:2]([C:3]([C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)([H:8])[H:9])[H:7],[C:4]1([H:8])([H:10])[C:5]([H:11])([H:12])[O:6]1.[O:1]=[C:2]=[C:3]([H:7])[H:9],"InChI=1S/C4H6O2/c5-2-1-4-3-6-4/h2,4H,1,3H2/t4-/m0/s1",InChI=1S/C2H4O.C2H2O/c1-2-3-1;1-2-3/h1-2H2;1H2,80.87469,18.49191,
1443,[O:1]=[C:2]([C:3]([C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)([H:8])[H:9])[H:7],[C:4]([C:5]([H:7])([H:11])[H:12])(=[O:6])[H:10].[O:1]=[C:2]=[C:3]([H:8])[H:9],"InChI=1S/C4H6O2/c5-2-1-4-3-6-4/h2,4H,1,3H2/t4-/m0/s1","InChI=1S/C2H4O.C2H2O/c2*1-2-3/h2H,1H3;1H2",48.60778,-8.99387,
1444,[O:1]=[C:2]([C:3]([C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)([H:8])[H:9])[H:7],[H:8][H:10].[O:1]=[C:2](/[C:3](=[C:4]1\[C:5]([H:11])([H:12])[O:6]1)[H:9])[H:7],"InChI=1S/C4H6O2/c5-2-1-4-3-6-4/h2,4H,1,3H2/t4-/m0/s1","InChI=1S/C4H4O2.H2/c5-2-1-4-3-6-4;/h1-2H,3H2;1H/b4-1+;",94.58162,25.85667,
1445,[O:1]=[C:2]([C:3]([C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)([H:8])[H:9])[H:7],[O:1]=[C:2]([C:3]([C:4][C:5]([O:6][H:10])([H:11])[H:12])([H:8])[H:9])[H:7],"InChI=1S/C4H6O2/c5-2-1-4-3-6-4/h2,4H,1,3H2/t4-/m0/s1","InChI=1S/C4H6O2/c5-3-1-2-4-6/h3,6H,1,4H2",67.54586,66.06335,
1446,[O:1]=[C:2]([C:3]([C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)([H:8])[H:9])[H:7],[O:1]=[C:2]([C:3]([C:4](=[O+:6][C-:5]([H:11])[H:12])[H:10])([H:8])[H:9])[H:7],"InChI=1S/C4H6O2/c5-2-1-4-3-6-4/h2,4H,1,3H2/t4-/m0/s1","InChI=1S/C4H6O2/c1-6-4-2-3-5/h3-4H,1-2H2",50.60287,41.85925,
1447,[O:1]=[C:2]([C:3]([C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)([H:8])[H:9])[H:7],[O:1]=[C:2]([C:3]([C-:4]=[O+:6][C:5]([H:10])([H:11])[H:12])([H:8])[H:9])[H:7],"InChI=1S/C4H6O2/c5-2-1-4-3-6-4/h2,4H,1,3H2/t4-/m0/s1","InChI=1S/C4H6O2/c1-6-4-2-3-5/h3H,2H2,1H3",72.60935,41.61769,
1448,[O:1]=[C:2]([C:3]([C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)([H:8])[H:9])[H:7],[O:1]=[C:2]([C:3]([C:4](=[C:5]([H:11])[H:12])[H:10])([H:8])[H:9])[O:6][H:7],"InChI=1S/C4H6O2/c5-2-1-4-3-6-4/h2,4H,1,3H2/t4-/m0/s1","InChI=1S/C4H6O2/c1-2-3-4(5)6/h2H,1,3H2,(H,5,6)",78.68701,-38.60333,
1449,[O:1]=[C:2]([C:3]([C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)([H:8])[H:9])[H:7],[O:1]([C:2][C:3]([C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)([H:8])[H:9])[H:7],"InChI=1S/C4H6O2/c5-2-1-4-3-6-4/h2,4H,1,3H2/t4-/m0/s1","InChI=1S/C4H6O2/c5-2-1-4-3-6-4/h4-5H,1,3H2/t4-/m0/s1",81.38856,55.6917,
1450,[C:1]([C:2]#[C:3][C:4]#[C:5][C:6]([H:10])([H:11])[H:12])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]=[C:4]=[C:5]=[C:6]([H:10])[H:11])[H:12])([H:7])([H:8])[H:9],InChI=1S/C6H6/c1-3-5-6-4-2/h1-2H3,"InChI=1S/C6H6/c1-3-5-6-4-2/h4H,1H2,2H3",73.48021,4.08882,Intra_ene_reaction
1451,[C:1]([C:2]#[C:3][C:4]#[C:5][C:6]([H:10])([H:11])[H:12])([H:7])([H:8])[H:9],[C:1]([C:2]12[C:3]3=[C:4]1[C:5]23[C:6]([H:10])([H:11])[H:12])([H:7])([H:8])[H:9],InChI=1S/C6H6/c1-3-5-6-4-2/h1-2H3,"InChI=1S/C6H6/c1-5-3-4(5)6(3,5)2/h1-2H3",92.76724,69.24407,
1452,[C:1]([C:2]#[C:3][C:4]#[C:5][C:6]([H:10])([H:11])[H:12])([H:7])([H:8])[H:9],[C:1]([C:5](=[C+:4][C:3]#[C-:2])[C:6]([H:10])([H:11])[H:12])([H:7])([H:8])[H:9],InChI=1S/C6H6/c1-3-5-6-4-2/h1-2H3,InChI=1S/C6H6/c1-4-5-6(2)3/h2-3H3,126.81101000000001,51.83996,
1453,[O:1]([C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[N:5]1[H:12])([H:7])[H:8])[H:6],[O:1]([C:2]([C@@:3]1([H:9])[C-:4]([H:11])[N+:5]1([H:10])[H:12])([H:7])[H:8])[H:6],"InChI=1S/C3H7NO/c5-2-3-1-4-3/h3-5H,1-2H2/t3-/m1/s1","InChI=1S/C3H7NO/c5-2-3-1-4-3/h1,3,5H,2,4H2/t3-/m1/s1",66.18701,56.447540000000004,
1454,[O:1]([C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[N:5]1[H:12])([H:7])[H:8])[H:6],[O:1]([C:2]([C:3][N:5]([C:4]([H:9])([H:10])[H:11])[H:12])([H:7])[H:8])[H:6],"InChI=1S/C3H7NO/c5-2-3-1-4-3/h3-5H,1-2H2/t3-/m1/s1","InChI=1S/C3H7NO/c1-4-2-3-5/h4-5H,3H2,1H3",65.24603,31.61445,
1455,[O:1]([C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[N:5]1[H:12])([H:7])[H:8])[H:6],[O:1]=[C:2]([C:3]([C:4]([N:5]([H:6])[H:12])([H:10])[H:11])([H:7])[H:9])[H:8],"InChI=1S/C3H7NO/c5-2-3-1-4-3/h3-5H,1-2H2/t3-/m1/s1","InChI=1S/C3H7NO/c4-2-1-3-5/h3H,1-2,4H2",39.64421,-20.247770000000003,
1456,[O:1]([C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[N:5]1[H:12])([H:7])[H:8])[H:6],[H:6][H:10].[O-:1][C:2]([C@@:3]1([H:9])[C+:4]([H:11])[N:5]1[H:12])([H:7])[H:8],"InChI=1S/C3H7NO/c5-2-3-1-4-3/h3-5H,1-2H2/t3-/m1/s1","InChI=1S/C3H5NO.H2/c5-2-3-1-4-3;/h1,3-4H,2H2;1H/t3-;/m1./s1",89.2969,99.11869,
1457,[O:1]([C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[N:5]1[H:12])([H:7])[H:8])[H:6],[O:1]([C:2]([C:3]([N:5]=[C:4]([H:10])[H:11])([H:9])[H:12])([H:7])[H:8])[H:6],"InChI=1S/C3H7NO/c5-2-3-1-4-3/h3-5H,1-2H2/t3-/m1/s1","InChI=1S/C3H7NO/c1-4-2-3-5/h5H,1-3H2",62.98295,-9.144739999999999,
1458,[O:1]([C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[N:5]1[H:12])([H:7])[H:8])[H:6],[O:1]([C:2]([C:3]([N:5]([C:4][H:10])[H:12])([H:9])[H:11])([H:7])[H:8])[H:6],"InChI=1S/C3H7NO/c5-2-3-1-4-3/h3-5H,1-2H2/t3-/m1/s1","InChI=1S/C3H7NO/c1-4-2-3-5/h1,4-5H,2-3H2",70.1423,34.10583,
1459,[O:1]([C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[N:5]1[H:12])([H:7])[H:8])[H:6],[H:6][H:7].[O:1]=[C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[N:5]1[H:12])[H:8],"InChI=1S/C3H7NO/c5-2-3-1-4-3/h3-5H,1-2H2/t3-/m1/s1","InChI=1S/C3H5NO.H2/c5-2-3-1-4-3;/h2-4H,1H2;1H/t3-;/m1./s1",85.12508000000001,22.6708,
1460,[O:1]([C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[N:5]1[H:12])([H:7])[H:8])[H:6],[O:1]([C:2](/[C:3](=[N:5]/[C:4]([H:10])([H:11])[H:12])[H:9])([H:7])[H:8])[H:6],"InChI=1S/C3H7NO/c5-2-3-1-4-3/h3-5H,1-2H2/t3-/m1/s1","InChI=1S/C3H7NO/c1-4-2-3-5/h2,5H,3H2,1H3/b4-2+",59.193940000000005,-14.09707,
1461,[O:1]([C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[N:5]1[H:12])([H:7])[H:8])[H:6],[O:1]([C:2]([C+:3]([N:5]([C-:4]([H:10])[H:11])[H:12])[H:9])([H:7])[H:8])[H:6],"InChI=1S/C3H7NO/c5-2-3-1-4-3/h3-5H,1-2H2/t3-/m1/s1","InChI=1S/C3H7NO/c1-4-2-3-5/h2,4-5H,1,3H2",43.09843,23.46844,
1462,[O:1]([C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[N:5]1[H:12])([H:7])[H:8])[H:6],[H:7][H:10].[O:1]([C+:2]([C@@:3]1([H:9])[C-:4]([H:11])[N:5]1[H:12])[H:8])[H:6],"InChI=1S/C3H7NO/c5-2-3-1-4-3/h3-5H,1-2H2/t3-/m1/s1",InChI=1S/C3H5NO.H2/c5-2-3-1-4-3;/h1-5H;1H/t3-;/m1./s1,82.684,88.89134,
1463,[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([C:4](=[O:5])[H:13])[H:9])([H:6])([H:7])[H:8],[C:1]([O:5]/[C:4](=[C:2](/[C:3]([H:10])([H:11])[H:12])[H:9])[H:13])([H:6])([H:7])[H:8],"InChI=1S/C4H8O/c1-4(2)3-5/h3-4H,1-2H3","InChI=1S/C4H8O/c1-3-4-5-2/h3-4H,1-2H3/b4-3+",79.78425,17.28625,ketoenol
1464,[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([C:4](=[O:5])[H:13])[H:9])([H:6])([H:7])[H:8],[C:1](=[C:2]([C:3]([H:10])([H:11])[H:12])[H:9])([H:6])[H:8].[C:4](=[O:5])([H:7])[H:13],"InChI=1S/C4H8O/c1-4(2)3-5/h3-4H,1-2H3","InChI=1S/C3H6.CH2O/c1-3-2;1-2/h3H,1H2,2H3;1H2",70.78338000000001,29.640970000000003,
1465,[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([C:4](=[O:5])[H:13])[H:9])([H:6])([H:7])[H:8],[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])=[C:4]([O:5][H:9])[H:13])([H:6])([H:7])[H:8],"InChI=1S/C4H8O/c1-4(2)3-5/h3-4H,1-2H3","InChI=1S/C4H8O/c1-4(2)3-5/h3,5H,1-2H3",66.58894000000001,3.9335699999999996,ketoenol
1466,[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([C:4](=[O:5])[H:13])[H:9])([H:6])([H:7])[H:8],[C:1]([C:2]([C:3]([O+:5]=[C-:4][H:13])([H:10])[H:12])([H:9])[H:11])([H:6])([H:7])[H:8],"InChI=1S/C4H8O/c1-4(2)3-5/h3-4H,1-2H3","InChI=1S/C4H8O/c1-3-4-5-2/h2H,3-4H2,1H3",104.7057,69.10803,
1467,[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([C:4](=[O:5])[H:13])[H:9])([H:6])([H:7])[H:8],[C:1]([C:2]([C:4](=[O+:5][C-:3]([H:10])[H:12])[H:13])([H:9])[H:11])([H:6])([H:7])[H:8],"InChI=1S/C4H8O/c1-4(2)3-5/h3-4H,1-2H3","InChI=1S/C4H8O/c1-3-4-5-2/h4H,2-3H2,1H3",102.61899,63.75206,
1468,[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([C:4](=[O:5])[H:13])[H:9])([H:6])([H:7])[H:8],[C-:4]#[O+:5].[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([H:9])[H:13])([H:6])([H:7])[H:8],"InChI=1S/C4H8O/c1-4(2)3-5/h3-4H,1-2H3","InChI=1S/C3H8.CO/c1-3-2;1-2/h3H2,1-2H3;",75.3374,-0.69757,"1,2_Insertion_CO"
1469,[C:1]([C:2]([C:3]([O:4][H:12])([H:10])[H:11])([H:8])[H:9])([H:5])([H:6])[H:7],[C:1]([C:2]([H:8])([H:9])[H:10])([H:5])([H:6])[H:7].[C:3]([O:4][H:12])[H:11],"InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3",InChI=1S/C2H6.CH2O/c2*1-2/h1-2H3;1-2H,72.23666,69.76589,
1470,[C:1]([C:2]([C:3]([O:4][H:12])([H:10])[H:11])([H:8])[H:9])([H:5])([H:6])[H:7],[C:1](=[C:2]([C:3]([O:4][H:12])([H:10])[H:11])[H:9])([H:5])[H:7].[H:6][H:8],"InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3","InChI=1S/C3H6O.H2/c1-2-3-4;/h2,4H,1,3H2;1H",109.64232,32.64705,
1471,[C:1]([C:2]([C:3]([O:4][H:12])([H:10])[H:11])([H:8])[H:9])([H:5])([H:6])[H:7],[C:1]([C:2]([O:4][H:12])([H:8])[H:9])([H:5])([H:6])[H:7].[C:3]([H:10])[H:11],"InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3","InChI=1S/C2H6O.CH2/c1-2-3;/h3H,2H2,1H3;1H2",113.18418,117.35316,"1,2_Insertion_carbene"
1472,[C:1]([C:2]([C:3]([O:4][H:12])([H:10])[H:11])([H:8])[H:9])([H:5])([H:6])[H:7],[C:1](=[C:2]([H:8])[H:9])([H:5])[H:7].[C:3](=[O:4])([H:10])[H:11].[H:6][H:12],"InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3",InChI=1S/C2H4.CH2O.H2/c2*1-2;/h1-2H2;1H2;1H,64.37564,48.17224,
1473,[C:1]([C:2]([C:3]([O:4][H:12])([H:10])[H:11])([H:8])[H:9])([H:5])([H:6])[H:7],[C:1]([C:2]([C:3](=[O:4])[H:10])([H:9])[H:11])([H:5])([H:6])[H:7].[H:8][H:12],"InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3","InChI=1S/C3H6O.H2/c1-2-3-4;/h3H,2H2,1H3;1H",76.07181,17.15778,
1474,[C:1]([C:2]([C:3]([O:4][H:12])([H:10])[H:11])([H:8])[H:9])([H:5])([H:6])[H:7],[C:1]([C:2](=[C:3]([H:10])[H:11])[H:9])([H:5])([H:6])[H:7].[O:4]([H:8])[H:12],"InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3","InChI=1S/C3H6.H2O/c1-3-2;/h3H,1H2,2H3;1H2",60.30196,9.36435,"1,3_Insertion_ROR"
1475,[C:1]([O:2][C:3]([C:4](=[O:5])[C:6]([H:12])([H:13])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:2][C:3]([C:4]([O:5][H:12])=[C:6]([H:13])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-4(5)3-6-2/h3H2,1-2H3","InChI=1S/C4H8O2/c1-4(5)3-6-2/h5H,1,3H2,2H3",62.132740000000005,8.85256,ketoenol
1476,[C:1]([O:2][C:3]([C:4](=[O:5])[C:6]([H:12])([H:13])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:2][C:3]([H:10])([H:11])[H:12])([H:7])([H:8])[H:9].[C:4](=[O:5])=[C:6]([H:13])[H:14],"InChI=1S/C4H8O2/c1-4(5)3-6-2/h3H2,1-2H3",InChI=1S/C2H6O.C2H2O/c1-3-2;1-2-3/h1-2H3;1H2,76.86242,22.363410000000002,
1477,[C:1]([O:2][C:3]([C:4](=[O:5])[C:6]([H:12])([H:13])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:2]/[C:3](=[C:4](/[O:5][H:10])[C:6]([H:12])([H:13])[H:14])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-4(5)3-6-2/h3H2,1-2H3","InChI=1S/C4H8O2/c1-4(5)3-6-2/h3,5H,1-2H3/b4-3+",60.795919999999995,7.324269999999999,ketoenol
1478,[C:1]([O:2][C:3]([C:4](=[O:5])[C:6]([H:12])([H:13])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9],[C-:1]([O+:2]=[C:3]([H:10])[H:11])([H:7])[H:9].[C:4](=[O:5])([C:6]([H:12])([H:13])[H:14])[H:8],"InChI=1S/C4H8O2/c1-4(5)3-6-2/h3H2,1-2H3","InChI=1S/2C2H4O/c1-3-2;1-2-3/h1-2H2;2H,1H3",64.45814,69.72959,
1479,[C:1]([O:2][C:3]([C:4](=[O:5])[C:6]([H:12])([H:13])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](=[O:2])([H:7])[H:9].[C:3](=[C:4]([O:5][H:8])[C:6]([H:12])([H:13])[H:14])([H:10])[H:11],"InChI=1S/C4H8O2/c1-4(5)3-6-2/h3H2,1-2H3","InChI=1S/C3H6O.CH2O/c1-3(2)4;1-2/h4H,1H2,2H3;1H2",45.592459999999996,12.15738,Retroene
1480,[C:1]([O:2][C:3]([C:4](=[O:5])[C:6]([H:12])([H:13])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:2][C@:3]1([H:11])[C:4](=[C:6]([H:13])[H:14])[O:5]1)([H:7])([H:8])[H:9].[H:10][H:12],"InChI=1S/C4H8O2/c1-4(5)3-6-2/h3H2,1-2H3","InChI=1S/C4H6O2.H2/c1-3-4(5-2)6-3;/h4H,1H2,2H3;1H/t4-;/m0./s1",85.87316,53.060280000000006,
1481,[C:1]([O:2][C:3]([C:4](=[O:5])[C:6]([H:12])([H:13])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:2][C@@:4]1([C:6]([H:12])([H:13])[H:14])[C:3]([H:10])([H:11])[O:5]1)([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-4(5)3-6-2/h3H2,1-2H3","InChI=1S/C4H8O2/c1-4(5-2)3-6-4/h3H2,1-2H3/t4-/m1/s1",66.67359,18.6054,
1482,[C:1]([O:2][C:3]([C:4](=[O:5])[C:6]([H:12])([H:13])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:2][C@@:3]1([H:11])[C@@:4]([C:6]([H:12])([H:13])[H:14])([H:10])[O:5]1)([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-4(5)3-6-2/h3H2,1-2H3","InChI=1S/C4H8O2/c1-3-4(5-2)6-3/h3-4H,1-2H3/t3-,4+/m0/s1",68.32309000000001,18.81598,
1483,[C:1]([O:2][C:3]([C:4](=[O:5])[C:6]([H:12])([H:13])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]1([H:7])([H:8])[O:2][C:3]([H:10])([H:11])[C:4]1=[O:5].[C:6]([H:9])([H:12])([H:13])[H:14],"InChI=1S/C4H8O2/c1-4(5)3-6-2/h3H2,1-2H3",InChI=1S/C3H4O2.CH4/c4-3-1-5-2-3;/h1-2H2;1H4,89.18621999999999,18.06648,
1484,[C:1]([O:2][C:3]([C:4]([O:5][C:6]([H:14])([H:15])[H:16])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:2][H:13])([H:7])([H:8])[H:9].[C:3](=[C:4]([O:5][C:6]([H:14])([H:15])[H:16])[H:12])([H:10])[H:11],"InChI=1S/C4H10O2/c1-5-3-4-6-2/h3-4H2,1-2H3","InChI=1S/C3H6O.CH4O/c1-3-4-2;1-2/h3H,1H2,2H3;2H,1H3",60.6324,8.43821,"1,3_Insertion_ROR"
1485,[C:1]([O:2][C:3]([C:4]([O:5][C:6]([H:14])([H:15])[H:16])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C-:1]([O+:2]=[C:3]([H:10])[H:11])([H:7])[H:9].[C:4]([O:5][C:6]([H:14])([H:15])[H:16])([H:8])([H:12])[H:13],"InChI=1S/C4H10O2/c1-5-3-4-6-2/h3-4H2,1-2H3",InChI=1S/C2H6O.C2H4O/c2*1-3-2/h1-2H3;1-2H2,78.93285999999999,65.47457,
1486,[C:1]([O:2][C:3]([C:4]([O:5][C:6]([H:14])([H:15])[H:16])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:2][C:3]([C:4](=[O+:5][C-:6]([H:14])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9].[H:13][H:16],"InChI=1S/C4H10O2/c1-5-3-4-6-2/h3-4H2,1-2H3","InChI=1S/C4H8O2.H2/c1-5-3-4-6-2;/h3H,1,4H2,2H3;1H",68.29303,70.76754,
1487,[N:1]([C:2](=[O:3])[C:4](=[O:5])[H:8])([H:6])[H:7],[N:1](=[C:2](/[O:3][H:6])[C:4](=[O:5])[H:8])\[H:7],"InChI=1S/C2H3NO2/c3-2(5)1-4/h1H,(H2,3,5)","InChI=1S/C2H3NO2/c3-2(5)1-4/h1H,(H2,3,5)",45.18143,10.38833,ketoenol
1488,[N:1]([C:2](=[O:3])[C:4](=[O:5])[H:8])([H:6])[H:7],[C-:4]#[O+:5].[N:1]([C:2][O:3][H:8])([H:6])[H:7],"InChI=1S/C2H3NO2/c3-2(5)1-4/h1H,(H2,3,5)","InChI=1S/CH3NO.CO/c2-1-3;1-2/h3H,2H2;",52.98314,44.13661,
1489,[N:1]([C:2](=[O:3])[C:4](=[O:5])[H:8])([H:6])[H:7],[N:1]([C-:2]=[O+:3][C:4](=[O:5])[H:8])([H:6])[H:7],"InChI=1S/C2H3NO2/c3-2(5)1-4/h1H,(H2,3,5)","InChI=1S/C2H3NO2/c3-1-5-2-4/h2H,3H2",50.46924,37.94998,
1490,[N:1]([C:2](=[O:3])[C:4](=[O:5])[H:8])([H:6])[H:7],[N:1]([C:2](=[O:3])[O+:5]=[C-:4][H:8])([H:6])[H:7],"InChI=1S/C2H3NO2/c3-2(5)1-4/h1H,(H2,3,5)","InChI=1S/C2H3NO2/c1-5-2(3)4/h1H,(H2,3,4)",75.39668,63.88844,
1491,[N:1]([C:2](=[O:3])[C:4](=[O:5])[H:8])([H:6])[H:7],[C:4](=[O:5])([H:7])[H:8].[N:1](=[C:2]=[O:3])[H:6],"InChI=1S/C2H3NO2/c3-2(5)1-4/h1H,(H2,3,5)",InChI=1S/CHNO.CH2O/c2-1-3;1-2/h2H;1H2,76.37934,16.68981,
1492,[N:1]([C:2](=[O:3])[C:4](=[O:5])[H:8])([H:6])[H:7],[N:1]([C:2]([O-:3])=[C:4]=[O+:5][H:8])([H:6])[H:7],"InChI=1S/C2H3NO2/c3-2(5)1-4/h1H,(H2,3,5)","InChI=1S/C2H3NO2/c3-2(5)1-4/h5H,3H2",85.92038000000001,51.4499,
1493,[C:1]([C:2]([O:3][C:4](=[O:5])[C:6]([H:12])([H:13])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([O:3][H:14])([H:10])[H:11])([H:7])([H:8])[H:9].[C:4](=[O:5])=[C:6]([H:12])[H:13],"InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3","InChI=1S/C2H6O.C2H2O/c2*1-2-3/h3H,2H2,1H3;1H2",65.86593,34.802479999999996,"1,3_Insertion_ROR"
1494,[C:1]([C:2]([O:3][C:4](=[O:5])[C:6]([H:12])([H:13])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]([H:10])[H:11])([H:8])[H:9].[O:3]=[C:4]([O:5][H:7])[C:6]([H:12])([H:13])[H:14],"InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3","InChI=1S/C2H4O2.C2H4/c1-2(3)4;1-2/h1H3,(H,3,4);1-2H2",39.62246,13.4298,Retroene
1495,[C:1]([C:2]([O:3][C:4](=[O:5])[C:6]([H:12])([H:13])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([O:3][C:4]([O:5][H:14])=[C:6]([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3","InChI=1S/C4H8O2/c1-3-6-4(2)5/h5H,2-3H2,1H3",68.00859,25.92633,ketoenol
1496,[C:1]([C:2]([O:3][C:4](=[O:5])[C:6]([H:12])([H:13])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([O:3][C@@:4]1([H:14])[O:5][C:6]1([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3","InChI=1S/C4H8O2/c1-2-5-4-3-6-4/h4H,2-3H2,1H3/t4-/m0/s1",100.72641,45.7561,
1497,[C:1]([C:2]([O:3][C:4](=[O:5])[C:6]([H:12])([H:13])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](=[O:3])[H:10])([H:7])([H:8])[H:9].[C:4](=[O:5])([C:6]([H:12])([H:13])[H:14])[H:11],"InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3","InChI=1S/2C2H4O/c2*1-2-3/h2*2H,1H3",64.05751,26.63052,
1498,[C:1]([C:2]([O:3][C:4](=[O:5])[C:6]([H:12])([H:13])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[O:3][C:4](=[C:6]([H:12])[H:13])[O:5]1.[H:7][H:14],"InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3",InChI=1S/C4H6O2.H2/c1-4-5-2-3-6-4;/h1-3H2;1H,101.74965,49.42153,
1499,[C:1]([C:2]([O:3][C:4](=[O:5])[C:6]([H:12])([H:13])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9],[C-:2](=[O+:3][C:4](=[O:5])[C:6]([H:12])([H:13])[H:14])[H:10].[C:1]([H:7])([H:8])([H:9])[H:11],"InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3","InChI=1S/C3H4O2.CH4/c1-3(4)5-2;/h2H,1H3;1H4",80.77635,78.01281999999999,
1500,[C:1]([C:2]([O:3][C:4](=[O:5])[C:6]([H:12])([H:13])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([H:10])([H:11])[H:14])([H:7])([H:8])[H:9].[O:3]=[C:4]1[O:5][C:6]1([H:12])[H:13],"InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3",InChI=1S/C2H2O2.C2H6/c3-2-1-4-2;1-2/h1H2;1-2H3,73.97568000000001,40.01807,
1501,[C:1]([C:2]([O:3][C:4](=[O:5])[C:6]([H:12])([H:13])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[O:3][C@@:4]1([O:5][H:7])[C:6]([H:12])([H:13])[H:14],"InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3","InChI=1S/C4H8O2/c1-4(5)2-3-6-4/h5H,2-3H2,1H3/t4-/m0/s1",88.97312,26.77818,
1502,[C:1]([C:2]1([O:3][H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([C:2]1([O:3][H:10])[C:4]([H:11])([H:12])[C:5]1([H:13])[H:14])([H:7])([H:8])[H:9].[C:6]([H:15])[H:16],"InChI=1S/C5H10O/c1-5(6)3-2-4-5/h6H,2-4H2,1H3","InChI=1S/C4H8O.CH2/c1-4(5)2-3-4;/h5H,2-3H2,1H3;1H2",110.92375,121.4526,
1503,[C:1]([C:2]1([O:3][H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1](=[C:2]([O:3][H:10])[C:4]1([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:7])[H:9].[H:8][H:11],"InChI=1S/C5H10O/c1-5(6)3-2-4-5/h6H,2-4H2,1H3","InChI=1S/C5H8O.H2/c1-4(6)5-2-3-5;/h5-6H,1-3H2;1H",97.36879,27.986240000000002,
1504,[C:1]([C:2]1([O:3][H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([C@:2]1([O:3][H:10])[C:4]([H:12])=[C:5]([H:14])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9].[H:11][H:13],"InChI=1S/C5H10O/c1-5(6)3-2-4-5/h6H,2-4H2,1H3","InChI=1S/C5H8O.H2/c1-5(6)3-2-4-5;/h2-3,6H,4H2,1H3;1H/t5-;/m0./s1",111.40358,35.235009999999996,
1505,[C:1]([C:2]1([O:3][H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([C:2]1=[C:6]([H:16])[C:5]([H:13])([H:14])[C:4]1([H:11])[H:12])([H:7])([H:8])[H:9].[O:3]([H:10])[H:15],"InChI=1S/C5H10O/c1-5(6)3-2-4-5/h6H,2-4H2,1H3","InChI=1S/C5H8.H2O/c1-5-3-2-4-5;/h3H,2,4H2,1H3;1H2",61.8488,16.18832,"1,3_Insertion_ROR"
1506,[C:1]([C:2]1([O:3][H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([C:2][O:3][H:10])([H:7])([H:8])[H:9].[C:4]1([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16],"InChI=1S/C5H10O/c1-5(6)3-2-4-5/h6H,2-4H2,1H3","InChI=1S/C3H6.C2H4O/c1-2-3-1;1-2-3/h1-3H2;3H,1H3",95.32722,72.07859,
1507,[C:1]([C:2]1([O:3][H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([C:2]([O:3][H:10])([C:4]([H:11])([H:12])[H:13])[C:6]([C:5][H:14])([H:15])[H:16])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-5(6)3-2-4-5/h6H,2-4H2,1H3","InChI=1S/C5H10O/c1-4-5(2,3)6/h1,6H,4H2,2-3H3",78.91526999999999,78.2819,
1508,[C:1]([C:2]1([O:3][H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([C:2](=[O:3])[C:6]([C:5]([C:4]([H:10])([H:11])[H:12])([H:13])[H:14])([H:15])[H:16])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-5(6)3-2-4-5/h6H,2-4H2,1H3","InChI=1S/C5H10O/c1-3-4-5(2)6/h3-4H2,1-2H3",62.561609999999995,-17.535870000000003,
1509,[C:1]([C:2]1([O:3][H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([C:2]([O:3][H:10])=[C:4]([H:11])[H:12])([H:7])([H:8])[H:9].[C:5](=[C:6]([H:15])[H:16])([H:13])[H:14],"InChI=1S/C5H10O/c1-5(6)3-2-4-5/h6H,2-4H2,1H3","InChI=1S/C3H6O.C2H4/c1-3(2)4;1-2/h4H,1H2,2H3;1-2H2",74.16929,13.17586,
1510,[C:1]([C:2]1([O:3][H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([C:2]1([C:4]([O:3][H:10])([H:11])[H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-5(6)3-2-4-5/h6H,2-4H2,1H3","InChI=1S/C5H10O/c1-5(4-6)2-3-5/h6H,2-4H2,1H3",79.64321,5.66988,
1511,[C:1]([C:2]1([O:3][H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]1([H:7])([H:8])[C:2](=[O:3])[C:6]([H:15])([H:16])[C:5]([H:13])([H:14])[C:4]1([H:11])[H:12].[H:9][H:10],"InChI=1S/C5H10O/c1-5(6)3-2-4-5/h6H,2-4H2,1H3",InChI=1S/C5H8O.H2/c6-5-3-1-2-4-5;/h1-4H2;1H,79.08259,-1.5588600000000001,
1512,[O:1]([C:2]12[C:3]([H:8])([H:9])[N:4]([C:5]1([H:10])[H:11])[C:6]2([H:12])[H:13])[H:7],[O:1]([C:2][C:6]([N:4]1[C:3]([H:8])([H:9])[C:5]1([H:10])[H:11])([H:12])[H:13])[H:7],"InChI=1S/C4H7NO/c6-4-1-5(2-4)3-4/h6H,1-3H2","InChI=1S/C4H7NO/c6-4-3-5-1-2-5/h6H,1-3H2",95.18794,28.681929999999998,
1513,[O:1]([C:2]12[C:3]([H:8])([H:9])[N:4]([C:5]1([H:10])[H:11])[C:6]2([H:12])[H:13])[H:7],[O:1]([C:2]1([C:3][H:9])[C:5]([H:10])([H:11])[N:4]([H:8])[C:6]1([H:12])[H:13])[H:7],"InChI=1S/C4H7NO/c6-4-1-5(2-4)3-4/h6H,1-3H2","InChI=1S/C4H7NO/c1-4(6)2-5-3-4/h1,5-6H,2-3H2",68.20983000000001,52.569280000000006,
1514,[O:1]([C:2]12[C:3]([H:8])([H:9])[N:4]([C:5]1([H:10])[H:11])[C:6]2([H:12])[H:13])[H:7],[O:1]([C:2][C:5]([N+:4]([C-:3]([H:8])[H:9])=[C:6]([H:12])[H:13])([H:10])[H:11])[H:7],"InChI=1S/C4H7NO/c6-4-1-5(2-4)3-4/h6H,1-3H2","InChI=1S/C4H7NO/c1-5(2)3-4-6/h6H,1-3H2",36.971109999999996,44.70567,
1515,[O:1]([C:2]12[C:3]([H:8])([H:9])[N:4]([C:5]1([H:10])[H:11])[C:6]2([H:12])[H:13])[H:7],[O:1]([C:2]12[C:3]([H:8])([H:9])[N+:4]([H:12])([C:5]1([H:10])[H:11])[C-:6]2[H:13])[H:7],"InChI=1S/C4H7NO/c6-4-1-5(2-4)3-4/h6H,1-3H2","InChI=1S/C4H7NO/c6-4-1-5(2-4)3-4/h1,5-6H,2-3H2",68.21914,57.841719999999995,
1516,[O:1]([C:2]12[C:3]([H:8])([H:9])[N:4]([C:5]1([H:10])[H:11])[C:6]2([H:12])[H:13])[H:7],[O:1]([C:3]([C:2]12[N:4]([C:5]1([H:10])[H:11])[C:6]2([H:12])[H:13])([H:8])[H:9])[H:7],"InChI=1S/C4H7NO/c6-4-1-5(2-4)3-4/h6H,1-3H2","InChI=1S/C4H7NO/c6-3-4-1-5(4)2-4/h6H,1-3H2",52.6397,-9.75736,
1517,[C:1]([C:2](=[O:3])[N:4]1[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])([H:7])([H:8])[H:9],[C:1](=[C:2]([O:3][H:9])[N:4]1[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])([H:7])[H:8],"InChI=1S/C4H7NO/c1-4(6)5-2-3-5/h2-3H2,1H3","InChI=1S/C4H7NO/c1-4(6)5-2-3-5/h6H,1-3H2",63.778459999999995,17.83217,ketoenol
1518,[C:1]([C:2](=[O:3])[N:4]1[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])([H:7])([H:8])[H:9],[C:1]([C:2]1=[N:4][C:6]([H:12])([H:13])[C:5]([H:10])([H:11])[O:3]1)([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4(6)5-2-3-5/h2-3H2,1H3","InChI=1S/C4H7NO/c1-4-5-2-3-6-4/h2-3H2,1H3",36.84645,-15.578079999999998,ketoenol
1519,[C:1]([C:2](=[O:3])[N:4]1[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])([H:7])([H:8])[H:9],[C:1]([C:2](=[O:3])[N+:4]([C-:5]([H:10])[H:11])=[C:6]([H:12])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4(6)5-2-3-5/h2-3H2,1H3","InChI=1S/C4H7NO/c1-4(6)5(2)3/h2-3H2,1H3",36.45058,30.09773,
1520,[C:1]([C:2](=[O:3])[N:4]1[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])([H:7])([H:8])[H:9],[C:1]([C:2](=[O:3])[C:5]([N:4]=[C:6]([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4(6)5-2-3-5/h2-3H2,1H3","InChI=1S/C4H7NO/c1-4(6)3-5-2/h2-3H2,1H3",69.04261,-4.058669999999999,
1521,[C:1]([C:2](=[O:3])[N:4]1[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])([H:7])([H:8])[H:9],[C:1]([C:2](=[O:3])[H:11])([H:7])([H:8])[H:9].[N:4]1=[C:5]([H:10])[C:6]1([H:12])[H:13],"InChI=1S/C4H7NO/c1-4(6)5-2-3-5/h2-3H2,1H3","InChI=1S/C2H3N.C2H4O/c1-2-3-1;1-2-3/h1H,2H2;2H,1H3",76.76632,39.74965,
1522,[C:1]([C:2](=[O:3])[N:4]1[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])([H:7])([H:8])[H:9],[C:1]([C:2]([O:3][H:13])=[N+:4]1[C:5]([H:10])([H:11])[C-:6]1[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4(6)5-2-3-5/h2-3H2,1H3","InChI=1S/C4H7NO/c1-4(6)5-2-3-5/h2,6H,3H2,1H3",60.56142,54.67364,
1523,[C:1]([C:2](=[O:3])[N:4]1[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])([H:7])([H:8])[H:9],[C:1]([N:4]=[C:2]=[O:3])([H:7])([H:8])[H:9].[C:5](=[C:6]([H:12])[H:13])([H:10])[H:11],"InChI=1S/C4H7NO/c1-4(6)5-2-3-5/h2-3H2,1H3",InChI=1S/C2H3NO.C2H4/c1-3-2-4;1-2/h1H3;1-2H2,51.72023,-3.33112,
1524,[C:1]([C:2](=[O:3])[N:4]1[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])([H:7])([H:8])[H:9],[C:1]([C:2](=[O:3])[N+:4]1([H:12])[C:5]([H:10])([H:11])[C-:6]1[H:13])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4(6)5-2-3-5/h2-3H2,1H3","InChI=1S/C4H7NO/c1-4(6)5-2-3-5/h2,5H,3H2,1H3",65.37787,58.061930000000004,
1525,[C:1]([C:2](=[O:3])[N:4]1[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])([H:7])([H:8])[H:9],[C:1]([C:2]1=[N+:4]([C-:5]([H:10])[H:11])[C:6]([H:12])([H:13])[O:3]1)([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4(6)5-2-3-5/h2-3H2,1H3","InChI=1S/C4H7NO/c1-4-5(2)3-6-4/h2-3H2,1H3",69.70934,58.0434,
1526,[C:1]([C:2](=[O:3])[N:4]1[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])([H:7])([H:8])[H:9],[C:1]([C@:2]12[O:3][N:4]1[C:5]([H:10])([H:11])[C:6]2([H:12])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4(6)5-2-3-5/h2-3H2,1H3","InChI=1S/C4H7NO/c1-4-2-3-5(4)6-4/h2-3H2,1H3/t4-,5?/m1/s1",83.52883,49.50715,
1527,[C:1]([C:2](=[O:3])[N:4]1[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])([H:7])([H:8])[H:9],[C:1]1([H:7])([H:8])[C@:2]([N:4]2[C:5]([H:10])([H:11])[C:6]2([H:12])[H:13])([H:9])[O:3]1,"InChI=1S/C4H7NO/c1-4(6)5-2-3-5/h2-3H2,1H3","InChI=1S/C4H7NO/c1-2-5(1)4-3-6-4/h4H,1-3H2/t4-/m0/s1",96.68127,37.22442,
1528,[C:1]([C:2](=[O:3])[N:4]1[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])([H:7])([H:8])[H:9],[C:1]([N:4]1[C:2](=[O:3])[C:6]([H:12])([H:13])[C:5]1([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4(6)5-2-3-5/h2-3H2,1H3","InChI=1S/C4H7NO/c1-5-3-2-4(5)6/h2-3H2,1H3",77.70138,-13.7882,
1529,[C:1]([C:2](=[O:3])[N:4]1[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])([H:7])([H:8])[H:9],[C:1](/[C:2]([O:3][H:12])=[N:4]/[C:6](=[C:5]([H:10])[H:11])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4(6)5-2-3-5/h2-3H2,1H3","InChI=1S/C4H7NO/c1-3-5-4(2)6/h3H,1H2,2H3,(H,5,6)",44.745020000000004,-14.316070000000002,
1530,[C:1]([C:2]#[C:3][C:4](=[O:5])[H:9])([H:6])([H:7])[H:8],[C:1](=[C:2]([C+:3]=[C:4]([O-:5])[H:9])[H:7])([H:6])[H:8],"InChI=1S/C4H4O/c1-2-3-4-5/h4H,1H3","InChI=1S/C4H4O/c1-2-3-4-5/h2,4H,1H2",63.6195,48.27202,
1531,[C:1]([C:2]#[C:3][C:4](=[O:5])[H:9])([H:6])([H:7])[H:8],[C:1](=[C:2]=[C:3]([C:4](=[O:5])[H:9])[H:7])([H:6])[H:8],"InChI=1S/C4H4O/c1-2-3-4-5/h4H,1H3","InChI=1S/C4H4O/c1-2-3-4-5/h3-4H,1H2",86.12634,-3.06898,
1532,[C:1]([C:2]#[C:3][C:4](=[O:5])[H:9])([H:6])([H:7])[H:8],[C:1]([C:2](=[C:3])[C:4](=[O:5])[H:9])([H:6])([H:7])[H:8],"InChI=1S/C4H4O/c1-2-3-4-5/h4H,1H3","InChI=1S/C4H4O/c1-4(2)3-5/h3H,1H3",51.8357,50.58739,
1533,[C:1]([C:2]#[C:3][C:4](=[O:5])[H:9])([H:6])([H:7])[H:8],[C:1]([C:2](=[C:3]=[C:4]=[O:5])[H:9])([H:6])([H:7])[H:8],"InChI=1S/C4H4O/c1-2-3-4-5/h4H,1H3","InChI=1S/C4H4O/c1-2-3-4-5/h2H,1H3",72.21175,-6.51016,
1534,[C:1]([C:2]#[C:3][C:4](=[O:5])[H:9])([H:6])([H:7])[H:8],[C:1](=[C:2]=[C:3]=[C:4]([O:5][H:7])[H:9])([H:6])[H:8],"InChI=1S/C4H4O/c1-2-3-4-5/h4H,1H3","InChI=1S/C4H4O/c1-2-3-4-5/h4-5H,1H2",54.09523000000001,7.193010000000001,
1535,[C:1]([C:2]#[C:3][C:4](=[O:5])[H:9])([H:6])([H:7])[H:8],[C:1]([C+:2]=[C:3]=[C-:4][O:5][H:9])([H:6])([H:7])[H:8],"InChI=1S/C4H4O/c1-2-3-4-5/h4H,1H3","InChI=1S/C4H4O/c1-2-3-4-5/h5H,1H3",76.27672,47.84937,
1536,[C:1]([C:2]#[C:3][C:4](=[O:5])[H:9])([H:6])([H:7])[H:8],[C:1]([C:2]([C:3]#[C:4][H:9])=[O:5])([H:6])([H:7])[H:8],"InChI=1S/C4H4O/c1-2-3-4-5/h4H,1H3","InChI=1S/C4H4O/c1-3-4(2)5/h1H,2H3",71.24802,0.70509,
1537,[C:1]([C:2]#[C:3][C:4](=[O:5])[H:9])([H:6])([H:7])[H:8],[C:1](=[C:2]=[C:3]=[C:4]=[O:5])([H:6])[H:8].[H:7][H:9],"InChI=1S/C4H4O/c1-2-3-4-5/h4H,1H3",InChI=1S/C4H2O.H2/c1-2-3-4-5;/h1H2;1H,54.13527,22.68135,
1538,[C:1]([C:2]([C@@:3]([C:4]([H:13])([H:14])[H:15])([C:5](=[O:6])[H:16])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C@@:3]1([H:12])[C@:5]([C:4]([H:13])([H:14])[H:15])([H:16])[O:6]1)([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-3-5(2)4-6/h4-5H,3H2,1-2H3/t5-/m1/s1","InChI=1S/C5H10O/c1-3-5-4(2)6-5/h4-5H,3H2,1-2H3/t4-,5+/m1/s1",70.86973,19.90859,
1539,[C:1]([C:2]([C@@:3]([C:4]([H:13])([H:14])[H:15])([C:5](=[O:6])[H:16])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([O:6]/[C:5](=[C:3](\[C:4]([H:13])([H:14])[H:15])[H:12])[H:16])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-3-5(2)4-6/h4-5H,3H2,1-2H3/t5-/m1/s1","InChI=1S/C5H10O/c1-3-5-6-4-2/h3,5H,4H2,1-2H3/b5-3-",76.90025,18.389470000000003,ketoenol
1540,[C:1]([C:2]([C@@:3]([C:4]([H:13])([H:14])[H:15])([C:5](=[O:6])[H:16])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](/[C:3](=[C:5](\[O:6][C:4]([H:13])([H:14])[H:15])[H:16])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-3-5(2)4-6/h4-5H,3H2,1-2H3/t5-/m1/s1","InChI=1S/C5H10O/c1-3-4-5-6-2/h4-5H,3H2,1-2H3/b5-4-",83.36206999999999,21.39376,ketoenol
1541,[C:1]([C:2]([C@@:3]([C:4]([H:13])([H:14])[H:15])([C:5](=[O:6])[H:16])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C-:5]#[O+:6].[C:1]([C:2]([C:3](=[C:4]([H:14])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9].[H:13][H:16],"InChI=1S/C5H10O/c1-3-5(2)4-6/h4-5H,3H2,1-2H3/t5-/m1/s1","InChI=1S/C4H8.CO.H2/c1-3-4-2;1-2;/h3H,1,4H2,2H3;;1H",61.43965,29.925240000000002,
1542,[C:1]([C:2]([C@@:3]([C:4]([H:13])([H:14])[H:15])([C:5](=[O:6])[H:16])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](/[C:2](=[C:3](\[C:4]([H:13])([H:14])[H:15])[H:12])[H:11])([H:7])([H:8])[H:9].[C:5](=[O:6])([H:10])[H:16],"InChI=1S/C5H10O/c1-3-5(2)4-6/h4-5H,3H2,1-2H3/t5-/m1/s1","InChI=1S/C4H8.CH2O/c1-3-4-2;1-2/h3-4H,1-2H3;1H2/b4-3-;",63.36846,27.41453,
1543,[C:1]([C:2]([C@@:3]([C:4]([H:13])([H:14])[H:15])([C:5](=[O:6])[H:16])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C@@:3]([C:4]([H:13])([H:14])[H:15])([C:5][O:6][H:16])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-3-5(2)4-6/h4-5H,3H2,1-2H3/t5-/m1/s1","InChI=1S/C5H10O/c1-3-5(2)4-6/h5-6H,3H2,1-2H3/t5-/m1/s1",81.23521,57.29184,
1544,[C:1]([C:2]([C@@:3]([C:4]([H:13])([H:14])[H:15])([C:5](=[O:6])[H:16])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C@:3]1([C:4]([H:13])([H:14])[H:15])[C:5]([H:12])([H:16])[O:6]1)([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-3-5(2)4-6/h4-5H,3H2,1-2H3/t5-/m1/s1","InChI=1S/C5H10O/c1-3-5(2)4-6-5/h3-4H2,1-2H3/t5-/m1/s1",66.69662,19.5061,
1545,[C:1]([C:2]([C@@:3]([C:4]([H:13])([H:14])[H:15])([C:5](=[O:6])[H:16])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:5]([C:3]([C:4]([H:13])([H:14])[H:15])([H:12])[H:16])=[O:6])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-3-5(2)4-6/h4-5H,3H2,1-2H3/t5-/m1/s1","InChI=1S/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H3",65.04309,-6.76235,
1546,[C:1]([C:2]([C@@:3]([C:4]([H:13])([H:14])[H:15])([C:5](=[O:6])[H:16])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](/[C:3]([C:4]([H:13])([H:14])[H:15])=[C:5](\[O:6][H:12])[H:16])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-3-5(2)4-6/h4-5H,3H2,1-2H3/t5-/m1/s1","InChI=1S/C5H10O/c1-3-5(2)4-6/h4,6H,3H2,1-2H3/b5-4-",66.99325,6.19629,ketoenol
1547,[C:1]([C:2]([C@@:3]([C:4]([H:13])([H:14])[H:15])([C:5](=[O:6])[H:16])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C@:3]([C:4]([H:13])([H:14])[H:15])([H:12])[C@:5]1([O:6][H:7])[H:16],"InChI=1S/C5H10O/c1-3-5(2)4-6/h4-5H,3H2,1-2H3/t5-/m1/s1","InChI=1S/C5H10O/c1-4-2-3-5(4)6/h4-6H,2-3H2,1H3/t4-,5+/m1/s1",85.79868,16.31391,
1548,[C:1]([C:2]([C@@:3]([C:4]([H:13])([H:14])[H:15])([C:5](=[O:6])[H:16])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C-:5]#[O+:6].[C:1]([H:7])([H:8])([H:9])[H:16].[C:2](=[C:3]([C:4]([H:13])([H:14])[H:15])[H:12])([H:10])[H:11],"InChI=1S/C5H10O/c1-3-5(2)4-6/h4-5H,3H2,1-2H3/t5-/m1/s1","InChI=1S/C3H6.CO.CH4/c1-3-2;1-2;/h3H,1H2,2H3;;1H4",74.23948,15.75125,
1549,[C:1]([C:2]([C@@:3]([C:4]([H:13])([H:14])[H:15])([C:5](=[O:6])[H:16])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C+:3]=[C:5]([O-:6])[H:16])([H:10])[H:11])([H:7])([H:8])[H:9].[C:4]([H:12])([H:13])([H:14])[H:15],"InChI=1S/C5H10O/c1-3-5(2)4-6/h4-5H,3H2,1-2H3/t5-/m1/s1","InChI=1S/C4H6O.CH4/c1-2-3-4-5;/h4H,2H2,1H3;1H4",75.89921,79.87423000000001,
1550,[N:1]([c:2]1[n:3][o:4][c:5]([H:9])[c:6]1[H:10])([H:7])[H:8],[N:1]([C:2](=[N-:3])[C:6](=[C+:5][O:4][H:9])[H:10])([H:7])[H:8],"InChI=1S/C3H4N2O/c4-3-1-2-6-5-3/h1-2H,(H2,4,5)","InChI=1S/C3H4N2O/c4-3(5)1-2-6/h1H,(H3-,4,5,6)",83.08953000000001,61.17442,
1551,[N:1]([c:2]1[n:3][o:4][c:5]([H:9])[c:6]1[H:10])([H:7])[H:8],[N:1](=[c:2]1/[n:3]([H:7])[o:4][c:5]([H:9])[c:6]1[H:10])\[H:8],"InChI=1S/C3H4N2O/c4-3-1-2-6-5-3/h1-2H,(H2,4,5)","InChI=1S/C3H4N2O/c4-3-1-2-6-5-3/h1-2H,(H2,4,5)",55.70183000000001,18.14937,
1552,[N:1]([c:2]1[n:3][o:4][c:5]([H:9])[c:6]1[H:10])([H:7])[H:8],[N:1]([C:2]([N:3]=[O:4])=[C:6]=[C:5]([H:9])[H:10])([H:7])[H:8],"InChI=1S/C3H4N2O/c4-3-1-2-6-5-3/h1-2H,(H2,4,5)","InChI=1S/C3H4N2O/c1-2-3(4)5-6/h1,4H2",71.83205,57.97495,
1553,[N:1]([c:2]1[n:3][o:4][c:5]([H:9])[c:6]1[H:10])([H:7])[H:8],[C:5](#[C:6][H:10])[H:9].[N:1]([C:2]#[N+:3][O-:4])([H:7])[H:8],"InChI=1S/C3H4N2O/c4-3-1-2-6-5-3/h1-2H,(H2,4,5)",InChI=1S/C2H2.CH2N2O/c1-2;2-1-3-4/h1-2H;2H2,81.57689,83.64279,
1554,[N:1]([c:2]1[n:3][o:4][c:5]([H:9])[c:6]1[H:10])([H:7])[H:8],[N:1]([C:2]1=[C:6]([H:10])[C@@:5]2([H:9])[N:3]1[O:4]2)([H:7])[H:8],"InChI=1S/C3H4N2O/c4-3-1-2-6-5-3/h1-2H,(H2,4,5)","InChI=1S/C3H4N2O/c4-2-1-3-5(2)6-3/h1,3H,4H2/t3-,5?/m0/s1",86.57714,68.62664000000001,
1555,[N:1]([c:2]1[n:3][o:4][c:5]([H:9])[c:6]1[H:10])([H:7])[H:8],[N+:1]([C:2]1=[C:6]=[C:5]([H:9])[O:4][N-:3]1)([H:7])([H:8])[H:10],"InChI=1S/C3H4N2O/c4-3-1-2-6-5-3/h1-2H,(H2,4,5)","InChI=1S/C3H3N2O/c4-3-1-2-6-5-3/h2H,4H2/q-1/p+1",79.42198,72.86764000000001,
1556,[N:1]([c:2]1[n:3][o:4][c:5]([H:9])[c:6]1[H:10])([H:7])[H:8],[N:1](=[C:2]1[N-:3][O+:4]=[C:5]([H:9])[C:6]1([H:7])[H:10])[H:8],"InChI=1S/C3H4N2O/c4-3-1-2-6-5-3/h1-2H,(H2,4,5)","InChI=1S/C3H4N2O/c4-3-1-2-6-5-3/h2,4H,1H2",84.55779,43.98793,
1557,[N:1]([c:2]1[n:3][o:4][c:5]([H:9])[c:6]1[H:10])([H:7])[H:8],[N:1]([C:2]1=[N:3][C@:6]1([C:5](=[O:4])[H:9])[H:10])([H:7])[H:8],"InChI=1S/C3H4N2O/c4-3-1-2-6-5-3/h1-2H,(H2,4,5)","InChI=1S/C3H4N2O/c4-3-2(1-6)5-3/h1-2H,(H2,4,5)/t2-/m0/s1",46.179809999999996,9.38335,ketoenol
1558,[N:1]([c:2]1[n:3][o:4][c:5]([H:9])[c:6]1[H:10])([H:7])[H:8],[N:1]([C:2]1=[C+:6][C:5]([H:9])([H:10])[O:4][N-:3]1)([H:7])[H:8],"InChI=1S/C3H4N2O/c4-3-1-2-6-5-3/h1-2H,(H2,4,5)","InChI=1S/C3H4N2O/c4-3-1-2-6-5-3/h2,4H2",71.87618,70.19278,Singlet_Carbene_Intra_Disproportionation
1559,[N:1]([c:2]1[n:3][o:4][c:5]([H:9])[c:6]1[H:10])([H:7])[H:8],[N+:1]1([H:7])([H:8])[C:2](=[C:6]([C:5](=[O:4])[H:9])[H:10])[N-:3]1,"InChI=1S/C3H4N2O/c4-3-1-2-6-5-3/h1-2H,(H2,4,5)","InChI=1S/C3H4N2O/c6-2-1-3-4-5-3/h1-2H,4H2",46.05502,45.45917,
1560,[n:1]1([H:6])[c:2]([H:7])[n:3][n:4][c:5]1[H:8],[N:1](=[C:2](/[N:3]1[N:4]=[C:5]1[H:8])[H:7])\[H:6],"InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)",InChI=1S/C2H3N3/c3-1-5-2-4-5/h1-3H/b3-1+,91.1438,66.21658000000001,
1561,[n:1]1([H:6])[c:2]([H:7])[n:3][n:4][c:5]1[H:8],[n+:1]1([H:6])[c-:2][n:3]([H:7])[n:4][c:5]1[H:8],"InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)","InChI=1S/C2H3N3/c1-3-2-5-4-1/h1,3H,(H,4,5)",64.67026,22.73753,
1562,[n:1]1([H:6])[c:2]([H:7])[n:3][n:4][c:5]1[H:8],[N:1](=[C:5](/[C-:2]([N+:3]#[N:4])[H:7])[H:8])\[H:6],"InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)",InChI=1S/C2H3N3/c3-1-2-5-4/h1-3H/b3-1+,108.37238,22.32268,
1563,[n:1]1([H:6])[c:2]([H:7])[n:3][n:4][c:5]1[H:8],[C:2](#[N:3])[H:7].[N:1](=[C:5]=[N:4][H:8])[H:6],"InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)",InChI=1S/CH2N2.CHN/c2-1-3;1-2/h2-3H;1H,79.67379,9.75039,
1564,[n:1]1([H:6])[c:2]([H:7])[n:3][n:4][c:5]1[H:8],[N:1]1=[C:2]([H:7])[N:3]=[N:4][C:5]1([H:6])[H:8],"InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)","InChI=1S/C2H3N3/c1-3-2-5-4-1/h1H,2H2",49.39536,24.90393,
1565,[n:1]1([H:6])[c:2]([H:7])[n:3][n:4][c:5]1[H:8],[N:1](=[C:5](/[N-:4][N+:3]#[C:2][H:7])[H:8])\[H:6],"InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)",InChI=1S/C2H3N3/c1-4-5-2-3/h1-3H/b3-2+,53.979240000000004,48.0389,
1566,[n:1]1([H:6])[c:2]([H:7])[n:3][n:4][c:5]1[H:8],[N+:1](=[C-:2][H:7])([C-:5]([N+:4]#[N:3])[H:8])[H:6],"InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)","InChI=1S/C2H3N3/c1-4-2-5-3/h1-2,4H",78.74643,81.8934,
1567,[C:1]([C:2]([C:3]([C:4]([H:13])([H:14])[H:15])([C:5]([C:6]([H:18])([H:19])[H:20])([H:16])[H:17])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]([H:10])[H:11])([H:7])[H:8].[C:3](=[C:4]([H:13])[H:14])([C:5]([C:6]([H:18])([H:19])[H:20])([H:16])[H:17])[H:12].[H:9][H:15],"InChI=1S/C6H14/c1-4-6(3)5-2/h6H,4-5H2,1-3H3","InChI=1S/C4H8.C2H4.H2/c1-3-4-2;1-2;/h3H,1,4H2,2H3;1-2H2;1H",77.60686,53.41478000000001,
1568,[C:1]([C:2]([C:3]([C:4]([H:13])([H:14])[H:15])([C:5]([C:6]([H:18])([H:19])[H:20])([H:16])[H:17])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](/[C:2](=[C:3](\[C:4]([H:13])([H:14])[H:15])[C:5]([C:6]([H:18])([H:19])[H:20])([H:16])[H:17])[H:10])([H:7])([H:8])[H:9].[H:11][H:12],"InChI=1S/C6H14/c1-4-6(3)5-2/h6H,4-5H2,1-3H3","InChI=1S/C6H12.H2/c1-4-6(3)5-2;/h4H,5H2,1-3H3;1H/b6-4+;",103.6418,25.785220000000002,
1569,[C:1]([C:2]([C:3]([C:4]([H:13])([H:14])[H:15])([C:5]([C:6]([H:18])([H:19])[H:20])([H:16])[H:17])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:3]([C:2]([C:5]([C:6]([H:18])([H:19])[H:20])([H:16])[H:17])([H:10])[H:11])([C:4]([H:13])([H:14])[H:15])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C6H14/c1-4-6(3)5-2/h6H,4-5H2,1-3H3","InChI=1S/C6H14/c1-4-5-6(2)3/h6H,4-5H2,1-3H3",114.83502,-0.32699,
1570,[C:1]([C:2]([C:3]([C:4]([H:13])([H:14])[H:15])([C:5]([C:6]([H:18])([H:19])[H:20])([H:16])[H:17])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](/[C:2](=[C:3](/[C:4]([H:13])([H:14])[H:15])[H:12])[H:10])([H:7])([H:8])[H:9].[C:5](=[C:6]([H:18])[H:19])([H:16])[H:17].[H:11][H:20],"InChI=1S/C6H14/c1-4-6(3)5-2/h6H,4-5H2,1-3H3","InChI=1S/C4H8.C2H4.H2/c1-3-4-2;1-2;/h3-4H,1-2H3;1-2H2;1H/b4-3+;;",75.63923,50.022859999999994,
1571,[C:1]([C:2]([C:3]([C:4]([H:13])([H:14])[H:15])([C:5]([C:6]([H:18])([H:19])[H:20])([H:16])[H:17])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3][C:5]([C:6]([H:18])([H:19])[H:20])([H:16])[H:17])([H:10])[H:11])([H:7])([H:8])[H:9].[C:4]([H:12])([H:13])([H:14])[H:15],"InChI=1S/C6H14/c1-4-6(3)5-2/h6H,4-5H2,1-3H3","InChI=1S/C5H10.CH4/c1-3-5-4-2;/h3-4H2,1-2H3;1H4",82.97551,90.7675,
1572,[C:1]([C:2]([C:3]([O:4][C:5]([C:6]([H:16])([H:17])[H:18])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([O+:4]=[C-:5][H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9].[C:6]([H:15])([H:16])([H:17])[H:18],"InChI=1S/C5H12O/c1-3-5-6-4-2/h3-5H2,1-2H3","InChI=1S/C4H8O.CH4/c1-3-4-5-2;/h2H,3-4H2,1H3;1H4",72.87196,64.00301,
1573,[C:1]([C:2]([C:3]([O:4][C:5]([C:6]([H:16])([H:17])[H:18])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3](=[O+:4][C-:5]([C:6]([H:16])([H:17])[H:18])[H:14])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9].[H:13][H:15],"InChI=1S/C5H12O/c1-3-5-6-4-2/h3-5H2,1-2H3","InChI=1S/C5H10O.H2/c1-3-5-6-4-2;/h4-5H,3H2,1-2H3;1H",65.48346,67.74696,
1574,[C:1]([C:2]([C:3]([O:4][C:5]([C:6]([H:16])([H:17])[H:18])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([O:4][C:5](=[C:6]([H:16])[H:18])[H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9].[H:15][H:17],"InChI=1S/C5H12O/c1-3-5-6-4-2/h3-5H2,1-2H3","InChI=1S/C5H10O.H2/c1-3-5-6-4-2;/h4H,2-3,5H2,1H3;1H",100.6356,27.59188,
1575,[C:1]([C:2]([C:3]([O:4][C:5]([C:6]([H:16])([H:17])[H:18])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C-:3](=[O+:4][C:5]([C:6]([H:16])([H:17])[H:18])([H:14])[H:15])[H:12].[C:1]([C:2]([H:10])([H:11])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C5H12O/c1-3-5-6-4-2/h3-5H2,1-2H3","InChI=1S/C3H6O.C2H6/c1-3-4-2;1-2/h2H,3H2,1H3;1-2H3",72.01505,66.22085,
1576,[C:1]([C:2]([C:3]([O:4][C:5]([C:6]([H:16])([H:17])[H:18])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3](=[O:4])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9].[C:5](=[C:6]([H:16])[H:18])([H:14])[H:15].[H:13][H:17],"InChI=1S/C5H12O/c1-3-5-6-4-2/h3-5H2,1-2H3","InChI=1S/C3H6O.C2H4.H2/c1-2-3-4;1-2;/h3H,2H2,1H3;1-2H2;1H",57.847480000000004,33.3414,
1577,[C:1]([C:2]([C:3]([O:4][C:5]([C:6]([H:16])([H:17])[H:18])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([O:4][H:17])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9].[C:5](=[C:6]([H:16])[H:18])([H:14])[H:15],"InChI=1S/C5H12O/c1-3-5-6-4-2/h3-5H2,1-2H3","InChI=1S/C3H8O.C2H4/c1-2-3-4;1-2/h4H,2-3H2,1H3;1-2H2",59.364219999999996,16.18073,"1,3_Insertion_ROR"
1578,[C:1]([C:2]([C:3]([O:4][C:5]([C:6]([H:16])([H:17])[H:18])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]([H:12])[H:13])[H:10])([H:7])([H:8])[H:9].[O:4]([C:5]([C:6]([H:16])([H:17])[H:18])([H:14])[H:15])[H:11],"InChI=1S/C5H12O/c1-3-5-6-4-2/h3-5H2,1-2H3","InChI=1S/C3H6.C2H6O/c1-3-2;1-2-3/h3H,1H2,2H3;3H,2H2,1H3",59.85253,11.92987,"1,3_Insertion_ROR"
1579,[C:1]([C:2]([C:3]([O:4][C:5]([C:6]([H:16])([H:17])[H:18])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3](=[O+:4][C-:5]([H:14])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9].[C:6]([H:13])([H:16])([H:17])[H:18],"InChI=1S/C5H12O/c1-3-5-6-4-2/h3-5H2,1-2H3","InChI=1S/C4H8O.CH4/c1-3-4-5-2;/h4H,2-3H2,1H3;1H4",77.67708,61.167640000000006,
1580,[C:1]([C:2]([C:3]([O:4][C:5]([C:6]([H:16])([H:17])[H:18])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([H:10])[H:11])([H:7])([H:8])[H:9].[C:3]([O:4][C:5]([C:6]([H:16])([H:17])[H:18])[H:14])([H:12])([H:13])[H:15],"InChI=1S/C5H12O/c1-3-5-6-4-2/h3-5H2,1-2H3","InChI=1S/C3H7O.C2H5/c1-3-4-2;1-2/h3H,1-2H3;1H2,2H3",112.31241999999999,85.20817,
1581,[C:1]([C:2]([C:3]([O:4][C:5]([C:6]([H:16])([H:17])[H:18])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]([H:12])[H:13])[H:10])([H:7])([H:8])[H:9].[H:11][H:15].[O:4]=[C:5]([C:6]([H:16])([H:17])[H:18])[H:14],"InChI=1S/C5H12O/c1-3-5-6-4-2/h3-5H2,1-2H3","InChI=1S/C3H6.C2H4O.H2/c1-3-2;1-2-3;/h3H,1H2,2H3;2H,1H3;1H",58.12562,29.383770000000002,
1582,[C:1]([C:2]([C:3]([O:4][C:5]([C:6]([H:16])([H:17])[H:18])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([O:4][C:5]([H:13])([H:14])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9].[C:6]([H:16])([H:17])[H:18],"InChI=1S/C5H12O/c1-3-5-6-4-2/h3-5H2,1-2H3","InChI=1S/C4H9O.CH3/c1-3-4-5-2;/h4H,3H2,1-2H3;1H3",114.32972,88.33885,
1583,[O:1]=[C:2]([C:3]#[C:4][H:7])[C:5]#[C:6][H:8],[O:1]=[C:2]=[C:3]=[C:4]([C:5]#[C:6][H:8])[H:7],InChI=1S/C5H2O/c1-3-5(6)4-2/h1-2H,"InChI=1S/C5H2O/c1-2-3-4-5-6/h1,3H",68.87553,-12.57857,
1584,[O:1]=[C:2]([C:3]#[C:4][H:7])[C:5]#[C:6][H:8],[O:1]=[C:2]([C:3](=[C:4])[H:7])[C:5]#[C:6][H:8],InChI=1S/C5H2O/c1-3-5(6)4-2/h1-2H,"InChI=1S/C5H2O/c1-3-5(6)4-2/h1,4H",43.1234,47.19574,Singlet_Carbene_Intra_Disproportionation
1585,[O:1]=[C:2]([C:3]#[C:4][H:7])[C:5]#[C:6][H:8],[O:1]=[C:6]([C:5]#[C:2][C:3]#[C:4][H:7])[H:8],InChI=1S/C5H2O/c1-3-5(6)4-2/h1-2H,"InChI=1S/C5H2O/c1-2-3-4-5-6/h1,5H",70.15007,-8.90523,
1586,[O:1]=[C:2]([C:3]#[C:4][H:7])[C:5]#[C:6][H:8],[O:1]=[c:2]1[c:5]([C:4](=[C:3])[H:7])[c:6]1[H:8],InChI=1S/C5H2O/c1-3-5(6)4-2/h1-2H,InChI=1S/C5H2O/c1-2-4-3-5(4)6/h2-3H,76.3702,49.2071,
1587,[O:1]=[C:2]([C:3]#[C:4][H:7])[C:5]#[C:6][H:8],[O+:1](=[C-:2][C:5]#[C:6][H:8])[C:3]#[C:4][H:7],InChI=1S/C5H2O/c1-3-5(6)4-2/h1-2H,InChI=1S/C5H2O/c1-3-5-6-4-2/h1-2H,88.64401,71.91741,
1588,[n:1]1([H:6])[c:2]([H:7])[c:3]([H:8])[c:4]([H:9])[c:5]1[H:10],[N:1](=[C:2](/[C:3](=[C:4]=[C:5]([H:9])[H:10])[H:8])[H:7])\[H:6],InChI=1S/C4H5N/c1-2-4-5-3-1/h1-5H,"InChI=1S/C4H5N/c1-2-3-4-5/h3-5H,1H2/b5-4+",71.98001,39.130179999999996,
1589,[n:1]1([H:6])[c:2]([H:7])[c:3]([H:8])[c:4]([H:9])[c:5]1[H:10],[N:1]1([H:6])[C:2]([H:7])([H:8])[C-:3]=[C:4]([H:9])[C+:5]1[H:10],InChI=1S/C4H5N/c1-2-4-5-3-1/h1-5H,"InChI=1S/C4H5N/c1-2-4-5-3-1/h1,3,5H,4H2",71.92596999999999,68.13969,Singlet_Carbene_Intra_Disproportionation
1590,[n:1]1([H:6])[c:2]([H:7])[c:3]([H:8])[c:4]([H:9])[c:5]1[H:10],[N+:1]1([H:6])([H:7])[C-:2]=[C:3]([H:8])[C:4]([H:9])=[C:5]1[H:10],InChI=1S/C4H5N/c1-2-4-5-3-1/h1-5H,"InChI=1S/C4H5N/c1-2-4-5-3-1/h1-3H,5H2",85.37471,78.12508000000001,
1591,[n:1]1([H:6])[c:2]([H:7])[c:3]([H:8])[c:4]([H:9])[c:5]1[H:10],[N:1]1([H:6])[C:2][C:3]([H:7])([H:8])[C:4]([H:9])=[C:5]1[H:10],InChI=1S/C4H5N/c1-2-4-5-3-1/h1-5H,"InChI=1S/C4H5N/c1-2-4-5-3-1/h1,3,5H,2H2",62.222609999999996,56.35349,Singlet_Carbene_Intra_Disproportionation
1592,[n:1]1([H:6])[c:2]([H:7])[c:3]([H:8])[c:4]([H:9])[c:5]1[H:10],[N:1]1([H:6])[C:2]([H:7])=[C-:3][C:4]([H:8])([H:9])[C+:5]1[H:10],InChI=1S/C4H5N/c1-2-4-5-3-1/h1-5H,"InChI=1S/C4H5N/c1-2-4-5-3-1/h3-5H,1H2",79.31694,79.22721999999999,
1593,[n:1]1([H:6])[c:2]([H:7])[c:3]([H:8])[c:4]([H:9])[c:5]1[H:10],[N:1]1=[C:5]([H:10])[C:4]([H:9])=[C:3]([H:8])[C:2]1([H:6])[H:7],InChI=1S/C4H5N/c1-2-4-5-3-1/h1-5H,"InChI=1S/C4H5N/c1-2-4-5-3-1/h1-3H,4H2",43.2093,14.59061,
1594,[n:1]1([H:6])[c:2]([H:7])[c:3]([H:8])[c:4]([H:9])[c:5]1[H:10],[N:1](=[C:5](/[C:4]1([H:9])[C:2]([H:7])=[C:3]1[H:8])[H:10])\[H:6],InChI=1S/C4H5N/c1-2-4-5-3-1/h1-5H,InChI=1S/C4H5N/c5-3-4-1-2-4/h1-5H/b5-3+,92.16733,62.176190000000005,
1595,[n:1]1([H:6])[c:2]([H:7])[c:3]([H:8])[c:4]([H:9])[c:5]1[H:10],[N:1]1=[C:2]([H:7])[C:3]([H:6])([H:8])[C:4]([H:9])=[C:5]1[H:10],InChI=1S/C4H5N/c1-2-4-5-3-1/h1-5H,"InChI=1S/C4H5N/c1-2-4-5-3-1/h1,3-4H,2H2",43.23125,16.66362,
1596,[n:1]1([H:6])[c:2]([H:7])[c:3]([H:8])[c:4]([H:9])[c:5]1[H:10],[N:1]([C:2](=[C:3])[H:7])([C:5](=[C:4]([H:8])[H:9])[H:10])[H:6],InChI=1S/C4H5N/c1-2-4-5-3-1/h1-5H,"InChI=1S/C4H5N/c1-3-5-4-2/h3-5H,1H2",95.28633,102.53473000000001,
1597,[C:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5]([H:12])[n:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]1=[N:6][C:5]([H:11])([H:12])[N:4]=[C:3]1[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H6N2/c1-4-2-5-3-6-4/h2-3H,1H3,(H,5,6)","InChI=1S/C4H6N2/c1-4-2-5-3-6-4/h2H,3H2,1H3",43.77303,13.904229999999998,
1598,[C:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5]([H:12])[n:6]1)([H:7])([H:8])[H:9],[C:1]([C@:2]1(/[C:3](=[N:4]/[H:11])[H:10])[C:5]([H:12])=[N:6]1)([H:7])([H:8])[H:9],"InChI=1S/C4H6N2/c1-4-2-5-3-6-4/h2-3H,1H3,(H,5,6)","InChI=1S/C4H6N2/c1-4(2-5)3-6-4/h2-3,5H,1H3/b5-2+/t4-/m0/s1",95.74103000000001,55.387240000000006,
1599,[C:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5]([H:12])[n:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]1=[C-:3][N+:4]([H:10])([H:11])[C:5]([H:12])=[N:6]1)([H:7])([H:8])[H:9],"InChI=1S/C4H6N2/c1-4-2-5-3-6-4/h2-3H,1H3,(H,5,6)","InChI=1S/C4H6N2/c1-4-2-5-3-6-4/h3H,5H2,1H3",88.87957,82.28863,
1600,[C:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5]([H:12])[n:6]1)([H:7])([H:8])[H:9],[C:1]([n+:6]1[c-:2][c:3]([H:10])[n:4]([H:11])[c:5]1[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H6N2/c1-4-2-5-3-6-4/h2-3H,1H3,(H,5,6)","InChI=1S/C4H6N2/c1-6-3-2-5-4-6/h2,4-5H,1H3",105.71788000000001,55.423359999999995,
1601,[C:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5]([H:12])[n:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]1=[N:6][C:5]([H:12])=[N:4][C:3]1([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H6N2/c1-4-2-5-3-6-4/h2-3H,1H3,(H,5,6)","InChI=1S/C4H6N2/c1-4-2-5-3-6-4/h3H,2H2,1H3",45.38304,14.21096,
1602,[C:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5]([H:12])[n:6]1)([H:7])([H:8])[H:9],[C:1]([C@:2]1([H:10])[C-:3]=[N+:4]([H:11])[C:5]([H:12])=[N:6]1)([H:7])([H:8])[H:9],"InChI=1S/C4H6N2/c1-4-2-5-3-6-4/h2-3H,1H3,(H,5,6)","InChI=1S/C4H6N2/c1-4-2-5-3-6-4/h3-5H,1H3/t4-/m1/s1",61.831669999999995,54.15916,Singlet_Carbene_Intra_Disproportionation
1603,[C:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5]([H:12])[n:6]1)([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3])/[N:6]=[C:5](\[N:4]([H:10])[H:11])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H6N2/c1-4-2-5-3-6-4/h2-3H,1H3,(H,5,6)","InChI=1S/C4H6N2/c1-4(2)6-3-5/h3H,1H3,(H2,5,6)",91.20548000000001,90.26694,
1604,[C:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5]([H:12])[n:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]1=[C:3]([H:10])[N:4]([H:11])[C:5][N:6]1[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H6N2/c1-4-2-5-3-6-4/h2-3H,1H3,(H,5,6)","InChI=1S/C4H6N2/c1-4-2-5-3-6-4/h2,5-6H,1H3",67.69211,33.0866,
1605,[C:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5]([H:12])[n:6]1)([H:7])([H:8])[H:9],[C:1](=[C:2]1[C-:3]([H:10])[N:4]([H:11])[C+:5]([H:12])[N:6]1[H:7])([H:8])[H:9],"InChI=1S/C4H6N2/c1-4-2-5-3-6-4/h2-3H,1H3,(H,5,6)","InChI=1S/C4H6N2/c1-4-2-5-3-6-4/h2-3,5-6H,1H2",76.04933,52.492869999999996,
1606,[C:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5]([H:12])[n:6]1)([H:7])([H:8])[H:9],[C:1]([C:3](=[C:2]=[N:6][C:5](=[N:4][H:11])[H:12])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H6N2/c1-4-2-5-3-6-4/h2-3H,1H3,(H,5,6)","InChI=1S/C4H6N2/c1-2-3-6-4-5/h2,4-5H,1H3",96.18894,38.045429999999996,
1607,[C:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5]([H:12])[n:6]1)([H:7])([H:8])[H:9],[C:1](=[C:2]1[C:3]([H:7])([H:10])[N:4]([H:11])[C:5]([H:12])=[N:6]1)([H:8])[H:9],"InChI=1S/C4H6N2/c1-4-2-5-3-6-4/h2-3H,1H3,(H,5,6)","InChI=1S/C4H6N2/c1-4-2-5-3-6-4/h3H,1-2H2,(H,5,6)",87.60571999999999,19.28054,
1608,[C:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5]([H:12])[n:6]1)([H:7])([H:8])[H:9],[C:1]([C:2](/[C:3](=[N:4]/[H:11])[H:10])=[N+:6]=[C-:5][H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H6N2/c1-4-2-5-3-6-4/h2-3H,1H3,(H,5,6)","InChI=1S/C4H6N2/c1-4(3-5)6-2/h2-3,5H,1H3/b5-3+",55.050509999999996,55.88162,
1609,[C:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5]([H:12])[n:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]1=[C+:3][N:4]([H:11])[C:5]([H:10])([H:12])[N-:6]1)([H:7])([H:8])[H:9],"InChI=1S/C4H6N2/c1-4-2-5-3-6-4/h2-3H,1H3,(H,5,6)","InChI=1S/C4H6N2/c1-4-2-5-3-6-4/h5H,3H2,1H3",123.51879,52.914019999999994,
1610,[C:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5]([H:12])[n:6]1)([H:7])([H:8])[H:9],[C:1]1([H:8])([H:9])[C:2](=[N:6]/[C:5](=[N:4]/[H:11])[H:12])[C:3]1([H:7])[H:10],"InChI=1S/C4H6N2/c1-4-2-5-3-6-4/h2-3H,1H3,(H,5,6)","InChI=1S/C4H6N2/c5-3-6-4-1-2-4/h3,5H,1-2H2/b5-3+",102.78442,50.32385,
1611,[C:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5]([H:12])[n:6]1)([H:7])([H:8])[H:9],[C:1](=[C:2](/[C:3](=[N:4]/[H:11])[H:10])[N:6]=[C:5]([H:7])[H:12])([H:8])[H:9],"InChI=1S/C4H6N2/c1-4-2-5-3-6-4/h2-3H,1H3,(H,5,6)","InChI=1S/C4H6N2/c1-4(3-5)6-2/h3,5H,1-2H2/b5-3+",110.24981000000001,37.03309,
1612,[C:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5]([H:12])[n:6]1)([H:7])([H:8])[H:9],[C:1]([N+:6]#[C:2][C-:3]([N+:4](=[C-:5][H:12])[H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H6N2/c1-4-2-5-3-6-4/h2-3H,1H3,(H,5,6)","InChI=1S/C4H6N2/c1-5-3-4-6-2/h1,3,5H,2H3",143.43171,96.99334,
1613,[C:1]([C:2]([C@@:3]([O:4][H:13])([C:5]([O:6][H:16])([H:14])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([C:5](=[O:6])[H:15])([H:12])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9].[O:4]([H:13])[H:16],"InChI=1S/C4H10O2/c1-2-4(6)3-5/h4-6H,2-3H2,1H3/t4-/m1/s1","InChI=1S/C4H8O.H2O/c1-2-3-4-5;/h4H,2-3H2,1H3;1H2",52.82957,2.3818799999999998,
1614,[C:1]([C:2]([C@@:3]([O:4][H:13])([C:5]([O:6][H:16])([H:14])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([O:4][H:13])=[C:5]([H:14])[H:15])([H:10])[H:11])([H:7])([H:8])[H:9].[O:6]([H:12])[H:16],"InChI=1S/C4H10O2/c1-2-4(6)3-5/h4-6H,2-3H2,1H3/t4-/m1/s1","InChI=1S/C4H8O.H2O/c1-3-4(2)5;/h5H,2-3H2,1H3;1H2",64.87046,4.03038,"1,3_Insertion_ROR"
1615,[C:1]([C:2]([C@@:3]([O:4][H:13])([C:5]([O:6][H:16])([H:14])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3](=[O:4])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9].[C:5](=[O:6])([H:14])[H:15].[H:13][H:16],"InChI=1S/C4H10O2/c1-2-4(6)3-5/h4-6H,2-3H2,1H3/t4-/m1/s1","InChI=1S/C3H6O.CH2O.H2/c1-2-3-4;1-2;/h3H,2H2,1H3;1H2;1H",64.11716,37.96014,
1616,[C:1]([C:2]([C@@:3]([O:4][H:13])([C:5]([O:6][H:16])([H:14])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([H:10])([H:11])[H:12])([H:7])([H:8])[H:9].[C:3]([O:4][H:13])[C:5]([O:6][H:16])([H:14])[H:15],"InChI=1S/C4H10O2/c1-2-4(6)3-5/h4-6H,2-3H2,1H3/t4-/m1/s1","InChI=1S/C2H4O2.C2H6/c3-1-2-4;1-2/h3-4H,1H2;1-2H3",67.93779,61.4874,
1617,[C:1]([C:2]([C@@:3]([O:4][H:13])([C:5]([O:6][H:16])([H:14])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]([H:10])[H:11])([H:7])[H:9].[C:3]([O:4][H:8])([C:5]([O:6][H:16])([H:14])[H:15])([H:12])[H:13],"InChI=1S/C4H10O2/c1-2-4(6)3-5/h4-6H,2-3H2,1H3/t4-/m1/s1","InChI=1S/C2H6O2.C2H4/c3-1-2-4;1-2/h3-4H,1-2H2;1-2H2",97.5705,30.186890000000002,
1618,[C:1]([C:2]([C@@:3]([O:4][H:13])([C:5]([O:6][H:16])([H:14])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3](=[O:4])[C:5]([O:6][H:13])([H:14])[H:15])([H:10])[H:11])([H:7])([H:8])[H:9].[H:12][H:16],"InChI=1S/C4H10O2/c1-2-4(6)3-5/h4-6H,2-3H2,1H3/t4-/m1/s1","InChI=1S/C4H8O2.H2/c1-2-4(6)3-5;/h5H,2-3H2,1H3;1H",50.580659999999995,12.34556,
1619,[C:1]([C:2]([C@@:3]([O:4][H:13])([C:5]([O:6][H:16])([H:14])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](/[C:2](=[C:3](\[O:4][H:13])[H:12])[H:11])([H:7])([H:8])[H:9].[C:5](=[O:6])([H:14])[H:15].[H:10][H:16],"InChI=1S/C4H10O2/c1-2-4(6)3-5/h4-6H,2-3H2,1H3/t4-/m1/s1","InChI=1S/C3H6O.CH2O.H2/c1-2-3-4;1-2;/h2-4H,1H3;1H2;1H/b3-2-;;",64.53624,42.53264,
1620,[C:1]([C:2]([C@@:3]([O:4][H:13])([C:5]([O:6][H:16])([H:14])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([O:4][H:13])([O:6][H:16])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9].[C:5]([H:14])[H:15],"InChI=1S/C4H10O2/c1-2-4(6)3-5/h4-6H,2-3H2,1H3/t4-/m1/s1","InChI=1S/C3H8O2.CH2/c1-2-3(4)5;/h3-5H,2H2,1H3;1H2",104.24075,109.23423000000001,
1621,[C:1]([C:2]([C@@:3]([O:4][H:13])([C:5]([O:6][H:16])([H:14])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:4][H:13])([H:7])([H:8])[H:9].[C:2](=[C:3]([C:5]([O:6][H:16])([H:14])[H:15])[H:12])([H:10])[H:11],"InChI=1S/C4H10O2/c1-2-4(6)3-5/h4-6H,2-3H2,1H3/t4-/m1/s1","InChI=1S/C3H6O.CH4O/c1-2-3-4;1-2/h2,4H,1,3H2;2H,1H3",96.71515,30.61895,"1,3_Insertion_ROR"
1622,[C:1]([C:2]([C@@:3]([O:4][H:13])([C:5]([O:6][H:16])([H:14])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([O:4][H:13])([H:10])[H:11])([H:7])([H:8])[H:9].[C:3]([C:5]([O:6][H:16])([H:14])[H:15])[H:12],"InChI=1S/C4H10O2/c1-2-4(6)3-5/h4-6H,2-3H2,1H3/t4-/m1/s1","InChI=1S/C2H6O.C2H4O/c2*1-2-3/h3H,2H2,1H3;1,3H,2H2",108.87132,26.8101,
1623,[C:1]([C:2]([C@@:3]([O:4][H:13])([C:5]([O:6][H:16])([H:14])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](/[C:2](=[C:3](/[C:5]([O:6][H:16])([H:14])[H:15])[H:12])[H:11])([H:7])([H:8])[H:9].[O:4]([H:10])[H:13],"InChI=1S/C4H10O2/c1-2-4(6)3-5/h4-6H,2-3H2,1H3/t4-/m1/s1","InChI=1S/C4H8O.H2O/c1-2-3-4-5;/h2-3,5H,4H2,1H3;1H2/b3-2+;",62.70994,14.748070000000002,"1,3_Insertion_ROR"
1624,[C:1]([C:2]([C@@:3]([O:4][H:13])([C:5]([O:6][H:16])([H:14])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C@@:3]1([H:12])[O:4][C:5]1([H:14])[H:15])([H:10])[H:11])([H:7])([H:8])[H:9].[O:6]([H:13])[H:16],"InChI=1S/C4H10O2/c1-2-4(6)3-5/h4-6H,2-3H2,1H3/t4-/m1/s1","InChI=1S/C4H8O.H2O/c1-2-4-3-5-4;/h4H,2-3H2,1H3;1H2/t4-;/m1./s1",57.09863000000001,24.45703,
1625,[C:1]([C:2]([C@@:3]([O:4][H:13])([C:5]([O:6][H:16])([H:14])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C@@:3]([O:4][H:13])([C:5](=[O:6])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9].[H:14][H:16],"InChI=1S/C4H10O2/c1-2-4(6)3-5/h4-6H,2-3H2,1H3/t4-/m1/s1","InChI=1S/C4H8O2.H2/c1-2-4(6)3-5;/h3-4,6H,2H2,1H3;1H/t4-;/m1./s1",79.88344000000001,21.02075,
1626,[C:1]([C:2]([C@@:3]([O:4][H:13])([C:5]([O:6][H:16])([H:14])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3][H:12])([H:10])[H:11])([H:7])([H:8])[H:9].[O:4]([C:5]([O:6][H:16])([H:14])[H:15])[H:13],"InChI=1S/C4H10O2/c1-2-4(6)3-5/h4-6H,2-3H2,1H3/t4-/m1/s1","InChI=1S/C3H6.CH4O2/c1-3-2;2-1-3/h1H,3H2,2H3;2-3H,1H2",102.47711,23.11026,
1627,[N:1]([C:2](=[O:3])[C:4]([C:5]([O:6][H:13])([H:11])[H:12])([H:9])[H:10])([H:7])[H:8],[N:1]([C-:2]=[O+:3][C:4]([C:5]([O:6][H:13])([H:11])[H:12])([H:9])[H:10])([H:7])[H:8],"InChI=1S/C3H7NO2/c4-3(6)1-2-5/h5H,1-2H2,(H2,4,6)","InChI=1S/C3H7NO2/c4-3-6-2-1-5/h5H,1-2,4H2",100.57512,55.040040000000005,
1628,[N:1]([C:2](=[O:3])[C:4]([C:5]([O:6][H:13])([H:11])[H:12])([H:9])[H:10])([H:7])[H:8],[N:1]([C:2]([O:3][C:5]([O:6][H:13])([H:11])[H:12])=[C:4]([H:9])[H:10])([H:7])[H:8],"InChI=1S/C3H7NO2/c4-3(6)1-2-5/h5H,1-2H2,(H2,4,6)","InChI=1S/C3H7NO2/c1-3(4)6-2-5/h5H,1-2,4H2",72.14747,26.95942,ketoenol
1629,[N:1]([C:2](=[O:3])[C:4]([C:5]([O:6][H:13])([H:11])[H:12])([H:9])[H:10])([H:7])[H:8],[C:2](=[O:3])=[C:4]([C:5]([O:6][H:13])([H:11])[H:12])[H:10].[N:1]([H:7])([H:8])[H:9],"InChI=1S/C3H7NO2/c4-3(6)1-2-5/h5H,1-2H2,(H2,4,6)","InChI=1S/C3H4O2.H3N/c4-2-1-3-5;/h1,4H,2H2;1H3",70.62176,38.02412,"1,3_NH3_elimination"
1630,[N:1]([C:2](=[O:3])[C:4]([C:5]([O:6][H:13])([H:11])[H:12])([H:9])[H:10])([H:7])[H:8],[C:4](=[C:5]([O:6][H:13])[H:11])([H:9])[H:10].[N:1]([C:2](=[O:3])[H:12])([H:7])[H:8],"InChI=1S/C3H7NO2/c4-3(6)1-2-5/h5H,1-2H2,(H2,4,6)","InChI=1S/C2H4O.CH3NO/c1-2-3;2-1-3/h2-3H,1H2;1H,(H2,2,3)",81.0895,23.34367,
1631,[N:1]([C:2](=[O:3])[C:4]([C:5]([O:6][H:13])([H:11])[H:12])([H:9])[H:10])([H:7])[H:8],[N:1]([C:2](=[O:3])[C:4](=[C:5]([H:11])[H:12])[H:10])([H:7])[H:8].[O:6]([H:9])[H:13],"InChI=1S/C3H7NO2/c4-3(6)1-2-5/h5H,1-2H2,(H2,4,6)","InChI=1S/C3H5NO.H2O/c1-2-3(4)5;/h2H,1H2,(H2,4,5);1H2",56.77333,12.98508,"1,3_Insertion_ROR"
1632,[N:1]([C:2](=[O:3])[C:4]([C:5]([O:6][H:13])([H:11])[H:12])([H:9])[H:10])([H:7])[H:8],[C:4]([C:5]([O:6][H:13])([H:11])[H:12])([H:8])([H:9])[H:10].[N:1](=[C:2]=[O:3])[H:7],"InChI=1S/C3H7NO2/c4-3(6)1-2-5/h5H,1-2H2,(H2,4,6)","InChI=1S/C2H6O.CHNO/c1-2-3;2-1-3/h3H,2H2,1H3;2H",74.77884,12.65243,
1633,[N:1]([C:2](=[O:3])[C:4]([C:5]([O:6][H:13])([H:11])[H:12])([H:9])[H:10])([H:7])[H:8],[N:1]([C@@:2]1([O:3][H:13])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[O:6]1)([H:7])[H:8],"InChI=1S/C3H7NO2/c4-3(6)1-2-5/h5H,1-2H2,(H2,4,6)","InChI=1S/C3H7NO2/c4-3(5)1-2-6-3/h5H,1-2,4H2/t3-/m1/s1",43.61446,27.861629999999998,
1634,[N:1]([C:2](=[O:3])[C:4]([C:5]([O:6][H:13])([H:11])[H:12])([H:9])[H:10])([H:7])[H:8],[H:9][H:12].[N:1]([C:2](=[O:3])/[C:4](=[C:5](\[O:6][H:13])[H:11])[H:10])([H:7])[H:8],"InChI=1S/C3H7NO2/c4-3(6)1-2-5/h5H,1-2H2,(H2,4,6)","InChI=1S/C3H5NO2.H2/c4-3(6)1-2-5;/h1-2,5H,(H2,4,6);1H/b2-1-;",95.23116,22.752979999999997,
1635,[N:1]([C:2](=[O:3])[C:4]([C:5]([O:6][H:13])([H:11])[H:12])([H:9])[H:10])([H:7])[H:8],[C:5]([O:6][H:13])[H:11].[N:1]([C:2](=[O:3])[C:4]([H:9])([H:10])[H:12])([H:7])[H:8],"InChI=1S/C3H7NO2/c4-3(6)1-2-5/h5H,1-2H2,(H2,4,6)","InChI=1S/C2H5NO.CH2O/c1-2(3)4;1-2/h1H3,(H2,3,4);1-2H",70.68585999999999,73.15618,
1636,[N:1]([C:2](=[O:3])[C:4]([C:5]([O:6][H:13])([H:11])[H:12])([H:9])[H:10])([H:7])[H:8],[N:1](=[C:2](/[O:3][H:7])[C:4]([C:5]([O:6][H:13])([H:11])[H:12])([H:9])[H:10])\[H:8],"InChI=1S/C3H7NO2/c4-3(6)1-2-5/h5H,1-2H2,(H2,4,6)","InChI=1S/C3H7NO2/c4-3(6)1-2-5/h5H,1-2H2,(H2,4,6)",41.32967,10.58876,ketoenol
1637,[N:1]([C:2](=[O:3])[C:4]([C:5]([O:6][H:13])([H:11])[H:12])([H:9])[H:10])([H:7])[H:8],[H:8][H:9].[N:1](=[C:2]1\[O:3][C@@:4]1([C:5]([O:6][H:13])([H:11])[H:12])[H:10])\[H:7],"InChI=1S/C3H7NO2/c4-3(6)1-2-5/h5H,1-2H2,(H2,4,6)","InChI=1S/C3H5NO2.H2/c4-3-2(1-5)6-3;/h2,4-5H,1H2;1H/b4-3-;/t2-;/m1./s1",90.08118,67.55235,
1638,[N:1]([C:2](=[O:3])[C:4]([C:5]([O:6][H:13])([H:11])[H:12])([H:9])[H:10])([H:7])[H:8],[C:4](=[C:5]([H:11])[H:12])([H:9])[H:10].[N:1](=[C:2]=[O:3])[H:7].[O:6]([H:8])[H:13],"InChI=1S/C3H7NO2/c4-3(6)1-2-5/h5H,1-2H2,(H2,4,6)",InChI=1S/C2H4.CHNO.H2O/c1-2;2-1-3;/h1-2H2;2H;1H2,60.16179,25.55159,
1639,[N:1]([C:2](=[O:3])[C:4]([C:5]([O:6][H:13])([H:11])[H:12])([H:9])[H:10])([H:7])[H:8],[N:1]([C@:2]1([H:9])[O:3][C@:4]1([C:5]([O:6][H:13])([H:11])[H:12])[H:10])([H:7])[H:8],"InChI=1S/C3H7NO2/c4-3(6)1-2-5/h5H,1-2H2,(H2,4,6)","InChI=1S/C3H7NO2/c4-3-2(1-5)6-3/h2-3,5H,1,4H2/t2-,3+/m0/s1",95.63739,47.137879999999996,
1640,[N:1]([C:2](=[O:3])[C:4]([C:5]([O:6][H:13])([H:11])[H:12])([H:9])[H:10])([H:7])[H:8],[C:4](=[C:5]([H:11])[H:12])([H:9])[H:10].[N:1](=[C:2]=[O:3])[H:8].[O:6]([H:7])[H:13],"InChI=1S/C3H7NO2/c4-3(6)1-2-5/h5H,1-2H2,(H2,4,6)",InChI=1S/C2H4.CHNO.H2O/c1-2;2-1-3;/h1-2H2;2H;1H2,50.66621,25.51766,
1641,[N:1]([C:2](=[O:3])[C:4]([C:5]([O:6][H:13])([H:11])[H:12])([H:9])[H:10])([H:7])[H:8],[N:1]([C@@:2]1([O:3][H:12])[C:4]([H:9])([H:10])[C@@:5]1([O:6][H:13])[H:11])([H:7])[H:8],"InChI=1S/C3H7NO2/c4-3(6)1-2-5/h5H,1-2H2,(H2,4,6)","InChI=1S/C3H7NO2/c4-3(6)1-2(3)5/h2,5-6H,1,4H2/t2-,3+/m0/s1",83.09478,40.43678,
1642,[N:1]([C:2](=[O:3])[C:4]([C:5]([O:6][H:13])([H:11])[H:12])([H:9])[H:10])([H:7])[H:8],[C:5]([O:6][H:13])([H:7])([H:11])[H:12].[N:1](=[C:2]1\[O:3][C:4]1([H:9])[H:10])\[H:8],"InChI=1S/C3H7NO2/c4-3(6)1-2-5/h5H,1-2H2,(H2,4,6)","InChI=1S/C2H3NO.CH4O/c3-2-1-4-2;1-2/h3H,1H2;2H,1H3/b3-2-;",95.75546,62.17633000000001,
1643,[C:1]1([H:7])([H:8])[O:2][C:3]([H:9])([H:10])[C@@:4]2([H:11])[N:5]([H:12])[C@@:6]12[H:13],[C:1]1([H:7])([H:8])[O:2][C:3]([H:9])([H:10])[N+:5]2([H:12])[C-:4]([H:11])[C@:6]12[H:13],"InChI=1S/C4H7NO/c1-3-4(5-3)2-6-1/h3-5H,1-2H2/t3-,4+","InChI=1S/C4H7NO/c1-4-2-6-3-5(1)4/h1,4-5H,2-3H2/t4-/m1/s1",102.60806,61.06279,
1644,[C:1]1([H:7])([H:8])[O:2][C:3]([H:9])([H:10])[C@@:4]2([H:11])[N:5]([H:12])[C@@:6]12[H:13],[C:1]([O:2][C:3]([C:4][H:11])([H:9])[H:10])(/[C:6](=[N:5]\[H:12])[H:13])([H:7])[H:8],"InChI=1S/C4H7NO/c1-3-4(5-3)2-6-1/h3-5H,1-2H2/t3-,4+","InChI=1S/C4H7NO/c1-2-6-4-3-5/h1,3,5H,2,4H2/b5-3-",86.39018,87.065,
1645,[C:1]1([H:7])([H:8])[O:2][C:3]([H:9])([H:10])[C@@:4]2([H:11])[N:5]([H:12])[C@@:6]12[H:13],[C:1]1([H:7])([H:8])[O:2][C:3]([H:9])([H:10])[C:4][C@:6]1([N:5]([H:11])[H:12])[H:13],"InChI=1S/C4H7NO/c1-3-4(5-3)2-6-1/h3-5H,1-2H2/t3-,4+","InChI=1S/C4H7NO/c5-4-1-2-6-3-4/h4H,2-3,5H2/t4-/m1/s1",57.669309999999996,53.75849,
1646,[C:1]1([H:7])([H:8])[O:2][C:3]([H:9])([H:10])[C@@:4]2([H:11])[N:5]([H:12])[C@@:6]12[H:13],[C:1]1([H:7])([H:8])[O:2][C:3]([H:9])([H:10])[C:4][N:5]([H:12])[C:6]1([H:11])[H:13],"InChI=1S/C4H7NO/c1-3-4(5-3)2-6-1/h3-5H,1-2H2/t3-,4+","InChI=1S/C4H7NO/c1-3-6-4-2-5-1/h5H,1,3-4H2",71.38075,73.9613,
1647,[C:1]1([H:7])([H:8])[O:2][C:3]([H:9])([H:10])[C@@:4]2([H:11])[N:5]([H:12])[C@@:6]12[H:13],[C:1](\[O:2][C:3]([H:7])([H:9])[H:10])(=[C:6]([C:4](=[N:5]/[H:12])\[H:11])/[H:13])[H:8],"InChI=1S/C4H7NO/c1-3-4(5-3)2-6-1/h3-5H,1-2H2/t3-,4+","InChI=1S/C4H7NO/c1-6-4-2-3-5/h2-5H,1H3/b4-2-,5-3-",118.11713,-3.8695800000000005,
1648,[C:1]1([H:7])([H:8])[O:2][C:3]([H:9])([H:10])[C@@:4]2([H:11])[N:5]([H:12])[C@@:6]12[H:13],[C:1]([O:2][H:12])([C@@:6]1([H:13])[C@@:4]2([H:11])[C:3]([H:9])([H:10])[N:5]21)([H:7])[H:8],"InChI=1S/C4H7NO/c1-3-4(5-3)2-6-1/h3-5H,1-2H2/t3-,4+","InChI=1S/C4H7NO/c6-2-4-3-1-5(3)4/h3-4,6H,1-2H2/t3-,4+,5?/m1/s1",72.3103,26.31245,
1649,[C:1]1([H:7])([H:8])[O:2][C:3]([H:9])([H:10])[C@@:4]2([H:11])[N:5]([H:12])[C@@:6]12[H:13],[C:1]1([H:7])([H:8])[O+:2]=[C-:3][C@@:4]2([H:11])[N:5]([H:12])[C@@:6]12[H:13].[H:9][H:10],"InChI=1S/C4H7NO/c1-3-4(5-3)2-6-1/h3-5H,1-2H2/t3-,4+","InChI=1S/C4H5NO.H2/c1-3-4(5-3)2-6-1;/h3-5H,1H2;1H/t3-,4+;/m0./s1",73.45430999999999,67.45052,
1650,[C:1]1([H:7])([H:8])[O:2][C:3]([H:9])([H:10])[C@@:4]2([H:11])[N:5]([H:12])[C@@:6]12[H:13],[C:1]([O:2][C:3]([C@@:4]1([H:11])[N:5]=[C:6]1[H:13])([H:9])[H:10])([H:7])([H:8])[H:12],"InChI=1S/C4H7NO/c1-3-4(5-3)2-6-1/h3-5H,1-2H2/t3-,4+","InChI=1S/C4H7NO/c1-6-3-4-2-5-4/h2,4H,3H2,1H3/t4-/m0/s1",80.19699,26.63086,
1651,[C:1]1([H:7])([H:8])[O:2][C:3]([H:9])([H:10])[C@@:4]2([H:11])[N:5]([H:12])[C@@:6]12[H:13],[C-:1](=[O+:2][C:3]([C@@:4]1([H:11])[N:5]([H:12])[C:6]1([H:8])[H:13])([H:9])[H:10])[H:7],"InChI=1S/C4H7NO/c1-3-4(5-3)2-6-1/h3-5H,1-2H2/t3-,4+","InChI=1S/C4H7NO/c1-6-3-4-2-5-4/h1,4-5H,2-3H2/t4-/m0/s1",74.29865,68.46982,
1652,[C:1]1([H:7])([H:8])[O:2][C:3]([H:9])([H:10])[C@@:4]2([H:11])[N:5]([H:12])[C@@:6]12[H:13],[C:1]1([H:7])([H:8])[O:2][C:3]([H:9])([H:10])[C:6]1([N:5]([C:4][H:11])[H:12])[H:13],"InChI=1S/C4H7NO/c1-3-4(5-3)2-6-1/h3-5H,1-2H2/t3-,4+","InChI=1S/C4H7NO/c1-5-4-2-6-3-4/h1,4-5H,2-3H2",98.89778000000001,55.49105,
1653,[C:1]1([H:7])([H:8])[O:2][C:3]([H:9])([H:10])[C@@:4]2([H:11])[N:5]([H:12])[C@@:6]12[H:13],[C-:1]([C@@:6]1([H:13])[C+:4]([C:3]([O:2][H:11])([H:9])[H:10])[N:5]1[H:12])([H:7])[H:8],"InChI=1S/C4H7NO/c1-3-4(5-3)2-6-1/h3-5H,1-2H2/t3-,4+","InChI=1S/C4H7NO/c1-3-4(2-6)5-3/h3,5-6H,1-2H2/t3-/m0/s1",112.54535,59.28344,
1654,[C:1]1([H:7])([H:8])[O:2][C:3]([H:9])([H:10])[C@@:4]2([H:11])[N:5]([H:12])[C@@:6]12[H:13],[C:1]([O+:2]=[C:3]([C@@:4]1([H:11])[N:5]([H:12])[C-:6]1[H:13])[H:9])([H:7])([H:8])[H:10],"InChI=1S/C4H7NO/c1-3-4(5-3)2-6-1/h3-5H,1-2H2/t3-,4+","InChI=1S/C4H7NO/c1-6-3-4-2-5-4/h2-5H,1H3/t4-/m0/s1",119.73106999999999,68.88845,
1655,[C:1]1([H:7])([H:8])[O:2][C:3]([H:9])([H:10])[C@@:4]2([H:11])[N:5]([H:12])[C@@:6]12[H:13],[C:1]1([H:7])([H:8])[O:2][C@:6]1([N:5]([C:4](=[C:3]([H:9])[H:10])[H:11])[H:12])[H:13],"InChI=1S/C4H7NO/c1-3-4(5-3)2-6-1/h3-5H,1-2H2/t3-,4+","InChI=1S/C4H7NO/c1-2-5-4-3-6-4/h2,4-5H,1,3H2/t4-/m1/s1",68.41416,6.771960000000001,
1656,[C:1]1([H:7])([H:8])[O:2][C:3]([H:9])([H:10])[C@@:4]2([H:11])[N:5]([H:12])[C@@:6]12[H:13],[C:1](=[O:2])([H:7])[H:8].[C:3](=[C:4](/[C:6](=[N:5]\[H:12])[H:13])[H:11])([H:9])[H:10],"InChI=1S/C4H7NO/c1-3-4(5-3)2-6-1/h3-5H,1-2H2/t3-,4+","InChI=1S/C3H5N.CH2O/c1-2-3-4;1-2/h2-4H,1H2;1H2/b4-3-;",67.47776999999999,7.579,
1657,[C:1]1([H:7])([H:8])[O:2][C:3]([H:9])([H:10])[C@@:4]2([H:11])[N:5]([H:12])[C@@:6]12[H:13],[C:1]1([H:7])([H:8])[O:2][C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[N:5]=[C:6]1[H:13],"InChI=1S/C4H7NO/c1-3-4(5-3)2-6-1/h3-5H,1-2H2/t3-,4+","InChI=1S/C4H7NO/c1-3-6-4-2-5-1/h1H,2-4H2",63.1544,-12.00088,
1658,[C:1]1([H:7])([H:8])[O:2][C:3]([H:9])([H:10])[C@@:4]2([H:11])[N:5]([H:12])[C@@:6]12[H:13],[C:1]([O:2][C:3](=[C:4]([H:9])[H:11])[H:10])(/[C:6](=[N:5]\[H:12])[H:13])([H:7])[H:8],"InChI=1S/C4H7NO/c1-3-4(5-3)2-6-1/h3-5H,1-2H2/t3-,4+","InChI=1S/C4H7NO/c1-2-6-4-3-5/h2-3,5H,1,4H2/b5-3-",68.56641,-4.2179199999999994,
1659,[C:1]1([H:7])([H:8])[O:2][C:3]([H:9])([H:10])[C@@:4]2([H:11])[N:5]([H:12])[C@@:6]12[H:13],[C@:1]12([H:8])[O:2][C:3]([H:9])([H:10])[C:4]([H:7])([H:11])[C@@:6]1([H:13])[N:5]2[H:12],"InChI=1S/C4H7NO/c1-3-4(5-3)2-6-1/h3-5H,1-2H2/t3-,4+","InChI=1S/C4H7NO/c1-2-6-4-3(1)5-4/h3-5H,1-2H2/t3-,4+/m1/s1",83.29509,-0.31887,
1660,[C:1]1([H:7])([H:8])[O:2][C:3]([H:9])([H:10])[C@@:4]2([H:11])[N:5]([H:12])[C@@:6]12[H:13],[C@:1]12([H:7])[O:2][C:3]([H:9])([H:10])[C@@:4]1([H:11])[C@:6]2([N:5]([H:8])[H:12])[H:13],"InChI=1S/C4H7NO/c1-3-4(5-3)2-6-1/h3-5H,1-2H2/t3-,4+","InChI=1S/C4H7NO/c5-3-2-1-6-4(2)3/h2-4H,1,5H2/t2-,3+,4-/m0/s1",86.34227,22.27234,
1661,[C:1]1([H:7])([H:8])[O:2][C:3]([H:9])([H:10])[C@@:4]2([H:11])[N:5]([H:12])[C@@:6]12[H:13],[C:1]1([H:7])([H:8])[O:2][C:3]([H:9])([H:10])[C:4]2=[C:6]1[N:5]2[H:12].[H:11][H:13],"InChI=1S/C4H7NO/c1-3-4(5-3)2-6-1/h3-5H,1-2H2/t3-,4+","InChI=1S/C4H5NO.H2/c1-3-4(5-3)2-6-1;/h5H,1-2H2;1H",120.85675,122.557,
1662,[C:1]([C:2]([C:3]#[C:4][C:5]#[N:6])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([N:6]=[C:5]=[C:4]=[C:3]=[C:2]([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H5N/c1-2-3-4-5-6/h2H2,1H3","InChI=1S/C5H5N/c1-3-4-5-6-2/h1H2,2H3",91.38998000000001,24.74632,
1663,[C:1]([C:2]([C:3]#[C:4][C:5]#[N:6])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3](=[C:4])[C:5]#[N:6])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H5N/c1-2-3-4-5-6/h2H2,1H3","InChI=1S/C5H5N/c1-3-5(2)4-6/h3H2,1H3",55.689280000000004,62.022819999999996,
1664,[C:1]([C:2]([C:3]#[C:4][C:5]#[N:6])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]=[C:4]=[C:5]=[N:6][H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H5N/c1-2-3-4-5-6/h2H2,1H3","InChI=1S/C5H5N/c1-2-3-4-5-6/h2,6H,1H3",82.67602,17.86412,
1665,[C:1]([C:2]([C:3]#[C:4][C:5]#[N:6])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]#[C:4][N+:6]#[C-:5])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H5N/c1-2-3-4-5-6/h2H2,1H3","InChI=1S/C5H5N/c1-3-4-5-6-2/h3H2,1H3",62.5173,31.195990000000002,
1666,[C:1]([C:2]([C:3]#[C:4][C:5]#[N:6])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](/[C:2](=[C:3](\[C+:4]=[C:5]=[N-:6])[H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H5N/c1-2-3-4-5-6/h2H2,1H3","InChI=1S/C5H5N/c1-2-3-4-5-6/h2-3H,1H3/b3-2-",60.540119999999995,43.2103,
1667,[C:1]([C:2]([C:3]#[C:4][C:5]#[N:6])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3][C@@:4]1([C:5]#[N:6])[H:7],"InChI=1S/C5H5N/c1-2-3-4-5-6/h2H2,1H3","InChI=1S/C5H5N/c6-4-5-2-1-3-5/h5H,1-2H2/t5-/m1/s1",98.20761999999999,72.32223,
1668,[C:1]([C:2]([C:3]#[C:4][C:5]#[N:6])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3](=[C-:4])[N+:6]#[C:5])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H5N/c1-2-3-4-5-6/h2H2,1H3","InChI=1S/C5H5N/c1-4-5(2)6-3/h4H2,1H3",94.62689,88.38064,
1669,[C:1]([C:2]([C:3]#[C:4][C:5]#[N:6])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:3]1=[C:4]([C:5]#[N:6])[C:2]1([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H5N/c1-2-3-4-5-6/h2H2,1H3","InChI=1S/C5H5N/c1-4-2-5(4)3-6/h2H2,1H3",87.56733,14.493839999999999,
1670,[C:1]([C:2]([C:3]#[C:4][C:5]#[N:6])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([N+:6]#[C:5][C:4]#[C-:3])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H5N/c1-2-3-4-5-6/h2H2,1H3","InChI=1S/C5H5N/c1-3-5-6-4-2/h4H2,2H3",119.02453,53.715230000000005,
1671,[C:1]([C:2]([C:3]#[C:4][C:5]#[N:6])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C@:2]1([H:11])[C+:3]=[C:4]=[C-:5][N:6]1[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H5N/c1-2-3-4-5-6/h2H2,1H3","InChI=1S/C5H5N/c1-5-3-2-4-6-5/h5-6H,1H3/t5-/m1/s1",130.49379,108.97746000000001,
1672,[C:1]([C:2]([C:3]#[C:4][C:5]#[N:6])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:4](=[C:3]=[C:2]([H:10])[H:11])[C:5]#[N:6])([H:7])([H:8])[H:9],"InChI=1S/C5H5N/c1-2-3-4-5-6/h2H2,1H3","InChI=1S/C5H5N/c1-3-5(2)4-6/h1H2,2H3",75.06959,-0.8974,
1673,[C:1]([C:2]([C:3]#[C:4][C:5]#[N:6])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:5]1=[N:6][C:4]1=[C:3]=[C:2]([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H5N/c1-2-3-4-5-6/h2H2,1H3","InChI=1S/C5H5N/c1-3-5-4(2)6-5/h1H2,2H3",127.82907,40.37505,
1674,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[O:4][C:5]1=[O:6])([H:7])([H:8])[H:9],[C:1]([C:5]([C:2]([C:3](=[O:4])[H:11])([H:10])[H:12])=[O:6])([H:7])([H:8])[H:9],"InChI=1S/C4H6O2/c1-3-2-6-4(3)5/h3H,2H2,1H3/t3-/m0/s1","InChI=1S/C4H6O2/c1-4(6)2-3-5/h3H,2H2,1H3",88.49413,1.36038,
1675,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[O:4][C:5]1=[O:6])([H:7])([H:8])[H:9],[C:1]([C:2]1=[C:5]([O:6][H:10])[O:4][C:3]1([H:11])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H6O2/c1-3-2-6-4(3)5/h3H,2H2,1H3/t3-/m0/s1","InChI=1S/C4H6O2/c1-3-2-6-4(3)5/h5H,2H2,1H3",85.71155999999999,31.00962,ketoenol
1676,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[O:4][C:5]1=[O:6])([H:7])([H:8])[H:9],[C:1]([C+:2]=[C:5]([O:4][C:3]([H:10])([H:11])[H:12])[O-:6])([H:7])([H:8])[H:9],"InChI=1S/C4H6O2/c1-3-2-6-4(3)5/h3H,2H2,1H3/t3-/m0/s1",InChI=1S/C4H6O2/c1-3-4(5)6-2/h1-2H3,70.76312,70.35649000000001,
1677,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[O:4][C:5]1=[O:6])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:5]=[O:6])[H:10])([H:7])([H:8])[H:9].[C:3](=[O:4])([H:11])[H:12],"InChI=1S/C4H6O2/c1-3-2-6-4(3)5/h3H,2H2,1H3/t3-/m0/s1","InChI=1S/C3H4O.CH2O/c1-2-3-4;1-2/h2H,1H3;1H2",45.311370000000004,31.237029999999997,2+2_cycloaddition
1678,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[O:4][C:5]1=[O:6])([H:7])([H:8])[H:9],[C:1]1([H:8])([H:9])[C@:2]([C:3]([O:4][H:7])([H:11])[H:12])([H:10])[C:5]1=[O:6],"InChI=1S/C4H6O2/c1-3-2-6-4(3)5/h3H,2H2,1H3/t3-/m0/s1","InChI=1S/C4H6O2/c5-2-3-1-4(3)6/h3,5H,1-2H2/t3-/m0/s1",84.67378000000001,35.53796,
1679,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[O:4][C:5]1=[O:6])([H:7])([H:8])[H:9],[C:1](=[C:2]([C:3]([O:4][C:5](=[O:6])[H:7])([H:11])[H:12])[H:10])([H:8])[H:9],"InChI=1S/C4H6O2/c1-3-2-6-4(3)5/h3H,2H2,1H3/t3-/m0/s1","InChI=1S/C4H6O2/c1-2-3-6-4-5/h2,4H,1,3H2",91.6885,11.52745,
1680,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[O:4][C:5]1=[O:6])([H:7])([H:8])[H:9],[C:1]([O:6][C:5]1=[C:2]([H:10])[C:3]([H:11])([H:12])[O:4]1)([H:7])([H:8])[H:9],"InChI=1S/C4H6O2/c1-3-2-6-4(3)5/h3H,2H2,1H3/t3-/m0/s1","InChI=1S/C4H6O2/c1-5-4-2-3-6-4/h2H,3H2,1H3",97.31739,44.24367,ketoenol
1681,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[O:4][C:5]1=[O:6])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C-:3]([H:12])[O+:4]=[C:5]1[O:6][H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H6O2/c1-3-2-6-4(3)5/h3H,2H2,1H3/t3-/m0/s1","InChI=1S/C4H6O2/c1-3-2-6-4(3)5/h2-3,5H,1H3/t3-/m0/s1",107.4333,75.44413,
1682,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[O:4][C:5]1=[O:6])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]([H:11])[H:12])[H:10])([H:7])([H:8])[H:9].[O:4]=[C:5]=[O:6],"InChI=1S/C4H6O2/c1-3-2-6-4(3)5/h3H,2H2,1H3/t3-/m0/s1","InChI=1S/C3H6.CO2/c1-3-2;2-1-3/h3H,1H2,2H3;",30.92567,-14.89039,2+2_cycloaddition
1683,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[O:4][C:5]1=[O:6])([H:7])([H:8])[H:9],[C-:5]#[O+:6].[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[O:4]1)([H:7])([H:8])[H:9],"InChI=1S/C4H6O2/c1-3-2-6-4(3)5/h3H,2H2,1H3/t3-/m0/s1","InChI=1S/C3H6O.CO/c1-3-2-4-3;1-2/h3H,2H2,1H3;/t3-;/m0./s1",77.18942,27.62753,
1684,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[O:4][C:5]1=[O:6])([H:7])([H:8])[H:9],[C:1]([O:4][C:3]([C:2](=[C:5]=[O:6])[H:10])([H:11])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H6O2/c1-3-2-6-4(3)5/h3H,2H2,1H3/t3-/m0/s1","InChI=1S/C4H6O2/c1-6-4-2-3-5/h2H,4H2,1H3",92.40645,25.33472,
1685,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[O:4][C:5]1=[O:6])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([O:4][H:10])([H:11])[H:12])=[C:5]=[O:6])([H:7])([H:8])[H:9],"InChI=1S/C4H6O2/c1-3-2-6-4(3)5/h3H,2H2,1H3/t3-/m0/s1","InChI=1S/C4H6O2/c1-4(2-5)3-6/h5H,2H2,1H3",72.2742,14.97534,
1686,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[O:4][C:5]1=[O:6])([H:7])([H:8])[H:9],[C:1]([C:2]([C:5]([O+:4]=[C-:3][H:12])=[O:6])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H6O2/c1-3-2-6-4(3)5/h3H,2H2,1H3/t3-/m0/s1","InChI=1S/C4H6O2/c1-3-4(5)6-2/h2H,3H2,1H3",65.05581,60.666219999999996,
1687,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[O:4][C:5]1=[O:6])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C-:3]=[O+:4][C:5]1=[O:6])([H:7])([H:8])[H:9].[H:11][H:12],"InChI=1S/C4H6O2/c1-3-2-6-4(3)5/h3H,2H2,1H3/t3-/m0/s1","InChI=1S/C4H4O2.H2/c1-3-2-6-4(3)5;/h3H,1H3;1H/t3-;/m0./s1",85.64419000000001,79.96246,
1688,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[O:4][C:5]1=[O:6])([H:7])([H:8])[H:9],[C:1](=[C:2]([C:5](=[O+:4][C-:3]([H:11])[H:12])[O:6][H:7])[H:10])([H:8])[H:9],"InChI=1S/C4H6O2/c1-3-2-6-4(3)5/h3H,2H2,1H3/t3-/m0/s1","InChI=1S/C4H6O2/c1-3-4(5)6-2/h3,5H,1-2H2",88.6947,66.67546,
1689,[C:1]([O:2][C:3](=[O:4])[C:5]#[C:6][H:10])([H:7])([H:8])[H:9],[C:1]([O:2][C:6](=[C:5]=[C:3]=[O:4])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H4O2/c1-3-4(5)6-2/h1H,2H3","InChI=1S/C4H4O2/c1-6-4-2-3-5/h4H,1H3",57.249159999999996,1.29605,
1690,[C:1]([O:2][C:3](=[O:4])[C:5]#[C:6][H:10])([H:7])([H:8])[H:9],[C:1]([O:2][C:3]#[C:5][C:6](=[O:4])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H4O2/c1-3-4(5)6-2/h1H,2H3","InChI=1S/C4H4O2/c1-6-4-2-3-5/h3H,1H3",82.17885,20.849420000000002,
1691,[C:1]([O:2][C:3](=[O:4])[C:5]#[C:6][H:10])([H:7])([H:8])[H:9],[C:1]([O:2][C:3](=[O:4])[C:5](=[C:6])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H4O2/c1-3-4(5)6-2/h1H,2H3","InChI=1S/C4H4O2/c1-3-4(5)6-2/h3H,2H3",42.99566,48.68267,Singlet_Carbene_Intra_Disproportionation
1692,[C:1]([O:2][C:3](=[O:4])[C:5]#[C:6][H:10])([H:7])([H:8])[H:9],[C:1](=[O:2])([H:7])[H:9].[C:3](=[O:4])=[C:5]=[C:6]([H:8])[H:10],"InChI=1S/C4H4O2/c1-3-4(5)6-2/h1H,2H3",InChI=1S/C3H2O.CH2O/c1-2-3-4;1-2/h1H2;1H2,39.028859999999995,22.22899,Retroene
1693,[C:1]([O:2][C:3](=[O:4])[C:5]#[C:6][H:10])([H:7])([H:8])[H:9],[C:1]([O+:2]=[C-:3][O:4][C:5]#[C:6][H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H4O2/c1-3-4(5)6-2/h1H,2H3","InChI=1S/C4H4O2/c1-3-6-4-5-2/h1H,2H3",87.77162,67.14453,
1694,[C:1]([O:2][C:3](=[O:4])[C:5]#[C:6][H:10])([H:7])([H:8])[H:9],[C:1]([C:5]#[C:6][H:10])([H:7])([H:8])[H:9].[O:2]=[C:3]=[O:4],"InChI=1S/C4H4O2/c1-3-4(5)6-2/h1H,2H3","InChI=1S/C3H4.CO2/c1-3-2;2-1-3/h1H,2H3;",69.22774,-23.67835,
1695,[C:1]([O:2][C:3](=[O:4])[C:5]#[C:6][H:10])([H:7])([H:8])[H:9],[C:1](=[O:2])([H:7])[H:9].[C:3](=[O:4])([C:5]#[C:6][H:10])[H:8],"InChI=1S/C4H4O2/c1-3-4(5)6-2/h1H,2H3","InChI=1S/C3H2O.CH2O/c1-2-3-4;1-2/h1,3H;1H2",72.11570999999999,31.66818,
1696,[C:1]([O:2][C:3](=[O:4])[C:5]#[C:6][H:10])([H:7])([H:8])[H:9],[C:1]([O+:2]=[C:3]([O:4][H:10])[C:5]#[C-:6])([H:7])([H:8])[H:9],"InChI=1S/C4H4O2/c1-3-4(5)6-2/h1H,2H3","InChI=1S/C4H4O2/c1-3-4(5)6-2/h5H,2H3",83.39959,47.91901,
1697,[C:1]([O:2][C:3](=[O:4])[C:5]#[C:6][H:10])([H:7])([H:8])[H:9],[C:1]([O:2][c:5]1[c:3](=[O:4])[c:6]1[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H4O2/c1-3-4(5)6-2/h1H,2H3","InChI=1S/C4H4O2/c1-6-4-2-3(4)5/h2H,1H3",58.990790000000004,14.5851,
1698,[C:1]([C:2](=[O:3])[O:4]/[C:5](=[N:6]/[H:11])[H:10])([H:7])([H:8])[H:9],[C:1](=[C:2]=[O:3])([H:7])[H:9].[O:4]=[C:5]([N:6]([H:8])[H:11])[H:10],"InChI=1S/C3H5NO2/c1-3(5)6-2-4/h2,4H,1H3/b4-2+","InChI=1S/C2H2O.CH3NO/c1-2-3;2-1-3/h1H2;1H,(H2,2,3)",26.53302,14.340629999999999,Retroene
1699,[C:1]([C:2](=[O:3])[O:4]/[C:5](=[N:6]/[H:11])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2](=[O:3])[N:6]([C:5](=[O:4])[H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C3H5NO2/c1-3(5)6-2-4/h2,4H,1H3/b4-2+","InChI=1S/C3H5NO2/c1-3(6)4-2-5/h2H,1H3,(H,4,5,6)",18.165110000000002,-14.5592,ketoenol
1700,[C:1]([C:2](=[O:3])[O:4]/[C:5](=[N:6]/[H:11])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2]([O:3][H:10])=[O:4])([H:7])([H:8])[H:9].[C:5]=[N:6][H:11],"InChI=1S/C3H5NO2/c1-3(5)6-2-4/h2,4H,1H3/b4-2+","InChI=1S/C2H4O2.CHN/c1-2(3)4;1-2/h1H3,(H,3,4);2H",35.54763,23.98852,
1701,[C:1]([C:2](=[O:3])[O:4]/[C:5](=[N:6]/[H:11])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2](=[O:3])[H:8])([N:6]([C:5](=[O:4])[H:10])[H:11])([H:7])[H:9],"InChI=1S/C3H5NO2/c1-3(5)6-2-4/h2,4H,1H3/b4-2+","InChI=1S/C3H5NO2/c5-2-1-4-3-6/h2-3H,1H2,(H,4,6)",94.0133,6.1917,
1702,[C:1]([C:2](=[O:3])[O:4]/[C:5](=[N:6]/[H:11])[H:10])([H:7])([H:8])[H:9],[C:1](=[C:2]([O:3][H:8])[O:4]/[C:5](=[N:6]/[H:11])[H:10])([H:7])[H:9],"InChI=1S/C3H5NO2/c1-3(5)6-2-4/h2,4H,1H3/b4-2+","InChI=1S/C3H5NO2/c1-3(5)6-2-4/h2,4-5H,1H2/b4-2+",69.75446,24.13749,ketoenol
1703,[C:1]([C:2](=[O:3])[O:4]/[C:5](=[N:6]/[H:11])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2](=[O:3])[O+:4]=[C-:5][N:6]([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C3H5NO2/c1-3(5)6-2-4/h2,4H,1H3/b4-2+","InChI=1S/C3H5NO2/c1-3(5)6-2-4/h4H2,1H3",72.66336,31.330959999999997,
1704,[C:1]([C:2](=[O:3])[O:4]/[C:5](=[N:6]/[H:11])[H:10])([H:7])([H:8])[H:9],[C:1]([O+:3]=[C-:2][O:4]/[C:5](=[N:6]/[H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C3H5NO2/c1-3(5)6-2-4/h2,4H,1H3/b4-2+","InChI=1S/C3H5NO2/c1-5-3-6-2-4/h2,4H,1H3/b4-2+",103.40154,65.67475,
1705,[C:1]([C:2](=[O:3])[O:4]/[C:5](=[N:6]/[H:11])[H:10])([H:7])([H:8])[H:9],[C:1](=[C:2]1[O:3][N:6]([H:11])[C:5]([H:8])([H:10])[O:4]1)([H:7])[H:9],"InChI=1S/C3H5NO2/c1-3(5)6-2-4/h2,4H,1H3/b4-2+","InChI=1S/C3H5NO2/c1-3-5-2-4-6-3/h4H,1-2H2",95.73513,65.20436,
1706,[C:1]([C:2](=[O:3])[O:4]/[C:5](=[N:6]/[H:11])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2](=[O:3])[H:10])([H:7])([H:8])[H:9].[O:4]=[C:5]=[N:6][H:11],"InChI=1S/C3H5NO2/c1-3(5)6-2-4/h2,4H,1H3/b4-2+","InChI=1S/C2H4O.CHNO/c1-2-3;2-1-3/h2H,1H3;2H",47.30451,4.03322,
1707,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]1([N:4]1[C:5]([H:12])([H:13])[C:6]1([H:14])[H:15])[H:11],[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]([H:11])=[N:4]1.[C:5](=[C:6]([H:14])[H:15])([H:12])[H:13],"InChI=1S/C5H9N/c1-2-5(1)6-3-4-6/h5H,1-4H2","InChI=1S/C3H5N.C2H4/c1-2-4-3-1;1-2/h2H,1,3H2;1-2H2",60.63709,5.361669999999999,
1708,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]1([N:4]1[C:5]([H:12])([H:13])[C:6]1([H:14])[H:15])[H:11],[C:1]1([H:7])([H:8])[C@@:3]2([H:11])[C:2]([H:9])([H:10])[N:4]2[C:5]([H:12])([H:13])[C:6]1([H:14])[H:15],"InChI=1S/C5H9N/c1-2-5(1)6-3-4-6/h5H,1-4H2","InChI=1S/C5H9N/c1-2-5-4-6(5)3-1/h5H,1-4H2/t5-,6?/m0/s1",85.67215,23.27873,
1709,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]1([N:4]1[C:5]([H:12])([H:13])[C:6]1([H:14])[H:15])[H:11],[C:1]([C@@:3]([C:2]([H:8])([H:9])[H:10])([N:4]1[C:5]([H:12])([H:13])[C:6]1([H:14])[H:15])[H:11])[H:7],"InChI=1S/C5H9N/c1-2-5(1)6-3-4-6/h5H,1-4H2","InChI=1S/C5H9N/c1-5(2)6-3-4-6/h1,5H,3-4H2,2H3/t5-/m0/s1",67.3974,73.71003,
1710,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]1([N:4]1[C:5]([H:12])([H:13])[C:6]1([H:14])[H:15])[H:11],[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]1([N+:4]1([H:13])[C-:5]([H:12])[C:6]1([H:14])[H:15])[H:11],"InChI=1S/C5H9N/c1-2-5(1)6-3-4-6/h5H,1-4H2","InChI=1S/C5H9N/c1-2-5(1)6-3-4-6/h3,5-6H,1-2,4H2",63.4147,55.68751999999999,
1711,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]1([N:4]1[C:5]([H:12])([H:13])[C:6]1([H:14])[H:15])[H:11],[C-:1]1([H:7])[C:2]([H:9])([H:10])[C@:3]1([N:4]1[C:5]([H:12])([H:13])[C+:6]1[H:14])[H:11].[H:8][H:15],"InChI=1S/C5H9N/c1-2-5(1)6-3-4-6/h5H,1-4H2","InChI=1S/C5H7N.H2/c1-2-5(1)6-3-4-6;/h1,3,5H,2,4H2;1H/t5-,6?;/m0./s1",128.56502,106.91576,
1712,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]1([N:4]1[C:5]([H:12])([H:13])[C:6]1([H:14])[H:15])[H:11],[C:1]1([H:7])([H:8])[C:2]([H:10])=[C:3]1[N:4]1[C:5]([H:12])([H:13])[C:6]1([H:14])[H:15].[H:9][H:11],"InChI=1S/C5H9N/c1-2-5(1)6-3-4-6/h5H,1-4H2","InChI=1S/C5H7N.H2/c1-2-5(1)6-3-4-6;/h1H,2-4H2;1H",109.86885,48.71675,
1713,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]1([N:4]1[C:5]([H:12])([H:13])[C:6]1([H:14])[H:15])[H:11],[C:1](=[C:3]([C:2]([C:5]([N:4]=[C:6]([H:14])[H:15])([H:12])[H:13])([H:9])[H:10])[H:11])([H:7])[H:8],"InChI=1S/C5H9N/c1-2-5(1)6-3-4-6/h5H,1-4H2","InChI=1S/C5H9N/c1-3-4-5-6-2/h3H,1-2,4-5H2",85.08054,-22.93029,
1714,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]1([N:4]1[C:5]([H:12])([H:13])[C:6]1([H:14])[H:15])[H:11],[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[N+:4]2([C:3]1([H:11])[H:15])[C:5]([H:12])([H:13])[C-:6]2[H:14],"InChI=1S/C5H9N/c1-2-5(1)6-3-4-6/h5H,1-4H2","InChI=1S/C5H9N/c1-2-6(3-1)4-5-6/h4H,1-3,5H2",87.7708,53.0491,
1715,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]1([N:4]1[C:5]([H:12])([H:13])[C:6]1([H:14])[H:15])[H:11],[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:6]([H:14])([H:15])[N+:4]([C-:5]([H:12])[H:13])=[C:3]1[H:11],"InChI=1S/C5H9N/c1-2-5(1)6-3-4-6/h5H,1-4H2","InChI=1S/C5H9N/c1-6-4-2-3-5-6/h4H,1-3,5H2",60.64001999999999,-6.65142,
1716,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]1([N:4]1[C:5]([H:12])([H:13])[C:6]1([H:14])[H:15])[H:11],[C:1](=[C:3]([C:2]([H:9])([H:10])[H:12])[H:11])([H:7])[H:8].[N:4]1=[C:5]([H:13])[C:6]1([H:14])[H:15],"InChI=1S/C5H9N/c1-2-5(1)6-3-4-6/h5H,1-4H2","InChI=1S/C3H6.C2H3N/c1-3-2;1-2-3-1/h3H,1H2,2H3;1H,2H2",68.46319,14.48301,
1717,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]1([N:4]1[C:5]([H:12])([H:13])[C:6]1([H:14])[H:15])[H:11],[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]1([N+:4]([C-:5]([H:12])[H:13])=[C:6]([H:14])[H:15])[H:11],"InChI=1S/C5H9N/c1-2-5(1)6-3-4-6/h5H,1-4H2","InChI=1S/C5H9N/c1-6(2)5-3-4-5/h5H,1-4H2",38.192370000000004,19.630760000000002,
1718,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]1([N:4]1[C:5]([H:12])([H:13])[C:6]1([H:14])[H:15])[H:11],[C+:1]([C:2]([C@:3]1([H:11])[N-:4][C:6]([H:14])([H:15])[C:5]1([H:12])[H:13])([H:9])[H:10])([H:7])[H:8],"InChI=1S/C5H9N/c1-2-5(1)6-3-4-6/h5H,1-4H2","InChI=1S/C5H9N/c1-2-5-3-4-6-5/h5H,1-4H2/t5-/m0/s1",82.37748,44.4576,
1719,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]1([N:4]1[C:5]([H:12])([H:13])[C:6]1([H:14])[H:15])[H:11],[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]1=[N+:4]1[C:5]([H:12])([H:13])[C-:6]1[H:14].[H:11][H:15],"InChI=1S/C5H9N/c1-2-5(1)6-3-4-6/h5H,1-4H2","InChI=1S/C5H7N.H2/c1-2-5(1)6-3-4-6;/h3H,1-2,4H2;1H",75.67175999999999,74.14981,
1720,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]1([N:4]1[C:5]([H:12])([H:13])[C:6]1([H:14])[H:15])[H:11],[C:1]([C:2]([C-:3]([N+:4]1=[C:5]([H:12])[C:6]1([H:14])[H:15])[H:11])([H:9])[H:10])([H:7])([H:8])[H:13],"InChI=1S/C5H9N/c1-2-5(1)6-3-4-6/h5H,1-4H2","InChI=1S/C5H9N/c1-2-3-6-4-5-6/h3-4H,2,5H2,1H3",55.21419,25.82546,
1721,[O:1]([C:2]([C:3]([O:4][H:10])([H:8])[H:9])([H:6])[H:7])[H:5],[C:2]([C:3](=[O:4])[H:8])([H:6])([H:7])[H:9].[O:1]([H:5])[H:10],"InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2","InChI=1S/C2H4O.H2O/c1-2-3;/h2H,1H3;1H2",57.177569999999996,-1.79139,
1722,[O:1]([C:2]([C:3]([O:4][H:10])([H:8])[H:9])([H:6])[H:7])[H:5],[H:5][H:8].[O:1]([C:2]([C:3](=[O:4])[H:9])([H:6])[H:7])[H:10],"InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2","InChI=1S/C2H4O2.H2/c3-1-2-4;/h1,4H,2H2;1H",56.89963,17.00149,
1723,[O:1]([C:2]([C:3]([O:4][H:10])([H:8])[H:9])([H:6])[H:7])[H:5],[O:1]([C:2]([C:3]([H:6])([H:8])[H:9])([O:4][H:10])[H:7])[H:5],"InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2","InChI=1S/C2H6O2/c1-2(3)4/h2-4H,1H3",85.54782,-11.817060000000001,
1724,[O:1]([C:2]([C:3]([O:4][H:10])([H:8])[H:9])([H:6])[H:7])[H:5],[C:3](=[O:4])([H:8])[H:9].[O:1]([C:2]([H:5])([H:6])[H:7])[H:10],"InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2","InChI=1S/CH4O.CH2O/c2*1-2/h2H,1H3;1H2",78.80708,19.72404,
1725,[O:1]([C:2]([C:3]([O:4][H:10])([H:8])[H:9])([H:6])[H:7])[H:5],[O:1]1[C:2]([H:6])([H:7])[C:3]1([H:8])[H:9].[O:4]([H:5])[H:10],"InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2",InChI=1S/C2H4O.H2O/c1-2-3-1;/h1-2H2;1H2,59.183130000000006,25.74401,
1726,[O:1]([C:2]([C:3]([O:4][H:10])([H:8])[H:9])([H:6])[H:7])[H:5],[C:3]([H:8])[H:9].[O:1]([C:2]([O:4][H:10])([H:6])[H:7])[H:5],"InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2","InChI=1S/CH4O2.CH2/c2-1-3;/h2-3H,1H2;1H2",106.72083,111.08802,
1727,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([N:4]([C:5](=[O:6])[H:15])[H:14])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([N:4]([C:5][O:6][H:15])[H:14])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-4(2)5-3-6/h3-4H,1-2H3,(H,5,6)","InChI=1S/C4H9NO/c1-4(2)5-3-6/h4-6H,1-2H3",72.94466,43.56847,
1728,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([N:4]([C:5](=[O:6])[H:15])[H:14])[H:10])([H:7])([H:8])[H:9],[C:1]([C-:2]([N:4]([C:5](=[O+:6][C:3]([H:11])([H:12])[H:13])[H:15])[H:14])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-4(2)5-3-6/h3-4H,1-2H3,(H,5,6)","InChI=1S/C4H9NO/c1-3-5-4-6-2/h3-5H,1-2H3",83.26485,69.22466,
1729,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([N:4]([C:5](=[O:6])[H:15])[H:14])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])(/[N:4]=[C:5](/[O:6][H:14])[H:15])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-4(2)5-3-6/h3-4H,1-2H3,(H,5,6)","InChI=1S/C4H9NO/c1-4(2)5-3-6/h3-4H,1-2H3,(H,5,6)",41.15059,8.83844,ketoenol
1730,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([N:4]([C:5](=[O:6])[H:15])[H:14])[H:10])([H:7])([H:8])[H:9],[C-:5]#[O+:6].[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([N:4]([H:14])[H:15])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-4(2)5-3-6/h3-4H,1-2H3,(H,5,6)","InChI=1S/C3H9N.CO/c1-3(2)4;1-2/h3H,4H2,1-2H3;",75.69479,15.037,"1,2_Insertion_CO"
1731,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([N:4]([C:5](=[O:6])[H:15])[H:14])[H:10])([H:7])([H:8])[H:9],[C:1](=[C:2]([C:3]([H:11])([H:12])[H:13])/[N:4]=[C:5](\[O:6][H:10])[H:15])([H:7])[H:9].[H:8][H:14],"InChI=1S/C4H9NO/c1-4(2)5-3-6/h3-4H,1-2H3,(H,5,6)","InChI=1S/C4H7NO.H2/c1-4(2)5-3-6;/h3H,1H2,2H3,(H,5,6);1H",90.74466,34.24738,
1732,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([N:4]([C:5](=[O:6])[H:15])[H:14])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([O:6]/[C:5](=[N:4]/[H:14])[H:15])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-4(2)5-3-6/h3-4H,1-2H3,(H,5,6)","InChI=1S/C4H9NO/c1-4(2)6-3-5/h3-5H,1-2H3/b5-3+",57.78835,15.17215,ketoenol
1733,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([N:4]([C:5](=[O:6])[H:15])[H:14])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])=[N:4][H:14])([H:7])([H:8])[H:9].[C:5](=[O:6])([H:10])[H:15],"InChI=1S/C4H9NO/c1-4(2)5-3-6/h3-4H,1-2H3,(H,5,6)","InChI=1S/C3H7N.CH2O/c1-3(2)4;1-2/h4H,1-2H3;1H2",92.53764,32.854040000000005,
1734,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([N:4]([C:5](=[O:6])[H:15])[H:14])[H:10])([H:7])([H:8])[H:9],[C-:5]#[O+:6].[C:1](/[C:2](=[N:4]\[H:14])[H:10])([H:7])([H:8])[H:9].[C:3]([H:11])([H:12])([H:13])[H:15],"InChI=1S/C4H9NO/c1-4(2)5-3-6/h3-4H,1-2H3,(H,5,6)","InChI=1S/C2H5N.CO.CH4/c1-2-3;1-2;/h2-3H,1H3;;1H4/b3-2-;;",77.15342,24.7333,
1735,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([N:4]([C:5](=[O:6])[H:15])[H:14])[H:10])([H:7])([H:8])[H:9],[C:1]1([H:7])([H:9])[C@:2]([C:3]([H:11])([H:12])[H:13])([H:10])[N:4]1[H:14].[C:5](=[O:6])([H:8])[H:15],"InChI=1S/C4H9NO/c1-4(2)5-3-6/h3-4H,1-2H3,(H,5,6)","InChI=1S/C3H7N.CH2O/c1-3-2-4-3;1-2/h3-4H,2H2,1H3;1H2/t3-;/m1./s1",101.03316,57.01791,
1736,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([N:4]([C:5](=[O:6])[H:15])[H:14])[H:10])([H:7])([H:8])[H:9],[C:1](=[C:2]([C:3]([H:11])([H:12])[H:13])[H:10])([H:7])[H:9].[N:4](=[C:5](/[O:6][H:8])[H:15])\[H:14],"InChI=1S/C4H9NO/c1-4(2)5-3-6/h3-4H,1-2H3,(H,5,6)","InChI=1S/C3H6.CH3NO/c1-3-2;2-1-3/h3H,1H2,2H3;1H,(H2,2,3)",50.25535,26.85918,Retroene
1737,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([N:4]([C:5](=[O:6])[H:15])[H:14])[H:10])([H:7])([H:8])[H:9],[C-:2]([C:3]([H:11])([H:12])[H:13])=[N+:4]([C:5](=[O:6])[H:15])[H:14].[C:1]([H:7])([H:8])([H:9])[H:10],"InChI=1S/C4H9NO/c1-4(2)5-3-6/h3-4H,1-2H3,(H,5,6)","InChI=1S/C3H5NO.CH4/c1-2-4-3-5;/h3-4H,1H3;1H4",72.93122,63.71167,
1738,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([N:4]([C:5](=[O:6])[H:15])[H:14])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([N+:4]1([H:14])[C-:5]([H:15])[O:6]1)[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-4(2)5-3-6/h3-4H,1-2H3,(H,5,6)","InChI=1S/C4H9NO/c1-4(2)5-3-6-5/h3-5H,1-2H3",124.99791,123.84998999999999,
1739,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([N:4]([C:5](=[O:6])[H:15])[H:14])[H:10])([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:14].[C:2](\[C:3]([H:11])([H:12])[H:13])(=[N:4]/[C:5](=[O:6])[H:15])[H:10],"InChI=1S/C4H9NO/c1-4(2)5-3-6/h3-4H,1-2H3,(H,5,6)","InChI=1S/C3H5NO.CH4/c1-2-4-3-5;/h2-3H,1H3;1H4/b4-2+;",90.05473,21.67626,
1740,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([N:4]([C:5](=[O:6])[H:15])[H:14])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([N:4]=[C:5]=[O:6])[H:10])([H:7])([H:8])[H:9].[H:14][H:15],"InChI=1S/C4H9NO/c1-4(2)5-3-6/h3-4H,1-2H3,(H,5,6)","InChI=1S/C4H7NO.H2/c1-4(2)5-3-6;/h4H,1-2H3;1H",70.54552,15.58857,
1741,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([N:4]([C:5](=[O:6])[H:15])[H:14])[H:10])([H:7])([H:8])[H:9],[C:1]([C-:2]([C:3]([H:11])([H:12])[H:13])[N+:4]([C:5](=[O:6])[H:15])([H:10])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-4(2)5-3-6/h3-4H,1-2H3,(H,5,6)","InChI=1S/C4H9NO/c1-4(2)5-3-6/h3H,5H2,1-2H3",93.94855,88.49253,
1742,[N:1](=[C:2](/[O:3][C:4]([C:5](=[O:6])[H:11])([H:9])[H:10])[H:8])\[H:7],[C:5](=[O:6])([H:7])[H:11].[N:1]#[C:2][H:8].[O:3]=[C:4]([H:9])[H:10],"InChI=1S/C3H5NO2/c4-3-6-2-1-5/h1,3-4H,2H2/b4-3+",InChI=1S/CHN.2CH2O/c3*1-2/h1H;2*1H2,65.58904,37.16517,
1743,[N:1](=[C:2](/[O:3][C:4]([C:5](=[O:6])[H:11])([H:9])[H:10])[H:8])\[H:7],[N:1]([C:2](=[O:3])[H:8])([C:4]([C:5](=[O:6])[H:11])([H:9])[H:10])[H:7],"InChI=1S/C3H5NO2/c4-3-6-2-1-5/h1,3-4H,2H2/b4-3+","InChI=1S/C3H5NO2/c5-2-1-4-3-6/h2-3H,1H2,(H,4,6)",38.448479999999996,-14.80052,ketoenol
1744,[N:1](=[C:2](/[O:3][C:4]([C:5](=[O:6])[H:11])([H:9])[H:10])[H:8])\[H:7],[N:1]([C:2](=[O:3])[H:8])([C@@:5]1([H:11])[C:4]([H:9])([H:10])[O:6]1)[H:7],"InChI=1S/C3H5NO2/c4-3-6-2-1-5/h1,3-4H,2H2/b4-3+","InChI=1S/C3H5NO2/c5-2-4-3-1-6-3/h2-3H,1H2,(H,4,5)/t3-/m1/s1",34.96208,6.54716,
1745,[N:1](=[C:2](/[O:3][C:4]([C:5](=[O:6])[H:11])([H:9])[H:10])[H:8])\[H:7],[N:1](=[C:2](/[O:3][C:4]([C:5][O:6][H:11])([H:9])[H:10])[H:8])\[H:7],"InChI=1S/C3H5NO2/c4-3-6-2-1-5/h1,3-4H,2H2/b4-3+","InChI=1S/C3H5NO2/c4-3-6-2-1-5/h3-5H,2H2/b4-3+",81.55996999999999,54.98526,
1746,[N:1](=[C:2](/[O:3][C:4]([C:5](=[O:6])[H:11])([H:9])[H:10])[H:8])\[H:7],[N:1]([C:2](=[O:3])[H:8])([C:5]([C:4]([H:9])([H:10])[H:11])=[O:6])[H:7],"InChI=1S/C3H5NO2/c4-3-6-2-1-5/h1,3-4H,2H2/b4-3+","InChI=1S/C3H5NO2/c1-3(6)4-2-5/h2H,1H3,(H,4,5,6)",43.09382,-35.12839,
1747,[N:1](=[C:2](/[O:3][C:4]([C:5](=[O:6])[H:11])([H:9])[H:10])[H:8])\[H:7],[N:1]([C-:2]=[O+:3][C:4]([C:5](=[O:6])[H:11])([H:9])[H:10])([H:7])[H:8],"InChI=1S/C3H5NO2/c4-3-6-2-1-5/h1,3-4H,2H2/b4-3+","InChI=1S/C3H5NO2/c4-3-6-2-1-5/h1H,2,4H2",78.42363,32.68051,
1748,[N:1](=[C:2](/[O:3][C:4]([C:5](=[O:6])[H:11])([H:9])[H:10])[H:8])\[H:7],[N:1]([C:2](=[O+:3][C:4](=[C:5]([O-:6])[H:11])[H:9])[H:8])([H:7])[H:10],"InChI=1S/C3H5NO2/c4-3-6-2-1-5/h1,3-4H,2H2/b4-3+","InChI=1S/C3H5NO2/c4-3-6-2-1-5/h1-3H,4H2",34.03707,30.130940000000002,
1749,[N:1](=[C:2](/[O:3][C:4]([C:5](=[O:6])[H:11])([H:9])[H:10])[H:8])\[H:7],[N:1](=[C:2]([H:8])[H:10])[H:7].[O:3]=[C:4]([C:5](=[O:6])[H:11])[H:9],"InChI=1S/C3H5NO2/c4-3-6-2-1-5/h1,3-4H,2H2/b4-3+","InChI=1S/C2H2O2.CH3N/c3-1-2-4;1-2/h1-2H;2H,1H2",74.23745,24.126920000000002,
1750,[N:1](=[C:2](/[O:3][C:4]([C:5](=[O:6])[H:11])([H:9])[H:10])[H:8])\[H:7],[N:1](=[C:2](/[O:3]/[C:4](=[C:5](/[O:6][H:10])[H:11])[H:9])[H:8])\[H:7],"InChI=1S/C3H5NO2/c4-3-6-2-1-5/h1,3-4H,2H2/b4-3+","InChI=1S/C3H5NO2/c4-3-6-2-1-5/h1-5H/b2-1+,4-3+",63.080290000000005,6.63744,ketoenol
1751,[N:1](=[C:2](/[O:3][C:4]([C:5](=[O:6])[H:11])([H:9])[H:10])[H:8])\[H:7],[C:4]1([H:9])([H:10])[C:5]([H:8])([H:11])[O:6]1.[N:1](=[C:2]=[O:3])[H:7],"InChI=1S/C3H5NO2/c4-3-6-2-1-5/h1,3-4H,2H2/b4-3+",InChI=1S/C2H4O.CHNO/c1-2-3-1;2-1-3/h1-2H2;2H,65.84316,10.96809,
1752,[N:1](=[C:2](/[O:3][C:4]([C:5](=[O:6])[H:11])([H:9])[H:10])[H:8])\[H:7],[C:4](=[C:5]([O:6][H:8])[H:11])([H:9])[H:10].[N:1](=[C:2]=[O:3])[H:7],"InChI=1S/C3H5NO2/c4-3-6-2-1-5/h1,3-4H,2H2/b4-3+","InChI=1S/C2H4O.CHNO/c1-2-3;2-1-3/h2-3H,1H2;2H",48.51424,-9.7231,Retroene
1753,[N:1](=[C:2](/[O:3][C:4]([C:5](=[O:6])[H:11])([H:9])[H:10])[H:8])\[H:7],[N:1]1([H:7])[C@@:2]([O:6][C:5](=[C:4]([H:9])[H:10])[H:11])([H:8])[O:3]1,"InChI=1S/C3H5NO2/c4-3-6-2-1-5/h1,3-4H,2H2/b4-3+","InChI=1S/C3H5NO2/c1-2-5-3-4-6-3/h2-4H,1H2/t3-/m1/s1",86.5318,60.18448000000001,
1754,[N:1](=[C:2](/[O:3][C:4]([C:5](=[O:6])[H:11])([H:9])[H:10])[H:8])\[H:7],[N:1]1([H:7])[C@@:2]2([H:8])[O:3][C:4]([H:9])([H:10])[C@:5]1([H:11])[O:6]2,"InChI=1S/C3H5NO2/c4-3-6-2-1-5/h1,3-4H,2H2/b4-3+","InChI=1S/C3H5NO2/c1-2-4-3(5-1)6-2/h2-4H,1H2/t2-,3-/m0/s1",61.545590000000004,34.56301,
1755,[N:1](=[C:2](/[O:3][C:4]([C:5](=[O:6])[H:11])([H:9])[H:10])[H:8])\[H:7],[N:1]1([H:7])[C:2]([H:8])([H:11])[O:3][C:4]([H:9])([H:10])[C:5]1=[O:6],"InChI=1S/C3H5NO2/c4-3-6-2-1-5/h1,3-4H,2H2/b4-3+","InChI=1S/C3H5NO2/c5-3-1-6-2-4-3/h1-2H2,(H,4,5)",58.08075,-14.143889999999999,
1756,[N:1](=[C:2](/[O:3][C:4]([C:5](=[O:6])[H:11])([H:9])[H:10])[H:8])\[H:7],[N:1]([C:2](=[O+:3][C-:4]([H:9])[H:10])[H:8])([C:5](=[O:6])[H:11])[H:7],"InChI=1S/C3H5NO2/c4-3-6-2-1-5/h1,3-4H,2H2/b4-3+","InChI=1S/C3H5NO2/c1-6-3-4-2-5/h2-3H,1H2,(H,4,5)",46.71683,43.75392,
1757,[N:1](=[C:2](/[O:3][C:4]([C:5](=[O:6])[H:11])([H:9])[H:10])[H:8])\[H:7],[N:1]1([H:7])[C:2]([H:8])=[O+:3][C:4]([H:9])([H:10])[C-:5]1[O:6][H:11],"InChI=1S/C3H5NO2/c4-3-6-2-1-5/h1,3-4H,2H2/b4-3+","InChI=1S/C3H5NO2/c5-3-1-6-2-4-3/h2,4-5H,1H2",81.13150999999999,47.98527,
1758,[N:1](=[C:2](/[O:3][C:4]([C:5](=[O:6])[H:11])([H:9])[H:10])[H:8])\[H:7],[C:5](=[O:6])([H:7])[H:11].[N:1]#[C:2][H:8].[O:3]=[C:4]([H:9])[H:10],"InChI=1S/C3H5NO2/c4-3-6-2-1-5/h1,3-4H,2H2/b4-3+",InChI=1S/CHN.2CH2O/c3*1-2/h1H;2*1H2,65.59187,37.16834,
1759,[N:1](=[C:2](/[O:3][C:4]([C:5](=[O:6])[H:11])([H:9])[H:10])[H:8])\[H:7],[N:1]([C:2](=[O:3])[H:8])([O:6][C:5](=[C:4]([H:9])[H:10])[H:11])[H:7],"InChI=1S/C3H5NO2/c4-3-6-2-1-5/h1,3-4H,2H2/b4-3+","InChI=1S/C3H5NO2/c1-2-6-4-3-5/h2-3H,1H2,(H,4,5)",56.615159999999996,36.07714,
1760,[N:1](=[C:2](/[O:3][C:4]([C:5](=[O:6])[H:11])([H:9])[H:10])[H:8])\[H:7],[N:1](=[C:2](/[O:6][C@@:5]1([H:11])[O:3][C:4]1([H:9])[H:10])[H:8])\[H:7],"InChI=1S/C3H5NO2/c4-3-6-2-1-5/h1,3-4H,2H2/b4-3+","InChI=1S/C3H5NO2/c4-2-6-3-1-5-3/h2-4H,1H2/b4-2+/t3-/m1/s1",63.03804,23.05145,
1761,[N:1](=[C:2](/[O:3][C:4]([C:5](=[O:6])[H:11])([H:9])[H:10])[H:8])\[H:7],[N:1]12[C:2]([H:7])([H:8])[O:3][C:4]([H:9])([H:10])[C@@:5]1([H:11])[O:6]2,"InChI=1S/C3H5NO2/c4-3-6-2-1-5/h1,3-4H,2H2/b4-3+","InChI=1S/C3H5NO2/c1-3-4(6-3)2-5-1/h3H,1-2H2/t3-,4?/m1/s1",75.73007,51.3353,
1762,[N:1](=[C:2](/[O:3][C:4]([C:5](=[O:6])[H:11])([H:9])[H:10])[H:8])\[H:7],[N:1](=[C:2])[H:7].[O:3]([C:4]([C:5](=[O:6])[H:11])([H:9])[H:10])[H:8],"InChI=1S/C3H5NO2/c4-3-6-2-1-5/h1,3-4H,2H2/b4-3+","InChI=1S/C2H4O2.CHN/c3-1-2-4;1-2/h1,4H,2H2;2H",65.81515,35.83586,
1763,[N:1](=[C:2](/[O:3][C:4]([C:5](=[O:6])[H:11])([H:9])[H:10])[H:8])\[H:7],[N:1](=[C:5](/[C:4]([O:3][C:2](=[O:6])[H:8])([H:9])[H:10])[H:11])\[H:7],"InChI=1S/C3H5NO2/c4-3-6-2-1-5/h1,3-4H,2H2/b4-3+","InChI=1S/C3H5NO2/c4-1-2-6-3-5/h1,3-4H,2H2/b4-1+",48.59702,-6.52069,
1764,[N:1](=[C:2](/[O:3][C:4]([C:5](=[O:6])[H:11])([H:9])[H:10])[H:8])\[H:7],[N:1]([C:2][H:8])([C:4]([O:3][C:5](=[O:6])[H:11])([H:9])[H:10])[H:7],"InChI=1S/C3H5NO2/c4-3-6-2-1-5/h1,3-4H,2H2/b4-3+","InChI=1S/C3H5NO2/c1-4-2-6-3-5/h1,3-4H,2H2",90.7103,43.864909999999995,
1765,[N:1](=[C:2](/[O:3][C:4]([C:5](=[O:6])[H:11])([H:9])[H:10])[H:8])\[H:7],[N:1]#[C:2][O:3][C:4]([C:5]([O:6][H:7])([H:8])[H:11])([H:9])[H:10],"InChI=1S/C3H5NO2/c4-3-6-2-1-5/h1,3-4H,2H2/b4-3+","InChI=1S/C3H5NO2/c4-3-6-2-1-5/h5H,1-2H2",77.40911,9.64149,
1766,[C:1]([C:2](=[O:3])[C:4]1([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]([C:2](=[O:3])[C:6]([C:4](=[C:5]([H:11])[H:12])[H:10])([H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-4(6)5-2-3-5/h5H,2-3H2,1H3","InChI=1S/C5H8O/c1-3-4-5(2)6/h3H,1,4H2,2H3",74.97581,-1.24674,
1767,[C:1]([C:2](=[O:3])[C:4]1([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])([H:7])([H:8])[H:9],[C-:2]#[O+:3].[C:1]([C:6]([C:4](=[C:5]([H:11])[H:12])[H:10])([H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-4(6)5-2-3-5/h5H,2-3H2,1H3","InChI=1S/C4H8.CO/c1-3-4-2;1-2/h3H,1,4H2,2H3;",93.37109,2.89911,
1768,[C:1]([C:2](=[O:3])[C:4]1([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])([H:7])([H:8])[H:9],[C:1](=[C:2]([O:3][H:8])[C:4]1([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])([H:7])[H:9],"InChI=1S/C5H8O/c1-4(6)5-2-3-5/h5H,2-3H2,1H3","InChI=1S/C5H8O/c1-4(6)5-2-3-5/h5-6H,1-3H2",62.221619999999994,11.55675,ketoenol
1769,[C:1]([C:2](=[O:3])[C:4]1([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]([C:2]([O:3][H:10])=[C:4]1[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-4(6)5-2-3-5/h5H,2-3H2,1H3","InChI=1S/C5H8O/c1-4(6)5-2-3-5/h6H,2-3H2,1H3",65.67003000000001,18.14936,ketoenol
1770,[C:1]([C:2](=[O:3])[C:4]1([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]([O+:3]=[C-:2][C:4]1([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-4(6)5-2-3-5/h5H,2-3H2,1H3","InChI=1S/C5H8O/c1-6-4-5-2-3-5/h5H,2-3H2,1H3",108.16863000000001,69.65590999999999,
1771,[C:1]([C:2](=[O:3])[C:4]1([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]([C:2](=[O:3])[H:8])([C:4]1([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])([H:7])[H:9],"InChI=1S/C5H8O/c1-4(6)5-2-3-5/h5H,2-3H2,1H3","InChI=1S/C5H8O/c6-4-3-5-1-2-5/h4-5H,1-3H2",87.20998,13.35245,
1772,[C:1]([C:2](=[O:3])[C:4]1([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:10].[C:2](=[O:3])=[C:4]1[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14],"InChI=1S/C5H8O/c1-4(6)5-2-3-5/h5H,2-3H2,1H3",InChI=1S/C4H4O.CH4/c5-3-4-1-2-4;/h1-2H2;1H4,87.87666999999999,29.24878,
1773,[C:1]([C:2](=[O:3])[C:4]1([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]([C:2](=[O:3])[H:11])([H:7])([H:8])[H:9].[C:4]1([H:10])=[C:5]([H:12])[C:6]1([H:13])[H:14],"InChI=1S/C5H8O/c1-4(6)5-2-3-5/h5H,2-3H2,1H3","InChI=1S/C3H4.C2H4O/c1-2-3-1;1-2-3/h1-2H,3H2;2H,1H3",90.69801,56.28161,
1774,[C:1]([C:2](=[O:3])[C:4]1([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]([C:2]([O-:3])=[C+:4][C:5]([C:6]([H:10])([H:13])[H:14])([H:11])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-4(6)5-2-3-5/h5H,2-3H2,1H3","InChI=1S/C5H8O/c1-3-4-5(2)6/h3H2,1-2H3",63.845209999999994,58.09695,
1775,[C:1]([C:2](=[O:3])[C:4]1([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])([H:7])([H:8])[H:9],[C:1](=[C:2]=[O:3])([H:7])[H:9].[C:4]1([H:8])([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14],"InChI=1S/C5H8O/c1-4(6)5-2-3-5/h5H,2-3H2,1H3",InChI=1S/C3H6.C2H2O/c1-2-3-1;1-2-3/h1-3H2;1H2,78.21547,27.40098,
1776,[C:1]([C:2](=[O:3])[C:4]1([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]([C:4](=[C:2]=[O:3])[H:10])([H:7])([H:8])[H:9].[C:5](=[C:6]([H:13])[H:14])([H:11])[H:12],"InChI=1S/C5H8O/c1-4(6)5-2-3-5/h5H,2-3H2,1H3","InChI=1S/C3H4O.C2H4/c1-2-3-4;1-2/h2H,1H3;1-2H2",74.97059,23.11536,
1777,[C:1]([C:2](=[O:3])[C:4]1([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]([C:2]([O-:3])=[C+:4][H:10])([H:7])([H:8])[H:9].[C:5](=[C:6]([H:13])[H:14])([H:11])[H:12],"InChI=1S/C5H8O/c1-4(6)5-2-3-5/h5H,2-3H2,1H3","InChI=1S/C3H4O.C2H4/c1-3(2)4;1-2/h1H,2H3;1-2H2",87.18972,89.36816,
1778,[C:1]([C:2](=[O:3])[C:4]1([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:13].[C:2](#[O+:3])[C@@:4]1([H:10])[C:5]([H:11])([H:12])[C-:6]1[H:14],"InChI=1S/C5H8O/c1-4(6)5-2-3-5/h5H,2-3H2,1H3","InChI=1S/C4H4O.CH4/c5-3-4-1-2-4;/h1,4H,2H2;1H4/t4-;/m1./s1",115.9854,68.55006999999999,
1779,[C:1]([C:2](=[O:3])[C:4]1([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]([C:2]1=[C:4]([H:10])[C:6]([H:13])([H:14])[C:5]([H:11])([H:12])[O:3]1)([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-4(6)5-2-3-5/h5H,2-3H2,1H3","InChI=1S/C5H8O/c1-5-3-2-4-6-5/h3H,2,4H2,1H3",46.67512,0.13864,ketoenol
1780,[C:1]([C:2](=[O:3])[C:4]1([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]([C@:2]1([H:10])[O:3][C:4]12[C:5]([H:11])([H:12])[C:6]2([H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-4(6)5-2-3-5/h5H,2-3H2,1H3","InChI=1S/C5H8O/c1-4-5(6-4)2-3-5/h4H,2-3H2,1H3/t4-/m0/s1",88.34965,35.76485,
1781,[C:1]([C:2](=[O:3])[C:4]1([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]([C+:2]=[C:4]([O-:3])[H:10])([H:7])([H:8])[H:9].[C:5](=[C:6]([H:13])[H:14])([H:11])[H:12],"InChI=1S/C5H8O/c1-4(6)5-2-3-5/h5H,2-3H2,1H3","InChI=1S/C3H4O.C2H4/c1-2-3-4;1-2/h3H,1H3;1-2H2",90.50835,89.79153000000001,
1782,[C:1]([C:2](=[O:3])[C:4]1([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]([C@@:4]1([H:10])[C:2](=[O:3])[C:6]([H:13])([H:14])[C:5]1([H:11])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-4(6)5-2-3-5/h5H,2-3H2,1H3","InChI=1S/C5H8O/c1-4-2-3-5(4)6/h4H,2-3H2,1H3/t4-/m1/s1",89.73459,-0.20123,
1783,[C:1]([C@@:2]1([H:10])[C@@:3]2([H:11])[C:4]([H:12])([H:13])[C@:5]1([H:14])[O:6]2)([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C@:3]([C:4]([H:12])([H:13])[H:14])([H:11])[O+:6]=[C-:5]1)([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-3-4-2-5(3)6-4/h3-5H,2H2,1H3/t3-,4+,5-","InChI=1S/C5H8O/c1-4-3-6-5(4)2/h4-5H,1-2H3/t4-,5-/m1/s1",55.27118000000001,8.75469,
1784,[C:1]([C@@:2]1([H:10])[C@@:3]2([H:11])[C:4]([H:12])([H:13])[C@:5]1([H:14])[O:6]2)([H:7])([H:8])[H:9],[C:1](/[C:2](=[C:3](\[C:4]([C:5](=[O:6])[H:14])([H:12])[H:13])[H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-3-4-2-5(3)6-4/h3-5H,2H2,1H3/t3-,4+,5-","InChI=1S/C5H8O/c1-2-3-4-5-6/h2-3,5H,4H2,1H3/b3-2-",31.69905,-50.64484,
1785,[C:1]([C@@:2]1([H:10])[C@@:3]2([H:11])[C:4]([H:12])([H:13])[C@:5]1([H:14])[O:6]2)([H:7])([H:8])[H:9],[C:1]([C@:2]1([H:10])[C@@:5]([C:4]([C:3][H:11])([H:12])[H:13])([H:14])[O:6]1)([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-3-4-2-5(3)6-4/h3-5H,2H2,1H3/t3-,4+,5-","InChI=1S/C5H8O/c1-3-5-4(2)6-5/h1,4-5H,3H2,2H3/t4-,5+/m1/s1",73.43734,55.71815,
1786,[C:1]([C@@:2]1([H:10])[C@@:3]2([H:11])[C:4]([H:12])([H:13])[C@:5]1([H:14])[O:6]2)([H:7])([H:8])[H:9],[C:1]([C:2]1=[C:5]([H:14])[C:4]([H:12])([H:13])[C@:3]1([O:6][H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-3-4-2-5(3)6-4/h3-5H,2H2,1H3/t3-,4+,5-","InChI=1S/C5H8O/c1-4-2-3-5(4)6/h2,5-6H,3H2,1H3/t5-/m1/s1",63.26087,-36.5387,
1787,[C:1]([C@@:2]1([H:10])[C@@:3]2([H:11])[C:4]([H:12])([H:13])[C@:5]1([H:14])[O:6]2)([H:7])([H:8])[H:9],[C:1](=[C:2]([C@@:5]12[C@@:3]([H:11])([C:4]1([H:12])[H:13])[O:6]2)[H:10])([H:8])[H:9].[H:7][H:14],"InChI=1S/C5H8O/c1-3-4-2-5(3)6-4/h3-5H,2H2,1H3/t3-,4+,5-","InChI=1S/C5H6O.H2/c1-2-5-3-4(5)6-5;/h2,4H,1,3H2;1H/t4-,5+;/m1./s1",83.75265999999999,27.33168,
1788,[C:1]([C@@:2]1([H:10])[C@@:3]2([H:11])[C:4]([H:12])([H:13])[C@:5]1([H:14])[O:6]2)([H:7])([H:8])[H:9],[C:1]([C:2]([C@:5]1([H:14])[C:4]([H:12])([H:13])[C-:3]=[O+:6]1)([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-3-4-2-5(3)6-4/h3-5H,2H2,1H3/t3-,4+,5-","InChI=1S/C5H8O/c1-2-5-3-4-6-5/h5H,2-3H2,1H3/t5-/m1/s1",52.19262,9.81359,
1789,[C:1]([C@@:2]1([H:10])[C@@:3]2([H:11])[C:4]([H:12])([H:13])[C@:5]1([H:14])[O:6]2)([H:7])([H:8])[H:9],[C:1]([C@@:2]([C:3][H:11])([C@:5]1([H:14])[C:4]([H:12])([H:13])[O:6]1)[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-3-4-2-5(3)6-4/h3-5H,2H2,1H3/t3-,4+,5-","InChI=1S/C5H8O/c1-4(2)5-3-6-5/h1,4-5H,3H2,2H3/t4-,5+/m1/s1",76.48479,56.08786,
1790,[C:1]([C@@:2]1([H:10])[C@@:3]2([H:11])[C:4]([H:12])([H:13])[C@:5]1([H:14])[O:6]2)([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C@@:3]([O:6][H:13])([H:11])[C:4]([H:12])=[C:5]1[H:14])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-3-4-2-5(3)6-4/h3-5H,2H2,1H3/t3-,4+,5-","InChI=1S/C5H8O/c1-4-2-3-5(4)6/h2-6H,1H3/t4-,5-/m1/s1",63.66392,-32.714659999999995,
1791,[C:1]([C@@:2]1([H:10])[C@@:3]2([H:11])[C:4]([H:12])([H:13])[C@:5]1([H:14])[O:6]2)([H:7])([H:8])[H:9],[C:1]([C@@:2]([C:3](=[C:4]([H:12])[H:13])[H:11])([C:5](=[O:6])[H:14])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-3-4-2-5(3)6-4/h3-5H,2H2,1H3/t3-,4+,5-","InChI=1S/C5H8O/c1-3-5(2)4-6/h3-5H,1H2,2H3/t5-/m0/s1",30.890009999999997,-48.67852,
1792,[C:1]([C@@:2]1([H:10])[C@@:3]2([H:11])[C:4]([H:12])([H:13])[C@:5]1([H:14])[O:6]2)([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:10].[C:2]1[C@:3]2([H:11])[C:4]([H:12])([H:13])[C@@:5]1([H:14])[O:6]2,"InChI=1S/C5H8O/c1-3-4-2-5(3)6-4/h3-5H,2H2,1H3/t3-,4+,5-","InChI=1S/C4H4O.CH4/c1-3-2-4(1)5-3;/h3-4H,1H2;1H4/t3-,4+;",83.09434,70.45806999999999,
1793,[O:1]([C:2]1([C:5]#[N:6])[C:3]([H:8])([H:9])[C:4]1([H:10])[H:11])[H:7],[O:1]([C:5]1=[N:6][C:2]12[C:3]([H:8])([H:9])[C:4]2([H:10])[H:11])[H:7],"InChI=1S/C4H5NO/c5-3-4(6)1-2-4/h6H,1-2H2","InChI=1S/C4H5NO/c6-3-4(5-3)1-2-4/h1-2H2,(H,5,6)",79.78402,35.86486,
1794,[O:1]([C:2]1([C:5]#[N:6])[C:3]([H:8])([H:9])[C:4]1([H:10])[H:11])[H:7],[O:1]([C:2](=[C:3]([H:8])[H:9])[C:4]([C:5]#[N:6])([H:10])[H:11])[H:7],"InChI=1S/C4H5NO/c5-3-4(6)1-2-4/h6H,1-2H2","InChI=1S/C4H5NO/c1-4(6)2-3-5/h6H,1-2H2",83.48501,-12.755419999999999,
1795,[O:1]([C:2]1([C:5]#[N:6])[C:3]([H:8])([H:9])[C:4]1([H:10])[H:11])[H:7],[O:1]([N:6]=[C:5]=[C:2]1[C:3]([H:8])([H:9])[C:4]1([H:10])[H:11])[H:7],"InChI=1S/C4H5NO/c5-3-4(6)1-2-4/h6H,1-2H2","InChI=1S/C4H5NO/c6-5-3-4-1-2-4/h6H,1-2H2",96.25032,57.30863000000001,
1796,[O:1]([C:2]1([C:5]#[N:6])[C:3]([H:8])([H:9])[C:4]1([H:10])[H:11])[H:7],[O:1]([C:4]([C:3]([C+:2]=[C:5]=[N-:6])([H:8])[H:9])([H:10])[H:11])[H:7],"InChI=1S/C4H5NO/c5-3-4(6)1-2-4/h6H,1-2H2","InChI=1S/C4H5NO/c5-3-1-2-4-6/h6H,2,4H2",74.95391,63.2171,
1797,[O:1]([C:2]1([C:5]#[N:6])[C:3]([H:8])([H:9])[C:4]1([H:10])[H:11])[H:7],[O:1]([C:2]1([N+:6]#[C-:5])[C:3]([H:8])([H:9])[C:4]1([H:10])[H:11])[H:7],"InChI=1S/C4H5NO/c5-3-4(6)1-2-4/h6H,1-2H2","InChI=1S/C4H5NO/c1-5-4(6)2-3-4/h6H,2-3H2",54.8027,23.7912,
1798,[O:1]([C:2]1([C:5]#[N:6])[C:3]([H:8])([H:9])[C:4]1([H:10])[H:11])[H:7],[C:3](=[C:4]([H:10])[H:11])([H:8])[H:9].[O:1]=[C:2]([C:5]#[N:6])[H:7],"InChI=1S/C4H5NO/c5-3-4(6)1-2-4/h6H,1-2H2",InChI=1S/C2HNO.C2H4/c3-1-2-4;1-2/h2H;1-2H2,79.28277,16.593970000000002,
1799,[O:1]([C:2]1([C:5]#[N:6])[C:3]([H:8])([H:9])[C:4]1([H:10])[H:11])[H:7],[O:1](/[C:2](=[C:3](\[C:4]([H:8])([H:10])[H:11])[H:9])[C:5]#[N:6])[H:7],"InChI=1S/C4H5NO/c5-3-4(6)1-2-4/h6H,1-2H2","InChI=1S/C4H5NO/c1-2-4(6)3-5/h2,6H,1H3/b4-2-",66.20294,-13.356020000000001,
1800,[O:1]([C:2]1([C:5]#[N:6])[C:3]([H:8])([H:9])[C:4]1([H:10])[H:11])[H:7],[C:2]1([C:5]#[N:6])=[C:3]([H:9])[C:4]1([H:10])[H:11].[O:1]([H:7])[H:8],"InChI=1S/C4H5NO/c5-3-4(6)1-2-4/h6H,1-2H2","InChI=1S/C4H3N.H2O/c5-3-4-1-2-4;/h1H,2H2;1H2",73.12959000000001,33.662209999999995,
1801,[O:1]([C:2]1([C:5]#[N:6])[C:3]([H:8])([H:9])[C:4]1([H:10])[H:11])[H:7],[O:1]([C:2][C:3]([C:4]([C:5]#[N:6])([H:10])[H:11])([H:8])[H:9])[H:7],"InChI=1S/C4H5NO/c5-3-4(6)1-2-4/h6H,1-2H2","InChI=1S/C4H5NO/c5-3-1-2-4-6/h6H,1-2H2",47.86602,39.65148,
1802,[O:1]([C:2]1([C:5]#[N:6])[C:3]([H:8])([H:9])[C:4]1([H:10])[H:11])[H:7],[O:1]([C:2]1=[C:5]=[N:6][C:3]([H:8])([H:9])[C:4]1([H:10])[H:11])[H:7],"InChI=1S/C4H5NO/c5-3-4(6)1-2-4/h6H,1-2H2","InChI=1S/C4H5NO/c6-4-1-2-5-3-4/h6H,1-2H2",70.76250999999999,48.293890000000005,
1803,[O:1]([C:2]1([C:5]#[N:6])[C:3]([H:8])([H:9])[C:4]1([H:10])[H:11])[H:7],[O:1]([C@:2]1([C+:5]=[N:6][H:8])[C-:3]([H:9])[C:4]1([H:10])[H:11])[H:7],"InChI=1S/C4H5NO/c5-3-4(6)1-2-4/h6H,1-2H2","InChI=1S/C4H5NO/c5-3-4(6)1-2-4/h1,5-6H,2H2/t4-/m1/s1",115.14471,72.2762,
1804,[O:1]([C:2]1([C:5]#[N:6])[C:3]([H:8])([H:9])[C:4]1([H:10])[H:11])[H:7],[C:5]=[N:6][H:7].[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]1([H:10])[H:11],"InChI=1S/C4H5NO/c5-3-4(6)1-2-4/h6H,1-2H2",InChI=1S/C3H4O.CHN/c4-3-1-2-3;1-2/h1-2H2;2H,66.61463,46.635740000000006,
1805,[O:1]([C:2]1([C:5]#[N:6])[C:3]([H:8])([H:9])[C:4]1([H:10])[H:11])[H:7],[C:4]([H:10])[H:11].[O:1]([C:2](=[C:3]([H:8])[H:9])[C:5]#[N:6])[H:7],"InChI=1S/C4H5NO/c5-3-4(6)1-2-4/h6H,1-2H2","InChI=1S/C3H3NO.CH2/c1-3(5)2-4;/h5H,1H2;1H2",97.17723000000001,107.40167,1+2_Cycloaddition
1806,[O:1]([C:2]1([C:5]#[N:6])[C:3]([H:8])([H:9])[C:4]1([H:10])[H:11])[H:7],[O:1]([C@:2]([C:3][H:8])([C:4]([H:9])([H:10])[H:11])[C:5]#[N:6])[H:7],"InChI=1S/C4H5NO/c5-3-4(6)1-2-4/h6H,1-2H2","InChI=1S/C4H5NO/c1-4(2,6)3-5/h1,6H,2H3/t4-/m1/s1",70.53636,77.31736,
1807,[C:1]([C:2](=[O:3])[C:4]([C:5](=[O:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](=[O:3])/[C:4](=[C:5](/[O:6][H:11])[H:12])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H6O2/c1-4(6)2-3-5/h3H,2H2,1H3","InChI=1S/C4H6O2/c1-4(6)2-3-5/h2-3,5H,1H3/b3-2+",54.22886,-1.95564,ketoenol
1808,[C:1]([C:2](=[O:3])[C:4]([C:5](=[O:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C-:2]#[O+:3].[C:1]([O:6][C:5](=[C:4]([H:10])[H:11])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H6O2/c1-4(6)2-3-5/h3H,2H2,1H3","InChI=1S/C3H6O.CO/c1-3-4-2;1-2/h3H,1H2,2H3;",81.4993,21.2613,
1809,[C:1]([C:2](=[O:3])[C:4]([C:5](=[O:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:11].[C:2](=[O:3])=[C:4]([C:5](=[O:6])[H:12])[H:10],"InChI=1S/C4H6O2/c1-4(6)2-3-5/h3H,2H2,1H3",InChI=1S/C3H2O2.CH4/c4-2-1-3-5;/h1-2H;1H4,73.79204,9.9445,
1810,[C:1]([C:2](=[O:3])[C:4]([C:5](=[O:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]12[O:3][C:5]([H:12])([C:4]1([H:10])[H:11])[O:6]2)([H:7])([H:8])[H:9],"InChI=1S/C4H6O2/c1-4(6)2-3-5/h3H,2H2,1H3","InChI=1S/C4H6O2/c1-4-2-3(5-4)6-4/h3H,2H2,1H3",70.21332,63.457730000000005,
1811,[C:1]([C:2](=[O:3])[C:4]([C:5](=[O:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](/[C:2]([O:3][H:11])=[C:4](/[C:5](=[O:6])[H:12])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H6O2/c1-4(6)2-3-5/h3H,2H2,1H3","InChI=1S/C4H6O2/c1-4(6)2-3-5/h2-3,6H,1H3/b4-2-",50.13408,-1.2151100000000001,ketoenol
1812,[C:1]([C:2](=[O:3])[C:4]([C:5](=[O:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](=[O:3])[C:4]([C:5][O:6][H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H6O2/c1-4(6)2-3-5/h3H,2H2,1H3","InChI=1S/C4H6O2/c1-4(6)2-3-5/h5H,2H2,1H3",80.6043,55.80826999999999,
1813,[C:1]([C:2](=[O:3])[C:4]([C:5](=[O:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]1[O:3][C@:5]([O:6][H:7])([H:12])[C:4]1([H:10])[H:11])([H:8])[H:9],"InChI=1S/C4H6O2/c1-4(6)2-3-5/h3H,2H2,1H3","InChI=1S/C4H6O2/c1-3-2-4(5)6-3/h4-5H,1-2H2/t4-/m1/s1",58.337630000000004,21.27814,
1814,[C:1]([C:2](=[O:3])[C:4]([C:5](=[O:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C@:2]1([C:5](=[O:6])[H:12])[O:3][C:4]1([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H6O2/c1-4(6)2-3-5/h3H,2H2,1H3","InChI=1S/C4H6O2/c1-4(2-5)3-6-4/h2H,3H2,1H3/t4-/m1/s1",93.85248,23.809070000000002,
1815,[C:1]([C:2](=[O:3])[C:4]([C:5](=[O:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](=[O:3])[H:12])([H:7])([H:8])[H:9].[C:4](=[C:5]=[O:6])([H:10])[H:11],"InChI=1S/C4H6O2/c1-4(6)2-3-5/h3H,2H2,1H3","InChI=1S/C2H4O.C2H2O/c2*1-2-3/h2H,1H3;1H2",51.50535,20.41601,
1816,[C:1]([C:2](=[O:3])[C:4]([C:5](=[O:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]=[O:3])([H:8])[H:9].[C:4](=[C:5]([O:6][H:7])[H:12])([H:10])[H:11],"InChI=1S/C4H6O2/c1-4(6)2-3-5/h3H,2H2,1H3","InChI=1S/C2H4O.C2H2O/c2*1-2-3/h2-3H,1H2;1H2",43.21535,27.246579999999998,Retroene
1817,[C:1]([C:2](=[O:3])[C:4]([C:5](=[O:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]=[O:3])([H:8])[H:9].[C:4](=[C:5]=[O:6])([H:10])[H:11].[H:7][H:12],"InChI=1S/C4H6O2/c1-4(6)2-3-5/h3H,2H2,1H3",InChI=1S/2C2H2O.H2/c2*1-2-3;/h2*1H2;1H,73.45748,46.08918,
1818,[C:1]([C:2](=[O:3])[C:4]([C:5](=[O:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]1([H:8])([H:9])[C@:2]([C:4]([C:5](=[O:6])[H:12])([H:10])[H:11])([H:7])[O:3]1,"InChI=1S/C4H6O2/c1-4(6)2-3-5/h3H,2H2,1H3","InChI=1S/C4H6O2/c5-2-1-4-3-6-4/h2,4H,1,3H2/t4-/m1/s1",89.07939,29.98191,
1819,[C:1]([C:2](=[O:3])[C:4]([C:5](=[O:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](=[O:3])[H:7])([C:4]([C:5](=[O:6])[H:12])([H:10])[H:11])([H:8])[H:9],"InChI=1S/C4H6O2/c1-4(6)2-3-5/h3H,2H2,1H3","InChI=1S/C4H6O2/c5-3-1-2-4-6/h3-4H,1-2H2",81.88466,8.50407,
1820,[C:1]([C:2](=[O:3])[C:4]([C:5](=[O:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]([O:3][H:7])[C:4]([C:5](=[O:6])[H:12])([H:10])[H:11])([H:8])[H:9],"InChI=1S/C4H6O2/c1-4(6)2-3-5/h3H,2H2,1H3","InChI=1S/C4H6O2/c1-4(6)2-3-5/h3,6H,1-2H2",63.4245,9.09527,ketoenol
1821,[C:1]([C:2](=[O:3])[C:4]([C:5](=[O:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C-:2]=[O+:3][C@:5]1([H:12])[C:4]([H:10])([H:11])[O:6]1)([H:7])([H:8])[H:9],"InChI=1S/C4H6O2/c1-4(6)2-3-5/h3H,2H2,1H3","InChI=1S/C4H6O2/c1-2-5-4-3-6-4/h4H,3H2,1H3/t4-/m0/s1",103.18064,87.99316,
1822,[C:1]([C:2](=[O:3])[C:4]([C:5](=[O:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C-:5]#[O+:6].[C:1]([C:2]([O:3][H:12])=[C:4]([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H6O2/c1-4(6)2-3-5/h3H,2H2,1H3","InChI=1S/C3H6O.CO/c1-3(2)4;1-2/h4H,1H2,2H3;",34.44597,5.57534,
1823,[C:1]([C:2](=[O:3])[C:4]([C:5](=[O:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](=[O:3])[O:6][C:5](=[C:4]([H:10])[H:11])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H6O2/c1-4(6)2-3-5/h3H,2H2,1H3","InChI=1S/C4H6O2/c1-3-6-4(2)5/h3H,1H2,2H3",43.645990000000005,0.37995,ketoenol
1824,[C:1]([C:2](=[O:3])[C:4]([C:5](=[O:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([O:3][C:5](=[O:6])[H:12])=[C:4]([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H6O2/c1-4(6)2-3-5/h3H,2H2,1H3","InChI=1S/C4H6O2/c1-4(2)6-3-5/h3H,1H2,2H3",44.39239,2.11853,ketoenol
1825,[C:1]([C:2](=[O:3])[C:4]([C:5](=[O:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:4]([C:2](=[O:3])[H:11])([C:5](=[O:6])[H:12])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H6O2/c1-4(6)2-3-5/h3H,2H2,1H3","InChI=1S/C4H6O2/c1-4(2-5)3-6/h2-4H,1H3",75.79264,5.94373,
1826,[C:1]([C:2](=[O:3])[C:4]([C:5](=[O:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O+:3]=[C-:2][C:4]([C:5](=[O:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H6O2/c1-4(6)2-3-5/h3H,2H2,1H3","InChI=1S/C4H6O2/c1-6-4-2-3-5/h3H,2H2,1H3",107.4586,69.88911,
1827,[C:1]([C:2](=[O:3])[C:4]([C:5](=[O:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](=[O:3])[C@:5]1([H:12])[C:4]([H:10])([H:11])[O:6]1)([H:7])([H:8])[H:9],"InChI=1S/C4H6O2/c1-4(6)2-3-5/h3H,2H2,1H3","InChI=1S/C4H6O2/c1-3(5)4-2-6-4/h4H,2H2,1H3/t4-/m0/s1",96.64095,22.078310000000002,
1828,[C:1](#[C:2][C:3]([N:4]1[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])([H:8])[H:9])[H:7],[C:1]1([H:7])=[C:2]2[C:3]([H:8])([H:9])[N:4]12.[C:5](=[C:6]([H:12])[H:13])([H:10])[H:11],"InChI=1S/C5H7N/c1-2-3-6-4-5-6/h1H,3-5H2","InChI=1S/C3H3N.C2H4/c1-3-2-4(1)3;1-2/h1H,2H2;1-2H2",69.45776,53.557559999999995,
1829,[C:1](#[C:2][C:3]([N:4]1[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])([H:8])[H:9])[H:7],[C:1](=[C:2]=[C:3]([N:4]1[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])[H:8])([H:7])[H:9],"InChI=1S/C5H7N/c1-2-3-6-4-5-6/h1H,3-5H2","InChI=1S/C5H7N/c1-2-3-6-4-5-6/h3H,1,4-5H2",73.12921,-9.75657,
1830,[C:1](#[C:2][C:3]([N:4]1[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])([H:8])[H:9])[H:7],[C:1](/[C:2](=[C:3](\[N:4]1[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])[H:8])[H:9])[H:7],"InChI=1S/C5H7N/c1-2-3-6-4-5-6/h1H,3-5H2","InChI=1S/C5H7N/c1-2-3-6-4-5-6/h1-3H,4-5H2/b3-2-",54.72238,41.784890000000004,
1831,[C:1](#[C:2][C:3]([N:4]1[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])([H:8])[H:9])[H:7],[C:1](=[C:2]1[C:3]([H:8])([H:9])[N:4]2[C@@:5]1([H:10])[C:6]2([H:12])[H:13])([H:7])[H:11],"InChI=1S/C5H7N/c1-2-3-6-4-5-6/h1H,3-5H2","InChI=1S/C5H7N/c1-4-2-6-3-5(4)6/h5H,1-3H2/t5-,6?/m0/s1",79.43223,-13.00267,
1832,[C:1](#[C:2][C:3]([N:4]1[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])([H:8])[H:9])[H:7],[C:1](=[C:2]=[C:3]([H:8])[H:9])([H:7])[H:11].[N:4]1=[C:5]([H:10])[C:6]1([H:12])[H:13],"InChI=1S/C5H7N/c1-2-3-6-4-5-6/h1H,3-5H2","InChI=1S/C3H4.C2H3N/c1-3-2;1-2-3-1/h1-2H2;1H,2H2",35.4294,13.703470000000001,Retroene
1833,[C:1](#[C:2][C:3]([N:4]1[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])([H:8])[H:9])[H:7],[C:1](=[C:2]=[C:3]([H:8])[H:9])([C:5]([N:4]=[C:6]([H:12])[H:13])([H:10])[H:11])[H:7],"InChI=1S/C5H7N/c1-2-3-6-4-5-6/h1H,3-5H2","InChI=1S/C5H7N/c1-3-4-5-6-2/h4H,1-2,5H2",50.6015,-23.93072,
1834,[C:1](#[C:2][C:3]([N:4]1[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])([H:8])[H:9])[H:7],[C:1](=[C:2])([C:3]([N:4]1[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])([H:8])[H:9])[H:7],"InChI=1S/C5H7N/c1-2-3-6-4-5-6/h1H,3-5H2","InChI=1S/C5H7N/c1-2-3-6-4-5-6/h2H,3-5H2",61.127359999999996,49.74222,Singlet_Carbene_Intra_Disproportionation
1835,[C:1](#[C:2][C:3]([N:4]1[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])([H:8])[H:9])[H:7],[C:1](#[C:2][C:3]([N+:4]([C-:5]([H:10])[H:11])=[C:6]([H:12])[H:13])([H:8])[H:9])[H:7],"InChI=1S/C5H7N/c1-2-3-6-4-5-6/h1H,3-5H2","InChI=1S/C5H7N/c1-4-5-6(2)3/h1H,2-3,5H2",38.1376,20.61564,
1836,[C:1](#[C:2][C:3]([N:4]1[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])([H:8])[H:9])[H:7],[C-:3]([N+:4]1=[C:6]([H:12])[C:5]1([H:10])[H:11])([H:8])[H:9].[C:1](#[C:2][H:13])[H:7],"InChI=1S/C5H7N/c1-2-3-6-4-5-6/h1H,3-5H2","InChI=1S/C3H5N.C2H2/c1-4-2-3-4;1-2/h2H,1,3H2;1-2H",62.286590000000004,58.2355,
1837,[C:1](#[C:2][C:3]1([H:7])[C:4]([H:8])([H:9])[C:5]1([H:10])[H:11])[H:6],[C:1]1([H:6])=[C:2]([C:3](=[C:5]([H:10])[H:11])[H:7])[C:4]1([H:8])[H:9],"InChI=1S/C5H6/c1-2-5-3-4-5/h1,5H,3-4H2","InChI=1S/C5H6/c1-2-5-3-4-5/h2-3H,1,4H2",81.93124,5.940169999999999,
1838,[C:1](#[C:2][C:3]1([H:7])[C:4]([H:8])([H:9])[C:5]1([H:10])[H:11])[H:6],[C+:1](=[C:2]=[C-:3][C:4]([C:5]([H:7])([H:10])[H:11])([H:8])[H:9])[H:6],"InChI=1S/C5H6/c1-2-5-3-4-5/h1,5H,3-4H2","InChI=1S/C5H6/c1-3-5-4-2/h1H,4H2,2H3",60.58286999999999,51.29766,
1839,[C:1](#[C:2][C:3]1([H:7])[C:4]([H:8])([H:9])[C:5]1([H:10])[H:11])[H:6],[C:1](=[C:2]=[C:3]([C:5](=[C:4]([H:8])[H:9])[H:10])[H:7])([H:6])[H:11],"InChI=1S/C5H6/c1-2-5-3-4-5/h1,5H,3-4H2","InChI=1S/C5H6/c1-3-5-4-2/h3,5H,1-2H2",82.59401,-13.326279999999999,
1840,[C:1](#[C:2][C:3]1([H:7])[C:4]([H:8])([H:9])[C:5]1([H:10])[H:11])[H:6],[C:1]1([H:6])=[C:2]=[C:3]([H:7])[C:4]([H:8])([H:9])[C:5]1([H:10])[H:11],"InChI=1S/C5H6/c1-2-5-3-4-5/h1,5H,3-4H2","InChI=1S/C5H6/c1-2-4-5-3-1/h1,5H,2,4H2",70.98685,25.98754,
1841,[C:1](#[C:2][C:3]1([H:7])[C:4]([H:8])([H:9])[C:5]1([H:10])[H:11])[H:6],[C:1](=[C:2])([C:3]1([H:7])[C:4]([H:8])([H:9])[C:5]1([H:10])[H:11])[H:6],"InChI=1S/C5H6/c1-2-5-3-4-5/h1,5H,3-4H2","InChI=1S/C5H6/c1-2-5-3-4-5/h2,5H,3-4H2",58.002990000000004,53.22821,Singlet_Carbene_Intra_Disproportionation
1842,[C:1](#[C:2][C:3]1([H:7])[C:4]([H:8])([H:9])[C:5]1([H:10])[H:11])[H:6],[C:1](=[C:2]=[C:3]1[C:4]([H:8])([H:9])[C:5]1([H:10])[H:11])([H:6])[H:7],"InChI=1S/C5H6/c1-2-5-3-4-5/h1,5H,3-4H2","InChI=1S/C5H6/c1-2-5-3-4-5/h1,3-4H2",79.5556,1.23136,
1843,[C:1](#[C:2][C:3]1([H:7])[C:4]([H:8])([H:9])[C:5]1([H:10])[H:11])[H:6],[C-:1](=[C:2]1[C+:3]([H:7])[C:5]([H:10])([H:11])[C:4]1([H:8])[H:9])[H:6],"InChI=1S/C5H6/c1-2-5-3-4-5/h1,5H,3-4H2","InChI=1S/C5H6/c1-5-3-2-4-5/h1,3H,2,4H2",60.64828000000001,59.59038,
1844,[C:1](#[C:2][C:3]1([H:7])[C:4]([H:8])([H:9])[C:5]1([H:10])[H:11])[H:6],[C:1](=[C:2]1[C@:3]2([H:7])[C:4]([H:8])([H:9])[C@:5]12[H:10])([H:6])[H:11],"InChI=1S/C5H6/c1-2-5-3-4-5/h1,5H,3-4H2","InChI=1S/C5H6/c1-3-4-2-5(3)4/h4-5H,1-2H2/t4-,5+",82.59486,7.28978,
1845,[C:1]([C@@:2]([O:3][H:11])([C:4](=[O:5])[C:6]([H:12])([H:13])[H:14])[H:10])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[O:3][C@:4]1([O:5][H:11])[C:6]([H:12])([H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-3(5)4(2)6/h3,5H,1-2H3/t3-/m1/s1","InChI=1S/C4H8O2/c1-3-4(2,5)6-3/h3,5H,1-2H3/t3-,4-/m1/s1",45.33688,19.08116,
1846,[C:1]([C@@:2]([O:3][H:11])([C:4](=[O:5])[C:6]([H:12])([H:13])[H:14])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2]([O:3][H:11])([H:10])[H:12])([H:7])([H:8])[H:9].[C:4](=[O:5])=[C:6]([H:13])[H:14],"InChI=1S/C4H8O2/c1-3(5)4(2)6/h3,5H,1-2H3/t3-/m1/s1","InChI=1S/C2H6O.C2H2O/c2*1-2-3/h3H,2H2,1H3;1H2",73.89072,28.13485,
1847,[C:1]([C@@:2]([O:3][H:11])([C:4](=[O:5])[C:6]([H:12])([H:13])[H:14])[H:10])([H:7])([H:8])[H:9],[C:1](/[C:2]([O:3][H:10])=[C:4](/[O:5][H:11])[C:6]([H:12])([H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-3(5)4(2)6/h3,5H,1-2H3/t3-/m1/s1","InChI=1S/C4H8O2/c1-3(5)4(2)6/h5-6H,1-2H3/b4-3-",59.53625,6.670160000000001,ketoenol
1848,[C:1]([C@@:2]([O:3][H:11])([C:4](=[O:5])[C:6]([H:12])([H:13])[H:14])[H:10])([H:7])([H:8])[H:9],[C:1]([C@@:2]([O:3][H:11])([C:4]([O:5][H:12])=[C:6]([H:13])[H:14])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-3(5)4(2)6/h3,5H,1-2H3/t3-/m1/s1","InChI=1S/C4H8O2/c1-3(5)4(2)6/h4-6H,1H2,2H3/t4-/m1/s1",64.72885,12.64842,ketoenol
1849,[C:1]([C@@:2]([O:3][H:11])([C:4](=[O:5])[C:6]([H:12])([H:13])[H:14])[H:10])([H:7])([H:8])[H:9],[C:1]([C:4]([C:2](=[O:3])[H:10])([O:5][H:11])[C:6]([H:12])([H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-3(5)4(2)6/h3,5H,1-2H3/t3-/m1/s1","InChI=1S/C4H8O2/c1-4(2,6)3-5/h3,6H,1-2H3",39.20536,4.28169,
1850,[C:1]([C@@:2]([O:3][H:11])([C:4](=[O:5])[C:6]([H:12])([H:13])[H:14])[H:10])([H:7])([H:8])[H:9],[C:1](=[C:2]([C:4](=[O:5])[C:6]([H:12])([H:13])[H:14])[H:10])([H:7])[H:8].[O:3]([H:9])[H:11],"InChI=1S/C4H8O2/c1-3(5)4(2)6/h3,5H,1-2H3/t3-/m1/s1","InChI=1S/C4H6O.H2O/c1-3-4(2)5;/h3H,1H2,2H3;1H2",61.0175,15.25903,"1,3_Insertion_ROR"
1851,[C:1]([C@@:2]([O:3][H:11])([C:4](=[O:5])[C:6]([H:12])([H:13])[H:14])[H:10])([H:7])([H:8])[H:9],[C:1](=[C:2]([O:3][H:11])[H:10])([H:7])[H:8].[C:4](=[O:5])([C:6]([H:12])([H:13])[H:14])[H:9],"InChI=1S/C4H8O2/c1-3(5)4(2)6/h3,5H,1-2H3/t3-/m1/s1","InChI=1S/2C2H4O/c2*1-2-3/h2H,1H3;2-3H,1H2",71.30954,25.994410000000002,
1852,[C:1]([C@@:2]([O:3][H:11])([C:4](=[O:5])[C:6]([H:12])([H:13])[H:14])[H:10])([H:7])([H:8])[H:9],[C:1](=[C:2]([O:3][H:11])[H:10])([H:7])[H:8].[C:4](=[O:5])=[C:6]([H:13])[H:14].[H:9][H:12],"InChI=1S/C4H8O2/c1-3(5)4(2)6/h3,5H,1-2H3/t3-/m1/s1","InChI=1S/C2H4O.C2H2O.H2/c2*1-2-3;/h2-3H,1H2;1H2;1H",85.22258000000001,54.103159999999995,
1853,[C:1]([C@@:2]([O:3][H:11])([C:4](=[O:5])[C:6]([H:12])([H:13])[H:14])[H:10])([H:7])([H:8])[H:9],[C:1]([O:5]/[C:4](=[C:2](/[O:3][H:11])[H:10])[C:6]([H:12])([H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-3(5)4(2)6/h3,5H,1-2H3/t3-/m1/s1","InChI=1S/C4H8O2/c1-4(3-5)6-2/h3,5H,1-2H3/b4-3+",81.48575,25.27949,ketoenol
1854,[C:1]([C@@:2]([O:3][H:11])([C:4](=[O:5])[C:6]([H:12])([H:13])[H:14])[H:10])([H:7])([H:8])[H:9],[C:1]([C@@:2]([O:3][H:11])([C-:4]=[O+:5][C:6]([H:12])([H:13])[H:14])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-3(5)4(2)6/h3,5H,1-2H3/t3-/m1/s1","InChI=1S/C4H8O2/c1-4(5)3-6-2/h4-5H,1-2H3/t4-/m1/s1",108.89402,71.50731999999999,
1855,[C:1]([C@@:2]([O:3][H:11])([C:4](=[O:5])[C:6]([H:12])([H:13])[H:14])[H:10])([H:7])([H:8])[H:9],[C+:2]([O:3][H:11])=[C:4]([O-:5])[C:6]([H:12])([H:13])[H:14].[C:1]([H:7])([H:8])([H:9])[H:10],"InChI=1S/C4H8O2/c1-3(5)4(2)6/h3,5H,1-2H3/t3-/m1/s1","InChI=1S/C3H4O2.CH4/c1-3(5)2-4;/h1H3,(H-,4,5);1H4",65.0679,62.407,
1856,[C:1]([C@@:2]([O:3][H:11])([C:4](=[O:5])[C:6]([H:12])([H:13])[H:14])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2](=[O:3])[C:4](=[O:5])[C:6]([H:12])([H:13])[H:14])([H:7])([H:8])[H:9].[H:10][H:11],"InChI=1S/C4H8O2/c1-3(5)4(2)6/h3,5H,1-2H3/t3-/m1/s1",InChI=1S/C4H6O2.H2/c1-3(5)4(2)6;/h1-2H3;1H,86.39432,25.47555,
1857,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[N:4]([H:11])[C:5]1=[O:6])[H:7],[O:1]([C@@:2]1([H:8])[C-:3]([H:9])[N:4]([H:11])[C+:5]1[O:6][H:10])[H:7],"InChI=1S/C3H5NO2/c5-2-1-4-3(2)6/h2,5H,1H2,(H,4,6)/t2-/m0/s1","InChI=1S/C3H5NO2/c5-2-1-4-3(2)6/h1-2,4-6H/t2-/m0/s1",96.98751999999999,71.7272,
1858,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[N:4]([H:11])[C:5]1=[O:6])[H:7],[O:1]([C:2]([C:5]([N+:4](=[C-:3][H:9])[H:11])=[O:6])([H:8])[H:10])[H:7],"InChI=1S/C3H5NO2/c5-2-1-4-3(2)6/h2,5H,1H2,(H,4,6)/t2-/m0/s1","InChI=1S/C3H5NO2/c1-4-3(6)2-5/h1,4-5H,2H2",72.75256999999999,44.89069,
1859,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[N:4]([H:11])[C:5]1=[O:6])[H:7],[O:1]([C:5]([N:4]([C:3]([C:2][H:8])([H:9])[H:10])[H:11])=[O:6])[H:7],"InChI=1S/C3H5NO2/c5-2-1-4-3(2)6/h2,5H,1H2,(H,4,6)/t2-/m0/s1","InChI=1S/C3H5NO2/c1-2-4-3(5)6/h1,4H,2H2,(H,5,6)",66.99977,65.02055,
1860,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[N:4]([H:11])[C:5]1=[O:6])[H:7],[O:1]([C:2]1=[C:5]([O:6][H:8])[N:4]([H:11])[C:3]1([H:9])[H:10])[H:7],"InChI=1S/C3H5NO2/c5-2-1-4-3(2)6/h2,5H,1H2,(H,4,6)/t2-/m0/s1","InChI=1S/C3H5NO2/c5-2-1-4-3(2)6/h4-6H,1H2",85.63348,30.572940000000003,ketoenol
1861,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[N:4]([H:11])[C:5]1=[O:6])[H:7],[O:1]([C@@:2]1([H:8])[C:5]([N:4]([C-:3]([H:9])[H:10])[H:11])=[O+:6]1)[H:7],"InChI=1S/C3H5NO2/c5-2-1-4-3(2)6/h2,5H,1H2,(H,4,6)/t2-/m0/s1","InChI=1S/C3H5NO2/c1-4-2-3(5)6-2/h3-5H,1H2/t3-/m1/s1",72.67364,69.78964,
1862,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[N:4]([H:11])[C:5]1=[O:6])[H:7],[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[N:4]=[C:5]1[O:6][H:11])[H:7],"InChI=1S/C3H5NO2/c5-2-1-4-3(2)6/h2,5H,1H2,(H,4,6)/t2-/m0/s1","InChI=1S/C3H5NO2/c5-2-1-4-3(2)6/h2,5H,1H2,(H,4,6)/t2-/m0/s1",57.9647,16.6255,ketoenol
1863,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[N:4]([H:11])[C:5]1=[O:6])[H:7],[O:1]([C:5]([C@:2]1([H:8])[C:3]([H:9])([H:10])[N:4]1[H:11])=[O:6])[H:7],"InChI=1S/C3H5NO2/c5-2-1-4-3(2)6/h2,5H,1H2,(H,4,6)/t2-/m0/s1","InChI=1S/C3H5NO2/c5-3(6)2-1-4-2/h2,4H,1H2,(H,5,6)/t2-/m0/s1",80.38949000000001,1.3714,
1864,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[N:4]([H:11])[C:5]1=[O:6])[H:7],[O:1]([C@@:2]1([C:5](=[O:6])[H:8])[C:3]([H:9])([H:10])[N:4]1[H:11])[H:7],"InChI=1S/C3H5NO2/c5-2-1-4-3(2)6/h2,5H,1H2,(H,4,6)/t2-/m0/s1","InChI=1S/C3H5NO2/c5-2-3(6)1-4-3/h2,4,6H,1H2/t3-/m1/s1",66.46876999999999,19.222579999999997,
1865,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[N:4]([H:11])[C:5]1=[O:6])[H:7],[O+:1](=[C:2]=[C:5]([N:4]([C:3]([H:8])([H:9])[H:10])[H:11])[O-:6])[H:7],"InChI=1S/C3H5NO2/c5-2-1-4-3(2)6/h2,5H,1H2,(H,4,6)/t2-/m0/s1","InChI=1S/C3H5NO2/c1-4-3(6)2-5/h4,6H,1H3",53.30891999999999,39.9815,
1866,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[N:4]([H:11])[C:5]1=[O:6])[H:7],[O+:1](=[C-:2][C:3]([N:4]([C:5](=[O:6])[H:8])[H:11])([H:9])[H:10])[H:7],"InChI=1S/C3H5NO2/c5-2-1-4-3(2)6/h2,5H,1H2,(H,4,6)/t2-/m0/s1","InChI=1S/C3H5NO2/c5-2-1-4-3-6/h3,5H,1H2,(H,4,6)",70.32106,45.69939,
1867,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[N:4]([H:11])[C:5]1=[O:6])[H:7],[C-:5]#[O+:6].[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[N:4]1[H:11])[H:7],"InChI=1S/C3H5NO2/c5-2-1-4-3(2)6/h2,5H,1H2,(H,4,6)/t2-/m0/s1","InChI=1S/C2H5NO.CO/c4-2-1-3-2;1-2/h2-4H,1H2;/t2-;/m0./s1",73.02049,23.76475,
1868,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[N:4]([H:11])[C:5]1=[O:6])[H:7],[O:1]([C@@:2]([C:3]([H:9])([H:10])[H:11])([C:5](=[N:4])[O:6])[H:8])[H:7],"InChI=1S/C3H5NO2/c5-2-1-4-3(2)6/h2,5H,1H2,(H,4,6)/t2-/m0/s1","InChI=1S/C3H5NO2/c1-2(5)3(4)6/h2,5H,1H3/t2-/m0/s1",67.08511999999999,58.40905,
1869,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[N:4]([H:11])[C:5]1=[O:6])[H:7],[O:1]([C@@:5]12[C@@:2]([H:8])([C:3]([H:9])([H:10])[N:4]1[H:11])[O:6]2)[H:7],"InChI=1S/C3H5NO2/c5-2-1-4-3(2)6/h2,5H,1H2,(H,4,6)/t2-/m0/s1","InChI=1S/C3H5NO2/c5-3-2(6-3)1-4-3/h2,4-5H,1H2/t2-,3-/m1/s1",82.35803,44.96505,
1870,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[N:4]([H:11])[C:5]1=[O:6])[H:7],[C:2]1([H:8])=[C:3]([H:9])[N:4]([H:11])[C:5]1=[O:6].[O:1]([H:7])[H:10],"InChI=1S/C3H5NO2/c5-2-1-4-3(2)6/h2,5H,1H2,(H,4,6)/t2-/m0/s1","InChI=1S/C3H3NO.H2O/c5-3-1-2-4-3;/h1-2H,(H,4,5);1H2",73.98087,27.085379999999997,"1,3_Insertion_ROR"
1871,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[N:4]([H:11])[C:5]1=[O:6])[H:7],[O:1]([C:2](=[C:5]([N:4]([C+:3]([H:9])[H:10])[H:11])[O-:6])[H:8])[H:7],"InChI=1S/C3H5NO2/c5-2-1-4-3(2)6/h2,5H,1H2,(H,4,6)/t2-/m0/s1","InChI=1S/C3H5NO2/c1-4-3(6)2-5/h2,4H,1H2,(H-,5,6)",30.2395,31.35172,
1872,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[N:4]([H:11])[C:5]1=[O:6])[H:7],[O:1]([C:2]([C:3]([N:4]=[C:5]=[O:6])([H:9])[H:10])([H:8])[H:11])[H:7],"InChI=1S/C3H5NO2/c5-2-1-4-3(2)6/h2,5H,1H2,(H,4,6)/t2-/m0/s1","InChI=1S/C3H5NO2/c5-2-1-4-3-6/h5H,1-2H2",81.37319000000001,-9.601510000000001,
1873,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[N:4]([H:11])[C:5]1=[O:6])[H:7],[C-:5]#[O+:6].[O:1]([C:2](/[C:3](=[N:4]/[H:11])[H:10])([H:8])[H:9])[H:7],"InChI=1S/C3H5NO2/c5-2-1-4-3(2)6/h2,5H,1H2,(H,4,6)/t2-/m0/s1","InChI=1S/C2H5NO.CO/c3-1-2-4;1-2/h1,3-4H,2H2;/b3-1+;",70.0843,10.73617,
1874,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[N:4]([H:11])[C:5]1=[O:6])[H:7],[O:1]1[C@@:2](/[C:5](=[N:4]/[H:11])[O:6][H:7])([H:8])[C:3]1([H:9])[H:10],"InChI=1S/C3H5NO2/c5-2-1-4-3(2)6/h2,5H,1H2,(H,4,6)/t2-/m0/s1","InChI=1S/C3H5NO2/c4-3(5)2-1-6-2/h2H,1H2,(H2,4,5)/t2-/m0/s1",58.473009999999995,12.27432,
1875,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[N:4]([H:11])[C:5]1=[O:6])[H:7],[N:4](=[C:5]=[O:6])[H:11].[O:1]([C:2](=[C:3]([H:9])[H:10])[H:8])[H:7],"InChI=1S/C3H5NO2/c5-2-1-4-3(2)6/h2,5H,1H2,(H,4,6)/t2-/m0/s1","InChI=1S/C2H4O.CHNO/c1-2-3;2-1-3/h2-3H,1H2;2H",39.25054,-0.23243000000000003,
1876,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[N:4]([H:11])[C:5]1=[O:6])[H:7],[C:3](=[N:4][H:11])([H:9])[H:10].[O:1]([C:2](=[C:5]=[O:6])[H:8])[H:7],"InChI=1S/C3H5NO2/c5-2-1-4-3(2)6/h2,5H,1H2,(H,4,6)/t2-/m0/s1","InChI=1S/C2H2O2.CH3N/c3-1-2-4;1-2/h1,3H;2H,1H2",48.69913,41.35386,
1877,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[N:4]([H:11])[C:5]1=[O:6])[H:7],[C+:2]1=[C:5]([O-:6])[N:4]([H:11])[C:3]1([H:9])[H:10].[O:1]([H:7])[H:8],"InChI=1S/C3H5NO2/c5-2-1-4-3(2)6/h2,5H,1H2,(H,4,6)/t2-/m0/s1","InChI=1S/C3H3NO.H2O/c5-3-1-2-4-3;/h4H,2H2;1H2",74.13917,52.177929999999996,
1878,[C:1]([C@@:2]1([H:10])[O:3][C@:4]1([C:5]#[N:6])[H:11])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[O:3][C@:4]1([N+:6]#[C-:5])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-3-4(2-5)6-3/h3-4H,1H3/t3-,4+/m1/s1","InChI=1S/C4H5NO/c1-3-4(5-2)6-3/h3-4H,1H3/t3-,4-/m1/s1",55.810190000000006,23.05686,
1879,[C:1]([C@@:2]1([H:10])[O:3][C@:4]1([C:5]#[N:6])[H:11])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[O:3][C:4]([H:11])=[C:5]=[N:6]1)([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-3-4(2-5)6-3/h3-4H,1H3/t3-,4+/m1/s1","InChI=1S/C4H5NO/c1-4-5-2-3-6-4/h3-4H,1H3/t4-/m1/s1",87.34649,49.76334,
1880,[C:1]([C@@:2]1([H:10])[O:3][C@:4]1([C:5]#[N:6])[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]([O:3][C:4](=[C:5]=[N:6][H:7])[H:11])[H:10])([H:8])[H:9],"InChI=1S/C4H5NO/c1-3-4(2-5)6-3/h3-4H,1H3/t3-,4+/m1/s1","InChI=1S/C4H5NO/c1-2-6-4-3-5/h2,4-5H,1H2",51.59561,21.3734,
1881,[C:1]([C@@:2]1([H:10])[O:3][C@:4]1([C:5]#[N:6])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]1=[O+:3][C@:4]1([C-:5]=[N:6][H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-3-4(2-5)6-3/h3-4H,1H3/t3-,4+/m1/s1","InChI=1S/C4H5NO/c1-3-4(2-5)6-3/h4-5H,1H3/t4-/m0/s1",123.04138999999999,73.04762,
1882,[C:1]([C@@:2]1([H:10])[O:3][C@:4]1([C:5]#[N:6])[H:11])([H:7])([H:8])[H:9],[C:1]([C@@:2]([O:3][C:5]#[N:6])([C:4][H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-3-4(2-5)6-3/h3-4H,1H3/t3-,4+/m1/s1","InChI=1S/C4H5NO/c1-4(2)6-3-5/h1,4H,2H3/t4-/m0/s1",89.76968000000001,91.8812,
1883,[C:1]([C@@:2]1([H:10])[O:3][C@:4]1([C:5]#[N:6])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([O+:3]=[C:4]=[C:5]=[N-:6])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-3-4(2-5)6-3/h3-4H,1H3/t3-,4+/m1/s1","InChI=1S/C4H5NO/c1-2-6-4-3-5/h2H2,1H3",70.83203,34.03712,
1884,[C:1]([C@@:2]1([H:10])[O:3][C@:4]1([C:5]#[N:6])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](=[O+:3][C:4](=[C:5]=[N-:6])[H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-3-4(2-5)6-3/h3-4H,1H3/t3-,4+/m1/s1","InChI=1S/C4H5NO/c1-2-6-4-3-5/h2,4H,1H3",40.329840000000004,24.63489,
1885,[C:1]([C@@:2]1([H:10])[O:3][C@:4]1([C:5]#[N:6])[H:11])([H:7])([H:8])[H:9],[C:1]1([H:8])([H:9])[C:2]([H:7])([H:10])[O:3][C:4]([H:11])=[C:5]=[N:6]1,"InChI=1S/C4H5NO/c1-3-4(2-5)6-3/h3-4H,1H3/t3-,4+/m1/s1","InChI=1S/C4H5NO/c1-3-6-4-2-5-1/h4H,1,3H2",81.9057,37.84693,
1886,[C:1]([C@@:2]1([H:10])[O:3][C@:4]1([C:5]#[N:6])[H:11])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[O:3][N:6]=[C:5]=[C:4]1[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-3-4(2-5)6-3/h3-4H,1H3/t3-,4+/m1/s1","InChI=1S/C4H5NO/c1-4-2-3-5-6-4/h2,4H,1H3/t4-/m1/s1",94.28429,77.80912,
1887,[C:1]([C@@:2]1([H:10])[O:3][C@:4]1([C:5]#[N:6])[H:11])([H:7])([H:8])[H:9],[C:1]([C@@:2]([O:3][H:11])([C+:4]=[C:5]=[N-:6])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-3-4(2-5)6-3/h3-4H,1H3/t3-,4+/m1/s1","InChI=1S/C4H5NO/c1-4(6)2-3-5/h4,6H,1H3/t4-/m1/s1",61.208659999999995,51.15441,
1888,[C:1]([C@@:2]1([H:10])[O:3][C@:4]1([C:5]#[N:6])[H:11])([H:7])([H:8])[H:9],[C:1](/[C:2](=[C:4](\[C:5]#[N+:6][O-:3])[H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-3-4(2-5)6-3/h3-4H,1H3/t3-,4+/m1/s1","InChI=1S/C4H5NO/c1-2-3-4-5-6/h2-3H,1H3/b3-2-",83.21485,23.69576,
1889,[C:1]([C@@:2]1([H:10])[O:3][C@:4]1([C:5]#[N:6])[H:11])([H:7])([H:8])[H:9],[C:1]([C@@:2]([O+:3]=[C-:4][H:11])([C:5]#[N:6])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-3-4(2-5)6-3/h3-4H,1H3/t3-,4+/m1/s1","InChI=1S/C4H5NO/c1-4(3-5)6-2/h2,4H,1H3/t4-/m1/s1",61.2741,50.114,
1890,[C:1]([C@@:2]1([H:10])[O:3][C@:4]1([C:5]#[N:6])[H:11])([H:7])([H:8])[H:9],[C:1]([C-:2]=[O+:3][C:4]([C:5]#[N:6])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-3-4(2-5)6-3/h3-4H,1H3/t3-,4+/m1/s1","InChI=1S/C4H5NO/c1-2-6-4-3-5/h4H2,1H3",73.15802,44.346740000000004,
1891,[C:1]([C@@:2]1([H:10])[O:3][C@:4]1([C:5]#[N:6])[H:11])([H:7])([H:8])[H:9],[C:1]([O:3][C@:4]([C:2][H:10])([C:5]#[N:6])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-3-4(2-5)6-3/h3-4H,1H3/t3-,4+/m1/s1","InChI=1S/C4H5NO/c1-4(3-5)6-2/h1,4H,2H3/t4-/m1/s1",104.5884,85.44467,
1892,[C:1]([C@@:2]1([H:10])[O:3][C@:4]1([C:5]#[N:6])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](=[O:3])[C:4]([C:5]#[N:6])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-3-4(2-5)6-3/h3-4H,1H3/t3-,4+/m1/s1","InChI=1S/C4H5NO/c1-4(6)2-3-5/h2H2,1H3",63.82937,-27.5339,
1893,[C:1]([C@@:2]1([H:10])[O:3][C@:4]1([C:5]#[N:6])[H:11])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[O:3][C:4]1=[C:5]=[N:6][H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-3-4(2-5)6-3/h3-4H,1H3/t3-,4+/m1/s1","InChI=1S/C4H5NO/c1-3-4(2-5)6-3/h3,5H,1H3/t3-/m1/s1",102.22738000000001,30.142840000000003,
1894,[C:1]([C@@:2]1([H:10])[O:3][C@:4]1([C:5]#[N:6])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2][C@@:4]([O:3][H:10])([C:5]#[N:6])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-3-4(2-5)6-3/h3-4H,1H3/t3-,4+/m1/s1","InChI=1S/C4H5NO/c1-2-4(6)3-5/h4,6H,1H3/t4-/m1/s1",67.52962,65.83055999999999,
1895,[C:1]([C@@:2]1([H:10])[O:3][C@:4]1([C:5]#[N:6])[H:11])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:5]([C:4](=[O:3])[H:11])=[N:6]1)([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-3-4(2-5)6-3/h3-4H,1H3/t3-,4+/m1/s1","InChI=1S/C4H5NO/c1-3-4(2-6)5-3/h2-3H,1H3/t3-/m0/s1",61.17471999999999,17.0664,
1896,[C:1]([C@@:2]1([H:10])[O:3][C@:4]1([C:5]#[N:6])[H:11])([H:7])([H:8])[H:9],[C-:2]1=[O+:3][C@:4]1([C:5]#[N:6])[H:11].[C:1]([H:7])([H:8])([H:9])[H:10],"InChI=1S/C4H5NO/c1-3-4(2-5)6-3/h3-4H,1H3/t3-,4+/m1/s1",InChI=1S/C3HNO.CH4/c4-1-3-2-5-3;/h3H;1H4/t3-;/m0./s1,81.07376,57.11512,
1897,[C:1]([C:2]#[C:3][C:4](=[O:5])[N:6]([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]=[C:3]=[C:4]([O:5][H:9])[N:6]([H:10])[H:11])([H:7])[H:8],"InChI=1S/C4H5NO/c1-2-3-4(5)6/h1H3,(H2,5,6)","InChI=1S/C4H5NO/c1-2-3-4(5)6/h6H,1,5H2",47.46284,20.25463,
1898,[C:1]([C:2]#[C:3][C:4](=[O:5])[N:6]([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]#[C:3]/[C:4]([O:5][H:10])=[N:6]\[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-2-3-4(5)6/h1H3,(H2,5,6)","InChI=1S/C4H5NO/c1-2-3-4(5)6/h1H3,(H2,5,6)",40.110209999999995,8.63567,ketoenol
1899,[C:1]([C:2]#[C:3][C:4](=[O:5])[N:6]([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]#[C:3][H:11])([H:7])([H:8])[H:9].[C:4](=[O:5])=[N:6][H:10],"InChI=1S/C4H5NO/c1-2-3-4(5)6/h1H3,(H2,5,6)","InChI=1S/C3H4.CHNO/c1-3-2;2-1-3/h1H,2H3;2H",55.147180000000006,13.67719,
1900,[C:1]([C:2]#[C:3][C:4](=[O:5])[N:6]([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]([C+:3]=[C:4]([O-:5])[N:6]([H:10])[H:11])[H:9])([H:7])[H:8],"InChI=1S/C4H5NO/c1-2-3-4(5)6/h1H3,(H2,5,6)","InChI=1S/C4H5NO/c1-2-3-4(5)6/h2H,1,5H2",66.33215,47.70182,
1901,[C:1]([C:2]#[C:3][C:4](=[O:5])[N:6]([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]=[C:4]=[O:5])[N:6]([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-2-3-4(5)6/h1H3,(H2,5,6)","InChI=1S/C4H5NO/c1-4(5)2-3-6/h5H2,1H3",57.6303,-2.76837,
1902,[C:1]([C:2]#[C:3][C:4](=[O:5])[N:6]([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]#[C:3][O+:5]=[C-:4][N:6]([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-2-3-4(5)6/h1H3,(H2,5,6)","InChI=1S/C4H5NO/c1-2-3-6-4-5/h5H2,1H3",87.51735,64.76924,
1903,[C:1]([C:2]#[C:3][C:4](=[O:5])[N:6]([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]=[C:3]1[C:4](=[O:5])[N:6]1[H:11])([H:7])[H:8].[H:9][H:10],"InChI=1S/C4H5NO/c1-2-3-4(5)6/h1H3,(H2,5,6)","InChI=1S/C4H3NO.H2/c1-2-3-4(6)5-3;/h1H2,(H,5,6);1H",88.94788,63.99134,
1904,[C:1]([C:2]#[C:3][C:4](=[O:5])[N:6]([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]=[C:3]([C:4](=[O:5])[N:6]([H:10])[H:11])[H:9])([H:7])[H:8],"InChI=1S/C4H5NO/c1-2-3-4(5)6/h1H3,(H2,5,6)","InChI=1S/C4H5NO/c1-2-3-4(5)6/h3H,1H2,(H2,5,6)",66.41091999999999,-4.2550099999999995,
1905,[C:1]([C:2]#[C:3][C:4](=[O:5])[N:6]([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3])[C:4](=[O:5])[N:6]([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-2-3-4(5)6/h1H3,(H2,5,6)","InChI=1S/C4H5NO/c1-3(2)4(5)6/h1H3,(H2,5,6)",49.5204,49.31528,
1906,[C:1]([C:2]#[C:3][C:4](=[O:5])[N:6]([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]=[C:3]=[C:4]=[O:5])([H:7])[H:8].[N:6]([H:9])([H:10])[H:11],"InChI=1S/C4H5NO/c1-2-3-4(5)6/h1H3,(H2,5,6)",InChI=1S/C4H2O.H3N/c1-2-3-4-5;/h1H2;1H3,61.13295,30.64488,
1907,[C:1]([C@@:2]1([H:10])[C@@:3]2([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@@:6]12[H:16])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C@@:3]([C:6][H:16])([H:11])[C:4]([H:12])([H:13])[C:5]1([H:14])[H:15])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-4-5-2-3-6(4)5/h4-6H,2-3H2,1H3/t4-,5+,6-","InChI=1S/C6H10/c1-5-3-4-6(5)2/h1,5-6H,3-4H2,2H3/t5-,6-/m1/s1",116.55046999999999,67.75768000000001,
1908,[C:1]([C@@:2]1([H:10])[C@@:3]2([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@@:6]12[H:16])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3](=[C:4]([H:12])[H:13])[H:11])([C:6](=[C:5]([H:14])[H:15])[H:16])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-4-5-2-3-6(4)5/h4-6H,2-3H2,1H3/t4-,5+,6-","InChI=1S/C6H10/c1-4-6(3)5-2/h4-6H,1-2H2,3H3",71.44893,-12.460410000000001,
1909,[C:1]([C@@:2]1([H:10])[C@@:3]2([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@@:6]12[H:16])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3][C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]1([H:11])[H:16])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-4-5-2-3-6(4)5/h4-6H,2-3H2,1H3/t4-,5+,6-","InChI=1S/C6H10/c1-6-4-2-3-5-6/h6H,2-4H2,1H3/t6-/m1/s1",60.808,43.5438,
1910,[C:1]([C@@:2]1([H:10])[C@@:3]2([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@@:6]12[H:16])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:13])[C@:6]1([C:5]([C:4][H:12])([H:14])[H:15])[H:16])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-4-5-2-3-6(4)5/h4-6H,2-3H2,1H3/t4-,5+,6-","InChI=1S/C6H10/c1-3-6-4-5(6)2/h1,5-6H,3-4H2,2H3/t5-,6+/m0/s1",76.87317,75.87291,
1911,[C:1]([C@@:2]1([H:10])[C@@:3]2([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@@:6]12[H:16])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C@:3]([C:4]([H:12])([H:13])[H:15])([H:11])[C@:6]1([C:5][H:14])[H:16])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-4-5-2-3-6(4)5/h4-6H,2-3H2,1H3/t4-,5+,6-","InChI=1S/C6H10/c1-4-5(2)6(4)3/h1,4-6H,2-3H3/t4-,5+,6-",75.62447,64.02802,
1912,[C:1]([C@@:2]1([H:10])[C@@:3]2([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@@:6]12[H:16])([H:7])([H:8])[H:9],[C:1]([C@:3]1([H:11])[C:2]([H:10])=[C:6]([H:16])[C:5]([H:14])([H:15])[C:4]1([H:12])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-4-5-2-3-6(4)5/h4-6H,2-3H2,1H3/t4-,5+,6-","InChI=1S/C6H10/c1-6-4-2-3-5-6/h2,4,6H,3,5H2,1H3/t6-/m1/s1",93.74674,-28.92545,
1913,[C:1]([C@@:2]1([H:10])[C@@:3]2([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@@:6]12[H:16])([H:7])([H:8])[H:9],[C:1]([C:2]([C@@:6]1([H:16])[C:3][C:4]([H:12])([H:13])[C:5]1([H:14])[H:15])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-4-5-2-3-6(4)5/h4-6H,2-3H2,1H3/t4-,5+,6-","InChI=1S/C6H10/c1-2-6-4-3-5-6/h6H,2-4H2,1H3/t6-/m1/s1",64.96328000000001,67.41161,
1914,[C:1]([C@@:2]1([H:10])[C@@:3]2([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@@:6]12[H:16])([H:7])([H:8])[H:9],[C:1](/[C:2](=[C:6](/[C:3]1([H:11])[C:4]([H:12])([H:13])[C:5]1([H:14])[H:15])[H:16])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-4-5-2-3-6(4)5/h4-6H,2-3H2,1H3/t4-,5+,6-","InChI=1S/C6H10/c1-2-3-6-4-5-6/h2-3,6H,4-5H2,1H3/b3-2+",65.04831,-9.541210000000001,
1915,[C:1]([C@@:2]1([H:10])[C@@:3]2([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@@:6]12[H:16])([H:7])([H:8])[H:9],[C:1](/[C:2](=[C:3](\[C:4]([C:5](=[C:6]([H:15])[H:16])[H:14])([H:12])[H:13])[H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-4-5-2-3-6(4)5/h4-6H,2-3H2,1H3/t4-,5+,6-","InChI=1S/C6H10/c1-3-5-6-4-2/h3-4,6H,1,5H2,2H3/b6-4-",85.15534,-14.245770000000002,
1916,[C:1]([C@@:2]1([H:10])[C@@:3]2([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@@:6]12[H:16])([H:7])([H:8])[H:9],[C:1]([C:2]([C:6]1([H:16])[C@:3]2([H:11])[C:4]([H:12])([H:13])[C@:5]21[H:15])([H:10])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-4-5-2-3-6(4)5/h4-6H,2-3H2,1H3/t4-,5+,6-","InChI=1S/C6H10/c1-2-4-5-3-6(4)5/h4-6H,2-3H2,1H3/t5-,6-/m0/s1",98.16651,66.33534,
1917,[N:1]#[C:2][C:3]([C:4]#[N:5])([H:6])[H:7],[N:1](=[C:2]=[C:3]([C:4]#[N:5])[H:6])[H:7],InChI=1S/C3H2N2/c4-2-1-3-5/h1H2,"InChI=1S/C3H2N2/c4-2-1-3-5/h1,4H",70.27042,9.403319999999999,
1918,[N:1]#[C:2][C:3]([C:4]#[N:5])([H:6])[H:7],[N+:1](#[C-:2])[C:3]([C:4]#[N:5])([H:6])[H:7],InChI=1S/C3H2N2/c4-2-1-3-5/h1H2,InChI=1S/C3H2N2/c1-5-3-2-4/h3H2,59.87348000000001,27.28128,
1919,[N:1]#[C:2][C:3]([C:4]#[N:5])([H:6])[H:7],[N:1](=[C:2]=[C:3]([H:6])[H:7])[C:4]#[N:5],InChI=1S/C3H2N2/c4-2-1-3-5/h1H2,InChI=1S/C3H2N2/c1-2-5-3-4/h1H2,93.80756,21.572570000000002,
1920,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])=[C:5]([H:10])[C:6]1([H:11])[H:12],[O:1]=[C:2]([C:3]([C:4](=[C:5])[H:9])([H:7])[H:8])[C:6]([H:10])([H:11])[H:12],"InChI=1S/C5H6O/c6-5-3-1-2-4-5/h1-2H,3-4H2","InChI=1S/C5H6O/c1-3-4-5(2)6/h3H,4H2,2H3",80.95689,81.4713,
1921,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])=[C:5]([H:10])[C:6]1([H:11])[H:12],[O:1]([C:2]1=[C:6]([H:11])[C:5]([H:10])=[C:4]([H:9])[C:3]1([H:7])[H:8])[H:12],"InChI=1S/C5H6O/c6-5-3-1-2-4-5/h1-2H,3-4H2","InChI=1S/C5H6O/c6-5-3-1-2-4-5/h1-3,6H,4H2",67.41037,6.454219999999999,ketoenol
1922,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])=[C:5]([H:10])[C:6]1([H:11])[H:12],[O:1]([C+:2]1[C:3]([H:7])([H:8])[C:4]([H:9])=[C-:5][C:6]1([H:11])[H:12])[H:10],"InChI=1S/C5H6O/c6-5-3-1-2-4-5/h1-2H,3-4H2","InChI=1S/C5H6O/c6-5-3-1-2-4-5/h1,6H,3-4H2",109.94738999999998,85.81165,
1923,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])=[C:5]([H:10])[C:6]1([H:11])[H:12],[O:1]=[C:2]=[C:6](/[C:5](=[C:4](\[C:3]([H:7])([H:8])[H:12])[H:9])[H:10])[H:11],"InChI=1S/C5H6O/c6-5-3-1-2-4-5/h1-2H,3-4H2","InChI=1S/C5H6O/c1-2-3-4-5-6/h2-4H,1H3/b3-2-",59.66839,12.81141,
1924,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])=[C:5]([H:10])[C:6]1([H:11])[H:12],[C:3](=[C:4]([C:5](=[C:6]([H:11])[H:12])[H:10])[H:9])([H:7])[H:8].[O+:1]#[C-:2],"InChI=1S/C5H6O/c6-5-3-1-2-4-5/h1-2H,3-4H2","InChI=1S/C4H6.CO/c1-3-4-2;1-2/h3-4H,1-2H2;",41.44898,20.20983,
1925,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])=[C:5]([H:10])[C:6]1([H:11])[H:12],[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C:5][C:6]1([H:11])[H:12],"InChI=1S/C5H6O/c6-5-3-1-2-4-5/h1-2H,3-4H2","InChI=1S/C5H6O/c6-5-3-1-2-4-5/h1,3-4H2",71.65211,74.0834,Singlet_Carbene_Intra_Disproportionation
1926,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])=[C:5]([H:10])[C:6]1([H:11])[H:12],[O:1]=[C:2](/[C:6](=[C:5](\[C:4](=[C:3]([H:7])[H:8])[H:9])[H:10])[H:11])[H:12],"InChI=1S/C5H6O/c6-5-3-1-2-4-5/h1-2H,3-4H2","InChI=1S/C5H6O/c1-2-3-4-5-6/h2-5H,1H2/b4-3-",59.66729,17.29066,
1927,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])=[C:5]([H:10])[C:6]1([H:11])[H:12],[O:1]=[C:2]1[C:3]([H:7])([H:8])[C@:4]1([C:5](=[C:6]([H:11])[H:12])[H:10])[H:9],"InChI=1S/C5H6O/c6-5-3-1-2-4-5/h1-2H,3-4H2","InChI=1S/C5H6O/c1-2-4-3-5(4)6/h2,4H,1,3H2/t4-/m1/s1",58.81684,37.24373,
1928,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])=[C:5]([H:10])[C:6]1([H:11])[H:12],[O:1]1[C:2](=[C:6]([H:11])[H:12])[C:3]([H:7])([H:8])[C:4]([H:9])=[C:5]1[H:10],"InChI=1S/C5H6O/c6-5-3-1-2-4-5/h1-2H,3-4H2","InChI=1S/C5H6O/c1-5-3-2-4-6-5/h2,4H,1,3H2",104.48639,16.20725,ketoenol
1929,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])=[C:5]([H:10])[C:6]1([H:11])[H:12],[H:7][H:12].[O:1]=[C:2]1[C:3]([H:8])=[C:4]([H:9])[C:5]([H:10])=[C:6]1[H:11],"InChI=1S/C5H6O/c6-5-3-1-2-4-5/h1-2H,3-4H2",InChI=1S/C5H4O.H2/c6-5-3-1-2-4-5;/h1-4H;1H,56.736369999999994,32.31317,
1930,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])=[C:5]([H:10])[C:6]1([H:11])[H:12],[O:1]=[C:2]1[C:3]([H:7])=[C:4]([H:9])[C:5]([H:8])([H:10])[C:6]1([H:11])[H:12],"InChI=1S/C5H6O/c6-5-3-1-2-4-5/h1-2H,3-4H2","InChI=1S/C5H6O/c6-5-3-1-2-4-5/h1,3H,2,4H2",60.933609999999994,-4.95946,
1931,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])=[C:5]([H:10])[C:6]1([H:11])[H:12],[O:1]1[C@@:4]2([H:9])[C:3]([H:7])([H:8])[C:2][C:6]([H:11])([H:12])[C@@:5]12[H:10],"InChI=1S/C5H6O/c6-5-3-1-2-4-5/h1-2H,3-4H2","InChI=1S/C5H6O/c1-2-4-5(3-1)6-4/h4-5H,2-3H2/t4-,5+",137.30792,100.99233000000001,
1932,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])=[C:5]([H:10])[C:6]1([H:11])[H:12],[O:1]1[C@:2]2([C:3]1([H:7])[H:8])[C:4]([H:9])=[C:5]([H:10])[C:6]2([H:11])[H:12],"InChI=1S/C5H6O/c6-5-3-1-2-4-5/h1-2H,3-4H2","InChI=1S/C5H6O/c1-2-5(3-1)4-6-5/h1-2H,3-4H2/t5-/m1/s1",102.74654,52.48256,
1933,[C:1]([C@:2]12[C:3]([H:10])([H:11])[C@@:4]1([H:12])[C:5]([H:13])([H:14])[C:6]2([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([C@:2]1([C:6][H:15])[C:3]([H:10])([H:11])[C@:4]1([C:5]([H:13])([H:14])[H:16])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-6-3-2-5(6)4-6/h5H,2-4H2,1H3/t5-,6+/m1/s1","InChI=1S/C6H10/c1-5-4-6(5,2)3/h2,5H,4H2,1,3H3/t5-,6-/m1/s1",76.75443,65.20044,
1934,[C:1]([C@:2]12[C:3]([H:10])([H:11])[C@@:4]1([H:12])[C:5]([H:13])([H:14])[C:6]2([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([C:2]1([C:3][H:11])[C:4]([H:10])([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-6-3-2-5(6)4-6/h5H,2-4H2,1H3/t5-,6+/m1/s1","InChI=1S/C6H10/c1-6(2)4-3-5-6/h1H,3-5H2,2H3",65.27365999999999,68.659,
1935,[C:1]([C@:2]12[C:3]([H:10])([H:11])[C@@:4]1([H:12])[C:5]([H:13])([H:14])[C:6]2([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]([H:10])[H:11])[C:6]([C:4](=[C:5]([H:13])[H:14])[H:12])([H:15])[H:16])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-6-3-2-5(6)4-6/h5H,2-4H2,1H3/t5-,6+/m1/s1","InChI=1S/C6H10/c1-4-5-6(2)3/h4H,1-2,5H2,3H3",69.58049,-13.64091,
1936,[C:1]([C@:2]12[C:3]([H:10])([H:11])[C@@:4]1([H:12])[C:5]([H:13])([H:14])[C:6]2([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([C:2]1([C:6]([H:14])([H:15])[H:16])[C:3]([H:10])([H:11])[C@:4]1([C:5][H:13])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-6-3-2-5(6)4-6/h5H,2-4H2,1H3/t5-,6+/m1/s1","InChI=1S/C6H10/c1-5-4-6(5,2)3/h1,5H,4H2,2-3H3/t5-/m1/s1",75.7434,62.563069999999996,
1937,[C:1]([C@:2]12[C:3]([H:10])([H:11])[C@@:4]1([H:12])[C:5]([H:13])([H:14])[C:6]2([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([C:2][C:6]([C:5]([C:4](=[C:3]([H:10])[H:11])[H:12])([H:13])[H:14])([H:15])[H:16])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-6-3-2-5(6)4-6/h5H,2-4H2,1H3/t5-,6+/m1/s1","InChI=1S/C6H10/c1-3-5-6-4-2/h3H,1,5-6H2,2H3",60.484559999999995,62.883269999999996,
1938,[C:1]([C@:2]12[C:3]([H:10])([H:11])[C@@:4]1([H:12])[C:5]([H:13])([H:14])[C:6]2([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([C@:2]1([H:15])[C:3]([H:10])([H:11])[C@:4]1([C:5]([C:6][H:16])([H:13])[H:14])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-6-3-2-5(6)4-6/h5H,2-4H2,1H3/t5-,6+/m1/s1","InChI=1S/C6H10/c1-3-6-4-5(6)2/h1,5-6H,3-4H2,2H3/t5-,6-/m1/s1",78.02038,77.61471999999999,
1939,[C:1]([C@:2]12[C:3]([H:10])([H:11])[C@@:4]1([H:12])[C:5]([H:13])([H:14])[C:6]2([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([C:2]1([C:3]([H:10])([H:11])[H:12])[C:4][C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-6-3-2-5(6)4-6/h5H,2-4H2,1H3/t5-,6+/m1/s1","InChI=1S/C6H10/c1-6(2)4-3-5-6/h3-4H2,1-2H3",64.55463,67.38176,
1940,[C:1]([C@:2]12[C:3]([H:10])([H:11])[C@@:4]1([H:12])[C:5]([H:13])([H:14])[C:6]2([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([C:2]1=[C:3]([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-6-3-2-5(6)4-6/h5H,2-4H2,1H3/t5-,6+/m1/s1","InChI=1S/C6H10/c1-6-4-2-3-5-6/h4H,2-3,5H2,1H3",65.32844,-29.35162,
1941,[C:1]([C@:2]12[C:3]([H:10])([H:11])[C@@:4]1([H:12])[C:5]([H:13])([H:14])[C:6]2([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]([H:10])[H:11])[C:6]([C:5]([C:4][H:12])([H:13])[H:14])([H:15])[H:16])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-6-3-2-5(6)4-6/h5H,2-4H2,1H3/t5-,6+/m1/s1","InChI=1S/C6H10/c1-4-5-6(2)3/h1H,2,4-5H2,3H3",65.26581999999999,70.03713,
1942,[C:1]([C@:2]12[C:3]([H:10])([H:11])[C@@:4]1([H:12])[C:5]([H:13])([H:14])[C:6]2([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([C@:2]1([H:11])[C@:4]([C:3][H:10])([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-6-3-2-5(6)4-6/h5H,2-4H2,1H3/t5-,6+/m1/s1","InChI=1S/C6H10/c1-5-3-4-6(5)2/h1,5-6H,3-4H2,2H3/t5-,6-/m0/s1",65.4549,70.48268,
1943,[C:1]([C@:2]12[C:3]([H:10])([H:11])[C@@:4]1([H:12])[C:5]([H:13])([H:14])[C:6]2([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([C:2][C:3]([C:4]1([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-6-3-2-5(6)4-6/h5H,2-4H2,1H3/t5-,6+/m1/s1","InChI=1S/C6H10/c1-2-3-6-4-5-6/h6H,3-5H2,1H3",71.24513,69.94312,
1944,[C:1]([C@:2]12[C:3]([H:10])([H:11])[C@@:4]1([H:12])[C:5]([H:13])([H:14])[C:6]2([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:12])[C:3]([H:10])([H:11])[C:4][C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-6-3-2-5(6)4-6/h5H,2-4H2,1H3/t5-,6+/m1/s1","InChI=1S/C6H10/c1-6-4-2-3-5-6/h6H,2,4-5H2,1H3/t6-/m1/s1",59.92719,44.77962,
1945,[C:1]([C@:2]12[C:3]([H:10])([H:11])[C@@:4]1([H:12])[C:5]([H:13])([H:14])[C:6]2([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([C:2]1([C:3]([C:4][H:12])([H:10])[H:11])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-6-3-2-5(6)4-6/h5H,2-4H2,1H3/t5-,6+/m1/s1","InChI=1S/C6H10/c1-3-6(2)4-5-6/h1H,3-5H2,2H3",72.47004,78.322,
1946,[C:1]([C@:2]12[C:3]([H:10])([H:11])[C@@:4]1([H:12])[C:5]([H:13])([H:14])[C:6]2([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([C:2][C:4]1([H:12])[C:3]([H:10])([H:11])[C:6]([H:15])([H:16])[C:5]1([H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-6-3-2-5(6)4-6/h5H,2-4H2,1H3/t5-,6+/m1/s1","InChI=1S/C6H10/c1-2-6-4-3-5-6/h6H,3-5H2,1H3",111.72323999999999,65.01663,
1947,[C:1]([C@:2]12[C:3]([H:10])([H:11])[C@@:4]1([H:12])[C:5]([H:13])([H:14])[C:6]2([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([C+:2]1[C@:4]([C:3]([H:10])([H:11])[H:14])([H:12])[C-:5]([H:13])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-6-3-2-5(6)4-6/h5H,2-4H2,1H3/t5-,6+/m1/s1","InChI=1S/C6H10/c1-5-3-4-6(5)2/h3,5H,4H2,1-2H3/t5-/m0/s1",93.86675,68.35011,
1948,[C:1]([C@:2]12[C:3]([H:10])([H:11])[C@@:4]1([H:12])[C:5]([H:13])([H:14])[C:6]2([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([C:3]([C@:4]1([H:12])[C:2][C:6]([H:15])([H:16])[C:5]1([H:13])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-6-3-2-5(6)4-6/h5H,2-4H2,1H3/t5-,6+/m1/s1","InChI=1S/C6H10/c1-2-6-4-3-5-6/h6H,2-4H2,1H3/t6-/m0/s1",95.22142,70.45954,
1949,[C:1]([C@:2]12[C:3]([H:10])([H:11])[C@@:4]1([H:12])[C:5]([H:13])([H:14])[C:6]2([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([C@:2]1([C:6]([C:5]([H:12])([H:13])[H:14])([H:15])[H:16])[C:3]([H:10])([H:11])[C:4]1)([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-6-3-2-5(6)4-6/h5H,2-4H2,1H3/t5-,6+/m1/s1","InChI=1S/C6H10/c1-3-6(2)4-5-6/h3-4H2,1-2H3/t6-/m0/s1",70.71435,68.48798000000001,
1950,[C:1]([C@:2]12[C:3]([H:10])([H:11])[C@@:4]1([H:12])[C:5]([H:13])([H:14])[C:6]2([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([C@:2]1([H:11])[C:3]([H:10])=[C:4]([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-6-3-2-5(6)4-6/h5H,2-4H2,1H3/t5-,6+/m1/s1","InChI=1S/C6H10/c1-6-4-2-3-5-6/h2,4,6H,3,5H2,1H3/t6-/m1/s1",65.3943,-26.02714,
1951,[C:1]([C@:2]12[C:3]([H:10])([H:11])[C@@:4]1([H:12])[C:5]([H:13])([H:14])[C:6]2([H:15])[H:16])([H:7])([H:8])[H:9],[C:1](/[C:2](=[C:6](/[C:5]([C:4](=[C:3]([H:10])[H:11])[H:12])([H:13])[H:14])[H:15])[H:16])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-6-3-2-5(6)4-6/h5H,2-4H2,1H3/t5-,6+/m1/s1","InChI=1S/C6H10/c1-3-5-6-4-2/h3-4,6H,1,5H2,2H3/b6-4+",92.24965,-12.28841,
1952,[C:1]([C@:2]12[C:3]([H:10])([H:11])[C@@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]2)([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([C:4](=[C:5]([H:13])[H:14])[H:12])([H:10])[H:11])=[O:6])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-5-2-4(5)3-6-5/h4H,2-3H2,1H3/t4-,5-/m0/s1","InChI=1S/C5H8O/c1-3-4-5(2)6/h3H,1,4H2,2H3",25.52107,-35.6988,
1953,[C:1]([C@:2]12[C:3]([H:10])([H:11])[C@@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]2)([H:7])([H:8])[H:9],[C:1]([C@:2]1([C:3][H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6]1)([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-5-2-4(5)3-6-5/h4H,2-3H2,1H3/t4-,5-/m0/s1","InChI=1S/C5H8O/c1-5(2)3-4-6-5/h1H,3-4H2,2H3/t5-/m1/s1",63.21771,63.27958,
1954,[C:1]([C@:2]12[C:3]([H:10])([H:11])[C@@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]2)([H:7])([H:8])[H:9],[C:1]([C@:2]1([O:6][H:14])[C:3]([H:10])([H:11])[C@:4]1([C:5][H:13])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-5-2-4(5)3-6-5/h4H,2-3H2,1H3/t4-,5-/m0/s1","InChI=1S/C5H8O/c1-4-3-5(4,2)6/h1,4,6H,3H2,2H3/t4-,5+/m1/s1",66.74891,53.626940000000005,
1955,[C:1]([C@:2]12[C:3]([H:10])([H:11])[C@@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]2)([H:7])([H:8])[H:9],[C:1]([C:2]1([O+:6]=[C-:5][H:14])[C:3]([H:10])([H:11])[C:4]1([H:12])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-5-2-4(5)3-6-5/h4H,2-3H2,1H3/t4-,5-/m0/s1","InChI=1S/C5H8O/c1-5(6-2)3-4-5/h2H,3-4H2,1H3",77.11678,43.33388,
1956,[C:1]([C@:2]12[C:3]([H:10])([H:11])[C@@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]2)([H:7])([H:8])[H:9],[C:1]([C:2]1=[C:3]([H:11])[C:4]([H:10])([H:12])[C:5]([H:13])([H:14])[O:6]1)([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-5-2-4(5)3-6-5/h4H,2-3H2,1H3/t4-,5-/m0/s1","InChI=1S/C5H8O/c1-5-3-2-4-6-5/h3H,2,4H2,1H3",62.383390000000006,-34.26569,
1957,[C:1]([C@:2]12[C:3]([H:10])([H:11])[C@@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]2)([H:7])([H:8])[H:9],[C:1]([C:2]1([C:3]([H:10])([H:11])[H:12])[C:4][C:5]([H:13])([H:14])[O:6]1)([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-5-2-4(5)3-6-5/h4H,2-3H2,1H3/t4-,5-/m0/s1","InChI=1S/C5H8O/c1-5(2)3-4-6-5/h4H2,1-2H3",60.032230000000006,59.66365,
1958,[C:1]([C@:2]12[C:3]([H:10])([H:11])[C@@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]2)([H:7])([H:8])[H:9],[C:1]([C:2]1=[C:4]([H:12])[C:3]1([H:10])[H:11])([H:7])([H:8])[H:9].[C:5](=[O:6])([H:13])[H:14],"InChI=1S/C5H8O/c1-5-2-4(5)3-6-5/h4H,2-3H2,1H3/t4-,5-/m0/s1","InChI=1S/C4H6.CH2O/c1-4-2-3-4;1-2/h2H,3H2,1H3;1H2",51.97797,24.256829999999997,2+2_cycloaddition
1959,[C:1]([C@:2]12[C:3]([H:10])([H:11])[C@@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]2)([H:7])([H:8])[H:9],[C:1]([C:3]([C@:4]1([H:12])[C-:2]=[O+:6][C:5]1([H:13])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-5-2-4(5)3-6-5/h4H,2-3H2,1H3/t4-,5-/m0/s1","InChI=1S/C5H8O/c1-2-5-3-6-4-5/h5H,2-3H2,1H3/t5-/m0/s1",80.54632,32.82874,
1960,[C:1]([C@:2]12[C:3]([H:10])([H:11])[C@@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]2)([H:7])([H:8])[H:9],[C:1]([C:2]1([H:11])[C:3]([H:10])=[C:4]1[H:12])([H:7])([H:8])[H:9].[C:5](=[O:6])([H:13])[H:14],"InChI=1S/C5H8O/c1-5-2-4(5)3-6-5/h4H,2-3H2,1H3/t4-,5-/m0/s1","InChI=1S/C4H6.CH2O/c1-4-2-3-4;1-2/h2-4H,1H3;1H2",91.95026999999999,28.568920000000002,
1961,[C:1]([C@:2]12[C:3]([H:10])([H:11])[C@@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]2)([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]([H:10])[H:11])[O:6][C:5]([C:4][H:12])([H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-5-2-4(5)3-6-5/h4H,2-3H2,1H3/t4-,5-/m0/s1","InChI=1S/C5H8O/c1-4-6-5(2)3/h1H,2,4H2,3H3",64.84885,63.28095,
1962,[C:1]([C@:2]12[C:3]([H:10])([H:11])[C@@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]2)([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:12])[C:3]([H:10])([H:11])[C:4][C:5]([H:13])([H:14])[O:6]1)([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-5-2-4(5)3-6-5/h4H,2-3H2,1H3/t4-,5-/m0/s1","InChI=1S/C5H8O/c1-5-3-2-4-6-5/h5H,3-4H2,1H3/t5-/m0/s1",60.14876999999999,39.95689,
1963,[C:1]([C@:2]12[C:3]([H:10])([H:11])[C@@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]2)([H:7])([H:8])[H:9],[C:1]([C@:2]1([C:3]([C:4][H:12])([H:10])[H:11])[C:5]([H:13])([H:14])[O:6]1)([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-5-2-4(5)3-6-5/h4H,2-3H2,1H3/t4-,5-/m0/s1","InChI=1S/C5H8O/c1-3-5(2)4-6-5/h1H,3-4H2,2H3/t5-/m0/s1",67.89474,73.28315,
1964,[C:1]([C@:2]12[C:3]([H:10])([H:11])[C@@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]2)([H:7])([H:8])[H:9],[C:1]([C:2][C:4]1([H:12])[C:3]([H:10])([H:11])[O:6][C:5]1([H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-5-2-4(5)3-6-5/h4H,2-3H2,1H3/t4-,5-/m0/s1","InChI=1S/C5H8O/c1-2-5-3-6-4-5/h5H,3-4H2,1H3",103.52208,66.08323,
1965,[C:1]([C@:2]12[C:3]([H:10])([H:11])[C@@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]2)([H:7])([H:8])[H:9],[C:1]([C@:2]12[C:3]([H:10])([H:11])[C@@:4]1([H:12])[C-:5]=[O+:6]2)([H:7])([H:8])[H:9].[H:13][H:14],"InChI=1S/C5H8O/c1-5-2-4(5)3-6-5/h4H,2-3H2,1H3/t4-,5-/m0/s1","InChI=1S/C5H6O.H2/c1-5-2-4(5)3-6-5;/h4H,2H2,1H3;1H/t4-,5-;/m0./s1",76.95461,71.13982,
1966,[C:1]([C@:2]12[C:3]([H:10])([H:11])[C@@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]2)([H:7])([H:8])[H:9],[C:1]([C@@:4]1([H:12])[C:3]([H:10])([H:11])[C-:2]=[O+:6][C:5]1([H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-5-2-4(5)3-6-5/h4H,2-3H2,1H3/t4-,5-/m0/s1","InChI=1S/C5H8O/c1-5-2-3-6-4-5/h5H,2,4H2,1H3/t5-/m0/s1",77.40745,9.67409,
1967,[C:1]([C@:2]12[C:3]([H:10])([H:11])[C@@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]2)([H:7])([H:8])[H:9],[C:1]([O:6][C:5]([C@@:4]1([H:12])[C:2][C:3]1([H:10])[H:11])([H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-5-2-4(5)3-6-5/h4H,2-3H2,1H3/t4-,5-/m0/s1","InChI=1S/C5H8O/c1-6-4-5-2-3-5/h5H,2,4H2,1H3/t5-/m1/s1",107.08166000000001,76.43014000000001,
1968,[C:1]([C@:2]12[C:3]([H:10])([H:11])[C@@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]2)([H:7])([H:8])[H:9],[C:1]([C:2]1=[C:4]([C:5]([O:6][H:12])([H:13])[H:14])[C:3]1([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-5-2-4(5)3-6-5/h4H,2-3H2,1H3/t4-,5-/m0/s1","InChI=1S/C5H8O/c1-4-2-5(4)3-6/h6H,2-3H2,1H3",115.92163000000001,4.103619999999999,
1969,[C:1]([C@:2]12[C:3]([H:10])([H:11])[C@@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]2)([H:7])([H:8])[H:9],[C:1]([C@:2]12[C:3]([H:10])([H:11])[C:4]1=[C:5]([H:13])[O:6]2)([H:7])([H:8])[H:9].[H:12][H:14],"InChI=1S/C5H8O/c1-5-2-4(5)3-6-5/h4H,2-3H2,1H3/t4-,5-/m0/s1","InChI=1S/C5H6O.H2/c1-5-2-4(5)3-6-5;/h3H,2H2,1H3;1H/t5-;/m0./s1",110.31716999999999,70.60772,
1970,[C:1]([C@:2]12[C:3]([H:10])([H:11])[C@@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]2)([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:14].[C:2]12=[O+:6][C-:5]([H:13])[C@:4]1([H:12])[C:3]2([H:10])[H:11],"InChI=1S/C5H8O/c1-5-2-4(5)3-6-5/h4H,2-3H2,1H3/t4-,5-/m0/s1","InChI=1S/C4H4O.CH4/c1-3-2-5-4(1)3;/h2-3H,1H2;1H4/t3-;/m0./s1",106.68893,58.352140000000006,
1971,[C:1]([C@:2]12[C:3]([H:10])([H:11])[C@@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]2)([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:10].[C:2]1=[O+:6][C:5]([H:13])([H:14])[C@@:4]1([C-:3][H:11])[H:12],"InChI=1S/C5H8O/c1-5-2-4(5)3-6-5/h4H,2-3H2,1H3/t4-,5-/m0/s1","InChI=1S/C4H4O.CH4/c1-4-2-5-3-4;/h1,4H,2H2;1H4/t4-;/m0./s1",111.31123999999998,125.00295,
1972,[C:1]([C@:2]12[C:3]([H:10])([H:11])[C@@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]2)([H:7])([H:8])[H:9],[C:1]([C:2]1=[O+:6][C-:5]([H:14])[C@@:4]1([C:3]([H:10])([H:11])[H:13])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-5-2-4(5)3-6-5/h4H,2-3H2,1H3/t4-,5-/m0/s1","InChI=1S/C5H8O/c1-4-3-6-5(4)2/h3-4H,1-2H3/t4-/m0/s1",71.38346,33.720659999999995,
1973,[C:1]([C:2]([C:3]([C:4]([H:12])([H:13])[H:14])([C:5]([H:15])([H:16])[H:17])[H:11])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([C:2]([C:3][C:5]([H:15])([H:16])[H:17])([H:9])[H:10])([H:6])([H:7])[H:8].[C:4]([H:11])([H:12])([H:13])[H:14],"InChI=1S/C5H12/c1-4-5(2)3/h5H,4H2,1-3H3","InChI=1S/C4H8.CH4/c1-3-4-2;/h3H2,1-2H3;1H4",83.36485,90.00174,
1974,[C:1]([C:2]([C:3]([C:4]([H:12])([H:13])[H:14])([C:5]([H:15])([H:16])[H:17])[H:11])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1](=[C:2]([H:9])[H:10])([H:6])[H:7].[C:3]([C:4]([H:12])([H:13])[H:14])(=[C:5]([H:16])[H:17])[H:11].[H:8][H:15],"InChI=1S/C5H12/c1-4-5(2)3/h5H,4H2,1-3H3","InChI=1S/C3H6.C2H4.H2/c1-3-2;1-2;/h3H,1H2,2H3;1-2H2;1H",78.27084,53.72339,
1975,[C:1]([C:2]([C:3]([C:4]([H:12])([H:13])[H:14])([C:5]([H:15])([H:16])[H:17])[H:11])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([C:2]([H:9])([H:10])[H:11])([H:6])([H:7])[H:8].[C:3]([C:4]([H:12])([H:13])[H:14])[C:5]([H:15])([H:16])[H:17],"InChI=1S/C5H12/c1-4-5(2)3/h5H,4H2,1-3H3",InChI=1S/C3H6.C2H6/c1-3-2;1-2/h1-2H3;1-2H3,83.41861,93.40186,
1976,[C:1]([C:2]([C:3](=[O:4])[H:10])([H:8])[H:9])([H:5])([H:6])[H:7],[C:1]([O:4][C:3](=[C:2]([H:8])[H:9])[H:10])([H:5])([H:6])[H:7],"InChI=1S/C3H6O/c1-2-3-4/h3H,2H2,1H3","InChI=1S/C3H6O/c1-3-4-2/h3H,1H2,2H3",81.32717,18.018520000000002,ketoenol
1977,[C:1]([C:2]([C:3](=[O:4])[H:10])([H:8])[H:9])([H:5])([H:6])[H:7],[C:1]([C:2](=[C:3]=[O:4])[H:8])([H:5])([H:6])[H:7].[H:9][H:10],"InChI=1S/C3H6O/c1-2-3-4/h3H,2H2,1H3","InChI=1S/C3H4O.H2/c1-2-3-4;/h2H,1H3;1H",71.03716,26.995309999999996,
1978,[C:1]([C:2]([C:3](=[O:4])[H:10])([H:8])[H:9])([H:5])([H:6])[H:7],[C:1](/[C:2](=[C:3](\[O:4][H:9])[H:10])[H:8])([H:5])([H:6])[H:7],"InChI=1S/C3H6O/c1-2-3-4/h3H,2H2,1H3","InChI=1S/C3H6O/c1-2-3-4/h2-4H,1H3/b3-2-",67.95864,5.83288,ketoenol
1979,[C:1]([C:2]([C:3](=[O:4])[H:10])([H:8])[H:9])([H:5])([H:6])[H:7],[C-:3]#[O+:4].[C:1]([C:2]([H:8])([H:9])[H:10])([H:5])([H:6])[H:7],"InChI=1S/C3H6O/c1-2-3-4/h3H,2H2,1H3",InChI=1S/C2H6.CO/c2*1-2/h1-2H3;,77.07437,-1.6865700000000001,"1,2_Insertion_CO"
1980,[C:1]([C:2]([C:3](=[O:4])[H:10])([H:8])[H:9])([H:5])([H:6])[H:7],[C:1]([C:2]([H:6])([H:8])[H:9])([O+:4]=[C-:3][H:10])([H:5])[H:7],"InChI=1S/C3H6O/c1-2-3-4/h3H,2H2,1H3","InChI=1S/C3H6O/c1-3-4-2/h2H,3H2,1H3",102.56022,69.43236999999999,
1981,[C:1]([C:2]([C:3](=[O:4])[H:10])([H:8])[H:9])([H:5])([H:6])[H:7],[C:1]([H:5])([H:6])([H:7])[H:9].[C:2](=[C:3]=[O:4])([H:8])[H:10],"InChI=1S/C3H6O/c1-2-3-4/h3H,2H2,1H3",InChI=1S/C2H2O.CH4/c1-2-3;/h1H2;1H4,77.80511,12.49118,
1982,[C:1]([C:2]([C:3](=[O:4])[H:10])([H:8])[H:9])([H:5])([H:6])[H:7],[C-:1]([O+:4]=[C:3]([C:2]([H:6])([H:8])[H:9])[H:10])([H:5])[H:7],"InChI=1S/C3H6O/c1-2-3-4/h3H,2H2,1H3","InChI=1S/C3H6O/c1-3-4-2/h3H,2H2,1H3",102.28458,61.3454,
1983,[N:1](=[C:2]1/[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[O:6]1)\[H:7],[N:1]([C:2]1=[C:3]([H:9])[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[O:6]1)([H:7])[H:8],"InChI=1S/C4H7NO/c5-4-2-1-3-6-4/h5H,1-3H2/b5-4-","InChI=1S/C4H7NO/c5-4-2-1-3-6-4/h2H,1,3,5H2",68.11128000000001,12.32921,
1984,[N:1](=[C:2]1/[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[O:6]1)\[H:7],[N:1]([C:2][C:3]([C:4]([C:5](=[O:6])[H:13])([H:10])[H:11])([H:8])[H:9])([H:7])[H:12],"InChI=1S/C4H7NO/c5-4-2-1-3-6-4/h5H,1-3H2/b5-4-","InChI=1S/C4H7NO/c5-3-1-2-4-6/h4H,1-2,5H2",84.86395,53.05406,
1985,[N:1](=[C:2]1/[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[O:6]1)\[H:7],[N:1](=[C:2](/[C:3]([C:4]([H:10])([H:11])[H:13])([H:8])[H:9])[O+:6]=[C-:5][H:12])\[H:7],"InChI=1S/C4H7NO/c5-4-2-1-3-6-4/h5H,1-3H2/b5-4-","InChI=1S/C4H7NO/c1-3-4(5)6-2/h2,5H,3H2,1H3/b5-4-",80.27155,74.03146,
1986,[N:1](=[C:2]1/[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[O:6]1)\[H:7],[C:3]1([H:8])([H:9])[C:4]([H:10])([H:11])[C:5]1([H:12])[H:13].[N:1](=[C:2]=[O:6])[H:7],"InChI=1S/C4H7NO/c5-4-2-1-3-6-4/h5H,1-3H2/b5-4-",InChI=1S/C3H6.CHNO/c1-2-3-1;2-1-3/h1-3H2;2H,76.52457,13.67844,
1987,[N:1](=[C:2]1/[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[O:6]1)\[H:7],[C:4](=[C:5]([H:12])[H:13])([H:10])[H:11].[N:1]1([H:7])[C:2](=[O:6])[C:3]1([H:8])[H:9],"InChI=1S/C4H7NO/c5-4-2-1-3-6-4/h5H,1-3H2/b5-4-","InChI=1S/C2H3NO.C2H4/c4-2-1-3-2;1-2/h1H2,(H,3,4);1-2H2",70.82958,51.43504,
1988,[N:1](=[C:2]1/[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[O:6]1)\[H:7],[H:8][H:11].[N:1](=[C:2]1/[C:3]([H:9])=[C:4]([H:10])[C:5]([H:12])([H:13])[O:6]1)\[H:7],"InChI=1S/C4H7NO/c5-4-2-1-3-6-4/h5H,1-3H2/b5-4-","InChI=1S/C4H5NO.H2/c5-4-2-1-3-6-4;/h1-2,5H,3H2;1H/b5-4-;",101.49158,25.39234,
1989,[N:1](=[C:2]1/[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[O:6]1)\[H:7],[C:3](=[C:4]([C:5]([H:10])([H:12])[H:13])[H:11])([H:8])[H:9].[N:1](=[C:2]=[O:6])[H:7],"InChI=1S/C4H7NO/c5-4-2-1-3-6-4/h5H,1-3H2/b5-4-","InChI=1S/C3H6.CHNO/c1-3-2;2-1-3/h3H,1H2,2H3;2H",71.468,5.3070900000000005,
1990,[N:1](=[C:2]1/[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[O:6]1)\[H:7],[N:1]#[C:2][C:3]([C:4]([C:5]([O:6][H:7])([H:12])[H:13])([H:10])[H:11])([H:8])[H:9],"InChI=1S/C4H7NO/c5-4-2-1-3-6-4/h5H,1-3H2/b5-4-","InChI=1S/C4H7NO/c5-3-1-2-4-6/h6H,1-2,4H2",60.43948,6.5146,
1991,[N:1](=[C:2]1/[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[O:6]1)\[H:7],[H:10][H:13].[N:1](=[C:2]1/[C:3]([H:8])([H:9])[C:4]([H:11])=[C:5]([H:12])[O:6]1)\[H:7],"InChI=1S/C4H7NO/c5-4-2-1-3-6-4/h5H,1-3H2/b5-4-","InChI=1S/C4H5NO.H2/c5-4-2-1-3-6-4;/h1,3,5H,2H2;1H/b5-4-;",105.1098,27.58708,
1992,[N:1](=[C:2]1/[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[O:6]1)\[H:7],[N:1](=[C:2](/[C:3](=[C:4]([H:10])[H:11])[H:8])[O:6][C:5]([H:9])([H:12])[H:13])\[H:7],"InChI=1S/C4H7NO/c5-4-2-1-3-6-4/h5H,1-3H2/b5-4-","InChI=1S/C4H7NO/c1-3-4(5)6-2/h3,5H,1H2,2H3/b5-4-",91.42209,22.9328,
1993,[N:1](=[C:2]1/[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[O:6]1)\[H:7],[N:1]1([H:7])[C:2]([O:6][C:5]([C:4]([H:9])([H:10])[H:11])([H:12])[H:13])=[C:3]1[H:8],"InChI=1S/C4H7NO/c5-4-2-1-3-6-4/h5H,1-3H2/b5-4-","InChI=1S/C4H7NO/c1-2-6-4-3-5-4/h3,5H,2H2,1H3",87.1361,81.31288,
1994,[N:1](=[C:2]1/[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[O:6]1)\[H:7],[N:1]1([H:7])[C:2](=[C:3]([H:8])[H:9])[O:6][C:5]([H:12])([H:13])[C:4]1([H:10])[H:11],"InChI=1S/C4H7NO/c5-4-2-1-3-6-4/h5H,1-3H2/b5-4-","InChI=1S/C4H7NO/c1-4-5-2-3-6-4/h5H,1-3H2",87.8363,19.32395,
1995,[N:1](=[C:2]1/[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[O:6]1)\[H:7],[C:4]([C:5](=[O:6])[H:12])([H:10])([H:11])[H:13].[N:1](=[C:2]=[C:3]([H:8])[H:9])[H:7],"InChI=1S/C4H7NO/c5-4-2-1-3-6-4/h5H,1-3H2/b5-4-","InChI=1S/C2H3N.C2H4O/c2*1-2-3/h3H,1H2;2H,1H3",88.7027,33.2171,
1996,[N:1](=[C:2]1/[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[O:6]1)\[H:7],[N:1]([C:2]([C:3]([C:4](=[C:5]([H:12])[H:13])[H:11])([H:8])[H:9])=[O:6])([H:7])[H:10],"InChI=1S/C4H7NO/c5-4-2-1-3-6-4/h5H,1-3H2/b5-4-","InChI=1S/C4H7NO/c1-2-3-4(5)6/h2H,1,3H2,(H2,5,6)",67.54697,-3.17912,
1997,[N:1](=[C:2]1/[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[O:6]1)\[H:7],[H:9][H:12].[N:1](=[C:2]=[C:3]([C:4]([C:5](=[O:6])[H:13])([H:10])[H:11])[H:8])[H:7],"InChI=1S/C4H7NO/c5-4-2-1-3-6-4/h5H,1-3H2/b5-4-","InChI=1S/C4H5NO.H2/c5-3-1-2-4-6;/h1,4-5H,2H2;1H",77.65211,44.05235,
1998,[N:1](=[C:2]1/[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[O:6]1)\[H:7],[N:1]1([H:7])[C:2](=[O:6])[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5]1([H:12])[H:13],"InChI=1S/C4H7NO/c5-4-2-1-3-6-4/h5H,1-3H2/b5-4-","InChI=1S/C4H7NO/c6-4-2-1-3-5-4/h1-3H2,(H,5,6)",84.45585,-14.81536,ketoenol
1999,[N:1](=[C:2]1/[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[O:6]1)\[H:7],[H:7][H:12].[N:1]#[C:2][C:3]([C:4]([C:5](=[O:6])[H:13])([H:10])[H:11])([H:8])[H:9],"InChI=1S/C4H7NO/c5-4-2-1-3-6-4/h5H,1-3H2/b5-4-","InChI=1S/C4H5NO.H2/c5-3-1-2-4-6;/h4H,1-2H2;1H",78.84784,25.43904,
2000,[N:1](=[C:2]1/[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[O:6]1)\[H:7],[C:5](=[O:6])([H:12])[H:13].[N:1](=[C:2]1[C:3]([H:8])([H:9])[C:4]1([H:10])[H:11])[H:7],"InChI=1S/C4H7NO/c5-4-2-1-3-6-4/h5H,1-3H2/b5-4-","InChI=1S/C3H5N.CH2O/c4-3-1-2-3;1-2/h4H,1-2H2;1H2",92.35689,56.28937,
2001,[N:1](=[C:2]1/[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[O:6]1)\[H:7],[N:1]1([H:7])[C:2][C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[O:6]1,"InChI=1S/C4H7NO/c5-4-2-1-3-6-4/h5H,1-3H2/b5-4-","InChI=1S/C4H7NO/c1-2-4-6-5-3-1/h5H,1-2,4H2",88.95081,77.20274,
2002,[N:1](=[C:2]1/[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[O:6]1)\[H:7],[N:1]([C:2]1=[O+:6][C-:5]([H:13])[C:4]([H:10])([H:11])[C:3]1([H:8])[H:9])([H:7])[H:12],"InChI=1S/C4H7NO/c5-4-2-1-3-6-4/h5H,1-3H2/b5-4-","InChI=1S/C4H7NO/c5-4-2-1-3-6-4/h3H,1-2,5H2",95.76781,59.74998000000001,
2003,[N:1](=[C:2]1/[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[O:6]1)\[H:7],[N:1](=[C:2](/[C:3]([H:8])([H:9])[H:11])[O:6][C:5]([C:4][H:10])([H:12])[H:13])\[H:7],"InChI=1S/C4H7NO/c5-4-2-1-3-6-4/h5H,1-3H2/b5-4-","InChI=1S/C4H7NO/c1-3-6-4(2)5/h1,5H,3H2,2H3/b5-4-",93.55497,99.70103,
2004,[N:1](=[C:2]1/[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[O:6]1)\[H:7],[H:12][H:13].[N:1](=[C:2]1/[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C-:5]=[O+:6]1)\[H:7],"InChI=1S/C4H7NO/c5-4-2-1-3-6-4/h5H,1-3H2/b5-4-","InChI=1S/C4H5NO.H2/c5-4-2-1-3-6-4;/h5H,1-2H2;1H/b5-4-;",78.71135,73.17505,
2005,[N:1](=[C:2]1/[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[O:6]1)\[H:7],[C:5](=[O:6])([H:12])[H:13].[N:1]1([H:7])[C:2][C:3]([H:8])([H:9])[C:4]1([H:10])[H:11],"InChI=1S/C4H7NO/c5-4-2-1-3-6-4/h5H,1-3H2/b5-4-","InChI=1S/C3H5N.CH2O/c1-2-4-3-1;1-2/h4H,1-2H2;1H2",115.02351999999999,93.79312,
2006,[C:1]([C:2]([O:3][C:4](=[O:5])[H:11])([H:9])[H:10])([H:6])([H:7])[H:8],[C-:4]#[O+:5].[C:1]([C:2](=[O:3])[H:9])([H:6])([H:7])[H:8].[H:10][H:11],"InChI=1S/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3","InChI=1S/C2H4O.CO.H2/c1-2-3;1-2;/h2H,1H3;;1H",60.563140000000004,29.250740000000004,
2007,[C:1]([C:2]([O:3][C:4](=[O:5])[H:11])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1](=[C:2]([H:9])[H:10])([H:6])[H:7].[O:3]=[C:4]([O:5][H:8])[H:11],"InChI=1S/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3","InChI=1S/C2H4.CH2O2/c1-2;2-1-3/h1-2H2;1H,(H,2,3)",40.17284,13.861889999999999,Retroene
2008,[C:1]([C:2]([O:3][C:4](=[O:5])[H:11])([H:9])[H:10])([H:6])([H:7])[H:8],[C-:4]#[O+:5].[C:1]([C:2]([O:3][H:11])([H:9])[H:10])([H:6])([H:7])[H:8],"InChI=1S/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3","InChI=1S/C2H6O.CO/c1-2-3;1-2/h3H,2H2,1H3;",63.49598,12.5598,"1,2_Insertion_CO"
2009,[C:1]([C:2]([O:3][C:4](=[O:5])[H:11])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([C:2]([O+:3]=[C-:4][O:5][H:11])([H:9])[H:10])([H:6])([H:7])[H:8],"InChI=1S/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3","InChI=1S/C3H6O2/c1-2-5-3-4/h4H,2H2,1H3",75.31549,44.168820000000004,
2010,[C:1]([C:2]([O:3][C:4](=[O:5])[H:11])([H:9])[H:10])([H:6])([H:7])[H:8],[C-:2](=[O+:3][C:4](=[O:5])[H:11])[H:9].[C:1]([H:6])([H:7])([H:8])[H:10],"InChI=1S/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3",InChI=1S/C2H2O2.CH4/c1-4-2-3;/h1-2H;1H4,81.90348,82.0573,
2011,[C:1]([C:2]([C:3]([H:9])([H:10])[H:11])([C:4]([H:12])([H:13])[H:14])[O:5][H:15])([H:6])([H:7])[H:8],[C:1](=[C:2]([C:3]([H:9])([H:10])[H:11])[C:4]([H:12])([H:13])[H:14])([H:6])[H:8].[O:5]([H:7])[H:15],"InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3","InChI=1S/C4H8.H2O/c1-4(2)3;/h1H2,2-3H3;1H2",56.72416,13.2184,"1,3_Insertion_ROR"
2012,[C:1]([C:2]([C:3]([H:9])([H:10])[H:11])([C:4]([H:12])([H:13])[H:14])[O:5][H:15])([H:6])([H:7])[H:8],[C:1]([C:2]([C:4]([H:12])([H:13])[H:14])=[O:5])([C:3]([H:9])([H:10])[H:11])([H:6])[H:8].[H:7][H:15],"InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3","InChI=1S/C4H8O.H2/c1-3-4(2)5;/h3H2,1-2H3;1H",88.39174,18.01686,
2013,[C:1]([C:2]([C:3]([H:9])([H:10])[H:11])([C:4]([H:12])([H:13])[H:14])[O:5][H:15])([H:6])([H:7])[H:8],[C:1]([C:2][C:4]([H:12])([H:13])[H:14])([H:6])([H:7])[H:8].[C:3]([O:5][H:15])([H:9])([H:10])[H:11],"InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3","InChI=1S/C3H6.CH4O/c1-3-2;1-2/h1-2H3;2H,1H3",111.85937,103.38909,
2014,[C:1]([C:2]([C:3]([H:9])([H:10])[H:11])([C:4]([H:12])([H:13])[H:14])[O:5][H:15])([H:6])([H:7])[H:8],[C:1]([H:6])([H:7])([H:8])[H:11].[C:2](=[C:3]([H:9])[H:10])([C:4]([H:12])([H:13])[H:14])[O:5][H:15],"InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3","InChI=1S/C3H6O.CH4/c1-3(2)4;/h4H,1H2,2H3;1H4",96.63954,12.17097,
2015,[C:1]([n:2]1[c:3]([H:10])[n:4][c:5]([H:11])[n:6]1)([H:7])([H:8])[H:9],[C:1](=[N+:2]1[C:3]([H:9])([H:10])[N:4]=[C:5]([H:11])[N-:6]1)([H:7])[H:8],"InChI=1S/C3H5N3/c1-6-3-4-2-5-6/h2-3H,1H3","InChI=1S/C3H5N3/c1-6-3-4-2-5-6/h2H,1,3H2",93.39233,35.28621,
2016,[C:1]([n:2]1[c:3]([H:10])[n:4][c:5]([H:11])[n:6]1)([H:7])([H:8])[H:9],[C:1]([C@@:3]1([H:10])[N:2]=[N:6][C:5]([H:11])=[N:4]1)([H:7])([H:8])[H:9],"InChI=1S/C3H5N3/c1-6-3-4-2-5-6/h2-3H,1H3","InChI=1S/C3H5N3/c1-3-4-2-5-6-3/h2-3H,1H3/t3-/m1/s1",59.343309999999995,25.41001,
2017,[C:1]([n:2]1[c:3]([H:10])[n:4][c:5]([H:11])[n:6]1)([H:7])([H:8])[H:9],[C:1]([N-:2][N+:6]#[C:5][H:11])([H:7])([H:8])[H:9].[C:3](#[N:4])[H:10],"InChI=1S/C3H5N3/c1-6-3-4-2-5-6/h2-3H,1H3","InChI=1S/C2H4N2.CHN/c1-3-4-2;1-2/h1H,2H3;1H",76.55723,70.11001999999999,
2018,[C:1]([n:2]1[c:3]([H:10])[n:4][c:5]([H:11])[n:6]1)([H:7])([H:8])[H:9],[C:1](=[N+:2]1[C:3]([H:10])=[N:4][C:5]([H:9])([H:11])[N-:6]1)([H:7])[H:8],"InChI=1S/C3H5N3/c1-6-3-4-2-5-6/h2-3H,1H3","InChI=1S/C3H5N3/c1-6-3-4-2-5-6/h3H,1-2H2",100.30729000000001,46.29009,
2019,[C:1]([n:2]1[c:3]([H:10])[n:4][c:5]([H:11])[n:6]1)([H:7])([H:8])[H:9],[C:1]([n+:2]1[c:3]([H:10])[n:4]([H:11])[c-:5][n:6]1)([H:7])([H:8])[H:9],"InChI=1S/C3H5N3/c1-6-3-4-2-5-6/h2-3H,1H3","InChI=1S/C3H4N3/c1-6-3-4-2-5-6/h3H,1H3/q-1/p+1",83.31527,47.71025,
2020,[C:1]([n:2]1[c:3]([H:10])[n:4][c:5]([H:11])[n:6]1)([H:7])([H:8])[H:9],[C:1]([N:2](/[C:3](=[N:4]\[H:11])[H:10])[N+:6]#[C-:5])([H:7])([H:8])[H:9],"InChI=1S/C3H5N3/c1-6-3-4-2-5-6/h2-3H,1H3","InChI=1S/C3H5N3/c1-5-6(2)3-4/h3-4H,2H3/b4-3-",81.01818,56.12797,
2021,[C:1]([n:2]1[c:3]([H:10])[n:4][c:5]([H:11])[n:6]1)([H:7])([H:8])[H:9],[C:1]([N:2]1[C:3]([H:10])=[N+:4]=[C-:5][N:6]1[H:11])([H:7])([H:8])[H:9],"InChI=1S/C3H5N3/c1-6-3-4-2-5-6/h2-3H,1H3","InChI=1S/C3H5N3/c1-6-3-4-2-5-6/h3,5H,1H3",80.34648,55.695080000000004,
2022,[C:1]([n:2]1[c:3]([H:10])[n:4][c:5]([H:11])[n:6]1)([H:7])([H:8])[H:9],[C:1]([N:2]([N:6]=[C:5]([N+:4]#[C-:3])[H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C3H5N3/c1-6-3-4-2-5-6/h2-3H,1H3","InChI=1S/C3H5N3/c1-4-3-6-5-2/h3,5H,2H3",68.83207,46.57519,
2023,[C:1]([n:2]1[c:3]([H:10])[n:4][c:5]([H:11])[n:6]1)([H:7])([H:8])[H:9],[C:1]([n:4]1[c:3]([H:10])[n:2][n:6][c:5]1[H:11])([H:7])([H:8])[H:9],"InChI=1S/C3H5N3/c1-6-3-4-2-5-6/h2-3H,1H3","InChI=1S/C3H5N3/c1-6-2-4-5-3-6/h2-3H,1H3",59.61493000000001,8.01351,
2024,[C:1]([n:2]1[c:3]([H:10])[n:4][c:5]([H:11])[n:6]1)([H:7])([H:8])[H:9],[C:1]([N:2]=[C:3]([N:4]=[C:5]=[N:6][H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C3H5N3/c1-6-3-4-2-5-6/h2-3H,1H3","InChI=1S/C3H5N3/c1-5-3-6-2-4/h3-4H,1H3",75.64899,8.01308,
2025,[C:1]([n:2]1[c:3]([H:10])[n:4][c:5]([H:11])[n:6]1)([H:7])([H:8])[H:9],[C:1]([N:2]=[C:3]([N:4][C:5](=[N:6])[H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C3H5N3/c1-6-3-4-2-5-6/h2-3H,1H3","InChI=1S/C3H5N3/c1-5-3-6-2-4/h2-3H,1H3",79.2784,68.30426,
2026,[C:1]([n:2]1[c:3]([H:10])[n:4][c:5]([H:11])[n:6]1)([H:7])([H:8])[H:9],[C-:1]([n+:2]1[c:3]([H:10])[n:4][c:5]([H:11])[n:6]1[H:9])([H:7])[H:8],"InChI=1S/C3H5N3/c1-6-3-4-2-5-6/h2-3H,1H3","InChI=1S/C3H5N3/c1-6-3-4-2-5-6/h2-3H,1H2,(H,4,5)",69.33766,54.98732,
2027,[C:1]([n:2]1[c:3]([H:10])[n:4][c:5]([H:11])[n:6]1)([H:7])([H:8])[H:9],[C:1](/[N:2]=[C:3](/[N:4]1[C:5]([H:11])=[N:6]1)[H:10])([H:7])([H:8])[H:9],"InChI=1S/C3H5N3/c1-6-3-4-2-5-6/h2-3H,1H3","InChI=1S/C3H5N3/c1-4-2-6-3-5-6/h2-3H,1H3/b4-2+",79.24981,73.50797,
2028,[C:1]([n:2]1[c:3]([H:10])[n:4][c:5]([H:11])[n:6]1)([H:7])([H:8])[H:9],[C:1]([N:2]1[C:5]([H:11])=[N:6]1)([H:7])([H:8])[H:9].[C:3](#[N:4])[H:10],"InChI=1S/C3H5N3/c1-6-3-4-2-5-6/h2-3H,1H3","InChI=1S/C2H4N2.CHN/c1-4-2-3-4;1-2/h2H,1H3;1H",114.04126000000001,84.74931,
2029,[O:1]([C@:2]1([H:8])[C@:3]2([H:9])[C:4]([H:10])([H:11])[C@@:5]1([H:12])[O:6]2)[H:7],[O:1]([C@@:2]1([H:8])[C@@:3]([O:6][H:10])([H:9])[C:4]([H:11])=[C:5]1[H:12])[H:7],"InChI=1S/C4H6O2/c5-4-2-1-3(4)6-2/h2-5H,1H2/t2-,3+,4+","InChI=1S/C4H6O2/c5-3-1-2-4(3)6/h1-6H/t3-,4-/m1/s1",66.26207,-29.60185,
2030,[O:1]([C@:2]1([H:8])[C@:3]2([H:9])[C:4]([H:10])([H:11])[C@@:5]1([H:12])[O:6]2)[H:7],[O:1]([C@@:2]([C:3](=[C:4]([H:10])[H:11])[H:9])([C:5](=[O:6])[H:12])[H:8])[H:7],"InChI=1S/C4H6O2/c5-4-2-1-3(4)6-2/h2-5H,1H2/t2-,3+,4+","InChI=1S/C4H6O2/c1-2-4(6)3-5/h2-4,6H,1H2/t4-/m0/s1",32.59581,-44.77707,
2031,[O:1]([C@:2]1([H:8])[C@:3]2([H:9])[C:4]([H:10])([H:11])[C@@:5]1([H:12])[O:6]2)[H:7],[O:1](/[C:2](=[C:5](/[C:4]([C:3](=[O:6])[H:9])([H:10])[H:11])[H:12])[H:8])[H:7],"InChI=1S/C4H6O2/c5-4-2-1-3(4)6-2/h2-5H,1H2/t2-,3+,4+","InChI=1S/C4H6O2/c5-3-1-2-4-6/h1,3-5H,2H2/b3-1+",33.39687,-50.82569,
2032,[O:1]([C@:2]1([H:8])[C@:3]2([H:9])[C:4]([H:10])([H:11])[C@@:5]1([H:12])[O:6]2)[H:7],[O:1]([C@@:2]1([H:8])[C@:3]([C:4]([H:10])([H:11])[H:12])([H:9])[O+:6]=[C-:5]1)[H:7],"InChI=1S/C4H6O2/c5-4-2-1-3(4)6-2/h2-5H,1H2/t2-,3+,4+","InChI=1S/C4H6O2/c1-3-4(5)2-6-3/h3-5H,1H3/t3-,4-/m1/s1",55.85677,11.88681,
2033,[O:1]([C@:2]1([H:8])[C@:3]2([H:9])[C:4]([H:10])([H:11])[C@@:5]1([H:12])[O:6]2)[H:7],[O:1]([C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[C-:5]=[O+:6]1)([H:8])[H:12])[H:7],"InChI=1S/C4H6O2/c5-4-2-1-3(4)6-2/h2-5H,1H2/t2-,3+,4+","InChI=1S/C4H6O2/c5-3-4-1-2-6-4/h4-5H,1,3H2/t4-/m1/s1",47.896,16.1512,
2034,[O:1]([C@:2]1([H:8])[C@:3]2([H:9])[C:4]([H:10])([H:11])[C@@:5]1([H:12])[O:6]2)[H:7],[O:1]([C@:3]1([H:9])[C@:2]2([H:8])[C@:5]([H:12])([C:4]1([H:10])[H:11])[O:6]2)[H:7],"InChI=1S/C4H6O2/c5-4-2-1-3(4)6-2/h2-5H,1H2/t2-,3+,4+","InChI=1S/C4H6O2/c5-2-1-3-4(2)6-3/h2-5H,1H2/t2-,3-,4+/m0/s1",41.85915,-18.057170000000003,
2035,[O:1]([C@:2]1([H:8])[C@:3]2([H:9])[C:4]([H:10])([H:11])[C@@:5]1([H:12])[O:6]2)[H:7],[O:1]([C@@:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[O:6]1)([C:5][H:12])[H:8])[H:7],"InChI=1S/C4H6O2/c5-4-2-1-3(4)6-2/h2-5H,1H2/t2-,3+,4+","InChI=1S/C4H6O2/c1-3(5)4-2-6-4/h1,3-5H,2H2/t3-,4-/m1/s1",76.42099,55.75421,
2036,[O:1]([C@:2]1([H:8])[C@:3]2([H:9])[C:4]([H:10])([H:11])[C@@:5]1([H:12])[O:6]2)[H:7],[O:1]([C:2]1=[C:3]([H:9])[C:4]([H:10])([H:11])[C@@:5]1([O:6][H:8])[H:12])[H:7],"InChI=1S/C4H6O2/c5-4-2-1-3(4)6-2/h2-5H,1H2/t2-,3+,4+","InChI=1S/C4H6O2/c5-3-1-2-4(3)6/h1,4-6H,2H2/t4-/m0/s1",66.86234,-38.84926,
2037,[O:1]([C@:2]1([H:8])[C@:3]2([H:9])[C:4]([H:10])([H:11])[C@@:5]1([H:12])[O:6]2)[H:7],[C:2]1[C@:3]2([H:9])[C:4]([H:10])([H:11])[C@@:5]1([H:12])[O:6]2.[O:1]([H:7])[H:8],"InChI=1S/C4H6O2/c5-4-2-1-3(4)6-2/h2-5H,1H2/t2-,3+,4+","InChI=1S/C4H4O.H2O/c1-3-2-4(1)5-3;/h3-4H,1H2;1H2/t3-,4+;",68.15241999999999,67.36003000000001,
2038,[C:1]([C:2]([C@@:3]([C:4]([H:13])([H:14])[H:15])([C:5]#[N:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([H:9])([H:10])[H:11])([N:6]=[C:5]=[C:3]([C:4]([H:13])([H:14])[H:15])[H:12])([H:7])[H:8],"InChI=1S/C5H9N/c1-3-5(2)4-6/h5H,3H2,1-2H3/t5-/m1/s1","InChI=1S/C5H9N/c1-3-5-6-4-2/h3H,4H2,1-2H3",86.73456,24.68908,
2039,[C:1]([C:2]([C@@:3]([C:4]([H:13])([H:14])[H:15])([C:5]#[N:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C@@:3]([C:4]([H:13])([H:14])[H:15])([N+:6]#[C-:5])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H9N/c1-3-5(2)4-6/h5H,3H2,1-2H3/t5-/m1/s1","InChI=1S/C5H9N/c1-4-5(2)6-3/h5H,4H2,1-2H3/t5-/m1/s1",57.91358,24.47697,
2040,[C:1]([C:2]([C@@:3]([C:4]([H:13])([H:14])[H:15])([C:5]#[N:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([C-:5]=[N+:6]=[C:4]([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H9N/c1-3-5(2)4-6/h5H,3H2,1-2H3/t5-/m1/s1","InChI=1S/C5H9N/c1-3-4-5-6-2/h2-4H2,1H3",106.33551999999999,46.60348,
2041,[C:1]([C:2]([C@@:3]([C:4]([H:13])([H:14])[H:15])([C:5]#[N:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]([H:10])[H:11])([H:7])[H:9].[C:3]([C:4]([H:13])([H:14])[H:15])(=[C:5]=[N:6][H:8])[H:12],"InChI=1S/C5H9N/c1-3-5(2)4-6/h5H,3H2,1-2H3/t5-/m1/s1","InChI=1S/C3H5N.C2H4/c1-2-3-4;1-2/h2,4H,1H3;1-2H2",54.43873000000001,44.03862,Retroene
2042,[C:1]([C:2]([C@@:3]([C:4]([H:13])([H:14])[H:15])([C:5]#[N:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C+:3]=[C:5]=[N-:6])([H:10])[H:11])([H:7])([H:8])[H:9].[C:4]([H:12])([H:13])([H:14])[H:15],"InChI=1S/C5H9N/c1-3-5(2)4-6/h5H,3H2,1-2H3/t5-/m1/s1","InChI=1S/C4H5N.CH4/c1-2-3-4-5;/h2H2,1H3;1H4",79.61965,83.35406,
2043,[C:1]([C:2]([C@@:3]([C:4]([H:13])([H:14])[H:15])([C:5]#[N:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([C:5]1=[N:6][C:4]1([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H9N/c1-3-5(2)4-6/h5H,3H2,1-2H3/t5-/m1/s1","InChI=1S/C5H9N/c1-2-3-5-4-6-5/h2-4H2,1H3",106.3309,37.66506,
2044,[C:1]([C:2]([C@@:3]([C:4]([H:13])([H:14])[H:15])([C:5]#[N:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C@:2]1([H:11])[C:5]([C:3]([C:4]([H:13])([H:14])[H:15])([H:10])[H:12])=[N:6]1)([H:7])([H:8])[H:9],"InChI=1S/C5H9N/c1-3-5(2)4-6/h5H,3H2,1-2H3/t5-/m1/s1","InChI=1S/C5H9N/c1-3-5-4(2)6-5/h4H,3H2,1-2H3/t4-/m1/s1",92.29948,34.5839,
2045,[C:1]([C:2]([C@@:3]([C:4]([H:13])([H:14])[H:15])([C:5]#[N:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]1([H:7])([H:9])[C:2]([H:10])([H:11])[C@:3]([C:4]([H:13])([H:14])[H:15])([H:12])[C:5][N:6]1[H:8],"InChI=1S/C5H9N/c1-3-5(2)4-6/h5H,3H2,1-2H3/t5-/m1/s1","InChI=1S/C5H9N/c1-5-2-3-6-4-5/h5-6H,2-3H2,1H3/t5-/m1/s1",82.24478,46.88635,
2046,[O:1]([C:2]([C:3]#[C:4][C:5](=[O:6])[H:10])([H:8])[H:9])[H:7],[O:1]([C:4](=[C:3]=[C:2]([H:8])[H:9])[C:5](=[O:6])[H:10])[H:7],"InChI=1S/C4H4O2/c5-3-1-2-4-6/h3,6H,4H2","InChI=1S/C4H4O2/c1-2-4(6)3-5/h3,6H,1H2",56.28611,-11.0824,
2047,[O:1]([C:2]([C:3]#[C:4][C:5](=[O:6])[H:10])([H:8])[H:9])[H:7],[C:2](=[C:3]=[C:4]=[C:5]=[O:6])([H:8])[H:9].[O:1]([H:7])[H:10],"InChI=1S/C4H4O2/c5-3-1-2-4-6/h3,6H,4H2",InChI=1S/C4H2O.H2O/c1-2-3-4-5;/h1H2;1H2,53.76257,-0.83399,
2048,[O:1]([C:2]([C:3]#[C:4][C:5](=[O:6])[H:10])([H:8])[H:9])[H:7],[O:1]([C:2]([C:3](=[C:4]=[C:5]=[O:6])[H:10])([H:8])[H:9])[H:7],"InChI=1S/C4H4O2/c5-3-1-2-4-6/h3,6H,4H2","InChI=1S/C4H4O2/c5-3-1-2-4-6/h1,5H,3H2",71.85145,-8.09862,
2049,[O:1]([C:2]([C:3]#[C:4][C:5](=[O:6])[H:10])([H:8])[H:9])[H:7],[O:1]([C:2](=[C:3]=[C:4]([C:5](=[O:6])[H:10])[H:8])[H:9])[H:7],"InChI=1S/C4H4O2/c5-3-1-2-4-6/h3,6H,4H2","InChI=1S/C4H4O2/c5-3-1-2-4-6/h1,3-4,6H",65.94443000000001,-12.09966,
2050,[O:1]([C:2]([C:3]#[C:4][C:5](=[O:6])[H:10])([H:8])[H:9])[H:7],[O:1]([C:2]([C:3]([C:4]#[C:5][H:10])=[O:6])([H:8])[H:9])[H:7],"InChI=1S/C4H4O2/c5-3-1-2-4-6/h3,6H,4H2","InChI=1S/C4H4O2/c1-2-4(6)3-5/h1,5H,3H2",67.83905,-0.83919,
2051,[O:1]([C:2]([C:3]#[C:4][C:5](=[O:6])[H:10])([H:8])[H:9])[H:7],[O:1]([C:2]([C:3](=[C:4])[C:5](=[O:6])[H:10])([H:8])[H:9])[H:7],"InChI=1S/C4H4O2/c5-3-1-2-4-6/h3,6H,4H2","InChI=1S/C4H4O2/c1-4(2-5)3-6/h2,6H,3H2",50.01215,47.32586,
2052,[O:1]([C:2]([C:3]#[C:4][C:5](=[O:6])[H:10])([H:8])[H:9])[H:7],[H:7][H:10].[O:1]1[C:2]([H:8])([H:9])[C:3]1=[C:4]=[C:5]=[O:6],"InChI=1S/C4H4O2/c5-3-1-2-4-6/h3,6H,4H2",InChI=1S/C4H2O2.H2/c5-2-1-4-3-6-4;/h3H2;1H,60.349340000000005,27.11774,
2053,[O:1]([C:2]([C:3]#[C:4][C:5](=[O:6])[H:10])([H:8])[H:9])[H:7],[O:1]([C:3]1=[C:4]=[C:5]([H:10])[O:6][C:2]1([H:8])[H:9])[H:7],"InChI=1S/C4H4O2/c5-3-1-2-4-6/h3,6H,4H2","InChI=1S/C4H4O2/c5-4-1-2-6-3-4/h2,5H,3H2",77.31479,10.54903,
2054,[O:1]([C:2]([C:3]#[C:4][C:5](=[O:6])[H:10])([H:8])[H:9])[H:7],[O:1]1[C:2]([H:8])([H:9])[C:3]1=[C:4]=[C:5]([O:6][H:7])[H:10],"InChI=1S/C4H4O2/c5-3-1-2-4-6/h3,6H,4H2","InChI=1S/C4H4O2/c5-2-1-4-3-6-4/h2,5H,3H2",47.39547,17.48433,
2055,[O:1]([C:2]([C:3]#[C:4][C:5](=[O:6])[H:10])([H:8])[H:9])[H:7],[O:1]1[C:2]([H:8])([H:9])[C:3]#[C:4][C@@:5]1([O:6][H:7])[H:10],"InChI=1S/C4H4O2/c5-3-1-2-4-6/h3,6H,4H2","InChI=1S/C4H4O2/c5-4-2-1-3-6-4/h4-5H,3H2/t4-/m1/s1",70.5409,63.2107,
2056,[O:1]([C:2]([C:3]#[C:4][C:5](=[O:6])[H:10])([H:8])[H:9])[H:7],[O:1]([C:2](=[C:3]=[C:4]=[C:5]([O:6][H:8])[H:10])[H:9])[H:7],"InChI=1S/C4H4O2/c5-3-1-2-4-6/h3,6H,4H2",InChI=1S/C4H4O2/c5-3-1-2-4-6/h3-6H,51.50271,2.5680099999999997,
2057,[O:1]([C:2]([C:3]#[C:4][C:5](=[O:6])[H:10])([H:8])[H:9])[H:7],[O:1]1[C:2]([H:8])([H:9])[C:3][C@:4]1([C:5](=[O:6])[H:10])[H:7],"InChI=1S/C4H4O2/c5-3-1-2-4-6/h3,6H,4H2","InChI=1S/C4H4O2/c5-3-4-1-2-6-4/h3-4H,2H2/t4-/m0/s1",88.92925,73.09905,
2058,[O:1]([C:2]([C:3]#[C:4][C:5](=[O:6])[H:10])([H:8])[H:9])[H:7],[H:8][H:10].[O:1]([C:2](=[C:3]=[C:4]=[C:5]=[O:6])[H:9])[H:7],"InChI=1S/C4H4O2/c5-3-1-2-4-6/h3,6H,4H2","InChI=1S/C4H2O2.H2/c5-3-1-2-4-6;/h3,5H;1H",50.3769,23.13368,
2059,[O:1]([C:2]([C:3]#[C:4][C:5](=[O:6])[H:10])([H:8])[H:9])[H:7],[C:5](=[O:6])([H:8])[H:10].[O:1]([C+:2]([C:3]#[C-:4])[H:9])[H:7],"InChI=1S/C4H4O2/c5-3-1-2-4-6/h3,6H,4H2",InChI=1S/C3H2O.CH2O/c1-2-3-4;1-2/h3-4H;1H2,85.93909000000001,68.84911,
2060,[O:1]=[C:2]([O:3][C:4]([C:5]#[N:6])([H:8])[H:9])[H:7],[O:1]=[C:2]([N+:6]#[C-:5])[H:7].[O:3]=[C:4]([H:8])[H:9],"InChI=1S/C3H3NO2/c4-1-2-6-3-5/h3H,2H2",InChI=1S/C2HNO.CH2O/c1-3-2-4;1-2/h2H;1H2,63.460390000000004,48.885090000000005,
2061,[O:1]=[C:2]([O:3][C:4]([C:5]#[N:6])([H:8])[H:9])[H:7],[H:7][H:9].[O+:1]#[C-:2].[O:3]=[C:4]([C:5]#[N:6])[H:8],"InChI=1S/C3H3NO2/c4-1-2-6-3-5/h3H,2H2",InChI=1S/C2HNO.CO.H2/c3-1-2-4;1-2;/h2H;;1H,60.105169999999994,32.76641,
2062,[O:1]=[C:2]([O:3][C:4]([C:5]#[N:6])([H:8])[H:9])[H:7],[O:1]([C:2](=[O:3])[H:7])[C:5]1=[N:6][C:4]1([H:8])[H:9],"InChI=1S/C3H3NO2/c4-1-2-6-3-5/h3H,2H2","InChI=1S/C3H3NO2/c5-2-6-3-1-4-3/h2H,1H2",55.710119999999996,34.74241,
2063,[O:1]=[C:2]([O:3][C:4]([C:5]#[N:6])([H:8])[H:9])[H:7],[O:1]([C:2](=[O:3])[H:7])[N:6]=[C:5]=[C:4]([H:8])[H:9],"InChI=1S/C3H3NO2/c4-1-2-6-3-5/h3H,2H2","InChI=1S/C3H3NO2/c1-2-4-6-3-5/h3H,1H2",62.793690000000005,49.61913,
2064,[O:1]=[C:2]([O:3][C:4]([C:5]#[N:6])([H:8])[H:9])[H:7],[O:1]=[C:2]1[O:3][C:4]([H:8])([H:9])[C-:5]=[N+:6]1[H:7],"InChI=1S/C3H3NO2/c4-1-2-6-3-5/h3H,2H2","InChI=1S/C3H3NO2/c5-3-4-1-2-6-3/h4H,2H2",67.87071,21.4017,
2065,[O:1]=[C:2]([O:3][C:4]([C:5]#[N:6])([H:8])[H:9])[H:7],[O:1]=[C:2]([O:3][C:4]([N+:6]#[C-:5])([H:8])[H:9])[H:7],"InChI=1S/C3H3NO2/c4-1-2-6-3-5/h3H,2H2","InChI=1S/C3H3NO2/c1-4-2-6-3-5/h3H,2H2",56.95414,23.37519,
2066,[O:1]=[C:2]([O:3][C:4]([C:5]#[N:6])([H:8])[H:9])[H:7],[O:1]=[C:5]1[C:4]([H:8])([H:9])[O:3][C:2]([H:7])=[N:6]1,"InChI=1S/C3H3NO2/c4-1-2-6-3-5/h3H,2H2","InChI=1S/C3H3NO2/c5-3-1-6-2-4-3/h2H,1H2",118.51073000000001,-6.854939999999999,
2067,[O:1]=[C:2]([O:3][C:4]([C:5]#[N:6])([H:8])[H:9])[H:7],[O:1]([C-:2]=[O+:3][C:4]([C:5]#[N:6])([H:8])[H:9])[H:7],"InChI=1S/C3H3NO2/c4-1-2-6-3-5/h3H,2H2","InChI=1S/C3H3NO2/c4-1-2-6-3-5/h5H,2H2",74.77346999999999,43.09006,
2068,[O:1]=[C:2]([O:3][C:4]([C:5]#[N:6])([H:8])[H:9])[H:7],[C:5]=[N:6][H:9].[o+:1]1[c-:2]([H:7])[o:3][c:4]1[H:8],"InChI=1S/C3H3NO2/c4-1-2-6-3-5/h3H,2H2",InChI=1S/C2H2O2.CHN/c1-3-2-4-1;1-2/h1-2H;2H,105.48931999999999,108.29988999999999,
2069,[N:1]([C:2](=[O:3])[C:4]([C:5](=[O:6])[H:11])([H:9])[H:10])([H:7])[H:8],[N:1]([C:2](=[O:3])/[C:4](=[C:5](/[O:6][H:10])[H:11])[H:9])([H:7])[H:8],"InChI=1S/C3H5NO2/c4-3(6)1-2-5/h2H,1H2,(H2,4,6)","InChI=1S/C3H5NO2/c4-3(6)1-2-5/h1-2,5H,(H2,4,6)/b2-1+",56.28083,-0.06089,ketoenol
2070,[N:1]([C:2](=[O:3])[C:4]([C:5](=[O:6])[H:11])([H:9])[H:10])([H:7])[H:8],[C:4]([C:5](=[O:6])[H:11])([H:7])([H:9])[H:10].[N:1](=[C:2]=[O:3])[H:8],"InChI=1S/C3H5NO2/c4-3(6)1-2-5/h2H,1H2,(H2,4,6)","InChI=1S/C2H4O.CHNO/c1-2-3;2-1-3/h2H,1H3;2H",66.36806999999999,8.843580000000001,
2071,[N:1]([C:2](=[O:3])[C:4]([C:5](=[O:6])[H:11])([H:9])[H:10])([H:7])[H:8],[N:1]([C:2](=[O:3])[O:6][C:5](=[C:4]([H:9])[H:10])[H:11])([H:7])[H:8],"InChI=1S/C3H5NO2/c4-3(6)1-2-5/h2H,1H2,(H2,4,6)","InChI=1S/C3H5NO2/c1-2-6-3(4)5/h2H,1H2,(H2,4,5)",54.127590000000005,2.55661,ketoenol
2072,[N:1]([C:2](=[O:3])[C:4]([C:5](=[O:6])[H:11])([H:9])[H:10])([H:7])[H:8],[C:2](=[O:3])=[C:4]([H:9])[H:10].[N:1]([C:5](=[O:6])[H:11])([H:7])[H:8],"InChI=1S/C3H5NO2/c4-3(6)1-2-5/h2H,1H2,(H2,4,6)","InChI=1S/C2H2O.CH3NO/c1-2-3;2-1-3/h1H2;1H,(H2,2,3)",47.485209999999995,19.1639,
2073,[N:1]([C:2](=[O:3])[C:4]([C:5](=[O:6])[H:11])([H:9])[H:10])([H:7])[H:8],[N:1]([C:2]([O:3][C:5](=[O:6])[H:11])=[C:4]([H:9])[H:10])([H:7])[H:8],"InChI=1S/C3H5NO2/c4-3(6)1-2-5/h2H,1H2,(H2,4,6)","InChI=1S/C3H5NO2/c1-3(4)6-2-5/h2H,1,4H2",39.78098,15.86059,ketoenol
2074,[N:1]([C:2](=[O:3])[C:4]([C:5](=[O:6])[H:11])([H:9])[H:10])([H:7])[H:8],[N:1]([C:2](=[O:3])[C:4]([O+:6]=[C-:5][H:11])([H:9])[H:10])([H:7])[H:8],"InChI=1S/C3H5NO2/c4-3(6)1-2-5/h2H,1H2,(H2,4,6)","InChI=1S/C3H5NO2/c1-6-2-3(4)5/h1H,2H2,(H2,4,5)",105.24211000000001,72.09253000000001,
2075,[N:1]([C:2](=[O:3])[C:4]([C:5](=[O:6])[H:11])([H:9])[H:10])([H:7])[H:8],[C-:5]#[O+:6].[N:1]([C:2]([O:3][H:11])=[C:4]([H:9])[H:10])([H:7])[H:8],"InChI=1S/C3H5NO2/c4-3(6)1-2-5/h2H,1H2,(H2,4,6)","InChI=1S/C2H5NO.CO/c1-2(3)4;1-2/h4H,1,3H2;",38.80365,18.95188,
2076,[N:1]([C:2](=[O:3])[C:4]([C:5](=[O:6])[H:11])([H:9])[H:10])([H:7])[H:8],[N:1]([C:2](=[O:3])[C:5]([C:4]([H:9])([H:10])[H:11])=[O:6])([H:7])[H:8],"InChI=1S/C3H5NO2/c4-3(6)1-2-5/h2H,1H2,(H2,4,6)","InChI=1S/C3H5NO2/c1-2(5)3(4)6/h1H3,(H2,4,6)",62.11402,-8.27625,
2077,[N:1]([C:2](=[O:3])[C:4]([C:5](=[O:6])[H:11])([H:9])[H:10])([H:7])[H:8],[N:1]([C-:2]=[O+:3][C:4]([C:5](=[O:6])[H:11])([H:9])[H:10])([H:7])[H:8],"InChI=1S/C3H5NO2/c4-3(6)1-2-5/h2H,1H2,(H2,4,6)","InChI=1S/C3H5NO2/c4-3-6-2-1-5/h1H,2,4H2",97.96064,55.387480000000004,
2078,[N:1]([C:2](=[O:3])[C:4]([C:5](=[O:6])[H:11])([H:9])[H:10])([H:7])[H:8],[N:1]([C@@:2]1([O+:6]=[C-:5][H:11])[O:3][C:4]1([H:9])[H:10])([H:7])[H:8],"InChI=1S/C3H5NO2/c4-3(6)1-2-5/h2H,1H2,(H2,4,6)","InChI=1S/C3H5NO2/c1-5-3(4)2-6-3/h1H,2,4H2/t3-/m0/s1",114.05028999999999,101.97508,
2079,[N:1]([C:2](=[O:3])[C:4]([C:5](=[O:6])[H:11])([H:9])[H:10])([H:7])[H:8],[C-:5]#[O+:6].[C:2](=[O:3])=[C:4]([H:9])[H:10].[N:1]([H:7])([H:8])[H:11],"InChI=1S/C3H5NO2/c4-3(6)1-2-5/h2H,1H2,(H2,4,6)",InChI=1S/C2H2O.CO.H3N/c1-2-3;1-2;/h1H2;;1H3,47.88194,30.76104,
2080,[N:1]([C:2](=[O:3])[C:4]([C:5](=[O:6])[H:11])([H:9])[H:10])([H:7])[H:8],[N:1](=[C:2](/[O:3][H:8])[C:4]([C:5](=[O:6])[H:11])([H:9])[H:10])\[H:7],"InChI=1S/C3H5NO2/c4-3(6)1-2-5/h2H,1H2,(H2,4,6)","InChI=1S/C3H5NO2/c4-3(6)1-2-5/h2H,1H2,(H2,4,6)",39.540659999999995,8.34255,ketoenol
2081,[N:1]([C:2](=[O:3])[C:4]([C:5](=[O:6])[H:11])([H:9])[H:10])([H:7])[H:8],[C:4](=[C:5]([O:6][H:7])[H:11])([H:9])[H:10].[N:1](=[C:2]=[O:3])[H:8],"InChI=1S/C3H5NO2/c4-3(6)1-2-5/h2H,1H2,(H2,4,6)","InChI=1S/C2H4O.CHNO/c1-2-3;2-1-3/h2-3H,1H2;2H",28.473640000000003,15.71751,Retroene
2082,[N:1]([C:2](=[O:3])[C:4]([C:5](=[O:6])[H:11])([H:9])[H:10])([H:7])[H:8],[N:1]([C-:2]=[O+:3][C@@:5]1([H:11])[C:4]([H:9])([H:10])[O:6]1)([H:7])[H:8],"InChI=1S/C3H5NO2/c4-3(6)1-2-5/h2H,1H2,(H2,4,6)","InChI=1S/C3H5NO2/c4-2-6-3-1-5-3/h3H,1,4H2/t3-/m0/s1",94.71472,73.81728000000001,
2083,[N:1]([C:2](=[O:3])[C:4]([C:5](=[O:6])[H:11])([H:9])[H:10])([H:7])[H:8],[N:1](/[C:2]([O:3][H:10])=[C:4](/[C:5](=[O:6])[H:11])[H:9])([H:7])[H:8],"InChI=1S/C3H5NO2/c4-3(6)1-2-5/h2H,1H2,(H2,4,6)","InChI=1S/C3H5NO2/c4-3(6)1-2-5/h1-2,6H,4H2/b3-1-",48.5285,6.921289999999999,ketoenol
2084,[N:1]([C:2](=[O:3])[C:4]([C:5](=[O:6])[H:11])([H:9])[H:10])([H:7])[H:8],[C:2](=[O:3])=[C:4]([C:5](=[O:6])[H:11])[H:9].[N:1]([H:7])([H:8])[H:10],"InChI=1S/C3H5NO2/c4-3(6)1-2-5/h2H,1H2,(H2,4,6)",InChI=1S/C3H2O2.H3N/c4-2-1-3-5;/h1-2H;1H3,57.942519999999995,24.959529999999997,"1,3_NH3_elimination"
2085,[N:1]([C:2](=[O:3])[C:4]([C:5](=[O:6])[H:11])([H:9])[H:10])([H:7])[H:8],[H:8][H:10].[N:1](=[C:2]1\[O:3][C@:4]1([C:5](=[O:6])[H:11])[H:9])\[H:7],"InChI=1S/C3H5NO2/c4-3(6)1-2-5/h2H,1H2,(H2,4,6)","InChI=1S/C3H3NO2.H2/c4-3-2(1-5)6-3;/h1-2,4H;1H/b4-3-;/t2-;/m0./s1",90.38197,64.99229,
2086,[N:1]([C:2](=[O:3])[C@@:4]1([H:9])[C:5]([H:10])([H:11])[O:6]1)([H:7])[H:8],[N:1]([C:2]([O-:3])=[C:4]=[O+:6][C:5]([H:9])([H:10])[H:11])([H:7])[H:8],"InChI=1S/C3H5NO2/c4-3(5)2-1-6-2/h2H,1H2,(H2,4,5)/t2-/m1/s1","InChI=1S/C3H5NO2/c1-6-2-3(4)5/h4H2,1H3",76.28474,41.79053,
2087,[N:1]([C:2](=[O:3])[C@@:4]1([H:9])[C:5]([H:10])([H:11])[O:6]1)([H:7])[H:8],[N:1]([C:2](=[O:3])[C:4]([O+:6]=[C-:5][H:10])([H:9])[H:11])([H:7])[H:8],"InChI=1S/C3H5NO2/c4-3(5)2-1-6-2/h2H,1H2,(H2,4,5)/t2-/m1/s1","InChI=1S/C3H5NO2/c1-6-2-3(4)5/h1H,2H2,(H2,4,5)",75.47601999999999,49.96314,
2088,[N:1]([C:2](=[O:3])[C@@:4]1([H:9])[C:5]([H:10])([H:11])[O:6]1)([H:7])[H:8],[N:1]([C:2]([O-:3])=[C:4]([O+:6]=[C:5]([H:10])[H:11])[H:9])([H:7])[H:8],"InChI=1S/C3H5NO2/c4-3(5)2-1-6-2/h2H,1H2,(H2,4,5)/t2-/m1/s1","InChI=1S/C3H5NO2/c1-6-2-3(4)5/h2H,1,4H2",51.301829999999995,35.02218,
2089,[N:1]([C:2](=[O:3])[C@@:4]1([H:9])[C:5]([H:10])([H:11])[O:6]1)([H:7])[H:8],[N:1]([C@@:2]1([H:9])[O:3][C@:4]12[C:5]([H:10])([H:11])[O:6]2)([H:7])[H:8],"InChI=1S/C3H5NO2/c4-3(5)2-1-6-2/h2H,1H2,(H2,4,5)/t2-/m1/s1","InChI=1S/C3H5NO2/c4-2-3(6-2)1-5-3/h2H,1,4H2/t2-,3+/m0/s1",87.76543000000001,40.698409999999996,
2090,[N:1]([C:2](=[O:3])[C@@:4]1([H:9])[C:5]([H:10])([H:11])[O:6]1)([H:7])[H:8],[C:4]1([H:7])([H:9])[C:5]([H:10])([H:11])[O:6]1.[N:1](=[C:2]=[O:3])[H:8],"InChI=1S/C3H5NO2/c4-3(5)2-1-6-2/h2H,1H2,(H2,4,5)/t2-/m1/s1",InChI=1S/C2H4O.CHNO/c1-2-3-1;2-1-3/h1-2H2;2H,75.21491,16.06938,
2091,[N:1]([C:2](=[O:3])[C@@:4]1([H:9])[C:5]([H:10])([H:11])[O:6]1)([H:7])[H:8],[N:1]([C@@:2]1([C:4](=[O:6])[H:9])[O:3][C:5]1([H:10])[H:11])([H:7])[H:8],"InChI=1S/C3H5NO2/c4-3(5)2-1-6-2/h2H,1H2,(H2,4,5)/t2-/m1/s1","InChI=1S/C3H5NO2/c4-3(1-5)2-6-3/h1H,2,4H2/t3-/m0/s1",54.76492,18.43427,
2092,[N:1]([C:2](=[O:3])[C@@:4]1([H:9])[C:5]([H:10])([H:11])[O:6]1)([H:7])[H:8],[H:7][H:9].[N:1](=[C:2]1\[O:3][C@:4]12[C:5]([H:10])([H:11])[O:6]2)\[H:8],"InChI=1S/C3H5NO2/c4-3(5)2-1-6-2/h2H,1H2,(H2,4,5)/t2-/m1/s1","InChI=1S/C3H3NO2.H2/c4-2-3(6-2)1-5-3;/h4H,1H2;1H/b4-2-;/t3-;/m1./s1",81.46757,67.87324,
2093,[N:1]([C:2](=[O:3])[C@@:4]1([H:9])[C:5]([H:10])([H:11])[O:6]1)([H:7])[H:8],[N:1]([C-:2]=[O+:3][C@@:4]1([H:9])[C:5]([H:10])([H:11])[O:6]1)([H:7])[H:8],"InChI=1S/C3H5NO2/c4-3(5)2-1-6-2/h2H,1H2,(H2,4,5)/t2-/m1/s1","InChI=1S/C3H5NO2/c4-2-6-3-1-5-3/h3H,1,4H2/t3-/m0/s1",90.46641,52.81521,
2094,[N:1]([C:2](=[O:3])[C@@:4]1([H:9])[C:5]([H:10])([H:11])[O:6]1)([H:7])[H:8],[N:1](/[C:2]([O:3][H:9])=[C:4]1/[C:5]([H:10])([H:11])[O:6]1)([H:7])[H:8],"InChI=1S/C3H5NO2/c4-3(5)2-1-6-2/h2H,1H2,(H2,4,5)/t2-/m1/s1","InChI=1S/C3H5NO2/c4-3(5)2-1-6-2/h5H,1,4H2/b3-2+",62.91692,36.97977,ketoenol
2095,[N:1]([C:2](=[O:3])[C@@:4]1([H:9])[C:5]([H:10])([H:11])[O:6]1)([H:7])[H:8],[H:7][H:8].[N:1]=[C:2]([O:3])[C@@:4]1([H:9])[C:5]([H:10])([H:11])[O:6]1,"InChI=1S/C3H5NO2/c4-3(5)2-1-6-2/h2H,1H2,(H2,4,5)/t2-/m1/s1","InChI=1S/C3H3NO2.H2/c4-3(5)2-1-6-2;/h2H,1H2;1H/t2-;/m1./s1",97.69949,102.8421,ketoenol
2096,[N:1]([C:2](=[O:3])[C@@:4]1([H:9])[C:5]([H:10])([H:11])[O:6]1)([H:7])[H:8],[N:1](=[C:2](/[O:3][H:7])[C@@:4]1([H:9])[C:5]([H:10])([H:11])[O:6]1)\[H:8],"InChI=1S/C3H5NO2/c4-3(5)2-1-6-2/h2H,1H2,(H2,4,5)/t2-/m1/s1","InChI=1S/C3H5NO2/c4-3(5)2-1-6-2/h2H,1H2,(H2,4,5)/t2-/m1/s1",42.91239,10.68374,ketoenol
2097,[N:1]([C:2](=[O:3])[C@@:4]1([H:9])[C:5]([H:10])([H:11])[O:6]1)([H:7])[H:8],[N:1]([C-:2]([O:3][H:10])[C@@:4]1([H:9])[C:5]([H:11])=[O+:6]1)([H:7])[H:8],"InChI=1S/C3H5NO2/c4-3(5)2-1-6-2/h2H,1H2,(H2,4,5)/t2-/m1/s1","InChI=1S/C3H5NO2/c4-3(5)2-1-6-2/h1-2,5H,4H2/t2-/m1/s1",99.82605,70.50777,
2098,[N:1]([C:2](=[O:3])[C@@:4]1([H:9])[C:5]([H:10])([H:11])[O:6]1)([H:7])[H:8],[N:1]([C:2](=[O:3])[C@@:4]([C:5][H:11])([O:6][H:10])[H:9])([H:7])[H:8],"InChI=1S/C3H5NO2/c4-3(5)2-1-6-2/h2H,1H2,(H2,4,5)/t2-/m1/s1","InChI=1S/C3H5NO2/c1-2(5)3(4)6/h1-2,5H,(H2,4,6)/t2-/m1/s1",71.82902,71.21634,
2099,[N:1]([C:2](=[O:3])[C@@:4]1([H:9])[C:5]([H:10])([H:11])[O:6]1)([H:7])[H:8],[N:1](=[C:2]1\[O:3][C@:4]1([C:5]([O:6][H:7])([H:10])[H:11])[H:9])\[H:8],"InChI=1S/C3H5NO2/c4-3(5)2-1-6-2/h2H,1H2,(H2,4,5)/t2-/m1/s1","InChI=1S/C3H5NO2/c4-3-2(1-5)6-3/h2,4-5H,1H2/b4-3-/t2-/m0/s1",43.82582,24.78061,
2100,[N:1]([C:2](=[O:3])[C@@:4]1([H:9])[C:5]([H:10])([H:11])[O:6]1)([H:7])[H:8],[N:1]([C:2](=[O+:3][O-:6])[C:4](=[C:5]([H:10])[H:11])[H:9])([H:7])[H:8],"InChI=1S/C3H5NO2/c4-3(5)2-1-6-2/h2H,1H2,(H2,4,5)/t2-/m1/s1","InChI=1S/C3H5NO2/c1-2-3(4)6-5/h2H,1,4H2",106.17071999999999,80.36856999999999,
2101,[N:1]([C:2](=[O:3])[C@@:4]1([H:9])[C:5]([H:10])([H:11])[O:6]1)([H:7])[H:8],[C:2](=[O:3])=[C:4]1[C:5]([H:10])([H:11])[O:6]1.[N:1]([H:7])([H:8])[H:9],"InChI=1S/C3H5NO2/c4-3(5)2-1-6-2/h2H,1H2,(H2,4,5)/t2-/m1/s1",InChI=1S/C3H2O2.H3N/c4-1-3-2-5-3;/h2H2;1H3,78.73031,56.75906,"1,3_NH3_elimination"
2102,[N:1]([C:2](=[O:3])[C@@:4]1([H:9])[C:5]([H:10])([H:11])[O:6]1)([H:7])[H:8],[N:1](/[C:2]([O:3][H:11])=[C:4](/[O+:6]=[C-:5][H:10])[H:9])([H:7])[H:8],"InChI=1S/C3H5NO2/c4-3(5)2-1-6-2/h2H,1H2,(H2,4,5)/t2-/m1/s1","InChI=1S/C3H5NO2/c1-6-2-3(4)5/h1-2,5H,4H2/b3-2-",85.58105,68.12363,
2103,[N:1]([C:2](=[O:3])[C@@:4]1([H:9])[C:5]([H:10])([H:11])[O:6]1)([H:7])[H:8],[N:1]([C:2]([O-:3])=[C+:4][C:5]([O:6][H:9])([H:10])[H:11])([H:7])[H:8],"InChI=1S/C3H5NO2/c4-3(5)2-1-6-2/h2H,1H2,(H2,4,5)/t2-/m1/s1","InChI=1S/C3H5NO2/c4-3(6)1-2-5/h5H,2,4H2",65.59419,57.68101,
2104,[C:1](#[C:2][C@@:3]1([H:7])[C:4]([H:8])([H:9])[O:5]1)[H:6],[C:1]1([H:6])=[C:2]=[C:3]([H:7])[C:4]([H:8])([H:9])[O:5]1,"InChI=1S/C4H4O/c1-2-4-3-5-4/h1,4H,3H2/t4-/m0/s1","InChI=1S/C4H4O/c1-2-4-5-3-1/h1,4H,3H2",56.06288000000001,8.721630000000001,
2105,[C:1](#[C:2][C@@:3]1([H:7])[C:4]([H:8])([H:9])[O:5]1)[H:6],[C:1](=[C:2])([C@@:3]1([H:7])[C:4]([H:8])([H:9])[O:5]1)[H:6],"InChI=1S/C4H4O/c1-2-4-3-5-4/h1,4H,3H2/t4-/m0/s1","InChI=1S/C4H4O/c1-2-4-3-5-4/h2,4H,3H2/t4-/m0/s1",54.64069,51.410990000000005,Singlet_Carbene_Intra_Disproportionation
2106,[C:1](#[C:2][C@@:3]1([H:7])[C:4]([H:8])([H:9])[O:5]1)[H:6],[C:1](/[C:2](=[C:3]1/[C:4]([H:8])([H:9])[O:5]1)[H:7])[H:6],"InChI=1S/C4H4O/c1-2-4-3-5-4/h1,4H,3H2/t4-/m0/s1","InChI=1S/C4H4O/c1-2-4-3-5-4/h1-2H,3H2/b4-2-",69.2014,54.72858000000001,
2107,[C:1](#[C:2][C@@:3]1([H:7])[C:4]([H:8])([H:9])[O:5]1)[H:6],[C:1](#[C:2][C:3]([O+:5]=[C-:4][H:9])([H:7])[H:8])[H:6],"InChI=1S/C4H4O/c1-2-4-3-5-4/h1,4H,3H2/t4-/m0/s1","InChI=1S/C4H4O/c1-3-4-5-2/h1-2H,4H2",79.38696,47.86176,
2108,[C:1](#[C:2][C@@:3]1([H:7])[C:4]([H:8])([H:9])[O:5]1)[H:6],[C+:1](=[C:2]=[C-:3][C:4]([O:5][H:7])([H:8])[H:9])[H:6],"InChI=1S/C4H4O/c1-2-4-3-5-4/h1,4H,3H2/t4-/m0/s1","InChI=1S/C4H4O/c1-2-3-4-5/h1,5H,4H2",57.8407,42.21613,
2109,[C:1](#[C:2][C@@:3]1([H:7])[C:4]([H:8])([H:9])[O:5]1)[H:6],[C:1](=[C:2]=[C:3]1[C:4]([H:8])([H:9])[O:5]1)([H:6])[H:7],"InChI=1S/C4H4O/c1-2-4-3-5-4/h1,4H,3H2/t4-/m0/s1","InChI=1S/C4H4O/c1-2-4-3-5-4/h1,3H2",83.41364,0.05719,
2110,[C:1](#[C:2][C@@:3]1([H:7])[C:4]([H:8])([H:9])[O:5]1)[H:6],[C:1](#[C:2][C:3](=[O+:5][C-:4]([H:8])[H:9])[H:7])[H:6],"InChI=1S/C4H4O/c1-2-4-3-5-4/h1,4H,3H2/t4-/m0/s1","InChI=1S/C4H4O/c1-3-4-5-2/h1,4H,2H2",41.87277,31.19545,
2111,[C:1](#[C:2][C@@:3]1([H:7])[C:4]([H:8])([H:9])[O:5]1)[H:6],[C:1](#[C:2][C-:3]=[O+:5][C:4]([H:7])([H:8])[H:9])[H:6],"InChI=1S/C4H4O/c1-2-4-3-5-4/h1,4H,3H2/t4-/m0/s1","InChI=1S/C4H4O/c1-3-4-5-2/h1H,2H3",68.16707,33.34758,
2112,[C:1](#[C:2][C@@:3]1([H:7])[C:4]([H:8])([H:9])[O:5]1)[H:6],[C:1](=[C:2]=[C:3]([C:4](=[O:5])[H:9])[H:7])([H:6])[H:8],"InChI=1S/C4H4O/c1-2-4-3-5-4/h1,4H,3H2/t4-/m0/s1","InChI=1S/C4H4O/c1-2-3-4-5/h3-4H,1H2",71.13418,-33.08274,
2113,[C:1](#[C:2][C@@:3]1([H:7])[C:4]([H:8])([H:9])[O:5]1)[H:6],[C:1](#[C:2][C@@:3]([C:4][H:9])([O:5][H:8])[H:7])[H:6],"InChI=1S/C4H4O/c1-2-4-3-5-4/h1,4H,3H2/t4-/m0/s1","InChI=1S/C4H4O/c1-3-4(2)5/h1-2,4-5H/t4-/m1/s1",70.3403,68.36489,
2114,[O:1]([N:2]=[C:3]1[C:4]([H:8])([H:9])[N:5]([H:10])[C:6]1([H:11])[H:12])[H:7],[H:7][H:11].[O:1]=[N:2][C:3]1=[C:6]([H:12])[N:5]([H:10])[C:4]1([H:8])[H:9],"InChI=1S/C3H6N2O/c6-5-3-1-4-2-3/h4,6H,1-2H2","InChI=1S/C3H4N2O.H2/c6-5-3-1-4-2-3;/h1,4H,2H2;1H",46.86541,42.018809999999995,
2115,[O:1]([N:2]=[C:3]1[C:4]([H:8])([H:9])[N:5]([H:10])[C:6]1([H:11])[H:12])[H:7],[O:1]([N:2]([C:3]1=[C:6]([H:12])[N:5]([H:10])[C:4]1([H:8])[H:9])[H:11])[H:7],"InChI=1S/C3H6N2O/c6-5-3-1-4-2-3/h4,6H,1-2H2","InChI=1S/C3H6N2O/c6-5-3-1-4-2-3/h1,4-6H,2H2",68.47103,18.3399,
2116,[O:1]([N:2]=[C:3]1[C:4]([H:8])([H:9])[N:5]([H:10])[C:6]1([H:11])[H:12])[H:7],[N:5](=[C:6]([H:11])[H:12])[H:10].[O:1]([N:2]=[C:3]=[C:4]([H:8])[H:9])[H:7],"InChI=1S/C3H6N2O/c6-5-3-1-4-2-3/h4,6H,1-2H2","InChI=1S/C2H3NO.CH3N/c1-2-3-4;1-2/h4H,1H2;2H,1H2",44.5734,18.46472,
2117,[O:1]([N:2]=[C:3]1[C:4]([H:8])([H:9])[N:5]([H:10])[C:6]1([H:11])[H:12])[H:7],[N-:2]=[C:3]1[C:4]([H:8])([H:9])[N:5]([H:10])[C+:6]1[H:11].[O:1]([H:7])[H:12],"InChI=1S/C3H6N2O/c6-5-3-1-4-2-3/h4,6H,1-2H2","InChI=1S/C3H4N2.H2O/c4-3-1-5-2-3;/h1,5H,2H2;1H2",62.08843,-20.93649,
2118,[O:1]([N:2]=[C:3]1[C:4]([H:8])([H:9])[N:5]([H:10])[C:6]1([H:11])[H:12])[H:7],[O:1]([N:2]=[C:3]1[C:4]([H:8])([H:9])[N+:5]([H:10])([H:12])[C-:6]1[H:11])[H:7],"InChI=1S/C3H6N2O/c6-5-3-1-4-2-3/h4,6H,1-2H2","InChI=1S/C3H6N2O/c6-5-3-1-4-2-3/h1,6H,2,4H2",64.67971999999999,42.02297,
2119,[O:1]([N:2]=[C:3]1[C:4]([H:8])([H:9])[N:5]([H:10])[C:6]1([H:11])[H:12])[H:7],[O-:1][N:2]([C+:3]1[C:4]([H:8])([H:9])[N:5]([H:10])[C:6]1([H:11])[H:12])[H:7],"InChI=1S/C3H6N2O/c6-5-3-1-4-2-3/h4,6H,1-2H2","InChI=1S/C3H6N2O/c6-5-3-1-4-2-3/h4-5H,1-2H2",49.95902,17.056620000000002,
2120,[O:1]([N:2]=[C:3]1[C:4]([H:8])([H:9])[N:5]([H:10])[C:6]1([H:11])[H:12])[H:7],[O:1](/[N:2]=[C:3](/[C:4]([H:8])([H:9])[H:10])[C:6]([N:5])([H:11])[H:12])[H:7],"InChI=1S/C3H6N2O/c6-5-3-1-4-2-3/h4,6H,1-2H2","InChI=1S/C3H6N2O/c1-3(2-4)5-6/h6H,2H2,1H3/b5-3-",76.3474,48.06752,
2121,[O:1]([N:2]=[C:3]1[C:4]([H:8])([H:9])[N:5]([H:10])[C:6]1([H:11])[H:12])[H:7],[C:4](=[N:5][H:10])([H:8])[H:9].[O:1]([C:6]([C:3]#[N:2])([H:11])[H:12])[H:7],"InChI=1S/C3H6N2O/c6-5-3-1-4-2-3/h4,6H,1-2H2","InChI=1S/C2H3NO.CH3N/c3-1-2-4;1-2/h4H,2H2;2H,1H2",71.31491,-28.1954,
2122,[O:1]([N:2]=[C:3]1[C:4]([H:8])([H:9])[N:5]([H:10])[C:6]1([H:11])[H:12])[H:7],[H:8][H:11].[O:1]([N-:2][C:3]1=[C:4]([H:9])[N:5]([H:10])[C+:6]1[H:12])[H:7],"InChI=1S/C3H6N2O/c6-5-3-1-4-2-3/h4,6H,1-2H2","InChI=1S/C3H4N2O.H2/c6-5-3-1-4-2-3;/h1-2,4,6H;1H",70.1058,63.498940000000005,
2123,[O:1]([N:2]=[C:3]1[C:4]([H:8])([H:9])[N:5]([H:10])[C:6]1([H:11])[H:12])[H:7],[O:1]=[N:2][C:3]1([H:7])[C:4]([H:8])([H:9])[N:5]([H:10])[C:6]1([H:11])[H:12],"InChI=1S/C3H6N2O/c6-5-3-1-4-2-3/h4,6H,1-2H2","InChI=1S/C3H6N2O/c6-5-3-1-4-2-3/h3-4H,1-2H2",64.41705999999999,20.71552,ketoenol
2124,[O:1]([N:2]=[C:3]1[C:4]([H:8])([H:9])[N:5]([H:10])[C:6]1([H:11])[H:12])[H:7],[O:1]([N:2]1[C:3](=[C:6]([H:11])[H:12])[C:4]([H:8])([H:9])[N:5]1[H:10])[H:7],"InChI=1S/C3H6N2O/c6-5-3-1-4-2-3/h4,6H,1-2H2","InChI=1S/C3H6N2O/c1-3-2-4-5(3)6/h4,6H,1-2H2",49.98147,26.383090000000003,
2125,[O:1]([N:2]=[C:3]1[C:4]([H:8])([H:9])[N:5]([H:10])[C:6]1([H:11])[H:12])[H:7],[O-:1][N:2]=[C:3]1[C:4]([H:8])([H:9])[N+:5]([H:7])([H:10])[C:6]1([H:11])[H:12],"InChI=1S/C3H6N2O/c6-5-3-1-4-2-3/h4,6H,1-2H2","InChI=1S/C3H6N2O/c6-5-3-1-4-2-3/h4,6H,1-2H2",59.270340000000004,45.02017,
2126,[O:1]([N:2]=[C:3]1[C:4]([H:8])([H:9])[N:5]([H:10])[C:6]1([H:11])[H:12])[H:7],[O-:1][N+:2]#[C:3][C:4]([N:5]([C:6]([H:7])([H:11])[H:12])[H:10])([H:8])[H:9],"InChI=1S/C3H6N2O/c6-5-3-1-4-2-3/h4,6H,1-2H2","InChI=1S/C3H6N2O/c1-4-2-3-5-6/h4H,2H2,1H3",52.95064,-2.1565,
2127,[O:1]([N:2]=[C:3]1[C:4]([H:8])([H:9])[N:5]([H:10])[C:6]1([H:11])[H:12])[H:7],[O:1]([N:2]=[C:3]=[C:6]([N:5]([C:4]([H:8])([H:9])[H:12])[H:10])[H:11])[H:7],"InChI=1S/C3H6N2O/c6-5-3-1-4-2-3/h4,6H,1-2H2","InChI=1S/C3H6N2O/c1-4-2-3-5-6/h2,4,6H,1H3",72.96438,2.93146,
2128,[O:1]([N:2]=[C:3]1[C:4]([H:8])([H:9])[N:5]([H:10])[C:6]1([H:11])[H:12])[H:7],[H:11][H:12].[O:1](/[N:2]=[C:3]1/[C:4]([H:8])([H:9])[N:5]([H:10])[C:6]1)[H:7],"InChI=1S/C3H6N2O/c6-5-3-1-4-2-3/h4,6H,1-2H2","InChI=1S/C3H4N2O.H2/c6-5-3-1-4-2-3;/h4,6H,1H2;1H/b5-3-;",71.33525999999999,64.78418,
2129,[O:1]([N:2]=[C:3]1[C:4]([H:8])([H:9])[N:5]([H:10])[C:6]1([H:11])[H:12])[H:7],[H:7][H:10].[O:1]=[N:2][C:3]12[C:4]([H:8])([H:9])[N:5]1[C:6]2([H:11])[H:12],"InChI=1S/C3H6N2O/c6-5-3-1-4-2-3/h4,6H,1-2H2",InChI=1S/C3H4N2O.H2/c6-4-3-1-5(3)2-3;/h1-2H2;1H,85.74882,62.4016,
2130,[O:1]([N:2]=[C:3]1[C:4]([H:8])([H:9])[N:5]([H:10])[C:6]1([H:11])[H:12])[H:7],[N-:2]=[C:3]=[C:6]([N:5]([C+:4]([H:8])[H:9])[H:10])[H:12].[O:1]([H:7])[H:11],"InChI=1S/C3H6N2O/c6-5-3-1-4-2-3/h4,6H,1-2H2","InChI=1S/C3H4N2.H2O/c1-5-3-2-4;/h3,5H,1H2;1H2",62.03682,-20.84166,
2131,[C:1]1([H:7])([H:8])[O:2][C@@:3]2([H:9])[C:4]([H:10])([H:11])[O:5][C@@:6]12[H:12],[C-:1]1([H:7])[O+:2]=[C:3]([H:9])[C:6]1([O:5][C:4]([H:8])([H:10])[H:11])[H:12],"InChI=1S/C4H6O2/c1-3-4(5-1)2-6-3/h3-4H,1-2H2/t3-,4-/m0/s1","InChI=1S/C4H6O2/c1-5-4-2-6-3-4/h2-4H,1H3",69.44882,50.04435,
2132,[C:1]1([H:7])([H:8])[O:2][C@@:3]2([H:9])[C:4]([H:10])([H:11])[O:5][C@@:6]12[H:12],[C:1]1([H:7])([H:8])[O:2][C@:4]2([H:11])[C:3]([H:9])([H:10])[C@@:6]1([H:12])[O:5]2,"InChI=1S/C4H6O2/c1-3-4(5-1)2-6-3/h3-4H,1-2H2/t3-,4-/m0/s1","InChI=1S/C4H6O2/c1-3-2-5-4(1)6-3/h3-4H,1-2H2/t3-,4+/m1/s1",68.75219,-12.26562,
2133,[C:1]1([H:7])([H:8])[O:2][C@@:3]2([H:9])[C:4]([H:10])([H:11])[O:5][C@@:6]12[H:12],[C:1](=[O:2])([H:7])[H:8].[C:3]1([H:9])=[C:6]([H:12])[O:5][C:4]1([H:10])[H:11],"InChI=1S/C4H6O2/c1-3-4(5-1)2-6-3/h3-4H,1-2H2/t3-,4-/m0/s1","InChI=1S/C3H4O.CH2O/c1-2-4-3-1;1-2/h1-2H,3H2;1H2",56.441219999999994,9.51111,2+2_cycloaddition
2134,[C:1]1([H:7])([H:8])[O:2][C@@:3]2([H:9])[C:4]([H:10])([H:11])[O:5][C@@:6]12[H:12],[C:1]1([H:7])([H:8])[O+:2]=[C-:3][C:4]([H:10])([H:11])[O:5][C:6]1([H:9])[H:12],"InChI=1S/C4H6O2/c1-3-4(5-1)2-6-3/h3-4H,1-2H2/t3-,4-/m0/s1",InChI=1S/C4H6O2/c1-2-6-4-3-5-1/h1-3H2,65.1252,19.14259,
2135,[C:1]1([H:7])([H:8])[O:2][C@@:3]2([H:9])[C:4]([H:10])([H:11])[O:5][C@@:6]12[H:12],[C:1]1([H:7])([H:8])[O:2][C:3]([H:9])=[C:6]([H:12])[O:5][C:4]1([H:10])[H:11],"InChI=1S/C4H6O2/c1-3-4(5-1)2-6-3/h3-4H,1-2H2/t3-,4-/m0/s1","InChI=1S/C4H6O2/c1-2-6-4-3-5-1/h1-2H,3-4H2",96.64502,-29.91978,
2136,[C:1]1([H:7])([H:8])[O:2][C@@:3]2([H:9])[C:4]([H:10])([H:11])[O:5][C@@:6]12[H:12],[C:1]([O:2][H:12])([C:6]1=[C:3]([H:9])[C:4]([H:10])([H:11])[O:5]1)([H:7])[H:8],"InChI=1S/C4H6O2/c1-3-4(5-1)2-6-3/h3-4H,1-2H2/t3-,4-/m0/s1","InChI=1S/C4H6O2/c5-3-4-1-2-6-4/h1,5H,2-3H2",112.41205,-11.17677,
2137,[C:1]1([H:7])([H:8])[O:2][C@@:3]2([H:9])[C:4]([H:10])([H:11])[O:5][C@@:6]12[H:12],[C:1]1([H:7])([H:8])[O:2][C@@:3]2([H:9])[C-:4]=[O+:5][C@@:6]12[H:12].[H:10][H:11],"InChI=1S/C4H6O2/c1-3-4(5-1)2-6-3/h3-4H,1-2H2/t3-,4-/m0/s1","InChI=1S/C4H4O2.H2/c1-3-4(5-1)2-6-3;/h3-4H,1H2;1H/t3-,4-;/m0./s1",79.41638,75.44891,
2138,[C:1]1([H:7])([H:8])[O:2][C@@:3]2([H:9])[C:4]([H:10])([H:11])[O:5][C@@:6]12[H:12],[C:1]1([H:7])([H:8])[O+:2]=[C-:3][C@:6]1([O:5][C:4]([H:9])([H:10])[H:11])[H:12],"InChI=1S/C4H6O2/c1-3-4(5-1)2-6-3/h3-4H,1-2H2/t3-,4-/m0/s1","InChI=1S/C4H6O2/c1-5-4-2-6-3-4/h4H,2H2,1H3/t4-/m0/s1",61.910880000000006,41.81364,
2139,[C:1]1([H:7])([H:8])[O:2][C@@:3]2([H:9])[C:4]([H:10])([H:11])[O:5][C@@:6]12[H:12],[C:1]1([H:7])=[C:6]2[C@@:3]([H:9])([O:2]1)[C:4]([H:10])([H:11])[O:5]2.[H:8][H:12],"InChI=1S/C4H6O2/c1-3-4(5-1)2-6-3/h3-4H,1-2H2/t3-,4-/m0/s1","InChI=1S/C4H4O2.H2/c1-3-4(5-1)2-6-3;/h1,4H,2H2;1H/t4-;/m0./s1",99.44319,64.65058,
2140,[C:1]1([H:7])([H:8])[O:2][C@@:3]2([H:9])[C:4]([H:10])([H:11])[O:5][C@@:6]12[H:12],[C:1]([C@@:6]1([H:12])[C@:3]([O:2][H:7])([H:9])[C:4]([H:10])([H:11])[O:5]1)[H:8],"InChI=1S/C4H6O2/c1-3-4(5-1)2-6-3/h3-4H,1-2H2/t3-,4-/m0/s1","InChI=1S/C4H6O2/c1-3-4(5)2-6-3/h1,3-5H,2H2/t3-,4-/m0/s1",65.86363,64.37323,
2141,[C:1]1([H:7])([H:8])[O:2][C@@:3]2([H:9])[C:4]([H:10])([H:11])[O:5][C@@:6]12[H:12],[C:1]1([H:7])([H:8])[O:2][C@:3]([C:4]([O:5][H:12])([H:10])[H:11])([H:9])[C:6]1,"InChI=1S/C4H6O2/c1-3-4(5-1)2-6-3/h3-4H,1-2H2/t3-,4-/m0/s1","InChI=1S/C4H6O2/c5-3-4-1-2-6-4/h4-5H,2-3H2/t4-/m1/s1",65.14653,61.03139,
2142,[O:1]([C:2]([C:3](=[O:4])[H:8])([H:6])[H:7])[H:5],[O:1](/[C:2](=[C:3](\[O:4][H:5])[H:8])[H:7])[H:6],"InChI=1S/C2H4O2/c3-1-2-4/h1,4H,2H2",InChI=1S/C2H4O2/c3-1-2-4/h1-4H/b2-1-,59.92905,4.943219999999999,ketoenol
2143,[O:1]([C:2]([C:3](=[O:4])[H:8])([H:6])[H:7])[H:5],[H:5][H:6].[O:1]=[C:2]([C:3](=[O:4])[H:8])[H:7],"InChI=1S/C2H4O2/c3-1-2-4/h1,4H,2H2",InChI=1S/C2H2O2.H2/c3-1-2-4;/h1-2H;1H,90.77157,30.437520000000003,
2144,[O:1]([C:2]([C:3](=[O:4])[H:8])([H:6])[H:7])[H:5],[O:1]1[C:2]([H:6])([H:7])[C@@:3]1([O:4][H:5])[H:8],"InChI=1S/C2H4O2/c3-1-2-4/h1,4H,2H2","InChI=1S/C2H4O2/c3-2-1-4-2/h2-3H,1H2/t2-/m1/s1",50.455059999999996,18.347739999999998,
2145,[O:1]([C:2]([C:3](=[O:4])[H:8])([H:6])[H:7])[H:5],[C-:3]#[O+:4].[O:1]([C:2]([H:6])([H:7])[H:8])[H:5],"InChI=1S/C2H4O2/c3-1-2-4/h1,4H,2H2","InChI=1S/CH4O.CO/c2*1-2/h2H,1H3;",75.63028,2.91669,"1,2_Insertion_CO"
2146,[O:1]([C:2]([C:3](=[O:4])[H:8])([H:6])[H:7])[H:5],[O:1]([O:4][C:3](=[C:2]([H:6])[H:7])[H:8])[H:5],"InChI=1S/C2H4O2/c3-1-2-4/h1,4H,2H2","InChI=1S/C2H4O2/c1-2-4-3/h2-3H,1H2",96.73924,64.74273000000001,ketoenol
2147,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[O:4]/[C:5]1=[N:6]\[H:11])[H:7],[O:1]([C:2]/[C:5]([O:4][C:3]([H:8])([H:9])[H:10])=[N:6]/[H:11])[H:7],"InChI=1S/C3H5NO2/c4-3-2(5)1-6-3/h2,4-5H,1H2/b4-3-/t2-/m0/s1","InChI=1S/C3H5NO2/c1-6-3(4)2-5/h4-5H,1H3/b4-3-",54.20542,43.4451,
2148,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[O:4]/[C:5]1=[N:6]\[H:11])[H:7],[O:1]([C@@:2]1([H:8])[C-:3]([H:9])[O+:4]=[C:5]1[N:6]([H:10])[H:11])[H:7],"InChI=1S/C3H5NO2/c4-3-2(5)1-6-3/h2,4-5H,1H2/b4-3-/t2-/m0/s1","InChI=1S/C3H5NO2/c4-3-2(5)1-6-3/h1-2,5H,4H2/t2-/m0/s1",87.61999,55.4804,
2149,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[O:4]/[C:5]1=[N:6]\[H:11])[H:7],[O:1]([C:2](/[C:5]([O+:4]=[C-:3][H:9])=[N:6]/[H:11])([H:8])[H:10])[H:7],"InChI=1S/C3H5NO2/c4-3-2(5)1-6-3/h2,4-5H,1H2/b4-3-/t2-/m0/s1","InChI=1S/C3H5NO2/c1-6-3(4)2-5/h1,4-5H,2H2/b4-3-",66.30462,55.73919,
2150,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[O:4]/[C:5]1=[N:6]\[H:11])[H:7],[O:1]([C:2]1=[C:5]([N:6]([H:8])[H:11])[O:4][C:3]1([H:9])[H:10])[H:7],"InChI=1S/C3H5NO2/c4-3-2(5)1-6-3/h2,4-5H,1H2/b4-3-/t2-/m0/s1","InChI=1S/C3H5NO2/c4-3-2(5)1-6-3/h5H,1,4H2",87.05279,19.63888,
2151,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[O:4]/[C:5]1=[N:6]\[H:11])[H:7],[O:1]([C:2](=[C:3]([H:9])[H:10])[H:8])[H:7].[O:4]=[C:5]=[N:6][H:11],"InChI=1S/C3H5NO2/c4-3-2(5)1-6-3/h2,4-5H,1H2/b4-3-/t2-/m0/s1","InChI=1S/C2H4O.CHNO/c1-2-3;2-1-3/h2-3H,1H2;2H",37.714529999999996,-15.807139999999999,2+2_cycloaddition
2152,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[O:4]/[C:5]1=[N:6]\[H:11])[H:7],[O:1](/[C:5]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[O:4]1)=[N:6]/[H:11])[H:7],"InChI=1S/C3H5NO2/c4-3-2(5)1-6-3/h2,4-5H,1H2/b4-3-/t2-/m0/s1","InChI=1S/C3H5NO2/c4-3(5)2-1-6-2/h2H,1H2,(H2,4,5)/t2-/m1/s1",71.95076,-0.5319699999999999,
2153,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[O:4]/[C:5]1=[N:6]\[H:11])[H:7],[O:1]([C:2]([C:3]([O:4][H:8])([H:9])[H:10])=[C:5]=[N:6][H:11])[H:7],"InChI=1S/C3H5NO2/c4-3-2(5)1-6-3/h2,4-5H,1H2/b4-3-/t2-/m0/s1","InChI=1S/C3H5NO2/c4-1-3(6)2-5/h4-6H,2H2",75.54885,13.44891,
2154,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[O:4]/[C:5]1=[N:6]\[H:11])[H:7],[C:3](=[O:4])([H:9])[H:10].[O:1]([C:2](=[C:5]=[N:6][H:11])[H:8])[H:7],"InChI=1S/C3H5NO2/c4-3-2(5)1-6-3/h2,4-5H,1H2/b4-3-/t2-/m0/s1",InChI=1S/C2H3NO.CH2O/c3-1-2-4;1-2/h2-4H;1H2,44.871559999999995,31.927940000000003,2+2_cycloaddition
2155,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[O:4]/[C:5]1=[N:6]\[H:11])[H:7],[O:1]=[C:2](/[C:5]([O:4][C:3]([H:7])([H:9])[H:10])=[N:6]/[H:11])[H:8],"InChI=1S/C3H5NO2/c4-3-2(5)1-6-3/h2,4-5H,1H2/b4-3-/t2-/m0/s1","InChI=1S/C3H5NO2/c1-6-3(4)2-5/h2,4H,1H3/b4-3-",74.1751,-4.41445,
2156,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[O:4]/[C:5]1=[N:6]\[H:11])[H:7],[O:1]([C@@:2]([C:3]([O:4][H:11])([H:9])[H:10])([C:5]#[N:6])[H:8])[H:7],"InChI=1S/C3H5NO2/c4-3-2(5)1-6-3/h2,4-5H,1H2/b4-3-/t2-/m0/s1","InChI=1S/C3H5NO2/c4-1-3(6)2-5/h3,5-6H,2H2/t3-/m1/s1",59.02404,-8.28345,
2157,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[O:4]/[C:5]1=[N:6]\[H:11])[H:7],[O:1]=[C:2]([C:3]([O:4]/[C:5](=[N:6]\[H:11])[H:7])([H:9])[H:10])[H:8],"InChI=1S/C3H5NO2/c4-3-2(5)1-6-3/h2,4-5H,1H2/b4-3-/t2-/m0/s1","InChI=1S/C3H5NO2/c4-3-6-2-1-5/h1,3-4H,2H2/b4-3-",62.571380000000005,-2.1945900000000003,
2158,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[O:4]/[C:5]1=[N:6]\[H:11])[H:7],[C:2]1([H:8])=[C:3]([H:9])[O:4]/[C:5]1=[N:6]\[H:11].[O:1]([H:7])[H:10],"InChI=1S/C3H5NO2/c4-3-2(5)1-6-3/h2,4-5H,1H2/b4-3-/t2-/m0/s1","InChI=1S/C3H3NO.H2O/c4-3-1-2-5-3;/h1-2,4H;1H2/b4-3-;",72.01644,22.608620000000002,"1,3_Insertion_ROR"
2159,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[O:4]/[C:5]1=[N:6]\[H:11])[H:7],[O-:1][C@@:2]1([H:8])[C:3]([H:9])([H:10])[O+:4]=[C:5]1[N:6]([H:7])[H:11],"InChI=1S/C3H5NO2/c4-3-2(5)1-6-3/h2,4-5H,1H2/b4-3-/t2-/m0/s1","InChI=1S/C3H5NO2/c4-3-2(5)1-6-3/h2H,1,4H2/t2-/m0/s1",33.91325,34.29139,
2160,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[O:4]/[C:5]1=[N:6]\[H:11])[H:7],[O:1]([N:6]([C:5]1=[C:2]([H:8])[C:3]([H:9])([H:10])[O:4]1)[H:11])[H:7],"InChI=1S/C3H5NO2/c4-3-2(5)1-6-3/h2,4-5H,1H2/b4-3-/t2-/m0/s1","InChI=1S/C3H5NO2/c5-4-3-1-2-6-3/h1,4-5H,2H2",91.1268,56.079390000000004,
2161,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[O:4]/[C:5]1=[N:6]\[H:11])[H:7],[C:5]=[N:6][H:11].[O:1]([C:2]([C:3](=[O:4])[H:10])([H:8])[H:9])[H:7],"InChI=1S/C3H5NO2/c4-3-2(5)1-6-3/h2,4-5H,1H2/b4-3-/t2-/m0/s1","InChI=1S/C2H4O2.CHN/c3-1-2-4;1-2/h1,4H,2H2;2H",67.56769,30.48878,
2162,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[O:4]/[C:5]1=[N:6]\[H:11])[H:7],[O:1]1[C@@:2]([C:5](=[O:4])[N:6]([H:7])[H:11])([H:8])[C:3]1([H:9])[H:10],"InChI=1S/C3H5NO2/c4-3-2(5)1-6-3/h2,4-5H,1H2/b4-3-/t2-/m0/s1","InChI=1S/C3H5NO2/c4-3(5)2-1-6-2/h2H,1H2,(H2,4,5)/t2-/m0/s1",44.700509999999994,-11.18602,
2163,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[O:4]/[C:5]1=[N:6]\[H:11])[H:7],[C@:2]1([C:5]#[N:6])([H:8])[C:3]([H:9])([H:10])[O:4]1.[O:1]([H:7])[H:11],"InChI=1S/C3H5NO2/c4-3-2(5)1-6-3/h2,4-5H,1H2/b4-3-/t2-/m0/s1","InChI=1S/C3H3NO.H2O/c4-1-3-2-5-3;/h3H,2H2;1H2/t3-;/m0./s1",75.21961,17.62527,
2164,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[O:4]/[C:5]1=[N:6]\[H:11])[H:7],[H:7][H:8].[O:1]=[C:2]1[C:3]([H:9])([H:10])[O:4]/[C:5]1=[N:6]\[H:11],"InChI=1S/C3H5NO2/c4-3-2(5)1-6-3/h2,4-5H,1H2/b4-3-/t2-/m0/s1","InChI=1S/C3H3NO2.H2/c4-3-2(5)1-6-3;/h4H,1H2;1H/b4-3-;",82.38687,18.01902,
2165,[N:1]1([H:7])[C@@:2]2([H:8])[C@:3]3([H:9])[N:4]([H:10])[C@@:5]2([H:11])[C@:6]13[H:12],[N:1]1([H:7])[C@@:2]2([H:8])[C@:3]1([H:9])[C@:6]1([H:12])[N:4]([H:10])[C@:5]21[H:11],"InChI=1S/C4H6N2/c5-1-2-4(5)3(1)6-2/h1-6H/t1-,2-,3+,4+","InChI=1S/C4H6N2/c5-1-2(5)4-3(1)6-4/h1-6H/t1-,2+,3+,4-",50.18557,-22.03049,
2166,[N:1]1([H:7])[C@@:2]2([H:8])[C@:3]3([H:9])[N:4]([H:10])[C@@:5]2([H:11])[C@:6]13[H:12],[N+:1]1([H:7])([H:11])[C@@:2]2([H:8])[C@:3]3([H:9])[N:4]([H:10])[C-:5]2[C@:6]13[H:12],"InChI=1S/C4H6N2/c5-1-2-4(5)3(1)6-2/h1-6H/t1-,2-,3+,4+","InChI=1S/C4H5N2/c5-1-2-4(5)3(1)6-2/h1-3,5-6H/q-1/p+1/t1-,2-,3+",72.01924,58.582519999999995,
2167,[N:1]1([H:7])[C@@:2]2([H:8])[C@:3]3([H:9])[N:4]([H:10])[C@@:5]2([H:11])[C@:6]13[H:12],[N+:1]12([H:7])[C@:2]3([H:8])[C-:3]1[C@@:6]2([H:12])[C@:5]3([N:4]([H:9])[H:10])[H:11],"InChI=1S/C4H6N2/c5-1-2-4(5)3(1)6-2/h1-6H/t1-,2-,3+,4+","InChI=1S/C4H6N2/c5-1-2-4-3(1)6(2)4/h1-3,6H,5H2/t1-,2-,3+",59.35555,22.874570000000002,
2168,[N:1]1([H:7])[C@@:2]2([H:8])[C@:3]3([H:9])[N:4]([H:10])[C@@:5]2([H:11])[C@:6]13[H:12],[N:1]1([H:7])[C+:2]([H:8])[C:5]([N:4]([C-:3][H:9])[H:10])([H:11])[C:6]1[H:12],"InChI=1S/C4H6N2/c5-1-2-4(5)3(1)6-2/h1-6H/t1-,2-,3+,4+",InChI=1S/C4H6N2/c1-5-4-2-6-3-4/h1-6H,39.675340000000006,36.154959999999996,
2169,[N:1]1([H:7])[C@@:2]2([H:8])[C@:3]3([H:9])[N:4]([H:10])[C@@:5]2([H:11])[C@:6]13[H:12],[N+:1]12([H:7])[C@:2](/[C:3](=[N:4]/[H:10])[H:9])([H:8])[C@@:5]1([H:11])[C-:6]2[H:12],"InChI=1S/C4H6N2/c5-1-2-4(5)3(1)6-2/h1-6H/t1-,2-,3+,4+","InChI=1S/C4H6N2/c5-1-3-4-2-6(3)4/h1-6H/b5-1+/t3-,4+/m0/s1",49.96018,20.68787,
2170,[N:1]1([H:7])[C@@:2]2([H:8])[C@:3]3([H:9])[N:4]([H:10])[C@@:5]2([H:11])[C@:6]13[H:12],[N:1](=[C:6](/[C@:3]1([H:9])[C:2]([H:8])=[C:5]([H:11])[N:4]1[H:10])[H:12])\[H:7],"InChI=1S/C4H6N2/c5-1-2-4(5)3(1)6-2/h1-6H/t1-,2-,3+,4+",InChI=1S/C4H6N2/c5-3-4-1-2-6-4/h1-6H/b5-3+/t4-/m0/s1,31.05625,-49.453340000000004,
2171,[N:1]([C:2](=[O:3])[O:4]/[C:5](=[N:6]/[H:10])[H:9])([H:7])[H:8],[N:1]([C:2](=[O:3])[O:4][C-:5]=[N+:6]([H:9])[H:10])([H:7])[H:8],"InChI=1S/C2H4N2O2/c3-1-6-2(4)5/h1,3H,(H2,4,5)/b3-1+","InChI=1S/C2H4N2O2/c3-1-6-2(4)5/h3H2,(H2,4,5)",82.55405,30.99192,
2172,[N:1]([C:2](=[O:3])[O:4]/[C:5](=[N:6]/[H:10])[H:9])([H:7])[H:8],[C-:2]#[O+:3].[N:1]([N:6]([C:5](=[O:4])[H:9])[H:10])([H:7])[H:8],"InChI=1S/C2H4N2O2/c3-1-6-2(4)5/h1,3H,(H2,4,5)/b3-1+","InChI=1S/CH4N2O.CO/c2-3-1-4;1-2/h1H,2H2,(H,3,4);",108.8634,40.45572,
2173,[N:1]([C:2](=[O:3])[O:4]/[C:5](=[N:6]/[H:10])[H:9])([H:7])[H:8],[N:1](=[C:2](/[O:3][H:7])[O:4]/[C:5](=[N:6]/[H:10])[H:9])\[H:8],"InChI=1S/C2H4N2O2/c3-1-6-2(4)5/h1,3H,(H2,4,5)/b3-1+","InChI=1S/C2H4N2O2/c3-1-6-2(4)5/h1,3H,(H2,4,5)/b3-1+",48.02216,15.54587,ketoenol
2174,[N:1]([C:2](=[O:3])[O:4]/[C:5](=[N:6]/[H:10])[H:9])([H:7])[H:8],[N:1]([C:2](=[O:3])[N:6]([C:5](=[O:4])[H:9])[H:10])([H:7])[H:8],"InChI=1S/C2H4N2O2/c3-1-6-2(4)5/h1,3H,(H2,4,5)/b3-1+","InChI=1S/C2H4N2O2/c3-2(6)4-1-5/h1H,(H3,3,4,5,6)",17.616770000000002,-17.29749,ketoenol
2175,[N:1]([C:2](=[O:3])[O:4]/[C:5](=[N:6]/[H:10])[H:9])([H:7])[H:8],[N:1](=[C:2]=[O:3])[H:8].[O:4]=[C:5]([N:6]([H:7])[H:10])[H:9],"InChI=1S/C2H4N2O2/c3-1-6-2(4)5/h1,3H,(H2,4,5)/b3-1+","InChI=1S/CH3NO.CHNO/c2*2-1-3/h1H,(H2,2,3);2H",9.27283,0.30335,Retroene
2176,[N:1]([C:2](=[O:3])[O:4]/[C:5](=[N:6]/[H:10])[H:9])([H:7])[H:8],[C:2](=[O:3])=[O:4].[N:1]([C+:5]([N-:6][H:10])[H:9])([H:7])[H:8],"InChI=1S/C2H4N2O2/c3-1-6-2(4)5/h1,3H,(H2,4,5)/b3-1+","InChI=1S/CH4N2.CO2/c2*2-1-3/h1-2H,3H2;",45.763659999999994,-4.41982,
2177,[N:1]([C:2](=[O:3])[O:4]/[C:5](=[N:6]/[H:10])[H:9])([H:7])[H:8],[C:2](=[O:3])=[O:4].[C:5]=[N:6][H:10].[N:1]([H:7])([H:8])[H:9],"InChI=1S/C2H4N2O2/c3-1-6-2(4)5/h1,3H,(H2,4,5)/b3-1+",InChI=1S/CHN.CO2.H3N/c1-2;2-1-3;/h2H;;1H3,49.20929,28.695590000000003,
2178,[N:1]([C:2](=[O:3])[O:4]/[C:5](=[N:6]/[H:10])[H:9])([H:7])[H:8],[N:1](=[C:2]=[O:3])[H:8].[O:4](/[C:5](=[N:6]/[H:10])[H:9])[H:7],"InChI=1S/C2H4N2O2/c3-1-6-2(4)5/h1,3H,(H2,4,5)/b3-1+","InChI=1S/CH3NO.CHNO/c2*2-1-3/h1H,(H2,2,3);2H",40.716840000000005,9.295919999999999,"1,3_Insertion_ROR"
2179,[C:1](#[C:2][C@@:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[O:6]1)[H:7],[C:1](=[C:2]=[C:3]1[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[O:6]1)([H:7])[H:8],"InChI=1S/C5H6O/c1-2-5-3-4-6-5/h1,5H,3-4H2/t5-/m0/s1","InChI=1S/C5H6O/c1-2-5-3-4-6-5/h1,3-4H2",71.59164,-9.61868,
2180,[C:1](#[C:2][C@@:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[O:6]1)[H:7],[C:1](/[C:2](=[C:3]1/[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[O:6]1)[H:8])[H:7],"InChI=1S/C5H6O/c1-2-5-3-4-6-5/h1,5H,3-4H2/t5-/m0/s1","InChI=1S/C5H6O/c1-2-5-3-4-6-5/h1-2H,3-4H2/b5-2-",55.79335,42.242779999999996,
2181,[C:1](#[C:2][C@@:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[O:6]1)[H:7],[C:1](=[C:2])([C@@:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[O:6]1)[H:7],"InChI=1S/C5H6O/c1-2-5-3-4-6-5/h1,5H,3-4H2/t5-/m0/s1","InChI=1S/C5H6O/c1-2-5-3-4-6-5/h2,5H,3-4H2/t5-/m0/s1",57.699690000000004,50.17105,Singlet_Carbene_Intra_Disproportionation
2182,[C:1](#[C:2][C@@:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[O:6]1)[H:7],[C:1]1([H:7])([H:10])[C:2][C@@:3]2([H:8])[C@:4]1([H:9])[C:5]([H:11])([H:12])[O:6]2,"InChI=1S/C5H6O/c1-2-5-3-4-6-5/h1,5H,3-4H2/t5-/m0/s1","InChI=1S/C5H6O/c1-2-5-4(1)3-6-5/h4-5H,1,3H2/t4-,5-/m0/s1",94.85345,65.98177,
2183,[C:1](#[C:2][C@@:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[O:6]1)[H:7],[C-:1](=[C:2]1[C:3]([H:8])=[O+:6][C:5]([H:11])([H:12])[C:4]1([H:9])[H:10])[H:7],"InChI=1S/C5H6O/c1-2-5-3-4-6-5/h1,5H,3-4H2/t5-/m0/s1","InChI=1S/C5H6O/c1-5-2-3-6-4-5/h1,4H,2-3H2",52.96485,18.82989,
2184,[C:1](#[C:2][C@@:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[O:6]1)[H:7],[C:1](=[C:2]=[C:3]([C:4]([C:5](=[O:6])[H:12])([H:9])[H:10])[H:8])([H:7])[H:11],"InChI=1S/C5H6O/c1-2-5-3-4-6-5/h1,5H,3-4H2/t5-/m0/s1","InChI=1S/C5H6O/c1-2-3-4-5-6/h3,5H,1,4H2",50.3078,-29.522920000000003,
2185,[C:1](#[C:2][C@@:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[O:6]1)[H:7],[C:1](#[C:2][C:3](=[O:6])[H:8])[H:7].[C:4](=[C:5]([H:11])[H:12])([H:9])[H:10],"InChI=1S/C5H6O/c1-2-5-3-4-6-5/h1,5H,3-4H2/t5-/m0/s1","InChI=1S/C3H2O.C2H4/c1-2-3-4;1-2/h1,3H;1-2H2",51.4174,2.82746,2+2_cycloaddition
2186,[C:1](#[C:2][C@@:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[O:6]1)[H:7],[C:1](=[C:2]1[C@@:3]2([H:8])[C@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]2)([H:7])[H:9],"InChI=1S/C5H6O/c1-2-5-3-4-6-5/h1,5H,3-4H2/t5-/m0/s1","InChI=1S/C5H6O/c1-3-4-2-6-5(3)4/h4-5H,1-2H2/t4-,5+/m1/s1",86.6634,6.10165,
2187,[C:1](#[C:2][C@@:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[O:6]1)[H:7],[C:1]1([H:7])=[C:2]=[C:3]([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[O:6]1,"InChI=1S/C5H6O/c1-2-5-3-4-6-5/h1,5H,3-4H2/t5-/m0/s1","InChI=1S/C5H6O/c1-2-4-6-5-3-1/h1,5H,2,4H2",52.928380000000004,-4.05293,
2188,[C:1](#[C:2][C@@:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[O:6]1)[H:7],[C:1](#[C:2][C@@:3]([C:4](=[C:5]([H:11])[H:12])[H:10])([O:6][H:9])[H:8])[H:7],"InChI=1S/C5H6O/c1-2-5-3-4-6-5/h1,5H,3-4H2/t5-/m0/s1","InChI=1S/C5H6O/c1-3-5(6)4-2/h1,4-6H,2H2/t5-/m0/s1",83.82579,-8.747630000000001,
2189,[C:1](#[C:2][C@@:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[O:6]1)[H:7],[C:1](#[C:2]/[C:3](=[C:4](\[C:5]([O:6][H:9])([H:11])[H:12])[H:10])[H:8])[H:7],"InChI=1S/C5H6O/c1-2-5-3-4-6-5/h1,5H,3-4H2/t5-/m0/s1","InChI=1S/C5H6O/c1-2-3-4-5-6/h1,3-4,6H,5H2/b4-3-",83.85695,-16.779329999999998,
2190,[C:1](#[C:2][C@@:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[O:6]1)[H:7],[C:1](#[C:2][C@@:3]1([H:8])[C:4]([H:10])=[C:5]([H:12])[O:6]1)[H:7].[H:9][H:11],"InChI=1S/C5H6O/c1-2-5-3-4-6-5/h1,5H,3-4H2/t5-/m0/s1","InChI=1S/C5H4O.H2/c1-2-5-3-4-6-5;/h1,3-5H;1H/t5-;/m0./s1",104.45533,33.1125,
2191,[C:1](#[C:2][C@@:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[O:6]1)[H:7],[C:1](#[C:2][C:3](=[C:4]([H:9])[H:10])[H:8])[H:7].[C:5](=[O:6])([H:11])[H:12],"InChI=1S/C5H6O/c1-2-5-3-4-6-5/h1,5H,3-4H2/t5-/m0/s1","InChI=1S/C4H4.CH2O/c1-3-4-2;1-2/h1,4H,2H2;1H2",44.81428,1.7386400000000002,2+2_cycloaddition
2192,[C:1]([C:2]1([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]1([H:14])[H:15])([H:6])([H:7])[H:8],[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([C:5]([C:4][H:13])([H:14])[H:15])[H:9])([H:6])([H:7])[H:8],"InChI=1S/C5H10/c1-5-3-2-4-5/h5H,2-4H2,1H3","InChI=1S/C5H10/c1-4-5(2)3/h1,5H,4H2,2-3H3",77.7463,80.30804,
2193,[C:1]([C:2]1([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]1([H:14])[H:15])([H:6])([H:7])[H:8],[C:1]([H:6])([H:7])([H:8])[H:11].[C:2]1([H:9])=[C:3]([H:10])[C:4]([H:12])([H:13])[C:5]1([H:14])[H:15],"InChI=1S/C5H10/c1-5-3-2-4-5/h5H,2-4H2,1H3","InChI=1S/C4H6.CH4/c1-2-4-3-1;/h1-2H,3-4H2;1H4",105.24577,21.495620000000002,
2194,[C:1]([C:2]1([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]1([H:14])[H:15])([H:6])([H:7])[H:8],[C:1]([C@:2]([C:3]([C:4]([H:12])([H:13])[H:15])([H:10])[H:11])([C:5][H:14])[H:9])([H:6])([H:7])[H:8],"InChI=1S/C5H10/c1-5-3-2-4-5/h5H,2-4H2,1H3","InChI=1S/C5H10/c1-4-5(2)3/h2,5H,4H2,1,3H3/t5-/m1/s1",78.38688,76.12437,
2195,[C:1]([C:2]1([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]1([H:14])[H:15])([H:6])([H:7])[H:8],[C:1](=[C:2]([C:3]1([H:10])[C:4]([H:12])([H:13])[C:5]1([H:14])[H:15])[H:9])([H:7])[H:8].[H:6][H:11],"InChI=1S/C5H10/c1-5-3-2-4-5/h5H,2-4H2,1H3","InChI=1S/C5H8.H2/c1-2-5-3-4-5;/h2,5H,1,3-4H2;1H",96.91595,30.570359999999997,
2196,[C:1]([C:2]1([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]1([H:14])[H:15])([H:6])([H:7])[H:8],[C:1]([C:3]([C:2]1([H:9])[C:4]([H:12])([H:13])[C:5]1([H:14])[H:15])([H:10])[H:11])([H:6])([H:7])[H:8],"InChI=1S/C5H10/c1-5-3-2-4-5/h5H,2-4H2,1H3","InChI=1S/C5H10/c1-2-5-3-4-5/h5H,2-4H2,1H3",100.64362,1.4045299999999998,
2197,[C:1]([C:2]1([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]1([H:14])[H:15])([H:6])([H:7])[H:8],[C:1]([C:2](=[C:3]([H:10])[H:11])[H:9])([H:6])([H:7])[H:8].[C:4](=[C:5]([H:14])[H:15])([H:12])[H:13],"InChI=1S/C5H10/c1-5-3-2-4-5/h5H,2-4H2,1H3","InChI=1S/C3H6.C2H4/c1-3-2;1-2/h3H,1H2,2H3;1-2H2",86.21098,17.68542,
2198,[C:1]([C:2]1([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]1([H:14])[H:15])([H:6])([H:7])[H:8],[C:1]([C:2][C:3]([C:4]([C:5]([H:9])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:6])([H:7])[H:8],"InChI=1S/C5H10/c1-5-3-2-4-5/h5H,2-4H2,1H3","InChI=1S/C5H10/c1-3-5-4-2/h3,5H2,1-2H3",72.11551999999999,69.28062,
2199,[C:1]([C:2]1([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]1([H:14])[H:15])([H:6])([H:7])[H:8],[C:1](=[C:2]1[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]1([H:14])[H:15])([H:7])[H:8].[H:6][H:9],"InChI=1S/C5H10/c1-5-3-2-4-5/h5H,2-4H2,1H3",InChI=1S/C5H8.H2/c1-5-3-2-4-5;/h1-4H2;1H,111.51853999999999,29.931690000000003,
2200,[C:1]([C:2]1([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]1([H:14])[H:15])([H:6])([H:7])[H:8],[C:1]([H:6])([H:7])([H:8])[H:9].[C:2]1[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]1([H:14])[H:15],"InChI=1S/C5H10/c1-5-3-2-4-5/h5H,2-4H2,1H3",InChI=1S/C4H6.CH4/c1-2-4-3-1;/h1-3H2;1H4,85.6623,88.64269,
2201,[O:1]([C:2]([C:3]#[C:4][C:5]#[N:6])([H:8])[H:9])[H:7],[O:1]([C:2]([N+:6]#[C:5][C:4]#[C-:3])([H:8])[H:9])[H:7],"InChI=1S/C4H3NO/c5-3-1-2-4-6/h6H,4H2","InChI=1S/C4H3NO/c1-2-3-5-4-6/h6H,4H2",86.34715,50.70678,
2202,[O:1]([C:2]([C:3]#[C:4][C:5]#[N:6])([H:8])[H:9])[H:7],[O:1]([N:6]=[C:5]=[C:4]=[C:3]=[C:2]([H:8])[H:9])[H:7],"InChI=1S/C4H3NO/c5-3-1-2-4-6/h6H,4H2","InChI=1S/C4H3NO/c1-2-3-4-5-6/h6H,1H2",107.62392,45.841409999999996,
2203,[O:1]([C:2]([C:3]#[C:4][C:5]#[N:6])([H:8])[H:9])[H:7],[O:1]([C:2]([C:3]#[C:4][N+:6]#[C-:5])([H:8])[H:9])[H:7],"InChI=1S/C4H3NO/c5-3-1-2-4-6/h6H,4H2","InChI=1S/C4H3NO/c1-5-3-2-4-6/h6H,4H2",61.53918,30.57658,
2204,[O:1]([C:2]([C:3]#[C:4][C:5]#[N:6])([H:8])[H:9])[H:7],[O:1]1[C:2]([H:8])([H:9])[C:3][C@:4]1([C:5]#[N:6])[H:7],"InChI=1S/C4H3NO/c5-3-1-2-4-6/h6H,4H2","InChI=1S/C4H3NO/c5-3-4-1-2-6-4/h4H,2H2/t4-/m0/s1",96.26399,82.29786999999999,
2205,[O:1]([C:2]([C:3]#[C:4][C:5]#[N:6])([H:8])[H:9])[H:7],[O:1]([C:2](=[C:3]=[C:4]=[C:5]=[N:6][H:9])[H:8])[H:7],"InChI=1S/C4H3NO/c5-3-1-2-4-6/h6H,4H2",InChI=1S/C4H3NO/c5-3-1-2-4-6/h4-6H,80.17659,14.050770000000002,
2206,[O:1]([C:2]([C:3]#[C:4][C:5]#[N:6])([H:8])[H:9])[H:7],[O:1]([C:2]([C:3](=[C-:4])[N+:6]#[C:5])([H:8])[H:9])[H:7],"InChI=1S/C4H3NO/c5-3-1-2-4-6/h6H,4H2","InChI=1S/C4H3NO/c1-4(3-6)5-2/h6H,3H2",94.02799,84.91206,
2207,[O:1]([C:2]([C:3]#[C:4][C:5]#[N:6])([H:8])[H:9])[H:7],[O:1]([C:4](=[C:3]=[C:2]([H:8])[H:9])[C:5]#[N:6])[H:7],"InChI=1S/C4H3NO/c5-3-1-2-4-6/h6H,4H2","InChI=1S/C4H3NO/c1-2-4(6)3-5/h6H,1H2",61.889880000000005,-2.7534799999999997,
2208,[O:1]([C:2]([C:3]#[C:4][C:5]#[N:6])([H:8])[H:9])[H:7],[O:1]([C:2]([C:3](=[C:4])[C:5]#[N:6])([H:8])[H:9])[H:7],"InChI=1S/C4H3NO/c5-3-1-2-4-6/h6H,4H2","InChI=1S/C4H3NO/c1-4(2-5)3-6/h6H,3H2",54.60964,55.843469999999996,
2209,[O:1]([C:2]([C:3]#[C:4][C:5]#[N:6])([H:8])[H:9])[H:7],[C-:3]#[C:4][C+:5]=[N:6][H:7].[O:1]=[C:2]([H:8])[H:9],"InChI=1S/C4H3NO/c5-3-1-2-4-6/h6H,4H2",InChI=1S/C3HN.CH2O/c1-2-3-4;1-2/h4H;1H2,63.475480000000005,68.07996999999999,
2210,[O:1]([C:2]([C:3]#[C:4][C:5]#[N:6])([H:8])[H:9])[H:7],[O:1]([C:2]([C:5]1=[N:6][C:4]1=[C:3])([H:8])[H:9])[H:7],"InChI=1S/C4H3NO/c5-3-1-2-4-6/h6H,4H2","InChI=1S/C4H3NO/c1-3-4(2-6)5-3/h6H,2H2",104.30124,93.75668,
2211,[O:1]([C:2]([C:3]#[C:4][C:5]#[N:6])([H:8])[H:9])[H:7],[O:1]([C:5]([C:4]1=[C+:3][C:2]1([H:8])[H:9])=[N-:6])[H:7],"InChI=1S/C4H3NO/c5-3-1-2-4-6/h6H,4H2","InChI=1S/C4H3NO/c5-4(6)3-1-2-3/h1H2,(H-,5,6)",107.04245,92.70043000000001,
2212,[O:1]([C:2]([C:3]#[C:4][C:5]#[N:6])([H:8])[H:9])[H:7],[O:1]([C:2](=[C:3]=[C:4]([C:5]#[N:6])[H:8])[H:9])[H:7],"InChI=1S/C4H3NO/c5-3-1-2-4-6/h6H,4H2","InChI=1S/C4H3NO/c5-3-1-2-4-6/h1,4,6H",64.77956,-2.5156099999999997,
2213,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14])[H:7],[C:3](=[C:4]([H:11])[H:12])([H:9])[H:10].[O:1]=[C:2]([C:6]([O:5][H:7])([H:13])[H:14])[H:8],"InChI=1S/C4H8O2/c5-4-1-2-6-3-4/h4-5H,1-3H2/t4-/m0/s1","InChI=1S/C2H4O2.C2H4/c3-1-2-4;1-2/h1,4H,2H2;1-2H2",45.5914,17.92288,
2214,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14])[H:7],[C:6]([H:13])[H:14].[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[O:5]1)[H:7],"InChI=1S/C4H8O2/c5-4-1-2-6-3-4/h4-5H,1-3H2/t4-/m0/s1","InChI=1S/C3H6O2.CH2/c4-3-1-2-5-3;/h3-4H,1-2H2;1H2/t3-;/m1./s1",109.34128,126.2387,
2215,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14])[H:7],[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@:4]1([O:5][C:6]([H:11])([H:13])[H:14])[H:12])[H:7],"InChI=1S/C4H8O2/c5-4-1-2-6-3-4/h4-5H,1-3H2/t4-/m0/s1","InChI=1S/C4H8O2/c1-6-4-2-3(4)5/h3-5H,2H2,1H3/t3-,4+/m0/s1",105.70656000000001,29.37125,
2216,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14])[H:7],[O:1]([C:2]([C:6]([O:5][C:4](=[C:3]([H:10])[H:12])[H:11])([H:13])[H:14])([H:8])[H:9])[H:7],"InChI=1S/C4H8O2/c5-4-1-2-6-3-4/h4-5H,1-3H2/t4-/m0/s1","InChI=1S/C4H8O2/c1-2-6-4-3-5/h2,5H,1,3-4H2",90.58648000000001,11.44463,
2217,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14])[H:7],[C:2]1([H:8])=[C:6]([H:13])[O:5][C:4]([H:11])([H:12])[C:3]1([H:9])[H:10].[O:1]([H:7])[H:14],"InChI=1S/C4H8O2/c5-4-1-2-6-3-4/h4-5H,1-3H2/t4-/m0/s1","InChI=1S/C4H6O.H2O/c1-2-4-5-3-1;/h1,3H,2,4H2;1H2",62.836619999999996,8.73045,"1,3_Insertion_ROR"
2218,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14])[H:7],[H:11][H:12].[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C-:4]=[O+:5][C:6]1([H:13])[H:14])[H:7],"InChI=1S/C4H8O2/c5-4-1-2-6-3-4/h4-5H,1-3H2/t4-/m0/s1","InChI=1S/C4H6O2.H2/c5-4-1-2-6-3-4;/h4-5H,1,3H2;1H/t4-;/m0./s1",75.34869,65.35713,
2219,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14])[H:7],[O:1]([C@@:2]([C:3](=[C:4]([H:11])[H:12])[H:9])([C:6]([O:5][H:10])([H:13])[H:14])[H:8])[H:7],"InChI=1S/C4H8O2/c5-4-1-2-6-3-4/h4-5H,1-3H2/t4-/m0/s1","InChI=1S/C4H8O2/c1-2-4(6)3-5/h2,4-6H,1,3H2/t4-/m0/s1",73.42729,7.528389999999999,
2220,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14])[H:7],[O:1]([C:2][C:6]([O:5][C:4]([C:3]([H:8])([H:9])[H:10])([H:11])[H:12])([H:13])[H:14])[H:7],"InChI=1S/C4H8O2/c5-4-1-2-6-3-4/h4-5H,1-3H2/t4-/m0/s1","InChI=1S/C4H8O2/c1-2-6-4-3-5/h5H,2,4H2,1H3",66.30189,54.53722,
2221,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14])[H:7],[C:2]1([H:8])=[C:3]([H:10])[C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14].[O:1]([H:7])[H:9],"InChI=1S/C4H8O2/c5-4-1-2-6-3-4/h4-5H,1-3H2/t4-/m0/s1","InChI=1S/C4H6O.H2O/c1-2-4-5-3-1;/h1-2H,3-4H2;1H2",59.351859999999995,12.85994,"1,3_Insertion_ROR"
2222,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14])[H:7],[H:12][H:13].[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C-:4]([H:11])[O+:5]=[C:6]1[H:14])[H:7],"InChI=1S/C4H8O2/c5-4-1-2-6-3-4/h4-5H,1-3H2/t4-/m0/s1","InChI=1S/C4H6O2.H2/c5-4-1-2-6-3-4;/h2-5H,1H2;1H/t4-;/m0./s1",67.37455,69.08369,
2223,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14])[H:7],[O:1]1[C@:2]([C:3]([C:4]([O:5][H:7])([H:11])[H:12])([H:9])[H:10])([H:8])[C:6]1([H:13])[H:14],"InChI=1S/C4H8O2/c5-4-1-2-6-3-4/h4-5H,1-3H2/t4-/m0/s1","InChI=1S/C4H8O2/c5-2-1-4-3-6-4/h4-5H,1-3H2/t4-/m0/s1",61.69643000000001,16.40521,
2224,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14])[H:7],[O:1]([C:2]([C:3]([C:4]([O+:5]=[C-:6][H:13])([H:11])[H:12])([H:9])[H:10])([H:8])[H:14])[H:7],"InChI=1S/C4H8O2/c5-4-1-2-6-3-4/h4-5H,1-3H2/t4-/m0/s1","InChI=1S/C4H8O2/c1-6-4-2-3-5/h1,5H,2-4H2",71.70385999999999,66.72175,
2225,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14])[H:7],[C:3]([C:4](=[O:5])[H:11])([H:9])([H:10])[H:12].[O:1]([C:2](=[C:6]([H:13])[H:14])[H:8])[H:7],"InChI=1S/C4H8O2/c5-4-1-2-6-3-4/h4-5H,1-3H2/t4-/m0/s1","InChI=1S/2C2H4O/c2*1-2-3/h2H,1H3;2-3H,1H2",70.626,9.8036,
2226,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14])[H:7],[O:1]([C@@:2]([C:3]([H:9])([H:10])[H:12])([C:6]([O+:5]=[C-:4][H:11])([H:13])[H:14])[H:8])[H:7],"InChI=1S/C4H8O2/c5-4-1-2-6-3-4/h4-5H,1-3H2/t4-/m0/s1","InChI=1S/C4H8O2/c1-4(5)3-6-2/h2,4-5H,3H2,1H3/t4-/m0/s1",71.16193,60.872409999999995,
2227,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14])[H:7],[C:4](=[O:5])([H:11])[H:12].[O:1]([C:2](=[C:3]([H:9])[H:10])[C:6]([H:8])([H:13])[H:14])[H:7],"InChI=1S/C4H8O2/c5-4-1-2-6-3-4/h4-5H,1-3H2/t4-/m0/s1","InChI=1S/C3H6O.CH2O/c1-3(2)4;1-2/h4H,1H2,2H3;1H2",72.42081,15.603270000000002,
2228,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14])[H:7],[O:1]([C@@:2]([C:3]([H:9])([H:10])[H:13])([C:6](=[O+:5][C-:4]([H:11])[H:12])[H:14])[H:8])[H:7],"InChI=1S/C4H8O2/c5-4-1-2-6-3-4/h4-5H,1-3H2/t4-/m0/s1","InChI=1S/C4H8O2/c1-4(5)3-6-2/h3-5H,2H2,1H3/t4-/m0/s1",106.81935,58.48758,
2229,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14])[H:7],[O:1](/[C:2](=[C:3](/[C:4]([O:5][C:6]([H:10])([H:13])[H:14])([H:11])[H:12])[H:9])[H:8])[H:7],"InChI=1S/C4H8O2/c5-4-1-2-6-3-4/h4-5H,1-3H2/t4-/m0/s1","InChI=1S/C4H8O2/c1-6-4-2-3-5/h2-3,5H,4H2,1H3/b3-2+",79.7709,13.19829,
2230,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14])[H:7],[O:1]([C:3]([C:4]([O:5][C:6]([C:2][H:8])([H:13])[H:14])([H:11])[H:12])([H:9])[H:10])[H:7],"InChI=1S/C4H8O2/c5-4-1-2-6-3-4/h4-5H,1-3H2/t4-/m0/s1","InChI=1S/C4H8O2/c1-2-6-4-3-5/h1,5H,2-4H2",102.81514,94.6632,
2231,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14])[H:7],[H:7][H:11].[O:1]=[C:2]([C:6]([O:5][C:4](=[C:3]([H:9])[H:10])[H:12])([H:13])[H:14])[H:8],"InChI=1S/C4H8O2/c5-4-1-2-6-3-4/h4-5H,1-3H2/t4-/m0/s1","InChI=1S/C4H6O2.H2/c1-2-6-4-3-5;/h2-3H,1,4H2;1H",58.61926999999999,33.57052,
2232,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14])[H:7],[O:1](/[C:2](=[C:3](\[C:4]([H:9])([H:11])[H:12])[H:10])[H:8])[H:7].[O:5]=[C:6]([H:13])[H:14],"InChI=1S/C4H8O2/c5-4-1-2-6-3-4/h4-5H,1-3H2/t4-/m0/s1","InChI=1S/C3H6O.CH2O/c1-2-3-4;1-2/h2-4H,1H3;1H2/b3-2-;",73.06706,17.09618,
2233,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14])[H:7],[H:13][H:14].[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[O+:5]=[C-:6]1)[H:7],"InChI=1S/C4H8O2/c5-4-1-2-6-3-4/h4-5H,1-3H2/t4-/m0/s1","InChI=1S/C4H6O2.H2/c5-4-1-2-6-3-4;/h4-5H,1-2H2;1H/t4-;/m0./s1",74.52174000000001,66.87283000000001,
2234,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14])[H:7],[O:1]([C-:2]([C:3]([C:4](=[O+:5][C:6]([H:12])([H:13])[H:14])[H:11])([H:9])[H:10])[H:8])[H:7],"InChI=1S/C4H8O2/c5-4-1-2-6-3-4/h4-5H,1-3H2/t4-/m0/s1","InChI=1S/C4H8O2/c1-6-4-2-3-5/h3-5H,2H2,1H3",98.82866999999999,71.80946,
2235,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14])[H:7],[C:2]1[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14].[O:1]([H:7])[H:8],"InChI=1S/C4H8O2/c5-4-1-2-6-3-4/h4-5H,1-3H2/t4-/m0/s1","InChI=1S/C4H6O.H2O/c1-2-4-5-3-1;/h1,3-4H2;1H2",70.02526,80.60280999999999,
2236,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14])[H:7],[C@:2]1([C:3](=[C:4]([H:11])[H:12])[H:9])([H:8])[O:5][C:6]1([H:13])[H:14].[O:1]([H:7])[H:10],"InChI=1S/C4H8O2/c5-4-1-2-6-3-4/h4-5H,1-3H2/t4-/m0/s1","InChI=1S/C4H6O.H2O/c1-2-4-3-5-4;/h2,4H,1,3H2;1H2/t4-;/m1./s1",97.66419,29.31038,
2237,[C:1]([O:2][C:3]([C@@:4]1([H:12])[C:5]([H:13])([H:14])[N:6]1[H:15])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:2][C:3](=[C:4]([H:10])[H:12])[H:11])([H:7])([H:8])[H:9].[C:5](=[N:6][H:15])([H:13])[H:14],"InChI=1S/C4H9NO/c1-6-3-4-2-5-4/h4-5H,2-3H2,1H3/t4-/m1/s1","InChI=1S/C3H6O.CH3N/c1-3-4-2;1-2/h3H,1H2,2H3;2H,1H2",75.76082,4.591880000000001,
2238,[C:1]([O:2][C:3]([C@@:4]1([H:12])[C:5]([H:13])([H:14])[N:6]1[H:15])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:2][C:3](/[C:4](=[N:6]/[C:5]([H:13])([H:14])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-6-3-4-2-5-4/h4-5H,2-3H2,1H3/t4-/m1/s1","InChI=1S/C4H9NO/c1-5-3-4-6-2/h3H,4H2,1-2H3/b5-3+",63.13013,-9.74209,
2239,[C:1]([O:2][C:3]([C@@:4]1([H:12])[C:5]([H:13])([H:14])[N:6]1[H:15])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:2][C:3]([C@@:4]1([H:12])[C-:5]([H:13])[N+:6]1([H:14])[H:15])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-6-3-4-2-5-4/h4-5H,2-3H2,1H3/t4-/m1/s1","InChI=1S/C4H9NO/c1-6-3-4-2-5-4/h2,4H,3,5H2,1H3/t4-/m1/s1",62.61521,53.790459999999996,
2240,[C:1]([O:2][C:3]([C@@:4]1([H:12])[C:5]([H:13])([H:14])[N:6]1[H:15])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O+:2]=[C-:3][H:10])([H:7])([H:8])[H:9].[C:4]1([H:11])([H:12])[C:5]([H:13])([H:14])[N:6]1[H:15],"InChI=1S/C4H9NO/c1-6-3-4-2-5-4/h4-5H,2-3H2,1H3/t4-/m1/s1","InChI=1S/C2H5N.C2H4O/c1-2-3-1;1-3-2/h3H,1-2H2;1H,2H3",74.60358000000001,71.4819,
2241,[C:1]([O:2][C:3]([C@@:4]1([H:12])[C:5]([H:13])([H:14])[N:6]1[H:15])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:2][C:3]([C:4]([N:6]([C:5][H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-6-3-4-2-5-4/h4-5H,2-3H2,1H3/t4-/m1/s1","InChI=1S/C4H9NO/c1-5-3-4-6-2/h1,5H,3-4H2,2H3",70.90581,31.397140000000004,
2242,[C:1]([O:2][C:3]([C@@:4]1([H:12])[C:5]([H:13])([H:14])[N:6]1[H:15])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:2]/[C:3](=[C:4](\[N:6]=[C:5]([H:13])[H:14])[H:12])[H:10])([H:7])([H:8])[H:9].[H:11][H:15],"InChI=1S/C4H9NO/c1-6-3-4-2-5-4/h4-5H,2-3H2,1H3/t4-/m1/s1","InChI=1S/C4H7NO.H2/c1-5-3-4-6-2;/h3-4H,1H2,2H3;1H/b4-3-;",78.1295,13.54766,
2243,[C:1]([O:2][C:3]([C@@:4]1([H:12])[C:5]([H:13])([H:14])[N:6]1[H:15])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:2][C:3]([C:4][N:6]([C:5]([H:12])([H:13])[H:14])[H:15])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-6-3-4-2-5-4/h4-5H,2-3H2,1H3/t4-/m1/s1","InChI=1S/C4H9NO/c1-5-3-4-6-2/h5H,4H2,1-2H3",69.078,22.57378,
2244,[C:1]([O:2][C:3]([C@@:4]1([H:12])[C:5]([H:13])([H:14])[N:6]1[H:15])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:2][C:3]([C+:4]([N:6]([C-:5]([H:13])[H:14])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-6-3-4-2-5-4/h4-5H,2-3H2,1H3/t4-/m1/s1","InChI=1S/C4H9NO/c1-5-3-4-6-2/h3,5H,1,4H2,2H3",41.322379999999995,21.06459,
2245,[C:1]([O:2][C:3]([C@@:4]1([H:12])[C:5]([H:13])([H:14])[N:6]1[H:15])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:2][C:3]([C:4][C:5]([N:6]([H:12])[H:15])([H:13])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-6-3-4-2-5-4/h4-5H,2-3H2,1H3/t4-/m1/s1","InChI=1S/C4H9NO/c1-6-4-2-3-5/h3-5H2,1H3",58.85646,55.408159999999995,
2246,[C:1]([O:2][C:3]([C@@:4]1([H:12])[C:5]([H:13])([H:14])[N:6]1[H:15])([H:10])[H:11])([H:7])([H:8])[H:9],[C-:1]([O+:2]=[C:3]([C@@:4]1([H:12])[C:5]([H:13])([H:14])[N:6]1[H:15])[H:10])([H:7])[H:9].[H:8][H:11],"InChI=1S/C4H9NO/c1-6-3-4-2-5-4/h4-5H,2-3H2,1H3/t4-/m1/s1","InChI=1S/C4H7NO.H2/c1-6-3-4-2-5-4;/h3-5H,1-2H2;1H/t4-;/m1./s1",65.89095,70.44421,
2247,[C:1]([O:2][C:3]([C@@:4]1([H:12])[C:5]([H:13])([H:14])[N:6]1[H:15])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:2][C:3]([H:10])([H:11])[H:13])([H:7])([H:8])[H:9].[C:4]1([H:12])=[C:5]([H:14])[N:6]1[H:15],"InChI=1S/C4H9NO/c1-6-3-4-2-5-4/h4-5H,2-3H2,1H3/t4-/m1/s1",InChI=1S/C2H3N.C2H6O/c1-2-3-1;1-3-2/h1-3H;1-2H3,113.67233,64.59838,
2248,[C:1]([O:2][C:3]([C@@:4]1([H:12])[C:5]([H:13])([H:14])[N:6]1[H:15])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:2][C:3]([C-:4]1[C:5]([H:13])([H:14])[N+:6]1([H:12])[H:15])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-6-3-4-2-5-4/h4-5H,2-3H2,1H3/t4-/m1/s1","InChI=1S/C4H9NO/c1-6-3-4-2-5-4/h2-3,5H2,1H3",58.855140000000006,47.91598,
2249,[C:1]([O:2][C:3]([C@@:4]1([H:12])[C:5]([H:13])([H:14])[N:6]1[H:15])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:2][C@@:3]1([H:10])[C@:4]([C:5]([H:11])([H:13])[H:14])([H:12])[N:6]1[H:15])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-6-3-4-2-5-4/h4-5H,2-3H2,1H3/t4-/m1/s1","InChI=1S/C4H9NO/c1-3-4(5-3)6-2/h3-5H,1-2H3/t3-,4+/m1/s1",97.95925,-5.28982,
2250,[N:1]#[C:2][C:3]1([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13],[N+:1](#[C-:2])[C:3]1([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13],"InChI=1S/C5H7N/c6-4-5-2-1-3-5/h5H,1-3H2","InChI=1S/C5H7N/c1-6-5-3-2-4-5/h5H,2-4H2",59.5546,24.84839,
2251,[N:1]#[C:2][C:3]1([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13],[C:5](=[C:6]([H:12])[H:13])([H:10])[H:11].[N:1]#[C:2][C:3](=[C:4]([H:8])[H:9])[H:7],"InChI=1S/C5H7N/c6-4-5-2-1-3-5/h5H,1-3H2","InChI=1S/C3H3N.C2H4/c1-2-3-4;1-2/h2H,1H2;1-2H2",76.35449,18.57672,
2252,[N:1]#[C:2][C:3]1([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13],[N-:1]=[C:2]=[C+:3][C:4]([C:5]([C:6]([H:7])([H:12])[H:13])([H:10])[H:11])([H:8])[H:9],"InChI=1S/C5H7N/c6-4-5-2-1-3-5/h5H,1-3H2","InChI=1S/C5H7N/c1-2-3-4-5-6/h2-3H2,1H3",67.00591999999999,58.88802,
2253,[N:1]#[C:2][C:3]1([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13],[N:1]1([H:11])[C:2][C@@:3]2([H:7])[C:4]([H:8])([H:9])[C@:5]1([H:10])[C:6]2([H:12])[H:13],"InChI=1S/C5H7N/c6-4-5-2-1-3-5/h5H,1-3H2","InChI=1S/C5H7N/c1-4-2-5(1)6-3-4/h4-6H,1-2H2/t4-,5+",94.49785,63.55249,
2254,[N:1]#[C:2][C:3]1([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13],[N:1](=[C:2]=[C:3]1[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])[H:7],"InChI=1S/C5H7N/c6-4-5-2-1-3-5/h5H,1-3H2","InChI=1S/C5H7N/c6-4-5-2-1-3-5/h6H,1-3H2",82.95059,21.13156,
2255,[N:1]#[C:2][C:3]1([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13],[H:8][H:11].[N:1]#[C:2][C@@:3]1([H:7])[C:4]([H:9])=[C:5]([H:10])[C:6]1([H:12])[H:13],"InChI=1S/C5H7N/c6-4-5-2-1-3-5/h5H,1-3H2","InChI=1S/C5H5N.H2/c6-4-5-2-1-3-5;/h1-2,5H,3H2;1H/t5-;/m0./s1",113.77586000000001,34.63864,
2256,[N:1]#[C:2][C:3]1([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13],[N:1]#[C:2][C:3]([C:6]([C:5]([C:4][H:8])([H:10])[H:11])([H:12])[H:13])([H:7])[H:9],"InChI=1S/C5H7N/c6-4-5-2-1-3-5/h5H,1-3H2","InChI=1S/C5H7N/c1-2-3-4-5-6/h1H,2-4H2",79.58162,78.82061,
2257,[N:1]#[C:2][C:3]1([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13],[N:1]#[C:2][C:3](=[C:4]([H:8])[H:9])[C:6]([C:5]([H:7])([H:10])[H:11])([H:12])[H:13],"InChI=1S/C5H7N/c6-4-5-2-1-3-5/h5H,1-3H2","InChI=1S/C5H7N/c1-3-5(2)4-6/h2-3H2,1H3",112.83081000000001,-7.94193,
2258,[N:1]#[C:2][C:3]1([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13],[N:1]#[C:2][C@@:3]([C:4]([H:8])([H:9])[H:11])([C:6]([C:5][H:10])([H:12])[H:13])[H:7],"InChI=1S/C5H7N/c6-4-5-2-1-3-5/h5H,1-3H2","InChI=1S/C5H7N/c1-3-5(2)4-6/h1,5H,3H2,2H3/t5-/m0/s1",81.31161,78.59357,
2259,[N:1]#[C:2][C:3]1([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13],[N:1]#[C:2][C@@:3]([C:4]([C:5]([H:10])([H:11])[H:12])([H:8])[H:9])([C:6][H:13])[H:7],"InChI=1S/C5H7N/c6-4-5-2-1-3-5/h5H,1-3H2","InChI=1S/C5H7N/c1-3-5(2)4-6/h2,5H,3H2,1H3/t5-/m1/s1",94.10843,81.31971,
2260,[N:1]#[C:2][C:3]1([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13],[N:1]1([H:9])[C:2][C@@:3]2([H:7])[C@:4]1([H:8])[C:5]([H:10])([H:11])[C:6]2([H:12])[H:13],"InChI=1S/C5H7N/c6-4-5-2-1-3-5/h5H,1-3H2","InChI=1S/C5H7N/c1-2-5-4(1)3-6-5/h4-6H,1-2H2/t4-,5-/m0/s1",118.95682,70.87988,
2261,[N:1]#[C:2][C:3]1([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13],[H:7][H:12].[N:1]#[C:2][C:3]1=[C:6]([H:13])[C:5]([H:10])([H:11])[C:4]1([H:8])[H:9],"InChI=1S/C5H7N/c6-4-5-2-1-3-5/h5H,1-3H2","InChI=1S/C5H5N.H2/c6-4-5-2-1-3-5;/h2H,1,3H2;1H",106.75161999999999,29.681279999999997,
2262,[C:1]([n:2]1[n:3][c:4]([H:10])[n:5][n:6]1)([H:7])([H:8])[H:9],[C:1]([N:2]=[N:6][N:5]=[C:4]=[N:3][H:10])([H:7])([H:8])[H:9],"InChI=1S/C2H4N4/c1-6-4-2-3-5-6/h2H,1H3","InChI=1S/C2H4N4/c1-4-6-5-2-3/h3H,1H3",83.87364000000001,24.165960000000002,
2263,[C:1]([n:2]1[n:3][c:4]([H:10])[n:5][n:6]1)([H:7])([H:8])[H:9],[C:1]([N+:2]([N-:3][H:10])=[N:6][N+:5]#[C-:4])([H:7])([H:8])[H:9],"InChI=1S/C2H4N4/c1-6-4-2-3-5-6/h2H,1H3","InChI=1S/C2H4N4/c1-4-5-6(2)3/h3H,2H3",90.72214,66.69089,
2264,[C:1]([n:2]1[n:3][c:4]([H:10])[n:5][n:6]1)([H:7])([H:8])[H:9],[C:1]([N:2]=[N:3][C:4](=[N+:5]=[N-:6])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C2H4N4/c1-6-4-2-3-5-6/h2H,1H3","InChI=1S/C2H4N4/c1-4-6-2-5-3/h2H,1H3",48.51618,39.12273,
2265,[C:1]([n:2]1[n:3][c:4]([H:10])[n:5][n:6]1)([H:7])([H:8])[H:9],[C:1]([n:3]1[n:2][n:6][n:5][c:4]1[H:10])([H:7])([H:8])[H:9],"InChI=1S/C2H4N4/c1-6-4-2-3-5-6/h2H,1H3","InChI=1S/C2H4N4/c1-6-2-3-4-5-6/h2H,1H3",64.4279,3.9684199999999996,
2266,[C:1]([n:2]1[n:3][c:4]([H:10])[n:5][n:6]1)([H:7])([H:8])[H:9],[C:1]([N:2]1[N+:3]([H:10])=[C:4]=[N:5][N-:6]1)([H:7])([H:8])[H:9],"InChI=1S/C2H4N4/c1-6-4-2-3-5-6/h2H,1H3",InChI=1S/C2H3N4/c1-6-4-2-3-5-6/h1H3/q-1/p+1,83.90736,50.43889,
2267,[C:1]([n:2]1[n:3][c:4]([H:10])[n:5][n:6]1)([H:7])([H:8])[H:9],[C:1]([N-:2][N+:3]#[C:4][H:10])([H:7])([H:8])[H:9].[N:5]#[N:6],"InChI=1S/C2H4N4/c1-6-4-2-3-5-6/h2H,1H3","InChI=1S/C2H4N2.N2/c1-3-4-2;1-2/h1H,2H3;",32.28306,7.485539999999999,
2268,[C:1]([n:2]1[n:3][c:4]([H:10])[n:5][n:6]1)([H:7])([H:8])[H:9],[C:1]([N:2]1[N:3]=[C:4]=[N+:5]([H:10])[N-:6]1)([H:7])([H:8])[H:9],"InChI=1S/C2H4N4/c1-6-4-2-3-5-6/h2H,1H3","InChI=1S/C2H4N4/c1-6-4-2-3-5-6/h3H,1H3",82.59236,36.811479999999996,
2269,[C:1]([n:2]1[n:3][c:4]([H:10])[n:5][n:6]1)([H:7])([H:8])[H:9],[C:1]([N:2]=[N:6])([H:7])([H:8])[H:9].[N:3]=[C:4]=[N:5][H:10],"InChI=1S/C2H4N4/c1-6-4-2-3-5-6/h2H,1H3",InChI=1S/CH3N2.CHN2/c1-3-2;2-1-3/h1H3;2H,91.98544,47.3872,
2270,[C:1]([n:2]1[n:3][c:4]([H:10])[n:5][n:6]1)([H:7])([H:8])[H:9],[C:1]([N:2]=[N+:6]=[N-:5])([H:7])([H:8])[H:9].[N:3]#[C:4][H:10],"InChI=1S/C2H4N4/c1-6-4-2-3-5-6/h2H,1H3",InChI=1S/CH3N3.CHN/c1-3-4-2;1-2/h1H3;1H,48.51494,26.18136,
2271,[C:1]([n:2]1[n:3][c:4]([H:10])[n:5][n:6]1)([H:7])([H:8])[H:9],[C:1](=[N+:2]1[N:3]([H:8])[C:4]([H:10])=[N:5][N-:6]1)([H:7])[H:9],"InChI=1S/C2H4N4/c1-6-4-2-3-5-6/h2H,1H3","InChI=1S/C2H4N4/c1-6-4-2-3-5-6/h2H,1H2,(H,3,4,5)",76.33676,45.36892,
2272,[N:1]([c:2]1[c:3]([H:9])[n:4]([H:10])[n:5][c:6]1[H:11])([H:7])[H:8],[N:1]([C:2]1=[C-:3][N+:4]([H:9])([H:10])[N:5]=[C:6]1[H:11])([H:7])[H:8],"InChI=1S/C3H5N3/c4-3-1-5-6-2-3/h1-2H,4H2,(H,5,6)","InChI=1S/C3H5N3/c4-3-1-5-6-2-3/h1H,4,6H2",80.96415999999999,68.14056,
2273,[N:1]([c:2]1[c:3]([H:9])[n:4]([H:10])[n:5][c:6]1[H:11])([H:7])[H:8],[N:1]([c:2]1[c+:3]([H:9])[n:4]([H:10])[n:5]([H:11])[c-:6]1)([H:7])[H:8],"InChI=1S/C3H5N3/c4-3-1-5-6-2-3/h1-2H,4H2,(H,5,6)","InChI=1S/C3H5N3/c4-3-1-5-6-2-3/h1,5-6H,4H2",74.55641999999999,51.383590000000005,
2274,[N:1]([c:2]1[c:3]([H:9])[n:4]([H:10])[n:5][c:6]1[H:11])([H:7])[H:8],[N:1]([C:2]1=[C:6]([H:11])[C@:3]1([N:4]([N:5])[H:10])[H:9])([H:7])[H:8],"InChI=1S/C3H5N3/c4-3-1-5-6-2-3/h1-2H,4H2,(H,5,6)","InChI=1S/C3H5N3/c4-2-1-3(2)6-5/h1,3,6H,4H2/t3-/m1/s1",127.18888000000001,84.18941,
2275,[N:1]([c:2]1[c:3]([H:9])[n:4]([H:10])[n:5][c:6]1[H:11])([H:7])[H:8],[N-:4]([N+:5]#[C:6][H:11])[H:10].[N:1]([C:2]#[C:3][H:9])([H:7])[H:8],"InChI=1S/C3H5N3/c4-3-1-5-6-2-3/h1-2H,4H2,(H,5,6)","InChI=1S/C2H3N.CH2N2/c1-2-3;1-3-2/h1H,3H2;1-2H",97.74476,92.87539,
2276,[N:1]([c:2]1[c:3]([H:9])[n:4]([H:10])[n:5][c:6]1[H:11])([H:7])[H:8],[N:1]([C:2]1=[C:6]([H:11])[N:5]=[N:4][C:3]1([H:9])[H:10])([H:7])[H:8],"InChI=1S/C3H5N3/c4-3-1-5-6-2-3/h1-2H,4H2,(H,5,6)","InChI=1S/C3H5N3/c4-3-1-5-6-2-3/h1H,2,4H2",45.67817,21.915670000000002,
2277,[N:1]([c:2]1[c:3]([H:9])[n:4]([H:10])[n:5][c:6]1[H:11])([H:7])[H:8],[N:1](=[C:2]1[C+:3]([H:9])[N:4]([H:10])[N-:5][C:6]1([H:7])[H:11])[H:8],"InChI=1S/C3H5N3/c4-3-1-5-6-2-3/h1-2H,4H2,(H,5,6)","InChI=1S/C3H5N3/c4-3-1-5-6-2-3/h1,4-5H,2H2",76.47844,33.44446,
2278,[N:1]([c:2]1[c:3]([H:9])[n:4]([H:10])[n:5][c:6]1[H:11])([H:7])[H:8],[N:1]([C:3](=[C:2]=[C:6](/[N:5]=[N:4]/[H:10])[H:11])[H:9])([H:7])[H:8],"InChI=1S/C3H5N3/c4-3-1-5-6-2-3/h1-2H,4H2,(H,5,6)","InChI=1S/C3H5N3/c4-2-1-3-6-5/h2-3,5H,4H2/b6-5+",99.48151,58.16433000000001,
2279,[N:1]([c:2]1[c:3]([H:9])[n:4]([H:10])[n:5][c:6]1[H:11])([H:7])[H:8],[N:1]([C@@:2]1([H:9])[C:3][N:4]([H:10])[N:5]=[C:6]1[H:11])([H:7])[H:8],"InChI=1S/C3H5N3/c4-3-1-5-6-2-3/h1-2H,4H2,(H,5,6)","InChI=1S/C3H5N3/c4-3-1-5-6-2-3/h1,3,6H,4H2/t3-/m1/s1",63.18649,62.46878,Singlet_Carbene_Intra_Disproportionation
2280,[N:1]([c:2]1[c:3]([H:9])[n:4]([H:10])[n:5][c:6]1[H:11])([H:7])[H:8],[N:1](=[C:2]1/[C:3]([H:7])([H:9])[N:4]([H:10])[N:5]=[C:6]1[H:11])\[H:8],"InChI=1S/C3H5N3/c4-3-1-5-6-2-3/h1-2H,4H2,(H,5,6)","InChI=1S/C3H5N3/c4-3-1-5-6-2-3/h1,4,6H,2H2/b4-3+",73.34866,15.648470000000001,
2281,[N:1]([c:2]1[c:3]([H:9])[n:4]([H:10])[n:5][c:6]1[H:11])([H:7])[H:8],[N:1]([C:2](=[C+:3][N:4]([H:9])[H:10])[C:6](=[N-:5])[H:11])([H:7])[H:8],"InChI=1S/C3H5N3/c4-3-1-5-6-2-3/h1-2H,4H2,(H,5,6)","InChI=1S/C3H5N3/c4-1-3(6)2-5/h1H,5-6H2",80.89728000000001,62.512919999999994,
2282,[N:1]([c:2]1[c:3]([H:9])[n:4]([H:10])[n:5][c:6]1[H:11])([H:7])[H:8],[N:1](=[C:2]1[C-:3]([H:9])[N+:4]([H:8])([H:10])[N:5]=[C:6]1[H:11])[H:7],"InChI=1S/C3H5N3/c4-3-1-5-6-2-3/h1-2H,4H2,(H,5,6)","InChI=1S/C3H5N3/c4-3-1-5-6-2-3/h1-2,4H,5H2",119.57161,63.99403,
2283,[N:1]([c:2]1[c:3]([H:9])[n:4]([H:10])[n:5][c:6]1[H:11])([H:7])[H:8],[N+:1]([c-:2]1[c:3]([H:9])[n:4][n:5][c:6]1[H:11])([H:7])([H:8])[H:10],"InChI=1S/C3H5N3/c4-3-1-5-6-2-3/h1-2H,4H2,(H,5,6)","InChI=1S/C3H5N3/c4-3-1-5-6-2-3/h1-2H,4H3",121.24474,49.910940000000004,
2284,[N:1]([c:2]1[c:3]([H:9])[n:4]([H:10])[n:5][c:6]1[H:11])([H:7])[H:8],[N:1]([C@@:2]1(/[C:3](=[N:4]/[H:10])[H:9])[N:5]=[C:6]1[H:11])([H:7])[H:8],"InChI=1S/C3H5N3/c4-3-1-5-6-2-3/h1-2H,4H2,(H,5,6)","InChI=1S/C3H5N3/c4-1-3(5)2-6-3/h1-2,4H,5H2/b4-1+/t3-/m0/s1",57.794959999999996,38.577690000000004,
2285,[N:1]([c:2]1[c:3]([H:9])[n:4]([H:10])[n:5][c:6]1[H:11])([H:7])[H:8],[N+:1]([c:2]1[c:3]([H:9])[n:4]([H:10])[n:5][c-:6]1)([H:7])([H:8])[H:11],"InChI=1S/C3H5N3/c4-3-1-5-6-2-3/h1-2H,4H2,(H,5,6)","InChI=1S/C3H4N3/c4-3-1-5-6-2-3/h1H,4H2,(H,5,6)/q-1/p+1",78.84029,79.58273,
2286,[N:1]([c:2]1[c:3]([H:9])[n:4]([H:10])[n:5][c:6]1[H:11])([H:7])[H:8],[N:1]([C:2]1=[C:3]([H:9])[C@:6]1(/[N:5]=[N:4]/[H:10])[H:11])([H:7])[H:8],"InChI=1S/C3H5N3/c4-3-1-5-6-2-3/h1-2H,4H2,(H,5,6)","InChI=1S/C3H5N3/c4-2-1-3(2)6-5/h1,3,5H,4H2/b6-5+/t3-/m1/s1",88.37548000000001,70.75888,
2287,[N:1]([c:2]1[c:3]([H:9])[n:4]([H:10])[n:5][c:6]1[H:11])([H:7])[H:8],[N:1]([C@@:2](/[C:3](=[N:4]/[H:10])[H:9])([C:6]#[N:5])[H:11])([H:7])[H:8],"InChI=1S/C3H5N3/c4-3-1-5-6-2-3/h1-2H,4H2,(H,5,6)","InChI=1S/C3H5N3/c4-1-3(6)2-5/h1,3-4H,6H2/b4-1+/t3-/m0/s1",81.64192,11.95295,
2288,[N:1]([c:2]1[c:3]([H:9])[n:4]([H:10])[n:5][c:6]1[H:11])([H:7])[H:8],[N+:1]([c:2]1[c-:3][n:4]([H:10])[n:5][c:6]1[H:11])([H:7])([H:8])[H:9],"InChI=1S/C3H5N3/c4-3-1-5-6-2-3/h1-2H,4H2,(H,5,6)","InChI=1S/C3H4N3/c4-3-1-5-6-2-3/h1H,4H2,(H,5,6)/q-1/p+1",68.98423000000001,64.5728,
2289,[N:1]([c:2]1[c:3]([H:9])[n:4]([H:10])[n:5][c:6]1[H:11])([H:7])[H:8],[H:7][H:10].[N:1](=[C:2]1[C:3]([H:9])=[N:4][N:5]=[C:6]1[H:11])[H:8],"InChI=1S/C3H5N3/c4-3-1-5-6-2-3/h1-2H,4H2,(H,5,6)","InChI=1S/C3H3N3.H2/c4-3-1-5-6-2-3;/h1-2,4H;1H",122.11442,50.348209999999995,
2290,[N:1]([c:2]1[c:3]([H:9])[n:4]([H:10])[n:5][c:6]1[H:11])([H:7])[H:8],[N+:1]1([H:7])([H:8])[C:2]([C:6](=[N:5][N:4]([H:9])[H:10])[H:11])=[C-:3]1,"InChI=1S/C3H5N3/c4-3-1-5-6-2-3/h1-2H,4H2,(H,5,6)","InChI=1S/C3H5N3/c4-6-2-3-1-5-3/h2H,4-5H2",92.03418,93.34241999999999,
2291,[N:1]([c:2]1[c:3]([H:9])[n:4]([H:10])[n:5][c:6]1[H:11])([H:7])[H:8],[H:7][H:9].[N-:1]([C:2]1=[C:3]=[N+:4]([H:10])[N:5]=[C:6]1[H:11])[H:8],"InChI=1S/C3H5N3/c4-3-1-5-6-2-3/h1-2H,4H2,(H,5,6)","InChI=1S/C3H2N3.H2/c4-3-1-5-6-2-3;/h1,4H;1H/q-1;/p+1",102.29851,77.72964,
2292,[N:1]([c:2]1[c:3]([H:9])[n:4]([H:10])[n:5][c:6]1[H:11])([H:7])[H:8],[N:1]([C:2]([C:3](=[N:4][H:10])[H:9])=[C:6]=[N:5][H:11])([H:7])[H:8],"InChI=1S/C3H5N3/c4-3-1-5-6-2-3/h1-2H,4H2,(H,5,6)","InChI=1S/C3H5N3/c4-1-3(6)2-5/h1,4-5H,6H2",74.5636,19.27114,
2293,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]([O:5][H:14])([H:13])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:6]([H:15])[H:16])[H:10])([H:7])([H:8])[H:9].[C:3](=[C:4]([O:5][H:14])[H:13])([H:11])[H:12],"InChI=1S/C5H10O/c1-4-2-5(6)3-4/h4-6H,2-3H2,1H3/t4-,5+","InChI=1S/C3H6.C2H4O/c1-3-2;1-2-3/h3H,1H2,2H3;2-3H,1H2",72.76034,12.53004,
2294,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]([O:5][H:14])([H:13])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:15].[C:2]1([H:10])=[C:6]([H:16])[C@@:4]([O:5][H:14])([H:13])[C:3]1([H:11])[H:12],"InChI=1S/C5H10O/c1-4-2-5(6)3-4/h4-6H,2-3H2,1H3/t4-,5+","InChI=1S/C4H6O.CH4/c5-4-2-1-3-4;/h1-2,4-5H,3H2;1H4/t4-;/m0./s1",104.41027,23.704729999999998,
2295,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]([O:5][H:14])([H:13])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]([H:11])[H:12])[C:6]([C:4]([O:5][H:14])([H:10])[H:13])([H:15])[H:16])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-4-2-5(6)3-4/h4-6H,2-3H2,1H3/t4-,5+","InChI=1S/C5H10O/c1-5(2)3-4-6/h6H,1,3-4H2,2H3",63.81559,-2.59214,
2296,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]([O:5][H:14])([H:13])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:6]([C:4][O:5][H:14])([H:15])[H:16])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-4-2-5(6)3-4/h4-6H,2-3H2,1H3/t4-,5+","InChI=1S/C5H10O/c1-5(2)3-4-6/h5-6H,3H2,1-2H3",56.47964,40.78787,
2297,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]([O:5][H:14])([H:13])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:10].[C:2]1[C:3]([H:11])([H:12])[C:4]([O:5][H:14])([H:13])[C:6]1([H:15])[H:16],"InChI=1S/C5H10O/c1-4-2-5(6)3-4/h4-6H,2-3H2,1H3/t4-,5+","InChI=1S/C4H6O.CH4/c5-4-2-1-3-4;/h4-5H,2-3H2;1H4",86.73054,93.42687,
2298,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]([O:5][H:14])([H:13])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@@:6]1([C:4](=[O:5])[H:13])[H:16])([H:7])([H:8])[H:9].[H:14][H:15],"InChI=1S/C5H10O/c1-4-2-5(6)3-4/h4-6H,2-3H2,1H3/t4-,5+","InChI=1S/C5H8O.H2/c1-4-2-5(4)3-6;/h3-5H,2H2,1H3;1H/t4-,5+;/m0./s1",82.72434,17.65494,
2299,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]([O:5][H:14])([H:13])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:12])=[C:4]([H:13])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9].[O:5]([H:11])[H:14],"InChI=1S/C5H10O/c1-4-2-5(6)3-4/h4-6H,2-3H2,1H3/t4-,5+","InChI=1S/C5H8.H2O/c1-5-3-2-4-5;/h2-3,5H,4H2,1H3;1H2/t5-;/m0./s1",63.347530000000006,17.496389999999998,"1,3_Insertion_ROR"
2300,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]([O:5][H:14])([H:13])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([C:2]1([H:10])[C:3]([H:11])([H:12])[C:4](=[O:5])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9].[H:13][H:14],"InChI=1S/C5H10O/c1-4-2-5(6)3-4/h4-6H,2-3H2,1H3/t4-,5+","InChI=1S/C5H8O.H2/c1-4-2-5(6)3-4;/h4H,2-3H2,1H3;1H",75.58718,12.28254,
2301,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]([O:5][H:14])([H:13])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([C@@:4]([O:5][H:14])([C:6][H:15])[H:13])([H:11])[H:12])([H:10])[H:16])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-4-2-5(6)3-4/h4-6H,2-3H2,1H3/t4-,5+","InChI=1S/C5H10O/c1-3-4-5(2)6/h2,5-6H,3-4H2,1H3/t5-/m0/s1",81.13636,78.13518,
2302,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]([O:5][H:14])([H:13])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]1([C:6]([O:5][H:14])([H:15])[H:16])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-4-2-5(6)3-4/h4-6H,2-3H2,1H3/t4-,5+","InChI=1S/C5H10O/c1-4-2-5(4)3-6/h4-6H,2-3H2,1H3/t4-,5-/m0/s1",79.83037,5.488580000000001,
2303,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]([O:5][H:14])([H:13])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:11])([H:12])[H:14])([C:6]([C:4](=[O:5])[H:13])([H:15])[H:16])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-4-2-5(6)3-4/h4-6H,2-3H2,1H3/t4-,5+","InChI=1S/C5H10O/c1-5(2)3-4-6/h4-5H,3H2,1-2H3",64.84057,-14.47299,
2304,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]([O:5][H:14])([H:13])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([C:2]1([H:10])[C:3]([H:11])([H:12])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9].[C:4]([O:5][H:14])[H:13],"InChI=1S/C5H10O/c1-4-2-5(6)3-4/h4-6H,2-3H2,1H3/t4-,5+","InChI=1S/C4H8.CH2O/c1-4-2-3-4;1-2/h4H,2-3H2,1H3;1-2H",94.79625,80.32709,
2305,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]([O:5][H:14])([H:13])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([C:2][C:6]([C@@:4]([C:3]([H:10])([H:11])[H:12])([O:5][H:14])[H:13])([H:15])[H:16])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-4-2-5(6)3-4/h4-6H,2-3H2,1H3/t4-,5+","InChI=1S/C5H10O/c1-3-4-5(2)6/h5-6H,4H2,1-2H3/t5-/m1/s1",72.23245,67.83801,
2306,[O:1]=[C:2]([C:3]#[C:4][H:6])[H:5],[O:1]=[C:2]([C:4](=[C:3])[H:6])[H:5],"InChI=1S/C3H2O/c1-2-3-4/h1,3H",InChI=1S/C3H2O/c1-2-3-4/h2-3H,50.44197,46.55867,Singlet_Carbene_Intra_Disproportionation
2307,[O:1]=[C:2]([C:3]#[C:4][H:6])[H:5],[O:1]=[C:2]=[C:3]=[C:4]([H:5])[H:6],"InChI=1S/C3H2O/c1-2-3-4/h1,3H",InChI=1S/C3H2O/c1-2-3-4/h1H2,75.27991,-9.46935,
2308,[O:1]=[C:2]([C:3]#[C:4][H:6])[H:5],[O+:1]#[C:2][C:3](=[C-:4][H:6])[H:5],"InChI=1S/C3H2O/c1-2-3-4/h1,3H",InChI=1S/C3H2O/c1-2-3-4/h1-2H,56.81899,15.920279999999998,
2309,[O:1]=[C:2]([C:3]#[C:4][H:6])[H:5],[C:3](#[C:4][H:6])[H:5].[O+:1]#[C-:2],"InChI=1S/C3H2O/c1-2-3-4/h1,3H",InChI=1S/C2H2.CO/c2*1-2/h1-2H;,71.89288,-0.28093,"1,2_Insertion_CO"
2310,[O:1]([c:2]1[c:3]([H:8])[c:4]([H:9])[n:5][n:6]1[H:10])[H:7],[O:1]([C@:2]1([H:8])[C+:3]=[C:4]([H:9])[N-:5][N:6]1[H:10])[H:7],"InChI=1S/C3H4N2O/c6-3-1-2-4-5-3/h1-2H,(H2,4,5,6)","InChI=1S/C3H4N2O/c6-3-1-2-4-5-3/h2-3,5-6H/t3-/m1/s1",78.12987,79.41462,Singlet_Carbene_Intra_Disproportionation
2311,[O:1]([c:2]1[c:3]([H:8])[c:4]([H:9])[n:5][n:6]1[H:10])[H:7],[O:1]([c:2]1[c:3]([H:8])[c:4]([H:9])[n:5]([H:10])[n:6]1)[H:7],"InChI=1S/C3H4N2O/c6-3-1-2-4-5-3/h1-2H,(H2,4,5,6)","InChI=1S/C3H4N2O/c6-3-1-2-4-5-3/h1-2H,(H2,4,5,6)",43.952870000000004,-0.1292,
2312,[O:1]([c:2]1[c:3]([H:8])[c:4]([H:9])[n:5][n:6]1[H:10])[H:7],[O:1]([C:2](=[C:3]([H:8])[H:9])[N:6]([N+:5]#[C-:4])[H:10])[H:7],"InChI=1S/C3H4N2O/c6-3-1-2-4-5-3/h1-2H,(H2,4,5,6)","InChI=1S/C3H4N2O/c1-3(6)5-4-2/h5-6H,1H2",81.90016999999999,55.796380000000006,
2313,[O:1]([c:2]1[c:3]([H:8])[c:4]([H:9])[n:5][n:6]1[H:10])[H:7],[O:1]([C:2][C@@:3]1([H:8])[C:4]([H:9])=[N:5][N:6]1[H:10])[H:7],"InChI=1S/C3H4N2O/c6-3-1-2-4-5-3/h1-2H,(H2,4,5,6)","InChI=1S/C3H4N2O/c6-2-3-1-4-5-3/h1,3,5-6H/t3-/m1/s1",115.25705,106.26437,
2315,[O:1]([c:2]1[c:3]([H:8])[c:4]([H:9])[n:5][n:6]1[H:10])[H:7],[O:1]=[c:2]1[c:3]([H:8])[c:4]([H:9])[n:5]([H:7])[n:6]1[H:10],"InChI=1S/C3H4N2O/c6-3-1-2-4-5-3/h1-2H,(H2,4,5,6)","InChI=1S/C3H4N2O/c6-3-1-2-4-5-3/h1-2H,(H2,4,5,6)",101.73848000000001,3.7639199999999997,
2316,[O:1]([c:2]1[c:3]([H:8])[c:4]([H:9])[n:5][n:6]1[H:10])[H:7],[O:1]([C@@:2]1([H:10])[C:3]([H:8])=[C:4]([H:9])[N:5]=[N:6]1)[H:7],"InChI=1S/C3H4N2O/c6-3-1-2-4-5-3/h1-2H,(H2,4,5,6)","InChI=1S/C3H4N2O/c6-3-1-2-4-5-3/h1-3,6H/t3-/m0/s1",50.381370000000004,36.78867,
2317,[O:1]([c:2]1[c:3]([H:8])[c:4]([H:9])[n:5][n:6]1[H:10])[H:7],[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])=[N:5][N:6]1[H:10],"InChI=1S/C3H4N2O/c6-3-1-2-4-5-3/h1-2H,(H2,4,5,6)","InChI=1S/C3H4N2O/c6-3-1-2-4-5-3/h2H,1H2,(H,5,6)",56.69732,-0.71396,ketoenol
2318,[O:1]([c:2]1[c:3]([H:8])[c:4]([H:9])[n:5][n:6]1[H:10])[H:7],[O:1](/[C:2]([C@:3]1([H:8])[C:4]([H:9])=[N:5]1)=[N:6]\[H:10])[H:7],"InChI=1S/C3H4N2O/c6-3-1-2-4-5-3/h1-2H,(H2,4,5,6)","InChI=1S/C3H4N2O/c4-3(6)2-1-5-2/h1-2H,(H2,4,6)/t2-/m0/s1",71.91681,31.33656,
2319,[O:1]([c:2]1[c:3]([H:8])[c:4]([H:9])[n:5][n:6]1[H:10])[H:7],[C:4](#[N+:5][N-:6][H:10])[H:9].[O:1]([C:2]#[C:3][H:8])[H:7],"InChI=1S/C3H4N2O/c6-3-1-2-4-5-3/h1-2H,(H2,4,5,6)","InChI=1S/C2H2O.CH2N2/c1-2-3;1-3-2/h1,3H;1-2H",106.5081,101.20591,
2320,[O:1]([c:2]1[c:3]([H:8])[c:4]([H:9])[n:5][n:6]1[H:10])[H:7],[O:1]([C@@:3]1([H:8])[C:2][N:6]([H:10])[N:5]=[C:4]1[H:9])[H:7],"InChI=1S/C3H4N2O/c6-3-1-2-4-5-3/h1-2H,(H2,4,5,6)","InChI=1S/C3H4N2O/c6-3-1-4-5-2-3/h1,3,5-6H/t3-/m1/s1",92.73976,68.37043,
2321,[O:1]([c:2]1[c:3]([H:8])[c:4]([H:9])[n:5][n:6]1[H:10])[H:7],[O:1](/[C:2]([C:3]([C:4]#[N:5])([H:8])[H:9])=[N:6]\[H:10])[H:7],"InChI=1S/C3H4N2O/c6-3-1-2-4-5-3/h1-2H,(H2,4,5,6)","InChI=1S/C3H4N2O/c4-2-1-3(5)6/h1H2,(H2,5,6)",71.36616,-5.37531,
2322,[O:1]([c:2]1[c:3]([H:8])[c:4]([H:9])[n:5][n:6]1[H:10])[H:7],[O:1]([c+:2]1[c:3]([H:8])[c-:4][n:5]([H:9])[n:6]1[H:10])[H:7],"InChI=1S/C3H4N2O/c6-3-1-2-4-5-3/h1-2H,(H2,4,5,6)","InChI=1S/C3H4N2O/c6-3-1-2-4-5-3/h1,4-6H",74.29088,52.51396999999999,
2323,[O:1]([c:2]1[c:3]([H:8])[c:4]([H:9])[n:5][n:6]1[H:10])[H:7],[O:1]([C:2](=[C:3]=[C:4](/[N:5]=[N:6]/[H:10])[H:9])[H:8])[H:7],"InChI=1S/C3H4N2O/c6-3-1-2-4-5-3/h1-2H,(H2,4,5,6)","InChI=1S/C3H4N2O/c4-5-2-1-3-6/h2-4,6H/b5-4+",78.15005,61.586259999999996,
2324,[O:1]([c:2]1[c:3]([H:8])[c:4]([H:9])[n:5][n:6]1[H:10])[H:7],[O:1]=[C:2]1[C:3]([H:8])=[C:4]([H:9])[N-:5][N+:6]1([H:7])[H:10],"InChI=1S/C3H4N2O/c6-3-1-2-4-5-3/h1-2H,(H2,4,5,6)","InChI=1S/C3H4N2O/c6-3-1-2-4-5-3/h1-2H,5H2",53.935140000000004,18.51265,
2325,[O:1]([c:2]1[c:3]([H:8])[c:4]([H:9])[n:5][n:6]1[H:10])[H:7],[O:1]([C:2]1=[C+:3][C:4]([H:8])([H:9])[N-:5][N:6]1[H:10])[H:7],"InChI=1S/C3H4N2O/c6-3-1-2-4-5-3/h1-2H,(H2,4,5,6)","InChI=1S/C3H4N2O/c6-3-1-2-4-5-3/h5-6H,2H2",75.94836,74.22518000000001,
2326,[O:1]([c:2]1[c:3]([H:8])[c:4]([H:9])[n:5][n:6]1[H:10])[H:7],[O:1]([C@@:2]12[C:3]([H:8])=[C:4]([H:9])[N:5]1[N:6]2[H:10])[H:7],"InChI=1S/C3H4N2O/c6-3-1-2-4-5-3/h1-2H,(H2,4,5,6)","InChI=1S/C3H4N2O/c6-3-1-2-5(3)4-3/h1-2,4,6H/t3-,5?/m1/s1",87.89544000000001,79.85967,
2327,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4]1([H:14])[C:5]([H:15])([H:16])[C:6]1([H:17])[H:18])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2][C:3]([H:11])([H:12])[H:13])([H:7])([H:8])[H:9].[C:4]1([H:10])([H:14])[C:5]([H:15])([H:16])[C:6]1([H:17])[H:18],"InChI=1S/C6H12/c1-5(2)6-3-4-6/h5-6H,3-4H2,1-2H3",InChI=1S/2C3H6/c1-2-3-1;1-3-2/h1-3H2;1-2H3,86.92654,96.55736,
2328,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4]1([H:14])[C:5]([H:15])([H:16])[C:6]1([H:17])[H:18])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]([H:12])[H:13])[C:4]1([H:14])[C:5]([H:15])([H:16])[C:6]1([H:17])[H:18])([H:7])([H:8])[H:9].[H:10][H:11],"InChI=1S/C6H12/c1-5(2)6-3-4-6/h5-6H,3-4H2,1-2H3","InChI=1S/C6H10.H2/c1-5(2)6-3-4-6;/h6H,1,3-4H2,2H3;1H",103.82478,28.196009999999998,
2329,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4]1([H:14])[C:5]([H:15])([H:16])[C:6]1([H:17])[H:18])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]([H:12])[H:13])[H:10])([H:7])([H:8])[H:9].[C:4]1([H:14])=[C:6]([H:18])[C:5]1([H:15])[H:16].[H:11][H:17],"InChI=1S/C6H12/c1-5(2)6-3-4-6/h5-6H,3-4H2,1-2H3","InChI=1S/C3H4.C3H6.H2/c1-2-3-1;1-3-2;/h1-2H,3H2;3H,1H2,2H3;1H",93.61091,77.27738000000001,
2330,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4]1([H:14])[C:5]([H:15])([H:16])[C:6]1([H:17])[H:18])[H:10])([H:7])([H:8])[H:9],[C:1]([C:6]([C@@:4]1([H:14])[C@@:2]([C:3]([H:11])([H:12])[H:13])([H:10])[C:5]1([H:15])[H:16])([H:17])[H:18])([H:7])([H:8])[H:9],"InChI=1S/C6H12/c1-5(2)6-3-4-6/h5-6H,3-4H2,1-2H3","InChI=1S/C6H12/c1-3-6-4-5(6)2/h5-6H,3-4H2,1-2H3/t5-,6-/m1/s1",106.33988000000001,-0.44748000000000004,
2331,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4]1([H:14])[C:5]([H:15])([H:16])[C:6]1([H:17])[H:18])[H:10])([H:7])([H:8])[H:9],[C:1](/[C:4](=[C:2](/[C:3]([H:11])([H:12])[H:13])[H:10])[H:14])([H:7])([H:8])[H:9].[C:5](=[C:6]([H:17])[H:18])([H:15])[H:16],"InChI=1S/C6H12/c1-5(2)6-3-4-6/h5-6H,3-4H2,1-2H3","InChI=1S/C4H8.C2H4/c1-3-4-2;1-2/h3-4H,1-2H3;1-2H2/b4-3+;",96.69851,14.88444,
2332,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4]1([H:14])[C:5]([H:15])([H:16])[C:6]1([H:17])[H:18])[H:10])([H:7])([H:8])[H:9],[C:1](/[C:2](=[C:4](/[C:5](=[C:6]([H:17])[H:18])[H:15])[H:14])[H:10])([H:7])([H:8])[H:9].[C:3]([H:11])([H:12])([H:13])[H:16],"InChI=1S/C6H12/c1-5(2)6-3-4-6/h5-6H,3-4H2,1-2H3","InChI=1S/C5H8.CH4/c1-3-5-4-2;/h3-5H,1H2,2H3;1H4/b5-4+;",93.10354,7.3692899999999995,
2333,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4]1([H:14])[C:5]([H:15])([H:16])[C:6]1([H:17])[H:18])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4][C:5]([C:6]([H:14])([H:17])[H:18])([H:15])[H:16])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C6H12/c1-5(2)6-3-4-6/h5-6H,3-4H2,1-2H3","InChI=1S/C6H12/c1-4-5-6(2)3/h6H,4H2,1-3H3",65.92002,67.97106,
2334,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4]1([H:14])[C:5]([H:15])([H:16])[C:6]1([H:17])[H:18])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])=[C:4]([C:6](=[C:5]([H:15])[H:16])[H:18])[H:14])([H:7])([H:8])[H:9].[H:10][H:17],"InChI=1S/C6H12/c1-5(2)6-3-4-6/h5-6H,3-4H2,1-2H3","InChI=1S/C6H10.H2/c1-4-5-6(2)3;/h4-5H,1H2,2-3H3;1H",91.07811,18.386129999999998,
2335,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4]1([H:14])[C:5]([H:15])([H:16])[C:6]1([H:17])[H:18])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]([H:12])[H:13])[H:10])([H:7])([H:8])[H:9].[C:4]([C:5]([H:11])([H:15])[H:16])(=[C:6]([H:17])[H:18])[H:14],"InChI=1S/C6H12/c1-5(2)6-3-4-6/h5-6H,3-4H2,1-2H3","InChI=1S/2C3H6/c2*1-3-2/h2*3H,1H2,2H3",68.64752,14.43247,
2336,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4]1([H:14])[C:5]([H:15])([H:16])[C:6]1([H:17])[H:18])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2][C:4]1([H:14])[C:5]([H:15])([H:16])[C:6]1([H:17])[H:18])([H:7])([H:8])[H:9].[C:3]([H:10])([H:11])([H:12])[H:13],"InChI=1S/C6H12/c1-5(2)6-3-4-6/h5-6H,3-4H2,1-2H3","InChI=1S/C5H8.CH4/c1-2-5-3-4-5;/h5H,3-4H2,1H3;1H4",79.67584000000001,81.44224,
2337,[O:1]([C:2]([C:3]([C:4]([C:5]#[C:6][H:14])([H:12])[H:13])([H:10])[H:11])([H:8])[H:9])[H:7],[O:1]([C:2]([C:3]([C:4]([C:6](=[C:5])[H:14])([H:12])[H:13])([H:10])[H:11])([H:8])[H:9])[H:7],"InChI=1S/C5H8O/c1-2-3-4-5-6/h1,6H,3-5H2","InChI=1S/C5H8O/c1-2-3-4-5-6/h2,6H,3-5H2",58.04448000000001,52.02945,Singlet_Carbene_Intra_Disproportionation
2338,[O:1]([C:2]([C:3]([C:4]([C:5]#[C:6][H:14])([H:12])[H:13])([H:10])[H:11])([H:8])[H:9])[H:7],[O:1]([C:2]([C:3]([C:4](=[C:5]=[C:6]([H:13])[H:14])[H:12])([H:10])[H:11])([H:8])[H:9])[H:7],"InChI=1S/C5H8O/c1-2-3-4-5-6/h1,6H,3-5H2","InChI=1S/C5H8O/c1-2-3-4-5-6/h3,6H,1,4-5H2",69.69954,-6.15493,
2339,[O:1]([C:2]([C:3]([C:4]([C:5]#[C:6][H:14])([H:12])[H:13])([H:10])[H:11])([H:8])[H:9])[H:7],[C:2](=[C:3]([C:4]([C:5]#[C:6][H:14])([H:12])[H:13])[H:11])([H:8])[H:9].[O:1]([H:7])[H:10],"InChI=1S/C5H8O/c1-2-3-4-5-6/h1,6H,3-5H2","InChI=1S/C5H6.H2O/c1-3-5-4-2;/h1,4H,2,5H2;1H2",60.772259999999996,11.1097,"1,3_Insertion_ROR"
2340,[O:1]([C:2]([C:3]([C:4]([C:5]#[C:6][H:14])([H:12])[H:13])([H:10])[H:11])([H:8])[H:9])[H:7],[O:1]([C@:6]1([H:14])[C:2]([H:8])([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]1)[H:7],"InChI=1S/C5H8O/c1-2-3-4-5-6/h1,6H,3-5H2","InChI=1S/C5H8O/c6-5-3-1-2-4-5/h5-6H,1-3H2/t5-/m1/s1",94.17843,44.46091,
2341,[O:1]([C:2]([C:3]([C:4]([C:5]#[C:6][H:14])([H:12])[H:13])([H:10])[H:11])([H:8])[H:9])[H:7],[O:1]1[C:2]([H:8])([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]1=[C:6]([H:7])[H:14],"InChI=1S/C5H8O/c1-2-3-4-5-6/h1,6H,3-5H2",InChI=1S/C5H8O/c1-5-3-2-4-6-5/h1-4H2,44.299409999999995,-29.909570000000002,
2342,[O:1]([C:2]([C:3]([C:4]([C:5]#[C:6][H:14])([H:12])[H:13])([H:10])[H:11])([H:8])[H:9])[H:7],[O:1]([C:2]([C:3]1([H:10])[C:4]([H:12])([H:13])[C:5][C:6]1([H:11])[H:14])([H:8])[H:9])[H:7],"InChI=1S/C5H8O/c1-2-3-4-5-6/h1,6H,3-5H2","InChI=1S/C5H8O/c6-4-5-2-1-3-5/h5-6H,2-4H2",91.85809,62.429480000000005,
2343,[O:1]([C:2]([C:3]([C:4]([C:5]#[C:6][H:14])([H:12])[H:13])([H:10])[H:11])([H:8])[H:9])[H:7],[H:7][H:8].[O:1]=[C:2]([C:3]([C:4]([C:5]#[C:6][H:14])([H:12])[H:13])([H:10])[H:11])[H:9],"InChI=1S/C5H8O/c1-2-3-4-5-6/h1,6H,3-5H2","InChI=1S/C5H6O.H2/c1-2-3-4-5-6;/h1,5H,3-4H2;1H",79.92130999999999,18.022479999999998,
2344,[O:1]([C:2]([C:3]([C:4]([C:5]#[C:6][H:14])([H:12])[H:13])([H:10])[H:11])([H:8])[H:9])[H:7],[C:4](=[C:5]=[C:6]([H:8])[H:14])([H:12])[H:13].[O:1]([C:2](=[C:3]([H:10])[H:11])[H:9])[H:7],"InChI=1S/C5H8O/c1-2-3-4-5-6/h1,6H,3-5H2","InChI=1S/C3H4.C2H4O/c1-3-2;1-2-3/h1-2H2;2-3H,1H2",40.07744,10.41705,Retroene
2345,[O:1]([C:2]([C:3]([C:4]([C:5]#[C:6][H:14])([H:12])[H:13])([H:10])[H:11])([H:8])[H:9])[H:7],[O:1]1[C:2]([H:8])([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5][C:6]1([H:7])[H:14],"InChI=1S/C5H8O/c1-2-3-4-5-6/h1,6H,3-5H2","InChI=1S/C5H8O/c1-2-4-6-5-3-1/h1-2,4-5H2",59.05733000000001,47.32465,
2346,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[N:4]([H:13])[C:5]1=[O:6])([H:7])([H:8])[H:9],[C:1]([C:2]1=[C:5]([O:6][H:10])[N:4]([H:13])[C:3]1([H:11])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-3-2-5-4(3)6/h3H,2H2,1H3,(H,5,6)/t3-/m0/s1","InChI=1S/C4H7NO/c1-3-2-5-4(3)6/h5-6H,2H2,1H3",82.95939,30.283590000000004,ketoenol
2347,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[N:4]([H:13])[C:5]1=[O:6])([H:7])([H:8])[H:9],[C:1]([O:6][C:5]1=[C:2]([H:10])[C:3]([H:11])([H:12])[N:4]1[H:13])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-3-2-5-4(3)6/h3H,2H2,1H3,(H,5,6)/t3-/m0/s1","InChI=1S/C4H7NO/c1-6-4-2-3-5-4/h2,5H,3H2,1H3",97.53187,43.9121,ketoenol
2348,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[N:4]([H:13])[C:5]1=[O:6])([H:7])([H:8])[H:9],[C:1]([C:2]([C:5]([N+:4](=[C-:3][H:12])[H:13])=[O:6])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-3-2-5-4(3)6/h3H,2H2,1H3,(H,5,6)/t3-/m0/s1","InChI=1S/C4H7NO/c1-3-4(6)5-2/h2,5H,3H2,1H3",77.30145999999999,44.8418,
2349,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[N:4]([H:13])[C:5]1=[O:6])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:5]([N:4]([C-:3]([H:11])[H:12])[H:13])=[O+:6]1)([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-3-2-5-4(3)6/h3H,2H2,1H3,(H,5,6)/t3-/m0/s1","InChI=1S/C4H7NO/c1-3-4(5-2)6-3/h3,5H,2H2,1H3/t3-/m0/s1",83.83556,79.25471,
2350,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[N:4]([H:13])[C:5]1=[O:6])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C-:3]([H:12])[N:4]([H:13])[C+:5]1[O:6][H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-3-2-5-4(3)6/h3H,2H2,1H3,(H,5,6)/t3-/m0/s1","InChI=1S/C4H7NO/c1-3-2-5-4(3)6/h2-3,5-6H,1H3/t3-/m0/s1",103.57611,70.79085,
2351,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[N:4]([H:13])[C:5]1=[O:6])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]([H:11])[H:12])[H:10])([H:7])([H:8])[H:9].[N:4](=[C:5]=[O:6])[H:13],"InChI=1S/C4H7NO/c1-3-2-5-4(3)6/h3H,2H2,1H3,(H,5,6)/t3-/m0/s1","InChI=1S/C3H6.CHNO/c1-3-2;2-1-3/h3H,1H2,2H3;2H",41.80754,4.38396,
2352,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[N:4]([H:13])[C:5]1=[O:6])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[N:4]=[C:5]1[O:6][H:13])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-3-2-5-4(3)6/h3H,2H2,1H3,(H,5,6)/t3-/m0/s1","InChI=1S/C4H7NO/c1-3-2-5-4(3)6/h3H,2H2,1H3,(H,5,6)/t3-/m0/s1",58.2308,16.28239,ketoenol
2353,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[N:4]([H:13])[C:5]1=[O:6])([H:7])([H:8])[H:9],[C-:5]#[O+:6].[C:1]([C:2](/[C:3](=[N:4]/[H:13])[H:11])([H:10])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-3-2-5-4(3)6/h3H,2H2,1H3,(H,5,6)/t3-/m0/s1","InChI=1S/C3H7N.CO/c1-2-3-4;1-2/h3-4H,2H2,1H3;/b4-3+;",77.29117,10.392710000000001,
2354,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[N:4]([H:13])[C:5]1=[O:6])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:5](=[N:4])[O:6])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-3-2-5-4(3)6/h3H,2H2,1H3,(H,5,6)/t3-/m0/s1","InChI=1S/C4H7NO/c1-3(2)4(5)6/h3H,1-2H3",64.83279,58.0693,
2355,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[N:4]([H:13])[C:5]1=[O:6])([H:7])([H:8])[H:9],[C:1]1([H:7])([H:8])[C@:2]([C:3]([N:4]([H:9])[H:13])([H:11])[H:12])([H:10])[C:5]1=[O:6],"InChI=1S/C4H7NO/c1-3-2-5-4(3)6/h3H,2H2,1H3,(H,5,6)/t3-/m0/s1","InChI=1S/C4H7NO/c5-2-3-1-4(3)6/h3H,1-2,5H2/t3-/m0/s1",84.16009,36.73652,
2356,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[N:4]([H:13])[C:5]1=[O:6])([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:10].[C:2]1(=[C:5]=[O:6])[C:3]([H:11])([H:12])[N:4]1[H:13],"InChI=1S/C4H7NO/c1-3-2-5-4(3)6/h3H,2H2,1H3,(H,5,6)/t3-/m0/s1","InChI=1S/C3H3NO.CH4/c5-2-3-1-4-3;/h4H,1H2;1H4",85.49117,56.64575,
2357,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[N:4]([H:13])[C:5]1=[O:6])([H:7])([H:8])[H:9],[C:1](=[C:2]([C:3]([N:4]([C:5][O:6][H:9])[H:13])([H:11])[H:12])[H:10])([H:7])[H:8],"InChI=1S/C4H7NO/c1-3-2-5-4(3)6/h3H,2H2,1H3,(H,5,6)/t3-/m0/s1","InChI=1S/C4H7NO/c1-2-3-5-4-6/h2,5-6H,1,3H2",86.87823,49.53488,
2358,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[N:4]([H:13])[C:5]1=[O:6])([H:7])([H:8])[H:9],[C:1]([C+:2]=[C:5]([N:4]([C:3]([H:10])([H:11])[H:12])[H:13])[O-:6])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-3-2-5-4(3)6/h3H,2H2,1H3,(H,5,6)/t3-/m0/s1","InChI=1S/C4H7NO/c1-3-4(6)5-2/h5H,1-2H3",67.74186999999999,64.61786,
2359,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[N:4]([H:13])[C:5]1=[O:6])([H:7])([H:8])[H:9],[C:1]([C:5]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[N:4]1[H:13])=[O:6])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-3-2-5-4(3)6/h3H,2H2,1H3,(H,5,6)/t3-/m0/s1","InChI=1S/C4H7NO/c1-3(6)4-2-5-4/h4-5H,2H2,1H3/t4-/m1/s1",94.5673,23.01277,
2360,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[N:4]([H:13])[C:5]1=[O:6])([H:7])([H:8])[H:9],[C+:1]([C:2](=[C:5]([N:4]([C-:3]([H:11])[H:12])[H:13])[O:6][H:9])[H:10])([H:7])[H:8],"InChI=1S/C4H7NO/c1-3-2-5-4(3)6/h3H,2H2,1H3,(H,5,6)/t3-/m0/s1","InChI=1S/C4H7NO/c1-3-4(6)5-2/h3,5-6H,1-2H2",80.4881,48.58893,
2361,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[N:4]([H:13])[C:5]1=[O:6])([H:7])([H:8])[H:9],[C-:1]([O+:6]=[C:5]1[C:2]([H:9])([H:10])[C:3]([H:11])([H:12])[N:4]1[H:13])([H:7])[H:8],"InChI=1S/C4H7NO/c1-3-2-5-4(3)6/h3H,2H2,1H3,(H,5,6)/t3-/m0/s1","InChI=1S/C4H7NO/c1-6-4-2-3-5-4/h5H,1-3H2",106.28666000000001,88.13903,
2362,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[N:4]([H:13])[C:5]1=[O:6])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:5]=[O:6])[H:10])([H:7])([H:8])[H:9].[C:3](=[N:4][H:13])([H:11])[H:12],"InChI=1S/C4H7NO/c1-3-2-5-4(3)6/h3H,2H2,1H3,(H,5,6)/t3-/m0/s1","InChI=1S/C3H4O.CH3N/c1-2-3-4;1-2/h2H,1H3;2H,1H2",43.14845,33.40469,
2363,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[N:4]([H:13])[C:5]1=[O:6])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([C:5](=[O:6])[H:10])[C:3]([H:11])([H:12])[N:4]1[H:13])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-3-2-5-4(3)6/h3H,2H2,1H3,(H,5,6)/t3-/m0/s1","InChI=1S/C4H7NO/c1-4(3-6)2-5-4/h3,5H,2H2,1H3/t4-/m0/s1",81.49479000000001,23.50589,
2364,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[N:4]([H:13])[C:5]1=[O:6])([H:7])([H:8])[H:9],[C:1]1([H:8])([H:9])[C:2](/[C:5](=[N:4]/[H:13])[O:6][H:7])([H:10])[C:3]1([H:11])[H:12],"InChI=1S/C4H7NO/c1-3-2-5-4(3)6/h3H,2H2,1H3,(H,5,6)/t3-/m0/s1","InChI=1S/C4H7NO/c5-4(6)3-1-2-3/h3H,1-2H2,(H2,5,6)",69.94065,11.4813,
2365,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[N:4]([H:13])[C:5]1=[O:6])([H:7])([H:8])[H:9],[C:1]([N:4]([C:3]([C:2](=[C:5]=[O:6])[H:10])([H:11])[H:12])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-3-2-5-4(3)6/h3H,2H2,1H3,(H,5,6)/t3-/m0/s1","InChI=1S/C4H7NO/c1-5-3-2-4-6/h2,5H,3H2,1H3",95.64228,23.47814,
2366,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[N:4]([H:13])[C:5]1=[O:6])([H:7])([H:8])[H:9],[C:1]([C@@:2]([C:3][H:11])([C:5]([N:4]([H:12])[H:13])=[O:6])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-3-2-5-4(3)6/h3H,2H2,1H3,(H,5,6)/t3-/m0/s1","InChI=1S/C4H7NO/c1-3(2)4(5)6/h1,3H,2H3,(H2,5,6)/t3-/m1/s1",70.53335,71.83100999999999,
2367,[N:1]([c:2]1[c:3]([H:9])[o:4][c:5]([H:10])[c:6]1[H:11])([H:7])[H:8],[N:1](/[C:2](=[C:3](/[O:4][H:10])[H:9])[C:6](=[C:5])[H:11])([H:7])[H:8],"InChI=1S/C4H5NO/c5-4-1-2-6-3-4/h1-3H,5H2","InChI=1S/C4H5NO/c1-2-4(5)3-6/h2-3,6H,5H2/b4-3+",82.65881999999999,81.84298000000001,
2368,[N:1]([c:2]1[c:3]([H:9])[o:4][c:5]([H:10])[c:6]1[H:11])([H:7])[H:8],[N:1]([C:2]1=[C:3]([H:9])[O+:4]=[C-:5][C:6]1([H:10])[H:11])([H:7])[H:8],"InChI=1S/C4H5NO/c5-4-1-2-6-3-4/h1-3H,5H2","InChI=1S/C4H5NO/c5-4-1-2-6-3-4/h3H,1,5H2",65.57409,56.23828,Singlet_Carbene_Intra_Disproportionation
2369,[N:1]([c:2]1[c:3]([H:9])[o:4][c:5]([H:10])[c:6]1[H:11])([H:7])[H:8],[N:1]([C:2]1=[C:6]=[C:5]([H:10])[O:4][C:3]1([H:9])[H:11])([H:7])[H:8],"InChI=1S/C4H5NO/c5-4-1-2-6-3-4/h1-3H,5H2","InChI=1S/C4H5NO/c5-4-1-2-6-3-4/h2H,3,5H2",84.91521,44.662040000000005,
2370,[N:1]([c:2]1[c:3]([H:9])[o:4][c:5]([H:10])[c:6]1[H:11])([H:7])[H:8],[N+:1]1([H:7])([H:8])[C-:2]=[C:3]([H:9])[O:4][C:5]([H:10])=[C:6]1[H:11],"InChI=1S/C4H5NO/c5-4-1-2-6-3-4/h1-3H,5H2","InChI=1S/C4H5NO/c1-3-6-4-2-5-1/h1,3-4H,5H2",107.00058,79.29334,
2371,[N:1]([c:2]1[c:3]([H:9])[o:4][c:5]([H:10])[c:6]1[H:11])([H:7])[H:8],[N-:1]([C:2]1=[C:3]([H:9])[O+:4]=[C:5]([H:10])[C:6]1([H:8])[H:11])[H:7],"InChI=1S/C4H5NO/c5-4-1-2-6-3-4/h1-3H,5H2","InChI=1S/C4H5NO/c5-4-1-2-6-3-4/h2-3,5H,1H2",76.36737,42.92822,
2372,[N:1]([c:2]1[c:3]([H:9])[o:4][c:5]([H:10])[c:6]1[H:11])([H:7])[H:8],[N:1]([C:2]([C:3](=[O:4])[H:9])=[C:6]=[C:5]([H:10])[H:11])([H:7])[H:8],"InChI=1S/C4H5NO/c5-4-1-2-6-3-4/h1-3H,5H2","InChI=1S/C4H5NO/c1-2-4(5)3-6/h3H,1,5H2",66.22206,23.931079999999998,
2373,[N:1]([c:2]1[c:3]([H:9])[o:4][c:5]([H:10])[c:6]1[H:11])([H:7])[H:8],[N:1](=[C:2]1/[C:3]([H:7])([H:9])[O:4][C:5]([H:10])=[C:6]1[H:11])\[H:8],"InChI=1S/C4H5NO/c5-4-1-2-6-3-4/h1-3H,5H2","InChI=1S/C4H5NO/c5-4-1-2-6-3-4/h1-2,5H,3H2/b5-4+",64.59053,4.0993,
2374,[N:1]([c:2]1[c:3]([H:9])[o:4][c:5]([H:10])[c:6]1[H:11])([H:7])[H:8],[N:1]([C:2]1([C:3](=[O:4])[H:9])[C:5]([H:10])=[C:6]1[H:11])([H:7])[H:8],"InChI=1S/C4H5NO/c5-4-1-2-6-3-4/h1-3H,5H2","InChI=1S/C4H5NO/c5-4(3-6)1-2-4/h1-3H,5H2",64.28559,46.98052,ketoenol
2375,[N:1]([c:2]1[c:3]([H:9])[o:4][c:5]([H:10])[c:6]1[H:11])([H:7])[H:8],[N+:1]1([H:7])([H:8])[C:2]([C:6](=[C:5]([O-:4])[H:10])[H:11])=[C:3]1[H:9],"InChI=1S/C4H5NO/c5-4-1-2-6-3-4/h1-3H,5H2","InChI=1S/C4H5NO/c6-2-1-4-3-5-4/h1-3,5-6H",68.47598,65.40641,
2376,[N:1]([c:2]1[c:3]([H:9])[o:4][c:5]([H:10])[c:6]1[H:11])([H:7])[H:8],[N:1]([C:2]1=[C:3]([H:9])[C@:6]1([C:5](=[O:4])[H:10])[H:11])([H:7])[H:8],"InChI=1S/C4H5NO/c5-4-1-2-6-3-4/h1-3H,5H2","InChI=1S/C4H5NO/c5-4-1-3(4)2-6/h1-3H,5H2/t3-/m0/s1",66.57866999999999,39.329229999999995,ketoenol
2377,[N:1]([c:2]1[c:3]([H:9])[o:4][c:5]([H:10])[c:6]1[H:11])([H:7])[H:8],[N:1]([C:2]1=[C:3]=[O+:4][C-:5]([H:10])[C:6]1([H:9])[H:11])([H:7])[H:8],"InChI=1S/C4H5NO/c5-4-1-2-6-3-4/h1-3H,5H2","InChI=1S/C4H5NO/c5-4-1-2-6-3-4/h2H,1,5H2",86.59806,75.08331,
2378,[N:1]([c:2]1[c:3]([H:9])[o:4][c:5]([H:10])[c:6]1[H:11])([H:7])[H:8],[N:1]([C@:2]([C:3](=[O:4])[H:9])([C:6]#[C:5][H:10])[H:11])([H:7])[H:8],"InChI=1S/C4H5NO/c5-4-1-2-6-3-4/h1-3H,5H2","InChI=1S/C4H5NO/c1-2-4(5)3-6/h1,3-4H,5H2/t4-/m0/s1",85.29852,38.55137,
2379,[N:1]([c:2]1[c:3]([H:9])[o:4][c:5]([H:10])[c:6]1[H:11])([H:7])[H:8],[N:1]([C@@:2]1([H:9])[C-:3]=[O+:4][C:5]([H:10])=[C:6]1[H:11])([H:7])[H:8],"InChI=1S/C4H5NO/c5-4-1-2-6-3-4/h1-3H,5H2","InChI=1S/C4H5NO/c5-4-1-2-6-3-4/h1-2,4H,5H2/t4-/m1/s1",65.01895,64.80707,Singlet_Carbene_Intra_Disproportionation
2380,[N:1]([c:2]1[c:3]([H:9])[o:4][c:5]([H:10])[c:6]1[H:11])([H:7])[H:8],[N+:1]([C:2]1=[C:6]=[C:5]([H:10])[O:4][C-:3]1[H:9])([H:7])([H:8])[H:11],"InChI=1S/C4H5NO/c5-4-1-2-6-3-4/h1-3H,5H2","InChI=1S/C4H4NO/c5-4-1-2-6-3-4/h2-3H,5H2/q-1/p+1",76.21888,75.39674000000001,
2381,[N:1]([c:2]1[c:3]([H:9])[o:4][c:5]([H:10])[c:6]1[H:11])([H:7])[H:8],[N:1]([C-:2]1[C:3]([H:9])([H:10])[O+:4]=[C:5]=[C:6]1[H:11])([H:7])[H:8],"InChI=1S/C4H5NO/c5-4-1-2-6-3-4/h1-3H,5H2","InChI=1S/C4H5NO/c5-4-1-2-6-3-4/h1H,3,5H2",111.63481000000002,45.07693,
2382,[N:1]([c:2]1[c:3]([H:9])[o:4][c:5]([H:10])[c:6]1[H:11])([H:7])[H:8],[N:1]([C:2](=[C:6]([C:5]([O+:4]=[C-:3])[H:10])[H:11])[H:9])([H:7])[H:8],"InChI=1S/C4H5NO/c5-4-1-2-6-3-4/h1-3H,5H2","InChI=1S/C4H5NO/c1-6-4-2-3-5/h2-4H,5H2",95.36241,104.67811999999999,
2383,[N:1]([c:2]1[c:3]([H:9])[o:4][c:5]([H:10])[c:6]1[H:11])([H:7])[H:8],[N:1]([C:2](=[C:3]([O-:4])[H:9])[C:6](=[C+:5][H:10])[H:11])([H:7])[H:8],"InChI=1S/C4H5NO/c5-4-1-2-6-3-4/h1-3H,5H2","InChI=1S/C4H5NO/c1-2-4(5)3-6/h1-3H,5H2",64.21974,64.73501,
2384,[N:1]([c:2]1[c:3]([H:9])[o:4][c:5]([H:10])[c:6]1[H:11])([H:7])[H:8],[N:1]([C:2]1=[C:6]([H:11])[C@:5]2([H:10])[C@@:3]1([H:9])[O:4]2)([H:7])[H:8],"InChI=1S/C4H5NO/c5-4-1-2-6-3-4/h1-3H,5H2","InChI=1S/C4H5NO/c5-2-1-3-4(2)6-3/h1,3-4H,5H2/t3-,4+/m1/s1",86.61386,58.43739,Intra_2+2_cycloaddition_Cd
2385,[N:1]([c:2]1[c:3]([H:9])[o:4][c:5]([H:10])[c:6]1[H:11])([H:7])[H:8],[N+:1]([c:2]1[c-:3][o:4][c:5]([H:10])[c:6]1[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c5-4-1-2-6-3-4/h1-3H,5H2","InChI=1S/C4H4NO/c5-4-1-2-6-3-4/h1-2H,5H2/q-1/p+1",72.33287,69.40054,
2386,[N:1]([c:2]1[c:3]([H:9])[o:4][c:5]([H:10])[c:6]1[H:11])([H:7])[H:8],[C:5](#[C:6][H:11])[H:10].[N:1]([C+:2]=[C:3]([O-:4])[H:9])([H:7])[H:8],"InChI=1S/C4H5NO/c5-4-1-2-6-3-4/h1-3H,5H2","InChI=1S/C2H3NO.C2H2/c3-1-2-4;1-2/h2H,3H2;1-2H",82.51339,87.29281999999999,
2387,[N:1]([c:2]1[c:3]([H:9])[o:4][c:5]([H:10])[c:6]1[H:11])([H:7])[H:8],[N+:1]1([H:7])([H:8])[C@:2]2([C-:3]1[H:9])[O:4][C:5]([H:10])=[C:6]2[H:11],"InChI=1S/C4H5NO/c5-4-1-2-6-3-4/h1-3H,5H2","InChI=1S/C4H5NO/c1-2-6-4(1)3-5-4/h1-3H,5H2/t4-/m0/s1",114.66976000000001,104.30904,
2388,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C@:3]2([H:11])[O:4][C@:5]2([H:12])[C:6]1([H:13])[H:14],[C-:1]1([H:8])[C:2]([H:9])([H:10])[C:3]([H:7])([H:11])[O+:4]=[C:5]([H:12])[C:6]1([H:13])[H:14],"InChI=1S/C5H8O/c1-2-4-5(3-1)6-4/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H8O/c1-2-4-6-5-3-1/h1,4H,2-3,5H2",105.39357,60.04275,
2389,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C@:3]2([H:11])[O:4][C@:5]2([H:12])[C:6]1([H:13])[H:14],[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C@@:3]2([H:11])[O:4][C:5]2=[C:6]1[H:14].[H:12][H:13],"InChI=1S/C5H8O/c1-2-4-5(3-1)6-4/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H6O.H2/c1-2-4-5(3-1)6-4;/h2,5H,1,3H2;1H/t5-;/m1./s1",109.42237,106.03205,
2390,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C@:3]2([H:11])[O:4][C@:5]2([H:12])[C:6]1([H:13])[H:14],[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C@:3]([O:4][H:12])([H:11])[C:5][C:6]1([H:13])[H:14],"InChI=1S/C5H8O/c1-2-4-5(3-1)6-4/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H8O/c6-5-3-1-2-4-5/h5-6H,1-3H2/t5-/m1/s1",63.498459999999994,61.45121999999999,
2391,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C@:3]2([H:11])[O:4][C@:5]2([H:12])[C:6]1([H:13])[H:14],[C:1]([C:2]([H:9])([H:10])[H:11])([C:6]([C@@:5]1([H:12])[C-:3]=[O+:4]1)([H:13])[H:14])([H:7])[H:8],"InChI=1S/C5H8O/c1-2-4-5(3-1)6-4/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H8O/c1-2-3-5-4-6-5/h5H,2-3H2,1H3/t5-/m0/s1",69.08034,51.4082,
2392,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C@:3]2([H:11])[O:4][C@:5]2([H:12])[C:6]1([H:13])[H:14],[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]([H:11])([H:12])[O+:4]=[C-:5][C:6]1([H:13])[H:14],"InChI=1S/C5H8O/c1-2-4-5(3-1)6-4/h4-5H,1-3H2/t4-,5+",InChI=1S/C5H8O/c1-2-4-6-5-3-1/h1-4H2,69.50095,40.67582,
2393,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C@:3]2([H:11])[O:4][C@:5]2([H:12])[C:6]1([H:13])[H:14],[C:1]([C:2]([C:3](=[O:4])[H:11])([H:9])[H:10])([C:6](=[C:5]([H:12])[H:13])[H:14])([H:7])[H:8],"InChI=1S/C5H8O/c1-2-4-5(3-1)6-4/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H8O/c1-2-3-4-5-6/h2,5H,1,3-4H2",64.39429,-4.03235,
2394,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C@:3]2([H:11])[O:4][C@:5]2([H:12])[C:6]1([H:13])[H:14],[C:1]1([H:7])([H:8])[O:4][C@@:5]([C:3](=[C:2]([H:9])[H:10])[H:11])([H:12])[C:6]1([H:13])[H:14],"InChI=1S/C5H8O/c1-2-4-5(3-1)6-4/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H8O/c1-2-5-3-4-6-5/h2,5H,1,3-4H2/t5-/m1/s1",93.27138000000001,18.18662,
2395,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C@:3]2([H:11])[O:4][C@:5]2([H:12])[C:6]1([H:13])[H:14],[C:1]1([H:8])=[C:2]([H:9])[C@@:3]2([H:11])[O:4][C@@:5]2([H:12])[C:6]1([H:13])[H:14].[H:7][H:10],"InChI=1S/C5H8O/c1-2-4-5(3-1)6-4/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H6O.H2/c1-2-4-5(3-1)6-4;/h1-2,4-5H,3H2;1H/t4-,5+;/m1./s1",106.43321999999999,32.16348,
2396,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C@:3]2([H:11])[O:4][C@:5]2([H:12])[C:6]1([H:13])[H:14],[C:1](=[C:6]([H:13])[H:14])([H:7])[H:8].[C:2](=[C:3]([C:5](=[O:4])[H:12])[H:11])([H:9])[H:10],"InChI=1S/C5H8O/c1-2-4-5(3-1)6-4/h4-5H,1-3H2/t4-,5+","InChI=1S/C3H4O.C2H4/c1-2-3-4;1-2/h2-3H,1H2;1-2H2",75.23318,15.387889999999999,
2397,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C@:3]2([H:11])[O:4][C@:5]2([H:12])[C:6]1([H:13])[H:14],[C:1]1([H:7])([H:8])[C:2]([H:10])=[C:3]([H:11])[O:4][C:5]([H:12])=[C:6]1[H:14].[H:9][H:13],"InChI=1S/C5H8O/c1-2-4-5(3-1)6-4/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H6O.H2/c1-2-4-6-5-3-1;/h2-5H,1H2;1H",81.59062,16.74268,
2398,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C@:3]2([H:11])[O:4][C@:5]2([H:12])[C:6]1([H:13])[H:14],[C-:1]1([H:8])[C:2]([H:9])([H:10])[C@@:3]2([H:11])[O+:4]=[C:5]2[C:6]1([H:13])[H:14].[H:7][H:12],"InChI=1S/C5H8O/c1-2-4-5(3-1)6-4/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H6O.H2/c1-2-4-5(3-1)6-4;/h1,4H,2-3H2;1H/t4-;/m1./s1",107.04801,96.68569000000001,
2399,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C@:3]2([H:11])[O:4][C@:5]2([H:12])[C:6]1([H:13])[H:14],[C-:1]1([H:7])[C:2]([H:9])([H:10])[C+:3]([H:11])[C@:5]([O:4][H:8])([H:12])[C:6]1([H:13])[H:14],"InChI=1S/C5H8O/c1-2-4-5(3-1)6-4/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1,4-6H,2-3H2/t5-/m0/s1",76.01952,70.22193,
2400,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C@:3]2([H:11])[O:4][C@:5]2([H:12])[C:6]1([H:13])[H:14],[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]([O+:4]=[C-:5][H:12])([H:11])[C:6]1([H:13])[H:14],"InChI=1S/C5H8O/c1-2-4-5(3-1)6-4/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H8O/c1-6-5-3-2-4-5/h1,5H,2-4H2",104.28627,69.17213000000001,
2401,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C@:3]2([H:11])[O:4][C@:5]2([H:12])[C:6]1([H:13])[H:14],[C-:1]([C:6]([C@@:5]1([H:12])[C:3]([C:2]([H:9])([H:10])[H:11])=[O+:4]1)([H:13])[H:14])([H:7])[H:8],"InChI=1S/C5H8O/c1-2-4-5(3-1)6-4/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H8O/c1-3-5-4(2)6-5/h5H,1,3H2,2H3/t5-/m0/s1",121.09043,80.23788,
2402,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C@:3]2([H:11])[O:4][C@:5]2([H:12])[C:6]1([H:13])[H:14],[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C@@:3]([C:5][H:12])([H:11])[O:4][C:6]1([H:13])[H:14],"InChI=1S/C5H8O/c1-2-4-5(3-1)6-4/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H8O/c1-5-3-2-4-6-5/h1,5H,2-4H2/t5-/m0/s1",97.54594,79.07269000000001,
2403,[C:1]([C:2]([C:3]1([O:4][H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]([H:10])[H:11])([H:7])[H:8].[C:3]1(=[O:4])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16].[H:9][H:12],"InChI=1S/C5H10O/c1-2-5(6)3-4-5/h6H,2-4H2,1H3",InChI=1S/C3H4O.C2H4.H2/c4-3-1-2-3;1-2;/h1-2H2;1-2H2;1H,75.25539,54.63036999999999,
2404,[C:1]([C:2]([C:3]1([O:4][H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](/[C:3]([O:4][H:12])=[C:6](/[C:5]([H:13])([H:14])[H:15])[H:16])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-2-5(6)3-4-5/h6H,2-4H2,1H3","InChI=1S/C5H10O/c1-3-5(6)4-2/h3,6H,4H2,1-2H3/b5-3-",63.81248000000001,-14.17583,
2405,[C:1]([C:2]([C:3]1([O:4][H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3][O:4][H:12])([H:10])[H:11])([H:7])([H:8])[H:9].[C:5](=[C:6]([H:15])[H:16])([H:13])[H:14],"InChI=1S/C5H10O/c1-2-5(6)3-4-5/h6H,2-4H2,1H3","InChI=1S/C3H6O.C2H4/c1-2-3-4;1-2/h4H,2H2,1H3;1-2H2",56.15109,64.09774,
2406,[C:1]([C:2]([C:3]1([O:4][H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:10])[H:11])([H:7])([H:8])[H:9],[C-:1]([C:2]([C+:3]([O:4][H:12])[C:6]([C:5]([H:9])([H:13])[H:14])([H:15])[H:16])([H:10])[H:11])([H:7])[H:8],"InChI=1S/C5H10O/c1-2-5(6)3-4-5/h6H,2-4H2,1H3","InChI=1S/C5H10O/c1-3-5(6)4-2/h6H,1,3-4H2,2H3",71.82597,65.13535,
2407,[C:1]([C:2]([C:3]1([O:4][H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:6]([C:5]([C:3][O:4][H:12])([H:13])[H:14])([H:15])[H:16])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-2-5(6)3-4-5/h6H,2-4H2,1H3","InChI=1S/C5H10O/c1-2-3-4-5-6/h6H,2-4H2,1H3",82.94176,41.66803,
2408,[C:1]([C:2]([C:3]1([O:4][H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]([H:10])[H:11])([H:7])[H:8].[C:3]([O:4][H:12])([C:5]([H:9])([H:13])[H:14])=[C:6]([H:15])[H:16],"InChI=1S/C5H10O/c1-2-5(6)3-4-5/h6H,2-4H2,1H3","InChI=1S/C3H6O.C2H4/c1-3(2)4;1-2/h4H,1H2,2H3;1-2H2",68.83373,9.688880000000001,
2409,[C:1]([C:2]([C:3]1([O:4][H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]1=[C:5]([H:14])[C:6]1([H:15])[H:16])([H:10])[H:11])([H:7])([H:8])[H:9].[O:4]([H:12])[H:13],"InChI=1S/C5H10O/c1-2-5(6)3-4-5/h6H,2-4H2,1H3","InChI=1S/C5H8.H2O/c1-2-5-3-4-5;/h3H,2,4H2,1H3;1H2",70.85514,34.43418,
2410,[C:1]([C:2]([C:3]1([O:4][H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:4][H:12])([H:7])([H:8])[H:9].[C:2](=[C:3]1[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:10])[H:11],"InChI=1S/C5H10O/c1-2-5(6)3-4-5/h6H,2-4H2,1H3","InChI=1S/C4H6.CH4O/c1-4-2-3-4;1-2/h1-3H2;2H,1H3",99.43203000000001,35.48089,"1,3_Insertion_ROR"
2411,[C:1]([C:2]([C:3]1([O:4][H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](/[C:2](=[C:3](\[O:4][H:12])[H:10])[H:11])([H:7])([H:8])[H:9].[C:5](=[C:6]([H:15])[H:16])([H:13])[H:14],"InChI=1S/C5H10O/c1-2-5(6)3-4-5/h6H,2-4H2,1H3","InChI=1S/C3H6O.C2H4/c1-2-3-4;1-2/h2-4H,1H3;1-2H2/b3-2-;",86.21831999999999,15.006479999999998,
2412,[C:1]([C:2]([C:3]1([O:4][H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]1[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])[H:11])([H:7])([H:8])[H:9].[O:4]([H:10])[H:12],"InChI=1S/C5H10O/c1-2-5(6)3-4-5/h6H,2-4H2,1H3","InChI=1S/C5H8.H2O/c1-2-5-3-4-5;/h2H,3-4H2,1H3;1H2",67.57908,19.89575,"1,3_Insertion_ROR"
2413,[C:1]([C:2]([C:3]1([O:4][H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([H:10])([H:11])[H:14])([H:7])([H:8])[H:9].[C:3]1([O:4][H:12])=[C:5]([H:13])[C:6]1([H:15])[H:16],"InChI=1S/C5H10O/c1-2-5(6)3-4-5/h6H,2-4H2,1H3","InChI=1S/C3H4O.C2H6/c4-3-1-2-3;1-2/h1,4H,2H2;1-2H3",111.96695,41.11231,
2414,[C:1]([C:2]([C:3]1([O:4][H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3][C:5]([C:6]([O:4][H:12])([H:15])[H:16])([H:13])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-2-5(6)3-4-5/h6H,2-4H2,1H3","InChI=1S/C5H10O/c1-2-3-4-5-6/h6H,2,4-5H2,1H3",92.75459000000001,72.86675,
2415,[C:1]([C:2]([C:3]1([O:4][H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3](=[O:4])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9].[C:5](=[C:6]([H:15])[H:16])([H:13])[H:14],"InChI=1S/C5H10O/c1-2-5(6)3-4-5/h6H,2-4H2,1H3","InChI=1S/C3H6O.C2H4/c1-2-3-4;1-2/h3H,2H2,1H3;1-2H2",79.41561999999999,7.3346,
2416,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]1([C:5]([O:6][H:16])([H:14])[H:15])[H:13])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]1=[C:5]([H:14])[H:15])([H:7])([H:8])[H:9].[O:6]([H:13])[H:16],"InChI=1S/C5H10O/c1-4-2-5(4)3-6/h4-6H,2-3H2,1H3/t4-,5-/m0/s1","InChI=1S/C5H8.H2O/c1-4-3-5(4)2;/h5H,1,3H2,2H3;1H2/t5-;/m0./s1",66.7302,18.18154,"1,3_Insertion_ROR"
2417,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]1([C:5]([O:6][H:16])([H:14])[H:15])[H:13])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:5]([H:14])([H:15])[C@:4]1([O:6][H:16])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-4-2-5(4)3-6/h4-6H,2-3H2,1H3/t4-,5-/m0/s1","InChI=1S/C5H10O/c1-4-2-3-5(4)6/h4-6H,2-3H2,1H3/t4-,5+/m0/s1",74.47069,-4.5225,
2418,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]1([C:5]([O:6][H:16])([H:14])[H:15])[H:13])([H:7])([H:8])[H:9],[C:1]([C:2]1([H:10])[C:3]([H:11])([H:12])[C:4]1([H:13])[H:16])([H:7])([H:8])[H:9].[C:5](=[O:6])([H:14])[H:15],"InChI=1S/C5H10O/c1-4-2-5(4)3-6/h4-6H,2-3H2,1H3/t4-,5-/m0/s1","InChI=1S/C4H8.CH2O/c1-4-2-3-4;1-2/h4H,2-3H2,1H3;1H2",74.17763000000001,17.28109,
2419,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]1([C:5]([O:6][H:16])([H:14])[H:15])[H:13])([H:7])([H:8])[H:9],[C:1]([C+:2]1[C:3]([H:11])([H:12])[C@:4]1([C-:5]([O:6][H:16])[H:14])[H:13])([H:7])([H:8])[H:9].[H:10][H:15],"InChI=1S/C5H10O/c1-4-2-5(4)3-6/h4-6H,2-3H2,1H3/t4-,5-/m0/s1","InChI=1S/C5H8O.H2/c1-4-2-5(4)3-6;/h3,5-6H,2H2,1H3;1H/t5-;/m0./s1",104.51253,79.48550999999999,
2420,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]1([C:5]([O:6][H:16])([H:14])[H:15])[H:13])([H:7])([H:8])[H:9],[C:1]([O:6][C:5]([C:4]1([H:13])[C:2]([H:10])([H:16])[C:3]1([H:11])[H:12])([H:14])[H:15])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-4-2-5(4)3-6/h4-6H,2-3H2,1H3/t4-,5-/m0/s1","InChI=1S/C5H10O/c1-6-4-5-2-3-5/h5H,2-4H2,1H3",105.26132,13.91469,
2421,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]1([C:5]([O:6][H:16])([H:14])[H:15])[H:13])([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:12].[C:2]1([H:10])=[C:3]([H:11])[C:4]1([C:5]([O:6][H:16])([H:14])[H:15])[H:13],"InChI=1S/C5H10O/c1-4-2-5(4)3-6/h4-6H,2-3H2,1H3/t4-,5-/m0/s1","InChI=1S/C4H6O.CH4/c5-3-4-1-2-4;/h1-2,4-5H,3H2;1H4",115.19231,42.02887,
2422,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]1([C:5]([O:6][H:16])([H:14])[H:15])[H:13])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]1([O:6][H:16])[H:13])([H:7])([H:8])[H:9].[C:5]([H:14])[H:15],"InChI=1S/C5H10O/c1-4-2-5(4)3-6/h4-6H,2-3H2,1H3/t4-,5-/m0/s1","InChI=1S/C4H8O.CH2/c1-3-2-4(3)5;/h3-5H,2H2,1H3;1H2/t3-,4+;/m0./s1",118.1223,117.54708000000001,
2423,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]1([C:5]([O:6][H:16])([H:14])[H:15])[H:13])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]1([C:5](=[O:6])[H:14])[H:13])([H:7])([H:8])[H:9].[H:15][H:16],"InChI=1S/C5H10O/c1-4-2-5(4)3-6/h4-6H,2-3H2,1H3/t4-,5-/m0/s1","InChI=1S/C5H8O.H2/c1-4-2-5(4)3-6;/h3-5H,2H2,1H3;1H/t4-,5-;/m0./s1",82.25345,14.1556,
2424,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]1([C:5]([O:6][H:16])([H:14])[H:15])[H:13])([H:7])([H:8])[H:9],[C:1]([C@@:2]([C:3]([O:6][H:16])([H:11])[H:12])([C:4](=[C:5]([H:14])[H:15])[H:13])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-4-2-5(4)3-6/h4-6H,2-3H2,1H3/t4-,5-/m0/s1","InChI=1S/C5H10O/c1-3-5(2)4-6/h3,5-6H,1,4H2,2H3/t5-/m1/s1",66.01621,-4.304119999999999,
2425,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]1([C:5]([O:6][H:16])([H:14])[H:15])[H:13])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]([H:11])[H:12])[H:10])([H:7])([H:8])[H:9].[C:4](=[C:5]([O:6][H:16])[H:15])([H:13])[H:14],"InChI=1S/C5H10O/c1-4-2-5(4)3-6/h4-6H,2-3H2,1H3/t4-,5-/m0/s1","InChI=1S/C3H6.C2H4O/c1-3-2;1-2-3/h3H,1H2,2H3;2-3H,1H2",75.29975,8.67235,
2426,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]1([C:5]([O:6][H:16])([H:14])[H:15])[H:13])([H:7])([H:8])[H:9],[C:1]([C:2]1([H:10])[C:3]([H:11])=[C:4]1[H:13])([H:7])([H:8])[H:9].[C:5](=[O:6])([H:14])[H:15].[H:12][H:16],"InChI=1S/C5H10O/c1-4-2-5(4)3-6/h4-6H,2-3H2,1H3/t4-,5-/m0/s1","InChI=1S/C4H6.CH2O.H2/c1-4-2-3-4;1-2;/h2-4H,1H3;1H2;1H",78.91529,71.37191,
2427,[O:1]([C:2]([C:3](=[O:4])[C:5]([O:6][H:12])([H:10])[H:11])([H:8])[H:9])[H:7],[O:1]([C:2]([C@:3]1([O:4][H:12])[C:5]([H:10])([H:11])[O:6]1)([H:8])[H:9])[H:7],"InChI=1S/C3H6O3/c4-1-3(6)2-5/h4-5H,1-2H2","InChI=1S/C3H6O3/c4-1-3(5)2-6-3/h4-5H,1-2H2/t3-/m1/s1",48.811440000000005,21.360210000000002,
2428,[O:1]([C:2]([C:3](=[O:4])[C:5]([O:6][H:12])([H:10])[H:11])([H:8])[H:9])[H:7],[O:1]([C:2](/[C:3]([O:4][H:12])=[C:5](/[O:6][H:10])[H:11])([H:8])[H:9])[H:7],"InChI=1S/C3H6O3/c4-1-3(6)2-5/h4-5H,1-2H2","InChI=1S/C3H6O3/c4-1-3(6)2-5/h1,4-6H,2H2/b3-1-",61.06143,8.47153,ketoenol
2429,[O:1]([C:2]([C:3](=[O:4])[C:5]([O:6][H:12])([H:10])[H:11])([H:8])[H:9])[H:7],[C:3](=[O:4])=[C:5]([H:10])[H:11].[O:1]([C:2]([O:6][H:12])([H:8])[H:9])[H:7],"InChI=1S/C3H6O3/c4-1-3(6)2-5/h4-5H,1-2H2","InChI=1S/C2H2O.CH4O2/c1-2-3;2-1-3/h1H2;2-3H,1H2",98.54169,20.07808,"1,3_Insertion_ROR"
2430,[O:1]([C:2]([C:3](=[O:4])[C:5]([O:6][H:12])([H:10])[H:11])([H:8])[H:9])[H:7],[H:7][H:9].[O:1]=[C:2]([C:3](=[O:4])[C:5]([O:6][H:12])([H:10])[H:11])[H:8],"InChI=1S/C3H6O3/c4-1-3(6)2-5/h4-5H,1-2H2","InChI=1S/C3H4O3.H2/c4-1-3(6)2-5;/h1,5H,2H2;1H",90.76326,28.859340000000003,
2431,[O:1]([C:2]([C:3](=[O:4])[C:5]([O:6][H:12])([H:10])[H:11])([H:8])[H:9])[H:7],[O:1]([C:2]([C@@:3]([O:4][H:12])([C:5](=[O:6])[H:11])[H:10])([H:8])[H:9])[H:7],"InChI=1S/C3H6O3/c4-1-3(6)2-5/h4-5H,1-2H2","InChI=1S/C3H6O3/c4-1-3(6)2-5/h1,3,5-6H,2H2/t3-/m0/s1",38.83781,3.75187,
2432,[O:1]([C:2]([C:3](=[O:4])[C:5]([O:6][H:12])([H:10])[H:11])([H:8])[H:9])[H:7],[O:1]([O:4][C:3](=[C:2]([H:8])[H:9])[C:5]([O:6][H:12])([H:10])[H:11])[H:7],"InChI=1S/C3H6O3/c4-1-3(6)2-5/h4-5H,1-2H2","InChI=1S/C3H6O3/c1-3(2-4)6-5/h4-5H,1-2H2",98.15476,70.20285,ketoenol
2433,[O:1]([C:2]([C:3](=[O:4])[C:5]([O:6][H:12])([H:10])[H:11])([H:8])[H:9])[H:7],[H:9][H:10].[O:1]([C:2](=[C:3]([O-:4])[C+:5]([O:6][H:12])[H:11])[H:8])[H:7],"InChI=1S/C3H6O3/c4-1-3(6)2-5/h4-5H,1-2H2","InChI=1S/C3H4O3.H2/c4-1-3(6)2-5;/h1-2,4H,(H-,5,6);1H",70.55247,31.27642,
2434,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]([H:11])([H:12])[O:4][C:5]([H:13])([H:14])[C:6]1([H:15])[H:16],[C:1]1([H:7])([H:8])[C@:2]([C:3]([H:10])([H:11])[H:12])([H:9])[O:4][C:5]([H:13])([H:14])[C:6]1([H:15])[H:16],InChI=1S/C5H10O/c1-2-4-6-5-3-1/h1-5H2,"InChI=1S/C5H10O/c1-5-3-2-4-6-5/h5H,2-4H2,1H3/t5-/m1/s1",89.32385,0.6212,
2435,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]([H:11])([H:12])[O:4][C:5]([H:13])([H:14])[C:6]1([H:15])[H:16],[C:1]([C:2]([C:3](=[O+:4][C-:5]([H:13])[H:14])[H:11])([H:9])[H:10])([C:6]([H:12])([H:15])[H:16])([H:7])[H:8],InChI=1S/C5H10O/c1-2-4-6-5-3-1/h1-5H2,"InChI=1S/C5H10O/c1-3-4-5-6-2/h5H,2-4H2,1H3",87.28832,59.29569,
2436,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]([H:11])([H:12])[O:4][C:5]([H:13])([H:14])[C:6]1([H:15])[H:16],[C:1]([C:2]([C:3]([O+:4]=[C-:5][H:14])([H:11])[H:12])([H:9])[H:10])([C:6]([H:13])([H:15])[H:16])([H:7])[H:8],InChI=1S/C5H10O/c1-2-4-6-5-3-1/h1-5H2,"InChI=1S/C5H10O/c1-3-4-5-6-2/h2H,3-5H2,1H3",75.27258,65.72733000000001,
2437,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]([H:11])([H:12])[O:4][C:5]([H:13])([H:14])[C:6]1([H:15])[H:16],[C:1]([C:2]([C:3]([O:4][H:16])([H:11])[H:12])([H:9])[H:10])([C:6](=[C:5]([H:13])[H:14])[H:15])([H:7])[H:8],InChI=1S/C5H10O/c1-2-4-6-5-3-1/h1-5H2,"InChI=1S/C5H10O/c1-2-3-4-5-6/h2,6H,1,3-5H2",70.56008,8.512039999999999,
2438,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]([H:11])([H:12])[O:4][C:5]([H:13])([H:14])[C:6]1([H:15])[H:16],[C:1]1([H:7])([H:8])[C:2]([H:10])=[C:3]([H:12])[O:4][C:5]([H:13])([H:14])[C:6]1([H:15])[H:16].[H:9][H:11],InChI=1S/C5H10O/c1-2-4-6-5-3-1/h1-5H2,"InChI=1S/C5H8O.H2/c1-2-4-6-5-3-1;/h2,4H,1,3,5H2;1H",96.91853,23.64874,
2439,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]([H:11])([H:12])[O:4][C:5]([H:13])([H:14])[C:6]1([H:15])[H:16],[C:1]1([H:7])([H:8])[C:5]([O:4][C:3]([C:2]([H:9])([H:10])[H:13])([H:11])[H:12])([H:14])[C:6]1([H:15])[H:16],InChI=1S/C5H10O/c1-2-4-6-5-3-1/h1-5H2,"InChI=1S/C5H10O/c1-2-6-5-3-4-5/h5H,2-4H2,1H3",99.24786999999999,24.46026,
2440,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]([H:11])([H:12])[O:4][C:5]([H:13])([H:14])[C:6]1([H:15])[H:16],[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]([H:11])([H:12])[O:4][C:6]1([H:15])[H:16].[C:5]([H:13])[H:14],InChI=1S/C5H10O/c1-2-4-6-5-3-1/h1-5H2,InChI=1S/C4H8O.CH2/c1-2-4-5-3-1;/h1-4H2;1H2,115.47137,122.11878999999999,
2441,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]([H:11])([H:12])[O:4][C:5]([H:13])([H:14])[C:6]1([H:15])[H:16],[C-:3]([O+:4]=[C:5]([H:13])[H:14])([H:11])[H:12].[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:6]1([H:15])[H:16],InChI=1S/C5H10O/c1-2-4-6-5-3-1/h1-5H2,InChI=1S/C3H6.C2H4O/c1-2-3-1;1-3-2/h1-3H2;1-2H2,125.28526000000001,93.00955,
2442,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]([H:11])([H:12])[O:4][C:5]([H:13])([H:14])[C:6]1([H:15])[H:16],[C:1](=[C:2]([H:9])[H:10])([H:7])[H:8].[C:3]([O:4][C:5](=[C:6]([H:15])[H:16])[H:14])([H:11])([H:12])[H:13],InChI=1S/C5H10O/c1-2-4-6-5-3-1/h1-5H2,"InChI=1S/C3H6O.C2H4/c1-3-4-2;1-2/h3H,1H2,2H3;1-2H2",117.42111000000001,37.110620000000004,
2443,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]([H:11])([H:12])[O:4][C:5]([H:13])([H:14])[C:6]1([H:15])[H:16],[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C-:3]=[O+:4][C:5]([H:13])([H:14])[C:6]1([H:15])[H:16].[H:11][H:12],InChI=1S/C5H10O/c1-2-4-6-5-3-1/h1-5H2,InChI=1S/C5H8O.H2/c1-2-4-6-5-3-1;/h1-4H2;1H,76.91928,73.16523000000001,
2444,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]([H:11])([H:12])[O:4][C:5]([H:13])([H:14])[C:6]1([H:15])[H:16],[C:1](=[C:2]([H:9])[H:10])([H:7])[H:8].[C:3](=[O:4])([H:11])[H:12].[C:5](=[C:6]([H:15])[H:16])([H:13])[H:14],InChI=1S/C5H10O/c1-2-4-6-5-3-1/h1-5H2,InChI=1S/2C2H4.CH2O/c3*1-2/h2*1-2H2;1H2,79.16035,51.39369,
2445,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]([H:11])([H:12])[O:4][C:5]([H:13])([H:14])[C:6]1([H:15])[H:16],[C:1]([C:2]([C:3][H:11])([H:9])[H:10])([C:6]([C:5]([O:4][H:12])([H:13])[H:14])([H:15])[H:16])([H:7])[H:8],InChI=1S/C5H10O/c1-2-4-6-5-3-1/h1-5H2,"InChI=1S/C5H10O/c1-2-3-4-5-6/h1,6H,2-5H2",88.07995,83.96932,
2446,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]([H:11])([H:12])[O:4][C:5]([H:13])([H:14])[C:6]1([H:15])[H:16],[C:1]1([H:7])=[C:2]([H:10])[C:3]([H:11])([H:12])[O:4][C:5]([H:13])([H:14])[C:6]1([H:15])[H:16].[H:8][H:9],InChI=1S/C5H10O/c1-2-4-6-5-3-1/h1-5H2,"InChI=1S/C5H8O.H2/c1-2-4-6-5-3-1;/h1-2H,3-5H2;1H",112.26388999999999,29.463820000000002,
2447,[C:1]([C:2]([C:3](=[O:4])[N:5]([H:11])[H:12])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([C:2]([H:9])([H:10])[H:12])([H:6])([H:7])[H:8].[C:3](=[O:4])=[N:5][H:11],"InChI=1S/C3H7NO/c1-2-3(4)5/h2H2,1H3,(H2,4,5)",InChI=1S/C2H6.CHNO/c1-2;2-1-3/h1-2H3;2H,72.70521,9.681460000000001,
2448,[C:1]([C:2]([C:3](=[O:4])[N:5]([H:11])[H:12])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1](/[C:2](=[C:3](\[O:4][H:10])[N:5]([H:11])[H:12])[H:9])([H:6])([H:7])[H:8],"InChI=1S/C3H7NO/c1-2-3(4)5/h2H2,1H3,(H2,4,5)","InChI=1S/C3H7NO/c1-2-3(4)5/h2,5H,4H2,1H3/b3-2-",65.02256,21.61319,ketoenol
2449,[C:1]([C:2]([C:3](=[O:4])[N:5]([H:11])[H:12])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([C:2]([O+:4]=[C-:3][N:5]([H:11])[H:12])([H:9])[H:10])([H:6])([H:7])[H:8],"InChI=1S/C3H7NO/c1-2-3(4)5/h2H2,1H3,(H2,4,5)","InChI=1S/C3H7NO/c1-2-5-3-4/h2,4H2,1H3",98.80298,53.7774,
2450,[C:1]([C:2]([C:3](=[O:4])[N:5]([H:11])[H:12])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([C@:3]1([N:5]([H:11])[H:12])[C:2]([H:9])([H:10])[O:4]1)([H:6])([H:7])[H:8],"InChI=1S/C3H7NO/c1-2-3(4)5/h2H2,1H3,(H2,4,5)","InChI=1S/C3H7NO/c1-3(4)2-5-3/h2,4H2,1H3/t3-/m1/s1",102.58291,42.38231,
2451,[C:1]([C:2]([C:3](=[O:4])[N:5]([H:11])[H:12])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]1([H:6])([H:8])[C:2]([H:9])([H:10])[C:3]1([O:4][H:7])[N:5]([H:11])[H:12],"InChI=1S/C3H7NO/c1-2-3(4)5/h2H2,1H3,(H2,4,5)","InChI=1S/C3H7NO/c4-3(5)1-2-3/h5H,1-2,4H2",79.81343000000001,38.09363,
2452,[C:1]([C:2]([C:3](=[O:4])[N:5]([H:11])[H:12])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1](=[C:2]([H:9])[H:10])([H:6])[H:8].[C:3]([O:4][H:7])[N:5]([H:11])[H:12],"InChI=1S/C3H7NO/c1-2-3(4)5/h2H2,1H3,(H2,4,5)","InChI=1S/C2H4.CH3NO/c1-2;2-1-3/h1-2H2;3H,2H2",70.09989,71.08785999999999,
2453,[C:1]([C:2]([C:3](=[O:4])[N:5]([H:11])[H:12])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([C:2](=[C:3]=[O:4])[H:9])([H:6])([H:7])[H:8].[N:5]([H:10])([H:11])[H:12],"InChI=1S/C3H7NO/c1-2-3(4)5/h2H2,1H3,(H2,4,5)","InChI=1S/C3H4O.H3N/c1-2-3-4;/h2H,1H3;1H3",66.041,34.60915,"1,3_NH3_elimination"
2454,[C:1]([C:2]([C:3](=[O:4])[N:5]([H:11])[H:12])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([H:6])([H:7])([H:8])[H:12].[C:2]1([H:9])([H:10])/[C:3](=[N:5]/[H:11])[O:4]1,"InChI=1S/C3H7NO/c1-2-3(4)5/h2H2,1H3,(H2,4,5)","InChI=1S/C2H3NO.CH4/c3-2-1-4-2;/h3H,1H2;1H4/b3-2-;",88.77102,54.07954,
2455,[C:1]([C:2]([C:3](=[O:4])[N:5]([H:11])[H:12])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([C@:2]1([H:9])/[C:3](=[N:5]/[H:11])[O:4]1)([H:6])([H:7])[H:8].[H:10][H:12],"InChI=1S/C3H7NO/c1-2-3(4)5/h2H2,1H3,(H2,4,5)","InChI=1S/C3H5NO.H2/c1-2-3(4)5-2;/h2,4H,1H3;1H/b4-3-;/t2-;/m1./s1",85.81309,62.11087,
2456,[C:1]([C:2]([C:3](=[O:4])[N:5]([H:11])[H:12])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([C@@:2]1([H:9])[C@:3]([N:5]([H:11])[H:12])([H:10])[O:4]1)([H:6])([H:7])[H:8],"InChI=1S/C3H7NO/c1-2-3(4)5/h2H2,1H3,(H2,4,5)","InChI=1S/C3H7NO/c1-2-3(4)5-2/h2-3H,4H2,1H3/t2-,3-/m0/s1",91.81967,42.69822,
2457,[C:1]([C:2]([C:3](=[O:4])[N:5]([H:11])[H:12])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([O:4][C:3](=[C:2]([H:9])[H:10])[N:5]([H:11])[H:12])([H:6])([H:7])[H:8],"InChI=1S/C3H7NO/c1-2-3(4)5/h2H2,1H3,(H2,4,5)","InChI=1S/C3H7NO/c1-3(4)5-2/h1,4H2,2H3",87.43475,33.34454,ketoenol
2458,[C:1]([C:2]([C:3](=[O:4])[N:5]([H:11])[H:12])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([C:2](/[C:3]([O:4][H:12])=[N:5]\[H:11])([H:9])[H:10])([H:6])([H:7])[H:8],"InChI=1S/C3H7NO/c1-2-3(4)5/h2H2,1H3,(H2,4,5)","InChI=1S/C3H7NO/c1-2-3(4)5/h2H2,1H3,(H2,4,5)",39.94497,9.3885,ketoenol
2459,[C:1]([C:2]([C:3](=[O:4])[N:5]([H:11])[H:12])([H:9])[H:10])([H:6])([H:7])[H:8],[C+:2](=[C:3]([O-:4])[N:5]([H:11])[H:12])[H:9].[C:1]([H:6])([H:7])([H:8])[H:10],"InChI=1S/C3H7NO/c1-2-3(4)5/h2H2,1H3,(H2,4,5)","InChI=1S/C2H3NO.CH4/c1-2(3)4;/h1H,3H2;1H4",90.61221,89.30628,
2460,[C:1]([C:2]([C:3](=[O:4])[N:5]([H:11])[H:12])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([N:5]([H:11])[H:12])([H:6])([H:7])[H:8].[C:2](=[C:3]=[O:4])([H:9])[H:10],"InChI=1S/C3H7NO/c1-2-3(4)5/h2H2,1H3,(H2,4,5)","InChI=1S/C2H2O.CH5N/c1-2-3;1-2/h1H2;2H2,1H3",95.39253000000001,43.30079,
2461,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]12[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6]2,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]1.[C:4]1([H:11])([H:12])[C:5]([H:13])([H:14])[O:6]1,InChI=1S/C5H8O/c1-2-5(1)3-4-6-5/h1-4H2,InChI=1S/C3H4.C2H4O/c2*1-2-3-1/h2*1-2H2,102.85571,100.87833,
2462,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]12[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6]2,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]1([C:4](=[C:5]([H:13])[H:14])[H:12])[O:6][H:11],InChI=1S/C5H8O/c1-2-5(1)3-4-6-5/h1-4H2,"InChI=1S/C5H8O/c1-2-5(6)3-4-5/h2,6H,1,3-4H2",86.13835999999999,-15.350520000000001,
2463,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]12[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6]2,[C:1](=[C:2]([H:9])[H:10])([C:3]1=[C:4]([H:12])[C:5]([H:13])([H:14])[O:6]1)[H:7].[H:8][H:11],InChI=1S/C5H8O/c1-2-5(1)3-4-6-5/h1-4H2,"InChI=1S/C5H6O.H2/c1-2-5-3-4-6-5;/h2-3H,1,4H2;1H",94.25683000000001,20.37881,
2464,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]12[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6]2,[C:1](/[C:2](=[C:3]1/[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6]1)[H:9])([H:7])([H:8])[H:10],InChI=1S/C5H8O/c1-2-5(1)3-4-6-5/h1-4H2,"InChI=1S/C5H8O/c1-2-5-3-4-6-5/h2H,3-4H2,1H3/b5-2-",63.33268,-15.44372,
2465,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]12[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6]2,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]12[C:4]([H:11])=[C:5]([H:14])[O:6]2.[H:12][H:13],InChI=1S/C5H8O/c1-2-5(1)3-4-6-5/h1-4H2,"InChI=1S/C5H6O.H2/c1-2-5(1)3-4-6-5;/h3-4H,1-2H2;1H",107.05638,33.02225,
2466,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]12[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6]2,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]1([C:4]([H:11])([H:12])[H:14])[O+:6]=[C-:5][H:13],InChI=1S/C5H8O/c1-2-5(1)3-4-6-5/h1-4H2,"InChI=1S/C5H8O/c1-5(6-2)3-4-5/h2H,3-4H2,1H3",77.9011,44.64047,
2467,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]12[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6]2,[C:1](=[C:2]([H:9])[H:10])([H:7])[H:8].[C:3]1([H:12])=[C:4]([H:11])[C:5]([H:13])([H:14])[O:6]1,InChI=1S/C5H8O/c1-2-5(1)3-4-6-5/h1-4H2,"InChI=1S/C3H4O.C2H4/c1-2-4-3-1;1-2/h1-2H,3H2;1-2H2",91.60093,21.36906,
2468,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]12[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6]2,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]1=[C:4]([C:5]([O:6][H:12])([H:13])[H:14])[H:11],InChI=1S/C5H8O/c1-2-5(1)3-4-6-5/h1-4H2,"InChI=1S/C5H8O/c6-4-3-5-1-2-5/h3,6H,1-2,4H2",86.10473,-4.3003,
2469,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]12[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6]2,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3](=[O+:6][C-:5]([H:13])[H:14])[C:4]1([H:11])[H:12],InChI=1S/C5H8O/c1-2-5(1)3-4-6-5/h1-4H2,InChI=1S/C5H8O/c1-6-5-3-2-4-5/h1-4H2,80.27823000000001,36.86675,
2470,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]12[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6]2,[C:1]([C@@:3]1([C:2][H:9])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6]1)([H:7])([H:8])[H:10],InChI=1S/C5H8O/c1-2-5(1)3-4-6-5/h1-4H2,"InChI=1S/C5H8O/c1-5(2)3-4-6-5/h1H,3-4H2,2H3/t5-/m0/s1",63.330290000000005,68.80953000000001,
2471,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]12[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6]2,[C:1]1([H:7])([H:8])[C:2]([H:9])=[C:3]1[C:4]([C:5]([O:6][H:10])([H:13])[H:14])([H:11])[H:12],InChI=1S/C5H8O/c1-2-5(1)3-4-6-5/h1-4H2,"InChI=1S/C5H8O/c6-4-3-5-1-2-5/h1,6H,2-4H2",69.35807,9.308110000000001,
2472,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]12[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6]2,[C:1](=[C:2]([H:9])[H:10])([C@:3]1([H:8])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6]1)[H:7],InChI=1S/C5H8O/c1-2-5(1)3-4-6-5/h1-4H2,"InChI=1S/C5H8O/c1-2-5-3-4-6-5/h2,5H,1,3-4H2/t5-/m1/s1",74.22967,-7.304460000000001,
2473,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]12[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6]2,[C:1]1([H:7])=[C:3]([C:4]([H:8])([H:11])[H:12])[C:2]1([H:9])[H:10].[C:5](=[O:6])([H:13])[H:14],InChI=1S/C5H8O/c1-2-5(1)3-4-6-5/h1-4H2,"InChI=1S/C4H6.CH2O/c1-4-2-3-4;1-2/h2H,3H2,1H3;1H2",105.01751999999999,25.22887,
2474,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]12[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6]2,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]1=[C:4]([H:11])[H:12].[C:5](=[O:6])([H:13])[H:14],InChI=1S/C5H8O/c1-2-5(1)3-4-6-5/h1-4H2,InChI=1S/C4H6.CH2O/c1-4-2-3-4;1-2/h1-3H2;1H2,57.57678000000001,13.751970000000002,2+2_cycloaddition
2475,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]12[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6]2,[C:1](=[C:3]([C:2]([H:9])([H:10])[H:13])[C:4]([C:5](=[O:6])[H:14])([H:11])[H:12])([H:7])[H:8],InChI=1S/C5H8O/c1-2-5(1)3-4-6-5/h1-4H2,"InChI=1S/C5H8O/c1-5(2)3-4-6/h4H,1,3H2,2H3",66.62326,-31.91664,
2476,[C:1]([C:2]([C@@:3]([C:4]([H:13])([H:14])[H:15])([C:5]([O:6][H:18])([H:16])[H:17])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([C:4]([H:13])([H:14])[H:15])=[C:5]([H:16])[H:17])([H:10])[H:11])([H:7])([H:8])[H:9].[O:6]([H:12])[H:18],"InChI=1S/C5H12O/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H3/t5-/m1/s1","InChI=1S/C5H10.H2O/c1-4-5(2)3;/h2,4H2,1,3H3;1H2",60.494240000000005,6.713360000000001,"1,3_Insertion_ROR"
2477,[C:1]([C:2]([C@@:3]([C:4]([H:13])([H:14])[H:15])([C:5]([O:6][H:18])([H:16])[H:17])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:6][H:18])([H:7])([H:8])[H:9].[C:2]1([H:10])([H:11])[C:3]([C:4]([H:13])([H:14])[H:15])([H:12])[C:5]1([H:16])[H:17],"InChI=1S/C5H12O/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H3/t5-/m1/s1","InChI=1S/C4H8.CH4O/c1-4-2-3-4;1-2/h4H,2-3H2,1H3;2H,1H3",115.39562,28.900140000000004,
2478,[C:1]([C:2]([C@@:3]([C:4]([H:13])([H:14])[H:15])([C:5]([O:6][H:18])([H:16])[H:17])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([C:4]([H:13])([H:14])[H:15])([H:12])[H:17])([H:10])[H:11])([H:7])([H:8])[H:9].[C:5]([O:6][H:18])[H:16],"InChI=1S/C5H12O/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H3/t5-/m1/s1","InChI=1S/C4H10.CH2O/c1-3-4-2;1-2/h3-4H2,1-2H3;1-2H",69.45848000000001,70.5808,
2479,[C:1]([C:2]([C@@:3]([C:4]([H:13])([H:14])[H:15])([C:5]([O:6][H:18])([H:16])[H:17])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:18].[C:2](=[C:3]([C:4]([H:13])([H:14])[H:15])[H:12])([H:10])[H:11].[C:5](=[O:6])([H:16])[H:17],"InChI=1S/C5H12O/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H3/t5-/m1/s1","InChI=1S/C3H6.CH2O.CH4/c1-3-2;1-2;/h3H,1H2,2H3;1H2;1H4",71.90323000000001,31.52085,
2480,[C:1]([C:2]([C@@:3]([C:4]([H:13])([H:14])[H:15])([C:5]([O:6][H:18])([H:16])[H:17])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]1([H:12])[C:4]([H:14])([H:15])[C:5]1([H:16])[H:17])([H:10])[H:11])([H:7])([H:8])[H:9].[O:6]([H:13])[H:18],"InChI=1S/C5H12O/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H3/t5-/m1/s1","InChI=1S/C5H10.H2O/c1-2-5-3-4-5;/h5H,2-4H2,1H3;1H2",84.31166,16.22243,
2481,[C:1]([C:2]([C@@:3]([C:4]([H:13])([H:14])[H:15])([C:5]([O:6][H:18])([H:16])[H:17])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C@@:3]([C:4]([H:13])([H:14])[H:15])([C:5](=[O:6])[H:16])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9].[H:17][H:18],"InChI=1S/C5H12O/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H3/t5-/m1/s1","InChI=1S/C5H10O.H2/c1-3-5(2)4-6;/h4-5H,3H2,1-2H3;1H/t5-;/m1./s1",78.19363,15.94568,
2482,[C:1]([C:2]([C@@:3]([C:4]([H:13])([H:14])[H:15])([C:5]([O:6][H:18])([H:16])[H:17])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3](=[C:5]([H:16])[H:17])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9].[C:4]([O:6][H:18])([H:13])([H:14])[H:15],"InChI=1S/C5H12O/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H3/t5-/m1/s1","InChI=1S/C4H8.CH4O/c1-3-4-2;1-2/h3H,1,4H2,2H3;2H,1H3",91.36101,22.871570000000002,"1,3_Insertion_ROR"
2483,[C:1]([C:2]([C@@:3]([C:4]([H:13])([H:14])[H:15])([C:5]([O:6][H:18])([H:16])[H:17])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3][C:5]([O:6][H:18])([H:16])[H:17])([H:10])[H:11])([H:7])([H:8])[H:9].[C:4]([H:12])([H:13])([H:14])[H:15],"InChI=1S/C5H12O/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H3/t5-/m1/s1","InChI=1S/C4H8O.CH4/c1-2-3-4-5;/h5H,2,4H2,1H3;1H4",82.24276,87.77441999999999,
2484,[C:1]([C:2]([C:3]([H:9])([H:10])[H:11])([O:4][H:12])[H:8])([H:5])([H:6])[H:7],[C:1]([C:2](=[C:3]([H:9])[H:11])[H:8])([H:5])([H:6])[H:7].[O:4]([H:10])[H:12],"InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3","InChI=1S/C3H6.H2O/c1-3-2;/h3H,1H2,2H3;1H2",58.6619,13.472929999999998,"1,3_Insertion_ROR"
2485,[C:1]([C:2]([C:3]([H:9])([H:10])[H:11])([O:4][H:12])[H:8])([H:5])([H:6])[H:7],[C:1]([C:3]([H:9])([H:10])[H:11])([H:5])([H:6])[H:7].[C:2]([O:4][H:12])[H:8],"InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3",InChI=1S/C2H6.CH2O/c2*1-2/h1-2H3;1-2H,127.30415,77.44321,
2486,[C:1]([C:2]([C:3]([H:9])([H:10])[H:11])([O:4][H:12])[H:8])([H:5])([H:6])[H:7],[C:1]([C:2]([C:3]([H:9])([H:10])[H:11])=[O:4])([H:5])([H:6])[H:7].[H:8][H:12],"InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3",InChI=1S/C3H6O.H2/c1-3(2)4;/h1-2H3;1H,76.33861,13.61214,
2487,[C:1]([C:2]([C:3]([H:9])([H:10])[H:11])([O:4][H:12])[H:8])([H:5])([H:6])[H:7],[C:1]([C:2][O:4][H:12])([H:5])([H:6])[H:7].[C:3]([H:8])([H:9])([H:10])[H:11],"InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3","InChI=1S/C2H4O.CH4/c1-2-3;/h3H,1H3;1H4",71.15645,62.31054,
2488,[C:1]([C:2]([C:3]([H:9])([H:10])[H:11])([O:4][H:12])[H:8])([H:5])([H:6])[H:7],[C:1]([C:3]([C:2](=[O:4])[H:8])([H:9])[H:11])([H:5])([H:6])[H:7].[H:10][H:12],"InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3","InChI=1S/C3H6O.H2/c1-2-3-4;/h3H,2H2,1H3;1H",89.22236,21.24758,
2489,[C:1]([C:2]([C:3]([H:9])([H:10])[H:11])([O:4][H:12])[H:8])([H:5])([H:6])[H:7],[C:1]([H:5])([H:6])([H:7])[H:12].[C:2]([C:3]([H:9])([H:10])[H:11])(=[O:4])[H:8],"InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3","InChI=1S/C2H4O.CH4/c1-2-3;/h2H,1H3;1H4",76.29337,6.911169999999999,
2490,[C:1]([C:2]([C:3]([H:9])([H:10])[H:11])([O:4][H:12])[H:8])([H:5])([H:6])[H:7],[C:1]([C:2](=[C:3]([H:9])[H:11])[O:4][H:12])([H:5])([H:6])[H:7].[H:8][H:10],"InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3","InChI=1S/C3H6O.H2/c1-3(2)4;/h4H,1H2,2H3;1H",97.57178,22.39396,
2491,[C:1]([C:2]([C:3]#[N:4])([H:8])[H:9])([H:5])([H:6])[H:7],[C:1]([C:2]([N+:4]#[C-:3])([H:8])[H:9])([H:5])([H:6])[H:7],"InChI=1S/C3H5N/c1-2-3-4/h2H2,1H3","InChI=1S/C3H5N/c1-3-4-2/h3H2,1H3",59.53191999999999,26.09664,
2492,[C:1]([C:2]([C:3]#[N:4])([H:8])[H:9])([H:5])([H:6])[H:7],[C:1]([C:2](=[C:3]=[N:4][H:8])[H:9])([H:5])([H:6])[H:7],"InChI=1S/C3H5N/c1-2-3-4/h2H2,1H3","InChI=1S/C3H5N/c1-2-3-4/h2,4H,1H3",82.74233000000001,19.84839,
2493,[C:1]([C:2]([C@@:3]1([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])([H:16])[O:6]1)([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C@@:3]([C:4][H:13])([O:6][C:5]([H:14])([H:15])[H:16])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-2-5-3-4-6-5/h5H,2-4H2,1H3/t5-/m0/s1","InChI=1S/C5H10O/c1-4-5(2)6-3/h2,5H,4H2,1,3H3/t5-/m1/s1",87.8048,80.34898000000001,
2494,[C:1]([C:2]([C@@:3]1([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])([H:16])[O:6]1)([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3][C:4]([C:5]([O:6][H:12])([H:15])[H:16])([H:13])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-2-5-3-4-6-5/h5H,2-4H2,1H3/t5-/m0/s1","InChI=1S/C5H10O/c1-2-3-4-5-6/h6H,2,4-5H2,1H3",67.70788,60.6882,
2495,[C:1]([C:2]([C@@:3]1([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])([H:16])[O:6]1)([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3][H:12])([H:10])[H:11])([H:7])([H:8])[H:9].[C:4]1([H:13])([H:14])[C:5]([H:15])([H:16])[O:6]1,"InChI=1S/C5H10O/c1-2-5-3-4-6-5/h5H,2-4H2,1H3/t5-/m0/s1","InChI=1S/C3H6.C2H4O/c1-3-2;1-2-3-1/h1H,3H2,2H3;1-2H2",111.73093,110.78941999999999,
2496,[C:1]([C:2]([C@@:3]1([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])([H:16])[O:6]1)([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3](=[C:4]([H:13])[H:14])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9].[C:5](=[O:6])([H:15])[H:16],"InChI=1S/C5H10O/c1-2-5-3-4-6-5/h5H,2-4H2,1H3/t5-/m0/s1","InChI=1S/C4H8.CH2O/c1-3-4-2;1-2/h3H,1,4H2,2H3;1H2",52.11748,7.92047,2+2_cycloaddition
2497,[C:1]([C:2]([C@@:3]1([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])([H:16])[O:6]1)([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C@@:3]([C:4]([H:13])([H:14])[H:15])([O+:6]=[C-:5][H:16])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-2-5-3-4-6-5/h5H,2-4H2,1H3/t5-/m0/s1","InChI=1S/C5H10O/c1-4-5(2)6-3/h3,5H,4H2,1-2H3/t5-/m1/s1",77.97695,44.91203,
2498,[C:1]([C:2]([C@@:3]1([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])([H:16])[O:6]1)([H:10])[H:11])([H:7])([H:8])[H:9],[C-:3]1=[O+:6][C:5]([H:15])([H:16])[C:4]1([H:13])[H:14].[C:1]([C:2]([H:10])([H:11])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-2-5-3-4-6-5/h5H,2-4H2,1H3/t5-/m0/s1",InChI=1S/C3H4O.C2H6/c1-2-4-3-1;1-2/h1-2H2;1-2H3,72.82094000000001,62.93289,
2499,[C:1]([C:2]([C@@:3]1([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])([H:16])[O:6]1)([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C@:3]1([H:12])[C:2]([H:10])([H:11])[O:6][C:5]([H:15])([H:16])[C:4]1([H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-2-5-3-4-6-5/h5H,2-4H2,1H3/t5-/m0/s1","InChI=1S/C5H10O/c1-5-2-3-6-4-5/h5H,2-4H2,1H3/t5-/m0/s1",79.3031,-14.939779999999999,
2500,[C:1]([C:2]([C@@:3]1([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])([H:16])[O:6]1)([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](/[C:3](=[C:4](/[C:5]([O:6][H:13])([H:15])[H:16])[H:14])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-2-5-3-4-6-5/h5H,2-4H2,1H3/t5-/m0/s1","InChI=1S/C5H10O/c1-2-3-4-5-6/h3-4,6H,2,5H2,1H3/b4-3+",82.45985999999999,-10.24905,
2501,[O:1]([C:2]([C:3]([O:4][C:5](=[O:6])[H:12])([H:10])[H:11])([H:8])[H:9])[H:7],[O:1]([C:2]([O:6][C:5](=[O+:4][C-:3]([H:10])[H:11])[H:12])([H:8])[H:9])[H:7],"InChI=1S/C3H6O3/c4-1-2-6-3-5/h3-4H,1-2H2","InChI=1S/C3H6O3/c1-5-3-6-2-4/h3-4H,1-2H2",85.1931,79.01719,
2502,[O:1]([C:2]([C:3]([O:4][C:5](=[O:6])[H:12])([H:10])[H:11])([H:8])[H:9])[H:7],[O:1]([C:2](=[C:3]([H:10])[H:11])[H:9])[H:7].[O:4]=[C:5]([O:6][H:8])[H:12],"InChI=1S/C3H6O3/c4-1-2-6-3-5/h3-4H,1-2H2","InChI=1S/C2H4O.CH2O2/c1-2-3;2-1-3/h2-3H,1H2;1H,(H,2,3)",43.89246,9.25336,Retroene
2503,[O:1]([C:2]([C:3]([O:4][C:5](=[O:6])[H:12])([H:10])[H:11])([H:8])[H:9])[H:7],[O:1]([C:2]([C:3]([H:10])([H:11])[H:12])([H:8])[H:9])[H:7].[O:4]=[C:5]=[O:6],"InChI=1S/C3H6O3/c4-1-2-6-3-5/h3-4H,1-2H2","InChI=1S/C2H6O.CO2/c1-2-3;2-1-3/h3H,2H2,1H3;",66.1446,-19.76153,"1,3_Insertion_CO2"
2504,[O:1]([C:2]([C:3]([O:4][C:5](=[O:6])[H:12])([H:10])[H:11])([H:8])[H:9])[H:7],[C:5](=[O:6])([H:10])[H:12].[O:1]([C:2]([C:3](=[O:4])[H:11])([H:8])[H:9])[H:7],"InChI=1S/C3H6O3/c4-1-2-6-3-5/h3-4H,1-2H2","InChI=1S/C2H4O2.CH2O/c3-1-2-4;1-2/h1,4H,2H2;1H2",67.43162,34.33504,
2505,[O:1]([C:2]([C:3]([O:4][C:5](=[O:6])[H:12])([H:10])[H:11])([H:8])[H:9])[H:7],[O:1]=[C:2]([C:3]([H:9])([H:10])[H:11])[H:8].[O:4]=[C:5]([O:6][H:7])[H:12],"InChI=1S/C3H6O3/c4-1-2-6-3-5/h3-4H,1-2H2","InChI=1S/C2H4O.CH2O2/c1-2-3;2-1-3/h2H,1H3;1H,(H,2,3)",37.71236,-0.05345,
2506,[O:1]([C:2]([C:3]([O:4][C:5](=[O:6])[H:12])([H:10])[H:11])([H:8])[H:9])[H:7],[O:1]([C:2]([C:3]([O+:4]=[C-:5][O:6][H:12])([H:10])[H:11])([H:8])[H:9])[H:7],"InChI=1S/C3H6O3/c4-1-2-6-3-5/h3-4H,1-2H2","InChI=1S/C3H6O3/c4-1-2-6-3-5/h4-5H,1-2H2",76.06034,46.1146,
2507,[O:1]([C:2]([C:3]([O:4][C:5](=[O:6])[H:12])([H:10])[H:11])([H:8])[H:9])[H:7],[O:1]1[C:2]([H:8])([H:9])[C:3]1([H:10])[H:11].[O:4]=[C:5]([O:6][H:7])[H:12],"InChI=1S/C3H6O3/c4-1-2-6-3-5/h3-4H,1-2H2","InChI=1S/C2H4O.CH2O2/c1-2-3-1;2-1-3/h1-2H2;1H,(H,2,3)",49.30325,27.42946,
2508,[O:1]([C:2]([C:3]([O:4][C:5](=[O:6])[H:12])([H:10])[H:11])([H:8])[H:9])[H:7],[H:8][H:10].[O:1](/[C:2](=[C:3](/[O:4][C:5](=[O:6])[H:12])[H:11])[H:9])[H:7],"InChI=1S/C3H6O3/c4-1-2-6-3-5/h3-4H,1-2H2",InChI=1S/C3H4O3.H2/c4-1-2-6-3-5;/h1-4H;1H/b2-1+;,92.09662,28.759459999999997,
2509,[O:1]([C:2]([C:3]([O:4][C:5](=[O:6])[H:12])([H:10])[H:11])([H:8])[H:9])[H:7],[H:7][H:10].[O:1]=[C:2]([C:3]([O:4][C:5](=[O:6])[H:12])([H:8])[H:11])[H:9],"InChI=1S/C3H6O3/c4-1-2-6-3-5/h3-4H,1-2H2","InChI=1S/C3H4O3.H2/c4-1-2-6-3-5;/h1,3H,2H2;1H",78.81528,23.65663,
2510,[O:1]([C:2]([C:3]([O:4][C:5](=[O:6])[H:12])([H:10])[H:11])([H:8])[H:9])[H:7],[O:1]1[C:2]([H:8])([H:9])[C:3]([H:10])([H:11])[O:4][C:5]1([O:6][H:7])[H:12],"InChI=1S/C3H6O3/c4-1-2-6-3-5/h3-4H,1-2H2","InChI=1S/C3H6O3/c4-3-5-1-2-6-3/h3-4H,1-2H2",39.682559999999995,10.79674,
2511,[O:1]([C:2]([C:3]([O:4][C:5](=[O:6])[H:12])([H:10])[H:11])([H:8])[H:9])[H:7],[O:1]=[C:2]([C:3]([O:4][C:5]([O:6][H:7])([H:8])[H:12])([H:10])[H:11])[H:9],"InChI=1S/C3H6O3/c4-1-2-6-3-5/h3-4H,1-2H2","InChI=1S/C3H6O3/c4-1-2-6-3-5/h1,5H,2-3H2",47.77163,21.30065,
2512,[O:1]([C:2]([C:3]([O:4][C:5](=[O:6])[H:12])([H:10])[H:11])([H:8])[H:9])[H:7],[C-:5]#[O+:6].[C:3](=[O:4])([H:10])[H:11].[O:1]([C:2]([H:8])([H:9])[H:12])[H:7],"InChI=1S/C3H6O3/c4-1-2-6-3-5/h3-4H,1-2H2","InChI=1S/CH4O.CH2O.CO/c3*1-2/h2H,1H3;1H2;",79.43559,32.988240000000005,
2513,[O:1]([C:2]([C:3]([O:4][C:5](=[O:6])[H:12])([H:10])[H:11])([H:8])[H:9])[H:7],[C:3](=[O:4])([H:10])[H:11].[C:5](=[O:6])([H:7])[H:12].[O:1]=[C:2]([H:8])[H:9],"InChI=1S/C3H6O3/c4-1-2-6-3-5/h3-4H,1-2H2",InChI=1S/3CH2O/c3*1-2/h3*1H2,71.72431,55.61702,
2514,[O:1]([C:2]([C:3]([O:4][C:5](=[O:6])[H:12])([H:10])[H:11])([H:8])[H:9])[H:7],[C:2](=[C:3]([O:4][C:5](=[O:6])[H:12])[H:11])([H:8])[H:9].[O:1]([H:7])[H:10],"InChI=1S/C3H6O3/c4-1-2-6-3-5/h3-4H,1-2H2","InChI=1S/C3H4O2.H2O/c1-2-5-3-4;/h2-3H,1H2;1H2",66.75895,14.77466,"1,3_Insertion_ROR"
2515,[C:1]([n:2]1[c:3]([H:10])[c:4]([H:11])[n:5][c:6]1[H:12])([H:7])([H:8])[H:9],[C:1]([N:2]1[C:3]([H:10])([H:11])[C-:4]=[N+:5]=[C:6]1[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H6N2/c1-6-3-2-5-4-6/h2-4H,1H3","InChI=1S/C4H6N2/c1-6-3-2-5-4-6/h4H,3H2,1H3",77.18817,69.66539,Singlet_Carbene_Intra_Disproportionation
2516,[C:1]([n:2]1[c:3]([H:10])[c:4]([H:11])[n:5][c:6]1[H:12])([H:7])([H:8])[H:9],[C:1](/[N:2]=[C:3](/[C@@:4]1([H:11])[N:5]=[C:6]1[H:12])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H6N2/c1-6-3-2-5-4-6/h2-4H,1H3","InChI=1S/C4H6N2/c1-5-2-4-3-6-4/h2-4H,1H3/b5-2+/t4-/m1/s1",96.92357,54.12266999999999,
2517,[C:1]([n:2]1[c:3]([H:10])[c:4]([H:11])[n:5][c:6]1[H:12])([H:7])([H:8])[H:9],[C:1]([n:2]1[c:3]([H:10])[c-:4][n:5]([H:11])[c+:6]1[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H6N2/c1-6-3-2-5-4-6/h2-4H,1H3","InChI=1S/C4H6N2/c1-6-3-2-5-4-6/h3-5H,1H3",82.33023,51.07002,
2518,[C:1]([n:2]1[c:3]([H:10])[c:4]([H:11])[n:5][c:6]1[H:12])([H:7])([H:8])[H:9],[C-:1]([N+:2]1=[C:6]([H:12])[N:5]=[C:4]([H:11])[C:3]1([H:7])[H:10])([H:8])[H:9],"InChI=1S/C4H6N2/c1-6-3-2-5-4-6/h2-4H,1H3","InChI=1S/C4H6N2/c1-6-3-2-5-4-6/h2,4H,1,3H2",88.58123,48.21566,
2519,[C:1]([n:2]1[c:3]([H:10])[c:4]([H:11])[n:5][c:6]1[H:12])([H:7])([H:8])[H:9],[C:1](/[N:2]=[C:3](/[C:4](=[N+:5]=[C-:6][H:12])[H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H6N2/c1-6-3-2-5-4-6/h2-4H,1H3","InChI=1S/C4H6N2/c1-5-3-4-6-2/h1,3-4H,2H3/b6-4+",54.53943,54.473180000000006,
2520,[C:1]([n:2]1[c:3]([H:10])[c:4]([H:11])[n:5][c:6]1[H:12])([H:7])([H:8])[H:9],[C:1]([N:2]=[C:6]([N:5]=[C:4]=[C:3]([H:10])[H:11])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H6N2/c1-6-3-2-5-4-6/h2-4H,1H3","InChI=1S/C4H6N2/c1-3-6-4-5-2/h4H,1H2,2H3",93.83436999999999,34.680279999999996,
2521,[C:1]([n:2]1[c:3]([H:10])[c:4]([H:11])[n:5][c:6]1[H:12])([H:7])([H:8])[H:9],[C-:1]([n+:2]1[c:3]([H:10])[c:4]([H:11])[n:5]([H:7])[c:6]1[H:12])([H:8])[H:9],"InChI=1S/C4H6N2/c1-6-3-2-5-4-6/h2-4H,1H3","InChI=1S/C4H6N2/c1-6-3-2-5-4-6/h2-5H,1H2",117.59427,52.27724,
2522,[C:1]([n:2]1[c:3]([H:10])[c:4]([H:11])[n:5][c:6]1[H:12])([H:7])([H:8])[H:9],[C:1]([N:2]1[C:3]([H:10])=[C:4]1[H:11])([H:7])([H:8])[H:9].[N:5]#[C:6][H:12],"InChI=1S/C4H6N2/c1-6-3-2-5-4-6/h2-4H,1H3","InChI=1S/C3H5N.CHN/c1-4-2-3-4;1-2/h2-3H,1H3;1H",124.19546000000001,102.7001,
2523,[C:1]([n:2]1[c:3]([H:10])[c:4]([H:11])[n:5][c:6]1[H:12])([H:7])([H:8])[H:9],[C:1](/[N:2]=[C:6](/[N:5]1[C:3]([H:10])=[C:4]1[H:11])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H6N2/c1-6-3-2-5-4-6/h2-4H,1H3","InChI=1S/C4H6N2/c1-5-4-6-2-3-6/h2-4H,1H3/b5-4+",97.79451,89.73449000000001,
2524,[C:1]([n:2]1[c:3]([H:10])[c:4]([H:11])[n:5][c:6]1[H:12])([H:7])([H:8])[H:9],[C-:1]([N+:2]1=[C:3]([H:10])[C:4]([H:7])([H:11])[N:5]=[C:6]1[H:12])([H:8])[H:9],"InChI=1S/C4H6N2/c1-6-3-2-5-4-6/h2-4H,1H3","InChI=1S/C4H6N2/c1-6-3-2-5-4-6/h3-4H,1-2H2",100.68321999999999,51.29403,
2525,[C:1]([n:2]1[c:3]([H:10])[c:4]([H:11])[n:5][c:6]1[H:12])([H:7])([H:8])[H:9],[C:1]([C:6]1([H:12])[N:2]=[C:3]([H:10])[C:4]([H:11])=[N:5]1)([H:7])([H:8])[H:9],"InChI=1S/C4H6N2/c1-6-3-2-5-4-6/h2-4H,1H3","InChI=1S/C4H6N2/c1-4-5-2-3-6-4/h2-4H,1H3",55.02863000000001,8.87038,
2526,[C:1]([n:2]1[c:3]([H:10])[c:4]([H:11])[n:5][c:6]1[H:12])([H:7])([H:8])[H:9],[C:1]1([H:8])([H:9])[N:2]2[C@:3]1([H:10])[C:4]([H:11])=[N:5][C:6]2([H:7])[H:12],"InChI=1S/C4H6N2/c1-6-3-2-5-4-6/h2-4H,1H3","InChI=1S/C4H6N2/c1-4-2-6(4)3-5-1/h1,4H,2-3H2/t4-,6?/m1/s1",105.32458000000001,36.58173,
2527,[C:1]([n:2]1[c:3]([H:10])[c:4]([H:11])[n:5][c:6]1[H:12])([H:7])([H:8])[H:9],[C:1]([N+:2]1([H:10])[C-:3]=[C:4]([H:11])[N:5]=[C:6]1[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H6N2/c1-6-3-2-5-4-6/h2-4H,1H3","InChI=1S/C4H6N2/c1-6-3-2-5-4-6/h2,4,6H,1H3",87.98703,81.45255,
2528,[C:1]([n:2]1[c:3]([H:10])[c:4]([H:11])[n:5][c:6]1[H:12])([H:7])([H:8])[H:9],[C-:1]([N+:2]1=[C:3]([H:10])[C:4]([H:11])=[N:5][C:6]1([H:7])[H:12])([H:8])[H:9],"InChI=1S/C4H6N2/c1-6-3-2-5-4-6/h2-4H,1H3","InChI=1S/C4H6N2/c1-6-3-2-5-4-6/h2-3H,1,4H2",87.27395,40.070859999999996,
2529,[C:1]([n:2]1[c:3]([H:10])[c:4]([H:11])[n:5][c:6]1[H:12])([H:7])([H:8])[H:9],[C:1]([C@:3]1([H:10])[N:2]=[C:6]([H:12])[N:5]=[C:4]1[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H6N2/c1-6-3-2-5-4-6/h2-4H,1H3","InChI=1S/C4H6N2/c1-4-2-5-3-6-4/h2-4H,1H3/t4-/m0/s1",60.419990000000006,10.898660000000001,
2530,[C:1]([n:2]1[c:3]([H:10])[c:4]([H:11])[n:5][c:6]1[H:12])([H:7])([H:8])[H:9],[C:1]([N:2]=[C:3]=[C:4]([H:10])[H:11])([H:7])([H:8])[H:9].[N:5]#[C:6][H:12],"InChI=1S/C4H6N2/c1-6-3-2-5-4-6/h2-4H,1H3","InChI=1S/C3H5N.CHN/c1-3-4-2;1-2/h1H2,2H3;1H",104.04041,43.58289,
2531,[C:1]([n:2]1[c:3]([H:10])[c:4]([H:11])[n:5][c:6]1[H:12])([H:7])([H:8])[H:9],[C-:1]([N+:2]1([H:7])[C:3]([H:10])=[C:4]([H:11])[N:5]=[C:6]1[H:12])([H:8])[H:9],"InChI=1S/C4H6N2/c1-6-3-2-5-4-6/h2-4H,1H3","InChI=1S/C4H6N2/c1-6-3-2-5-4-6/h2-4,6H,1H2",95.8335,91.54109,
2532,[C:1]([n:2]1[c:3]([H:10])[c:4]([H:11])[n:5][c:6]1[H:12])([H:7])([H:8])[H:9],[C:1]([N:2](/[C:6](=[N:5]\[C:4](=[C:3])[H:11])[H:12])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H6N2/c1-6-3-2-5-4-6/h2-4H,1H3","InChI=1S/C4H6N2/c1-3-6-4-5-2/h3-4H,2H3,(H,5,6)",92.21913,93.07736,
2533,[N:1](=[C:2](/[O:3][C:4](=[O:5])[H:8])[H:7])\[H:6],[N:1](=[C:2])[H:6].[O:3]=[C:4]([O:5][H:7])[H:8],InChI=1S/C2H3NO2/c3-1-5-2-4/h1-3H/b3-1+,"InChI=1S/CHN.CH2O2/c1-2;2-1-3/h2H;1H,(H,2,3)",34.81423,23.02391,
2534,[N:1](=[C:2](/[O:3][C:4](=[O:5])[H:8])[H:7])\[H:6],[N:1](=[C:2](/[O+:3]=[C-:4][O:5][H:8])[H:7])\[H:6],InChI=1S/C2H3NO2/c3-1-5-2-4/h1-3H/b3-1+,"InChI=1S/C2H3NO2/c3-1-5-2-4/h1,3-4H/b3-1+",78.1291,46.87274,
2535,[N:1](=[C:2](/[O:3][C:4](=[O:5])[H:8])[H:7])\[H:6],[N:1]([C-:2]=[O+:3][C:4](=[O:5])[H:8])([H:6])[H:7],InChI=1S/C2H3NO2/c3-1-5-2-4/h1-3H/b3-1+,"InChI=1S/C2H3NO2/c3-1-5-2-4/h2H,3H2",72.20019,30.58493,
2536,[N:1](=[C:2](/[O:3][C:4](=[O:5])[H:8])[H:7])\[H:6],[C-:4]#[O+:5].[N:1]([C:2](=[O:3])[H:7])([H:6])[H:8],InChI=1S/C2H3NO2/c3-1-5-2-4/h1-3H/b3-1+,"InChI=1S/CH3NO.CO/c2-1-3;1-2/h1H,(H2,2,3);",24.31567,-10.02864,
2537,[N:1](=[C:2](/[O:3][C:4](=[O:5])[H:8])[H:7])\[H:6],[N:1]([C:2](=[O:3])[H:7])([C:4](=[O:5])[H:8])[H:6],InChI=1S/C2H3NO2/c3-1-5-2-4/h1-3H/b3-1+,"InChI=1S/C2H3NO2/c4-1-3-2-5/h1-2H,(H,3,4,5)",18.9718,-15.6793,ketoenol
2538,[N:1](=[C:2](/[O:3][C:4](=[O:5])[H:8])[H:7])\[H:6],[N:1](=[C:2]([H:7])[H:8])[H:6].[O:3]=[C:4]=[O:5],InChI=1S/C2H3NO2/c3-1-5-2-4/h1-3H/b3-1+,"InChI=1S/CH3N.CO2/c1-2;2-1-3/h2H,1H2;",55.0317,-12.08811,"1,3_Insertion_CO2"
2539,[O:1]([C@@:2]([C:3](=[O:4])[H:9])([C:5]#[C:6][H:10])[H:8])[H:7],[O:1]=[C:2]([C:3]([O:4][H:7])([H:8])[H:9])[C:5]#[C:6][H:10],"InChI=1S/C4H4O2/c1-2-4(6)3-5/h1,3-4,6H/t4-/m1/s1","InChI=1S/C4H4O2/c1-2-4(6)3-5/h1,5H,3H2",31.077759999999998,-5.92767,
2540,[O:1]([C@@:2]([C:3](=[O:4])[H:9])([C:5]#[C:6][H:10])[H:8])[H:7],[O:1]([C:5]1=[C:6]([H:10])[C@@:2]1([C:3](=[O:4])[H:9])[H:8])[H:7],"InChI=1S/C4H4O2/c1-2-4(6)3-5/h1,3-4,6H/t4-/m1/s1","InChI=1S/C4H4O2/c5-2-3-1-4(3)6/h1-3,6H/t3-/m1/s1",71.4576,7.02296,
2541,[O:1]([C@@:2]([C:3](=[O:4])[H:9])([C:5]#[C:6][H:10])[H:8])[H:7],[O:1]([C@@:2]1([H:8])[C:3]([H:9])=[C:5]1[C:6](=[O:4])[H:10])[H:7],"InChI=1S/C4H4O2/c1-2-4(6)3-5/h1,3-4,6H/t4-/m1/s1","InChI=1S/C4H4O2/c5-2-3-1-4(3)6/h1-2,4,6H/t4-/m0/s1",73.67645999999999,8.43492,
2542,[O:1]([C@@:2]([C:3](=[O:4])[H:9])([C:5]#[C:6][H:10])[H:8])[H:7],[O:1](/[C:2](=[C:3](/[O:4][C:5]#[C:6][H:10])[H:9])[H:8])[H:7],"InChI=1S/C4H4O2/c1-2-4(6)3-5/h1,3-4,6H/t4-/m1/s1","InChI=1S/C4H4O2/c1-2-6-4-3-5/h1,3-5H/b4-3+",76.20265,22.50015,ketoenol
2543,[O:1]([C@@:2]([C:3](=[O:4])[H:9])([C:5]#[C:6][H:10])[H:8])[H:7],[O:1]([O:4]/[C:3](=[C:2](/[C:5]#[C:6][H:10])[H:8])[H:9])[H:7],"InChI=1S/C4H4O2/c1-2-4(6)3-5/h1,3-4,6H/t4-/m1/s1","InChI=1S/C4H4O2/c1-2-3-4-6-5/h1,3-5H/b4-3+",80.19596,57.2596,ketoenol
2544,[O:1]([C@@:2]([C:3](=[O:4])[H:9])([C:5]#[C:6][H:10])[H:8])[H:7],[O:1](/[C:2]([C:3](=[O:4])[H:9])=[C:5](\[C:6][H:10])[H:8])[H:7],"InChI=1S/C4H4O2/c1-2-4(6)3-5/h1,3-4,6H/t4-/m1/s1","InChI=1S/C4H4O2/c1-2-4(6)3-5/h1-3,6H/b4-2-",43.99613,37.98553,
2545,[O:1]([C@@:2]([C:3](=[O:4])[H:9])([C:5]#[C:6][H:10])[H:8])[H:7],[O:1]([C:2]([C:3](=[O:4])[H:9])=[C:5]=[C:6]([H:8])[H:10])[H:7],"InChI=1S/C4H4O2/c1-2-4(6)3-5/h1,3-4,6H/t4-/m1/s1","InChI=1S/C4H4O2/c1-2-4(6)3-5/h3,6H,1H2",46.6861,-18.6366,
2546,[O:1]([C@@:2]([C:3](=[O:4])[H:9])([C:5]#[C:6][H:10])[H:8])[H:7],[O:1]([C:2](=[C:5]=[C:6]([C:3](=[O:4])[H:9])[H:10])[H:8])[H:7],"InChI=1S/C4H4O2/c1-2-4(6)3-5/h1,3-4,6H/t4-/m1/s1","InChI=1S/C4H4O2/c5-3-1-2-4-6/h1,3-4,6H",40.66667,-13.45817,
2547,[O:1]([C@@:2]([C:3](=[O:4])[H:9])([C:5]#[C:6][H:10])[H:8])[H:7],[O:1]([C@@:2]([C:3](=[O:4])[H:9])([C:6](=[C:5])[H:10])[H:8])[H:7],"InChI=1S/C4H4O2/c1-2-4(6)3-5/h1,3-4,6H/t4-/m1/s1","InChI=1S/C4H4O2/c1-2-4(6)3-5/h2-4,6H/t4-/m1/s1",53.76121,48.98506,Singlet_Carbene_Intra_Disproportionation
2548,[O:1]([C@@:2]([C:3](=[O:4])[H:9])([C:5]#[C:6][H:10])[H:8])[H:7],[O:1]([C@@:2]1([H:8])[C:3]([H:9])=[C:6]([H:10])[C:5]1=[O:4])[H:7],"InChI=1S/C4H4O2/c1-2-4(6)3-5/h1,3-4,6H/t4-/m1/s1","InChI=1S/C4H4O2/c5-3-1-2-4(3)6/h1-3,5H/t3-/m0/s1",99.18585999999999,-16.55026,
2549,[O:1]([C@@:2]([C:3](=[O:4])[H:9])([C:5]#[C:6][H:10])[H:8])[H:7],[C-:3]#[O+:4].[O:1]([C:2](=[C:5]=[C:6]([H:9])[H:10])[H:8])[H:7],"InChI=1S/C4H4O2/c1-2-4(6)3-5/h1,3-4,6H/t4-/m1/s1","InChI=1S/C3H4O.CO/c1-2-3-4;1-2/h3-4H,1H2;",29.514740000000003,-9.92065,
2550,[O:1]([C@@:2]([C:3](=[O:4])[H:9])([C:5]#[C:6][H:10])[H:8])[H:7],[O:1]([C@@:2]([C:3][O:4][H:9])([C:5]#[C:6][H:10])[H:8])[H:7],"InChI=1S/C4H4O2/c1-2-4(6)3-5/h1,3-4,6H/t4-/m1/s1","InChI=1S/C4H4O2/c1-2-4(6)3-5/h1,4-6H/t4-/m1/s1",81.13208,56.40684,
2551,[O:1]([C@@:2]([C:3](=[O:4])[H:9])([C:5]#[C:6][H:10])[H:8])[H:7],[O:1]1[C@@:2]([C:5]#[C:6][H:10])([H:8])[C@@:3]1([O:4][H:7])[H:9],"InChI=1S/C4H4O2/c1-2-4(6)3-5/h1,3-4,6H/t4-/m1/s1","InChI=1S/C4H4O2/c1-2-3-4(5)6-3/h1,3-5H/t3-,4-/m1/s1",47.450340000000004,12.503039999999999,
2552,[O:1]([C@@:2]([C:3](=[O:4])[H:9])([C:5]#[C:6][H:10])[H:8])[H:7],[O:1]([c:2]1[c:3]([H:9])[o:4][c:6]([H:10])[c:5]1[H:8])[H:7],"InChI=1S/C4H4O2/c1-2-4(6)3-5/h1,3-4,6H/t4-/m1/s1","InChI=1S/C4H4O2/c5-4-1-2-6-3-4/h1-3,5H",48.67607,-35.58105,
2553,[O:1]([C@@:2]([C:3](=[O:4])[H:9])([C:5]#[C:6][H:10])[H:8])[H:7],[O:1](/[C:2](=[C:3](\[O:4][H:7])[H:9])[C:5]#[C:6][H:10])[H:8],"InChI=1S/C4H4O2/c1-2-4(6)3-5/h1,3-4,6H/t4-/m1/s1","InChI=1S/C4H4O2/c1-2-4(6)3-5/h1,3,5-6H/b4-3-",51.52195,-5.23795,ketoenol
2554,[C:1]([C:2]([C:3](=[O:4])[O:5][C:6]([H:12])([H:13])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](/[C:2](=[C:3](\[O:4][H:10])[O:5][C:6]([H:12])([H:13])[H:14])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-3-4(5)6-2/h3H2,1-2H3","InChI=1S/C4H8O2/c1-3-4(5)6-2/h3,5H,1-2H3/b4-3+",71.76,25.63939,ketoenol
2555,[C:1]([C:2]([C:3](=[O:4])[O:5][C:6]([H:12])([H:13])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([O:4][C-:3]=[O+:5][C:6]([H:12])([H:13])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-3-4(5)6-2/h3H2,1-2H3","InChI=1S/C4H8O2/c1-3-6-4-5-2/h3H2,1-2H3",99.61906,59.12619,
2556,[C:1]([C:2]([C:3](=[O:4])[O:5][C:6]([H:12])([H:13])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:4][C:3](=[C:2]([H:10])[H:11])[O:5][C:6]([H:12])([H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-3-4(5)6-2/h3H2,1-2H3","InChI=1S/C4H8O2/c1-4(5-2)6-3/h1H2,2-3H3",91.94587,37.36102,ketoenol
2557,[C:1]([C:2]([C:3](=[O:4])[O:5][C:6]([H:12])([H:13])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]=[O:4])[H:11])([H:7])([H:8])[H:9].[O:5]([C:6]([H:12])([H:13])[H:14])[H:10],"InChI=1S/C4H8O2/c1-3-4(5)6-2/h3H2,1-2H3","InChI=1S/C3H4O.CH4O/c1-2-3-4;1-2/h2H,1H3;2H,1H3",65.78303000000001,36.915490000000005,"1,3_Insertion_ROR"
2558,[C:1]([C:2]([C:3](=[O:4])[O:5][C:6]([H:12])([H:13])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]1([H:7])([H:8])[C:2]([H:10])([H:11])[C:3]1([O:4][H:9])[O:5][C:6]([H:12])([H:13])[H:14],"InChI=1S/C4H8O2/c1-3-4(5)6-2/h3H2,1-2H3","InChI=1S/C4H8O2/c1-6-4(5)2-3-4/h5H,2-3H2,1H3",87.44864,39.42613,
2559,[C:1]([C:2]([C:3](=[O:4])[O:5][C:6]([H:12])([H:13])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9],[C-:3]([O:4][H:9])=[O+:5][C:6]([H:12])([H:13])[H:14].[C:1](=[C:2]([H:10])[H:11])([H:7])[H:8],"InChI=1S/C4H8O2/c1-3-4(5)6-2/h3H2,1-2H3","InChI=1S/C2H4O2.C2H4/c1-4-2-3;1-2/h3H,1H3;1-2H2",77.46276999999999,73.92899,
2560,[C:1]([C:2]([C:3](=[O:4])[O:5][C:6]([H:12])([H:13])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]([H:10])[H:11])([H:7])[H:8].[C:3](=[O:4])([O:5][C:6]([H:12])([H:13])[H:14])[H:9],"InChI=1S/C4H8O2/c1-3-4(5)6-2/h3H2,1-2H3","InChI=1S/C2H4O2.C2H4/c1-4-2-3;1-2/h2H,1H3;1-2H2",99.5398,29.70512,
2561,[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([H:18])([H:19])[H:20])([H:16])[H:17])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]([C:3]([C:4]([C:5]([C:6]([H:18])([H:19])[H:20])([H:16])[H:17])([H:14])[H:15])([H:12])[H:13])[H:10])([H:7])[H:8].[H:9][H:11],"InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3","InChI=1S/C6H12.H2/c1-3-5-6-4-2;/h3H,1,4-6H2,2H3;1H",107.60792,30.61413,
2562,[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([H:18])([H:19])[H:20])([H:16])[H:17])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]([H:12])[H:13])[H:11])([H:7])([H:8])[H:9].[C:4](=[C:5]([C:6]([H:18])([H:19])[H:20])[H:16])([H:14])[H:15].[H:10][H:17],"InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3","InChI=1S/2C3H6.H2/c2*1-3-2;/h2*3H,1H2,2H3;1H",76.00229,49.351659999999995,
2563,[N:1]([C:2]([C@@:3]([N:4]([H:12])[H:13])([C:5]#[N:6])[H:11])([H:9])[H:10])([H:7])[H:8],[N:1]([C@:2]1([H:10])[C@:3]([N:4]([H:12])[H:13])([H:11])[C:5]1=[N:6][H:9])([H:7])[H:8],"InChI=1S/C3H7N3/c4-1-3(6)2-5/h3H,1,4,6H2/t3-/m1/s1","InChI=1S/C3H7N3/c4-1-2(5)3(1)6/h1-2,6H,4-5H2/t1-,2-/m1/s1",104.15677,31.42372,
2564,[N:1]([C:2]([C@@:3]([N:4]([H:12])[H:13])([C:5]#[N:6])[H:11])([H:9])[H:10])([H:7])[H:8],[N:1]([C:2]([C@@:3]1([H:11])[C:5]([N:4]([H:12])[H:13])=[N:6]1)([H:9])[H:10])([H:7])[H:8],"InChI=1S/C3H7N3/c4-1-3(6)2-5/h3H,1,4,6H2/t3-/m1/s1","InChI=1S/C3H7N3/c4-1-2-3(5)6-2/h2H,1,4H2,(H2,5,6)/t2-/m0/s1",78.27577,23.90681,
2565,[N:1]([C:2]([C@@:3]([N:4]([H:12])[H:13])([C:5]#[N:6])[H:11])([H:9])[H:10])([H:7])[H:8],[N:1]([C:2]([C@@:3]([N:4]([H:12])[H:13])([N+:6]#[C-:5])[H:11])([H:9])[H:10])([H:7])[H:8],"InChI=1S/C3H7N3/c4-1-3(6)2-5/h3H,1,4,6H2/t3-/m1/s1","InChI=1S/C3H7N3/c1-6-3(5)2-4/h3H,2,4-5H2/t3-/m0/s1",43.369,23.056929999999998,
2566,[N:1]([C:2]([C@@:3]([N:4]([H:12])[H:13])([C:5]#[N:6])[H:11])([H:9])[H:10])([H:7])[H:8],[N:1]([C:2]([C:3]([N:4]([H:12])[H:13])=[C:5]=[N:6][H:11])([H:9])[H:10])([H:7])[H:8],"InChI=1S/C3H7N3/c4-1-3(6)2-5/h3H,1,4,6H2/t3-/m1/s1","InChI=1S/C3H7N3/c4-1-3(6)2-5/h5H,1,4,6H2",80.19261,17.96516,
2567,[N:1]([C:2]([C@@:3]([N:4]([H:12])[H:13])([C:5]#[N:6])[H:11])([H:9])[H:10])([H:7])[H:8],[C@@:3]1([N:4]([H:12])[H:13])([H:11])[C:5]([H:8])=[N:6]1.[N:1](=[C:2]([H:9])[H:10])[H:7],"InChI=1S/C3H7N3/c4-1-3(6)2-5/h3H,1,4,6H2/t3-/m1/s1","InChI=1S/C2H4N2.CH3N/c3-2-1-4-2;1-2/h1-2H,3H2;2H,1H2/t2-;/m0./s1",61.202830000000006,53.507780000000004,
2568,[N:1]([C:2]([C@@:3]([N:4]([H:12])[H:13])([C:5]#[N:6])[H:11])([H:9])[H:10])([H:7])[H:8],[C:2]1([H:9])([H:10])[C@@:3]([C:5]#[N:6])([H:11])[N:4]1[H:13].[N:1]([H:7])([H:8])[H:12],"InChI=1S/C3H7N3/c4-1-3(6)2-5/h3H,1,4,6H2/t3-/m1/s1","InChI=1S/C3H4N2.H3N/c4-1-3-2-5-3;/h3,5H,2H2;1H3/t3-;/m0./s1",69.98616,23.0931,
2569,[N:1]([C:2]([C@@:3]([N:4]([H:12])[H:13])([C:5]#[N:6])[H:11])([H:9])[H:10])([H:7])[H:8],[N:1]([C:2]([C-:3]([N+:4]([H:11])([H:12])[H:13])[C:5]#[N:6])([H:9])[H:10])([H:7])[H:8],"InChI=1S/C3H7N3/c4-1-3(6)2-5/h3H,1,4,6H2/t3-/m1/s1","InChI=1S/C3H7N3/c4-1-3(6)2-5/h1,4H2,6H3",59.52874,35.35815,
2570,[N:1]([C:2]([C@@:3]([N:4]([H:12])[H:13])([C:5]#[N:6])[H:11])([H:9])[H:10])([H:7])[H:8],[N:1]([C:2]([C:3](=[C:5]=[N:6][N:4]([H:12])[H:13])[H:11])([H:9])[H:10])([H:7])[H:8],"InChI=1S/C3H7N3/c4-1-3(6)2-5/h3H,1,4,6H2/t3-/m1/s1","InChI=1S/C3H7N3/c4-2-1-3-6-5/h1H,2,4-5H2",78.86349,37.85503,
2571,[O:1]=[C:2]1[C:3]([H:6])([H:7])[O:4][C:5]1([H:8])[H:9],[O+:1]1=[C-:2][C:3]1([H:6])[H:7].[O:4]=[C:5]([H:8])[H:9],InChI=1S/C3H4O2/c4-3-1-5-2-3/h1-2H2,InChI=1S/C2H2O.CH2O/c1-2-3-1;1-2/h1H2;1H2,74.332,70.20752,
2572,[O:1]=[C:2]1[C:3]([H:6])([H:7])[O:4][C:5]1([H:8])[H:9],[O-:1][C:2]([C:3]([O:4][H:9])([H:6])[H:7])=[C+:5][H:8],InChI=1S/C3H4O2/c4-3-1-5-2-3/h1-2H2,"InChI=1S/C3H4O2/c1-3(5)2-4/h1,4H,2H2",62.36619,52.225629999999995,
2573,[O:1]=[C:2]1[C:3]([H:6])([H:7])[O:4][C:5]1([H:8])[H:9],[H:8][H:9].[O-:1][C:2]1=[C:5]=[O+:4][C:3]1([H:6])[H:7],InChI=1S/C3H4O2/c4-3-1-5-2-3/h1-2H2,InChI=1S/C3H2O2.H2/c4-3-1-5-2-3;/h1H2;1H,77.6293,74.42484,
2574,[O:1]=[C:2]1[C:3]([H:6])([H:7])[O:4][C:5]1([H:8])[H:9],[O:1]([C:2]1=[C:3]([H:6])[O:4][C:5]1([H:8])[H:9])[H:7],InChI=1S/C3H4O2/c4-3-1-5-2-3/h1-2H2,"InChI=1S/C3H4O2/c4-3-1-5-2-3/h1,4H,2H2",74.60619,18.28979,ketoenol
2575,[O:1]=[C:2]1[C:3]([H:6])([H:7])[O:4][C:5]1([H:8])[H:9],[O:1]=[C:2]([C:5]([O+:4]=[C-:3][H:6])([H:8])[H:9])[H:7],InChI=1S/C3H4O2/c4-3-1-5-2-3/h1-2H2,"InChI=1S/C3H4O2/c1-5-3-2-4/h1-2H,3H2",57.110440000000004,52.98656999999999,
2576,[O:1]=[C:2]1[C:3]([H:6])([H:7])[O:4][C:5]1([H:8])[H:9],[O:1]=[C:2]=[C:3]([H:6])[H:7].[O:4]=[C:5]([H:8])[H:9],InChI=1S/C3H4O2/c4-3-1-5-2-3/h1-2H2,InChI=1S/C2H2O.CH2O/c1-2-3;1-2/h1H2;1H2,46.57143,4.21783,2+2_cycloaddition
2577,[C:1]([N:2]1[C:3]([H:10])([H:11])[C@:4]1([C:5]([O:6][H:15])([H:13])[H:14])[H:12])([H:7])([H:8])[H:9],[C:1]([N+:2]1([H:11])[C-:3]([H:10])[C@:4]1([C:5]([O:6][H:15])([H:13])[H:14])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-5-2-4(5)3-6/h4,6H,2-3H2,1H3/t4-,5?/m0/s1","InChI=1S/C4H9NO/c1-5-2-4(5)3-6/h2,4-6H,3H2,1H3/t4-/m0/s1",66.91311999999999,45.41829,
2578,[C:1]([N:2]1[C:3]([H:10])([H:11])[C@:4]1([C:5]([O:6][H:15])([H:13])[H:14])[H:12])([H:7])([H:8])[H:9],[C:1]([C:3](/[N:2]=[C:4](\[C:5]([O:6][H:15])([H:13])[H:14])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-5-2-4(5)3-6/h4,6H,2-3H2,1H3/t4-,5?/m0/s1","InChI=1S/C4H9NO/c1-2-5-3-4-6/h3,6H,2,4H2,1H3/b5-3-",85.07155,-12.04448,
2579,[C:1]([N:2]1[C:3]([H:10])([H:11])[C@:4]1([C:5]([O:6][H:15])([H:13])[H:14])[H:12])([H:7])([H:8])[H:9],[C:1]([N:2]([C:3]([C@@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]1)([H:10])[H:11])[H:15])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-5-2-4(5)3-6/h4,6H,2-3H2,1H3/t4-,5?/m0/s1","InChI=1S/C4H9NO/c1-5-2-4-3-6-4/h4-5H,2-3H2,1H3/t4-/m0/s1",48.15835,6.07481,
2580,[C:1]([N:2]1[C:3]([H:10])([H:11])[C@:4]1([C:5]([O:6][H:15])([H:13])[H:14])[H:12])([H:7])([H:8])[H:9],[C:1]([N:2]1[C:3]([H:10])([H:11])[C@:4]1([C:5](=[O:6])[H:14])[H:12])([H:7])([H:8])[H:9].[H:13][H:15],"InChI=1S/C4H9NO/c1-5-2-4(5)3-6/h4,6H,2-3H2,1H3/t4-,5?/m0/s1","InChI=1S/C4H7NO.H2/c1-5-2-4(5)3-6;/h3-4H,2H2,1H3;1H/t4-,5?;/m0./s1",84.89007,22.32535,
2581,[C:1]([N:2]1[C:3]([H:10])([H:11])[C@:4]1([C:5]([O:6][H:15])([H:13])[H:14])[H:12])([H:7])([H:8])[H:9],[C-:1]([N+:2]1=[C:3]([H:11])[C@:4]1([C:5]([O:6][H:15])([H:13])[H:14])[H:12])([H:7])[H:9].[H:8][H:10],"InChI=1S/C4H9NO/c1-5-2-4(5)3-6/h4,6H,2-3H2,1H3/t4-,5?/m0/s1","InChI=1S/C4H7NO.H2/c1-5-2-4(5)3-6;/h2,4,6H,1,3H2;1H/t4-;/m0./s1",72.57506,66.67012,
2582,[C:1]([N:2]1[C:3]([H:10])([H:11])[C@:4]1([C:5]([O:6][H:15])([H:13])[H:14])[H:12])([H:7])([H:8])[H:9],[C:1]([N:2]=[C:3]([H:10])[H:11])([H:7])([H:8])[H:9].[C:4](=[C:5]([O:6][H:15])[H:14])([H:12])[H:13],"InChI=1S/C4H9NO/c1-5-2-4(5)3-6/h4,6H,2-3H2,1H3/t4-,5?/m0/s1","InChI=1S/C2H5N.C2H4O/c1-3-2;1-2-3/h1H2,2H3;2-3H,1H2",71.14061,5.53339,
2583,[C:1]([N:2]1[C:3]([H:10])([H:11])[C@:4]1([C:5]([O:6][H:15])([H:13])[H:14])[H:12])([H:7])([H:8])[H:9],[C-:1]([N+:2]1=[C:4]([C:5]([O:6][H:15])([H:13])[H:14])[C:3]1([H:10])[H:11])([H:7])[H:9].[H:8][H:12],"InChI=1S/C4H9NO/c1-5-2-4(5)3-6/h4,6H,2-3H2,1H3/t4-,5?/m0/s1","InChI=1S/C4H7NO.H2/c1-5-2-4(5)3-6;/h6H,1-3H2;1H",70.70631,65.19304,
2584,[C:1]([N:2]1[C:3]([H:10])([H:11])[C@:4]1([C:5]([O:6][H:15])([H:13])[H:14])[H:12])([H:7])([H:8])[H:9],[C:1]([N+:2]1=[C:3]([H:10])[C@:4]1([C-:5]([O:6][H:15])[H:14])[H:12])([H:7])([H:8])[H:9].[H:11][H:13],"InChI=1S/C4H9NO/c1-5-2-4(5)3-6/h4,6H,2-3H2,1H3/t4-,5?/m0/s1","InChI=1S/C4H7NO.H2/c1-5-2-4(5)3-6;/h2-4,6H,1H3;1H/t4-;/m0./s1",80.85791,82.73451,
2585,[C:1]([N:2]1[C:3]([H:10])([H:11])[C@:4]1([C:5]([O:6][H:15])([H:13])[H:14])[H:12])([H:7])([H:8])[H:9],[C:1]([C@@:4]([N:2]=[C:3]([H:10])[H:11])([C:5]([O:6][H:15])([H:13])[H:14])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-5-2-4(5)3-6/h4,6H,2-3H2,1H3/t4-,5?/m0/s1","InChI=1S/C4H9NO/c1-4(3-6)5-2/h4,6H,2-3H2,1H3/t4-/m1/s1",83.78772,-15.905429999999999,
2586,[C:1]([N:2]1[C:3]([H:10])([H:11])[C@:4]1([C:5]([O:6][H:15])([H:13])[H:14])[H:12])([H:7])([H:8])[H:9],[C:1]([N:2]1[C:3]([H:10])([H:11])[C:4]1=[C:5]([H:13])[H:14])([H:7])([H:8])[H:9].[O:6]([H:12])[H:15],"InChI=1S/C4H9NO/c1-5-2-4(5)3-6/h4,6H,2-3H2,1H3/t4-,5?/m0/s1","InChI=1S/C4H7N.H2O/c1-4-3-5(4)2;/h1,3H2,2H3;1H2",72.27617,18.54601,"1,3_Insertion_ROR"
2587,[C:1]([N:2]1[C:3]([H:10])([H:11])[C@:4]1([C:5]([O:6][H:15])([H:13])[H:14])[H:12])([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:15].[N:2]12[C:3]([H:10])([H:11])[C@@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]2,"InChI=1S/C4H9NO/c1-5-2-4(5)3-6/h4,6H,2-3H2,1H3/t4-,5?/m0/s1","InChI=1S/C3H5NO.CH4/c1-3-2-5-4(1)3;/h3H,1-2H2;1H4/t3-,4?;/m0./s1",105.19214,57.0401,
2588,[C:1]([C:2]1([H:10])[C:3]([H:11])([H:12])[C:4](=[O:5])[C:6]1([H:13])[H:14])([H:7])([H:8])[H:9],[C-:4]#[O+:5].[C:1]([C:6]([C:2](=[C:3]([H:11])[H:12])[H:10])([H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-4-2-5(6)3-4/h4H,2-3H2,1H3","InChI=1S/C4H8.CO/c1-3-4-2;1-2/h3H,1,4H2,2H3;",84.32069,2.89679,
2589,[C:1]([C:2]1([H:10])[C:3]([H:11])([H:12])[C:4](=[O:5])[C:6]1([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:6]([H:13])[H:14])[H:10])([H:7])([H:8])[H:9].[C:3](=[C:4]=[O:5])([H:11])[H:12],"InChI=1S/C5H8O/c1-4-2-5(6)3-4/h4H,2-3H2,1H3","InChI=1S/C3H6.C2H2O/c1-3-2;1-2-3/h3H,1H2,2H3;1H2",36.7024,19.03653,
2590,[C:1]([C:2]1([H:10])[C:3]([H:11])([H:12])[C:4](=[O:5])[C:6]1([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]([C@:2]1([H:10])[C:3]([H:12])=[C:4]([O:5][H:11])[C:6]1([H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-4-2-5(6)3-4/h4H,2-3H2,1H3","InChI=1S/C5H8O/c1-4-2-5(6)3-4/h2,4,6H,3H2,1H3/t4-/m1/s1",75.98461999999999,13.0008,ketoenol
2591,[C:1]([C:2]1([H:10])[C:3]([H:11])([H:12])[C:4](=[O:5])[C:6]1([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]([C:4]([C:3]([C:2](=[C:6]([H:13])[H:14])[H:10])([H:11])[H:12])=[O:5])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-4-2-5(6)3-4/h4H,2-3H2,1H3","InChI=1S/C5H8O/c1-3-4-5(2)6/h3H,1,4H2,2H3",98.26199,-1.33179,
2592,[C:1]([C:2]1([H:10])[C:3]([H:11])([H:12])[C:4](=[O:5])[C:6]1([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([C:4]([O-:5])=[C+:6][H:13])([H:11])[H:12])([H:10])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-4-2-5(6)3-4/h4H,2-3H2,1H3","InChI=1S/C5H8O/c1-3-4-5(2)6/h2H,3-4H2,1H3",66.88169,66.72485999999999,
2593,[C:1]([C:2]1([H:10])[C:3]([H:11])([H:12])[C:4](=[O:5])[C:6]1([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]1([H:8])([H:9])[C@:2]2([H:10])[C:3]([H:11])([H:12])[C:4](=[O:5])[C@:6]12[H:14].[H:7][H:13],"InChI=1S/C5H8O/c1-4-2-5(6)3-4/h4H,2-3H2,1H3","InChI=1S/C5H6O.H2/c6-5-2-3-1-4(3)5;/h3-4H,1-2H2;1H/t3-,4-;/m1./s1",99.27923,37.74028,
2594,[C:1]([C:2]1([H:10])[C:3]([H:11])([H:12])[C:4](=[O:5])[C:6]1([H:13])[H:14])([H:7])([H:8])[H:9],[C:1](/[C:2](=[C:3](/[C@@:4]1([H:12])[O:5][C:6]1([H:13])[H:14])[H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-4-2-5(6)3-4/h4H,2-3H2,1H3","InChI=1S/C5H8O/c1-2-3-5-4-6-5/h2-3,5H,4H2,1H3/b3-2+/t5-/m1/s1",94.49769,26.101979999999998,
2595,[C:1]([C:2]1([H:10])[C:3]([H:11])([H:12])[C:4](=[O:5])[C:6]1([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]([C:2][C:3]([C:4](=[O:5])[C:6]([H:10])([H:13])[H:14])([H:11])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-4-2-5(6)3-4/h4H,2-3H2,1H3","InChI=1S/C5H8O/c1-3-4-5(2)6/h4H2,1-2H3",70.77339,71.95894,
2596,[C:1]([C:2]1([H:10])[C:3]([H:11])([H:12])[C:4](=[O:5])[C:6]1([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]([C-:2]1[C:3]([H:11])([H:12])[C+:4]([O:5][H:10])[C:6]1([H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-4-2-5(6)3-4/h4H,2-3H2,1H3","InChI=1S/C5H8O/c1-4-2-5(6)3-4/h6H,2-3H2,1H3",92.52275999999999,80.81435,
2597,[C:1]([C:2]1([H:10])[C:3]([H:11])([H:12])[C:4](=[O:5])[C:6]1([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:14].[C:2]1([H:10])=[C:6]([H:13])[C:4](=[O:5])[C:3]1([H:11])[H:12],"InChI=1S/C5H8O/c1-4-2-5(6)3-4/h4H,2-3H2,1H3","InChI=1S/C4H4O.CH4/c5-4-2-1-3-4;/h1-2H,3H2;1H4",91.45382,20.30476,
2598,[C:1]([C:2]1([H:10])[C:3]([H:11])([H:12])[C:4](=[O:5])[C:6]1([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:10].[C:2]1[C:3]([H:11])([H:12])[C:4](=[O:5])[C:6]1([H:13])[H:14],"InChI=1S/C5H8O/c1-4-2-5(6)3-4/h4H,2-3H2,1H3",InChI=1S/C4H4O.CH4/c5-4-2-1-3-4;/h2-3H2;1H4,87.90768,94.39312,
2599,[C:1]([C:2]1([H:10])[C:3]([H:11])([H:12])[C:4](=[O:5])[C:6]1([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]([C:2]1=[C:3]([H:11])[C:4](=[O:5])[C:6]1([H:13])[H:14])([H:7])([H:8])[H:9].[H:10][H:12],"InChI=1S/C5H8O/c1-4-2-5(6)3-4/h4H,2-3H2,1H3","InChI=1S/C5H6O.H2/c1-4-2-5(6)3-4;/h2H,3H2,1H3;1H",108.8348,26.746679999999998,
2600,[C:1]([C:2]1([H:10])[C:3]([H:11])([H:12])[C:4](=[O:5])[C:6]1([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:11])([H:12])[H:14])([C:6](=[C:4]=[O:5])[H:13])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-4-2-5(6)3-4/h4H,2-3H2,1H3","InChI=1S/C5H8O/c1-5(2)3-4-6/h3,5H,1-2H3",70.63789,-1.09351,
2601,[C:1]([C:2]#[C:3][C:4]([C:5](=[O:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]=[C:3]=[C:4]([H:10])[H:11])([H:7])[H:8].[C:5](=[O:6])([H:9])[H:12],"InChI=1S/C5H6O/c1-2-3-4-5-6/h5H,4H2,1H3",InChI=1S/C4H4.CH2O/c1-3-4-2;1-2/h1-2H2;1H2,69.53829,31.503320000000002,
2602,[C:1]([C:2]#[C:3][C:4]([C:5](=[O:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]#[C:3][O:6][C:5](=[C:4]([H:10])[H:11])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C5H6O/c1-2-3-4-5-6/h5H,4H2,1H3","InChI=1S/C5H6O/c1-3-5-6-4-2/h4H,2H2,1H3",93.16623,25.50957,ketoenol
2603,[C:1]([C:2]#[C:3][C:4]([C:5](=[O:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]=[C:3]1[C:4]([H:10])([H:11])[C@@:5]1([O:6][H:9])[H:12])([H:7])[H:8],"InChI=1S/C5H6O/c1-2-3-4-5-6/h5H,4H2,1H3","InChI=1S/C5H6O/c1-2-4-3-5(4)6/h5-6H,1,3H2/t5-/m0/s1",50.83403,22.47916,
2604,[C:1]([C:2]#[C:3][C:4]([C:5](=[O:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C-:5]#[O+:6].[C:1]([C:2](=[C:3]=[C:4]([H:10])[H:11])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C5H6O/c1-2-3-4-5-6/h5H,4H2,1H3","InChI=1S/C4H6.CO/c1-3-4-2;1-2/h4H,1H2,2H3;",33.8029,-3.56264,
2605,[C:1]([C:2]#[C:3][C:4]([C:5](=[O:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3])[C:4]([C:5](=[O:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H6O/c1-2-3-4-5-6/h5H,4H2,1H3","InChI=1S/C5H6O/c1-5(2)3-4-6/h4H,3H2,1H3",56.11691999999999,53.92952,
2606,[C:1]([C:2]#[C:3][C:4]([C:5](=[O:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]1=[C:5]([H:12])[C:4]([H:10])([H:11])[C:3]1=[O:6])([H:7])([H:8])[H:9],"InChI=1S/C5H6O/c1-2-3-4-5-6/h5H,4H2,1H3","InChI=1S/C5H6O/c1-4-2-3-5(4)6/h2H,3H2,1H3",108.49717,-14.64383,
2607,[C:1]([C:2]#[C:3][C:4]([C:5](=[O:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]#[C:3][C:4]([C:5][O:6][H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H6O/c1-2-3-4-5-6/h5H,4H2,1H3","InChI=1S/C5H6O/c1-2-3-4-5-6/h6H,4H2,1H3",82.13365999999999,56.514269999999996,
2608,[C:1]([C:2]#[C:3][C:4]([C:5](=[O:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]=[C:4]([H:10])[H:11])[C:5](=[O:6])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C5H6O/c1-2-3-4-5-6/h5H,4H2,1H3","InChI=1S/C5H6O/c1-3-5(2)4-6/h4H,1H2,2H3",46.97439,-9.678339999999999,
2609,[C:1]([C:2]#[C:3][C:4]([C:5](=[O:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]=[C:4]([C:5](=[O:6])[H:12])[H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H6O/c1-2-3-4-5-6/h5H,4H2,1H3","InChI=1S/C5H6O/c1-2-3-4-5-6/h2,4-5H,1H3",55.64448,-7.99132,
2610,[C:1]([C:2]#[C:3][C:4]([C:5](=[O:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C@:5]1([H:12])[C:3][C:4]1([H:10])[H:11])=[O:6])([H:7])([H:8])[H:9],"InChI=1S/C5H6O/c1-2-3-4-5-6/h5H,4H2,1H3","InChI=1S/C5H6O/c1-4(6)5-2-3-5/h5H,2H2,1H3/t5-/m0/s1",78.32457,59.19862,
2611,[C:1]([C:2]#[C:3][C:4]([C:5](=[O:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]=[C:3]([C:4]([C:5](=[O:6])[H:12])([H:10])[H:11])[H:9])([H:7])[H:8],"InChI=1S/C5H6O/c1-2-3-4-5-6/h5H,4H2,1H3","InChI=1S/C5H6O/c1-2-3-4-5-6/h3,5H,1,4H2",89.38329,-0.45793999999999996,
2612,[C:1]([C:2]#[C:3][C:4]([C:5](=[O:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]=[C:3]1[C:4]([H:10])([H:11])[C:5]1=[O:6])([H:7])[H:8].[H:9][H:12],"InChI=1S/C5H6O/c1-2-3-4-5-6/h5H,4H2,1H3","InChI=1S/C5H4O.H2/c1-2-4-3-5(4)6;/h1,3H2;1H",87.45182,45.72883,
2613,[C:1]([C@@:2]([O:3][H:10])([C:4]([O:5][H:13])([H:11])[H:12])[H:9])([H:6])([H:7])[H:8],[C:1]([H:6])([H:7])([H:8])[H:13].[C:2](=[O:3])([C:4]([O:5][H:10])([H:11])[H:12])[H:9],"InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3/t3-/m1/s1","InChI=1S/C2H4O2.CH4/c3-1-2-4;/h1,4H,2H2;1H4",60.02755,7.06347,
2614,[C:1]([C@@:2]([O:3][H:10])([C:4]([O:5][H:13])([H:11])[H:12])[H:9])([H:6])([H:7])[H:8],[C:1](=[C:2]([O:3][H:10])[C:4]([O:5][H:13])([H:11])[H:12])([H:6])[H:8].[H:7][H:9],"InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3/t3-/m1/s1","InChI=1S/C3H6O2.H2/c1-3(5)2-4;/h4-5H,1-2H2;1H",97.81139,25.33472,
2615,[C:1]([C@@:2]([O:3][H:10])([C:4]([O:5][H:13])([H:11])[H:12])[H:9])([H:6])([H:7])[H:8],[C:1]([C:4]([C:2](=[O:3])[H:9])([H:11])[H:12])([H:6])([H:7])[H:8].[O:5]([H:10])[H:13],"InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3/t3-/m1/s1","InChI=1S/C3H6O.H2O/c1-2-3-4;/h3H,2H2,1H3;1H2",61.344190000000005,2.64732,
2616,[C:1]([C@@:2]([O:3][H:10])([C:4]([O:5][H:13])([H:11])[H:12])[H:9])([H:6])([H:7])[H:8],[C:1]([O:3][H:10])([H:6])([H:7])[H:8].[C:2]([C:4]([O:5][H:13])([H:11])[H:12])[H:9],"InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3/t3-/m1/s1","InChI=1S/C2H4O.CH4O/c1-2-3;1-2/h1,3H,2H2;2H,1H3",114.36907,30.46385,
2617,[C:1]([C@@:2]([O:3][H:10])([C:4]([O:5][H:13])([H:11])[H:12])[H:9])([H:6])([H:7])[H:8],[C:1]([C@@:2]1([H:9])[O:3][C:4]1([H:11])[H:12])([H:6])([H:7])[H:8].[O:5]([H:10])[H:13],"InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3/t3-/m1/s1","InChI=1S/C3H6O.H2O/c1-3-2-4-3;/h3H,2H2,1H3;1H2/t3-;/m1./s1",57.79725,24.61006,
2618,[C:1]([C@@:2]([O:3][H:10])([C:4]([O:5][H:13])([H:11])[H:12])[H:9])([H:6])([H:7])[H:8],[C:1]([C:2]([O:3][H:10])([H:9])[H:12])([H:6])([H:7])[H:8].[C:4]([O:5][H:13])[H:11],"InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3/t3-/m1/s1","InChI=1S/C2H6O.CH2O/c1-2-3;1-2/h3H,2H2,1H3;1-2H",67.78288,76.45786,
2619,[C:1]([C@@:2]([O:3][H:10])([C:4]([O:5][H:13])([H:11])[H:12])[H:9])([H:6])([H:7])[H:8],[C:1]([C:2]([O:3][H:10])([O:5][H:13])[H:9])([H:6])([H:7])[H:8].[C:4]([H:11])[H:12],"InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3/t3-/m1/s1","InChI=1S/C2H6O2.CH2/c1-2(3)4;/h2-4H,1H3;1H2",104.51547,109.437,
2620,[C:1]([C@@:2]([O:3][H:10])([C:4]([O:5][H:13])([H:11])[H:12])[H:9])([H:6])([H:7])[H:8],[C:1]([C:2][O:3][H:10])([H:6])([H:7])[H:8].[C:4]([O:5][H:13])([H:9])([H:11])[H:12],"InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3/t3-/m1/s1","InChI=1S/C2H4O.CH4O/c1-2-3;1-2/h3H,1H3;2H,1H3",97.2129,70.02619,
2621,[C:1]([C@@:2]([O:3][H:10])([C:4]([O:5][H:13])([H:11])[H:12])[H:9])([H:6])([H:7])[H:8],[C:1]([C@@:2]([O:3][H:10])([C:4](=[O:5])[H:11])[H:9])([H:6])([H:7])[H:8].[H:12][H:13],"InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3/t3-/m1/s1","InChI=1S/C3H6O2.H2/c1-3(5)2-4;/h2-3,5H,1H3;1H/t3-;/m1./s1",79.88675,21.23489,
2622,[C:1]([C@@:2]([O:3][H:10])([C:4]([O:5][H:13])([H:11])[H:12])[H:9])([H:6])([H:7])[H:8],[C:1]([C:2]([O:3][H:10])=[C:4]([H:11])[H:12])([H:6])([H:7])[H:8].[O:5]([H:9])[H:13],"InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3/t3-/m1/s1","InChI=1S/C3H6O.H2O/c1-3(2)4;/h4H,1H2,2H3;1H2",65.8172,3.79075,"1,3_Insertion_ROR"
2623,[C:1]([C@@:2]([O:3][H:10])([C:4]([O:5][H:13])([H:11])[H:12])[H:9])([H:6])([H:7])[H:8],[C:1]1([H:6])([H:8])[C:2]([O:3][H:10])([H:9])[C:4]1([H:11])[H:12].[O:5]([H:7])[H:13],"InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3/t3-/m1/s1","InChI=1S/C3H6O.H2O/c4-3-1-2-3;/h3-4H,1-2H2;1H2",84.72256,21.5917,
2624,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[N:6]1[H:13],[O:1]=[C:2]([C:3]([C:4](/[C:5](=[N:6]/[H:13])[H:12])([H:9])[H:10])([H:7])[H:8])[H:11],"InChI=1S/C4H7NO/c6-4-2-1-3-5-4/h1-3H2,(H,5,6)","InChI=1S/C4H7NO/c5-3-1-2-4-6/h3-5H,1-2H2/b5-3+",82.1812,27.558220000000002,
2625,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[N:6]1[H:13],[C:3](=[C:4]([H:9])[H:10])([H:7])[H:8].[C:5](=[N:6][H:13])([H:11])[H:12].[O+:1]#[C-:2],"InChI=1S/C4H7NO/c6-4-2-1-3-5-4/h1-3H2,(H,5,6)","InChI=1S/C2H4.CH3N.CO/c3*1-2/h1-2H2;2H,1H2;",74.99245,54.504780000000004,
2626,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[N:6]1[H:13],[O:1]([C:2]1=[C:3]([H:7])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[N:6]1[H:13])[H:8],"InChI=1S/C4H7NO/c6-4-2-1-3-5-4/h1-3H2,(H,5,6)","InChI=1S/C4H7NO/c6-4-2-1-3-5-4/h2,5-6H,1,3H2",71.54375999999999,25.803420000000003,ketoenol
2627,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[N:6]1[H:13],[O:1]=[C:2]([N:6]([C:5]([C:4](=[C:3]([H:7])[H:8])[H:9])([H:11])[H:12])[H:13])[H:10],"InChI=1S/C4H7NO/c6-4-2-1-3-5-4/h1-3H2,(H,5,6)","InChI=1S/C4H7NO/c1-2-3-5-4-6/h2,4H,1,3H2,(H,5,6)",99.25938000000001,20.77184,
2628,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[N:6]1[H:13],[O-:1][C:2](=[C+:3][H:8])[N:6]([C:5]([C:4]([H:7])([H:9])[H:10])([H:11])[H:12])[H:13],"InChI=1S/C4H7NO/c6-4-2-1-3-5-4/h1-3H2,(H,5,6)","InChI=1S/C4H7NO/c1-3-5-4(2)6/h2,5H,3H2,1H3",83.86825,86.69785999999999,
2629,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[N:6]1[H:13],[O:1]=[C:2]=[C:3]([C:4]([C:5]([N:6]([H:8])[H:13])([H:11])[H:12])([H:9])[H:10])[H:7],"InChI=1S/C4H7NO/c6-4-2-1-3-5-4/h1-3H2,(H,5,6)","InChI=1S/C4H7NO/c5-3-1-2-4-6/h2H,1,3,5H2",75.40459,29.73569,
2630,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[N:6]1[H:13],[H:7][H:11].[O-:1][C:2]1=[C:3]([H:8])[C:4]([H:9])([H:10])[C:5]([H:12])=[N+:6]1[H:13],"InChI=1S/C4H7NO/c6-4-2-1-3-5-4/h1-3H2,(H,5,6)","InChI=1S/C4H5NO.H2/c6-4-2-1-3-5-4;/h2-3,6H,1H2;1H",67.1303,55.35859,
2631,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[N:6]1[H:13],[O:1]([C+:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C-:5]([H:11])[N:6]1[H:13])[H:12],"InChI=1S/C4H7NO/c6-4-2-1-3-5-4/h1-3H2,(H,5,6)","InChI=1S/C4H7NO/c6-4-2-1-3-5-4/h3,5-6H,1-2H2",98.90648,65.01061,
2632,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[N:6]1[H:13],[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C-:5]([H:11])[N+:6]1([H:12])[H:13],"InChI=1S/C4H7NO/c6-4-2-1-3-5-4/h1-3H2,(H,5,6)","InChI=1S/C4H7NO/c6-4-2-1-3-5-4/h3H,1-2,5H2",89.21199,76.3028,
2633,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[N:6]1[H:13],[C:3](=[C:4]([H:9])[H:10])([H:7])[H:8].[C:5](=[N:6][H:13])([H:11])[H:12].[O+:1]#[C-:2],"InChI=1S/C4H7NO/c6-4-2-1-3-5-4/h1-3H2,(H,5,6)","InChI=1S/C2H4.CH3N.CO/c3*1-2/h1-2H2;2H,1H2;",75.01274000000001,54.494980000000005,
2634,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[N:6]1[H:13],[O:1]1[C:2](=[C:3]([H:7])[H:8])[N:6]([H:13])[C:5]([H:11])([H:12])[C:4]1([H:9])[H:10],"InChI=1S/C4H7NO/c6-4-2-1-3-5-4/h1-3H2,(H,5,6)","InChI=1S/C4H7NO/c1-4-5-2-3-6-4/h5H,1-3H2",95.91023,34.20243,ketoenol
2635,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[N:6]1[H:13],[O:1]([C@:2]12[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C@@:5]1([H:12])[N:6]2[H:13])[H:11],"InChI=1S/C4H7NO/c6-4-2-1-3-5-4/h1-3H2,(H,5,6)","InChI=1S/C4H7NO/c6-4-2-1-3(4)5-4/h3,5-6H,1-2H2/t3-,4-/m1/s1",119.93581999999999,61.215140000000005,
2636,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[N:6]1[H:13],[C:4](/[C:5](=[N:6]/[H:13])[H:11])([H:9])([H:10])[H:12].[O:1]=[C:2]=[C:3]([H:7])[H:8],"InChI=1S/C4H7NO/c6-4-2-1-3-5-4/h1-3H2,(H,5,6)","InChI=1S/C2H5N.C2H2O/c2*1-2-3/h2-3H,1H3;1H2/b3-2+;",101.83625,42.06037,
2637,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[N:6]1[H:13],[H:7][H:11].[O:1]=[C:2]=[C:3]([C:4](/[C:5](=[N:6]/[H:13])[H:12])([H:9])[H:10])[H:8],"InChI=1S/C4H7NO/c6-4-2-1-3-5-4/h1-3H2,(H,5,6)","InChI=1S/C4H5NO.H2/c5-3-1-2-4-6;/h2-3,5H,1H2;1H/b5-3+;",67.12113000000001,51.54527,
2638,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[N:6]1[H:13],[O:1]1/[C:2](=[N:6]\[H:13])[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C:5]1([H:11])[H:12],"InChI=1S/C4H7NO/c6-4-2-1-3-5-4/h1-3H2,(H,5,6)","InChI=1S/C4H7NO/c5-4-2-1-3-6-4/h5H,1-3H2/b5-4-",102.45631,14.83586,ketoenol
2639,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[N:6]1[H:13],[O:1]([C@@:2]12[C:3]([H:7])([H:8])[C@:4]1([H:9])[C:5]([H:11])([H:12])[N:6]2[H:13])[H:10],"InChI=1S/C4H7NO/c6-4-2-1-3-5-4/h1-3H2,(H,5,6)","InChI=1S/C4H7NO/c6-4-1-3(4)2-5-4/h3,5-6H,1-2H2/t3-,4+/m1/s1",116.02963999999999,64.45445,
2640,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[N:6]1[H:13],[O:1]=[C:2]([C:3]([C:4]([H:9])([H:10])[H:12])([H:7])[H:8])[N+:6](=[C-:5][H:11])[H:13],"InChI=1S/C4H7NO/c6-4-2-1-3-5-4/h1-3H2,(H,5,6)","InChI=1S/C4H7NO/c1-3-4(6)5-2/h2,5H,3H2,1H3",78.50403,61.64115,
2641,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[N:6]1[H:13],[C:3](=[C:4]([C:5]([H:9])([H:11])[H:12])[H:10])([H:7])[H:8].[O:1]=[C:2]=[N:6][H:13],"InChI=1S/C4H7NO/c6-4-2-1-3-5-4/h1-3H2,(H,5,6)","InChI=1S/C3H6.CHNO/c1-3-2;2-1-3/h3H,1H2,2H3;2H",88.2073,20.140220000000003,
2642,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[N:6]1[H:13],[O:1]([C:2]1=[N:6][C:5]([H:11])([H:12])[C:4]([H:9])([H:10])[C:3]1([H:7])[H:8])[H:13],"InChI=1S/C4H7NO/c6-4-2-1-3-5-4/h1-3H2,(H,5,6)","InChI=1S/C4H7NO/c6-4-2-1-3-5-4/h1-3H2,(H,5,6)",46.19039,10.067219999999999,ketoenol
2643,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[N:6]1[H:13],[C:3]1([H:7])([H:8])[C:4]([H:9])([H:10])[C:5]1([H:11])[H:12].[O:1]=[C:2]=[N:6][H:13],"InChI=1S/C4H7NO/c6-4-2-1-3-5-4/h1-3H2,(H,5,6)",InChI=1S/C3H6.CHNO/c1-2-3-1;2-1-3/h1-3H2;2H,90.47001999999999,28.486209999999996,
2644,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[N:6]1[H:13],[O:1](/[C:2]([C:3]([C:4](=[C:5]([H:11])[H:12])[H:10])([H:7])[H:8])=[N:6]\[H:13])[H:9],"InChI=1S/C4H7NO/c6-4-2-1-3-5-4/h1-3H2,(H,5,6)","InChI=1S/C4H7NO/c1-2-3-4(5)6/h2H,1,3H2,(H2,5,6)",85.7634,22.55765,
2645,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[N:6]1[H:13],[C:3](=[C:4]([H:9])[H:10])([H:7])[H:8].[C:5](=[N:6][H:13])([H:11])[H:12].[O+:1]#[C-:2],"InChI=1S/C4H7NO/c6-4-2-1-3-5-4/h1-3H2,(H,5,6)","InChI=1S/C2H4.CH3N.CO/c3*1-2/h1-2H2;2H,1H2;",75.00022,54.5296,
2646,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[N:6]1[H:13],[O:1]=[C:2]=[N:6][C:5]([C:4]([C:3]([H:7])([H:8])[H:13])([H:9])[H:10])([H:11])[H:12],"InChI=1S/C4H7NO/c6-4-2-1-3-5-4/h1-3H2,(H,5,6)","InChI=1S/C4H7NO/c1-2-3-5-4-6/h2-3H2,1H3",90.0314,5.15369,
2647,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[N:6]1[H:13],[O:1]1[C:2]([C:3]([C:4]([C:5]([H:11])([H:12])[H:13])([H:9])[H:10])([H:7])[H:8])=[N:6]1,"InChI=1S/C4H7NO/c6-4-2-1-3-5-4/h1-3H2,(H,5,6)","InChI=1S/C4H7NO/c1-2-3-4-5-6-4/h2-3H2,1H3",77.67993,78.59128,
2648,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[O:3][C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14],[C:1](=[C:2]([H:9])[H:10])([C:6]([O:5][C:4]([O:3][H:7])([H:11])[H:12])([H:13])[H:14])[H:8],InChI=1S/C4H8O2/c1-2-5-4-6-3-1/h1-4H2,"InChI=1S/C4H8O2/c1-2-3-6-4-5/h2,5H,1,3-4H2",71.43852,9.77062,
2649,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[O:3][C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14],[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[O:5][C:6]1([H:13])[H:14].[O:3]=[C:4]([H:11])[H:12],InChI=1S/C4H8O2/c1-2-5-4-6-3-1/h1-4H2,InChI=1S/C3H6O.CH2O/c1-2-4-3-1;1-2/h1-3H2;1H2,74.96183,35.10297,
2650,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[O:3][C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14],[C:1](=[C:2]([H:9])[H:10])([H:7])[H:8].[O:3]=[C:4]([H:11])[H:12].[O:5]=[C:6]([H:13])[H:14],InChI=1S/C4H8O2/c1-2-5-4-6-3-1/h1-4H2,InChI=1S/C2H4.2CH2O/c3*1-2/h1-2H2;2*1H2,57.42507,40.56257,
2651,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[O:3][C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14],[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[O:3][C:4]([H:11])([H:12])[O+:5]=[C-:6]1.[H:13][H:14],InChI=1S/C4H8O2/c1-2-5-4-6-3-1/h1-4H2,"InChI=1S/C4H6O2.H2/c1-2-5-4-6-3-1;/h1-2,4H2;1H",76.99538000000001,74.26069,
2652,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[O:3][C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14],[C:1]([C:6]([O:5][C:4]([O+:3]=[C-:2][H:9])([H:11])[H:12])([H:13])[H:14])([H:7])([H:8])[H:10],InChI=1S/C4H8O2/c1-2-5-4-6-3-1/h1-4H2,"InChI=1S/C4H8O2/c1-3-6-4-5-2/h2H,3-4H2,1H3",75.47376,67.23805,
2653,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[O:3][C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14],[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[O+:3]=[C-:4][O:5][C:6]1([H:13])[H:14].[H:11][H:12],InChI=1S/C4H8O2/c1-2-5-4-6-3-1/h1-4H2,InChI=1S/C4H6O2.H2/c1-2-5-4-6-3-1;/h1-3H2;1H,71.7668,51.369609999999994,
2654,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[O:3][C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14],[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[O:3][C:4]([H:11])([H:12])[O:5]1.[C:6]([H:13])[H:14],InChI=1S/C4H8O2/c1-2-5-4-6-3-1/h1-4H2,InChI=1S/C3H6O2.CH2/c1-2-5-3-4-1;/h1-3H2;1H2,117.44027,122.84518999999999,
2655,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[O:3][C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14],[C:1]([C:2]([O:3][H:12])([H:9])[H:10])([C:6]([O+:5]=[C-:4][H:11])([H:13])[H:14])([H:7])[H:8],InChI=1S/C4H8O2/c1-2-5-4-6-3-1/h1-4H2,"InChI=1S/C4H8O2/c1-6-4-2-3-5/h1,5H,2-4H2",60.73887,55.86229,
2656,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[O:3][C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14],[C@@:1]1([C:2]([H:8])([H:9])[H:10])([H:7])[O:5][C:6]1([H:13])[H:14].[O:3]=[C:4]([H:11])[H:12],InChI=1S/C4H8O2/c1-2-5-4-6-3-1/h1-4H2,"InChI=1S/C3H6O.CH2O/c1-3-2-4-3;1-2/h3H,2H2,1H3;1H2/t3-;/m0./s1",83.91141,31.4997,
2657,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[O:3][C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14],[C:1]1([H:8])=[C:2]([H:10])[O:3][C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14].[H:7][H:9],InChI=1S/C4H8O2/c1-2-5-4-6-3-1/h1-4H2,"InChI=1S/C4H6O2.H2/c1-2-5-4-6-3-1;/h1-2H,3-4H2;1H",98.70995,25.162229999999997,
2658,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[O:3][C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14],[C:1]([C:2]([O:3][C:4]([O:5][H:13])([H:11])[H:12])([H:9])[H:10])([C:6][H:14])([H:7])[H:8],InChI=1S/C4H8O2/c1-2-5-4-6-3-1/h1-4H2,"InChI=1S/C4H8O2/c1-2-3-6-4-5/h1,5H,2-4H2",89.02004000000001,85.0932,
2659,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[O:3][C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14],[C:1]1([H:7])([H:8])[C-:2]([H:10])[O+:3]=[C:4]([H:11])[O:5][C:6]1([H:13])[H:14].[H:9][H:12],InChI=1S/C4H8O2/c1-2-5-4-6-3-1/h1-4H2,"InChI=1S/C4H6O2.H2/c1-2-5-4-6-3-1;/h2,4H,1,3H2;1H",65.8975,69.87134,
2660,[N:1]([C:2]([C:3]#[N:4])([C:5]#[N:6])[H:9])([H:7])[H:8],[C:5]=[N:6][H:7].[N:1](=[C:2](\[C:3]#[N:4])[H:9])\[H:8],"InChI=1S/C3H3N3/c4-1-3(6)2-5/h3H,6H2","InChI=1S/C2H2N2.CHN/c3-1-2-4;1-2/h1,3H;2H/b3-1-;",51.03651,34.887570000000004,
2661,[N:1]([C:2]([C:3]#[N:4])([C:5]#[N:6])[H:9])([H:7])[H:8],[N:1]([C+:2]([C:3](=[N-:4])[H:9])[C:5]#[N:6])([H:7])[H:8],"InChI=1S/C3H3N3/c4-1-3(6)2-5/h3H,6H2","InChI=1S/C3H3N3/c4-1-3(6)2-5/h1H,6H2",51.902120000000004,37.80213,
2662,[N:1]([C:2]([C:3]#[N:4])([C:5]#[N:6])[H:9])([H:7])[H:8],[N+:1]([C-:2]([C:3]#[N:4])[H:9])([C:5]#[N:6])([H:7])[H:8],"InChI=1S/C3H3N3/c4-1-3(6)2-5/h3H,6H2","InChI=1S/C3H3N3/c4-1-2-6-3-5/h2H,6H2",70.63688,68.49696999999999,
2663,[N:1]([C:2]([C:3]#[N:4])([C:5]#[N:6])[H:9])([H:7])[H:8],[N:1]([N:4]=[C:3]=[C:2]([C:5]#[N:6])[H:9])([H:7])[H:8],"InChI=1S/C3H3N3/c4-1-3(6)2-5/h3H,6H2","InChI=1S/C3H3N3/c4-2-1-3-6-5/h1H,5H2",74.63620999999999,26.8616,
2664,[N:1]([C:2]([C:3]#[N:4])([C:5]#[N:6])[H:9])([H:7])[H:8],[N:1]([C@@:2]([N+:4]#[C-:3])([C:5]#[N:6])[H:9])([H:7])[H:8],"InChI=1S/C3H3N3/c4-1-3(6)2-5/h3H,6H2","InChI=1S/C3H3N3/c1-6-3(5)2-4/h3H,5H2/t3-/m0/s1",45.900079999999996,24.12464,
2665,[N:1]([C:2]([C:3]#[N:4])([C:5]#[N:6])[H:9])([H:7])[H:8],[N:1]([C:2](=[C:3]=[N:4][H:9])[C:5]#[N:6])([H:7])[H:8],"InChI=1S/C3H3N3/c4-1-3(6)2-5/h3H,6H2","InChI=1S/C3H3N3/c4-1-3(6)2-5/h4H,6H2",64.22636999999999,9.56815,
2666,[N:1]([C:2]([C:3]#[N:4])([C:5]#[N:6])[H:9])([H:7])[H:8],[N+:1]([C-:2]([C:3]#[N:4])[C:5]#[N:6])([H:7])([H:8])[H:9],"InChI=1S/C3H3N3/c4-1-3(6)2-5/h3H,6H2",InChI=1S/C3H3N3/c4-1-3(6)2-5/h6H3,54.263740000000006,26.92704,
2667,[N:1]([C:2]([C:3]#[N:4])([C:5]#[N:6])[H:9])([H:7])[H:8],[N:1]([C@:2]1([H:9])[C:3]([N+:6]#[C-:5])=[N:4]1)([H:7])[H:8],"InChI=1S/C3H3N3/c4-1-3(6)2-5/h3H,6H2","InChI=1S/C3H3N3/c1-5-3-2(4)6-3/h2H,4H2/t2-/m0/s1",64.71004,52.998630000000006,
2668,[o:1]1[c:2]([H:6])[c:3]([H:7])[c:4]([H:8])[c:5]1[H:9],[O:1]=[C:5]([C:4](=[C:3]=[C:2]([H:6])[H:7])[H:8])[H:9],InChI=1S/C4H4O/c1-2-4-5-3-1/h1-4H,"InChI=1S/C4H4O/c1-2-3-4-5/h3-4H,1H2",69.90565,24.68693,
2669,[o:1]1[c:2]([H:6])[c:3]([H:7])[c:4]([H:8])[c:5]1[H:9],[O+:1]1=[C-:2][C:3]([H:6])([H:7])[C:4]([H:8])=[C:5]1[H:9],InChI=1S/C4H4O/c1-2-4-5-3-1/h1-4H,"InChI=1S/C4H4O/c1-2-4-5-3-1/h1,3H,2H2",66.1301,59.44772,Singlet_Carbene_Intra_Disproportionation
2670,[o:1]1[c:2]([H:6])[c:3]([H:7])[c:4]([H:8])[c:5]1[H:9],[O:1]1[C@@:2]2([H:6])[C:3]([H:7])=[C:4]([H:8])[C@@:5]12[H:9],InChI=1S/C4H4O/c1-2-4-5-3-1/h1-4H,"InChI=1S/C4H4O/c1-2-4-3(1)5-4/h1-4H/t3-,4+",104.16414,68.36856999999999,Intra_2+2_cycloaddition_Cd
2671,[o:1]1[c:2]([H:6])[c:3]([H:7])[c:4]([H:8])[c:5]1[H:9],[O:1]1[C:3](=[C:2]([H:6])[H:7])[C:4]([H:8])=[C:5]1[H:9],InChI=1S/C4H4O/c1-2-4-5-3-1/h1-4H,"InChI=1S/C4H4O/c1-4-2-3-5-4/h2-3H,1H2",79.13371,41.8253,
2672,[o:1]1[c:2]([H:6])[c:3]([H:7])[c:4]([H:8])[c:5]1[H:9],[O+:1]1=[C-:5][C:4]([H:8])=[C:3]([H:7])[C:2]1([H:6])[H:9],InChI=1S/C4H4O/c1-2-4-5-3-1/h1-4H,"InChI=1S/C4H4O/c1-2-4-5-3-1/h1-2H,3H2",120.79123,56.2137,
2673,[o:1]1[c:2]([H:6])[c:3]([H:7])[c:4]([H:8])[c:5]1[H:9],[O:1]=[C:2]([C:3]1([H:7])[C:4]([H:8])=[C:5]1[H:9])[H:6],InChI=1S/C4H4O/c1-2-4-5-3-1/h1-4H,InChI=1S/C4H4O/c5-3-4-1-2-4/h1-4H,76.18281999999999,47.550470000000004,ketoenol
2674,[C:1]([c:2]1[c:3]([H:10])[o:4][c:5]([H:11])[n:6]1)([H:7])([H:8])[H:9],[C:1]([c:2]1[c:3]([H:10])[o+:4][c-:5][n:6]1[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-4-2-6-3-5-4/h2-3H,1H3","InChI=1S/C4H5NO/c1-4-2-6-3-5-4/h2,5H,1H3",70.14744,33.06051,
2675,[C:1]([c:2]1[c:3]([H:10])[o:4][c:5]([H:11])[n:6]1)([H:7])([H:8])[H:9],[C:1]([n+:6]1[c-:2][c:3]([H:10])[o:4][c:5]1[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-4-2-6-3-5-4/h2-3H,1H3","InChI=1S/C4H5NO/c1-5-2-3-6-4-5/h3-4H,1H3",109.78376999999999,56.99041,
2676,[C:1]([c:2]1[c:3]([H:10])[o:4][c:5]([H:11])[n:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]1=[C:3]([H:10])[N:6]1[C:5](=[O:4])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-4-2-6-3-5-4/h2-3H,1H3","InChI=1S/C4H5NO/c1-4-2-5(4)3-6/h2-3H,1H3",73.52864,68.60603,ketoenol
2677,[C:1]([c:2]1[c:3]([H:10])[o:4][c:5]([H:11])[n:6]1)([H:7])([H:8])[H:9],[C:1]([C@:2]1([C:3](=[O:4])[H:10])[C:5]([H:11])=[N:6]1)([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-4-2-6-3-5-4/h2-3H,1H3","InChI=1S/C4H5NO/c1-4(3-6)2-5-4/h2-3H,1H3/t4-/m1/s1",78.85021,43.1816,ketoenol
2678,[C:1]([c:2]1[c:3]([H:10])[o:4][c:5]([H:11])[n:6]1)([H:7])([H:8])[H:9],[C:1]([C@:2]1([H:10])[C-:3]=[O+:4][C:5]([H:11])=[N:6]1)([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-4-2-6-3-5-4/h2-3H,1H3","InChI=1S/C4H5NO/c1-4-2-6-3-5-4/h3-4H,1H3/t4-/m1/s1",65.2545,59.87409,Singlet_Carbene_Intra_Disproportionation
2679,[C:1]([c:2]1[c:3]([H:10])[o:4][c:5]([H:11])[n:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]#[C:3][H:10])([H:7])([H:8])[H:9].[O:4]=[C:5]=[N:6][H:11],"InChI=1S/C4H5NO/c1-4-2-6-3-5-4/h2-3H,1H3","InChI=1S/C3H4.CHNO/c1-3-2;2-1-3/h1H,2H3;2H",90.14483,29.00112,
2680,[C:1]([c:2]1[c:3]([H:10])[o:4][c:5]([H:11])[n:6]1)([H:7])([H:8])[H:9],[C:1](=[C:2]1[C:3]([H:7])([H:10])[O:4][C:5]([H:11])=[N:6]1)([H:8])[H:9],"InChI=1S/C4H5NO/c1-4-2-6-3-5-4/h2-3H,1H3","InChI=1S/C4H5NO/c1-4-2-6-3-5-4/h3H,1-2H2",86.00603000000001,13.197,
2681,[C:1]([c:2]1[c:3]([H:10])[o:4][c:5]([H:11])[n:6]1)([H:7])([H:8])[H:9],[C:1]1([H:8])([H:9])[C:2](=[N:6][C:5](=[O:4])[H:11])[C:3]1([H:7])[H:10],"InChI=1S/C4H5NO/c1-4-2-6-3-5-4/h2-3H,1H3","InChI=1S/C4H5NO/c6-3-5-4-1-2-4/h3H,1-2H2",85.12640999999999,35.67236,
2682,[C:1]([c:2]1[c:3]([H:10])[o:4][c:5]([H:11])[n:6]1)([H:7])([H:8])[H:9],[C:1](=[C:2]([C:3](=[O:4])[H:10])[N:6]=[C:5]([H:7])[H:11])([H:8])[H:9],"InChI=1S/C4H5NO/c1-4-2-6-3-5-4/h2-3H,1H3","InChI=1S/C4H5NO/c1-4(3-6)5-2/h3H,1-2H2",110.79523,24.72679,
2683,[C:1]([c:2]1[c:3]([H:10])[o:4][c:5]([H:11])[n:6]1)([H:7])([H:8])[H:9],[C:1](=[C:2]1[C-:3]([H:10])[O+:4]=[C:5]([H:11])[N:6]1[H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-4-2-6-3-5-4/h2-3H,1H3","InChI=1S/C4H5NO/c1-4-2-6-3-5-4/h2-3,5H,1H2",79.80349,55.32365,
2684,[C:1]([c:2]1[c:3]([H:10])[o:4][c:5]([H:11])[n:6]1)([H:7])([H:8])[H:9],[C:1]([C:3](=[C:2]=[N:6][C:5](=[O:4])[H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-4-2-6-3-5-4/h2-3H,1H3","InChI=1S/C4H5NO/c1-2-3-5-4-6/h2,4H,1H3",77.31539000000001,22.79741,
2685,[C:1]([c:2]1[c:3]([H:10])[o:4][c:5]([H:11])[n:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]1=[N:6][C@@:3]1([C:5](=[O:4])[H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-4-2-6-3-5-4/h2-3H,1H3","InChI=1S/C4H5NO/c1-3-4(2-6)5-3/h2,4H,1H3/t4-/m1/s1",83.13943,35.715709999999994,
2686,[C:1]([c:2]1[c:3]([H:10])[o:4][c:5]([H:11])[n:6]1)([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3])/[N:6]=[C:5](\[O:4][H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-4-2-6-3-5-4/h2-3H,1H3","InChI=1S/C4H5NO/c1-4(2)5-3-6/h3H,1H3,(H,5,6)",88.64197,88.38135,
2687,[C:1]([c:2]1[c:3]([H:10])[o:4][c:5]([H:11])[n:6]1)([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]=[O:4])[H:10])([H:7])([H:8])[H:9].[C:5](#[N:6])[H:11],"InChI=1S/C4H5NO/c1-4-2-6-3-5-4/h2-3H,1H3","InChI=1S/C3H4O.CHN/c1-2-3-4;1-2/h2H,1H3;1H",79.38897,30.641759999999998,
2688,[C:1]([c:2]1[c:3]([H:10])[o:4][c:5]([H:11])[n:6]1)([H:7])([H:8])[H:9],[C:1](=[C:2]1[C-:3]=[O+:4][C:5]([H:11])=[N:6]1)([H:8])[H:9].[H:7][H:10],"InChI=1S/C4H5NO/c1-4-2-6-3-5-4/h2-3H,1H3","InChI=1S/C4H3NO.H2/c1-4-2-6-3-5-4;/h3H,1H2;1H",109.78093,84.85347,
2689,[C:1]([c:2]1[c:3]([H:10])[o:4][c:5]([H:11])[n:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]1=[N:6][C@:5]2([H:11])[C@@:3]1([H:10])[O:4]2)([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-4-2-6-3-5-4/h2-3H,1H3","InChI=1S/C4H5NO/c1-2-3-4(5-2)6-3/h3-4H,1H3/t3-,4-/m0/s1",91.43458000000001,68.30029,
2690,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4]([C:5](=[O:6])[H:16])([H:14])[H:15])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])(/[C:4](=[C:5](\[O:6][H:15])[H:16])[H:14])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-5(2)3-4-6/h4-5H,3H2,1-2H3","InChI=1S/C5H10O/c1-5(2)3-4-6/h3-6H,1-2H3/b4-3-",67.82706,7.6955100000000005,ketoenol
2691,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4]([C:5](=[O:6])[H:16])([H:14])[H:15])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([O:6][C:5](=[C:4]([H:14])[H:15])[H:16])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-5(2)3-4-6/h4-5H,3H2,1-2H3","InChI=1S/C5H10O/c1-4-6-5(2)3/h4-5H,1H2,2-3H3",71.82654000000001,13.579920000000001,ketoenol
2692,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4]([C:5](=[O:6])[H:16])([H:14])[H:15])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])=[C:4]([H:14])[H:15])([H:7])([H:8])[H:9].[C:5](=[O:6])([H:10])[H:16],"InChI=1S/C5H10O/c1-5(2)3-4-6/h4-5H,3H2,1-2H3","InChI=1S/C4H8.CH2O/c1-4(2)3;1-2/h1H2,2-3H3;1H2",60.14546,25.9993,
2693,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4]([C:5](=[O:6])[H:16])([H:14])[H:15])[H:10])([H:7])([H:8])[H:9],[C-:5]#[O+:6].[C:1]([H:7])([H:8])([H:9])[H:16].[C:2]([C:3]([H:11])([H:12])[H:13])(=[C:4]([H:14])[H:15])[H:10],"InChI=1S/C5H10O/c1-5(2)3-4-6/h4-5H,3H2,1-2H3","InChI=1S/C3H6.CO.CH4/c1-3-2;1-2;/h3H,1H2,2H3;;1H4",72.90315,16.16265,
2694,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4]([C:5](=[O:6])[H:16])([H:14])[H:15])[H:10])([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:10].[C:2]([C:3]([H:11])([H:12])[H:13])[C:4]([C:5](=[O:6])[H:16])([H:14])[H:15],"InChI=1S/C5H10O/c1-5(2)3-4-6/h4-5H,3H2,1-2H3","InChI=1S/C4H6O.CH4/c1-2-3-4-5;/h4H,3H2,1H3;1H4",85.83827,90.39010999999999,
2695,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4]([C:5](=[O:6])[H:16])([H:14])[H:15])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([H:10])[H:15])([H:7])([H:8])[H:9].[C:4](=[C:5]=[O:6])([H:14])[H:16],"InChI=1S/C5H10O/c1-5(2)3-4-6/h4-5H,3H2,1-2H3","InChI=1S/C3H8.C2H2O/c1-3-2;1-2-3/h3H2,1-2H3;1H2",75.03633,16.01004,
2696,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4]([C:5](=[O:6])[H:16])([H:14])[H:15])[H:10])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:12])([H:13])[C@@:5]([O:6][H:11])([H:16])[C:4]1([H:14])[H:15])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-5(2)3-4-6/h4-5H,3H2,1-2H3","InChI=1S/C5H10O/c1-4-2-5(6)3-4/h4-6H,2-3H2,1H3/t4-,5-",86.80078,16.6096,
2697,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4]([C:5](=[O:6])[H:16])([H:14])[H:15])[H:10])([H:7])([H:8])[H:9],[C-:5]#[O+:6].[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4]([H:14])([H:15])[H:16])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-5(2)3-4-6/h4-5H,3H2,1-2H3","InChI=1S/C4H10.CO/c1-4(2)3;1-2/h4H,1-3H3;",76.94422,-1.7054799999999999,"1,2_Insertion_CO"
2698,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4]([C:5](=[O:6])[H:16])([H:14])[H:15])[H:10])([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:15].[C:2](\[C:3]([H:11])([H:12])[H:13])(=[C:4](/[C:5](=[O:6])[H:16])[H:14])[H:10],"InChI=1S/C5H10O/c1-5(2)3-4-6/h4-5H,3H2,1-2H3","InChI=1S/C4H6O.CH4/c1-2-3-4-5;/h2-4H,1H3;1H4/b3-2+;",85.67639,12.320210000000001,
2699,[C:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[c:5]([H:12])[n:6]1[H:13])([H:7])([H:8])[H:9],[C:1]([C:2]1=[N:6][C:5]([H:12])([H:13])[C:4]([H:11])=[C:3]1[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-5-3-2-4-6-5/h2-4,6H,1H3","InChI=1S/C5H7N/c1-5-3-2-4-6-5/h2-3H,4H2,1H3",43.08724,12.36091,
2700,[C:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[c:5]([H:12])[n:6]1[H:13])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C-:3]=[C:4]([H:11])[C+:5]([H:12])[N:6]1[H:13])([H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-5-3-2-4-6-5/h2-4,6H,1H3","InChI=1S/C5H7N/c1-5-3-2-4-6-5/h2,4-6H,1H3/t5-/m0/s1",72.13037,69.91201,Singlet_Carbene_Intra_Disproportionation
2701,[C:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[c:5]([H:12])[n:6]1[H:13])([H:7])([H:8])[H:9],[C:1](=[C:2]1[C:3]([H:10])=[C:4]([H:11])[C:5]([H:8])([H:12])[N:6]1[H:13])([H:7])[H:9],"InChI=1S/C5H7N/c1-5-3-2-4-6-5/h2-4,6H,1H3","InChI=1S/C5H7N/c1-5-3-2-4-6-5/h2-3,6H,1,4H2",84.5853,20.65164,Intra_ene_reaction
2702,[C:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[c:5]([H:12])[n:6]1[H:13])([H:7])([H:8])[H:9],[C:1]([C:2]1=[C-:3][C:4]([H:10])([H:11])[C+:5]([H:12])[N:6]1[H:13])([H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-5-3-2-4-6-5/h2-4,6H,1H3","InChI=1S/C5H7N/c1-5-3-2-4-6-5/h4,6H,2H2,1H3",79.17299,79.26082,
2703,[C:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[c:5]([H:12])[n:6]1[H:13])([H:7])([H:8])[H:9],[C:1](=[C:2]1[C:3]([H:8])([H:10])[C:4]([H:11])=[C:5]([H:12])[N:6]1[H:13])([H:7])[H:9],"InChI=1S/C5H7N/c1-5-3-2-4-6-5/h2-4,6H,1H3","InChI=1S/C5H7N/c1-5-3-2-4-6-5/h2,4,6H,1,3H2",81.78216,21.4331,
2704,[C:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[c:5]([H:12])[n:6]1[H:13])([H:7])([H:8])[H:9],[C:1]([C+:2]1[C:3]([H:10])=[C-:4][C:5]([H:11])([H:12])[N:6]1[H:13])([H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-5-3-2-4-6-5/h2-4,6H,1H3","InChI=1S/C5H7N/c1-5-3-2-4-6-5/h3,6H,4H2,1H3",70.73285,65.89106,Singlet_Carbene_Intra_Disproportionation
2705,[C:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[c:5]([H:12])[n:6]1[H:13])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:13])[C:3]([H:10])=[C:4]([H:11])[C:5]([H:12])=[N:6]1)([H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-5-3-2-4-6-5/h2-4,6H,1H3","InChI=1S/C5H7N/c1-5-3-2-4-6-5/h2-5H,1H3/t5-/m0/s1",43.85337,16.56329,
2706,[C:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[c:5]([H:12])[n:6]1[H:13])([H:7])([H:8])[H:9],[C:1]([C:2]1=[C:3]([H:10])[C:4]([H:11])=[C-:5][N+:6]1([H:12])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-5-3-2-4-6-5/h2-4,6H,1H3","InChI=1S/C5H7N/c1-5-3-2-4-6-5/h2-3H,6H2,1H3",85.17389,77.70241,
2707,[C:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[c:5]([H:12])[n:6]1[H:13])([H:7])([H:8])[H:9],[C:1](/[C:2]([C:3](=[C:4]=[C:5]([H:11])[H:12])[H:10])=[N:6]\[H:13])([H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-5-3-2-4-6-5/h2-4,6H,1H3","InChI=1S/C5H7N/c1-3-4-5(2)6/h4,6H,1H2,2H3/b6-5+",97.35893,37.740429999999996,
2708,[C:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[c:5]([H:12])[n:6]1[H:13])([H:7])([H:8])[H:9],[C:1](=[C:2]1[C:3]([H:10])=[C:4]([H:11])[C:5]([H:12])=[N:6]1)([H:7])[H:9].[H:8][H:13],"InChI=1S/C5H7N/c1-5-3-2-4-6-5/h2-4,6H,1H3","InChI=1S/C5H5N.H2/c1-5-3-2-4-6-5;/h2-4H,1H2;1H",79.32916999999999,40.44463,
2709,[C:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[c:5]([H:12])[n:6]1[H:13])([H:7])([H:8])[H:9],[C:1](=[C:2]1[C-:3]([H:10])[C:4]([H:8])([H:11])[C+:5]([H:12])[N:6]1[H:13])([H:7])[H:9],"InChI=1S/C5H7N/c1-5-3-2-4-6-5/h2-4,6H,1H3","InChI=1S/C5H7N/c1-5-3-2-4-6-5/h3-4,6H,1-2H2",84.58722,68.75415,
2710,[C:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[c:5]([H:12])[n:6]1[H:13])([H:7])([H:8])[H:9],[C:1]([C:2]1=[C:3]([H:10])[C:4]([H:11])([H:12])[C:5][N:6]1[H:13])([H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-5-3-2-4-6-5/h2-4,6H,1H3","InChI=1S/C5H7N/c1-5-3-2-4-6-5/h3,6H,2H2,1H3",61.057590000000005,54.87215,Singlet_Carbene_Intra_Disproportionation
2711,[C:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[c:5]([H:12])[n:6]1[H:13])([H:7])([H:8])[H:9],[C:1]([C@@:3]1([H:10])[C:2][N:6]([H:13])[C:5]([H:12])=[C:4]1[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-5-3-2-4-6-5/h2-4,6H,1H3","InChI=1S/C5H7N/c1-5-2-3-6-4-5/h2-3,5-6H,1H3/t5-/m1/s1",78.3583,60.01294,
2712,[C:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[c:5]([H:12])[n:6]1[H:13])([H:7])([H:8])[H:9],[C:1]([C+:2]1[C:3]([H:10])([H:11])[C-:4]=[C:5]([H:12])[N:6]1[H:13])([H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-5-3-2-4-6-5/h2-4,6H,1H3","InChI=1S/C5H7N/c1-5-3-2-4-6-5/h4,6H,3H2,1H3",78.8772,77.44896999999999,
2713,[C:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[c:5]([H:12])[n:6]1[H:13])([H:7])([H:8])[H:9],[C:1](/[C:2]([C:3]1([H:10])[C:4]([H:11])=[C:5]1[H:12])=[N:6]\[H:13])([H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-5-3-2-4-6-5/h2-4,6H,1H3","InChI=1S/C5H7N/c1-4(6)5-2-3-5/h2-3,5-6H,1H3/b6-4+",92.66224,60.38309,
2714,[C:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[c:5]([H:12])[n:6]1[H:13])([H:7])([H:8])[H:9],[C:1]([C:3](=[C:2]=[N:6][H:13])[H:10])([H:7])([H:8])[H:9].[C:4](#[C:5][H:12])[H:11],"InChI=1S/C5H7N/c1-5-3-2-4-6-5/h2-4,6H,1H3","InChI=1S/C3H5N.C2H2/c1-2-3-4;1-2/h2,4H,1H3;1-2H",135.35556,75.79209,
2715,[C:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[c:5]([H:12])[n:6]1[H:13])([H:7])([H:8])[H:9],[C+:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[c-:5][n:6]1[H:13])([H:7])[H:9].[H:8][H:12],"InChI=1S/C5H7N/c1-5-3-2-4-6-5/h2-4,6H,1H3","InChI=1S/C5H5N.H2/c1-5-3-2-4-6-5;/h2-3,6H,1H2;1H",121.03378000000001,82.66613000000001,
2716,[C:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[c:5]([H:12])[n:6]1[H:13])([H:7])([H:8])[H:9],[C:1]([C:2]1=[N:6][C:5]([H:12])=[C:4]([H:11])[C:3]1([H:10])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-5-3-2-4-6-5/h2-4,6H,1H3","InChI=1S/C5H7N/c1-5-3-2-4-6-5/h2,4H,3H2,1H3",43.81029,14.438479999999998,
2717,[C:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[c:5]([H:12])[n:6]1[H:13])([H:7])([H:8])[H:9],[C:1]([C:2]1=[C:3]([H:10])[C:4]([H:11])([H:13])[C:5]([H:12])=[N:6]1)([H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-5-3-2-4-6-5/h2-4,6H,1H3","InChI=1S/C5H7N/c1-5-3-2-4-6-5/h3-4H,2H2,1H3",43.10269,15.12416,
2718,[C:1]([O:2][C@@:3]([C:4]([H:11])([H:12])[H:13])([C:5]#[C:6][H:14])[H:10])([H:7])([H:8])[H:9],[C:1]([O:2][C:6](=[C:5]=[C:3]([C:4]([H:11])([H:12])[H:13])[H:10])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-4-5(2)6-3/h1,5H,2-3H3/t5-/m0/s1","InChI=1S/C5H8O/c1-3-4-5-6-2/h3,5H,1-2H3",55.705859999999994,-5.66576,
2719,[C:1]([O:2][C@@:3]([C:4]([H:11])([H:12])[H:13])([C:5]#[C:6][H:14])[H:10])([H:7])([H:8])[H:9],[C:1]([O:2][C@@:3]([C:4]([H:11])([H:12])[H:13])([C:6](=[C:5])[H:14])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-4-5(2)6-3/h1,5H,2-3H3/t5-/m0/s1","InChI=1S/C5H8O/c1-4-5(2)6-3/h4-5H,2-3H3/t5-/m0/s1",56.6473,48.09265,Singlet_Carbene_Intra_Disproportionation
2720,[C:1]([O:2][C@@:3]([C:4]([H:11])([H:12])[H:13])([C:5]#[C:6][H:14])[H:10])([H:7])([H:8])[H:9],[C:1]([O:2]/[C:3](=[C:5](/[C:4]([H:11])([H:12])[H:13])[C:6][H:14])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-4-5(2)6-3/h1,5H,2-3H3/t5-/m0/s1","InChI=1S/C5H8O/c1-5(2)4-6-3/h1,4H,2-3H3/b5-4+",64.37231,43.49643,
2721,[C:1]([O:2][C@@:3]([C:4]([H:11])([H:12])[H:13])([C:5]#[C:6][H:14])[H:10])([H:7])([H:8])[H:9],[C:1]([O:2]/[C:3]([C:4]([H:11])([H:12])[H:13])=[C:5](/[C:6][H:14])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-4-5(2)6-3/h1,5H,2-3H3/t5-/m0/s1","InChI=1S/C5H8O/c1-4-5(2)6-3/h1,4H,2-3H3/b5-4+",53.361619999999995,37.637809999999995,
2722,[C:1]([O:2][C@@:3]([C:4]([H:11])([H:12])[H:13])([C:5]#[C:6][H:14])[H:10])([H:7])([H:8])[H:9],[C:1](=[O:2])([H:7])[H:8].[C:3]([C:4]([H:11])([H:12])[H:13])(=[C:5]=[C:6]([H:9])[H:14])[H:10],"InChI=1S/C5H8O/c1-4-5(2)6-3/h1,5H,2-3H3/t5-/m0/s1","InChI=1S/C4H6.CH2O/c1-3-4-2;1-2/h4H,1H2,2H3;1H2",30.7009,-0.20849,Retroene
2723,[C:1]([O:2][C@@:3]([C:4]([H:11])([H:12])[H:13])([C:5]#[C:6][H:14])[H:10])([H:7])([H:8])[H:9],[C:1]([O:2][C@@:3]1([H:10])[C:4]([H:11])([H:12])[C@@:5]1([C:6][H:14])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-4-5(2)6-3/h1,5H,2-3H3/t5-/m0/s1","InChI=1S/C5H8O/c1-4-3-5(4)6-2/h1,4-5H,3H2,2H3/t4-,5-/m0/s1",85.13880999999999,61.12251,
2724,[C:1]([O:2][C@@:3]([C:4]([H:11])([H:12])[H:13])([C:5]#[C:6][H:14])[H:10])([H:7])([H:8])[H:9],[C:1]([O:2][C@@:3]1([H:10])[C:4]([H:11])([H:12])[C:6]([H:13])([H:14])[C:5]1)([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-4-5(2)6-3/h1,5H,2-3H3/t5-/m0/s1","InChI=1S/C5H8O/c1-6-5-3-2-4-5/h5H,2-3H2,1H3/t5-/m0/s1",92.54318,61.32414,
2725,[O:1]=[C:2]1[N:3]([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[N:6]1[H:12],[O:1]=[C:2]1[N:3]([H:7])[C:4]([H:8])([H:9])[C-:5]([H:10])[N+:6]1([H:11])[H:12],"InChI=1S/C3H6N2O/c6-3-4-1-2-5-3/h1-2H2,(H2,4,5,6)","InChI=1S/C3H6N2O/c6-3-4-1-2-5-3/h1H,2,4H2,(H,5,6)",83.48987,68.25669,
2726,[O:1]=[C:2]1[N:3]([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[N:6]1[H:12],[C:5](=[N:6][H:12])([H:10])[H:11].[N:3](=[C:4]([H:8])[H:9])[H:7].[O+:1]#[C-:2],"InChI=1S/C3H6N2O/c6-3-4-1-2-5-3/h1-2H2,(H2,4,5,6)","InChI=1S/2CH3N.CO/c3*1-2/h2*2H,1H2;",78.55495,55.39239,
2727,[O:1]=[C:2]1[N:3]([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[N:6]1[H:12],[N:3](=[C:4](/[C:5]([H:9])([H:10])[H:11])[H:8])\[H:7].[O:1]=[C:2]=[N:6][H:12],"InChI=1S/C3H6N2O/c6-3-4-1-2-5-3/h1-2H2,(H2,4,5,6)","InChI=1S/C2H5N.CHNO/c1-2-3;2-1-3/h2-3H,1H3;2H/b3-2+;",81.3976,18.05518,
2728,[O:1]=[C:2]1[N:3]([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[N:6]1[H:12],[O:1]=[C:2]=[N:6][C:5]([C:4]([N:3]([H:7])[H:12])([H:8])[H:9])([H:10])[H:11],"InChI=1S/C3H6N2O/c6-3-4-1-2-5-3/h1-2H2,(H2,4,5,6)","InChI=1S/C3H6N2O/c4-1-2-5-3-6/h1-2,4H2",74.06487,11.07592,
2729,[O:1]=[C:2]1[N:3]([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[N:6]1[H:12],[O:1]=[C:2]([N:6]([C:5](/[C:4](=[N:3]/[H:7])[H:8])([H:10])[H:11])[H:12])[H:9],"InChI=1S/C3H6N2O/c6-3-4-1-2-5-3/h1-2H2,(H2,4,5,6)","InChI=1S/C3H6N2O/c4-1-2-5-3-6/h1,3-4H,2H2,(H,5,6)/b4-1+",90.40216,18.85547,
2730,[O:1]=[C:2]1[N:3]([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[N:6]1[H:12],[O:1]([C:2]1=[N:3][C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[N:6]1[H:12])[H:7],"InChI=1S/C3H6N2O/c6-3-4-1-2-5-3/h1-2H2,(H2,4,5,6)","InChI=1S/C3H6N2O/c6-3-4-1-2-5-3/h1-2H2,(H2,4,5,6)",50.18926,14.44232,ketoenol
2731,[O:1]=[C:2]1[N:3]([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[N:6]1[H:12],[H:7][H:11].[O:1]=[C:2]=[N:3][C:4](/[C:5](=[N:6]/[H:12])[H:10])([H:8])[H:9],"InChI=1S/C3H6N2O/c6-3-4-1-2-5-3/h1-2H2,(H2,4,5,6)","InChI=1S/C3H4N2O.H2/c4-1-2-5-3-6;/h1,4H,2H2;1H/b4-1+;",70.75726999999999,33.69489,
2732,[O:1]=[C:2]1[N:3]([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[N:6]1[H:12],[O:1]([C+:2]1[N:3]([H:7])[C-:4]([H:8])[C:5]([H:10])([H:11])[N:6]1[H:12])[H:9],"InChI=1S/C3H6N2O/c6-3-4-1-2-5-3/h1-2H2,(H2,4,5,6)","InChI=1S/C3H6N2O/c6-3-4-1-2-5-3/h1,4-6H,2H2",108.79295,77.16906,
2733,[O:1]=[C:2]1[N:3]([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[N:6]1[H:12],[O:1]=[C:2]1[N+:3]([H:7])([H:10])[C:4]([H:8])([H:9])[C-:5]([H:11])[N:6]1[H:12],"InChI=1S/C3H6N2O/c6-3-4-1-2-5-3/h1-2H2,(H2,4,5,6)","InChI=1S/C3H5N2O/c6-3-4-1-2-5-3/h1H,2H2,(H2,4,5,6)/q-1/p+1",76.73218,73.97033,
2734,[O:1]=[C:2]1[N:3]([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[N:6]1[H:12],[O:1]([C@:2]12[N:3]([H:7])[C:4]([H:8])([H:9])[C@@:5]1([H:11])[N:6]2[H:12])[H:10],"InChI=1S/C3H6N2O/c6-3-4-1-2-5-3/h1-2H2,(H2,4,5,6)","InChI=1S/C3H6N2O/c6-3-2(5-3)1-4-3/h2,4-6H,1H2/t2-,3+/m1/s1",129.37006,66.56667,
2735,[O:1]=[C:2]1[N:3]([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[N:6]1[H:12],[O:1]=[C:2]([N:3]([C:4]([C:5]([H:10])([H:11])[H:12])([H:8])[H:9])[H:7])[N:6],"InChI=1S/C3H6N2O/c6-3-4-1-2-5-3/h1-2H2,(H2,4,5,6)","InChI=1S/C3H6N2O/c1-2-5-3(4)6/h2H2,1H3,(H,5,6)",78.78013,76.85736999999999,
2736,[O:1]=[C:2]1[N:3]([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[N:6]1[H:12],[C:4]1([H:8])([H:9])[C:5]([H:10])([H:11])[N:6]1[H:12].[O:1]=[C:2]=[N:3][H:7],"InChI=1S/C3H6N2O/c6-3-4-1-2-5-3/h1-2H2,(H2,4,5,6)","InChI=1S/C2H5N.CHNO/c1-2-3-1;2-1-3/h3H,1-2H2;2H",82.27922,40.416290000000004,
2737,[O:1]=[C:2]1[N:3]([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[N:6]1[H:12],[O:1]=[C:2]([N:3]([C:4]([H:8])([H:9])[H:11])[H:7])[N+:6](=[C-:5][H:10])[H:12],"InChI=1S/C3H6N2O/c6-3-4-1-2-5-3/h1-2H2,(H2,4,5,6)","InChI=1S/C3H6N2O/c1-4-3(6)5-2/h1,4H,2H3,(H,5,6)",77.28756,61.190690000000004,
2738,[O:1]=[C:2]1[N:3]([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[N:6]1[H:12],[H:10][H:11].[O:1]=[C:2]1[N:3]([H:7])[C:4]([H:8])([H:9])[C-:5]=[N+:6]1[H:12],"InChI=1S/C3H6N2O/c6-3-4-1-2-5-3/h1-2H2,(H2,4,5,6)","InChI=1S/C3H4N2O.H2/c6-3-4-1-2-5-3;/h5H,1H2,(H,4,6);1H",71.77991,57.88415,
2739,[O:1]=[C:2]1[N:3]([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[N:6]1[H:12],[H:10][H:12].[O:1]=[C:2]1[N:3]([H:7])[C:4]([H:8])([H:9])[C:5]([H:11])=[N:6]1,"InChI=1S/C3H6N2O/c6-3-4-1-2-5-3/h1-2H2,(H2,4,5,6)","InChI=1S/C3H4N2O.H2/c6-3-4-1-2-5-3;/h1H,2H2,(H,5,6);1H",96.49761,27.87145,
2740,[O:1]=[C:2]1[N:3]([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[N:6]1[H:12],[O:1]1[C:2]([N:6]([C:5]([C:4]([H:7])([H:8])[H:9])([H:10])[H:11])[H:12])=[N:3]1,"InChI=1S/C3H6N2O/c6-3-4-1-2-5-3/h1-2H2,(H2,4,5,6)","InChI=1S/C3H6N2O/c1-2-4-3-5-6-3/h2H2,1H3,(H,4,5)",78.81935,80.1465,
2741,[O:1]=[C:2]1[N:3]([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[N:6]1[H:12],[H:9][H:11].[O:1]=[c:2]1[n:3]([H:7])[c:4]([H:8])[c:5]([H:10])[n:6]1[H:12],"InChI=1S/C3H6N2O/c6-3-4-1-2-5-3/h1-2H2,(H2,4,5,6)","InChI=1S/C3H4N2O.H2/c6-3-4-1-2-5-3;/h1-2H,(H2,4,5,6);1H",94.19069,17.92849,
2742,[C:1]([C:2]#[C:3][C:4]#[C:5][H:9])([H:6])([H:7])[H:8],[C+:1]([C:2]#[C:3][C:4](=[C-:5][H:9])[H:8])([H:6])[H:7],"InChI=1S/C5H4/c1-3-5-4-2/h1H,2H3","InChI=1S/C5H4/c1-3-5-4-2/h1,3H,2H2",113.10786,58.39195,
2743,[C:1]([C:2]#[C:3][C:4]#[C:5][H:9])([H:6])([H:7])[H:8],[C:1](=[C:2]=[C:3]=[C:4]=[C:5]([H:8])[H:9])([H:6])[H:7],"InChI=1S/C5H4/c1-3-5-4-2/h1H,2H3",InChI=1S/C5H4/c1-3-5-4-2/h1-2H2,71.36246,-0.70332,Intra_ene_reaction
2744,[C:1]([C:2]#[C:3][C:4]#[C:5][H:9])([H:6])([H:7])[H:8],[C:1]([C:2]12[C:3]3=[C:4]1[C:5]23[H:9])([H:6])([H:7])[H:8],"InChI=1S/C5H4/c1-3-5-4-2/h1H,2H3","InChI=1S/C5H4/c1-5-2-3(5)4(2)5/h2H,1H3",90.38175,69.7471,
2745,[C:1]([C:2]#[C:3][C:4]#[C:5][H:9])([H:6])([H:7])[H:8],[C:1]([C:2](=[C+:3][C:4]#[C-:5])[H:9])([H:6])([H:7])[H:8],"InChI=1S/C5H4/c1-3-5-4-2/h1H,2H3","InChI=1S/C5H4/c1-3-5-4-2/h3H,1H3",100.7623,48.29769,
2746,[C:1]([C:2]#[C:3][C:4]#[C:5][H:9])([H:6])([H:7])[H:8],[C:1](=[C:2]([C-:3]=[C:4]=[C+:5][H:9])[H:8])([H:6])[H:7],"InChI=1S/C5H4/c1-3-5-4-2/h1H,2H3","InChI=1S/C5H4/c1-3-5-4-2/h1,4H,2H2",65.78726,51.1557,
2747,[C:1]([C:2]#[C:3][C:4]#[C:5][H:9])([H:6])([H:7])[H:8],[C:1]([C:3](=[C:2])[C:4]#[C:5][H:9])([H:6])([H:7])[H:8],"InChI=1S/C5H4/c1-3-5-4-2/h1H,2H3","InChI=1S/C5H4/c1-4-5(2)3/h1H,2H3",63.607130000000005,62.56946,
2748,[C:1]([C:2]1([C:3]([H:10])([H:11])[H:12])[C:4]([H:13])([H:14])[O:5][C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([C:4]([O+:5]=[C-:6][H:16])([H:13])[H:14])[H:15])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-5(2)3-6-4-5/h3-4H2,1-2H3","InChI=1S/C5H10O/c1-5(2)4-6-3/h3,5H,4H2,1-2H3",74.23626999999999,46.840920000000004,
2749,[C:1]([C:2]1([C:3]([H:10])([H:11])[H:12])[C:4]([H:13])([H:14])[O:5][C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([C:3]([H:10])([H:11])[H:12])([H:7])([H:8])[H:9].[C:2]1[C:4]([H:13])([H:14])[O:5][C:6]1([H:15])[H:16],"InChI=1S/C5H10O/c1-5(2)3-6-4-5/h3-4H2,1-2H3",InChI=1S/C3H4O.C2H6/c1-2-4-3-1;1-2/h2-3H2;1-2H3,141.6954,98.43930999999999,
2750,[C:1]([C:2]1([C:3]([H:10])([H:11])[H:12])[C:4]([H:13])([H:14])[O:5][C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])=[C:4]([H:13])[H:14])([H:7])([H:8])[H:9].[O:5]=[C:6]([H:15])[H:16],"InChI=1S/C5H10O/c1-5(2)3-6-4-5/h3-4H2,1-2H3","InChI=1S/C4H8.CH2O/c1-4(2)3;1-2/h1H2,2-3H3;1H2",57.05219,3.28179,2+2_cycloaddition
2751,[O:1]([C:2]1([H:6])[C:3]([H:7])([H:8])[C:4]1([H:9])[H:10])[H:5],[C:3]([H:7])[H:8].[O:1]([C:2](=[C:4]([H:9])[H:10])[H:6])[H:5],"InChI=1S/C3H6O/c4-3-1-2-3/h3-4H,1-2H2","InChI=1S/C2H4O.CH2/c1-2-3;/h2-3H,1H2;1H2",92.44155,104.74136999999999,1+2_Cycloaddition
2752,[O:1]([C:2]1([H:6])[C:3]([H:7])([H:8])[C:4]1([H:9])[H:10])[H:5],[O:1](/[C:2](=[C:4](\[C:3]([H:7])([H:8])[H:10])[H:9])[H:6])[H:5],"InChI=1S/C3H6O/c4-3-1-2-3/h3-4H,1-2H2","InChI=1S/C3H6O/c1-2-3-4/h2-4H,1H3/b3-2-",62.35351,-14.3339,
2753,[O:1]([C:2]1([H:6])[C:3]([H:7])([H:8])[C:4]1([H:9])[H:10])[H:5],[O:1]([C:2][C:4]([C:3]([H:6])([H:7])[H:8])([H:9])[H:10])[H:5],"InChI=1S/C3H6O/c4-3-1-2-3/h3-4H,1-2H2","InChI=1S/C3H6O/c1-2-3-4/h4H,2H2,1H3",51.26677,36.59015,
2754,[O:1]([C:2]1([H:6])[C:3]([H:7])([H:8])[C:4]1([H:9])[H:10])[H:5],[C:2]1([H:6])=[C:3]([H:7])[C:4]1([H:9])[H:10].[O:1]([H:5])[H:8],"InChI=1S/C3H6O/c4-3-1-2-3/h3-4H,1-2H2","InChI=1S/C3H4.H2O/c1-2-3-1;/h1-2H,3H2;1H2",73.03645999999999,36.154709999999994,
2755,[O:1]([C:2]1([H:6])[C:3]([H:7])([H:8])[C:4]1([H:9])[H:10])[H:5],[H:5][H:6].[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]1([H:9])[H:10],"InChI=1S/C3H6O/c4-3-1-2-3/h3-4H,1-2H2",InChI=1S/C3H4O.H2/c4-3-1-2-3;/h1-2H2;1H,85.81656,27.114690000000003,
2756,[O:1]([C:2]1([H:6])[C:3]([H:7])([H:8])[C:4]1([H:9])[H:10])[H:5],[O:1]([C:2]([C:3]([C:4][H:10])([H:7])[H:8])([H:6])[H:9])[H:5],"InChI=1S/C3H6O/c4-3-1-2-3/h3-4H,1-2H2","InChI=1S/C3H6O/c1-2-3-4/h1,4H,2-3H2",72.54241999999999,79.55702,
2757,[O:1]([C:2]1([H:6])[C:3]([H:7])([H:8])[C:4]1([H:9])[H:10])[H:5],[H:6][H:9].[O:1]([C:2]1=[C:4]([H:10])[C:3]1([H:7])[H:8])[H:5],"InChI=1S/C3H6O/c4-3-1-2-3/h3-4H,1-2H2","InChI=1S/C3H4O.H2/c4-3-1-2-3;/h1,4H,2H2;1H",113.54008,47.48697,
2758,[O:1]([C:2]1([H:6])[C:3]([H:7])([H:8])[C:4]1([H:9])[H:10])[H:5],[O:1]([C@:2]([C:3][H:7])([C:4]([H:8])([H:9])[H:10])[H:6])[H:5],"InChI=1S/C3H6O/c4-3-1-2-3/h3-4H,1-2H2","InChI=1S/C3H6O/c1-3(2)4/h1,3-4H,2H3/t3-/m1/s1",66.63419,73.30368,
2759,[O:1]([C:2]([C:3]#[C:4][H:9])([C:5]#[C:6][H:10])[H:8])[H:7],[O:1]([C:2](=[C:3]=[C:4]([H:8])[H:9])[C:5]#[C:6][H:10])[H:7],"InChI=1S/C5H4O/c1-3-5(6)4-2/h1-2,5-6H","InChI=1S/C5H4O/c1-3-5(6)4-2/h1,6H,2H2",70.7155,-15.01499,
2760,[O:1]([C:2]([C:3]#[C:4][H:9])([C:5]#[C:6][H:10])[H:8])[H:7],[O:1]([C:2]1([H:8])[C-:3]=[C:4]([H:9])[C:6]([H:10])=[C+:5]1)[H:7],"InChI=1S/C5H4O/c1-3-5(6)4-2/h1-2,5-6H","InChI=1S/C5H4O/c6-5-3-1-2-4-5/h1-2,5-6H",73.68453000000001,45.62135,
2761,[O:1]([C:2]([C:3]#[C:4][H:9])([C:5]#[C:6][H:10])[H:8])[H:7],[O:1]([C:6](=[C:5]=[C:2]([C:3]#[C:4][H:9])[H:8])[H:10])[H:7],"InChI=1S/C5H4O/c1-3-5(6)4-2/h1-2,5-6H","InChI=1S/C5H4O/c1-2-3-4-5-6/h1,3,5-6H",55.13641,-12.62707,
2762,[O:1]([C:2]([C:3]#[C:4][H:9])([C:5]#[C:6][H:10])[H:8])[H:7],[O:1]([C@@:2]([C:3]#[C:4][H:9])([C:6](=[C:5])[H:10])[H:8])[H:7],"InChI=1S/C5H4O/c1-3-5(6)4-2/h1-2,5-6H","InChI=1S/C5H4O/c1-3-5(6)4-2/h1,4-6H/t5-/m0/s1",52.800369999999994,49.29486,Singlet_Carbene_Intra_Disproportionation
2763,[O:1]([C:2]([C:3]#[C:4][H:9])([C:5]#[C:6][H:10])[H:8])[H:7],[O:1]([C:5]1=[C:6]([H:10])[C@@:2]1([C:3]#[C:4][H:9])[H:8])[H:7],"InChI=1S/C5H4O/c1-3-5(6)4-2/h1-2,5-6H","InChI=1S/C5H4O/c1-2-4-3-5(4)6/h1,3-4,6H/t4-/m0/s1",61.005790000000005,3.7772300000000003,
2764,[O:1]([C:2]([C:3]#[C:4][H:9])([C:5]#[C:6][H:10])[H:8])[H:7],[O:1]1[C@@:2]([C:5]#[C:6][H:10])([H:8])[C:3][C:4]1([H:7])[H:9],"InChI=1S/C5H4O/c1-3-5(6)4-2/h1-2,5-6H","InChI=1S/C5H4O/c1-2-5-3-4-6-5/h1,5H,4H2/t5-/m1/s1",87.06218,70.38426,
2765,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@@:4]2([H:13])[O:5][C@@:6]12[H:14])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@@:4]([C:6][H:14])([H:13])[O:5]1)([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-3-2-4-5(3)6-4/h3-5H,2H2,1H3/t3-,4+,5-/m0/s1","InChI=1S/C5H8O/c1-4-3-5(2)6-4/h1,4-5H,3H2,2H3/t4-,5-/m0/s1",91.274,67.65369,
2766,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@@:4]2([H:13])[O:5][C@@:6]12[H:14])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[O:5][C@@:6]1([C:4][H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-3-2-4-5(3)6-4/h3-5H,2H2,1H3/t3-,4+,5-/m0/s1","InChI=1S/C5H8O/c1-4-3-6-5(4)2/h2,4-5H,3H2,1H3/t4-,5+/m0/s1",96.62198000000001,71.19745,
2767,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@@:4]2([H:13])[O:5][C@@:6]12[H:14])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]([H:11])[H:12])[H:10])([H:7])([H:8])[H:9].[C:4]([O-:5])(=[C+:6][H:14])[H:13],"InChI=1S/C5H8O/c1-3-2-4-5(3)6-4/h3-5H,2H2,1H3/t3-,4+,5-/m0/s1","InChI=1S/C3H6.C2H2O/c1-3-2;1-2-3/h3H,1H2,2H3;1-2H",78.9062,63.88618,
2768,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@@:4]2([H:13])[O:5][C@@:6]12[H:14])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C-:4]=[O+:5][C:6]1([H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-3-2-4-5(3)6-4/h3-5H,2H2,1H3/t3-,4+,5-/m0/s1","InChI=1S/C5H8O/c1-5-2-3-6-4-5/h5H,2,4H2,1H3/t5-/m0/s1",58.27095,11.5379,
2769,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@@:4]2([H:13])[O:5][C@@:6]12[H:14])([H:7])([H:8])[H:9],[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C:3]([H:11])([H:12])[C@:4]([O:5][H:7])([H:13])[C@@:6]12[H:14],"InChI=1S/C5H8O/c1-3-2-4-5(3)6-4/h3-5H,2H2,1H3/t3-,4+,5-/m0/s1","InChI=1S/C5H8O/c6-5-2-3-1-4(3)5/h3-6H,1-2H2/t3-,4-,5+/m0/s1",63.04257,-6.619389999999999,
2770,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@@:4]2([H:13])[O:5][C@@:6]12[H:14])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([C@@:4]1([H:13])[O+:5]=[C-:6]1)([H:11])[H:12])([H:10])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-3-2-4-5(3)6-4/h3-5H,2H2,1H3/t3-,4+,5-/m0/s1","InChI=1S/C5H8O/c1-2-3-5-4-6-5/h5H,2-3H2,1H3/t5-/m1/s1",53.84689,29.76189,
2771,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@@:4]2([H:13])[O:5][C@@:6]12[H:14])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[O+:5]=[C-:6]1)([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-3-2-4-5(3)6-4/h3-5H,2H2,1H3/t3-,4+,5-/m0/s1","InChI=1S/C5H8O/c1-5-2-3-6-4-5/h5H,2-3H2,1H3/t5-/m0/s1",59.08311,11.784,
2772,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@@:4]2([H:13])[O:5][C@@:6]12[H:14])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@@:4]1([C:6](=[O:5])[H:14])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-3-2-4-5(3)6-4/h3-5H,2H2,1H3/t3-,4+,5-/m0/s1","InChI=1S/C5H8O/c1-4-2-5(4)3-6/h3-5H,2H2,1H3/t4-,5+/m0/s1",38.57723,-27.15868,
2773,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@@:4]2([H:13])[O:5][C@@:6]12[H:14])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4][C@:6]1([O:5][H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-3-2-4-5(3)6-4/h3-5H,2H2,1H3/t3-,4+,5-/m0/s1","InChI=1S/C5H8O/c1-4-2-3-5(4)6/h4-6H,2H2,1H3/t4-,5+/m0/s1",62.74804,62.61408,
2774,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@@:4]2([H:13])[O:5][C@@:6]12[H:14])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C-:4]([H:13])[O+:5]=[C:6]1[H:14])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-3-2-4-5(3)6-4/h3-5H,2H2,1H3/t3-,4+,5-/m0/s1","InChI=1S/C5H8O/c1-5-2-3-6-4-5/h3-5H,2H2,1H3/t5-/m0/s1",50.470079999999996,18.17835,
2775,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@@:4]2([H:13])[O:5][C@@:6]12[H:14])([H:7])([H:8])[H:9],[C:1](=[C:2]([C:3]([C@@:4]1([H:13])[O+:5]=[C-:6]1)([H:11])[H:12])[H:10])([H:8])[H:9].[H:7][H:14],"InChI=1S/C5H8O/c1-3-2-4-5(3)6-4/h3-5H,2H2,1H3/t3-,4+,5-/m0/s1","InChI=1S/C5H6O.H2/c1-2-3-5-4-6-5;/h2,5H,1,3H2;1H/t5-;/m1./s1",90.25088000000001,60.59313,
2776,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@@:4]2([H:13])[O:5][C@@:6]12[H:14])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]([O:5][H:14])([H:13])[C:6]1)([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-3-2-4-5(3)6-4/h3-5H,2H2,1H3/t3-,4+,5-/m0/s1","InChI=1S/C5H8O/c1-4-2-5(6)3-4/h4-6H,2H2,1H3/t4-,5+/m0/s1",62.487730000000006,62.21702,
2777,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@@:4]2([H:13])[O:5][C@@:6]12[H:14])([H:7])([H:8])[H:9],[C:1]([C:2]([C@@:6]1([H:14])[C@:4]([C:3][H:11])([H:13])[O:5]1)([H:10])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-3-2-4-5(3)6-4/h3-5H,2H2,1H3/t3-,4+,5-/m0/s1","InChI=1S/C5H8O/c1-3-5-4(2)6-5/h2,4-5H,3H2,1H3/t4-,5+/m1/s1",71.02353000000001,67.12905,
2778,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@@:4]2([H:13])[O:5][C@@:6]12[H:14])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]1([O+:5]=[C-:6][H:14])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-3-2-4-5(3)6-4/h3-5H,2H2,1H3/t3-,4+,5-/m0/s1","InChI=1S/C5H8O/c1-4-3-5(4)6-2/h2,4-5H,3H2,1H3/t4-,5+/m0/s1",74.27372,47.61755,
2779,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@@:4]2([H:13])[O:5][C@@:6]12[H:14])([H:7])([H:8])[H:9],[C:1](/[C:2](=[C:6](\[O:5][C:4](=[C:3]([H:11])[H:12])[H:13])[H:14])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-3-2-4-5(3)6-4/h3-5H,2H2,1H3/t3-,4+,5-/m0/s1","InChI=1S/C5H8O/c1-3-5-6-4-2/h3-5H,2H2,1H3/b5-3-",74.78027,-14.13706,
2780,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@@:4]2([H:13])[O:5][C@@:6]12[H:14])([H:7])([H:8])[H:9],[C:1]([C@:2]12[C:3]([H:11])([H:12])[C:4]([H:10])([H:13])[C@@:6]1([H:14])[O:5]2)([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-3-2-4-5(3)6-4/h3-5H,2H2,1H3/t3-,4+,5-/m0/s1","InChI=1S/C5H8O/c1-5-3-2-4(5)6-5/h4H,2-3H2,1H3/t4-,5+/m1/s1",86.00402,-3.6783900000000003,
2781,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@@:4]2([H:13])[O:5][C@@:6]12[H:14])([H:7])([H:8])[H:9],[C:1]([C:2][C@@:6]1([H:14])[C@:4]([C:3]([H:10])([H:11])[H:12])([H:13])[O:5]1)([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-3-2-4-5(3)6-4/h3-5H,2H2,1H3/t3-,4+,5-/m0/s1","InChI=1S/C5H8O/c1-3-5-4(2)6-5/h4-5H,1-2H3/t4-,5+/m1/s1",66.24356,57.20446999999999,
2782,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@@:4]2([H:13])[O:5][C@@:6]12[H:14])([H:7])([H:8])[H:9],[C-:1]([C@@:2]([C:3]([H:7])([H:11])[H:12])([C@@:6]1([H:14])[C:4]([H:13])=[O+:5]1)[H:10])([H:8])[H:9],"InChI=1S/C5H8O/c1-3-2-4-5(3)6-4/h3-5H,2H2,1H3/t3-,4+,5-/m0/s1","InChI=1S/C5H8O/c1-4(2)5-3-6-5/h3-5H,1H2,2H3/t4-,5+/m0/s1",105.59213999999999,64.34482,
2783,[C:1]([C:2]([C:3]([O:4][C:5](=[O:6])[H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]([H:12])[H:13])[H:11])([H:7])([H:8])[H:9].[O:4]=[C:5]([O:6][H:10])[H:14],"InChI=1S/C4H8O2/c1-2-3-6-4-5/h4H,2-3H2,1H3","InChI=1S/C3H6.CH2O2/c1-3-2;2-1-3/h3H,1H2,2H3;1H,(H,2,3)",39.60207,10.30743,Retroene
2784,[C:1]([C:2]([C:3]([O:4][C:5](=[O:6])[H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]([H:10])[H:11])([H:7])[H:8].[C:3](=[O:4])([H:12])[H:13].[C:5](=[O:6])([H:9])[H:14],"InChI=1S/C4H8O2/c1-2-3-6-4-5/h4H,2-3H2,1H3",InChI=1S/C2H4.2CH2O/c3*1-2/h1-2H2;2*1H2,75.66424,60.454640000000005,
2785,[C:1]([C:2]([C:3]([O:4][C:5](=[O:6])[H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C-:5]#[O+:6].[C:1]([C:2]([C:3]([O:4][H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-2-3-6-4-5/h4H,2-3H2,1H3","InChI=1S/C3H8O.CO/c1-2-3-4;1-2/h4H,2-3H2,1H3;",63.30862,12.499789999999999,"1,2_Insertion_CO"
2786,[C:1]([C:2]([C:3]([O:4][C:5](=[O:6])[H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([O+:4]=[C-:5][O:6][H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-2-3-6-4-5/h4H,2-3H2,1H3","InChI=1S/C4H8O2/c1-2-3-6-4-5/h5H,2-3H2,1H3",75.30572,44.15182,
2787,[C:1]([C:2]([C:3]([O:4][C:5](=[O:6])[H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C@:2]1([H:11])[C:3]([H:12])([H:13])[O:4][C@@:5]1([O:6][H:10])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-2-3-6-4-5/h4H,2-3H2,1H3","InChI=1S/C4H8O2/c1-3-2-6-4(3)5/h3-5H,2H2,1H3/t3-,4+/m1/s1",90.37556,23.34019,
2788,[C:1]([C:2]([C:3]([O:4][C:5](=[O:6])[H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:12].[C:2](=[C:3]([O:4][C:5](=[O:6])[H:14])[H:13])([H:10])[H:11],"InChI=1S/C4H8O2/c1-2-3-6-4-5/h4H,2-3H2,1H3","InChI=1S/C3H4O2.CH4/c1-2-5-3-4;/h2-3H,1H2;1H4",107.78708,16.7384,
2789,[C:1]([C:2]([C:3]([O:4][C:5](=[O:6])[H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C-:5]#[O+:6].[C:1]([C:2]([C:3](=[O:4])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9].[H:12][H:14],"InChI=1S/C4H8O2/c1-2-3-6-4-5/h4H,2-3H2,1H3","InChI=1S/C3H6O.CO.H2/c1-2-3-4;1-2;/h3H,2H2,1H3;;1H",59.72605,29.60735,
2790,[C:1]([C:2]([C:3]([O:4][C:5](=[O:6])[H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C-:3](=[O+:4][C:5](=[O:6])[H:14])[H:13].[C:1]([C:2]([H:10])([H:11])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-2-3-6-4-5/h4H,2-3H2,1H3",InChI=1S/C2H2O2.C2H6/c1-4-2-3;1-2/h1-2H;1-2H3,80.12637,84.22383,
2791,[O:1]=[C:2]([C:3]1([H:8])[C:4]([H:9])([H:10])[O:5][C:6]1([H:11])[H:12])[H:7],[O:1]([C:2](=[C:3]1[C:4]([H:9])([H:10])[O:5][C:6]1([H:11])[H:12])[H:7])[H:8],"InChI=1S/C4H6O2/c5-1-4-2-6-3-4/h1,4H,2-3H2","InChI=1S/C4H6O2/c5-1-4-2-6-3-4/h1,5H,2-3H2",64.61416,6.10858,ketoenol
2792,[O:1]=[C:2]([C:3]1([H:8])[C:4]([H:9])([H:10])[O:5][C:6]1([H:11])[H:12])[H:7],[O:1]=[C:2]([C@@:3]([C:4]([O:5][H:12])([H:9])[H:10])([C:6][H:11])[H:8])[H:7],"InChI=1S/C4H6O2/c5-1-4-2-6-3-4/h1,4H,2-3H2","InChI=1S/C4H6O2/c1-4(2-5)3-6/h1-2,4,6H,3H2/t4-/m0/s1",71.52383,69.8077,
2793,[O:1]=[C:2]([C:3]1([H:8])[C:4]([H:9])([H:10])[O:5][C:6]1([H:11])[H:12])[H:7],[O:1]=[C:2]([C:3]([C:6]([O+:5]=[C-:4][H:10])([H:11])[H:12])([H:8])[H:9])[H:7],"InChI=1S/C4H6O2/c5-1-4-2-6-3-4/h1,4H,2-3H2","InChI=1S/C4H6O2/c1-6-4-2-3-5/h1,3H,2,4H2",75.55994,47.141740000000006,
2794,[O:1]=[C:2]([C:3]1([H:8])[C:4]([H:9])([H:10])[O:5][C:6]1([H:11])[H:12])[H:7],[C:4](=[O:5])([H:9])[H:10].[O:1]=[C:2]([C:3](=[C:6]([H:11])[H:12])[H:8])[H:7],"InChI=1S/C4H6O2/c5-1-4-2-6-3-4/h1,4H,2-3H2","InChI=1S/C3H4O.CH2O/c1-2-3-4;1-2/h2-3H,1H2;1H2",35.24222,2.52173,2+2_cycloaddition
2795,[O:1]=[C:2]([C:3]1([H:8])[C:4]([H:9])([H:10])[O:5][C:6]1([H:11])[H:12])[H:7],[O:1](/[C:2](=[C:3](\[C@@:4]1([H:9])[O:5][C:6]1([H:11])[H:12])[H:8])[H:7])[H:10],"InChI=1S/C4H6O2/c5-1-4-2-6-3-4/h1,4H,2-3H2","InChI=1S/C4H6O2/c5-2-1-4-3-6-4/h1-2,4-5H,3H2/b2-1-/t4-/m1/s1",73.63105999999999,6.33517,
2796,[O:1]=[C:2]([C:3]1([H:8])[C:4]([H:9])([H:10])[O:5][C:6]1([H:11])[H:12])[H:7],[O:1]=[C:2]([C:3]([C:4]([O:5][H:8])([H:9])[H:10])=[C:6]([H:11])[H:12])[H:7],"InChI=1S/C4H6O2/c5-1-4-2-6-3-4/h1,4H,2-3H2","InChI=1S/C4H6O2/c1-4(2-5)3-6/h2,6H,1,3H2",69.13342,-18.70383,
2797,[O:1]=[C:2]([C:3]1([H:8])[C:4]([H:9])([H:10])[O:5][C:6]1([H:11])[H:12])[H:7],[H:8][H:9].[O:1]=[C:2]([C:3]1=[C:4]([H:10])[O:5][C:6]1([H:11])[H:12])[H:7],"InChI=1S/C4H6O2/c5-1-4-2-6-3-4/h1,4H,2-3H2","InChI=1S/C4H4O2.H2/c5-1-4-2-6-3-4;/h1-2H,3H2;1H",91.59418000000001,23.769820000000003,
2798,[O:1]=[C:2]([C:3]1([H:8])[C:4]([H:9])([H:10])[O:5][C:6]1([H:11])[H:12])[H:7],[C:3]1([H:8])([H:9])[C:4]([H:7])([H:10])[O:5][C:6]1([H:11])[H:12].[O+:1]#[C-:2],"InChI=1S/C4H6O2/c5-1-4-2-6-3-4/h1,4H,2-3H2",InChI=1S/C3H6O.CO/c1-2-4-3-1;1-2/h1-3H2;,104.12256,-1.03074,"1,2_Insertion_CO"
2799,[O:1]=[C:2]([C:3]1([H:8])[C:4]([H:9])([H:10])[O:5][C:6]1([H:11])[H:12])[H:7],[H:7][H:8].[O:1]=[C:2]=[C:3]1[C:4]([H:9])([H:10])[O:5][C:6]1([H:11])[H:12],"InChI=1S/C4H6O2/c5-1-4-2-6-3-4/h1,4H,2-3H2",InChI=1S/C4H4O2.H2/c5-1-4-2-6-3-4;/h2-3H2;1H,74.17744,29.438340000000004,
2800,[O:1]=[C:2]([C:3]1([H:8])[C:4]([H:9])([H:10])[O:5][C:6]1([H:11])[H:12])[H:7],[O:1]1[C@@:2]2([H:7])[C@@:3]([H:8])([C:4]([H:9])([H:10])[O:5]1)[C:6]2([H:11])[H:12],"InChI=1S/C4H6O2/c5-1-4-2-6-3-4/h1,4H,2-3H2","InChI=1S/C4H6O2/c1-3-2-5-6-4(1)3/h3-4H,1-2H2/t3-,4-/m1/s1",82.94301,51.60876,
2801,[O:1]=[C:2]([C:3]1([H:8])[C:4]([H:9])([H:10])[O:5][C:6]1([H:11])[H:12])[H:7],[O:1]=[C:2]([C:6]([C@@:3]1([H:8])[C:4]([H:9])([H:10])[O:5]1)([H:11])[H:12])[H:7],"InChI=1S/C4H6O2/c5-1-4-2-6-3-4/h1,4H,2-3H2","InChI=1S/C4H6O2/c5-2-1-4-3-6-4/h2,4H,1,3H2/t4-/m0/s1",90.88552,-0.47944,
2802,[O:1]=[C:2]([C:3]1([H:8])[C:4]([H:9])([H:10])[O:5][C:6]1([H:11])[H:12])[H:7],[H:11][H:12].[O:1]=[C:2]([C@@:3]1([H:8])[C:4]([H:9])([H:10])[O+:5]=[C-:6]1)[H:7],"InChI=1S/C4H6O2/c5-1-4-2-6-3-4/h1,4H,2-3H2","InChI=1S/C4H4O2.H2/c5-1-4-2-6-3-4;/h1,4H,2H2;1H/t4-;/m0./s1",73.00256999999999,69.67219,
2803,[O:1]=[C:2]([C:3]1([H:8])[C:4]([H:9])([H:10])[O:5][C:6]1([H:11])[H:12])[H:7],[O:1]([C:2][C:3]1([H:8])[C:4]([H:9])([H:10])[O:5][C:6]1([H:11])[H:12])[H:7],"InChI=1S/C4H6O2/c5-1-4-2-6-3-4/h1,4H,2-3H2","InChI=1S/C4H6O2/c5-1-4-2-6-3-4/h4-5H,2-3H2",80.31439,54.9448,
2804,[O:1]=[C:2]([C:3]1([H:8])[C:4]([H:9])([H:10])[O:5][C:6]1([H:11])[H:12])[H:7],[C:3]([C:4]([O:5][H:7])([H:9])[H:10])(=[C:6]([H:11])[H:12])[H:8].[O+:1]#[C-:2],"InChI=1S/C4H6O2/c5-1-4-2-6-3-4/h1,4H,2-3H2","InChI=1S/C3H6O.CO/c1-2-3-4;1-2/h2,4H,1,3H2;",79.50993000000001,-13.92293,
2805,[O:1]([C:2]([C:3]([C:4]#[C:5][H:11])([H:9])[H:10])([H:7])[H:8])[H:6],[C:3](=[C:4]=[C:5]([H:6])[H:11])([H:9])[H:10].[O:1]=[C:2]([H:7])[H:8],"InChI=1S/C4H6O/c1-2-3-4-5/h1,5H,3-4H2",InChI=1S/C3H4.CH2O/c1-3-2;1-2/h1-2H2;1H2,26.362679999999997,12.42648,Retroene
2806,[O:1]([C:2]([C:3]([C:4]#[C:5][H:11])([H:9])[H:10])([H:7])[H:8])[H:6],[O:1]1[C:2]([H:7])([H:8])[C:3]([H:9])([H:10])[C:4]1=[C:5]([H:6])[H:11],"InChI=1S/C4H6O/c1-2-3-4-5/h1,5H,3-4H2",InChI=1S/C4H6O/c1-4-2-3-5-4/h1-3H2,65.57005,-8.86023,
2807,[O:1]([C:2]([C:3]([C:4]#[C:5][H:11])([H:9])[H:10])([H:7])[H:8])[H:6],[O:1]([C:2]([C:3]([C:5](=[C:4])[H:11])([H:9])[H:10])([H:7])[H:8])[H:6],"InChI=1S/C4H6O/c1-2-3-4-5/h1,5H,3-4H2","InChI=1S/C4H6O/c1-2-3-4-5/h2,5H,3-4H2",55.622780000000006,47.83678,Singlet_Carbene_Intra_Disproportionation
2808,[O:1]([C:2]([C:3]([C:4]#[C:5][H:11])([H:9])[H:10])([H:7])[H:8])[H:6],[O:1]([C:2]([C:3](=[C:4]=[C:5]([H:9])[H:11])[H:10])([H:7])[H:8])[H:6],"InChI=1S/C4H6O/c1-2-3-4-5/h1,5H,3-4H2","InChI=1S/C4H6O/c1-2-3-4-5/h3,5H,1,4H2",70.88871999999999,-4.73595,
2809,[O:1]([C:2]([C:3]([C:4]#[C:5][H:11])([H:9])[H:10])([H:7])[H:8])[H:6],[O:1]([C:5](=[C:4]1[C:2]([H:7])([H:8])[C:3]1([H:9])[H:10])[H:11])[H:6],"InChI=1S/C4H6O/c1-2-3-4-5/h1,5H,3-4H2","InChI=1S/C4H6O/c5-3-4-1-2-4/h3,5H,1-2H2",63.108169999999994,-1.56588,
2810,[N:1]([c:2]1[c:3]([H:9])[c:4]([H:10])[c:5]([H:11])[o:6]1)([H:7])[H:8],[N:1]([C:2]([C:3](=[C:4]=[C:5]([H:10])[H:11])[H:9])=[O:6])([H:7])[H:8],"InChI=1S/C4H5NO/c5-4-2-1-3-6-4/h1-3H,5H2","InChI=1S/C4H5NO/c1-2-3-4(5)6/h3H,1H2,(H2,5,6)",63.81632,7.748010000000001,
2811,[N:1]([c:2]1[c:3]([H:9])[c:4]([H:10])[c:5]([H:11])[o:6]1)([H:7])[H:8],[N:1](=[C:2]=[C:3]([C:4](=[C:5]([O:6][H:7])[H:11])[H:10])[H:9])[H:8],"InChI=1S/C4H5NO/c5-4-2-1-3-6-4/h1-3H,5H2","InChI=1S/C4H5NO/c5-3-1-2-4-6/h1-2,4-6H",70.68175,19.3192,
2812,[N:1]([c:2]1[c:3]([H:9])[c:4]([H:10])[c:5]([H:11])[o:6]1)([H:7])[H:8],[N:1](=[C:2]1/[C:3]([H:7])([H:9])[C:4]([H:10])=[C:5]([H:11])[O:6]1)\[H:8],"InChI=1S/C4H5NO/c5-4-2-1-3-6-4/h1-3H,5H2","InChI=1S/C4H5NO/c5-4-2-1-3-6-4/h1,3,5H,2H2/b5-4-",68.14854,3.3438,
2813,[N:1]([c:2]1[c:3]([H:9])[c:4]([H:10])[c:5]([H:11])[o:6]1)([H:7])[H:8],[C:4](#[C:5][H:11])[H:10].[N:1]([C:2](=[C+:3][H:9])[O-:6])([H:7])[H:8],"InChI=1S/C4H5NO/c5-4-2-1-3-6-4/h1-3H,5H2","InChI=1S/C2H3NO.C2H2/c1-2(3)4;1-2/h1H,3H2;1-2H",108.66107,112.07751999999999,
2814,[N:1]([c:2]1[c:3]([H:9])[c:4]([H:10])[c:5]([H:11])[o:6]1)([H:7])[H:8],[N:1]([C:2](=[C:3])[O:6][C:5](=[C:4]([H:9])[H:10])[H:11])([H:7])[H:8],"InChI=1S/C4H5NO/c5-4-2-1-3-6-4/h1-3H,5H2","InChI=1S/C4H5NO/c1-3-6-4(2)5/h3H,1,5H2",95.81981999999999,101.92781,
2815,[N:1]([c:2]1[c:3]([H:9])[c:4]([H:10])[c:5]([H:11])[o:6]1)([H:7])[H:8],[N:1]([C@@:3]1([H:9])[C-:2]=[O+:6][C:5]([H:11])=[C:4]1[H:10])([H:7])[H:8],"InChI=1S/C4H5NO/c5-4-2-1-3-6-4/h1-3H,5H2","InChI=1S/C4H5NO/c5-4-1-2-6-3-4/h1-2,4H,5H2/t4-/m1/s1",79.72419000000001,68.41835,
2816,[N:1]([c:2]1[c:3]([H:9])[c:4]([H:10])[c:5]([H:11])[o:6]1)([H:7])[H:8],[N:1](=[C:2]([C:3](=[C:4](\[C:5](=[O:6])[H:11])[H:10])/[H:9])\[H:8])\[H:7],"InChI=1S/C4H5NO/c5-4-2-1-3-6-4/h1-3H,5H2","InChI=1S/C4H5NO/c5-3-1-2-4-6/h1-5H/b2-1-,5-3+",68.17368,12.68041,
2817,[N:1]([c:2]1[c:3]([H:9])[c:4]([H:10])[c:5]([H:11])[o:6]1)([H:7])[H:8],[N:1]([C:2]/[C:3](=[C:4](\[C:5](=[O:6])[H:11])[H:10])[H:9])([H:7])[H:8],"InChI=1S/C4H5NO/c5-4-2-1-3-6-4/h1-3H,5H2","InChI=1S/C4H5NO/c5-3-1-2-4-6/h1-2,4H,5H2/b2-1-",38.31325,43.78174,
2818,[N:1]([c:2]1[c:3]([H:9])[c:4]([H:10])[c:5]([H:11])[o:6]1)([H:7])[H:8],[N:1]([C:2]1=[C:3]([H:9])[C:4]([H:10])([H:11])[C-:5]=[O+:6]1)([H:7])[H:8],"InChI=1S/C4H5NO/c5-4-2-1-3-6-4/h1-3H,5H2","InChI=1S/C4H5NO/c5-4-2-1-3-6-4/h2H,1,5H2",60.913509999999995,55.940619999999996,Singlet_Carbene_Intra_Disproportionation
2819,[N:1]([c:2]1[c:3]([H:9])[c:4]([H:10])[c:5]([H:11])[o:6]1)([H:7])[H:8],[N:1]([C:2]([C:3]1([H:9])[C:4]([H:10])=[C:5]1[H:11])=[O:6])([H:7])[H:8],"InChI=1S/C4H5NO/c5-4-2-1-3-6-4/h1-3H,5H2","InChI=1S/C4H5NO/c5-4(6)3-1-2-3/h1-3H,(H2,5,6)",63.37014,29.44574,ketoenol
2820,[N:1]([c:2]1[c:3]([H:9])[c:4]([H:10])[c:5]([H:11])[o:6]1)([H:7])[H:8],[N:1](=[C:2]1\[C:3]([H:9])=[C:4]([H:10])[C:5]([H:7])([H:11])[O:6]1)\[H:8],"InChI=1S/C4H5NO/c5-4-2-1-3-6-4/h1-3H,5H2","InChI=1S/C4H5NO/c5-4-2-1-3-6-4/h1-2,5H,3H2/b5-4+",84.68508,3.96441,
2821,[N:1]([c:2]1[c:3]([H:9])[c:4]([H:10])[c:5]([H:11])[o:6]1)([H:7])[H:8],[N:1]([C:2]1=[O+:6][C-:5]=[C:4]([H:10])[C:3]1([H:9])[H:11])([H:7])[H:8],"InChI=1S/C4H5NO/c5-4-2-1-3-6-4/h1-3H,5H2","InChI=1S/C4H5NO/c5-4-2-1-3-6-4/h1H,2,5H2",84.37557,57.141459999999995,
2822,[N:1]([c:2]1[c:3]([H:9])[c:4]([H:10])[c:5]([H:11])[o:6]1)([H:7])[H:8],[N:1]([C:2]1=[C:3]([H:9])[C@:4]1([C:5](=[O:6])[H:11])[H:10])([H:7])[H:8],"InChI=1S/C4H5NO/c5-4-2-1-3-6-4/h1-3H,5H2","InChI=1S/C4H5NO/c5-4-1-3(4)2-6/h1-3H,5H2/t3-/m0/s1",54.934380000000004,42.12936,ketoenol
2823,[N:1]([c:2]1[c:3]([H:9])[c:4]([H:10])[c:5]([H:11])[o:6]1)([H:7])[H:8],[N+:1]([C:2]1=[C:3]=[C:4]([H:10])[C-:5]([H:11])[O:6]1)([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c5-4-2-1-3-6-4/h1-3H,5H2","InChI=1S/C4H4NO/c5-4-2-1-3-6-4/h1,3H,5H2/q-1/p+1",83.80369,81.07481,
2824,[N:1]([c:2]1[c:3]([H:9])[c:4]([H:10])[c:5]([H:11])[o:6]1)([H:7])[H:8],[N:1]([C@@:5]1([H:11])[C:4]([H:10])=[C:3]([H:9])[C-:2]=[O+:6]1)([H:7])[H:8],"InChI=1S/C4H5NO/c5-4-2-1-3-6-4/h1-3H,5H2","InChI=1S/C4H5NO/c5-4-2-1-3-6-4/h1-2,4H,5H2/t4-/m1/s1",111.03616000000001,56.290119999999995,
2825,[C:1]([N:2]([C:3](=[O:4])[C:5]([O:6][H:13])([H:11])[H:12])[H:10])([H:7])([H:8])[H:9],[C:1](=[N:2][H:10])([H:7])[H:8].[C:3](=[O:4])([C:5]([O:6][H:13])([H:11])[H:12])[H:9],"InChI=1S/C3H7NO2/c1-4-3(6)2-5/h5H,2H2,1H3,(H,4,6)","InChI=1S/C2H4O2.CH3N/c3-1-2-4;1-2/h1,4H,2H2;2H,1H2",83.31728000000001,41.56418,
2826,[C:1]([N:2]([C:3](=[O:4])[C:5]([O:6][H:13])([H:11])[H:12])[H:10])([H:7])([H:8])[H:9],[C:1](/[N:2]=[C:3]1\[O:4][C:5]1([H:11])[H:12])([H:7])([H:8])[H:9].[O:6]([H:10])[H:13],"InChI=1S/C3H7NO2/c1-4-3(6)2-5/h5H,2H2,1H3,(H,4,6)","InChI=1S/C3H5NO.H2O/c1-4-3-2-5-3;/h2H2,1H3;1H2/b4-3-;",52.20085,49.702420000000004,
2827,[C:1]([N:2]([C:3](=[O:4])[C:5]([O:6][H:13])([H:11])[H:12])[H:10])([H:7])([H:8])[H:9],[C:1]([N:2](/[C:3]([O:4][H:12])=[C:5](\[O:6][H:13])[H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C3H7NO2/c1-4-3(6)2-5/h5H,2H2,1H3,(H,4,6)","InChI=1S/C3H7NO2/c1-4-3(6)2-5/h2,4-6H,1H3/b3-2+",63.580040000000004,25.27,ketoenol
2828,[C:1]([N:2]([C:3](=[O:4])[C:5]([O:6][H:13])([H:11])[H:12])[H:10])([H:7])([H:8])[H:9],[C:1]([O:4]/[C:3](=[N:2]/[H:10])[C:5]([O:6][H:13])([H:11])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C3H7NO2/c1-4-3(6)2-5/h5H,2H2,1H3,(H,4,6)","InChI=1S/C3H7NO2/c1-6-3(4)2-5/h4-5H,2H2,1H3/b4-3+",64.75773000000001,16.615560000000002,ketoenol
2829,[C:1]([N:2]([C:3](=[O:4])[C:5]([O:6][H:13])([H:11])[H:12])[H:10])([H:7])([H:8])[H:9],[C:1]([N:2]([C-:3]=[O+:4][C:5]([O:6][H:13])([H:11])[H:12])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C3H7NO2/c1-4-3(6)2-5/h5H,2H2,1H3,(H,4,6)","InChI=1S/C3H7NO2/c1-4-2-6-3-5/h4-5H,3H2,1H3",87.62899,47.58543,
2830,[C:1]([N:2]([C:3](=[O:4])[C:5]([O:6][H:13])([H:11])[H:12])[H:10])([H:7])([H:8])[H:9],[C-:1]([N+:2]([C:3](=[O:4])[C:5]([O:6][H:13])([H:11])[H:12])([H:9])[H:10])([H:7])[H:8],"InChI=1S/C3H7NO2/c1-4-3(6)2-5/h5H,2H2,1H3,(H,4,6)","InChI=1S/C3H7NO2/c1-4-3(6)2-5/h5H,1-2,4H2",92.49835,74.29653,
2831,[C:1]([N:2]([C:3](=[O:4])[C:5]([O:6][H:13])([H:11])[H:12])[H:10])([H:7])([H:8])[H:9],[C:1]([N:2]([C@@:3]1([H:12])[O:4][C@@:5]1([O:6][H:13])[H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C3H7NO2/c1-4-3(6)2-5/h5H,2H2,1H3,(H,4,6)","InChI=1S/C3H7NO2/c1-4-2-3(5)6-2/h2-5H,1H3/t2-,3-/m0/s1",83.76729,38.59148,
2832,[C:1]([N:2]([C:3](=[O:4])[C:5]([O:6][H:13])([H:11])[H:12])[H:10])([H:7])([H:8])[H:9],[C:1]([N:2]=[C:3]=[O:4])([H:7])([H:8])[H:9].[C:5]([O:6][H:13])([H:10])([H:11])[H:12],"InChI=1S/C3H7NO2/c1-4-3(6)2-5/h5H,2H2,1H3,(H,4,6)","InChI=1S/C2H3NO.CH4O/c1-3-2-4;1-2/h1H3;2H,1H3",78.27212,16.014670000000002,
2833,[C:1]([N:2]([C:3](=[O:4])[C:5]([O:6][H:13])([H:11])[H:12])[H:10])([H:7])([H:8])[H:9],[C:1](/[N:2]=[C:3]1\[O:4][C@:5]1([O:6][H:13])[H:11])([H:7])([H:8])[H:9].[H:10][H:12],"InChI=1S/C3H7NO2/c1-4-3(6)2-5/h5H,2H2,1H3,(H,4,6)","InChI=1S/C3H5NO2.H2/c1-4-2-3(5)6-2;/h3,5H,1H3;1H/b4-2-;/t3-;/m1./s1",72.19094,57.74383,
2834,[C:1]([N:2]([C:3](=[O:4])[C:5]([O:6][H:13])([H:11])[H:12])[H:10])([H:7])([H:8])[H:9],[C:1](=[N:2][C:3](=[O:4])[C:5]([O:6][H:10])([H:11])[H:12])([H:7])[H:8].[H:9][H:13],"InChI=1S/C3H7NO2/c1-4-3(6)2-5/h5H,2H2,1H3,(H,4,6)","InChI=1S/C3H5NO2.H2/c1-4-3(6)2-5;/h5H,1-2H2;1H",75.23958,39.04275,
2835,[C:1]([N:2]([C:3](=[O:4])[C:5]([O:6][H:13])([H:11])[H:12])[H:10])([H:7])([H:8])[H:9],[C:1]([N+:2]([C:3]([O-:4])=[C:5]([O:6][H:13])[H:11])([H:10])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C3H7NO2/c1-4-3(6)2-5/h5H,2H2,1H3,(H,4,6)","InChI=1S/C3H7NO2/c1-4-3(6)2-5/h2,4-6H,1H3",74.93139000000001,38.02604,
2836,[C:1]([N:2]([C:3](=[O:4])[C:5]([O:6][H:13])([H:11])[H:12])[H:10])([H:7])([H:8])[H:9],[C:1]([N:2]([C:3](=[O:4])[C:5](=[O:6])[H:11])[H:10])([H:7])([H:8])[H:9].[H:12][H:13],"InChI=1S/C3H7NO2/c1-4-3(6)2-5/h5H,2H2,1H3,(H,4,6)","InChI=1S/C3H5NO2.H2/c1-4-3(6)2-5;/h2H,1H3,(H,4,6);1H",81.73279000000001,19.922,
2837,[C:1]([C:2](=[O:3])[C@@:4]1([H:10])[C:5]([H:11])([H:12])[N:6]1[H:13])([H:7])([H:8])[H:9],[C:1]([C:4](=[C:2]=[O:3])[H:10])([H:7])([H:8])[H:9].[C:5](=[N:6][H:13])([H:11])[H:12],"InChI=1S/C4H7NO/c1-3(6)4-2-5-4/h4-5H,2H2,1H3/t4-/m1/s1","InChI=1S/C3H4O.CH3N/c1-2-3-4;1-2/h2H,1H3;2H,1H2",67.78738,13.93316,
2838,[C:1]([C:2](=[O:3])[C@@:4]1([H:10])[C:5]([H:11])([H:12])[N:6]1[H:13])([H:7])([H:8])[H:9],[C-:2]#[O+:3].[C:1]([N:6]([C:4](=[C:5]([H:11])[H:12])[H:10])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-3(6)4-2-5-4/h4-5H,2H2,1H3/t4-/m1/s1","InChI=1S/C3H7N.CO/c1-3-4-2;1-2/h3-4H,1H2,2H3;",89.87512,-0.13433,
2839,[C:1]([C:2](=[O:3])[C@@:4]1([H:10])[C:5]([H:11])([H:12])[N:6]1[H:13])([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:10].[C:2](=[O:3])=[C:4]1[C:5]([H:11])([H:12])[N:6]1[H:13],"InChI=1S/C4H7NO/c1-3(6)4-2-5-4/h4-5H,2H2,1H3/t4-/m1/s1","InChI=1S/C3H3NO.CH4/c5-2-3-1-4-3;/h4H,1H2;1H4",86.56231,37.74136,
2840,[C:1]([C:2](=[O:3])[C@@:4]1([H:10])[C:5]([H:11])([H:12])[N:6]1[H:13])([H:7])([H:8])[H:9],[C:1]([C:2](=[O:3])[C:5](/[C:4](=[N:6]\[H:13])[H:10])([H:11])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-3(6)4-2-5-4/h4-5H,2H2,1H3/t4-/m1/s1","InChI=1S/C4H7NO/c1-4(6)2-3-5/h3,5H,2H2,1H3/b5-3-",74.06628,-13.93803,
2841,[C:1]([C:2](=[O:3])[C@@:4]1([H:10])[C:5]([H:11])([H:12])[N:6]1[H:13])([H:7])([H:8])[H:9],[C:1]([C:2](=[O:3])[N:6]([C:4](=[C:5]([H:11])[H:12])[H:10])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-3(6)4-2-5-4/h4-5H,2H2,1H3/t4-/m1/s1","InChI=1S/C4H7NO/c1-3-5-4(2)6/h3H,1H2,2H3,(H,5,6)",69.5809,-24.78429,
2842,[C:1]([C:2](=[O:3])[C@@:4]1([H:10])[C:5]([H:11])([H:12])[N:6]1[H:13])([H:7])([H:8])[H:9],[C:1](=[C:2]=[O:3])([H:8])[H:9].[C:4]1([H:10])=[N:6][C:5]1([H:11])[H:12].[H:7][H:13],"InChI=1S/C4H7NO/c1-3(6)4-2-5-4/h4-5H,2H2,1H3/t4-/m1/s1","InChI=1S/C2H3N.C2H2O.H2/c1-2-3-1;1-2-3;/h1H,2H2;1H2;1H",92.79160999999999,63.94001,
2843,[C:1]([C:2](=[O:3])[C@@:4]1([H:10])[C:5]([H:11])([H:12])[N:6]1[H:13])([H:7])([H:8])[H:9],[C:1](=[C:2]=[O:3])([H:8])[H:9].[C:4]1([H:7])([H:10])[C:5]([H:11])([H:12])[N:6]1[H:13],"InChI=1S/C4H7NO/c1-3(6)4-2-5-4/h4-5H,2H2,1H3/t4-/m1/s1","InChI=1S/C2H5N.C2H2O/c1-2-3-1;1-2-3/h3H,1-2H2;1H2",80.90211,29.249029999999998,
2844,[C:1]([C:2](=[O:3])[C@@:4]1([H:10])[C:5]([H:11])([H:12])[N:6]1[H:13])([H:7])([H:8])[H:9],[C:1]([C:2]([O-:3])=[C:4]([N:6]([C+:5]([H:11])[H:12])[H:13])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-3(6)4-2-5-4/h4-5H,2H2,1H3/t4-/m1/s1","InChI=1S/C4H7NO/c1-4(6)3-5-2/h3,5H,2H2,1H3",34.25928,4.9215,
2845,[C:1]([C:2](=[O:3])[C@@:4]1([H:10])[C:5]([H:11])([H:12])[N:6]1[H:13])([H:7])([H:8])[H:9],[C:1](/[C:2]([O:3][H:10])=[C:4]1/[C:5]([H:11])([H:12])[N:6]1[H:13])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-3(6)4-2-5-4/h4-5H,2H2,1H3/t4-/m1/s1","InChI=1S/C4H7NO/c1-3(6)4-2-5-4/h5-6H,2H2,1H3/b4-3+",66.72129,20.529870000000003,ketoenol
2846,[C:1]([C:2](=[O:3])[C@@:4]1([H:10])[C:5]([H:11])([H:12])[N:6]1[H:13])([H:7])([H:8])[H:9],[C:1]([C:2](=[O:3])[C:4]([N:6]([C:5][H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-3(6)4-2-5-4/h4-5H,2H2,1H3/t4-/m1/s1","InChI=1S/C4H7NO/c1-4(6)3-5-2/h2,5H,3H2,1H3",72.47027,36.489540000000005,
2847,[C:1]([C:2](=[O:3])[C@@:4]1([H:10])[C:5]([H:11])([H:12])[N:6]1[H:13])([H:7])([H:8])[H:9],[C:1]([C+:2]([O:3][H:12])[C@@:4]1([H:10])[C-:5]([H:11])[N:6]1[H:13])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-3(6)4-2-5-4/h4-5H,2H2,1H3/t4-/m1/s1","InChI=1S/C4H7NO/c1-3(6)4-2-5-4/h2,4-6H,1H3/t4-/m1/s1",95.80783000000001,63.77393000000001,
2848,[C:1]([C:2](=[O:3])[C@@:4]1([H:10])[C:5]([H:11])([H:12])[N:6]1[H:13])([H:7])([H:8])[H:9],[C:1]([C:2]([O-:3])=[C:4]1[C:5]([H:11])([H:12])[N+:6]1([H:10])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-3(6)4-2-5-4/h4-5H,2H2,1H3/t4-/m1/s1","InChI=1S/C4H7NO/c1-3(6)4-2-5-4/h5-6H,2H2,1H3",57.290119999999995,36.56373,
2849,[C:1]([C:2](=[O:3])[C@@:4]1([H:10])[C:5]([H:11])([H:12])[N:6]1[H:13])([H:7])([H:8])[H:9],[C:1]([C@:2]([O-:3])([C+:4]1[C:5]([H:11])([H:12])[N:6]1[H:13])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-3(6)4-2-5-4/h4-5H,2H2,1H3/t4-/m1/s1","InChI=1S/C4H7NO/c1-3(6)4-2-5-4/h3,5H,2H2,1H3/t3-/m0/s1",73.31881,74.71691,
2850,[C:1]([C:2](=[O:3])[C@@:4]1([H:10])[C:5]([H:11])([H:12])[N:6]1[H:13])([H:7])([H:8])[H:9],[C:1]([C:2](=[O:3])[C@@:4]1([H:10])[C-:5]([H:11])[N+:6]1([H:12])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-3(6)4-2-5-4/h4-5H,2H2,1H3/t4-/m1/s1","InChI=1S/C4H7NO/c1-3(6)4-2-5-4/h2,4H,5H2,1H3/t4-/m1/s1",63.724309999999996,50.8352,
2851,[C:1]([C:2](=[O:3])[C@@:4]1([H:10])[C:5]([H:11])([H:12])[N:6]1[H:13])([H:7])([H:8])[H:9],[C:1]([C:2]([O-:3])=[C+:4][N:6]([C:5]([H:10])([H:11])[H:12])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-3(6)4-2-5-4/h4-5H,2H2,1H3/t4-/m1/s1","InChI=1S/C4H7NO/c1-4(6)3-5-2/h5H,1-2H3",72.80729000000001,22.326220000000003,
2852,[C:1]([C:2](=[O:3])[C@@:4]1([H:10])[C:5]([H:11])([H:12])[N:6]1[H:13])([H:7])([H:8])[H:9],[C:1](/[C:2]([O:3][H:11])=[C:4]([C:5](=[N:6]\[H:13])/[H:12])\[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-3(6)4-2-5-4/h4-5H,2H2,1H3/t4-/m1/s1","InChI=1S/C4H7NO/c1-4(6)2-3-5/h2-3,5-6H,1H3/b4-2-,5-3-",52.0632,-11.95642,
2853,[C:1]([C:2](=[O:3])[C@@:4]1([H:10])[C:5]([H:11])([H:12])[N:6]1[H:13])([H:7])([H:8])[H:9],[C:1](=[C:2]=[O:3])([H:8])[H:9].[C:4](\[C:5]([H:7])([H:11])[H:12])(=[N:6]\[H:13])[H:10],"InChI=1S/C4H7NO/c1-3(6)4-2-5-4/h4-5H,2H2,1H3/t4-/m1/s1","InChI=1S/C2H5N.C2H2O/c2*1-2-3/h2-3H,1H3;1H2/b3-2-;",77.59076,6.82388,
2854,[C:1]([C:2](=[O:3])[C@@:4]1([H:10])[C:5]([H:11])([H:12])[N:6]1[H:13])([H:7])([H:8])[H:9],[C:1](=[C:2]([O:3][H:7])[C@@:4]1([H:10])[C:5]([H:11])([H:12])[N:6]1[H:13])([H:8])[H:9],"InChI=1S/C4H7NO/c1-3(6)4-2-5-4/h4-5H,2H2,1H3/t4-/m1/s1","InChI=1S/C4H7NO/c1-3(6)4-2-5-4/h4-6H,1-2H2/t4-/m1/s1",62.95941,11.5072,ketoenol
2855,[C:1]([C:2](=[O:3])[C@@:4]1([H:10])[C:5]([H:11])([H:12])[N:6]1[H:13])([H:7])([H:8])[H:9],[C:1]([C:2]([O:3][H:11])=[C:4]([N:6]([C:5][H:12])[H:13])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-3(6)4-2-5-4/h4-5H,2H2,1H3/t4-/m1/s1","InChI=1S/C4H7NO/c1-4(6)3-5-2/h2-3,5-6H,1H3",67.53854,41.69681,
2856,[C:1]([C:2](=[O:3])[C@@:4]1([H:10])[C:5]([H:11])([H:12])[N:6]1[H:13])([H:7])([H:8])[H:9],[C:1]([C:2]1=[C:4]([H:10])[C:5]([H:11])([H:12])[N:6]([H:13])[O:3]1)([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-3(6)4-2-5-4/h4-5H,2H2,1H3/t4-/m1/s1","InChI=1S/C4H7NO/c1-4-2-3-5-6-4/h2,5H,3H2,1H3",53.27406,27.937009999999997,ketoenol
2857,[C:1]([C:2](=[O:3])[C@@:4]1([H:10])[C:5]([H:11])([H:12])[N:6]1[H:13])([H:7])([H:8])[H:9],[C-:2]#[O+:3].[C:1]([C:5](/[C:4](=[N:6]\[H:13])[H:10])([H:11])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-3(6)4-2-5-4/h4-5H,2H2,1H3/t4-/m1/s1","InChI=1S/C3H7N.CO/c1-2-3-4;1-2/h3-4H,2H2,1H3;/b4-3-;",86.37248000000001,-9.16257,
2858,[C:1]([C:2](=[O:3])[C@@:4]1([H:10])[C:5]([H:11])([H:12])[N:6]1[H:13])([H:7])([H:8])[H:9],[C:1]([C@@:2]([O:3][H:13])([C@@:4]1([H:10])[C:5]([H:12])=[N:6]1)[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-3(6)4-2-5-4/h4-5H,2H2,1H3/t4-/m1/s1","InChI=1S/C4H7NO/c1-3(6)4-2-5-4/h2-4,6H,1H3/t3-,4-/m1/s1",74.6295,24.310570000000002,
2859,[C:1]([C:2](=[O:3])[C@@:4]1([H:10])[C:5]([H:11])([H:12])[N:6]1[H:13])([H:7])([H:8])[H:9],[C:1]([C:2]([O-:3])=[C+:4][H:10])([H:7])([H:8])[H:9].[C:5](=[N:6][H:13])([H:11])[H:12],"InChI=1S/C4H7NO/c1-3(6)4-2-5-4/h4-5H,2H2,1H3/t4-/m1/s1","InChI=1S/C3H4O.CH3N/c1-3(2)4;1-2/h1H,2H3;2H,1H2",75.05688,80.15234,
2860,[C:1]([C:2](=[O:3])[C@@:4]1([H:10])[C:5]([H:11])([H:12])[N:6]1[H:13])([H:7])([H:8])[H:9],[C:1](=[C:2]1[O:3][C@:4]12[C:5]([H:11])([H:12])[N:6]2[H:13])([H:8])[H:9].[H:7][H:10],"InChI=1S/C4H7NO/c1-3(6)4-2-5-4/h4-5H,2H2,1H3/t4-/m1/s1","InChI=1S/C4H5NO.H2/c1-3-4(6-3)2-5-4;/h5H,1-2H2;1H/t4-;/m1./s1",95.39303000000001,68.57408000000001,
2861,[N:1]([c:2]1=[n:3][c:4]([H:9])[n:5][o:6]1)([H:7])[H:8],[N:1]([C:2]([N:3]=[C:4]=[N:5][H:9])=[O:6])([H:7])[H:8],"InChI=1S/C2H3N3O/c3-2-4-1-5-6-2/h1H,(H2,3,4,5)","InChI=1S/C2H3N3O/c3-1-5-2(4)6/h3H,(H2,4,6)",38.49666,-29.34895,
2862,[N:1]([c:2]1=[n:3][c:4]([H:9])[n:5][o:6]1)([H:7])[H:8],[N:1]([C:2]([N:3]1[C:4]([H:9])=[N:5]1)=[O:6])([H:7])[H:8],"InChI=1S/C2H3N3O/c3-2-4-1-5-6-2/h1H,(H2,3,4,5)","InChI=1S/C2H3N3O/c3-2(6)5-1-4-5/h1H,(H2,3,6)",50.03033,37.125240000000005,ketoenol
2863,[N:1]([c:2]1=[n:3][c:4]([H:9])[n:5][o:6]1)([H:7])[H:8],[C:4](#[N+:5][O-:6])[H:9].[N:1]([C:2]#[N:3])([H:7])[H:8],"InChI=1S/C2H3N3O/c3-2-4-1-5-6-2/h1H,(H2,3,4,5)",InChI=1S/CH2N2.CHNO/c2-1-3;1-2-3/h2H2;1H,60.684090000000005,53.97724,
2864,[N:1]([c:2]1=[n:3][c:4]([H:9])[n:5][o:6]1)([H:7])[H:8],[N:1](=[C:2]=[N:3][C:4](=[N:5][O:6][H:7])[H:9])[H:8],"InChI=1S/C2H3N3O/c3-2-4-1-5-6-2/h1H,(H2,3,4,5)","InChI=1S/C2H3N3O/c3-1-4-2-5-6/h2-3,6H",69.39875,24.17438,
2865,[N:1]([c:2]1=[n:3][c:4]([H:9])[n:5][o:6]1)([H:7])[H:8],[N:1]([C:2]#[N+:3][C:4](=[N:5][O-:6])[H:9])([H:7])[H:8],"InChI=1S/C2H3N3O/c3-2-4-1-5-6-2/h1H,(H2,3,4,5)","InChI=1S/C2H3N3O/c3-1-4-2-5-6/h2-3,6H",76.51657,61.8875,
2866,[N:1]([c:2]1=[n:3][c:4]([H:9])[n:5][o:6]1)([H:7])[H:8],[N:1](=[c:2]1/[n:3]([H:8])[c:4]([H:9])[n:5][o:6]1)\[H:7],"InChI=1S/C2H3N3O/c3-2-4-1-5-6-2/h1H,(H2,3,4,5)","InChI=1S/C2H3N3O/c3-2-4-1-5-6-2/h1H,(H2,3,4,5)",53.728269999999995,10.04062,
2867,[N:1]([c:2]1=[n:3][c:4]([H:9])[n:5][o:6]1)([H:7])[H:8],[N:1](=[c:2]1\[n:3][c:4]([H:9])[n:5]([H:8])[o:6]1)\[H:7],"InChI=1S/C2H3N3O/c3-2-4-1-5-6-2/h1H,(H2,3,4,5)","InChI=1S/C2H3N3O/c3-2-4-1-5-6-2/h1H,(H2,3,4,5)",102.73978000000001,22.32187,
2868,[N:1]([c:2]1=[n:3][c:4]([H:9])[n:5][o:6]1)([H:7])[H:8],[H:7][H:8].[N:1]#[C:2]/[N:3]=[C:4](\[N:5]=[O:6])[H:9],"InChI=1S/C2H3N3O/c3-2-4-1-5-6-2/h1H,(H2,3,4,5)",InChI=1S/C2HN3O.H2/c3-1-4-2-5-6;/h2H;1H/b4-2-;,100.19695,81.64855,
2869,[C:1](#[C:2][C@@:3]1([H:7])[C:4]([H:8])([H:9])[N:5]1[H:10])[H:6],[C:1]1([H:6])=[C:2]=[C:3]([H:7])[N:5]([H:10])[C:4]1([H:8])[H:9],"InChI=1S/C4H5N/c1-2-4-3-5-4/h1,4-5H,3H2/t4-/m0/s1","InChI=1S/C4H5N/c1-2-4-5-3-1/h1,4-5H,3H2",68.93296,4.40826,
2870,[C:1](#[C:2][C@@:3]1([H:7])[C:4]([H:8])([H:9])[N:5]1[H:10])[H:6],[C:1](=[C:2])([C@@:3]1([H:7])[C:4]([H:8])([H:9])[N:5]1[H:10])[H:6],"InChI=1S/C4H5N/c1-2-4-3-5-4/h1,4-5H,3H2/t4-/m0/s1","InChI=1S/C4H5N/c1-2-4-3-5-4/h2,4-5H,3H2/t4-/m0/s1",57.54348,50.78139,Singlet_Carbene_Intra_Disproportionation
2871,[C:1](#[C:2][C@@:3]1([H:7])[C:4]([H:8])([H:9])[N:5]1[H:10])[H:6],[C:1](=[C-:2][C@@:3]1([H:7])[C+:4]([H:8])[N:5]1[H:10])([H:6])[H:9],"InChI=1S/C4H5N/c1-2-4-3-5-4/h1,4-5H,3H2/t4-/m0/s1","InChI=1S/C4H5N/c1-2-4-3-5-4/h3-5H,1H2/t4-/m0/s1",107.53378000000001,50.005759999999995,
2872,[C:1](#[C:2][C@@:3]1([H:7])[C:4]([H:8])([H:9])[N:5]1[H:10])[H:6],[C+:1](=[C:2]=[C-:3][C:4]([N:5]([H:7])[H:10])([H:8])[H:9])[H:6],"InChI=1S/C4H5N/c1-2-4-3-5-4/h1,4-5H,3H2/t4-/m0/s1","InChI=1S/C4H5N/c1-2-3-4-5/h1H,4-5H2",54.08602,46.33736,
2873,[C:1](#[C:2][C@@:3]1([H:7])[C:4]([H:8])([H:9])[N:5]1[H:10])[H:6],[C:1](/[C:2](=[C:3]1/[C:4]([H:8])([H:9])[N:5]1[H:10])[H:7])[H:6],"InChI=1S/C4H5N/c1-2-4-3-5-4/h1,4-5H,3H2/t4-/m0/s1","InChI=1S/C4H5N/c1-2-4-3-5-4/h1-2,5H,3H2/b4-2-",70.70631,56.69268,
2874,[C:1](#[C:2][C@@:3]1([H:7])[C:4]([H:8])([H:9])[N:5]1[H:10])[H:6],[C+:1](=[C:2]=[C-:3][N:5]([C:4]([H:7])([H:8])[H:9])[H:10])[H:6],"InChI=1S/C4H5N/c1-2-4-3-5-4/h1,4-5H,3H2/t4-/m0/s1","InChI=1S/C4H5N/c1-3-4-5-2/h1,5H,2H3",66.94445,18.52842,
2875,[C:1](#[C:2][C@@:3]1([H:7])[C:4]([H:8])([H:9])[N:5]1[H:10])[H:6],[C:1](#[C:2][C@@:3]1([H:7])[C-:4]([H:8])[N+:5]1([H:9])[H:10])[H:6],"InChI=1S/C4H5N/c1-2-4-3-5-4/h1,4-5H,3H2/t4-/m0/s1","InChI=1S/C4H5N/c1-2-4-3-5-4/h1,3-4H,5H2/t4-/m0/s1",64.30792,53.63521,
2876,[C:1](#[C:2][C@@:3]1([H:7])[C:4]([H:8])([H:9])[N:5]1[H:10])[H:6],[C:1](#[C:2][C:3]([N:5]([C:4][H:9])[H:10])([H:7])[H:8])[H:6],"InChI=1S/C4H5N/c1-2-4-3-5-4/h1,4-5H,3H2/t4-/m0/s1","InChI=1S/C4H5N/c1-3-4-5-2/h1-2,5H,4H2",73.24254,34.31423,
2877,[C:1](#[C:2][C@@:3]1([H:7])[C:4]([H:8])([H:9])[N:5]1[H:10])[H:6],[C+:1](=[C:2]=[C:3]([N:5]([C-:4]([H:8])[H:9])[H:10])[H:7])[H:6],"InChI=1S/C4H5N/c1-2-4-3-5-4/h1,4-5H,3H2/t4-/m0/s1","InChI=1S/C4H5N/c1-3-4-5-2/h1,4-5H,2H2",35.90126,11.36405,
2878,[C:1](#[C:2][C@@:3]1([H:7])[C:4]([H:8])([H:9])[N:5]1[H:10])[H:6],[C:1](=[C:2]=[C:3]1[C:4]([H:8])([H:9])[N:5]1[H:10])([H:6])[H:7],"InChI=1S/C4H5N/c1-2-4-3-5-4/h1,4-5H,3H2/t4-/m0/s1","InChI=1S/C4H5N/c1-2-4-3-5-4/h5H,1,3H2",84.29689,1.3896,
2879,[C:1]([O:2][C:3]([C:4]([C:5]([H:13])([H:14])[H:15])([C:6]([H:16])([H:17])[H:18])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:17].[C:4]([C:5]([H:13])([H:14])[H:15])(=[C:6]([H:16])[H:18])[H:12].[O:2]=[C:3]([H:10])[H:11],"InChI=1S/C5H12O/c1-5(2)4-6-3/h5H,4H2,1-3H3","InChI=1S/C3H6.CH2O.CH4/c1-3-2;1-2;/h3H,1H2,2H3;1H2;1H4",77.10146999999999,23.28874,
2880,[C:1]([O:2][C:3]([C:4]([C:5]([H:13])([H:14])[H:15])([C:6]([H:16])([H:17])[H:18])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:2][C@@:4]([C:3]([C:6]([H:16])([H:17])[H:18])([H:10])[H:11])([C:5]([H:13])([H:14])[H:15])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C5H12O/c1-5(2)4-6-3/h5H,4H2,1-3H3","InChI=1S/C5H12O/c1-4-5(2)6-3/h5H,4H2,1-3H3/t5-/m1/s1",87.17434,-0.6554,
2881,[C:1]([O:2][C:3]([C:4]([C:5]([H:13])([H:14])[H:15])([C:6]([H:16])([H:17])[H:18])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O+:2]=[C-:3][H:11])([H:7])([H:8])[H:9].[C:4]([C:5]([H:13])([H:14])[H:15])([C:6]([H:16])([H:17])[H:18])([H:10])[H:12],"InChI=1S/C5H12O/c1-5(2)4-6-3/h5H,4H2,1-3H3","InChI=1S/C3H8.C2H4O/c2*1-3-2/h3H2,1-2H3;1H,2H3",70.84261,68.75679000000001,
2882,[C:1]([O:2][C:3]([C:4]([C:5]([H:13])([H:14])[H:15])([C:6]([H:16])([H:17])[H:18])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](=[O:2])([H:8])[H:9].[C:3](=[C:4]([C:5]([H:13])([H:14])[H:15])[C:6]([H:16])([H:17])[H:18])([H:10])[H:11].[H:7][H:12],"InChI=1S/C5H12O/c1-5(2)4-6-3/h5H,4H2,1-3H3","InChI=1S/C4H8.CH2O.H2/c1-4(2)3;1-2;/h1H2,2-3H3;1H2;1H",59.40416999999999,33.28631,
2883,[C:1]([O:2][C:3]([C:4]([C:5]([H:13])([H:14])[H:15])([C:6]([H:16])([H:17])[H:18])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C-:1]([O+:2]=[C:3]([C:4]([C:5]([H:13])([H:14])[H:15])([C:6]([H:16])([H:17])[H:18])[H:12])[H:11])([H:8])[H:9].[H:7][H:10],"InChI=1S/C5H12O/c1-5(2)4-6-3/h5H,4H2,1-3H3","InChI=1S/C5H10O.H2/c1-5(2)4-6-3;/h4-5H,3H2,1-2H3;1H",67.21502,72.89576,
2884,[C:1]([O:2][C:3]([C:4]([C:5]([H:13])([H:14])[H:15])([C:6]([H:16])([H:17])[H:18])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:2][C:3]([C:4][C:6]([H:16])([H:17])[H:18])([H:10])[H:11])([H:7])([H:8])[H:9].[C:5]([H:12])([H:13])([H:14])[H:15],"InChI=1S/C5H12O/c1-5(2)4-6-3/h5H,4H2,1-3H3","InChI=1S/C4H8O.CH4/c1-3-4-5-2;/h4H2,1-2H3;1H4",84.33314,91.09494000000001,
2885,[C:1]([C:2]([C:3]([C:4]([O:5][H:15])([H:13])[H:14])([H:11])[H:12])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([C:2]([C:3](=[C:4]([H:13])[H:14])[H:12])([H:9])[H:10])([H:6])([H:7])[H:8].[O:5]([H:11])[H:15],"InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3","InChI=1S/C4H8.H2O/c1-3-4-2;/h3H,1,4H2,2H3;1H2",60.275569999999995,9.518839999999999,"1,3_Insertion_ROR"
2886,[C:1]([C:2]([C:3]([C:4]([O:5][H:15])([H:13])[H:14])([H:11])[H:12])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([H:6])([H:7])([H:8])[H:11].[C:2](=[C:3]([C:4]([O:5][H:15])([H:13])[H:14])[H:12])([H:9])[H:10],"InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3","InChI=1S/C3H6O.CH4/c1-2-3-4;/h2,4H,1,3H2;1H4",91.99428,18.57195,
2887,[C:1]([C:2]([C:3]([C:4]([O:5][H:15])([H:13])[H:14])([H:11])[H:12])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1](=[C:2]([C:3]([C:4]([O:5][H:15])([H:13])[H:14])([H:11])[H:12])[H:10])([H:6])[H:7].[H:8][H:9],"InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3","InChI=1S/C4H8O.H2/c1-2-3-4-5;/h2,5H,1,3-4H2;1H",107.62552,30.64157,
2888,[C:1]([C:2]([C:3]([C:4]([O:5][H:15])([H:13])[H:14])([H:11])[H:12])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([C:2]([C:3]([C:4](=[O:5])[H:13])([H:12])[H:14])([H:9])[H:10])([H:6])([H:7])[H:8].[H:11][H:15],"InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3","InChI=1S/C4H8O.H2/c1-2-3-4-5;/h4H,2-3H2,1H3;1H",76.06571,16.69182,
2889,[C:1]([C:2]([C:3]([C:4]([O:5][H:15])([H:13])[H:14])([H:11])[H:12])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([C:2]([C:3]([H:11])([H:12])[H:14])([H:9])[H:10])([H:6])([H:7])[H:8].[C:4]([O:5][H:15])[H:13],"InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3","InChI=1S/C3H8.CH2O/c1-3-2;1-2/h3H2,1-2H3;1-2H",72.48255999999999,69.68883000000001,
2890,[C:1]([C:2]#[C:3][C@@:4]([C:5]([H:11])([H:12])[H:13])([O:6][H:14])[H:10])([H:7])([H:8])[H:9],[C:1](=[C:2]=[C:3]=[C:4]([O:6][H:14])[H:10])([H:7])[H:9].[C:5]([H:8])([H:11])([H:12])[H:13],"InChI=1S/C5H8O/c1-3-4-5(2)6/h5-6H,1-2H3/t5-/m1/s1","InChI=1S/C4H4O.CH4/c1-2-3-4-5;/h4-5H,1H2;1H4",77.24215,13.903129999999999,
2891,[C:1]([C:2]#[C:3][C@@:4]([C:5]([H:11])([H:12])[H:13])([O:6][H:14])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2]1=[C:3]([O:6][H:14])[C@@:4]1([C:5]([H:11])([H:12])[H:13])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-3-4-5(2)6/h5-6H,1-2H3/t5-/m1/s1","InChI=1S/C5H8O/c1-3-4(2)5(3)6/h3,6H,1-2H3/t3-/m1/s1",69.16629,11.37735,
2892,[C:1]([C:2]#[C:3][C@@:4]([C:5]([H:11])([H:12])[H:13])([O:6][H:14])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]=[C:4]([C:5]([H:11])([H:12])[H:13])[H:10])[O:6][H:14])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-3-4-5(2)6/h5-6H,1-2H3/t5-/m1/s1","InChI=1S/C5H8O/c1-3-4-5(2)6/h3,6H,1-2H3",56.13671,-4.76233,
2893,[C:1]([C:2]#[C:3][C@@:4]([C:5]([H:11])([H:12])[H:13])([O:6][H:14])[H:10])([H:7])([H:8])[H:9],[C+:1]([C:2](=[C-:3][C@@:4]([C:5]([H:11])([H:12])[H:13])([O:6][H:14])[H:10])[H:8])([H:7])[H:9],"InChI=1S/C5H8O/c1-3-4-5(2)6/h5-6H,1-2H3/t5-/m1/s1","InChI=1S/C5H8O/c1-3-4-5(2)6/h3,5-6H,1H2,2H3/t5-/m1/s1",68.62796,56.99984,
2894,[C:1]([C:2]#[C:3][C@@:4]([C:5]([H:11])([H:12])[H:13])([O:6][H:14])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3])[C@@:4]([C:5]([H:11])([H:12])[H:13])([O:6][H:14])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-3-4-5(2)6/h5-6H,1-2H3/t5-/m1/s1","InChI=1S/C5H8O/c1-4(2)5(3)6/h5-6H,1,3H3/t5-/m1/s1",53.999190000000006,51.47232,
2895,[C:1]([C:2]#[C:3][C@@:4]([C:5]([H:11])([H:12])[H:13])([O:6][H:14])[H:10])([H:7])([H:8])[H:9],[C:1](=[C:2]=[C:3]([C@@:4]([C:5]([H:11])([H:12])[H:13])([O:6][H:14])[H:10])[H:8])([H:7])[H:9],"InChI=1S/C5H8O/c1-3-4-5(2)6/h5-6H,1-2H3/t5-/m1/s1","InChI=1S/C5H8O/c1-3-4-5(2)6/h4-6H,1H2,2H3/t5-/m1/s1",71.38832,-2.32796,
2896,[C:1]([C:2]#[C:3][C@@:4]([C:5]([H:11])([H:12])[H:13])([O:6][H:14])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2]#[C:3][C:4]([C:5]([H:11])([H:12])[H:13])=[O:6])([H:7])([H:8])[H:9].[H:10][H:14],"InChI=1S/C5H8O/c1-3-4-5(2)6/h5-6H,1-2H3/t5-/m1/s1",InChI=1S/C5H6O.H2/c1-3-4-5(2)6;/h1-2H3;1H,77.9302,12.73296,
2897,[C:1]([C:2]#[C:3][C@@:4]([C:5]([H:11])([H:12])[H:13])([O:6][H:14])[H:10])([H:7])([H:8])[H:9],[C:1](=[C:2]=[C:3]=[C:4]([C:5]([H:11])([H:12])[H:13])[H:10])([H:7])[H:9].[O:6]([H:8])[H:14],"InChI=1S/C5H8O/c1-3-4-5(2)6/h5-6H,1-2H3/t5-/m1/s1","InChI=1S/C5H6.H2O/c1-3-5-4-2;/h4H,1H2,2H3;1H2",58.3038,13.2303,
2898,[C:1]([C:2]#[C:3][C@@:4]([C:5]([H:11])([H:12])[H:13])([O:6][H:14])[H:10])([H:7])([H:8])[H:9],[C:1](=[C:2]=[C:3]1[C@:4]([C:5]([H:11])([H:12])[H:13])([H:10])[O:6]1)([H:7])[H:9].[H:8][H:14],"InChI=1S/C5H8O/c1-3-4-5(2)6/h5-6H,1-2H3/t5-/m1/s1","InChI=1S/C5H6O.H2/c1-3-5-4(2)6-5;/h4H,1H2,2H3;1H/t4-;/m1./s1",81.95885,44.69934,
2899,[C:1]([C:2]#[C:3][C@@:4]([C:5]([H:11])([H:12])[H:13])([O:6][H:14])[H:10])([H:7])([H:8])[H:9],[C:1](/[C:2](=[C:3]1\[C@@:4]([O:6][H:14])([H:10])[C:5]1([H:11])[H:12])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-3-4-5(2)6/h5-6H,1-2H3/t5-/m1/s1","InChI=1S/C5H8O/c1-2-4-3-5(4)6/h2,5-6H,3H2,1H3/b4-2-/t5-/m1/s1",98.35531999999999,5.5342400000000005,
2900,[O:1]([C:2]([C:3](=[O:4])[C:5]#[C:6][H:10])([H:8])[H:9])[H:7],[C:3](=[O:4])=[C:5]=[C:6]([H:7])[H:10].[O:1]=[C:2]([H:8])[H:9],"InChI=1S/C4H4O2/c1-2-4(6)3-5/h1,5H,3H2",InChI=1S/C3H2O.CH2O/c1-2-3-4;1-2/h1H2;1H2,24.75434,16.16102,Retroene
2901,[O:1]([C:2]([C:3](=[O:4])[C:5]#[C:6][H:10])([H:8])[H:9])[H:7],[O:1]([C:2]([O+:4]=[C-:3][C:5]#[C:6][H:10])([H:8])[H:9])[H:7],"InChI=1S/C4H4O2/c1-2-4(6)3-5/h1,5H,3H2","InChI=1S/C4H4O2/c1-2-3-6-4-5/h1,5H,4H2",91.97878,57.981759999999994,
2902,[O:1]([C:2]([C:3](=[O:4])[C:5]#[C:6][H:10])([H:8])[H:9])[H:7],[O:1]([C:2](=[C:3]([O-:4])[C:5](=[C+:6][H:10])[H:9])[H:8])[H:7],"InChI=1S/C4H4O2/c1-2-4(6)3-5/h1,5H,3H2","InChI=1S/C4H4O2/c1-2-4(6)3-5/h1-3H,(H-,5,6)",52.650819999999996,49.03618,
2903,[O:1]([C:2]([C:3](=[O:4])[C:5]#[C:6][H:10])([H:8])[H:9])[H:7],[O:1]([C:2]([C:3](=[O:4])[C:6](=[C:5])[H:10])([H:8])[H:9])[H:7],"InChI=1S/C4H4O2/c1-2-4(6)3-5/h1,5H,3H2","InChI=1S/C4H4O2/c1-2-4(6)3-5/h2,5H,3H2",50.96013,46.76628,Singlet_Carbene_Intra_Disproportionation
2904,[O:1]([C:2]([C:3](=[O:4])[C:5]#[C:6][H:10])([H:8])[H:9])[H:7],[O:1](/[C:2](=[C:3](\[O:4][H:7])[C:5]#[C:6][H:10])[H:8])[H:9],"InChI=1S/C4H4O2/c1-2-4(6)3-5/h1,5H,3H2","InChI=1S/C4H4O2/c1-2-4(6)3-5/h1,3,5-6H/b4-3-",60.35483000000001,4.27289,ketoenol
2905,[O:1]([C:2]([C:3](=[O:4])[C:5]#[C:6][H:10])([H:8])[H:9])[H:7],[O:1]=[C:2]([C@@:3]([O:4][H:7])([C:5]#[C:6][H:10])[H:8])[H:9],"InChI=1S/C4H4O2/c1-2-4(6)3-5/h1,5H,3H2","InChI=1S/C4H4O2/c1-2-4(6)3-5/h1,3-4,6H/t4-/m0/s1",37.0552,5.939430000000001,
2906,[O:1]([C:2]([C:3](=[O:4])[C:5]#[C:6][H:10])([H:8])[H:9])[H:7],[O:1]([C@@:2]1([H:8])[C:3](=[O:4])[C:5]1=[C:6]([H:9])[H:10])[H:7],"InChI=1S/C4H4O2/c1-2-4(6)3-5/h1,5H,3H2","InChI=1S/C4H4O2/c1-2-3(5)4(2)6/h3,5H,1H2/t3-/m1/s1",51.58018,13.65455,
2907,[O:1]([C:2]([C:3](=[O:4])[C:5]#[C:6][H:10])([H:8])[H:9])[H:7],[O:1]([C:2]([C:3]#[C:5][C:6](=[O:4])[H:10])([H:8])[H:9])[H:7],"InChI=1S/C4H4O2/c1-2-4(6)3-5/h1,5H,3H2","InChI=1S/C4H4O2/c5-3-1-2-4-6/h3,6H,4H2",73.9659,4.44492,
2908,[O:1]([C:2]([C:3](=[O:4])[C:5]#[C:6][H:10])([H:8])[H:9])[H:7],[O:1]1[C:2]([H:8])([H:9])[C@:3]1([O:4][H:7])[C:5]#[C:6][H:10],"InChI=1S/C4H4O2/c1-2-4(6)3-5/h1,5H,3H2","InChI=1S/C4H4O2/c1-2-4(5)3-6-4/h1,5H,3H2/t4-/m0/s1",47.81305,23.40091,
2909,[O:1]([C:2]([C:3](=[O:4])[C:5]#[C:6][H:10])([H:8])[H:9])[H:7],[O:1]([C:2]([C-:3]=[O+:4][C:5]#[C:6][H:10])([H:8])[H:9])[H:7],"InChI=1S/C4H4O2/c1-2-4(6)3-5/h1,5H,3H2","InChI=1S/C4H4O2/c1-2-6-4-3-5/h1,5H,3H2",96.81165,81.75013,
2910,[O:1]([C:2]([C:3](=[O:4])[C:5]#[C:6][H:10])([H:8])[H:9])[H:7],[O:1]([C:2]([C:5]([C:3]#[O+:4])=[C-:6][H:10])([H:8])[H:9])[H:7],"InChI=1S/C4H4O2/c1-2-4(6)3-5/h1,5H,3H2","InChI=1S/C4H4O2/c1-4(2-5)3-6/h1,5H,2H2",56.40104,21.91154,
2911,[O:1]([C:2]1([H:7])[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5]1([H:12])[H:13])[H:6],[O:1]([C@@:2]([C:3]([C:4][H:11])([H:8])[H:9])([C:5]([H:10])([H:12])[H:13])[H:7])[H:6],"InChI=1S/C4H8O/c5-4-2-1-3-4/h4-5H,1-3H2","InChI=1S/C4H8O/c1-3-4(2)5/h1,4-5H,3H2,2H3/t4-/m1/s1",76.79625,77.17919,
2912,[O:1]([C:2]1([H:7])[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5]1([H:12])[H:13])[H:6],[O:1]([C:5]([C:2]1([H:7])[C:3]([H:8])([H:9])[C:4]1([H:10])[H:11])([H:12])[H:13])[H:6],"InChI=1S/C4H8O/c5-4-2-1-3-4/h4-5H,1-3H2","InChI=1S/C4H8O/c5-3-4-1-2-4/h4-5H,1-3H2",79.49126,4.81496,
2913,[O:1]([C:2]1([H:7])[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5]1([H:12])[H:13])[H:6],[H:6][H:13].[O:1]=[C:2]([C:5]1([H:12])[C:3]([H:8])([H:9])[C:4]1([H:10])[H:11])[H:7],"InChI=1S/C4H8O/c5-4-2-1-3-4/h4-5H,1-3H2","InChI=1S/C4H6O.H2/c5-3-4-1-2-4;/h3-4H,1-2H2;1H",83.04149,17.62463,
2914,[O:1]([C:2]1([H:7])[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5]1([H:12])[H:13])[H:6],[O:1]=[C:2]([C:5]([C:4]([C:3]([H:6])([H:8])[H:9])([H:10])[H:11])([H:12])[H:13])[H:7],"InChI=1S/C4H8O/c5-4-2-1-3-4/h4-5H,1-3H2","InChI=1S/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H3",64.67186,-15.44377,
2915,[O:1]([C:2]1([H:7])[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5]1([H:12])[H:13])[H:6],[H:8][H:11].[O:1]([C@@:2]1([H:7])[C:3]([H:9])=[C:4]([H:10])[C:5]1([H:12])[H:13])[H:6],"InChI=1S/C4H8O/c5-4-2-1-3-4/h4-5H,1-3H2","InChI=1S/C4H6O.H2/c5-4-2-1-3-4;/h1-2,4-5H,3H2;1H/t4-;/m0./s1",117.38683999999999,35.458690000000004,
2916,[O:1]([C:2]1([H:7])[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5]1([H:12])[H:13])[H:6],[C:3]1([H:8])([H:9])[C:4]([H:10])([H:11])[C:5]1([H:12])[H:13].[O:1]([C:2][H:7])[H:6],"InChI=1S/C4H8O/c5-4-2-1-3-4/h4-5H,1-3H2",InChI=1S/C3H6.CH2O/c1-2-3-1;1-2/h1-3H2;1-2H,95.16292,79.95864,
2917,[O:1]([C:2]1([H:7])[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5]1([H:12])[H:13])[H:6],[C:3](=[C:4]([H:10])[H:11])([H:8])[H:9].[O:1]([C:2](=[C:5]([H:12])[H:13])[H:7])[H:6],"InChI=1S/C4H8O/c5-4-2-1-3-4/h4-5H,1-3H2","InChI=1S/C2H4O.C2H4/c1-2-3;1-2/h2-3H,1H2;1-2H2",76.12256,16.123089999999998,
2918,[O:1]([C:2]1([H:7])[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5]1([H:12])[H:13])[H:6],[O:1]([C:2]([C:5]([C:4]([C:3][H:8])([H:10])[H:11])([H:12])[H:13])([H:7])[H:9])[H:6],"InChI=1S/C4H8O/c5-4-2-1-3-4/h4-5H,1-3H2","InChI=1S/C4H8O/c1-2-3-4-5/h1,5H,2-4H2",77.20245,80.92644,
2919,[O:1]([C:2]1([H:7])[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5]1([H:12])[H:13])[H:6],[O:1]([C@@:2]([C:3][H:8])([C:5]([C:4]([H:9])([H:10])[H:11])([H:12])[H:13])[H:7])[H:6],"InChI=1S/C4H8O/c5-4-2-1-3-4/h4-5H,1-3H2","InChI=1S/C4H8O/c1-3-4(2)5/h2,4-5H,3H2,1H3/t4-/m0/s1",79.84066,74.77545,
2920,[O:1]([C:2]1([H:7])[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5]1([H:12])[H:13])[H:6],[H:6][H:7].[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5]1([H:12])[H:13],"InChI=1S/C4H8O/c5-4-2-1-3-4/h4-5H,1-3H2",InChI=1S/C4H6O.H2/c5-4-2-1-3-4;/h1-3H2;1H,75.7846,11.97631,
2921,[O:1]([C:2]1([H:7])[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5]1([H:12])[H:13])[H:6],[C:2]1([H:7])=[C:5]([H:13])[C:4]([H:10])([H:11])[C:3]1([H:8])[H:9].[O:1]([H:6])[H:12],"InChI=1S/C4H8O/c5-4-2-1-3-4/h4-5H,1-3H2","InChI=1S/C4H6.H2O/c1-2-4-3-1;/h1-2H,3-4H2;1H2",63.91336999999999,17.18826,"1,3_Insertion_ROR"
2922,[O:1]([C:2]1([H:7])[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5]1([H:12])[H:13])[H:6],[O:1]([C:2][C:5]([C:4]([C:3]([H:7])([H:8])[H:9])([H:10])[H:11])([H:12])[H:13])[H:6],"InChI=1S/C4H8O/c5-4-2-1-3-4/h4-5H,1-3H2","InChI=1S/C4H8O/c1-2-3-4-5/h5H,2-3H2,1H3",56.209430000000005,39.84044,
2923,[O:1]([C:2]1([H:7])[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5]1([H:12])[H:13])[H:6],[C@@:2]12([H:7])[C:3]([H:8])([H:9])[C@:4]1([H:11])[C:5]2([H:12])[H:13].[O:1]([H:6])[H:10],"InChI=1S/C4H8O/c5-4-2-1-3-4/h4-5H,1-3H2","InChI=1S/C4H6.H2O/c1-3-2-4(1)3;/h3-4H,1-2H2;1H2/t3-,4+;",94.3328,31.011120000000002,
2924,[C:1]1([H:7])([H:8])[C:2]([H:9])=[C:3]([H:10])[C@@:4]2([H:11])[N:5]([H:12])[C@@:6]12[H:13],[C:1]([C:2](=[C:3]=[C:4]([H:10])[H:11])[H:9])(/[C:6](=[N:5]\[H:12])[H:13])([H:7])[H:8],"InChI=1S/C5H7N/c1-2-4-5(3-1)6-4/h1-2,4-6H,3H2/t4-,5+/m1/s1","InChI=1S/C5H7N/c1-2-3-4-5-6/h3,5-6H,1,4H2/b6-5-",71.53520999999999,7.3363,
2925,[C:1]1([H:7])([H:8])[C:2]([H:9])=[C:3]([H:10])[C@@:4]2([H:11])[N:5]([H:12])[C@@:6]12[H:13],[C:1]1([H:7])([H:8])[C@:2]2([H:9])[C:3]([H:10])=[C:4]([H:11])[C@@:6]1([H:13])[N:5]2[H:12],"InChI=1S/C5H7N/c1-2-4-5(3-1)6-4/h1-2,4-6H,3H2/t4-,5+/m1/s1","InChI=1S/C5H7N/c1-2-5-3-4(1)6-5/h1-2,4-6H,3H2/t4-,5+",53.53528000000001,27.58523,
2926,[C:1]1([H:7])([H:8])[C:2]([H:9])=[C:3]([H:10])[C@@:4]2([H:11])[N:5]([H:12])[C@@:6]12[H:13],[C:1]1([H:7])([H:8])[C:2]([H:9])=[C:3]([H:10])[N+:5]2([H:12])[C-:4]([H:11])[C@:6]12[H:13],"InChI=1S/C5H7N/c1-2-4-5(3-1)6-4/h1-2,4-6H,3H2/t4-,5+/m1/s1","InChI=1S/C5H7N/c1-2-5-4-6(5)3-1/h1,3-6H,2H2/t5-/m0/s1",88.08856999999999,61.54999,
2927,[C:1]1([H:7])([H:8])[C:2]([H:9])=[C:3]([H:10])[C@@:4]2([H:11])[N:5]([H:12])[C@@:6]12[H:13],[C:1]1([H:7])([H:8])[C:2]([H:9])=[C:3]([H:10])[C:4]([H:11])([H:12])[N:5]=[C:6]1[H:13],"InChI=1S/C5H7N/c1-2-4-5(3-1)6-4/h1-2,4-6H,3H2/t4-,5+/m1/s1","InChI=1S/C5H7N/c1-2-4-6-5-3-1/h1-2,5H,3-4H2",61.110640000000004,32.41796,
2928,[C:1]1([H:7])([H:8])[C:2]([H:9])=[C:3]([H:10])[C@@:4]2([H:11])[N:5]([H:12])[C@@:6]12[H:13],[C:1](=[C:6](/[C:4](=[N:5]\[H:12])[H:11])[H:13])([H:7])[H:8].[C:2](#[C:3][H:10])[H:9],"InChI=1S/C5H7N/c1-2-4-5(3-1)6-4/h1-2,4-6H,3H2/t4-,5+/m1/s1","InChI=1S/C3H5N.C2H2/c1-2-3-4;1-2/h2-4H,1H2;1-2H/b4-3-;",83.9897,37.306979999999996,
2929,[C:1]1([H:7])([H:8])[C:2]([H:9])=[C:3]([H:10])[C@@:4]2([H:11])[N:5]([H:12])[C@@:6]12[H:13],[C:1]1([H:7])([H:8])[C@:2]2([H:9])[C@@:3]3([H:10])[C@:4]([H:11])([N:5]3[H:12])[C@:6]12[H:13],"InChI=1S/C5H7N/c1-2-4-5(3-1)6-4/h1-2,4-6H,3H2/t4-,5+/m1/s1","InChI=1S/C5H7N/c1-2-3(1)5-4(2)6-5/h2-6H,1H2/t2-,3+,4-,5+",82.34334,45.023790000000005,
2930,[C:1]1([H:7])([H:8])[C:2]([H:9])=[C:3]([H:10])[C@@:4]2([H:11])[N:5]([H:12])[C@@:6]12[H:13],[C:1](=[C:2](/[C:3](=[C:4]([C:6](=[N:5]/[H:12])\[H:13])/[H:11])[H:10])[H:9])([H:7])[H:8],"InChI=1S/C5H7N/c1-2-4-5(3-1)6-4/h1-2,4-6H,3H2/t4-,5+/m1/s1","InChI=1S/C5H7N/c1-2-3-4-5-6/h2-6H,1H2/b4-3-,6-5-",39.93401,-7.2228,
2931,[C:1]1([H:7])([H:8])[C:2]([H:9])=[C:3]([H:10])[C@@:4]2([H:11])[N:5]([H:12])[C@@:6]12[H:13],[C:1]1([H:7])([H:8])[C:2]([H:9])=[C:3]([H:10])[C:4]([H:11])([H:13])[N:5]([H:12])[C:6]1,"InChI=1S/C5H7N/c1-2-4-5(3-1)6-4/h1-2,4-6H,3H2/t4-,5+/m1/s1","InChI=1S/C5H7N/c1-2-4-6-5-3-1/h1-2,6H,3-4H2",69.22851,60.493669999999995,
2932,[C:1]1([H:7])([H:8])[C:2]([H:9])=[C:3]([H:10])[C@@:4]2([H:11])[N:5]([H:12])[C@@:6]12[H:13],[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@:3]3([H:10])[C@@:4]2([H:11])[C@@:6]1([H:13])[N:5]3[H:12],"InChI=1S/C5H7N/c1-2-4-5(3-1)6-4/h1-2,4-6H,3H2/t4-,5+/m1/s1","InChI=1S/C5H7N/c1-2-4-3(1)6-5(2)4/h2-6H,1H2/t2-,3+,4-,5-/m1/s1",91.17161,35.49296,
2933,[C:1]1([H:7])([H:8])[C:2]([H:9])=[C:3]([H:10])[C@@:4]2([H:11])[N:5]([H:12])[C@@:6]12[H:13],[C:1]1([H:7])([H:8])[C:2]([H:9])=[C:3]=[C:4]([H:11])[N:5]=[C:6]1[H:13].[H:10][H:12],"InChI=1S/C5H7N/c1-2-4-5(3-1)6-4/h1-2,4-6H,3H2/t4-,5+/m1/s1","InChI=1S/C5H5N.H2/c1-2-4-6-5-3-1;/h1,4-5H,2H2;1H",101.77149,52.12073,
2934,[C:1]1([H:7])([H:8])[C:2]([H:9])=[C:3]([H:10])[C@@:4]2([H:11])[N:5]([H:12])[C@@:6]12[H:13],[C:1]1([H:7])([H:8])[C+:2]([H:9])[C:3]([H:10])=[C-:4][N:5]([H:12])[C:6]1([H:11])[H:13],"InChI=1S/C5H7N/c1-2-4-5(3-1)6-4/h1-2,4-6H,3H2/t4-,5+/m1/s1","InChI=1S/C5H7N/c1-2-4-6-5-3-1/h1-2,6H,3,5H2",68.42445,59.02991,
2935,[C:1]1([H:7])([H:8])[C:2]([H:9])=[C:3]([H:10])[C@@:4]2([H:11])[N:5]([H:12])[C@@:6]12[H:13],[C:1]1([H:7])([H:8])[C+:2]([H:9])[C:3]([H:10])=[C-:4][C@:6]1([N:5]([H:11])[H:12])[H:13],"InChI=1S/C5H7N/c1-2-4-5(3-1)6-4/h1-2,4-6H,3H2/t4-,5+/m1/s1","InChI=1S/C5H7N/c6-5-3-1-2-4-5/h1-2,5H,3,6H2/t5-/m0/s1",57.29841999999999,53.188219999999994,
2936,[C:1]1([H:7])([H:8])[C:2]([H:9])=[C:3]([H:10])[C@@:4]2([H:11])[N:5]([H:12])[C@@:6]12[H:13],[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3][C@@:4]2([H:11])[N:5]([H:12])[C@@:6]12[H:13],"InChI=1S/C5H7N/c1-2-4-5(3-1)6-4/h1-2,4-6H,3H2/t4-,5+/m1/s1","InChI=1S/C5H7N/c1-2-4-5(3-1)6-4/h4-6H,1-2H2/t4-,5+/m0/s1",68.30842,68.20398,Singlet_Carbene_Intra_Disproportionation
2937,[C:1]1([H:7])([H:8])[C:2]([H:9])=[C:3]([H:10])[C@@:4]2([H:11])[N:5]([H:12])[C@@:6]12[H:13],[C:1]1([H:7])([H:8])[C:2]([H:9])=[C:3]([H:10])[C@:4]([N:5]([H:12])[H:13])([H:11])[C:6]1,"InChI=1S/C5H7N/c1-2-4-5(3-1)6-4/h1-2,4-6H,3H2/t4-,5+/m1/s1","InChI=1S/C5H7N/c6-5-3-1-2-4-5/h1,3,5H,2,6H2/t5-/m1/s1",60.185590000000005,58.8324,
2938,[C:1]1([H:7])([H:8])[C:2]([H:9])=[C:3]([H:10])[C@@:4]2([H:11])[N:5]([H:12])[C@@:6]12[H:13],[C:1](=[C:2]([C:3]([C@@:4]1([H:11])[N:5]=[C:6]1[H:13])([H:10])[H:12])[H:9])([H:7])[H:8],"InChI=1S/C5H7N/c1-2-4-5(3-1)6-4/h1-2,4-6H,3H2/t4-,5+/m1/s1","InChI=1S/C5H7N/c1-2-3-5-4-6-5/h2,4-5H,1,3H2/t5-/m1/s1",69.95692,23.41337,
2939,[C:1]1([H:7])([H:8])[C:2]([H:9])=[C:3]([H:10])[C@@:4]2([H:11])[N:5]([H:12])[C@@:6]12[H:13],[C:1](=[C:2]([C@@:3]1([H:10])[C@@:4]2([H:11])[N:5]([H:12])[C@@:6]12[H:13])[H:9])([H:7])[H:8],"InChI=1S/C5H7N/c1-2-4-5(3-1)6-4/h1-2,4-6H,3H2/t4-,5+/m1/s1","InChI=1S/C5H7N/c1-2-3-4-5(3)6-4/h2-6H,1H2/t3-,4+,5-",67.61502,37.89204,
2940,[C:1]1([H:7])([H:8])[C:2]([H:9])=[C:3]([H:10])[C@@:4]2([H:11])[N:5]([H:12])[C@@:6]12[H:13],[C:1]1([H:7])([H:8])[C:2]([H:9])=[C:3]([H:10])[C@:6]1([N:5]([C:4][H:11])[H:12])[H:13],"InChI=1S/C5H7N/c1-2-4-5(3-1)6-4/h1-2,4-6H,3H2/t4-,5+/m1/s1","InChI=1S/C5H7N/c1-6-5-3-2-4-5/h1-3,5-6H,4H2/t5-/m1/s1",94.69884,56.84264,
2941,[C:1]1([H:7])([H:8])[C:2]([H:9])=[C:3]([H:10])[C@@:4]2([H:11])[N:5]([H:12])[C@@:6]12[H:13],[C:1]([C:2](=[C:3])[H:9])([C@@:6]1([H:13])[C:4]([H:10])([H:11])[N:5]1[H:12])([H:7])[H:8],"InChI=1S/C5H7N/c1-2-4-5(3-1)6-4/h1-2,4-6H,3H2/t4-,5+/m1/s1","InChI=1S/C5H7N/c1-2-3-5-4-6-5/h2,5-6H,3-4H2/t5-/m0/s1",78.73371,80.80364,
2942,[C:1]1([H:7])([H:8])[C:2]([H:9])=[C:3]([H:10])[C@@:4]2([H:11])[N:5]([H:12])[C@@:6]12[H:13],[C:1]1([H:7])=[C:2]([H:9])[C:3]([H:10])=[C:4]([H:11])[N:5]([H:12])[C:6]1([H:8])[H:13],"InChI=1S/C5H7N/c1-2-4-5(3-1)6-4/h1-2,4-6H,3H2/t4-,5+/m1/s1","InChI=1S/C5H7N/c1-2-4-6-5-3-1/h1-4,6H,5H2",47.62406,-16.592370000000003,
2943,[C:1]1([H:7])([H:8])[C:2]([H:9])=[C:3]([H:10])[C@@:4]2([H:11])[N:5]([H:12])[C@@:6]12[H:13],[C:1]1([H:7])([H:8])[C:2][C:3]([H:9])([H:10])[C@@:4]2([H:11])[N:5]([H:12])[C@@:6]12[H:13],"InChI=1S/C5H7N/c1-2-4-5(3-1)6-4/h1-2,4-6H,3H2/t4-,5+/m1/s1","InChI=1S/C5H7N/c1-2-4-5(3-1)6-4/h4-6H,2-3H2/t4-,5+",71.09855,73.00819,Singlet_Carbene_Intra_Disproportionation
2944,[C:1]1([H:7])([H:8])[C:2]([H:9])=[C:3]([H:10])[C@@:4]2([H:11])[N:5]([H:12])[C@@:6]12[H:13],[C:1]([C@@:6]1([H:13])[C@:4]([C:3](=[C:2])[H:10])([H:11])[N:5]1[H:12])([H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-2-4-5(3-1)6-4/h1-2,4-6H,3H2/t4-,5+/m1/s1","InChI=1S/C5H7N/c1-3-5-4(2)6-5/h3-6H,2H3/t4-,5+/m0/s1",76.42341,78.01709,
2945,[C:1]1([H:7])([H:8])[C:2]([H:9])=[C:3]([H:10])[C@@:4]2([H:11])[N:5]([H:12])[C@@:6]12[H:13],[C:1]1([H:7])([H:8])[C:2]([H:9])=[C:3]([H:10])[C@@:4]2([H:11])[N+:5]1([H:12])[C-:6]2[H:13],"InChI=1S/C5H7N/c1-2-4-5(3-1)6-4/h1-2,4-6H,3H2/t4-,5+/m1/s1","InChI=1S/C5H7N/c1-2-5-4-6(5)3-1/h1-2,4-6H,3H2/t5-/m1/s1",107.5331,60.91678,
2946,[C:1]1([H:7])([H:8])[C:2]([H:9])=[C:3]([H:10])[C@@:4]2([H:11])[N:5]([H:12])[C@@:6]12[H:13],[C:1]1([H:7])=[C:2]([H:9])[C@:3]2([H:10])[C@@:4]3([H:11])[N:5]2[C@@:6]13[H:13].[H:8][H:12],"InChI=1S/C5H7N/c1-2-4-5(3-1)6-4/h1-2,4-6H,3H2/t4-,5+/m1/s1","InChI=1S/C5H5N.H2/c1-2-4-5-3(1)6(4)5;/h1-5H;1H/t3-,4+,5-,6?;",78.19823000000001,53.53314,
2947,[C:1]1([H:7])([H:8])[C:2]([H:9])=[C:3]([H:10])[C@@:4]2([H:11])[N:5]([H:12])[C@@:6]12[H:13],[C:1]1([H:7])([H:8])[C:2]([H:9])=[C:3]([H:10])[C:4]([H:11])=[N:5][C:6]1([H:12])[H:13],"InChI=1S/C5H7N/c1-2-4-5(3-1)6-4/h1-2,4-6H,3H2/t4-,5+/m1/s1","InChI=1S/C5H7N/c1-2-4-6-5-3-1/h1-2,4H,3,5H2",63.119530000000005,-17.94891,
2948,[C:1]1([H:7])([H:8])[C:2]([H:9])=[C:3]([H:10])[C@@:4]2([H:11])[N:5]([H:12])[C@@:6]12[H:13],[C:1]1([H:7])([H:8])[C-:2]([H:9])[C:3]([H:10])([H:11])[C+:4]2[N:5]([H:12])[C@@:6]12[H:13],"InChI=1S/C5H7N/c1-2-4-5(3-1)6-4/h1-2,4-6H,3H2/t4-,5+/m1/s1","InChI=1S/C5H7N/c1-2-4-5(3-1)6-4/h1,4,6H,2-3H2/t4-/m0/s1",93.87979,69.6331,
2949,[C:1]1([H:7])([H:8])[C:2]([H:9])=[C:3]([H:10])[C@@:4]2([H:11])[N:5]([H:12])[C@@:6]12[H:13],[C:1]1([H:7])([H:8])[C+:2]=[C:3]([H:10])[C@@:4]2([H:11])[N-:5][C@@:6]12[H:13].[H:9][H:12],"InChI=1S/C5H7N/c1-2-4-5(3-1)6-4/h1-2,4-6H,3H2/t4-,5+/m1/s1","InChI=1S/C5H5N.H2/c1-2-4-5(3-1)6-4;/h2,4-5H,3H2;1H/t4-,5+;/m1./s1",113.63055,94.04551,
2950,[C:1]1([H:7])([H:8])[C:2]([H:9])=[C:3]([H:10])[C@@:4]2([H:11])[N:5]([H:12])[C@@:6]12[H:13],[C:1]1([H:7])([H:8])[C-:2]=[C:3]([H:10])[C+:4]2[N:5]([H:12])[C@@:6]12[H:13].[H:9][H:11],"InChI=1S/C5H7N/c1-2-4-5(3-1)6-4/h1-2,4-6H,3H2/t4-,5+/m1/s1","InChI=1S/C5H5N.H2/c1-2-4-5(3-1)6-4;/h2,5-6H,3H2;1H/t5-;/m0./s1",144.56372,100.77268000000001,
2951,[C:1]1([H:7])([H:8])[C:2]([H:9])=[C:3]([H:10])[C@@:4]2([H:11])[N:5]([H:12])[C@@:6]12[H:13],[C+:1]1([H:8])[C:2]([H:9])=[C-:3][C@@:4]2([H:11])[N:5]([H:12])[C@@:6]12[H:13].[H:7][H:10],"InChI=1S/C5H7N/c1-2-4-5(3-1)6-4/h1-2,4-6H,3H2/t4-,5+/m1/s1","InChI=1S/C5H5N.H2/c1-2-4-5(3-1)6-4;/h1-2,4-6H;1H/t4-,5+;/m0./s1",127.05077,101.76874000000001,
2952,[C:1]1([H:7])([H:8])[C:2]([H:9])=[C:3]([H:10])[C@@:4]2([H:11])[N:5]([H:12])[C@@:6]12[H:13],[C:1]1([H:7])([H:8])[C:2]([H:9])([H:13])[C-:3]([H:10])[C@@:4]2([H:11])[N:5]([H:12])[C+:6]12,"InChI=1S/C5H7N/c1-2-4-5(3-1)6-4/h1-2,4-6H,3H2/t4-,5+/m1/s1","InChI=1S/C5H7N/c1-2-4-5(3-1)6-4/h2,4,6H,1,3H2/t4-/m1/s1",104.45378000000001,56.88251999999999,
2953,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[O:6]1,[O:1]=[C:2]=[C:3]([C:4]([C:5]([O:6][H:8])([H:11])[H:12])([H:9])[H:10])[H:7],InChI=1S/C4H6O2/c5-4-2-1-3-6-4/h1-3H2,"InChI=1S/C4H6O2/c5-3-1-2-4-6/h1,6H,2,4H2",69.91859000000001,27.203329999999998,
2954,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[O:6]1,[O:1]([C:2]1=[C:3]([H:7])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[O:6]1)[H:8],InChI=1S/C4H6O2/c5-4-2-1-3-6-4/h1-3H2,"InChI=1S/C4H6O2/c5-4-2-1-3-6-4/h2,5H,1,3H2",73.4589,24.35016,ketoenol
2955,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[O:6]1,[O:1]=[C:2]([C:3]([C:4]([C:5][H:11])([H:9])[H:10])([H:7])[H:8])[O:6][H:12],InChI=1S/C4H6O2/c5-4-2-1-3-6-4/h1-3H2,"InChI=1S/C4H6O2/c1-2-3-4(5)6/h1H,2-3H2,(H,5,6)",91.47887,88.67348,
2956,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[O:6]1,[C:5](=[O:6])([H:11])[H:12].[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]1([H:9])[H:10],InChI=1S/C4H6O2/c5-4-2-1-3-6-4/h1-3H2,InChI=1S/C3H4O.CH2O/c4-3-1-2-3;1-2/h1-2H2;1H2,88.19929,64.30162,
2957,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[O:6]1,[C:4](=[C:5]([H:11])[H:12])([H:9])[H:10].[O:1]1[C:2](=[O:6])[C:3]1([H:7])[H:8],InChI=1S/C4H6O2/c5-4-2-1-3-6-4/h1-3H2,InChI=1S/C2H2O2.C2H4/c3-2-1-4-2;1-2/h1H2;1-2H2,66.77865,56.18498,
2958,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[O:6]1,[O:1]([C@@:2]12[C:3]([H:7])([H:8])[C@:4]1([H:9])[C:5]([H:11])([H:12])[O:6]2)[H:10],InChI=1S/C4H6O2/c5-4-2-1-3-6-4/h1-3H2,"InChI=1S/C4H6O2/c5-4-1-3(4)2-6-4/h3,5H,1-2H2/t3-,4-/m1/s1",116.10167,57.14045,
2959,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[O:6]1,[O:1]=[C:2]([C:3]([C:4]([H:9])([H:10])[H:11])([H:7])[H:8])[O+:6]=[C-:5][H:12],InChI=1S/C4H6O2/c5-4-2-1-3-6-4/h1-3H2,"InChI=1S/C4H6O2/c1-3-4(5)6-2/h2H,3H2,1H3",81.01454,78.15296,
2960,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[O:6]1,[H:7][H:12].[O:1]=[C:2]=[C:3]([C:4]([C:5](=[O:6])[H:11])([H:9])[H:10])[H:8],InChI=1S/C4H6O2/c5-4-2-1-3-6-4/h1-3H2,"InChI=1S/C4H4O2.H2/c5-3-1-2-4-6;/h1,4H,2H2;1H",70.78125,44.38968,
2961,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[O:6]1,[O:1]([C:2]([C:3]([C:4](=[C:5]([H:11])[H:12])[H:10])([H:7])[H:8])=[O:6])[H:9],InChI=1S/C4H6O2/c5-4-2-1-3-6-4/h1-3H2,"InChI=1S/C4H6O2/c1-2-3-4(5)6/h2H,1,3H2,(H,5,6)",74.26365,8.75941,
2962,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[O:6]1,[O:1]([C:2]1=[O+:6][C-:5]([H:12])[C:4]([H:9])([H:10])[C:3]1([H:7])[H:8])[H:11],InChI=1S/C4H6O2/c5-4-2-1-3-6-4/h1-3H2,"InChI=1S/C4H6O2/c5-4-2-1-3-6-4/h3,5H,1-2H2",103.56115,73.4292,
2963,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[O:6]1,[C:4]([C:5](=[O:6])[H:12])([H:9])([H:10])[H:11].[O:1]=[C:2]=[C:3]([H:7])[H:8],InChI=1S/C4H6O2/c5-4-2-1-3-6-4/h1-3H2,"InChI=1S/C2H4O.C2H2O/c2*1-2-3/h2H,1H3;1H2",92.7753,34.33798,
2964,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[O:6]1,[C:3](=[C:4]([H:9])[H:10])([H:7])[H:8].[C:5](=[O:6])([H:11])[H:12].[O+:1]#[C-:2],InChI=1S/C4H6O2/c5-4-2-1-3-6-4/h1-3H2,InChI=1S/C2H4.CH2O.CO/c3*1-2/h1-2H2;1H2;,69.26093,49.40668,
2965,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[O:6]1,[O:1]1[C:2](=[C:3]([H:7])[H:8])[O:6][C:5]([H:11])([H:12])[C:4]1([H:9])[H:10],InChI=1S/C4H6O2/c5-4-2-1-3-6-4/h1-3H2,InChI=1S/C4H6O2/c1-4-5-2-3-6-4/h1-3H2,90.35531,31.516029999999997,ketoenol
2966,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[O:6]1,[C:4]1([H:9])([H:10])[C:5]([H:11])([H:12])[O:6]1.[O:1]=[C:2]=[C:3]([H:7])[H:8],InChI=1S/C4H6O2/c5-4-2-1-3-6-4/h1-3H2,InChI=1S/C2H4O.C2H2O/c1-2-3-1;1-2-3/h1-2H2;1H2,100.26091,61.84751,
2967,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[O:6]1,[H:8][H:10].[O:1]=[C:2]1[C:3]([H:7])=[C:4]([H:9])[C:5]([H:11])([H:12])[O:6]1,InChI=1S/C4H6O2/c5-4-2-1-3-6-4/h1-3H2,"InChI=1S/C4H4O2.H2/c5-4-2-1-3-6-4;/h1-2H,3H2;1H",99.26998,25.64921,
2968,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[O:6]1,[O:1]=[C:2]([C:3]([C:4]([C:5](=[O:6])[H:12])([H:9])[H:10])([H:7])[H:8])[H:11],InChI=1S/C4H6O2/c5-4-2-1-3-6-4/h1-3H2,"InChI=1S/C4H6O2/c5-3-1-2-4-6/h3-4H,1-2H2",68.84016,20.37353,
2969,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[O:6]1,[C:3]1([H:7])([H:8])[C:4]([H:9])([H:10])[C:5]1([H:11])[H:12].[O:1]=[C:2]=[O:6],InChI=1S/C4H6O2/c5-4-2-1-3-6-4/h1-3H2,InChI=1S/C3H6.CO2/c1-2-3-1;2-1-3/h1-3H2;,74.38318000000001,6.1739,
2970,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[O:6]1,[O:1]([C@:2]12[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C@@:5]1([H:11])[O:6]2)[H:12],InChI=1S/C4H6O2/c5-4-2-1-3-6-4/h1-3H2,"InChI=1S/C4H6O2/c5-4-2-1-3(4)6-4/h3,5H,1-2H2/t3-,4+/m1/s1",116.10086000000001,52.21013,
2971,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[O:6]1,[O:1]=[C:2]([C:3](=[C:4]([H:9])[H:10])[H:7])[O:6][C:5]([H:8])([H:11])[H:12],InChI=1S/C4H6O2/c5-4-2-1-3-6-4/h1-3H2,"InChI=1S/C4H6O2/c1-3-4(5)6-2/h3H,1H2,2H3",87.40848000000001,24.39989,
2972,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[O:6]1,[C:5]([H:11])[H:12].[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[O:6]1,InChI=1S/C4H6O2/c5-4-2-1-3-6-4/h1-3H2,InChI=1S/C3H4O2.CH2/c4-3-1-2-5-3;/h1-2H2;1H2,128.50505,132.08493,
2973,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[O:6]1,[H:10][H:12].[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])=[C:5]([H:11])[O:6]1,InChI=1S/C4H6O2/c5-4-2-1-3-6-4/h1-3H2,"InChI=1S/C4H4O2.H2/c5-4-2-1-3-6-4;/h1,3H,2H2;1H",107.1701,27.840740000000004,
2974,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[O:6]1,[C:3](=[C:4]([C:5]([H:9])([H:11])[H:12])[H:10])([H:7])[H:8].[O:1]=[C:2]=[O:6],InChI=1S/C4H6O2/c5-4-2-1-3-6-4/h1-3H2,"InChI=1S/C3H6.CO2/c1-3-2;2-1-3/h3H,1H2,2H3;",66.89875,-2.1668,
2975,[C:1]([C:2]1([H:9])[C:3]([H:10])([H:11])[O:4][C:5]1([H:12])[H:13])([H:6])([H:7])[H:8],[C:1]([C:2](=[C:3]([H:10])[H:11])[H:9])([H:6])([H:7])[H:8].[O:4]=[C:5]([H:12])[H:13],"InChI=1S/C4H8O/c1-4-2-5-3-4/h4H,2-3H2,1H3","InChI=1S/C3H6.CH2O/c1-3-2;1-2/h3H,1H2,2H3;1H2",56.70253,4.36845,2+2_cycloaddition
2976,[C:1]([C:2]1([H:9])[C:3]([H:10])([H:11])[O:4][C:5]1([H:12])[H:13])([H:6])([H:7])[H:8],[C:1]([C@@:2]([C:3]([O:4][H:13])([H:10])[H:11])([C:5][H:12])[H:9])([H:6])([H:7])[H:8],"InChI=1S/C4H8O/c1-4-2-5-3-4/h4H,2-3H2,1H3","InChI=1S/C4H8O/c1-4(2)3-5/h1,4-5H,3H2,2H3/t4-/m0/s1",73.39786,73.67531,
2977,[C:1]([C:2]1([H:9])[C:3]([H:10])([H:11])[O:4][C:5]1([H:12])[H:13])([H:6])([H:7])[H:8],[C:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[O+:4]=[C-:5]1)([H:6])([H:7])[H:8].[H:12][H:13],"InChI=1S/C4H8O/c1-4-2-5-3-4/h4H,2-3H2,1H3","InChI=1S/C4H6O.H2/c1-4-2-5-3-4;/h4H,2H2,1H3;1H/t4-;/m0./s1",76.42421,69.43771,
2978,[C:1]([C:2]1([H:9])[C:3]([H:10])([H:11])[O:4][C:5]1([H:12])[H:13])([H:6])([H:7])[H:8],[C:1]([C:2]([C:3]([O+:4]=[C-:5][H:13])([H:10])[H:11])([H:9])[H:12])([H:6])([H:7])[H:8],"InChI=1S/C4H8O/c1-4-2-5-3-4/h4H,2-3H2,1H3","InChI=1S/C4H8O/c1-3-4-5-2/h2H,3-4H2,1H3",76.36138000000001,45.52402,
2979,[C:1]([C:2]1([H:9])[C:3]([H:10])([H:11])[O:4][C:5]1([H:12])[H:13])([H:6])([H:7])[H:8],[C:1]([C:2]1=[C:5]([H:12])[O:4][C:3]1([H:10])[H:11])([H:6])([H:7])[H:8].[H:9][H:13],"InChI=1S/C4H8O/c1-4-2-5-3-4/h4H,2-3H2,1H3","InChI=1S/C4H6O.H2/c1-4-2-5-3-4;/h2H,3H2,1H3;1H",104.44945,30.123990000000003,
2980,[C:1]([C:2]1([H:9])[C:3]([H:10])([H:11])[O:4][C:5]1([H:12])[H:13])([H:6])([H:7])[H:8],[C:1]([H:6])([H:7])([H:8])[H:12].[C:2]1([H:9])=[C:5]([H:13])[O:4][C:3]1([H:10])[H:11],"InChI=1S/C4H8O/c1-4-2-5-3-4/h4H,2-3H2,1H3","InChI=1S/C3H4O.CH4/c1-2-4-3-1;/h1-2H,3H2;1H4",105.62771000000001,20.410829999999997,
2981,[C:1]([C:2]1([H:9])[C:3]([H:10])([H:11])[O:4][C:5]1([H:12])[H:13])([H:6])([H:7])[H:8],[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[O:4][C@@:5]12[H:13].[H:6][H:12],"InChI=1S/C4H8O/c1-4-2-5-3-4/h4H,2-3H2,1H3","InChI=1S/C4H6O.H2/c1-3-2-5-4(1)3;/h3-4H,1-2H2;1H/t3-,4-;/m0./s1",94.94579,42.5668,
2982,[C:1]([C:2]1([H:9])[C:3]([H:10])([H:11])[O:4][C:5]1([H:12])[H:13])([H:6])([H:7])[H:8],[C:1]([C:2](=[C:3]([H:10])[H:11])[C:5]([O:4][H:9])([H:12])[H:13])([H:6])([H:7])[H:8],"InChI=1S/C4H8O/c1-4-2-5-3-4/h4H,2-3H2,1H3","InChI=1S/C4H8O/c1-4(2)3-5/h5H,1,3H2,2H3",83.19439,-14.56008,
2983,[C:1]([N:2](/[C:3](=[N:4]/[H:11])[C:5]#[N:6])[H:10])([H:7])([H:8])[H:9],[C:1]([N:2]([C:3](=[N:4][H:11])[N+:6]#[C-:5])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C3H5N3/c1-6-3(5)2-4/h1H3,(H2,5,6)","InChI=1S/C3H5N3/c1-5-3(4)6-2/h1H3,(H2,4,5)",48.842,21.88146,
2984,[C:1]([N:2](/[C:3](=[N:4]/[H:11])[C:5]#[N:6])[H:10])([H:7])([H:8])[H:9],[C:1]([N:2]([H:10])[H:11])([H:7])([H:8])[H:9].[C:3](#[N:4])[C:5]#[N:6],"InChI=1S/C3H5N3/c1-6-3(5)2-4/h1H3,(H2,5,6)","InChI=1S/C2N2.CH5N/c3-1-2-4;1-2/h;2H2,1H3",57.13168,23.98171,
2985,[C:1]([N:2](/[C:3](=[N:4]/[H:11])[C:5]#[N:6])[H:10])([H:7])([H:8])[H:9],[C:1](/[C:3](=[N:2]\[H:10])[N:4]([C:5]#[N:6])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C3H5N3/c1-6-3(5)2-4/h1H3,(H2,5,6)","InChI=1S/C3H5N3/c1-3(5)6-2-4/h1H3,(H2,5,6)",96.87901,-3.10683,
2986,[C:1]([N:2](/[C:3](=[N:4]/[H:11])[C:5]#[N:6])[H:10])([H:7])([H:8])[H:9],[C:1]([N:2]([C:3]1=[C:5]=[N+:6]([H:11])[N-:4]1)[H:10])([H:7])([H:8])[H:9],"InChI=1S/C3H5N3/c1-6-3(5)2-4/h1H3,(H2,5,6)","InChI=1S/C3H5N3/c1-4-3-2-5-6-3/h4-5H,1H3",127.84958999999999,100.87091,
2987,[C:1]([N:2](/[C:3](=[N:4]/[H:11])[C:5]#[N:6])[H:10])([H:7])([H:8])[H:9],[C:1]([N:2]=[C:3]=[N:4][H:11])([H:7])([H:8])[H:9].[C:5]=[N:6][H:10],"InChI=1S/C3H5N3/c1-6-3(5)2-4/h1H3,(H2,5,6)","InChI=1S/C2H4N2.CHN/c1-4-2-3;1-2/h3H,1H3;2H",57.807430000000004,40.29956,
2988,[C:1]([N:2](/[C:3](=[N:4]/[H:11])[C:5]#[N:6])[H:10])([H:7])([H:8])[H:9],[C:1](/[N:2]=[C:3](/[N:4]([H:10])[H:11])[C:5]#[N:6])([H:7])([H:8])[H:9],"InChI=1S/C3H5N3/c1-6-3(5)2-4/h1H3,(H2,5,6)","InChI=1S/C3H5N3/c1-6-3(5)2-4/h1H3,(H2,5,6)",39.73928,0.16474,
2989,[C:1]([N:2](/[C:3](=[N:4]/[H:11])[C:5]#[N:6])[H:10])([H:7])([H:8])[H:9],[C:1]([N:2]([C:3]#[N:4])[H:10])([H:7])([H:8])[H:9].[C:5]=[N:6][H:11],"InChI=1S/C3H5N3/c1-6-3(5)2-4/h1H3,(H2,5,6)","InChI=1S/C2H4N2.CHN/c1-4-2-3;1-2/h4H,1H3;2H",61.787440000000004,43.37715,
2990,[C:1]([N:2](/[C:3](=[N:4]/[H:11])[C:5]#[N:6])[H:10])([H:7])([H:8])[H:9],[C+:1]([N:2]([C:3]([N:4]([H:9])[H:11])=[C:5]=[N-:6])[H:10])([H:7])[H:8],"InChI=1S/C3H5N3/c1-6-3(5)2-4/h1H3,(H2,5,6)","InChI=1S/C3H5N3/c1-6-3(5)2-4/h6H,1,5H2",40.23485,28.29788,
2991,[C:1]([N:2](/[C:3](=[N:4]/[H:11])[C:5]#[N:6])[H:10])([H:7])([H:8])[H:9],[C:1]([N:2]([C:3][N:4]([N+:6]#[C-:5])[H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C3H5N3/c1-6-3(5)2-4/h1H3,(H2,5,6)","InChI=1S/C3H5N3/c1-4-3-6-5-2/h4,6H,1H3",101.69592,89.39759000000001,
2992,[C:1]([N:2](/[C:3](=[N:4]/[H:11])[C:5]#[N:6])[H:10])([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:10].[N:2](=[C:3]=[N:4][H:11])[C:5]#[N:6],"InChI=1S/C3H5N3/c1-6-3(5)2-4/h1H3,(H2,5,6)",InChI=1S/C2HN3.CH4/c3-1-5-2-4;/h3H;1H4,82.14390999999999,11.69102,
2993,[C:1]([N:2](/[C:3](=[N:4]/[H:11])[C:5]#[N:6])[H:10])([H:7])([H:8])[H:9],[C-:1]([N+:2](/[C:3](=[N:4]/[H:11])[C:5]#[N:6])([H:9])[H:10])([H:7])[H:8],"InChI=1S/C3H5N3/c1-6-3(5)2-4/h1H3,(H2,5,6)","InChI=1S/C3H5N3/c1-6-3(5)2-4/h5H,1,6H2/b5-3+",89.28927,83.63016999999999,
2994,[C:1]([N:2](/[C:3](=[N:4]/[H:11])[C:5]#[N:6])[H:10])([H:7])([H:8])[H:9],[C:1]([C:5]#[N:6])([H:7])([H:8])[H:9].[N:2](=[C:3]=[N:4][H:11])[H:10],"InChI=1S/C3H5N3/c1-6-3(5)2-4/h1H3,(H2,5,6)",InChI=1S/C2H3N.CH2N2/c1-2-3;2-1-3/h1H3;2-3H,94.64416,3.9692800000000004,
2995,[C:1]([N:2](/[C:3](=[N:4]/[H:11])[C:5]#[N:6])[H:10])([H:7])([H:8])[H:9],[C:1]([N:2]([C:3][N:4]([C:5]#[N:6])[H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C3H5N3/c1-6-3(5)2-4/h1H3,(H2,5,6)","InChI=1S/C3H5N3/c1-5-3-6-2-4/h5-6H,1H3",66.8451,42.2271,
2996,[C:1]([N:2](/[C:3](=[N:4]/[H:11])[C:5]#[N:6])[H:10])([H:7])([H:8])[H:9],[C:1]([N:2]([C:3]#[C:5]/[N:6]=[N:4]\[H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C3H5N3/c1-6-3(5)2-4/h1H3,(H2,5,6)","InChI=1S/C3H5N3/c1-5-2-3-6-4/h4-5H,1H3/b6-4-",123.03985,71.07636,
2997,[O:1]=[C:2]([N:3]([C:4]1([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])[H:8])[H:7],[O:1]=[C:2](/[N:3]=[C:4](/[C:6]([C:5]([H:8])([H:10])[H:11])([H:12])[H:13])[H:9])[H:7],"InChI=1S/C4H7NO/c6-3-5-4-1-2-4/h3-4H,1-2H2,(H,5,6)","InChI=1S/C4H7NO/c1-2-3-5-4-6/h3-4H,2H2,1H3/b5-3+",78.14616,-3.8978900000000003,
2998,[O:1]=[C:2]([N:3]([C:4]1([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])[H:8])[H:7],[O:1]([C:2][N:3]([C:4]1([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])[H:8])[H:7],"InChI=1S/C4H7NO/c6-3-5-4-1-2-4/h3-4H,1-2H2,(H,5,6)","InChI=1S/C4H7NO/c6-3-5-4-1-2-4/h4-6H,1-2H2",73.58072,43.07692,
2999,[O:1]=[C:2]([N:3]([C:4]1([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])[H:8])[H:7],[O:1]=[C:2]([N:3]([C:4](=[C:5]([C:6]([H:11])([H:12])[H:13])[H:10])[H:9])[H:8])[H:7],"InChI=1S/C4H7NO/c6-3-5-4-1-2-4/h3-4H,1-2H2,(H,5,6)","InChI=1S/C4H7NO/c1-2-3-5-4-6/h2-4H,1H3,(H,5,6)",69.57649,-13.57509,
3000,[O:1]=[C:2]([N:3]([C:4]1([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])[H:8])[H:7],[O:1]=[C:2]([C:6]([C:5](/[C:4](=[N:3]/[H:8])[H:9])([H:10])[H:11])([H:12])[H:13])[H:7],"InChI=1S/C4H7NO/c6-3-5-4-1-2-4/h3-4H,1-2H2,(H,5,6)","InChI=1S/C4H7NO/c5-3-1-2-4-6/h3-5H,1-2H2/b5-3+",55.75476,-0.24831999999999999,
3001,[O:1]=[C:2]([N:3]([C:4]1([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])[H:8])[H:7],[O:1](/[C:2](=[N:3]/[H:8])[H:7])[C:4]1([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13],"InChI=1S/C4H7NO/c6-3-5-4-1-2-4/h3-4H,1-2H2,(H,5,6)","InChI=1S/C4H7NO/c5-3-6-4-1-2-4/h3-5H,1-2H2/b5-3+",65.94685,18.30723,ketoenol
3002,[O:1]=[C:2]([N:3]([C:4]1([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])[H:8])[H:7],[O:1]=[C:2]([N:3]([C@:4]([C:5][H:11])([C:6]([H:10])([H:12])[H:13])[H:9])[H:8])[H:7],"InChI=1S/C4H7NO/c6-3-5-4-1-2-4/h3-4H,1-2H2,(H,5,6)","InChI=1S/C4H7NO/c1-4(2)5-3-6/h1,3-4H,2H3,(H,5,6)/t4-/m1/s1",66.34097,73.12309,
3003,[O:1]=[C:2]([N:3]([C:4]1([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])[H:8])[H:7],[O:1](/[C:2](=[N:3]/[C:4]1([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])[H:7])[H:8],"InChI=1S/C4H7NO/c6-3-5-4-1-2-4/h3-4H,1-2H2,(H,5,6)","InChI=1S/C4H7NO/c6-3-5-4-1-2-4/h3-4H,1-2H2,(H,5,6)",40.62056,9.27352,ketoenol
3004,[O:1]=[C:2]([N:3]([C:4]1([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])[H:8])[H:7],[O:1](/[C:2](=[N:3]\[H:8])[H:7])[C:6]([C:4](=[C:5]([H:10])[H:11])[H:9])([H:12])[H:13],"InChI=1S/C4H7NO/c6-3-5-4-1-2-4/h3-4H,1-2H2,(H,5,6)","InChI=1S/C4H7NO/c1-2-3-6-4-5/h2,4-5H,1,3H2/b5-4-",72.27154,10.53651,
3005,[O:1]=[C:2]([N:3]([C:4]1([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])[H:8])[H:7],[C:4]1([H:9])=[C:5]([H:11])[C:6]1([H:12])[H:13].[O:1](/[C:2](=[N:3]\[H:8])[H:7])[H:10],"InChI=1S/C4H7NO/c6-3-5-4-1-2-4/h3-4H,1-2H2,(H,5,6)","InChI=1S/C3H4.CH3NO/c1-2-3-1;2-1-3/h1-2H,3H2;1H,(H2,2,3)",71.21245,52.579269999999994,Retroene
3006,[O:1]=[C:2]([N:3]([C:4]1([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])[H:8])[H:7],[C:5](=[C:6]([H:12])[H:13])([H:10])[H:11].[O:1]=[C:2](/[C:4](=[N:3]/[H:8])[H:9])[H:7],"InChI=1S/C4H7NO/c6-3-5-4-1-2-4/h3-4H,1-2H2,(H,5,6)",InChI=1S/C2H3NO.C2H4/c3-1-2-4;1-2/h1-3H;1-2H2/b3-1+;,74.05326,26.24597,
3007,[O:1]=[C:2]([N:3]([C:4]1([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])[H:8])[H:7],[O:1]=[C:2]([N+:3](=[C-:4][C:6]([C:5]([H:9])([H:10])[H:11])([H:12])[H:13])[H:8])[H:7],"InChI=1S/C4H7NO/c6-3-5-4-1-2-4/h3-4H,1-2H2,(H,5,6)","InChI=1S/C4H7NO/c1-2-3-5-4-6/h4-5H,2H2,1H3",53.55321,31.051640000000003,
3008,[O:1]=[C:2]([N:3]([C:4]1([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])[H:8])[H:7],[O+:1]1=[C:2]([H:7])[N:3]([H:8])[C-:4]([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13],"InChI=1S/C4H7NO/c6-3-5-4-1-2-4/h3-4H,1-2H2,(H,5,6)","InChI=1S/C4H7NO/c1-2-5-4-6-3-1/h2,4-5H,1,3H2",53.36461,39.15506,
3009,[O:1]=[C:2]([N:3]([C:4]1([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])[H:8])[H:7],[O:1]=[C:2]([N+:3]([C-:4]1[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])([H:8])[H:9])[H:7],"InChI=1S/C4H7NO/c6-3-5-4-1-2-4/h3-4H,1-2H2,(H,5,6)","InChI=1S/C4H7NO/c6-3-5-4-1-2-4/h3H,1-2,5H2",81.29051,80.14955,
3010,[O:1]=[C:2]([N:3]([C:4]1([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])[H:8])[H:7],[O:1]=[C:2]([C:5]([N:3]([C:4](=[C:6]([H:12])[H:13])[H:9])[H:8])([H:10])[H:11])[H:7],"InChI=1S/C4H7NO/c6-3-5-4-1-2-4/h3-4H,1-2H2,(H,5,6)","InChI=1S/C4H7NO/c1-2-5-3-4-6/h2,4-5H,1,3H2",93.97196,9.431510000000001,
3011,[O:1]=[C:2]([N:3]([C:4]1([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])[H:8])[H:7],[O:1]([C@:2]1([H:7])[N:3]([H:8])[C@:4]2([H:9])[C:5]([H:10])([H:11])[C@:6]12[H:12])[H:13],"InChI=1S/C4H7NO/c6-3-5-4-1-2-4/h3-4H,1-2H2,(H,5,6)","InChI=1S/C4H7NO/c6-4-2-1-3(2)5-4/h2-6H,1H2/t2-,3+,4-/m0/s1",96.11191,33.87332,
3012,[O:1]=[C:2]([N:3]([C:4]1([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])[H:8])[H:7],[H:7][H:8].[O:1]=[C:2]=[N:3][C:4]1([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13],"InChI=1S/C4H7NO/c6-3-5-4-1-2-4/h3-4H,1-2H2,(H,5,6)","InChI=1S/C4H5NO.H2/c6-3-5-4-1-2-4;/h4H,1-2H2;1H",69.97961,16.411839999999998,
3013,[O:1]=[C:2]([N:3]([C:4]1([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])[H:8])[H:7],[H:8][H:9].[O:1]=[C:2]([N:3]=[C:4]1[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])[H:7],"InChI=1S/C4H7NO/c6-3-5-4-1-2-4/h3-4H,1-2H2,(H,5,6)","InChI=1S/C4H5NO.H2/c6-3-5-4-1-2-4;/h3H,1-2H2;1H",104.32751999999999,43.853590000000004,
3014,[O:1]=[C:2]([N:3]([C:4]1([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])[H:8])[H:7],[N:3](=[C:4]1[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])[H:8].[O:1]=[C:2]([H:7])[H:9],"InChI=1S/C4H7NO/c6-3-5-4-1-2-4/h3-4H,1-2H2,(H,5,6)","InChI=1S/C3H5N.CH2O/c4-3-1-2-3;1-2/h4H,1-2H2;1H2",82.61992,44.41538,
3015,[O:1]=[C:2]([N:3]([C:4]1([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])[H:8])[H:7],[C:4]1([H:7])([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13].[O:1]=[C:2]=[N:3][H:8],"InChI=1S/C4H7NO/c6-3-5-4-1-2-4/h3-4H,1-2H2,(H,5,6)",InChI=1S/C3H6.CHNO/c1-2-3-1;2-1-3/h1-3H2;2H,83.27788000000001,1.80873,
3016,[O:1]=[C:2]([N:3]([C:4]1([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])[H:8])[H:7],[O:1]=[C:2]([N+:3]([C:4](=[C:5]([H:10])[H:11])[H:9])([C-:6]([H:12])[H:13])[H:8])[H:7],"InChI=1S/C4H7NO/c6-3-5-4-1-2-4/h3-4H,1-2H2,(H,5,6)","InChI=1S/C4H7NO/c1-3-5(2)4-6/h3-5H,1-2H2",92.7896,73.98071999999999,
3017,[O:1]=[C:2]([N:3]([C:4]1([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])[H:8])[H:7],[O:1]1[C@:2]2([H:7])[N:3]([H:8])[C@:4]([H:9])([C:5]1([H:10])[H:11])[C:6]2([H:12])[H:13],"InChI=1S/C4H7NO/c6-3-5-4-1-2-4/h3-4H,1-2H2,(H,5,6)","InChI=1S/C4H7NO/c1-3-2-6-4(1)5-3/h3-5H,1-2H2/t3-,4-/m0/s1",85.63235999999999,29.20958,
3018,[O:1]=[C:2]([C:3]([C:4]1([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])([H:8])[H:9])[H:7],[O+:1](=[C-:2][H:7])[C:3]([C:4]1([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])([H:8])[H:9],"InChI=1S/C5H8O/c6-4-3-5-1-2-5/h4-5H,1-3H2","InChI=1S/C5H8O/c1-6-4-5-2-3-5/h1,5H,2-4H2",109.09908999999999,66.91771999999999,
3019,[O:1]=[C:2]([C:3]([C:4]1([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])([H:8])[H:9])[H:7],[O:1]=[C:2]([C:3]([C:4][C:5]([C:6]([H:10])([H:13])[H:14])([H:11])[H:12])([H:8])[H:9])[H:7],"InChI=1S/C5H8O/c6-4-3-5-1-2-5/h4-5H,1-3H2","InChI=1S/C5H8O/c1-2-3-4-5-6/h5H,2,4H2,1H3",65.61033,70.71168,
3020,[O:1]=[C:2]([C:3]([C:4]1([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])([H:8])[H:9])[H:7],[O:1]([C:2][C:3]([C:4]1([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])([H:8])[H:9])[H:7],"InChI=1S/C5H8O/c6-4-3-5-1-2-5/h4-5H,1-3H2","InChI=1S/C5H8O/c6-4-3-5-1-2-5/h5-6H,1-3H2",80.90156999999999,55.94871,
3021,[O:1]=[C:2]([C:3]([C:4]1([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])([H:8])[H:9])[H:7],[O:1]([C:2](=[C:3]([H:8])[H:9])[H:7])[C:4]1([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14],"InChI=1S/C5H8O/c6-4-3-5-1-2-5/h4-5H,1-3H2","InChI=1S/C5H8O/c1-2-6-5-3-4-5/h2,5H,1,3-4H2",82.2254,15.37166,ketoenol
3022,[O:1]=[C:2]([C:3]([C:4]1([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])([H:8])[H:9])[H:7],[O:1]([C:2]([C:3]([C:4]1([H:10])[C:5]([H:11])=[C:6]1[H:13])([H:8])[H:9])([H:7])[H:12])[H:14],"InChI=1S/C5H8O/c6-4-3-5-1-2-5/h4-5H,1-3H2","InChI=1S/C5H8O/c6-4-3-5-1-2-5/h1-2,5-6H,3-4H2",69.16053000000001,35.9471,
3023,[O:1]=[C:2]([C:3]([C:4]1([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])([H:8])[H:9])[H:7],[O+:1]1=[C:6]([H:13])[C@@:4]([C:5]([H:11])([H:12])[H:14])([H:10])[C:3]([H:8])([H:9])[C-:2]1[H:7],"InChI=1S/C5H8O/c6-4-3-5-1-2-5/h4-5H,1-3H2","InChI=1S/C5H8O/c1-5-2-3-6-4-5/h3-5H,2H2,1H3/t5-/m1/s1",68.20374,39.846709999999995,
3024,[O:1]=[C:2]([C:3]([C:4]1([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])([H:8])[H:9])[H:7],[C:3](=[C:4]1[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])([H:8])[H:9].[O:1]=[C:2]([H:7])[H:10],"InChI=1S/C5H8O/c6-4-3-5-1-2-5/h4-5H,1-3H2",InChI=1S/C4H6.CH2O/c1-4-2-3-4;1-2/h1-3H2;1H2,74.51253,35.96329,
3025,[O:1]=[C:2]([C:3]([C:4]1([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])([H:8])[H:9])[H:7],[H:9][H:12].[O:1]=[C:2](/[C:3](=[C:4](\[C:5](=[C:6]([H:13])[H:14])[H:11])[H:10])[H:8])[H:7],"InChI=1S/C5H8O/c6-4-3-5-1-2-5/h4-5H,1-3H2","InChI=1S/C5H6O.H2/c1-2-3-4-5-6;/h2-5H,1H2;1H/b4-3-;",83.18144000000001,18.349610000000002,
3026,[O:1]=[C:2]([C:3]([C:4]1([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])([H:8])[H:9])[H:7],[C:5](=[C:6]([H:13])[H:14])([H:11])[H:12].[O:1]=[C:2]([C:4](=[C:3]([H:8])[H:9])[H:10])[H:7],"InChI=1S/C5H8O/c6-4-3-5-1-2-5/h4-5H,1-3H2","InChI=1S/C3H4O.C2H4/c1-2-3-4;1-2/h2-3H,1H2;1-2H2",65.40101,13.75869,
3027,[O:1]=[C:2]([C:3]([C:4]1([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])([H:8])[H:9])[H:7],[O:1]([C:2](=[C:3]([H:8])[H:9])[H:7])[C:6]([C:4](=[C:5]([H:11])[H:12])[H:10])([H:13])[H:14],"InChI=1S/C5H8O/c6-4-3-5-1-2-5/h4-5H,1-3H2","InChI=1S/C5H8O/c1-3-5-6-4-2/h3-4H,1-2,5H2",60.22185,10.23825,
3028,[O:1]=[C:2]([C:3]([C:4]1([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])([H:8])[H:9])[H:7],[O:1]([C@:2]1([H:7])[C:3]([H:8])([H:9])[C@@:4]2([H:10])[C:5]([H:11])([H:12])[C@@:6]12[H:13])[H:14],"InChI=1S/C5H8O/c6-4-3-5-1-2-5/h4-5H,1-3H2","InChI=1S/C5H8O/c6-5-2-3-1-4(3)5/h3-6H,1-2H2/t3-,4-,5-/m1/s1",89.22438000000001,17.11854,
3029,[O:1]=[C:2]([C:3]([C:4]1([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])([H:8])[H:9])[H:7],[O:1](/[C:2](=[C:3](\[C:4]1([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])[H:8])[H:7])[H:9],"InChI=1S/C5H8O/c6-4-3-5-1-2-5/h4-5H,1-3H2","InChI=1S/C5H8O/c6-4-3-5-1-2-5/h3-6H,1-2H2/b4-3-",66.67845,3.09595,ketoenol
3030,[O:1]=[C:2]([C:3]([C:4]1([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])([H:8])[H:9])[H:7],[O:1]1[C@@:2]([C:3]([C:4](=[C:5]([H:11])[H:12])[H:10])([H:8])[H:9])([H:7])[C:6]1([H:13])[H:14],"InChI=1S/C5H8O/c6-4-3-5-1-2-5/h4-5H,1-3H2","InChI=1S/C5H8O/c1-2-3-5-4-6-5/h2,5H,1,3-4H2/t5-/m1/s1",72.72574,16.4951,
3031,[O:1]=[C:2]([C:3]([C:4]1([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])([H:8])[H:9])[H:7],[O:1]=[C:2]([C:6]([C:5]([C:4](=[C:3]([H:8])[H:9])[H:10])([H:11])[H:12])([H:13])[H:14])[H:7],"InChI=1S/C5H8O/c6-4-3-5-1-2-5/h4-5H,1-3H2","InChI=1S/C5H8O/c1-2-3-4-5-6/h2,5H,1,3-4H2",59.2227,-5.56689,
3032,[O:1]=[C:2]([C:3]([C:4]1([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])([H:8])[H:9])[H:7],[C:3](=[C:4]([C:5]([C:6]([H:7])([H:13])[H:14])([H:11])[H:12])[H:10])([H:8])[H:9].[O+:1]#[C-:2],"InChI=1S/C5H8O/c6-4-3-5-1-2-5/h4-5H,1-3H2","InChI=1S/C4H8.CO/c1-3-4-2;1-2/h3H,1,4H2,2H3;",47.97234,-8.275,
3033,[O:1]=[C:2]([C:3]([C:4]1([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])([H:8])[H:9])[H:7],[H:9][H:10].[O:1]=[C:2]([C:3](=[C:4]1[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])[H:8])[H:7],"InChI=1S/C5H8O/c6-4-3-5-1-2-5/h4-5H,1-3H2","InChI=1S/C5H6O.H2/c6-4-3-5-1-2-5;/h3-4H,1-2H2;1H",95.52498,32.62894,
3034,[O:1]=[C:2]([C:3]([C:4]1([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])([H:8])[H:9])[H:7],[C:4]1([H:10])=[C:5]([H:11])[C:6]1([H:13])[H:14].[O:1]([C:2](=[C:3]([H:8])[H:9])[H:7])[H:12],"InChI=1S/C5H8O/c6-4-3-5-1-2-5/h4-5H,1-3H2","InChI=1S/C3H4.C2H4O/c1-2-3-1;1-2-3/h1-2H,3H2;2-3H,1H2",62.857730000000004,51.91646,Retroene
3035,[O:1]=[C:2]([C:3]([C:4]1([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])([H:8])[H:9])[H:7],[C:4]1([H:9])([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14].[O:1]=[C:2]=[C:3]([H:7])[H:8],"InChI=1S/C5H8O/c6-4-3-5-1-2-5/h4-5H,1-3H2",InChI=1S/C3H6.C2H2O/c1-2-3-1;1-2-3/h1-3H2;1H2,78.98411,16.18819,
3036,[O:1]=[C:2]([C:3]([C:4]1([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])([H:8])[H:9])[H:7],[O+:1](=[C-:2][H:7])[C:4]1([H:10])[C:3]([H:8])([H:9])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14],"InChI=1S/C5H8O/c6-4-3-5-1-2-5/h4-5H,1-3H2","InChI=1S/C5H8O/c1-6-5-3-2-4-5/h1,5H,2-4H2",95.61235,63.711369999999995,
3037,[C:1]([O:2]/[C:3]([C:4]([H:9])([H:10])[H:11])=[N:5]/[H:12])([H:6])([H:7])[H:8],[C:1]([N:5]([C:3](=[O:2])[C:4]([H:9])([H:10])[H:11])[H:12])([H:6])([H:7])[H:8],"InChI=1S/C3H7NO/c1-3(4)5-2/h4H,1-2H3/b4-3+","InChI=1S/C3H7NO/c1-3(5)4-2/h1-2H3,(H,4,5)",45.81801,-15.55625,ketoenol
3038,[C:1]([O:2]/[C:3]([C:4]([H:9])([H:10])[H:11])=[N:5]/[H:12])([H:6])([H:7])[H:8],[C:1]([O:2][C:3](=[C:4]([H:10])[H:11])[N:5]([H:9])[H:12])([H:6])([H:7])[H:8],"InChI=1S/C3H7NO/c1-3(4)5-2/h4H,1-2H3/b4-3+","InChI=1S/C3H7NO/c1-3(4)5-2/h1,4H2,2H3",63.311519999999994,15.083110000000001,
3039,[C:1]([O:2]/[C:3]([C:4]([H:9])([H:10])[H:11])=[N:5]/[H:12])([H:6])([H:7])[H:8],[C:1]([C:4]([H:9])([H:10])[H:11])([H:6])([H:7])[H:8].[O:2]=[C:3]=[N:5][H:12],"InChI=1S/C3H7NO/c1-3(4)5-2/h4H,1-2H3/b4-3+",InChI=1S/C2H6.CHNO/c1-2;2-1-3/h1-2H3;2H,91.9134,-11.569280000000001,
3040,[C:1]([O:2]/[C:3]([C:4]([H:9])([H:10])[H:11])=[N:5]/[H:12])([H:6])([H:7])[H:8],[C:1]([O:2][C:3]#[N:5])([H:6])([H:7])[H:8].[C:4]([H:9])([H:10])([H:11])[H:12],"InChI=1S/C3H7NO/c1-3(4)5-2/h4H,1-2H3/b4-3+",InChI=1S/C2H3NO.CH4/c1-4-2-3;/h1H3;1H4,95.98456,23.44248,
3041,[C:1]([O:2]/[C:3]([C:4]([H:9])([H:10])[H:11])=[N:5]/[H:12])([H:6])([H:7])[H:8],[C:1]([O+:2]=[C-:3][N:5]([C:4]([H:9])([H:10])[H:11])[H:12])([H:6])([H:7])[H:8],"InChI=1S/C3H7NO/c1-3(4)5-2/h4H,1-2H3/b4-3+","InChI=1S/C3H7NO/c1-4-3-5-2/h4H,1-2H3",66.90415,41.488859999999995,
3042,[C:1]([O:2]/[C:3]([C:4]([H:9])([H:10])[H:11])=[N:5]/[H:12])([H:6])([H:7])[H:8],[C:1]([O:2][H:9])([H:6])([H:7])[H:8].[C:3](=[C:4]([H:10])[H:11])=[N:5][H:12],"InChI=1S/C3H7NO/c1-3(4)5-2/h4H,1-2H3/b4-3+","InChI=1S/C2H3N.CH4O/c1-2-3;1-2/h3H,1H2;2H,1H3",71.35985,33.16385,
3043,[C:1]([O:2]/[C:3]([C:4]([H:9])([H:10])[H:11])=[N:5]/[H:12])([H:6])([H:7])[H:8],[C:1](=[O:2])([H:7])[H:8].[C:3](\[C:4]([H:9])([H:10])[H:11])(=[N:5]\[H:12])[H:6],"InChI=1S/C3H7NO/c1-3(4)5-2/h4H,1-2H3/b4-3+","InChI=1S/C2H5N.CH2O/c1-2-3;1-2/h2-3H,1H3;1H2/b3-2-;",101.90894,24.371010000000002,
3044,[O:1]=[C:2]([C:3]([N:4]([C:5](=[O:6])[H:11])[H:10])([H:8])[H:9])[H:7],[O:1]=[C:2]([C:3]([O:6]/[C:5](=[N:4]/[H:10])[H:11])([H:8])[H:9])[H:7],"InChI=1S/C3H5NO2/c5-2-1-4-3-6/h2-3H,1H2,(H,4,6)","InChI=1S/C3H5NO2/c4-3-6-2-1-5/h1,3-4H,2H2/b4-3+",63.885380000000005,17.73742,ketoenol
3045,[O:1]=[C:2]([C:3]([N:4]([C:5](=[O:6])[H:11])[H:10])([H:8])[H:9])[H:7],[O:1]=[C:2]([C:3]([N:4]([C:5][O:6][H:11])[H:10])([H:8])[H:9])[H:7],"InChI=1S/C3H5NO2/c5-2-1-4-3-6/h2-3H,1H2,(H,4,6)","InChI=1S/C3H5NO2/c5-2-1-4-3-6/h2,4,6H,1H2",73.44075,43.45165,
3046,[O:1]=[C:2]([C:3]([N:4]([C:5](=[O:6])[H:11])[H:10])([H:8])[H:9])[H:7],[O:1]1[C@:2]2([H:7])[C:3]([H:8])([H:9])[N:4]([H:10])[C@@:5]1([H:11])[O:6]2,"InChI=1S/C3H5NO2/c5-2-1-4-3-6/h2-3H,1H2,(H,4,6)","InChI=1S/C3H5NO2/c1-2-5-3(4-1)6-2/h2-4H,1H2/t2-,3+",61.967780000000005,51.12437,
3047,[O:1]=[C:2]([C:3]([N:4]([C:5](=[O:6])[H:11])[H:10])([H:8])[H:9])[H:7],[H:10][H:11].[O:1]=[C:2]([C:3]([N:4]=[C:5]=[O:6])([H:8])[H:9])[H:7],"InChI=1S/C3H5NO2/c5-2-1-4-3-6/h2-3H,1H2,(H,4,6)","InChI=1S/C3H3NO2.H2/c5-2-1-4-3-6;/h2H,1H2;1H",73.23498000000001,16.76509,
3048,[O:1]=[C:2]([C:3]([N:4]([C:5](=[O:6])[H:11])[H:10])([H:8])[H:9])[H:7],[C-:5]#[O+:6].[O:1]=[C:2]([C:3]([N:4]([H:10])[H:11])([H:8])[H:9])[H:7],"InChI=1S/C3H5NO2/c5-2-1-4-3-6/h2-3H,1H2,(H,4,6)","InChI=1S/C2H5NO.CO/c3-1-2-4;1-2/h2H,1,3H2;",76.24449,14.17973,"1,2_Insertion_CO"
3049,[O:1]=[C:2]([C:3]([N:4]([C:5](=[O:6])[H:11])[H:10])([H:8])[H:9])[H:7],[O-:1][C:2](=[C:3]([N:4]([C+:5]([O:6][H:9])[H:11])[H:10])[H:8])[H:7],"InChI=1S/C3H5NO2/c5-2-1-4-3-6/h2-3H,1H2,(H,4,6)","InChI=1S/C3H5NO2/c5-2-1-4-3-6/h1-4,6H",33.963809999999995,26.25685,
3050,[O:1]=[C:2]([C:3]([N:4]([C:5](=[O:6])[H:11])[H:10])([H:8])[H:9])[H:7],[O:1]([C@@:2]1([H:7])[C:3]([H:8])([H:9])[N:4]1[H:10])[C:5](=[O:6])[H:11],"InChI=1S/C3H5NO2/c5-2-1-4-3-6/h2-3H,1H2,(H,4,6)","InChI=1S/C3H5NO2/c5-2-6-3-1-4-3/h2-4H,1H2/t3-/m0/s1",61.6754,28.66897,
3051,[O:1]=[C:2]([C:3]([N:4]([C:5](=[O:6])[H:11])[H:10])([H:8])[H:9])[H:7],[C:3](=[N:4][H:10])([H:8])[H:9].[O:1]=[C:2]([C:5](=[O:6])[H:11])[H:7],"InChI=1S/C3H5NO2/c5-2-1-4-3-6/h2-3H,1H2,(H,4,6)","InChI=1S/C2H2O2.CH3N/c3-1-2-4;1-2/h1-2H;2H,1H2",78.93783,41.05858,
3052,[O:1]=[C:2]([C:3]([N:4]([C:5](=[O:6])[H:11])[H:10])([H:8])[H:9])[H:7],[O:1]=[C:2]([C:3](/[N:4]=[C:5](/[O:6][H:10])[H:11])([H:8])[H:9])[H:7],"InChI=1S/C3H5NO2/c5-2-1-4-3-6/h2-3H,1H2,(H,4,6)","InChI=1S/C3H5NO2/c5-2-1-4-3-6/h2-3H,1H2,(H,4,6)",42.1056,10.751330000000001,ketoenol
3053,[O:1]=[C:2]([C:3]([N:4]([C:5](=[O:6])[H:11])[H:10])([H:8])[H:9])[H:7],[O:1]=[C:2]([O+:6]=[C:5]([N:4]([C-:3]([H:8])[H:9])[H:10])[H:11])[H:7],"InChI=1S/C3H5NO2/c5-2-1-4-3-6/h2-3H,1H2,(H,4,6)","InChI=1S/C3H5NO2/c1-4-2-6-3-5/h2-4H,1H2",57.15551,45.71829,
3054,[O:1]=[C:2]([C:3]([N:4]([C:5](=[O:6])[H:11])[H:10])([H:8])[H:9])[H:7],[O:1](/[C:2](=[C:3](\[N:4]=[C:5](/[O:6][H:9])[H:11])[H:8])[H:7])[H:10],"InChI=1S/C3H5NO2/c5-2-1-4-3-6/h2-3H,1H2,(H,4,6)","InChI=1S/C3H5NO2/c5-2-1-4-3-6/h1-3,5H,(H,4,6)/b2-1-",42.449909999999996,7.7567,
3055,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[O:4][C:5]1=[O:6])[H:7],[O:1]([C@@:2]1([H:8])[C-:3]([H:10])[O+:4]=[C:5]1[O:6][H:9])[H:7],"InChI=1S/C3H4O3/c4-2-1-6-3(2)5/h2,4H,1H2/t2-/m0/s1","InChI=1S/C3H4O3/c4-2-1-6-3(2)5/h1-2,4-5H/t2-/m0/s1",105.81333000000001,72.47524,
3056,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[O:4][C:5]1=[O:6])[H:7],[O:1]([C:2]([C:5]([O+:4]=[C-:3][H:10])=[O:6])([H:8])[H:9])[H:7],"InChI=1S/C3H4O3/c4-2-1-6-3(2)5/h2,4H,1H2/t2-/m0/s1","InChI=1S/C3H4O3/c1-6-3(5)2-4/h1,4H,2H2",67.06912,60.42123,
3057,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[O:4][C:5]1=[O:6])[H:7],[O:1]([C:2](=[C:3]([H:9])[H:10])[H:8])[H:7].[O:4]=[C:5]=[O:6],"InChI=1S/C3H4O3/c4-2-1-6-3(2)5/h2,4H,1H2/t2-/m0/s1","InChI=1S/C2H4O.CO2/c1-2-3;2-1-3/h2-3H,1H2;",29.233290000000004,-21.66601,2+2_cycloaddition
3058,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[O:4][C:5]1=[O:6])[H:7],[O:1]1[C@@:2]2([H:8])[C:3]([H:9])([H:10])[O:4][C@@:5]12[O:6][H:7],"InChI=1S/C3H4O3/c4-2-1-6-3(2)5/h2,4H,1H2/t2-/m0/s1","InChI=1S/C3H4O3/c4-3-2(6-3)1-5-3/h2,4H,1H2/t2-,3+/m0/s1",50.96015,40.51375,
3059,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[O:4][C:5]1=[O:6])[H:7],[O:1]=[C:2]([C:5]([O:4][C:3]([H:7])([H:9])[H:10])=[O:6])[H:8],"InChI=1S/C3H4O3/c4-2-1-6-3(2)5/h2,4H,1H2/t2-/m0/s1","InChI=1S/C3H4O3/c1-6-3(5)2-4/h2H,1H3",73.72411,0.64682,
3060,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[O:4][C:5]1=[O:6])[H:7],[O:1]([C:2]([C:3]([O:4][H:8])([H:9])[H:10])=[C:5]=[O:6])[H:7],"InChI=1S/C3H4O3/c4-2-1-6-3(2)5/h2,4H,1H2/t2-/m0/s1","InChI=1S/C3H4O3/c4-1-3(6)2-5/h4,6H,1H2",69.66141,19.7231,
3061,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[O:4][C:5]1=[O:6])[H:7],[O:1]([C+:2]=[C:5]([O:4][C:3]([H:8])([H:9])[H:10])[O-:6])[H:7],"InChI=1S/C3H4O3/c4-2-1-6-3(2)5/h2,4H,1H2/t2-/m0/s1","InChI=1S/C3H4O3/c1-6-3(5)2-4/h1H3,(H-,4,5)",56.43339,47.94119,
3062,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[O:4][C:5]1=[O:6])[H:7],[C:3](=[O:4])([H:9])[H:10].[O:1]([C:2](=[C:5]=[O:6])[H:8])[H:7],"InChI=1S/C3H4O3/c4-2-1-6-3(2)5/h2,4H,1H2/t2-/m0/s1","InChI=1S/C2H2O2.CH2O/c3-1-2-4;1-2/h1,3H;1H2",42.77695,38.05263,2+2_cycloaddition
3063,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[O:4][C:5]1=[O:6])[H:7],[O:1]=[C:2]([C:3]([O+:4]=[C-:5][O:6][H:7])([H:9])[H:10])[H:8],"InChI=1S/C3H4O3/c4-2-1-6-3(2)5/h2,4H,1H2/t2-/m0/s1","InChI=1S/C3H4O3/c4-1-2-6-3-5/h1,5H,2H2",50.96418,39.00373,
3064,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[O:4][C:5]1=[O:6])[H:7],[C-:5]#[O+:6].[O:1]([C:2]([C:3](=[O:4])[H:9])([H:8])[H:10])[H:7],"InChI=1S/C3H4O3/c4-2-1-6-3(2)5/h2,4H,1H2/t2-/m0/s1","InChI=1S/C2H4O2.CO/c3-1-2-4;1-2/h1,4H,2H2;",55.794169999999994,6.6423,
3065,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[O:4][C:5]1=[O:6])[H:7],[O-:1][C@@:2]1([H:8])[C:3]([H:9])([H:10])[O+:4]=[C:5]1[O:6][H:7],"InChI=1S/C3H4O3/c4-2-1-6-3(2)5/h2,4H,1H2/t2-/m0/s1","InChI=1S/C3H4O3/c4-2-1-6-3(2)5/h2,5H,1H2/t2-/m0/s1",50.96222,50.90854,
3066,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[O:4][C:5]1=[O:6])[H:7],[O:1]([C:2]1=[C:5]([O:6][H:8])[O:4][C:3]1([H:9])[H:10])[H:7],"InChI=1S/C3H4O3/c4-2-1-6-3(2)5/h2,4H,1H2/t2-/m0/s1","InChI=1S/C3H4O3/c4-2-1-6-3(2)5/h4-5H,1H2",88.93016,31.77018,ketoenol
3067,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[O:4][C:5]1=[O:6])[H:7],[C-:5]#[O+:6].[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[O:4]1)[H:7],"InChI=1S/C3H4O3/c4-2-1-6-3(2)5/h2,4H,1H2/t2-/m0/s1","InChI=1S/C2H4O2.CO/c3-2-1-4-2;1-2/h2-3H,1H2;/t2-;/m1./s1",60.09474,20.57678,
3068,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[O:4][C:5]1=[O:6])[H:7],[O:1]([C:5]([O:4][C:3]([C:2][H:8])([H:9])[H:10])=[O:6])[H:7],"InChI=1S/C3H4O3/c4-2-1-6-3(2)5/h2,4H,1H2/t2-/m0/s1","InChI=1S/C3H4O3/c1-2-6-3(4)5/h1H,2H2,(H,4,5)",67.55538,68.80228000000001,
3069,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[O:4][C:5]1=[O:6])[H:7],[O:1]([C:5]([C:2]([C:3](=[O:4])[H:9])([H:8])[H:10])=[O:6])[H:7],"InChI=1S/C3H4O3/c4-2-1-6-3(2)5/h2,4H,1H2/t2-/m0/s1","InChI=1S/C3H4O3/c4-2-1-3(5)6/h2H,1H2,(H,5,6)",76.53796,-21.60238,
3070,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[O:4][C:5]1=[O:6])[H:7],[O:1]([C:2][C:3]([O:4][C:5](=[O:6])[H:8])([H:9])[H:10])[H:7],"InChI=1S/C3H4O3/c4-2-1-6-3(2)5/h2,4H,1H2/t2-/m0/s1","InChI=1S/C3H4O3/c4-1-2-6-3-5/h3-4H,2H2",65.07786,52.87007,
3071,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[O:4][C:5]1=[O:6])[H:7],[O:1]([C:3]([C@@:2]1([H:8])[O:4][C:5]1=[O:6])([H:9])[H:10])[H:7],"InChI=1S/C3H4O3/c4-2-1-6-3(2)5/h2,4H,1H2/t2-/m0/s1","InChI=1S/C3H4O3/c4-1-2-3(5)6-2/h2,4H,1H2/t2-/m1/s1",57.79585,16.38561,
3073,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[O:4][C:5]1=[O:6])[H:7],[C:2]([C:3](=[O:4])[H:9])(=[C:5]=[O:6])[H:8].[O:1]([H:7])[H:10],"InChI=1S/C3H4O3/c4-2-1-6-3(2)5/h2,4H,1H2/t2-/m0/s1",InChI=1S/C3H2O2.H2O/c4-2-1-3-5;/h1-2H;1H2,119.7658,2.914,
3074,[C:1]1([H:6])([H:7])[C@:2]2([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C@:5]12[H:13],[C:1]1([H:6])([H:7])[C:2]([H:8])([H:13])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]1,"InChI=1S/C5H8/c1-2-5-3-4(1)5/h4-5H,1-3H2/t4-,5+",InChI=1S/C5H8/c1-2-4-5-3-1/h1-4H2,59.77795,42.32608,
3075,[C:1]1([H:6])([H:7])[C@:2]2([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C@:5]12[H:13],[C:1]([C:2]1([H:8])[C@@:3]2([H:10])[C:4]([H:11])([H:12])[C@:5]12[H:13])([H:6])([H:7])[H:9],"InChI=1S/C5H8/c1-2-5-3-4(1)5/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H8/c1-3-4-2-5(3)4/h3-5H,2H2,1H3/t4-,5-/m1/s1",96.5281,65.3868,
3076,[C:1]1([H:6])([H:7])[C@:2]2([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C@:5]12[H:13],[C:1]1([H:6])([H:7])[C@:2]([C:3]([C:4]([H:11])([H:12])[H:13])([H:9])[H:10])([H:8])[C:5]1,"InChI=1S/C5H8/c1-2-5-3-4(1)5/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H8/c1-2-5-3-4-5/h5H,2-3H2,1H3/t5-/m1/s1",70.57256,67.34893000000001,
3077,[C:1]1([H:6])([H:7])[C@:2]2([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C@:5]12[H:13],[C:1]([C@@:5]1([H:13])[C:2][C:3]([H:9])([H:10])[C:4]1([H:11])[H:12])([H:6])([H:7])[H:8],"InChI=1S/C5H8/c1-2-5-3-4(1)5/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H8/c1-5-3-2-4-5/h5H,2-3H2,1H3/t5-/m1/s1",64.69838,66.77609,
3078,[C:1]1([H:6])([H:7])[C@:2]2([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C@:5]12[H:13],[C:1]1([H:7])=[C:5]([H:13])[C:4]([H:11])([H:12])[C:3]([H:9])([H:10])[C:2]1([H:6])[H:8],"InChI=1S/C5H8/c1-2-5-3-4(1)5/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H8/c1-2-4-5-3-1/h1-2H,3-5H2",64.76239,-28.68273,
3079,[C:1]1([H:6])([H:7])[C@:2]2([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C@:5]12[H:13],[C:1]([C:5]1([H:13])[C:2]([H:7])([H:8])[C:3]([H:9])([H:10])[C:4]1([H:11])[H:12])[H:6],"InChI=1S/C5H8/c1-2-5-3-4(1)5/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H8/c1-5-3-2-4-5/h1,5H,2-4H2",65.17383000000001,68.78045,
3080,[C:1]1([H:6])([H:7])[C@:2]2([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C@:5]12[H:13],[C:1]([C:2][H:8])([C:5]1([H:13])[C:3]([H:9])([H:10])[C:4]1([H:11])[H:12])([H:6])[H:7],"InChI=1S/C5H8/c1-2-5-3-4(1)5/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H8/c1-2-5-3-4-5/h1,5H,2-4H2",71.38817,76.59914,
3081,[C:1]1([H:6])([H:7])[C@:2]2([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C@:5]12[H:13],[C:1]1([H:6])([H:7])[C@:2]([C:3][H:9])([H:8])[C@:5]1([C:4]([H:10])([H:11])[H:12])[H:13],"InChI=1S/C5H8/c1-2-5-3-4(1)5/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H8/c1-4-3-5(4)2/h1,4-5H,3H2,2H3/t4-,5+/m1/s1",75.75165,63.81746999999999,
3082,[C:1]([O:2][C:3]([C@@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]1)([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:2][H:12])([H:7])([H:8])[H:9].[C:3](=[C:4]1[C:5]([H:13])([H:14])[O:6]1)([H:10])[H:11],"InChI=1S/C4H8O2/c1-5-2-4-3-6-4/h4H,2-3H2,1H3/t4-/m0/s1","InChI=1S/C3H4O.CH4O/c1-3-2-4-3;1-2/h1-2H2;2H,1H3",68.38266,14.84414,"1,3_Insertion_ROR"
3083,[C:1]([O:2][C:3]([C@@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]1)([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:2][C:5]([O:6][C:4](=[C:3]([H:10])[H:11])[H:12])([H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-5-2-4-3-6-4/h4H,2-3H2,1H3/t4-/m0/s1","InChI=1S/C4H8O2/c1-3-6-4-5-2/h3H,1,4H2,2H3",62.51367,-14.114360000000001,
3084,[C:1]([O:2][C:3]([C@@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]1)([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:2][C:3]([C@@:4]([C:5][H:14])([O:6][H:13])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-5-2-4-3-6-4/h4H,2-3H2,1H3/t4-/m0/s1","InChI=1S/C4H8O2/c1-4(5)3-6-2/h1,4-5H,3H2,2H3/t4-/m1/s1",69.12535,68.56651,
3085,[C:1]([O:2][C:3]([C@@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]1)([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:2][C:3]([C-:4]=[O+:6][C:5]([H:12])([H:13])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-5-2-4-3-6-4/h4H,2-3H2,1H3/t4-/m0/s1","InChI=1S/C4H8O2/c1-5-3-4-6-2/h3H2,1-2H3",72.92373,45.02401,
3086,[C:1]([O:2][C:3]([C@@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]1)([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:2][C:4]1([H:12])[C:3]([H:10])([H:11])[O:6][C:5]1([H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-5-2-4-3-6-4/h4H,2-3H2,1H3/t4-/m0/s1","InChI=1S/C4H8O2/c1-5-4-2-6-3-4/h4H,2-3H2,1H3",61.42265,-0.16304000000000002,
3087,[C:1]([O:2][C:3]([C@@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]1)([H:10])[H:11])([H:7])([H:8])[H:9],[C-:4]1=[O+:6][C:5]1([H:13])[H:14].[C:1]([O:2][C:3]([H:10])([H:11])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-5-2-4-3-6-4/h4H,2-3H2,1H3/t4-/m0/s1",InChI=1S/C2H2O.C2H6O/c1-2-3-1;1-3-2/h1H2;1-2H3,73.85939,58.4982,
3088,[C:1]([O:2][C:3]([C@@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]1)([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:2][C:3]([C:4]([O+:6]=[C-:5][H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-5-2-4-3-6-4/h4H,2-3H2,1H3/t4-/m0/s1","InChI=1S/C4H8O2/c1-5-3-4-6-2/h1H,3-4H2,2H3",74.76411999999999,47.089620000000004,
3089,[C:1]([O:2][C:3]([C@@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]1)([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:2]/[C:3](=[C:4](\[C:5]([O:6][H:11])([H:13])[H:14])[H:12])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-5-2-4-3-6-4/h4H,2-3H2,1H3/t4-/m0/s1","InChI=1S/C4H8O2/c1-6-4-2-3-5/h2,4-5H,3H2,1H3/b4-2-",55.1195,-16.558220000000002,
3090,[C:1]([O:2][C:3]([C@@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]1)([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:2][C:3]([H:10])([H:11])[H:13])([H:7])([H:8])[H:9].[C:4](=[C+:5][H:14])([O-:6])[H:12],"InChI=1S/C4H8O2/c1-5-2-4-3-6-4/h4H,2-3H2,1H3/t4-/m0/s1",InChI=1S/C2H6O.C2H2O/c1-3-2;1-2-3/h1-2H3;1-2H,114.20546999999999,69.91826,
3091,[C:1]([C:2]([O:3][C:4]([C:5]#[C:6][H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([O:3][C:5]1=[C:6]([H:14])[C:4]1([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-3-5-6-4-2/h1H,4-5H2,2H3","InChI=1S/C5H8O/c1-2-6-5-3-4-5/h3H,2,4H2,1H3",69.64822,8.04352,
3092,[C:1]([C:2]([O:3][C:4]([C:5]#[C:6][H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([O:3]/[C:4](=[C:5](\[C:6][H:14])[H:13])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-3-5-6-4-2/h1H,4-5H2,2H3","InChI=1S/C5H8O/c1-3-5-6-4-2/h1,3,5H,4H2,2H3/b5-3-",56.28944,46.712559999999996,
3093,[C:1]([C:2]([O:3][C:4]([C:5]#[C:6][H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([O:3][C:6](=[C:5]=[C:4]([H:12])[H:13])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-3-5-6-4-2/h1H,4-5H2,2H3","InChI=1S/C5H8O/c1-3-5-6-4-2/h5H,1,4H2,2H3",56.91731,-8.61796,
3094,[C:1]([C:2]([O:3][C:4]([C:5]#[C:6][H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[O:3][C:4]([H:12])([H:13])[C:5]1=[C:6]([H:11])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-3-5-6-4-2/h1H,4-5H2,2H3","InChI=1S/C5H8O/c1-4-3-6-5(4)2/h5H,1,3H2,2H3/t5-/m1/s1",69.20053,-17.97927,
3095,[C:1]([C:2]([O:3][C:4]([C:5]#[C:6][H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([O:3][C:4]([C:6](=[C:5])[H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-3-5-6-4-2/h1H,4-5H2,2H3","InChI=1S/C5H8O/c1-3-5-6-4-2/h3H,4-5H2,2H3",56.773540000000004,50.41191,Singlet_Carbene_Intra_Disproportionation
3096,[C:1]([C:2]([O:3][C:4]([C:5]#[C:6][H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](=[O:3])[H:10])([H:7])([H:8])[H:9].[C:4](=[C:5]=[C:6]([H:11])[H:14])([H:12])[H:13],"InChI=1S/C5H8O/c1-3-5-6-4-2/h1H,4-5H2,2H3","InChI=1S/C3H4.C2H4O/c1-3-2;1-2-3/h1-2H2;2H,1H3",28.04022,-9.45588,Retroene
3097,[C:1]([C:2]([O:3][C:4]([C:5]#[C:6][H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C-:2](=[O+:3][C:4]([C:5]#[C:6][H:14])([H:12])[H:13])[H:10].[C:1]([H:7])([H:8])([H:9])[H:11],"InChI=1S/C5H8O/c1-3-5-6-4-2/h1H,4-5H2,2H3","InChI=1S/C4H4O.CH4/c1-3-4-5-2;/h1-2H,4H2;1H4",73.4149,64.82771,
3098,[C:1]([C:2]([O:3][C:4]([C:5]#[C:6][H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:3][C:2]([H:10])[H:11])([H:7])([H:8])[H:9].[C:4]([C:5]#[C:6][H:14])([H:12])[H:13],"InChI=1S/C5H8O/c1-3-5-6-4-2/h1H,4-5H2,2H3","InChI=1S/C3H3.C2H5O/c2*1-3-2/h1H,2H2;1H2,2H3",111.28391,72.66297,
3099,[C:1]([C:2]([O:3][C:4]([C:5]#[C:6][H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]1([H:7])([H:9])[C:2]([H:10])([H:11])[O:3][C:4]([H:12])([H:13])[C:5][C:6]1([H:8])[H:14],"InChI=1S/C5H8O/c1-3-5-6-4-2/h1H,4-5H2,2H3","InChI=1S/C5H8O/c1-2-4-6-5-3-1/h1-2,4-5H2",66.20262,36.77233,
3100,[N:1]([c:2]1[n:3][n:4]([H:9])[n:5][c:6]1[H:10])([H:7])[H:8],[N:1]([N:3]=[C:2]=[C:6]([N:5]=[N:4][H:9])[H:10])([H:7])[H:8],"InChI=1S/C2H4N4/c3-2-1-4-6-5-2/h1H,(H3,3,4,5,6)","InChI=1S/C2H4N4/c3-5-1-2-6-4/h1,3H,4H2",115.54612,65.92158,
3101,[N:1]([c:2]1[n:3][n:4]([H:9])[n:5][c:6]1[H:10])([H:7])[H:8],[N+:1]([C:2]1=[C:6]([H:10])[N:5]=[N:4][N-:3]1)([H:7])([H:8])[H:9],"InChI=1S/C2H4N4/c3-2-1-4-6-5-2/h1H,(H3,3,4,5,6)","InChI=1S/C2H3N4/c3-2-1-4-6-5-2/h1H,(H2-,3,4,5,6)/q-1/p+1",119.89806999999999,47.147909999999996,
3102,[N:1]([c:2]1[n:3][n:4]([H:9])[n:5][c:6]1[H:10])([H:7])[H:8],[N:1](=[C:2]1[N:3][N:4]([H:9])[N:5][C:6]1([H:7])[H:10])[H:8],"InChI=1S/C2H4N4/c3-2-1-4-6-5-2/h1H,(H3,3,4,5,6)","InChI=1S/C2H4N4/c3-2-1-4-6-5-2/h3,6H,1H2",80.46434,29.2686,
3103,[N:1]([c:2]1[n:3][n:4]([H:9])[n:5][c:6]1[H:10])([H:7])[H:8],[N:1]([c:2]1[n:3][n:4][n:5]([H:9])[c:6]1[H:10])([H:7])[H:8],"InChI=1S/C2H4N4/c3-2-1-4-6-5-2/h1H,(H3,3,4,5,6)","InChI=1S/C2H4N4/c3-2-1-4-6-5-2/h1H,(H3,3,4,5,6)",44.36039,7.909619999999999,
3104,[N:1]([c:2]1[n:3][n:4]([H:9])[n:5][c:6]1[H:10])([H:7])[H:8],[N:1](=[C:2]1[N-:3][N+:4]([H:7])([H:9])[N:5]=[C:6]1[H:10])[H:8],"InChI=1S/C2H4N4/c3-2-1-4-6-5-2/h1H,(H3,3,4,5,6)","InChI=1S/C2H4N4/c3-2-1-4-6-5-2/h1H,6H2,(H-,3,5)",118.15791000000002,49.27878,
3105,[N:1]([c:2]1[n:3][n:4]([H:9])[n:5][c:6]1[H:10])([H:7])[H:8],[N:1](=[c:2]1/[n:3]([H:7])[n:4]([H:9])[n:5][c:6]1[H:10])\[H:8],"InChI=1S/C2H4N4/c3-2-1-4-6-5-2/h1H,(H3,3,4,5,6)","InChI=1S/C2H4N4/c3-2-1-4-6-5-2/h1H,(H3,3,4,5,6)",61.98081,23.08918,
3106,[N:1]([c:2]1[n:3][n:4]([H:9])[n:5][c:6]1[H:10])([H:7])[H:8],[N:1]([C:2]([N:3]=[N:4][H:9])=[C:6]=[N:5][H:10])([H:7])[H:8],"InChI=1S/C2H4N4/c3-2-1-4-6-5-2/h1H,(H3,3,4,5,6)","InChI=1S/C2H4N4/c3-1-2(4)6-5/h3,5H,4H2",77.81345,43.11805,
3107,[N:1]([c:2]1[n:3][n:4]([H:9])[n:5][c:6]1[H:10])([H:7])[H:8],[N-:4]([N+:5]#[C:6][H:10])[H:9].[N:1]([C:2]#[N:3])([H:7])[H:8],"InChI=1S/C2H4N4/c3-2-1-4-6-5-2/h1H,(H3,3,4,5,6)",InChI=1S/2CH2N2/c1-3-2;2-1-3/h1-2H;2H2,65.00116,53.4559,
3108,[N:1]([c:2]1[n:3][n:4]([H:9])[n:5][c:6]1[H:10])([H:7])[H:8],[N:1]([c:2]1[n:3]([H:9])[n:4][n:5][c:6]1[H:10])([H:7])[H:8],"InChI=1S/C2H4N4/c3-2-1-4-6-5-2/h1H,(H3,3,4,5,6)","InChI=1S/C2H4N4/c3-2-1-4-6-5-2/h1H,(H3,3,4,5,6)",44.995,9.69559,
3109,[N:1]([c:2]1[n:3][n:4]([H:9])[n:5][c:6]1[H:10])([H:7])[H:8],[H:8][H:10].[N:1](=[C:2](\[N:3]=[N:4]\[H:9])[C:6]#[N:5])\[H:7],"InChI=1S/C2H4N4/c3-2-1-4-6-5-2/h1H,(H3,3,4,5,6)","InChI=1S/C2H2N4.H2/c3-1-2(4)6-5;/h4-5H;1H/b4-2-,6-5+;",113.51756,52.77561,
3110,[N:1]([c:2]1[n:3][n:4]([H:9])[n:5][c:6]1[H:10])([H:7])[H:8],[N:1]([C@:2]1(/[N:3]=[N:4]/[H:9])[N:5]=[C:6]1[H:10])([H:7])[H:8],"InChI=1S/C2H4N4/c3-2-1-4-6-5-2/h1H,(H3,3,4,5,6)","InChI=1S/C2H4N4/c3-2(6-4)1-5-2/h1,4H,3H2/b6-4+/t2-/m0/s1",62.83166,61.88717,
3111,[N:1]([c:2]1[n:3][n:4]([H:9])[n:5][c:6]1[H:10])([H:7])[H:8],[N:1]([C@:2](/[N:3]=[N:4]/[H:9])([C:6]#[N:5])[H:10])([H:7])[H:8],"InChI=1S/C2H4N4/c3-2-1-4-6-5-2/h1H,(H3,3,4,5,6)","InChI=1S/C2H4N4/c3-1-2(4)6-5/h2,5H,4H2/b6-5+/t2-/m1/s1",87.07821,32.8629,
3112,[N:1]([c:2]1[n:3][n:4]([H:9])[n:5][c:6]1[H:10])([H:7])[H:8],[N:1]([C:2]1=[N:3][C@@:6]1(/[N:5]=[N:4]/[H:9])[H:10])([H:7])[H:8],"InChI=1S/C2H4N4/c3-2-1-4-6-5-2/h1H,(H3,3,4,5,6)","InChI=1S/C2H4N4/c3-1-2(5-1)6-4/h2,4H,(H2,3,5)/b6-4+/t2-/m1/s1",64.28563,50.94812,
3113,[N:1]([c:2]1[n:3][n:4]([H:9])[n:5][c:6]1[H:10])([H:7])[H:8],[N:1]([C:2]#[N+:3][N-:4][H:9])([H:7])[H:8].[N:5]#[C:6][H:10],"InChI=1S/C2H4N4/c3-2-1-4-6-5-2/h1H,(H3,3,4,5,6)","InChI=1S/CH3N3.CHN/c2-1-4-3;1-2/h3H,2H2;1H",60.378440000000005,54.20341,
3114,[N:1]([c:2]1[n:3][n:4]([H:9])[n:5][c:6]1[H:10])([H:7])[H:8],[N:1]([C:2]1=[C+:6][N:5]([H:10])[N:4]([H:9])[N-:3]1)([H:7])[H:8],"InChI=1S/C2H4N4/c3-2-1-4-6-5-2/h1H,(H3,3,4,5,6)","InChI=1S/C2H4N4/c3-2-1-4-6-5-2/h4,6H,3H2",77.81213000000001,49.2182,
3115,[N:1]([c:2]1[n:3][n:4]([H:9])[n:5][c:6]1[H:10])([H:7])[H:8],[N+:1]([C:2]1=[C:6]=[N:5][N:4]([H:9])[N-:3]1)([H:7])([H:8])[H:10],"InChI=1S/C2H4N4/c3-2-1-4-6-5-2/h1H,(H3,3,4,5,6)","InChI=1S/C2H3N4/c3-2-1-4-6-5-2/h6H,3H2/q-1/p+1",82.11766999999999,76.64553000000001,
3116,[N:1]([c:2]1[n:3][n:4]([H:9])[n:5][c:6]1[H:10])([H:7])[H:8],[N:1]([C+:2]/[C:6](=[N:5]/[N:4]([N-:3])[H:9])[H:10])([H:7])[H:8],"InChI=1S/C2H4N4/c3-2-1-4-6-5-2/h1H,(H3,3,4,5,6)","InChI=1S/C2H4N4/c3-1-2-5-6-4/h2,6H,3H2",111.67673,96.53569,
3117,[N:1]([c:2]1[n:3][n:4]([H:9])[n:5][c:6]1[H:10])([H:7])[H:8],[H:7][H:9].[N:1](=[C:2]1\[N:3]=[N:4][N:5]=[C:6]1[H:10])\[H:8],"InChI=1S/C2H4N4/c3-2-1-4-6-5-2/h1H,(H3,3,4,5,6)","InChI=1S/C2H2N4.H2/c3-2-1-4-6-5-2;/h1,3H;1H/b3-2-;",122.36416000000001,58.68266,
3118,[C:1](/[N:2]=[C:3](\[O:4][C:5](=[O:6])[H:11])[H:10])([H:7])([H:8])[H:9],[C:1]([O:4][C:5](=[O:6])[H:11])([H:7])([H:8])[H:9].[N:2]#[C:3][H:10],"InChI=1S/C3H5NO2/c1-4-2-6-3-5/h2-3H,1H3/b4-2-","InChI=1S/C2H4O2.CHN/c1-4-2-3;1-2/h2H,1H3;1H",79.19984000000001,16.12531,
3119,[C:1](/[N:2]=[C:3](\[O:4][C:5](=[O:6])[H:11])[H:10])([H:7])([H:8])[H:9],[C:1](=[N:2][C:3](=[O:4])[H:10])([H:7])[H:9].[C:5](=[O:6])([H:8])[H:11],"InChI=1S/C3H5NO2/c1-4-2-6-3-5/h2-3H,1H3/b4-2-","InChI=1S/C2H3NO.CH2O/c1-3-2-4;1-2/h2H,1H2;1H2",39.87855,30.0249,
3120,[C:1](/[N:2]=[C:3](\[O:4][C:5](=[O:6])[H:11])[H:10])([H:7])([H:8])[H:9],[C:1]([N:2]([C-:3]=[O+:4][C:5](=[O:6])[H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C3H5NO2/c1-4-2-6-3-5/h2-3H,1H3/b4-2-","InChI=1S/C3H5NO2/c1-4-2-6-3-5/h3-4H,1H3",72.00779,32.690490000000004,
3121,[C:1](/[N:2]=[C:3](\[O:4][C:5](=[O:6])[H:11])[H:10])([H:7])([H:8])[H:9],[C:1]([N:2]([C:3](=[O:4])[H:10])[C:5](=[O:6])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C3H5NO2/c1-4-2-6-3-5/h2-3H,1H3/b4-2-","InChI=1S/C3H5NO2/c1-4(2-5)3-6/h2-3H,1H3",19.57757,-15.66802,ketoenol
3122,[C:1](/[N:2]=[C:3](\[O:4][C:5](=[O:6])[H:11])[H:10])([H:7])([H:8])[H:9],[C:1](/[N:2]=[C:3](\[O+:4]=[C-:5][O:6][H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C3H5NO2/c1-4-2-6-3-5/h2-3H,1H3/b4-2-","InChI=1S/C3H5NO2/c1-4-2-6-3-5/h2,5H,1H3/b4-2-",77.39733000000001,45.84617,
3123,[C:1](/[N:2]=[C:3](\[O:4][C:5](=[O:6])[H:11])[H:10])([H:7])([H:8])[H:9],[C-:1]([N:2]([C:3](=[O+:4][C:5](=[O:6])[H:11])[H:10])[H:8])([H:7])[H:9],"InChI=1S/C3H5NO2/c1-4-2-6-3-5/h2-3H,1H3/b4-2-","InChI=1S/C3H5NO2/c1-4-2-6-3-5/h2-4H,1H2",68.14979,37.50662,
3124,[C:1](/[N:2]=[C:3](\[O:4][C:5](=[O:6])[H:11])[H:10])([H:7])([H:8])[H:9],[C:1]([N+:2]#[C-:3])([H:7])([H:8])[H:9].[O:4]=[C:5]([O:6][H:10])[H:11],"InChI=1S/C3H5NO2/c1-4-2-6-3-5/h2-3H,1H3/b4-2-","InChI=1S/C2H3N.CH2O2/c1-3-2;2-1-3/h1H3;1H,(H,2,3)",27.084940000000003,17.9678,
3125,[C:1](/[N:2]=[C:3](\[O:4][C:5](=[O:6])[H:11])[H:10])([H:7])([H:8])[H:9],[C:1]([N:2]=[C:3]=[O:4])([H:7])([H:8])[H:9].[C:5](=[O:6])([H:10])[H:11],"InChI=1S/C3H5NO2/c1-4-2-6-3-5/h2-3H,1H3/b4-2-",InChI=1S/C2H3NO.CH2O/c1-3-2-4;1-2/h1H3;1H2,54.81364,8.015139999999999,
3126,[C:1](/[N:2]=[C:3](\[O:4][C:5](=[O:6])[H:11])[H:10])([H:7])([H:8])[H:9],[C:1](=[N:2][C:3]([O:4][C:5](=[O:6])[H:11])([H:8])[H:10])([H:7])[H:9],"InChI=1S/C3H5NO2/c1-4-2-6-3-5/h2-3H,1H3/b4-2-","InChI=1S/C3H5NO2/c1-4-2-6-3-5/h3H,1-2H2",77.60445,8.26319,
3127,[C:1](/[N:2]=[C:3](\[O:4][C:5](=[O:6])[H:11])[H:10])([H:7])([H:8])[H:9],[C:1]([N:2]=[C:3]([H:10])[H:11])([H:7])([H:8])[H:9].[O:4]=[C:5]=[O:6],"InChI=1S/C3H5NO2/c1-4-2-6-3-5/h2-3H,1H3/b4-2-","InChI=1S/C2H5N.CO2/c1-3-2;2-1-3/h1H2,2H3;",43.57245,-13.770979999999998,"1,3_Insertion_CO2"
3128,[C:1](/[N:2]=[C:3](\[O:4][C:5](=[O:6])[H:11])[H:10])([H:7])([H:8])[H:9],[C-:5]#[O+:6].[C:1]([N:2]([C:3](=[O:4])[H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C3H5NO2/c1-4-2-6-3-5/h2-3H,1H3/b4-2-","InChI=1S/C2H5NO.CO/c1-3-2-4;1-2/h2H,1H3,(H,3,4);",46.68291,-8.51165,
3129,[C:1](/[N:2]=[C:3](\[O:4][C:5](=[O:6])[H:11])[H:10])([H:7])([H:8])[H:9],[C-:5]#[O+:6].[C:1](/[N:2]=[C:3](\[O:4][H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C3H5NO2/c1-4-2-6-3-5/h2-3H,1H3/b4-2-","InChI=1S/C2H5NO.CO/c1-3-2-4;1-2/h2H,1H3,(H,3,4);",55.0215,5.19571,"1,2_Insertion_CO"
3130,[C:1]1([H:6])([H:7])[C@@:2]2([H:8])[C:3]([H:9])([H:10])[O:4][C@@:5]12[H:11],[C:1]1([H:6])([H:7])[C:2]([H:8])([H:9])[C:5]1([O+:4]=[C-:3][H:10])[H:11],"InChI=1S/C4H6O/c1-3-2-5-4(1)3/h3-4H,1-2H2/t3-,4-/m0/s1","InChI=1S/C4H6O/c1-5-4-2-3-4/h1,4H,2-3H2",77.26073000000001,42.31997,
3131,[C:1]1([H:6])([H:7])[C@@:2]2([H:8])[C:3]([H:9])([H:10])[O:4][C@@:5]12[H:11],[C:1]1([H:6])([H:7])[C:2]([H:8])([H:11])[C:3]([H:9])([H:10])[O+:4]=[C-:5]1,"InChI=1S/C4H6O/c1-3-2-5-4(1)3/h3-4H,1-2H2/t3-,4-/m0/s1",InChI=1S/C4H6O/c1-2-4-5-3-1/h1-3H2,53.14114,4.79978,
3132,[C:1]1([H:6])([H:7])[C@@:2]2([H:8])[C:3]([H:9])([H:10])[O:4][C@@:5]12[H:11],[C:1]1([H:6])([H:7])[C@@:2]2([H:8])[C-:3]=[O+:4][C@@:5]12[H:11].[H:9][H:10],"InChI=1S/C4H6O/c1-3-2-5-4(1)3/h3-4H,1-2H2/t3-,4-/m0/s1","InChI=1S/C4H4O.H2/c1-3-2-5-4(1)3;/h3-4H,1H2;1H/t3-,4-;/m0./s1",77.59482,71.76361999999999,
3133,[C:1]1([H:6])([H:7])[C@@:2]2([H:8])[C:3]([H:9])([H:10])[O:4][C@@:5]12[H:11],[C:1]([C:2]1=[C:5]([H:11])[O:4][C:3]1([H:9])[H:10])([H:6])([H:7])[H:8],"InChI=1S/C4H6O/c1-3-2-5-4(1)3/h3-4H,1-2H2/t3-,4-/m0/s1","InChI=1S/C4H6O/c1-4-2-5-3-4/h2H,3H2,1H3",59.951840000000004,-12.4092,
3134,[C:1]1([H:6])([H:7])[C@@:2]2([H:8])[C:3]([H:9])([H:10])[O:4][C@@:5]12[H:11],[C:1]1([H:6])=[C:5]([H:11])[O:4][C:3]([H:9])([H:10])[C:2]1([H:7])[H:8],"InChI=1S/C4H6O/c1-3-2-5-4(1)3/h3-4H,1-2H2/t3-,4-/m0/s1","InChI=1S/C4H6O/c1-2-4-5-3-1/h1,3H,2,4H2",61.26851,-34.184670000000004,
3135,[C:1]1([H:6])([H:7])[C@@:2]2([H:8])[C:3]([H:9])([H:10])[O:4][C@@:5]12[H:11],[C:1]1([H:6])([H:7])[C:2][C:3]([H:9])([H:10])[O:4][C:5]1([H:8])[H:11],"InChI=1S/C4H6O/c1-3-2-5-4(1)3/h3-4H,1-2H2/t3-,4-/m0/s1","InChI=1S/C4H6O/c1-2-4-5-3-1/h1,3-4H2",60.3978,37.735640000000004,
3136,[C:1]1([H:6])([H:7])[C@@:2]2([H:8])[C:3]([H:9])([H:10])[O:4][C@@:5]12[H:11],[C:1]1([H:6])([H:7])[C@:2]([C:3]([O:4][H:11])([H:9])[H:10])([H:8])[C:5]1,"InChI=1S/C4H6O/c1-3-2-5-4(1)3/h3-4H,1-2H2/t3-,4-/m0/s1","InChI=1S/C4H6O/c5-3-4-1-2-4/h4-5H,1,3H2/t4-/m1/s1",62.87067,57.58874,
3137,[C:1]1([H:6])([H:7])[C@@:2]2([H:8])[C:3]([H:9])([H:10])[O:4][C@@:5]12[H:11],[C:1]1([H:6])([H:7])[C@@:2]2([H:8])[C-:3]([H:9])[O+:4]=[C:5]12.[H:10][H:11],"InChI=1S/C4H6O/c1-3-2-5-4(1)3/h3-4H,1-2H2/t3-,4-/m0/s1","InChI=1S/C4H4O.H2/c1-3-2-5-4(1)3;/h2-3H,1H2;1H/t3-;/m0./s1",88.2124,65.94322,
3138,[C:1]1([H:6])([H:7])[C@@:2]2([H:8])[C:3]([H:9])([H:10])[O:4][C@@:5]12[H:11],[C:1](=[C:2]([C@@:5]1([H:11])[C:3]([H:9])([H:10])[O:4]1)[H:8])([H:6])[H:7],"InChI=1S/C4H6O/c1-3-2-5-4(1)3/h3-4H,1-2H2/t3-,4-/m0/s1","InChI=1S/C4H6O/c1-2-4-3-5-4/h2,4H,1,3H2/t4-/m0/s1",60.52006,-13.29386,
3139,[C:1]1([H:6])([H:7])[C@@:2]2([H:8])[C:3]([H:9])([H:10])[O:4][C@@:5]12[H:11],[C:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[O+:4]=[C-:5]1)([H:6])([H:7])[H:11],"InChI=1S/C4H6O/c1-3-2-5-4(1)3/h3-4H,1-2H2/t3-,4-/m0/s1","InChI=1S/C4H6O/c1-4-2-5-3-4/h4H,2H2,1H3/t4-/m0/s1",47.336909999999996,26.826179999999997,
3140,[C:1]1([H:6])([H:7])[C@@:2]2([H:8])[C:3]([H:9])([H:10])[O:4][C@@:5]12[H:11],[C:1]([C:2](=[C:3]([H:9])[H:10])[H:8])([C:5](=[O:4])[H:11])([H:6])[H:7],"InChI=1S/C4H6O/c1-3-2-5-4(1)3/h3-4H,1-2H2/t3-,4-/m0/s1","InChI=1S/C4H6O/c1-2-3-4-5/h2,4H,1,3H2",27.831909999999997,-34.34299,
3141,[C:1]1([H:6])([H:7])[C@@:2]2([H:8])[C:3]([H:9])([H:10])[O:4][C@@:5]12[H:11],[C:1]1([H:6])([H:7])[C:2]([H:8])=[C:5]1[H:11].[C:3](=[O:4])([H:9])[H:10],"InChI=1S/C4H6O/c1-3-2-5-4(1)3/h3-4H,1-2H2/t3-,4-/m0/s1","InChI=1S/C3H4.CH2O/c1-2-3-1;1-2/h1-2H,3H2;1H2",61.34222,24.644289999999998,2+2_cycloaddition
3142,[C:1]1([H:6])([H:7])[C@@:2]2([H:8])[C:3]([H:9])([H:10])[O:4][C@@:5]12[H:11],[C:1]([C@@:5]1([H:11])[C:2][C:3]([H:9])([H:10])[O:4]1)([H:6])([H:7])[H:8],"InChI=1S/C4H6O/c1-3-2-5-4(1)3/h3-4H,1-2H2/t3-,4-/m0/s1","InChI=1S/C4H6O/c1-4-2-3-5-4/h4H,3H2,1H3/t4-/m0/s1",59.95221,58.224869999999996,
3143,[C:1]1([H:6])([H:7])[C@@:2]2([H:8])[C:3]([H:9])([H:10])[O:4][C@@:5]12[H:11],[C:1]([C:2]1([H:8])[C-:3]([H:10])[O+:4]=[C:5]1[H:11])([H:6])([H:7])[H:9],"InChI=1S/C4H6O/c1-3-2-5-4(1)3/h3-4H,1-2H2/t3-,4-/m0/s1","InChI=1S/C4H6O/c1-4-2-5-3-4/h2-4H,1H3",73.51018,34.4763,
3144,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@@:3]3([H:10])[C@:4]1([H:11])[C:5]([H:12])([H:13])[N:6]23,[C:1](=[C:2]([N:6]1[C:3]([H:10])=[C:4]([H:11])[C:5]1([H:12])[H:13])[H:9])([H:7])[H:8],"InChI=1S/C5H7N/c1-3-2-6-4(1)5(3)6/h3-5H,1-2H2/t3-,4-,5+,6?/m0/s1","InChI=1S/C5H7N/c1-2-6-4-3-5-6/h2-4H,1,5H2",47.60601,-18.628079999999997,
3145,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@@:3]3([H:10])[C@:4]1([H:11])[C:5]([H:12])([H:13])[N:6]23,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C-:3]3[C@:4]1([H:11])[C:5]([H:12])([H:13])[N+:6]23[H:10],"InChI=1S/C5H7N/c1-3-2-6-4(1)5(3)6/h3-5H,1-2H2/t3-,4-,5+,6?/m0/s1","InChI=1S/C5H7N/c1-3-2-6-4(1)5(3)6/h3-4,6H,1-2H2/t3-,4-/m0/s1",49.73768,43.49613,
3146,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@@:3]3([H:10])[C@:4]1([H:11])[C:5]([H:12])([H:13])[N:6]23,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[N:6]2[C:5]([H:12])([H:13])[C:4]1,"InChI=1S/C5H7N/c1-3-2-6-4(1)5(3)6/h3-5H,1-2H2/t3-,4-,5+,6?/m0/s1","InChI=1S/C5H7N/c1-2-5-4-6(5)3-1/h5H,2-4H2/t5-,6?/m0/s1",65.46916,39.93936,
3147,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@@:3]3([H:10])[C@:4]1([H:11])[C:5]([H:12])([H:13])[N:6]23,[C:1]1([H:7])([H:8])[C:2][C@@:3]2([H:10])[C@:4]1([H:11])[C:5]([H:12])([H:13])[N:6]2[H:9],"InChI=1S/C5H7N/c1-3-2-6-4(1)5(3)6/h3-5H,1-2H2/t3-,4-,5+,6?/m0/s1","InChI=1S/C5H7N/c1-2-5-4(1)3-6-5/h4-6H,1,3H2/t4-,5-/m0/s1",51.90833,52.655719999999995,
3148,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@@:3]3([H:10])[C@:4]1([H:11])[C:5]([H:12])([H:13])[N:6]23,[C:1]1([H:7])=[C:4]([H:11])[C@:3]([N:6]=[C:5]([H:12])[H:13])([H:10])[C:2]1([H:8])[H:9],"InChI=1S/C5H7N/c1-3-2-6-4(1)5(3)6/h3-5H,1-2H2/t3-,4-,5+,6?/m0/s1","InChI=1S/C5H7N/c1-6-5-3-2-4-5/h2-3,5H,1,4H2/t5-/m1/s1",64.05256,-22.45637,
3149,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@@:3]3([H:10])[C@:4]1([H:11])[C:5]([H:12])([H:13])[N:6]23,[C:1]1([H:7])([H:8])[C:2]([H:9])=[N:6][C:5]([H:12])([H:13])[C@:4]1([C:3][H:10])[H:11],"InChI=1S/C5H7N/c1-3-2-6-4(1)5(3)6/h3-5H,1-2H2/t3-,4-,5+,6?/m0/s1","InChI=1S/C5H7N/c1-5-2-3-6-4-5/h1,3,5H,2,4H2/t5-/m0/s1",44.50878,28.68048,
3150,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@@:3]3([H:10])[C@:4]1([H:11])[C:5]([H:12])([H:13])[N:6]23,[C:1]([C@@:2]1([H:9])[C:3]([H:10])=[N:6]1)([C:4](=[C:5]([H:12])[H:13])[H:11])([H:7])[H:8],"InChI=1S/C5H7N/c1-3-2-6-4(1)5(3)6/h3-5H,1-2H2/t3-,4-,5+,6?/m0/s1","InChI=1S/C5H7N/c1-2-3-5-4-6-5/h2,4-5H,1,3H2/t5-/m0/s1",44.62961,-13.76361,
3151,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@@:3]3([H:10])[C@:4]1([H:11])[C:5]([H:12])([H:13])[N:6]23,[C:1]([C@@:2]1([H:9])[C@@:3]2([H:10])[C:4]([H:8])([H:11])[C:5]([H:12])([H:13])[N:6]12)[H:7],"InChI=1S/C5H7N/c1-3-2-6-4(1)5(3)6/h3-5H,1-2H2/t3-,4-,5+,6?/m0/s1","InChI=1S/C5H7N/c1-4-5-2-3-6(4)5/h1,4-5H,2-3H2/t4-,5+,6?/m0/s1",75.87644,63.559819999999995,
3152,[C:1](/[N:2]=[C:3]1/[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[O:6]1)([H:7])([H:8])[H:9],[C:1]([N:2]=[C:3]=[C:4]([H:10])[H:11])([H:7])([H:8])[H:9].[C:5](=[O:6])([H:12])[H:13],"InChI=1S/C4H7NO/c1-5-4-2-3-6-4/h2-3H2,1H3/b5-4-","InChI=1S/C3H5N.CH2O/c1-3-4-2;1-2/h1H2,2H3;1H2",46.34393,24.26397,2+2_cycloaddition
3153,[C:1](/[N:2]=[C:3]1/[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[O:6]1)([H:7])([H:8])[H:9],[C:1]([N:2]=[C:3]=[O:6])([H:7])([H:8])[H:9].[C:4](=[C:5]([H:12])[H:13])([H:10])[H:11],"InChI=1S/C4H7NO/c1-5-4-2-3-6-4/h2-3H2,1H3/b5-4-",InChI=1S/C2H3NO.C2H4/c1-3-2-4;1-2/h1H3;1-2H2,41.20519,-7.83535,2+2_cycloaddition
3154,[C:1](/[N:2]=[C:3]1/[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[O:6]1)([H:7])([H:8])[H:9],[C:1]([N+:2]#[C-:3])([H:7])([H:8])[H:9].[C:4]1([H:10])([H:11])[C:5]([H:12])([H:13])[O:6]1,"InChI=1S/C4H7NO/c1-5-4-2-3-6-4/h2-3H2,1H3/b5-4-",InChI=1S/C2H3N.C2H4O/c1-3-2;1-2-3-1/h1H3;1-2H2,86.86831,44.80332,
3155,[C:1](/[N:2]=[C:3]1/[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[O:6]1)([H:7])([H:8])[H:9],[C:1](=[N:2][C:3]([C:4]([H:9])([H:10])[H:11])=[O+:6][C-:5]([H:12])[H:13])([H:7])[H:8],"InChI=1S/C4H7NO/c1-5-4-2-3-6-4/h2-3H2,1H3/b5-4-","InChI=1S/C4H7NO/c1-4(5-2)6-3/h2-3H2,1H3",78.80808,41.2452,
3156,[C:1](/[N:2]=[C:3]1/[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[O:6]1)([H:7])([H:8])[H:9],[C:1](=[N:2][C@:3]1([H:9])[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[O:6]1)([H:7])[H:8],"InChI=1S/C4H7NO/c1-5-4-2-3-6-4/h2-3H2,1H3/b5-4-","InChI=1S/C4H7NO/c1-5-4-2-3-6-4/h4H,1-3H2/t4-/m0/s1",92.12495,17.333920000000003,
3157,[C:1](/[N:2]=[C:3]1/[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[O:6]1)([H:7])([H:8])[H:9],[C:1](=[N:2][C:3]1=[C:4]([H:11])[C:5]([H:12])([H:13])[O:6]1)([H:7])[H:8].[H:9][H:10],"InChI=1S/C4H7NO/c1-5-4-2-3-6-4/h2-3H2,1H3/b5-4-","InChI=1S/C4H5NO.H2/c1-5-4-2-3-6-4;/h2H,1,3H2;1H",77.09642,42.08384,
3158,[C:1](/[N:2]=[C:3]1/[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[O:6]1)([H:7])([H:8])[H:9],[C:1]([N:2]([C:3]1=[C:4]([H:10])[C:5]([H:12])([H:13])[O:6]1)[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-5-4-2-3-6-4/h2-3H2,1H3/b5-4-","InChI=1S/C4H7NO/c1-5-4-2-3-6-4/h2,5H,3H2,1H3",79.44679000000001,18.79545,
3159,[C:1](/[N:2]=[C:3]1/[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[O:6]1)([H:7])([H:8])[H:9],[C-:1]([N:2]([C:3]1=[O+:6][C:5]([H:12])([H:13])[C:4]1([H:10])[H:11])[H:9])([H:7])[H:8],"InChI=1S/C4H7NO/c1-5-4-2-3-6-4/h2-3H2,1H3/b5-4-","InChI=1S/C4H7NO/c1-5-4-2-3-6-4/h5H,1-3H2",74.8013,49.90606,
3160,[C:1](/[N:2]=[C:3]1/[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[O:6]1)([H:7])([H:8])[H:9],[C:1](=[N:2][C@:3]12[C:4]([H:10])([H:11])[C@@:5]1([H:13])[O:6]2)([H:7])[H:8].[H:9][H:12],"InChI=1S/C4H7NO/c1-5-4-2-3-6-4/h2-3H2,1H3/b5-4-","InChI=1S/C4H5NO.H2/c1-5-4-2-3(4)6-4;/h3H,1-2H2;1H/t3-,4+;/m1./s1",98.87689,71.85151,
3161,[C:1](/[N:2]=[C:3]1/[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[O:6]1)([H:7])([H:8])[H:9],[C:1](=[N+:2]=[C-:3][O:6][C:5]([C:4]([H:9])([H:10])[H:11])([H:12])[H:13])([H:7])[H:8],"InChI=1S/C4H7NO/c1-5-4-2-3-6-4/h2-3H2,1H3/b5-4-","InChI=1S/C4H7NO/c1-3-6-4-5-2/h2-3H2,1H3",81.6995,30.40953,
3162,[C:1](/[N:2]=[C:3]1/[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[O:6]1)([H:7])([H:8])[H:9],[C:1](/[N:2]=[C:3]1/[C:4]([H:10])([H:11])[C-:5]=[O+:6]1)([H:7])([H:8])[H:9].[H:12][H:13],"InChI=1S/C4H7NO/c1-5-4-2-3-6-4/h2-3H2,1H3/b5-4-","InChI=1S/C4H5NO.H2/c1-5-4-2-3-6-4;/h2H2,1H3;1H/b5-4-;",83.38217,76.65652,
3163,[C:1](/[N:2]=[C:3]1/[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[O:6]1)([H:7])([H:8])[H:9],[C:1]([N:2]1[C:3]([O:6][C:5]([H:10])([H:12])[H:13])=[C:4]1[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-5-4-2-3-6-4/h2-3H2,1H3/b5-4-","InChI=1S/C4H7NO/c1-5-3-4(5)6-2/h3H,1-2H3",78.13006,65.77951999999999,
3164,[C:1]([C:2]([N:3]([C:4]([C:5]#[N:6])([H:13])[H:14])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](/[C:2](=[N:3]/[H:12])[H:10])([H:7])([H:8])[H:9].[C:4](=[C:5]=[N:6][H:11])([H:13])[H:14],"InChI=1S/C4H8N2/c1-2-6-4-3-5/h6H,2,4H2,1H3","InChI=1S/C2H5N.C2H3N/c2*1-2-3/h2-3H,1H3;3H,1H2/b3-2+;",48.89588,24.75395,Retroene
3165,[C:1]([C:2]([N:3]([C:4]([C:5]#[N:6])([H:13])[H:14])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([N:3]=[C:4]([H:13])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9].[C:5]=[N:6][H:12],"InChI=1S/C4H8N2/c1-2-6-4-3-5/h6H,2,4H2,1H3","InChI=1S/C3H7N.CHN/c1-3-4-2;1-2/h2-3H2,1H3;2H",51.59233,41.550540000000005,
3166,[C:1]([C:2]([N:3]([C:4]([C:5]#[N:6])([H:13])[H:14])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([N:3]([C:5]1=[N:6][C:4]1([H:13])[H:14])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H8N2/c1-2-6-4-3-5/h6H,2,4H2,1H3","InChI=1S/C4H8N2/c1-2-5-4-3-6-4/h2-3H2,1H3,(H,5,6)",81.08098000000001,25.61809,
3167,[C:1]([C:2]([N:3]([C:4]([C:5]#[N:6])([H:13])[H:14])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C:4]([H:13])([H:14])[C:5][N:6]1[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H8N2/c1-2-6-4-3-5/h6H,2,4H2,1H3","InChI=1S/C4H8N2/c1-4-5-2-3-6-4/h4-6H,2H2,1H3/t4-/m0/s1",64.66356999999999,39.49391,
3168,[C:1]([C:2]([N:3]([C:4]([C:5]#[N:6])([H:13])[H:14])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([N+:3]([C-:4]([C:5]#[N:6])[H:13])([H:12])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H8N2/c1-2-6-4-3-5/h6H,2,4H2,1H3","InChI=1S/C4H8N2/c1-2-6-4-3-5/h4H,2,6H2,1H3",65.04567,42.9154,
3169,[C:1]([C:2]([N:3]([C:4]([C:5]#[N:6])([H:13])[H:14])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([N:3]([N:6]=[C:5]=[C:4]([H:13])[H:14])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H8N2/c1-2-6-4-3-5/h6H,2,4H2,1H3","InChI=1S/C4H8N2/c1-3-5-6-4-2/h6H,1,4H2,2H3",78.27203,36.855959999999996,
3170,[C:1]([C:2]([N:3]([C:4]([C:5]#[N:6])([H:13])[H:14])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:11].[C:2]([N:3]([C:4]([C:5]#[N:6])([H:13])[H:14])[H:12])[H:10],"InChI=1S/C4H8N2/c1-2-6-4-3-5/h6H,2,4H2,1H3","InChI=1S/C3H4N2.CH4/c1-5-3-2-4;/h1,5H,3H2;1H4",69.36431999999999,57.518640000000005,
3171,[C:1]([C:2]([N:3]([C:4]([C:5]#[N:6])([H:13])[H:14])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]([H:10])[H:11])([H:7])[H:8].[C:5](#[N:6])[H:9].[N:3](=[C:4]([H:13])[H:14])[H:12],"InChI=1S/C4H8N2/c1-2-6-4-3-5/h6H,2,4H2,1H3","InChI=1S/C2H4.CH3N.CHN/c3*1-2/h1-2H2;2H,1H2;1H",67.27124,42.36332,
3172,[C:1]([C:2]([N:3]([C:4]([C:5]#[N:6])([H:13])[H:14])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([N:3]([C:4]([N+:6]#[C-:5])([H:13])[H:14])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H8N2/c1-2-6-4-3-5/h6H,2,4H2,1H3","InChI=1S/C4H8N2/c1-3-6-4-5-2/h6H,3-4H2,1H3",43.35941,22.95681,
3173,[C:1]([C:2]([N:3]([C:4]([C:5]#[N:6])([H:13])[H:14])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](/[C:2](=[N:3]/[C:4]([C:5]#[N:6])([H:13])[H:14])[H:10])([H:7])([H:8])[H:11].[H:9][H:12],"InChI=1S/C4H8N2/c1-2-6-4-3-5/h6H,2,4H2,1H3","InChI=1S/C4H6N2.H2/c1-2-6-4-3-5;/h2H,4H2,1H3;1H/b6-2+;",89.57864000000001,20.1461,
3174,[C:1]([C:2]([N:3]([C:4]([C:5]#[N:6])([H:13])[H:14])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C-:2]([N+:3]([C:4]([C:5]#[N:6])([H:13])[H:14])([H:11])[H:12])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H8N2/c1-2-6-4-3-5/h6H,2,4H2,1H3","InChI=1S/C4H8N2/c1-2-6-4-3-5/h2H,4,6H2,1H3",81.18991,69.34597,
3175,[C:1]([C:2]([N:3]([C:4]([C:5]#[N:6])([H:13])[H:14])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([N+:6]#[C:5][C:4]([N:3]([C-:2]([H:10])[H:11])[H:12])([H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C4H8N2/c1-2-6-4-3-5/h6H,2,4H2,1H3","InChI=1S/C4H8N2/c1-5-3-4-6-2/h5H,1,3H2,2H3",86.20343000000001,75.65272,
3176,[C:1]([C:2]([N:3]([C:4]([C:5]#[N:6])([H:13])[H:14])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C+:2]([N:3]([C:4](=[C:5]=[N-:6])[H:13])[H:12])[H:10])([H:7])([H:8])[H:9].[H:11][H:14],"InChI=1S/C4H8N2/c1-2-6-4-3-5/h6H,2,4H2,1H3","InChI=1S/C4H6N2.H2/c1-2-6-4-3-5;/h2,4,6H,1H3;1H",49.90597,38.86273,
3177,[N:1]#[C:2][C:3]([C:4]1([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])([H:7])[H:8],[N:1](=[C:2]1/[C:3]([H:7])([H:8])[C:4]12[C:5]([H:10])([H:11])[C:6]2([H:12])[H:13])\[H:9],"InChI=1S/C5H7N/c6-4-3-5-1-2-5/h5H,1-3H2","InChI=1S/C5H7N/c6-4-3-5(4)1-2-5/h6H,1-3H2/b6-4-",109.54313,35.561859999999996,
3178,[N:1]#[C:2][C:3]([C:4]1([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])([H:7])[H:8],[N:1]#[C:2][C:3]([C:4][C:6]([C:5]([H:9])([H:10])[H:11])([H:12])[H:13])([H:7])[H:8],"InChI=1S/C5H7N/c6-4-3-5-1-2-5/h5H,1-3H2","InChI=1S/C5H7N/c1-2-3-4-5-6/h2,4H2,1H3",66.68462,70.24674,
3179,[N:1]#[C:2][C:3]([C:4]1([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])([H:7])[H:8],[C:5](=[C:6]([H:12])[H:13])([H:10])[H:11].[N:1]#[C:2][C:4](=[C:3]([H:7])[H:8])[H:9],"InChI=1S/C5H7N/c6-4-3-5-1-2-5/h5H,1-3H2","InChI=1S/C3H3N.C2H4/c1-2-3-4;1-2/h2H,1H2;1-2H2",81.63524,16.253610000000002,
3180,[N:1]#[C:2][C:3]([C:4]1([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])([H:7])[H:8],[N:1]#[C:2][C:3]([C:5]([C:6]([C:4][H:9])([H:12])[H:13])([H:10])[H:11])([H:7])[H:8],"InChI=1S/C5H7N/c6-4-3-5-1-2-5/h5H,1-3H2","InChI=1S/C5H7N/c1-2-3-4-5-6/h1H,2-4H2",97.80657,78.67679,
3181,[N:1]#[C:2][C:3]([C:4]1([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])([H:7])[H:8],[C:3](=[C:4]([C:6](=[C:5]([H:10])[H:11])[H:13])[H:9])([H:7])[H:8].[N:1]#[C:2][H:12],"InChI=1S/C5H7N/c6-4-3-5-1-2-5/h5H,1-3H2","InChI=1S/C4H6.CHN/c1-3-4-2;1-2/h3-4H,1-2H2;1H",86.03614,20.36431,
3182,[N:1]#[C:2][C:3]([C:4]1([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])([H:7])[H:8],[C:5](=[C:6]([H:12])[H:13])([H:10])[H:11].[N:1]1=[C:2]2[C:3]([H:7])([H:8])[C@@:4]12[H:9],"InChI=1S/C5H7N/c6-4-3-5-1-2-5/h5H,1-3H2","InChI=1S/C3H3N.C2H4/c1-2-3(1)4-2;1-2/h2H,1H2;1-2H2/t2-;/m1./s1",94.85750999999999,88.44166,
3183,[N:1]#[C:2][C:3]([C:4]1([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])([H:7])[H:8],[C:4]1([H:9])=[C:5]([H:10])[C:6]1([H:12])[H:13].[N:1](=[C:2]=[C:3]([H:7])[H:8])[H:11],"InChI=1S/C5H7N/c6-4-3-5-1-2-5/h5H,1-3H2","InChI=1S/C3H4.C2H3N/c1-2-3-1;1-2-3/h1-2H,3H2;3H,1H2",70.77956,65.01680999999999,Retroene
3184,[N:1]#[C:2][C:3]([C:4]1([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])([H:7])[H:8],[N+:1](=[C-:2][C:3]([C:4](=[C:6]([H:12])[H:13])[H:9])([H:7])[H:8])=[C:5]([H:10])[H:11],"InChI=1S/C5H7N/c6-4-3-5-1-2-5/h5H,1-3H2","InChI=1S/C5H7N/c1-3-4-5-6-2/h3H,1-2,4H2",68.38456,38.56317,
3185,[N:1]#[C:2][C:3]([C:4]1([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])([H:7])[H:8],[N+:1]1#[C:2][C:3]([H:7])([H:8])[C@:4]([C-:6]([H:12])[H:13])([H:9])[C:5]1([H:10])[H:11],"InChI=1S/C5H7N/c6-4-3-5-1-2-5/h5H,1-3H2","InChI=1S/C5H7N/c1-5-2-3-6-4-5/h5H,1-2,4H2/t5-/m1/s1",64.03676,64.15637,
3186,[N:1]#[C:2][C:3]([C:4]1([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])([H:7])[H:8],[N:1]1([H:12])[C:2][C:3]([H:7])([H:8])[C@:4]2([H:9])[C:5]([H:10])([H:11])[C@:6]12[H:13],"InChI=1S/C5H7N/c6-4-3-5-1-2-5/h5H,1-3H2","InChI=1S/C5H7N/c1-2-6-5-3-4(1)5/h4-6H,1,3H2/t4-,5+/m1/s1",83.02654,45.62996,
3187,[N:1]#[C:2][C:3]([C:4]1([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])([H:7])[H:8],[N+:1](#[C-:2])[C:3]([C:4]1([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])([H:7])[H:8],"InChI=1S/C5H7N/c6-4-3-5-1-2-5/h5H,1-3H2","InChI=1S/C5H7N/c1-6-4-5-2-3-5/h5H,2-4H2",57.64581999999999,26.05692,
3188,[N:1]#[C:2][C:3]([C:4]1([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])([H:7])[H:8],[H:7][H:11].[N:1]#[C:2]/[C:3](=[C:4](/[C:5](=[C:6]([H:12])[H:13])[H:10])[H:9])[H:8],"InChI=1S/C5H7N/c6-4-3-5-1-2-5/h5H,1-3H2","InChI=1S/C5H5N.H2/c1-2-3-4-5-6;/h2-4H,1H2;1H/b4-3+;",87.69118,18.02274,
3189,[O:1]=[C:2]1[C:3]([H:6])([H:7])[C:4]([H:8])([H:9])[N:5]1[H:10],[O:1]=[C:2]=[C:3]([C:4]([N:5]([H:6])[H:10])([H:8])[H:9])[H:7],"InChI=1S/C3H5NO/c5-3-1-2-4-3/h1-2H2,(H,4,5)","InChI=1S/C3H5NO/c4-2-1-3-5/h1H,2,4H2",76.63473,15.145220000000002,
3190,[O:1]=[C:2]1[C:3]([H:6])([H:7])[C:4]([H:8])([H:9])[N:5]1[H:10],[O:1][C:2]([C:3]([C:4]([H:8])([H:9])[H:10])([H:6])[H:7])=[N:5],"InChI=1S/C3H5NO/c5-3-1-2-4-3/h1-2H2,(H,4,5)","InChI=1S/C3H5NO/c1-2-3(4)5/h2H2,1H3",65.34831,57.64479,
3191,[O:1]=[C:2]1[C:3]([H:6])([H:7])[C:4]([H:8])([H:9])[N:5]1[H:10],[O:1]=[C:2]=[N:5][C:4]([C:3]([H:6])([H:7])[H:10])([H:8])[H:9],"InChI=1S/C3H5NO/c5-3-1-2-4-3/h1-2H2,(H,4,5)","InChI=1S/C3H5NO/c1-2-4-3-5/h2H2,1H3",88.02209,-12.31002,
3192,[O:1]=[C:2]1[C:3]([H:6])([H:7])[C:4]([H:8])([H:9])[N:5]1[H:10],[C:3](=[C:4]([H:8])[H:9])([H:6])[H:7].[O:1]=[C:2]=[N:5][H:10],"InChI=1S/C3H5NO/c5-3-1-2-4-3/h1-2H2,(H,4,5)",InChI=1S/C2H4.CHNO/c1-2;2-1-3/h1-2H2;2H,42.17334,5.7884199999999995,
3193,[O:1]=[C:2]1[C:3]([H:6])([H:7])[C:4]([H:8])([H:9])[N:5]1[H:10],[C:4](=[N:5][H:10])([H:8])[H:9].[O:1]=[C:2]=[C:3]([H:6])[H:7],"InChI=1S/C3H5NO/c5-3-1-2-4-3/h1-2H2,(H,4,5)","InChI=1S/C2H2O.CH3N/c1-2-3;1-2/h1H2;2H,1H2",46.48986,30.67277,
3194,[O:1]=[C:2]1[C:3]([H:6])([H:7])[C:4]([H:8])([H:9])[N:5]1[H:10],[O:1]([C+:2]1[C:3]([H:6])([H:7])[C-:4]([H:9])[N:5]1[H:10])[H:8],"InChI=1S/C3H5NO/c5-3-1-2-4-3/h1-2H2,(H,4,5)","InChI=1S/C3H5NO/c5-3-1-2-4-3/h2,4-5H,1H2",104.74672,71.2359,
3195,[O:1]=[C:2]1[C:3]([H:6])([H:7])[C:4]([H:8])([H:9])[N:5]1[H:10],[O:1]=[C:2]([C@@:3]1([H:6])[C:4]([H:8])([H:9])[N:5]1[H:10])[H:7],"InChI=1S/C3H5NO/c5-3-1-2-4-3/h1-2H2,(H,4,5)","InChI=1S/C3H5NO/c5-2-3-1-4-3/h2-4H,1H2/t3-/m1/s1",87.61825999999999,26.48933,
3196,[O:1]=[C:2]1[C:3]([H:6])([H:7])[C:4]([H:8])([H:9])[N:5]1[H:10],[O:1]([C:2]1=[N:5][C:4]([H:8])([H:9])[C:3]1([H:6])[H:7])[H:10],"InChI=1S/C3H5NO/c5-3-1-2-4-3/h1-2H2,(H,4,5)","InChI=1S/C3H5NO/c5-3-1-2-4-3/h1-2H2,(H,4,5)",58.161390000000004,16.22918,ketoenol
3197,[O:1]=[C:2]1[C:3]([H:6])([H:7])[C:4]([H:8])([H:9])[N:5]1[H:10],[O:1]([C:2]1=[C:3]([H:7])[C:4]([H:8])([H:9])[N:5]1[H:10])[H:6],"InChI=1S/C3H5NO/c5-3-1-2-4-3/h1-2H2,(H,4,5)","InChI=1S/C3H5NO/c5-3-1-2-4-3/h1,4-5H,2H2",82.78576,31.5028,ketoenol
3198,[O:1]=[C:2]1[C:3]([H:6])([H:7])[C:4]([H:8])([H:9])[N:5]1[H:10],[O-:1][C:2](=[C+:3][H:6])[N:5]([C:4]([H:7])([H:8])[H:9])[H:10],"InChI=1S/C3H5NO/c5-3-1-2-4-3/h1-2H2,(H,4,5)","InChI=1S/C3H5NO/c1-3(5)4-2/h1,4H,2H3",74.20433,70.62153,
3199,[O:1]=[C:2]1[C:3]([H:6])([H:7])[C:4]([H:8])([H:9])[N:5]1[H:10],[O+:1]1=[C:2]([N:5]([C-:4]([H:8])[H:9])[H:10])[C:3]1([H:6])[H:7],"InChI=1S/C3H5NO/c5-3-1-2-4-3/h1-2H2,(H,4,5)","InChI=1S/C3H5NO/c1-4-3-2-5-3/h4H,1-2H2",91.11721999999999,82.72865,
3200,[O:1]=[C:2]1[C:3]([H:6])([H:7])[C:4]([H:8])([H:9])[N:5]1[H:10],[O:1]=[C:2]([C:3]([C:4][H:8])([H:6])[H:7])[N:5]([H:9])[H:10],"InChI=1S/C3H5NO/c5-3-1-2-4-3/h1-2H2,(H,4,5)","InChI=1S/C3H5NO/c1-2-3(4)5/h1H,2H2,(H2,4,5)",71.21865,71.47756,
3201,[O:1]=[c:2]1[o:3][c:4]([H:7])[n:5][o:6]1,[C:4](#[N+:5][O-:6])[H:7].[O:1]=[C:2]=[O:3],InChI=1S/C2HNO3/c4-2-5-1-3-6-2/h1H,InChI=1S/CHNO.CO2/c1-2-3;2-1-3/h1H;,38.557320000000004,11.43788,
3202,[O:1]=[c:2]1[o:3][c:4]([H:7])[n:5][o:6]1,[O:1]=[C:2]=[O:6].[O:3]=[C:4]=[N:5][H:7],InChI=1S/C2HNO3/c4-2-5-1-3-6-2/h1H,InChI=1S/CHNO.CO2/c2*2-1-3/h2H;,29.02665,-56.2744,
3203,[O:1]=[c:2]1[o:3][c:4]([H:7])[n:5][o:6]1,[C:4](#[N:5])[H:7].[O:1]1[C:2](=[O:3])[O:6]1,InChI=1S/C2HNO3/c4-2-5-1-3-6-2/h1H,InChI=1S/CHN.CO3/c1-2;2-1-3-4-1/h1H;,67.59183,64.38663000000001,
3204,[O:1]=[c:2]1[o:3][c:4]([H:7])[n:5][o:6]1,[O:1]=[C:2]=[O:6].[O:3]([C:4]#[N:5])[H:7],InChI=1S/C2HNO3/c4-2-5-1-3-6-2/h1H,InChI=1S/CHNO.CO2/c2*2-1-3/h3H;,29.04445,-29.60114,
3205,[O:1]=[c:2]1[o:3][c:4]([H:7])[n:5][o:6]1,[C:4](=[N:5])([O:6])[H:7].[O:1]=[C:2]=[O:3],InChI=1S/C2HNO3/c4-2-5-1-3-6-2/h1H,InChI=1S/CHNO.CO2/c2*2-1-3/h1H;,71.89601,30.218090000000004,
3206,[N:1]([C:2]1([C:5]#[N:6])[C:3]([H:9])([H:10])[C:4]1([H:11])[H:12])([H:7])[H:8],[N:1]([C:5]1=[N:6][C:2]12[C:3]([H:9])([H:10])[C:4]2([H:11])[H:12])([H:7])[H:8],"InChI=1S/C4H6N2/c5-3-4(6)1-2-4/h1-2,6H2","InChI=1S/C4H6N2/c5-3-4(6-3)1-2-4/h1-2H2,(H2,5,6)",88.34506,35.88828,
3207,[N:1]([C:2]1([C:5]#[N:6])[C:3]([H:9])([H:10])[C:4]1([H:11])[H:12])([H:7])[H:8],[N:1]([C@:2]1([C+:5]=[N:6][H:11])[C:3]([H:9])([H:10])[C-:4]1[H:12])([H:7])[H:8],"InChI=1S/C4H6N2/c5-3-4(6)1-2-4/h1-2,6H2","InChI=1S/C4H6N2/c5-3-4(6)1-2-4/h1,5H,2,6H2/t4-/m0/s1",117.06392,76.74922,
3208,[N:1]([C:2]1([C:5]#[N:6])[C:3]([H:9])([H:10])[C:4]1([H:11])[H:12])([H:7])[H:8],[C:5]=[N:6][H:8].[N:1](=[C:2]1[C:3]([H:9])([H:10])[C:4]1([H:11])[H:12])[H:7],"InChI=1S/C4H6N2/c5-3-4(6)1-2-4/h1-2,6H2","InChI=1S/C3H5N.CHN/c4-3-1-2-3;1-2/h4H,1-2H2;2H",64.75147,52.76418,
3209,[N:1]([C:2]1([C:5]#[N:6])[C:3]([H:9])([H:10])[C:4]1([H:11])[H:12])([H:7])[H:8],[N:1]([C:2]1=[C:5]=[N:6][C:4]([H:11])([H:12])[C:3]1([H:9])[H:10])([H:7])[H:8],"InChI=1S/C4H6N2/c5-3-4(6)1-2-4/h1-2,6H2","InChI=1S/C4H6N2/c5-4-1-2-6-3-4/h1-2,5H2",65.61583,45.4176,
3210,[N:1]([C:2]1([C:5]#[N:6])[C:3]([H:9])([H:10])[C:4]1([H:11])[H:12])([H:7])[H:8],[N:1]([C:2]1([N+:6]#[C-:5])[C:3]([H:9])([H:10])[C:4]1([H:11])[H:12])([H:7])[H:8],"InChI=1S/C4H6N2/c5-3-4(6)1-2-4/h1-2,6H2","InChI=1S/C4H6N2/c1-6-4(5)2-3-4/h2-3,5H2",53.78545,24.46805,
3211,[N:1]([C:2]1([C:5]#[N:6])[C:3]([H:9])([H:10])[C:4]1([H:11])[H:12])([H:7])[H:8],[C:3](=[C:4]([H:11])[H:12])([H:9])[H:10].[N:1]([C+:2]=[C:5]=[N-:6])([H:7])[H:8],"InChI=1S/C4H6N2/c5-3-4(6)1-2-4/h1-2,6H2",InChI=1S/C2H2N2.C2H4/c3-1-2-4;1-2/h3H2;1-2H2,42.93934,45.565909999999995,
3212,[N:1]([C:2]1([C:5]#[N:6])[C:3]([H:9])([H:10])[C:4]1([H:11])[H:12])([H:7])[H:8],[N:1]([N:6]=[C:5]=[C:2]1[C:3]([H:9])([H:10])[C:4]1([H:11])[H:12])([H:7])[H:8],"InChI=1S/C4H6N2/c5-3-4(6)1-2-4/h1-2,6H2","InChI=1S/C4H6N2/c5-6-3-4-1-2-4/h1-2,5H2",100.42719,49.539229999999996,
3213,[N:1]([C:2]1([C:5]#[N:6])[C:3]([H:9])([H:10])[C:4]1([H:11])[H:12])([H:7])[H:8],[N+:1]1([H:7])([H:8])[C-:2]([C:5]#[N:6])[C:3]([H:9])([H:10])[C:4]1([H:11])[H:12],"InChI=1S/C4H6N2/c5-3-4(6)1-2-4/h1-2,6H2","InChI=1S/C4H6N2/c5-3-4-1-2-6-4/h1-2,6H2",62.16911999999999,49.388009999999994,
3214,[N:1]([C:2]1([C:5]#[N:6])[C:3]([H:9])([H:10])[C:4]1([H:11])[H:12])([H:7])[H:8],[N:1]1([H:7])[C:2]2([C:3]([H:9])([H:10])[C:4]2([H:11])[H:12])/[C:5]1=[N:6]/[H:8],"InChI=1S/C4H6N2/c5-3-4(6)1-2-4/h1-2,6H2","InChI=1S/C4H6N2/c5-3-4(6-3)1-2-4/h1-2H2,(H2,5,6)",84.16351999999999,37.32936,
3215,[N:1]([C:2]1([C:5]#[N:6])[C:3]([H:9])([H:10])[C:4]1([H:11])[H:12])([H:7])[H:8],[C:2]1([C:5]#[N:6])=[C:3]([H:9])[C:4]1([H:11])[H:12].[N:1]([H:7])([H:8])[H:10],"InChI=1S/C4H6N2/c5-3-4(6)1-2-4/h1-2,6H2","InChI=1S/C4H3N.H3N/c5-3-4-1-2-4;/h1H,2H2;1H3",66.69726,38.777190000000004,"1,3_NH3_elimination"
3216,[O:1]([c:2]1[c:3]([H:8])[n:4]([H:9])[c:5]([H:10])[n:6]1)[H:7],[O:1]([C:2]1=[N:6][C:5]([H:9])([H:10])[N:4]=[C:3]1[H:8])[H:7],"InChI=1S/C3H4N2O/c6-3-1-4-2-5-3/h1-2,6H,(H,4,5)","InChI=1S/C3H4N2O/c6-3-1-4-2-5-3/h1H,2H2,(H,5,6)",40.7426,8.79792,
3217,[O:1]([c:2]1[c:3]([H:8])[n:4]([H:9])[c:5]([H:10])[n:6]1)[H:7],[O:1]([N-:6][C:2]1=[C:3]([H:8])[N:4]([H:9])[C+:5]1[H:10])[H:7],"InChI=1S/C3H4N2O/c6-3-1-4-2-5-3/h1-2,6H,(H,4,5)","InChI=1S/C3H4N2O/c6-5-3-1-4-2-3/h1-2,4,6H",155.80997,113.66327,
3218,[O:1]([c:2]1[c:3]([H:8])[n:4]([H:9])[c:5]([H:10])[n:6]1)[H:7],[O:1]([C:2]1=[N:6][C:5]([H:10])=[N:4][C:3]1([H:8])[H:9])[H:7],"InChI=1S/C3H4N2O/c6-3-1-4-2-5-3/h1-2,6H,(H,4,5)","InChI=1S/C3H4N2O/c6-3-1-4-2-5-3/h2H,1H2,(H,4,5,6)",43.096579999999996,7.40649,
3219,[O:1]([c:2]1[c:3]([H:8])[n:4]([H:9])[c:5]([H:10])[n:6]1)[H:7],[O-:1][c:2]1[c:3]([H:8])[n+:4]([H:9])[c:5]([H:10])[n:6]1[H:7],"InChI=1S/C3H4N2O/c6-3-1-4-2-5-3/h1-2,6H,(H,4,5)","InChI=1S/C3H4N2O/c6-3-1-4-2-5-3/h1-2,6H,(H,4,5)",39.73943,10.08339,
3220,[O:1]([c:2]1[c:3]([H:8])[n:4]([H:9])[c:5]([H:10])[n:6]1)[H:7],[O:1]([C:2]1=[C:3]([H:8])[N:6]1/[C:5](=[N:4]/[H:9])[H:10])[H:7],"InChI=1S/C3H4N2O/c6-3-1-4-2-5-3/h1-2,6H,(H,4,5)","InChI=1S/C3H4N2O/c4-2-5-1-3(5)6/h1-2,4,6H/b4-2+",89.79249,88.95318,
3221,[O:1]([c:2]1[c:3]([H:8])[n:4]([H:9])[c:5]([H:10])[n:6]1)[H:7],[O:1]([C:2]1=[N:6][C@:3]1([N+:4](=[C-:5][H:10])[H:9])[H:8])[H:7],"InChI=1S/C3H4N2O/c6-3-1-4-2-5-3/h1-2,6H,(H,4,5)","InChI=1S/C3H4N2O/c1-4-2-3(6)5-2/h1-2,4H,(H,5,6)/t2-/m1/s1",120.20466,95.27046,
3222,[O:1]([c:2]1[c:3]([H:8])[n:4]([H:9])[c:5]([H:10])[n:6]1)[H:7],[O:1]([C:2](/[C:3](=[N:4]/[H:9])[H:8])=[N+:6]=[C-:5][H:10])[H:7],"InChI=1S/C3H4N2O/c6-3-1-4-2-5-3/h1-2,6H,(H,4,5)","InChI=1S/C3H4N2O/c1-5-3(6)2-4/h1-2,4,6H/b4-2+",58.71325,59.92905,
3223,[O:1]([c:2]1[c:3]([H:8])[n:4]([H:9])[c:5]([H:10])[n:6]1)[H:7],[O+:1](=[C:2]1[C:3]([H:8])([H:10])[N:4]([H:9])[C-:5]=[N:6]1)[H:7],"InChI=1S/C3H4N2O/c6-3-1-4-2-5-3/h1-2,6H,(H,4,5)","InChI=1S/C3H3N2O/c6-3-1-4-2-5-3/h1H2,(H,4,5,6)/q-1/p+1",111.74258,47.459340000000005,
3224,[O:1]([c:2]1[c:3]([H:8])[n:4]([H:9])[c:5]([H:10])[n:6]1)[H:7],[O:1]([C:3](=[C:2]=[N:6][C:5](=[N:4][H:9])[H:10])[H:8])[H:7],"InChI=1S/C3H4N2O/c6-3-1-4-2-5-3/h1-2,6H,(H,4,5)","InChI=1S/C3H4N2O/c4-3-5-1-2-6/h2-4,6H",95.62836999999999,48.5524,
3225,[O:1]([c:2]1[c:3]([H:8])[n:4]([H:9])[c:5]([H:10])[n:6]1)[H:7],[O:1]([C:2]1=[C:3]([H:8])[N:4]([H:9])[C:5][N:6]1[H:10])[H:7],"InChI=1S/C3H4N2O/c6-3-1-4-2-5-3/h1-2,6H,(H,4,5)","InChI=1S/C3H4N2O/c6-3-1-4-2-5-3/h1,4-6H",69.32893,38.62615,
3226,[O:1]([c:2]1[c:3]([H:8])[n:4]([H:9])[c:5]([H:10])[n:6]1)[H:7],[C:5](#[N:6])[H:10].[O:1]([C:2]/[C:3](=[N:4]/[H:9])[H:8])[H:7],"InChI=1S/C3H4N2O/c6-3-1-4-2-5-3/h1-2,6H,(H,4,5)","InChI=1S/C2H3NO.CHN/c3-1-2-4;1-2/h1,3-4H;1H/b3-1+;",89.16435,97.78187,
3227,[O:1]([c:2]1[c:3]([H:8])[n:4]([H:9])[c:5]([H:10])[n:6]1)[H:7],[O:1]([C@:2]1([H:8])[C-:3]=[N+:4]([H:9])[C:5]([H:10])=[N:6]1)[H:7],"InChI=1S/C3H4N2O/c6-3-1-4-2-5-3/h1-2,6H,(H,4,5)","InChI=1S/C3H4N2O/c6-3-1-4-2-5-3/h2-4,6H/t3-/m1/s1",65.426,62.48335,Singlet_Carbene_Intra_Disproportionation
3228,[O:1]([c:2]1[c:3]([H:8])[n:4]([H:9])[c:5]([H:10])[n:6]1)[H:7],[O:1]=[C:2]1[C:3]([H:7])([H:8])[N:4]([H:9])[C:5]([H:10])=[N:6]1,"InChI=1S/C3H4N2O/c6-3-1-4-2-5-3/h1-2,6H,(H,4,5)","InChI=1S/C3H4N2O/c6-3-1-4-2-5-3/h2H,1H2,(H,4,5,6)",58.43193,1.6951599999999998,ketoenol
3229,[N:1]#[C:2][C:3]([C:4]([C:5]#[N:6])([H:9])[H:10])([H:7])[H:8],[N:1](=[C:2]=[C:3]([C:4]([C:5]#[N:6])([H:9])[H:10])[H:8])[H:7],InChI=1S/C4H4N2/c5-3-1-2-4-6/h1-2H2,"InChI=1S/C4H4N2/c5-3-1-2-4-6/h1,5H,2H2",81.58428,18.59485,
3230,[N:1]#[C:2][C:3]([C:4]([C:5]#[N:6])([H:9])[H:10])([H:7])[H:8],[N:1](=[C:2]1/[C:3]([H:7])([H:8])[C@:4]1([C:5]#[N:6])[H:9])\[H:10],InChI=1S/C4H4N2/c5-3-1-2-4-6/h1-2H2,"InChI=1S/C4H4N2/c5-2-3-1-4(3)6/h3,6H,1H2/b6-4-/t3-/m0/s1",93.20184,30.652240000000003,
3231,[N:1]#[C:2][C:3]([C:4]([C:5]#[N:6])([H:9])[H:10])([H:7])[H:8],[N+:1](#[C-:2])[C:3]([C:4]([C:5]#[N:6])([H:9])[H:10])([H:7])[H:8],InChI=1S/C4H4N2/c5-3-1-2-4-6/h1-2H2,"InChI=1S/C4H4N2/c1-6-4-2-3-5/h2,4H2",59.99653000000001,26.04809,
3232,[N:1]#[C:2][C:3]([C:4]([C:5]#[N:6])([H:9])[H:10])([H:7])[H:8],[C:5]=[N:6][H:10].[N:1]1=[C:2]2[C:3]([H:7])([H:8])[C@@:4]12[H:9],InChI=1S/C4H4N2/c5-3-1-2-4-6/h1-2H2,"InChI=1S/C3H3N.CHN/c1-2-3(1)4-2;1-2/h2H,1H2;2H/t2-;/m1./s1",129.34431,117.35125,
3233,[N:1]#[C:2][C:3]([C:4]([C:5]#[N:6])([H:9])[H:10])([H:7])[H:8],[N-:1]=[C:2]=[C:3]([C:4]([C+:5]=[N:6][H:7])([H:9])[H:10])[H:8],InChI=1S/C4H4N2/c5-3-1-2-4-6/h1-2H2,"InChI=1S/C4H4N2/c5-3-1-2-4-6/h1,6H,2H2",82.99105,51.82343,
3234,[N:1]#[C:2][C:3]([C:4]([C:5]#[N:6])([H:9])[H:10])([H:7])[H:8],[C:3](=[C:4]([C:5]#[N:6])[H:9])([H:7])[H:8].[N:1]#[C:2][H:10],InChI=1S/C4H4N2/c5-3-1-2-4-6/h1-2H2,"InChI=1S/C3H3N.CHN/c1-2-3-4;1-2/h2H,1H2;1H",96.99455999999999,25.25581,
3235,[O:1]([C:2]1([C:5]#[C:6][H:12])[C:3]([H:8])([H:9])[C:4]1([H:10])[H:11])[H:7],[O:1]([C:4]([C:3]([C-:2]=[C:5]=[C+:6][H:12])([H:8])[H:9])([H:10])[H:11])[H:7],"InChI=1S/C5H6O/c1-2-5(6)3-4-5/h1,6H,3-4H2","InChI=1S/C5H6O/c1-2-3-4-5-6/h1,6H,4-5H2",76.283,51.36777,
3236,[O:1]([C:2]1([C:5]#[C:6][H:12])[C:3]([H:8])([H:9])[C:4]1([H:10])[H:11])[H:7],[O:1]([C:6](=[C:5]=[C:2]1[C:3]([H:8])([H:9])[C:4]1([H:10])[H:11])[H:12])[H:7],"InChI=1S/C5H6O/c1-2-5(6)3-4-5/h1,6H,3-4H2","InChI=1S/C5H6O/c6-4-3-5-1-2-5/h4,6H,1-2H2",63.60425,2.46477,
3237,[O:1]([C:2]1([C:5]#[C:6][H:12])[C:3]([H:8])([H:9])[C:4]1([H:10])[H:11])[H:7],[O:1]([C:2]1([C:6](=[C:5])[H:12])[C:3]([H:8])([H:9])[C:4]1([H:10])[H:11])[H:7],"InChI=1S/C5H6O/c1-2-5(6)3-4-5/h1,6H,3-4H2","InChI=1S/C5H6O/c1-2-5(6)3-4-5/h2,6H,3-4H2",52.609590000000004,51.14848,Singlet_Carbene_Intra_Disproportionation
3238,[O:1]([C:2]1([C:5]#[C:6][H:12])[C:3]([H:8])([H:9])[C:4]1([H:10])[H:11])[H:7],[O:1]([C:2]1=[C:5]=[C:6]([H:12])[C:4]([H:10])([H:11])[C:3]1([H:8])[H:9])[H:7],"InChI=1S/C5H6O/c1-2-5(6)3-4-5/h1,6H,3-4H2","InChI=1S/C5H6O/c6-5-3-1-2-4-5/h1,6H,2,4H2",57.76841999999999,-0.10579000000000001,
3239,[O:1]([C:2]1([C:5]#[C:6][H:12])[C:3]([H:8])([H:9])[C:4]1([H:10])[H:11])[H:7],[O:1]([C:5]1=[C:6]([H:12])[C:2]12[C:3]([H:8])([H:9])[C:4]2([H:10])[H:11])[H:7],"InChI=1S/C5H6O/c1-2-5(6)3-4-5/h1,6H,3-4H2","InChI=1S/C5H6O/c6-4-3-5(4)1-2-5/h3,6H,1-2H2",77.37652,18.34466,
3240,[O:1]([C:2]1([C:5]#[C:6][H:12])[C:3]([H:8])([H:9])[C:4]1([H:10])[H:11])[H:7],[O:1](/[C:2](=[C:3](/[C:4]([H:9])([H:10])[H:11])[H:8])[C:5]#[C:6][H:12])[H:7],"InChI=1S/C5H6O/c1-2-5(6)3-4-5/h1,6H,3-4H2","InChI=1S/C5H6O/c1-3-5(6)4-2/h1,4,6H,2H3/b5-4+",69.92204,-15.80846,
3241,[O:1]([C:2]1([C:5]#[C:6][H:12])[C:3]([H:8])([H:9])[C:4]1([H:10])[H:11])[H:7],[C:2]1([C:5]#[C:6][H:12])=[C:4]([H:11])[C:3]1([H:8])[H:9].[O:1]([H:7])[H:10],"InChI=1S/C5H6O/c1-2-5(6)3-4-5/h1,6H,3-4H2","InChI=1S/C5H4.H2O/c1-2-5-3-4-5;/h1,3H,4H2;1H2",70.30207,30.69473,
3242,[O:1]([C:2]1([C:5]#[C:6][H:12])[C:3]([H:8])([H:9])[C:4]1([H:10])[H:11])[H:7],[O:1]=[C:2]([C:4]([C:3]([H:7])([H:8])[H:9])([H:10])[H:11])[C:5]#[C:6][H:12],"InChI=1S/C5H6O/c1-2-5(6)3-4-5/h1,6H,3-4H2","InChI=1S/C5H6O/c1-3-5(6)4-2/h1H,4H2,2H3",45.01676,-19.790110000000002,
3243,[c:1]1([H:7])[c:2]([H:8])[c:3]([H:9])[c:4]([H:10])[c:5]([H:11])[c:6]1[H:12],[C:1]12([H:7])[C:2]3([H:8])[C:3]1([H:9])[C:4]([H:10])=[C:5]([H:11])[C:6]23[H:12],InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H,InChI=1S/C6H6/c1-2-4-5-3(1)6(4)5/h1-6H,100.75263000000001,78.37305,
3244,[c:1]1([H:7])[c:2]([H:8])[c:3]([H:9])[c:4]([H:10])[c:5]([H:11])[c:6]1[H:12],[C:1]1([H:7])=[C:6]=[C:5]=[C:4]([H:10])[C:3]([H:9])=[C:2]1[H:8].[H:11][H:12],InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H,InChI=1S/C6H4.H2/c1-2-4-6-5-3-1;/h1-4H;1H,118.39986,91.20325,
3245,[c:1]1([H:7])[c:2]([H:8])[c:3]([H:9])[c:4]([H:10])[c:5]([H:11])[c:6]1[H:12],[C:1]1([H:7])=[C:6]([H:12])[C:4]2([H:10])[C:3]1([H:9])[C:2]([H:8])=[C:5]2[H:11],InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H,InChI=1S/C6H6/c1-2-6-4-3-5(1)6/h1-6H,158.31456,82.13627,
3246,[c:1]1([H:7])[c:2]([H:8])[c:3]([H:9])[c:4]([H:10])[c:5]([H:11])[c:6]1[H:12],[C:1](#[C:2][H:8])[H:7].[C:3](#[C:4][H:10])[H:9].[C:5](#[C:6][H:12])[H:11],InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H,InChI=1S/3C2H2/c3*1-2/h3*1-2H,189.95819,157.82196000000002,
3247,[c:1]1([H:7])[c:2]([H:8])[c:3]([H:9])[c:4]([H:10])[c:5]([H:11])[c:6]1[H:12],[C:1]1([H:7])=[C:2]([H:8])[C:3]([H:9])([H:11])[C:4]([H:10])=[C:5]=[C:6]1[H:12],InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H,"InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-3,6H,4H2",104.73505,77.60499,
3248,[c:1]1([H:7])[c:2]([H:8])[c:3]([H:9])[c:4]([H:10])[c:5]([H:11])[c:6]1[H:12],[C:1]1([H:7])=[C+:6][C:5]([H:11])([H:12])[C-:4]([H:10])[C:3]([H:9])=[C:2]1[H:8],InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H,"InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-4H,5H2",88.25104,92.29545,Singlet_Carbene_Intra_Disproportionation
3249,[c:1]1([H:7])[c:2]([H:8])[c:3]([H:9])[c:4]([H:10])[c:5]([H:11])[c:6]1[H:12],[C:1]1([H:7])=[C:2]([H:8])[C:3]([H:9])([H:12])[C+:4]([H:10])[C:5]([H:11])=[C-:6]1,InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H,"InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-2,5-6H,3H2",129.10752,95.10129,
3250,[C:1]([N:2]1[C:3]([H:10])([H:11])[C:4]([O:5][H:13])([H:12])[C:6]1([H:14])[H:15])([H:7])([H:8])[H:9],[C:1]([N:2]1[C:3]([H:10])([H:11])[C:4]([H:12])=[C:6]1[H:15])([H:7])([H:8])[H:9].[O:5]([H:13])[H:14],"InChI=1S/C4H9NO/c1-5-2-4(6)3-5/h4,6H,2-3H2,1H3","InChI=1S/C4H7N.H2O/c1-5-3-2-4-5;/h2-3H,4H2,1H3;1H2",70.32247,17.0733,"1,3_Insertion_ROR"
3251,[C:1]([N:2]1[C:3]([H:10])([H:11])[C:4]([O:5][H:13])([H:12])[C:6]1([H:14])[H:15])([H:7])([H:8])[H:9],[C:1]([N:2]1[C@@:4]([C:3]([O:5][H:13])([H:10])[H:11])([H:12])[C:6]1([H:14])[H:15])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-5-2-4(6)3-5/h4,6H,2-3H2,1H3","InChI=1S/C4H9NO/c1-5-2-4(5)3-6/h4,6H,2-3H2,1H3/t4-,5?/m0/s1",72.18861,3.8298,
3252,[C:1]([N:2]1[C:3]([H:10])([H:11])[C:4]([O:5][H:13])([H:12])[C:6]1([H:14])[H:15])([H:7])([H:8])[H:9],[C-:1]([N+:2]1=[C:6]([H:15])[C@:4]([O:5][H:13])([H:12])[C:3]1([H:10])[H:11])([H:7])[H:9].[H:8][H:14],"InChI=1S/C4H9NO/c1-5-2-4(6)3-5/h4,6H,2-3H2,1H3","InChI=1S/C4H7NO.H2/c1-5-2-4(6)3-5;/h2,4,6H,1,3H2;1H/t4-;/m1./s1",53.804730000000006,47.15522,
3253,[C:1]([N:2]1[C:3]([H:10])([H:11])[C:4]([O:5][H:13])([H:12])[C:6]1([H:14])[H:15])([H:7])([H:8])[H:9],[C+:1]([N:2]([C:6]([C@:4]([C-:3]([H:10])[H:11])([O:5][H:13])[H:12])([H:14])[H:15])[H:8])([H:7])[H:9],"InChI=1S/C4H9NO/c1-5-2-4(6)3-5/h4,6H,2-3H2,1H3","InChI=1S/C4H9NO/c1-4(6)3-5-2/h4-6H,1-3H2/t4-/m0/s1",79.69757,52.32695,
3254,[C:1]([N:2]1[C:3]([H:10])([H:11])[C:4]([O:5][H:13])([H:12])[C:6]1([H:14])[H:15])([H:7])([H:8])[H:9],[C:1]([N:2]([C:3]([H:10])([H:11])[H:12])[C:6]([C:4][O:5][H:13])([H:14])[H:15])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-5-2-4(6)3-5/h4,6H,2-3H2,1H3","InChI=1S/C4H9NO/c1-5(2)3-4-6/h6H,3H2,1-2H3",63.75561,45.40555,
3255,[C:1]([N:2]1[C:3]([H:10])([H:11])[C:4]([O:5][H:13])([H:12])[C:6]1([H:14])[H:15])([H:7])([H:8])[H:9],[C:1]([N+:2]1([H:14])[C:3]([H:10])([H:11])[C@@:4]([O:5][H:13])([H:12])[C-:6]1[H:15])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-5-2-4(6)3-5/h4,6H,2-3H2,1H3","InChI=1S/C4H9NO/c1-5-2-4(6)3-5/h2,4-6H,3H2,1H3/t4-/m1/s1",70.10919,52.32871,
3256,[C:1]([N:2]1[C:3]([H:10])([H:11])[C:4]([O:5][H:13])([H:12])[C:6]1([H:14])[H:15])([H:7])([H:8])[H:9],[C:1]([N+:2]1([H:12])[C:3]([H:10])([H:11])[C-:4]([O:5][H:13])[C:6]1([H:14])[H:15])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-5-2-4(6)3-5/h4,6H,2-3H2,1H3","InChI=1S/C4H8NO/c1-5-2-4(6)3-5/h6H,2-3H2,1H3/q-1/p+1",74.80481999999999,70.43392,
3257,[C:1]([N:2]1[C:3]([H:10])([H:11])[C:4]([O:5][H:13])([H:12])[C:6]1([H:14])[H:15])([H:7])([H:8])[H:9],[C:1](=[N:2][C:6]([H:8])([H:14])[H:15])([H:7])[H:9].[C:3](=[C:4]([O:5][H:13])[H:12])([H:10])[H:11],"InChI=1S/C4H9NO/c1-5-2-4(6)3-5/h4,6H,2-3H2,1H3","InChI=1S/C2H5N.C2H4O/c1-3-2;1-2-3/h1H2,2H3;2-3H,1H2",90.47157,3.25509,
3258,[C:1]([N:2]1[C:3]([H:10])([H:11])[C:4]([O:5][H:13])([H:12])[C:6]1([H:14])[H:15])([H:7])([H:8])[H:9],[C:1]([N+:2]1=[C:6]([H:14])[C:4]([O:5][H:13])([H:12])[C-:3]1[H:11])([H:7])([H:8])[H:9].[H:10][H:15],"InChI=1S/C4H9NO/c1-5-2-4(6)3-5/h4,6H,2-3H2,1H3","InChI=1S/C4H7NO.H2/c1-5-2-4(6)3-5;/h2-4,6H,1H3;1H",69.97686999999999,63.69611,
3259,[C:1]([C@@:2]1([H:10])[C@:3]([C:4]([H:12])([H:13])[H:14])([H:11])[N:5]1[C:6]([H:15])([H:16])[H:17])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C-:3]([H:11])[N+:5]1([C:4]([H:12])([H:13])[H:14])[C:6]([H:15])([H:16])[H:17])([H:7])([H:8])[H:9],"InChI=1S/C5H11N/c1-4-5(2)6(4)3/h4-5H,1-3H3/t4-,5+,6?","InChI=1S/C5H11N/c1-5-4-6(5,2)3/h4-5H,1-3H3/t5-/m0/s1",97.41333,59.41036999999999,
3260,[C:1]([C@@:2]1([H:10])[C@:3]([C:4]([H:12])([H:13])[H:14])([H:11])[N:5]1[C:6]([H:15])([H:16])[H:17])([H:7])([H:8])[H:9],[C:1](=[C:2]([H:9])[H:10])([H:7])[H:8].[C:3](\[C:4]([H:12])([H:13])[H:14])(=[N:5]/[C:6]([H:15])([H:16])[H:17])[H:11],"InChI=1S/C5H11N/c1-4-5(2)6(4)3/h4-5H,1-3H3/t4-,5+,6?","InChI=1S/C3H7N.C2H4/c1-3-4-2;1-2/h3H,1-2H3;1-2H2/b4-3+;",77.25165,6.03354,
3261,[C:1]([C@@:2]1([H:10])[C@:3]([C:4]([H:12])([H:13])[H:14])([H:11])[N:5]1[C:6]([H:15])([H:16])[H:17])([H:7])([H:8])[H:9],[C:1](/[C:2](=[N:5]/[C:3]([C:4]([H:12])([H:13])[H:14])([C:6]([H:15])([H:16])[H:17])[H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H11N/c1-4-5(2)6(4)3/h4-5H,1-3H3/t4-,5+,6?","InChI=1S/C5H11N/c1-4-6-5(2)3/h4-5H,1-3H3/b6-4+",87.25556999999999,-20.60768,
3262,[C:1]([C@@:2]1([H:10])[C@:3]([C:4]([H:12])([H:13])[H:14])([H:11])[N:5]1[C:6]([H:15])([H:16])[H:17])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C-:3]([C:4]([H:12])([H:13])[H:14])[N+:5]1([C:6]([H:15])([H:16])[H:17])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H11N/c1-4-5(2)6(4)3/h4-5H,1-3H3/t4-,5+,6?","InChI=1S/C5H11N/c1-4-5(2)6(4)3/h4,6H,1-3H3/t4-/m0/s1",71.26862,52.90577,
3263,[C:1]([C@@:2]1([H:10])[C@:3]([C:4]([H:12])([H:13])[H:14])([H:11])[N:5]1[C:6]([H:15])([H:16])[H:17])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([C:4]([H:12])([H:13])[H:14])=[N+:5]1[C-:6]([H:16])[H:17])([H:7])([H:8])[H:9].[H:11][H:15],"InChI=1S/C5H11N/c1-4-5(2)6(4)3/h4-5H,1-3H3/t4-,5+,6?","InChI=1S/C5H9N.H2/c1-4-5(2)6(4)3;/h4H,3H2,1-2H3;1H/t4-;/m0./s1",67.63394,62.055009999999996,
3264,[C:1]([C@@:2]1([H:10])[C@:3]([C:4]([H:12])([H:13])[H:14])([H:11])[N:5]1[C:6]([H:15])([H:16])[H:17])([H:7])([H:8])[H:9],[C:1]([C-:2]([N+:5](=[C:3]([C:4]([H:12])([H:13])[H:14])[H:11])[C:6]([H:15])([H:16])[H:17])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H11N/c1-4-5(2)6(4)3/h4-5H,1-3H3/t4-,5+,6?","InChI=1S/C5H11N/c1-4-6(3)5-2/h4-5H,1-3H3",38.3982,19.809820000000002,
3265,[O:1]([c:2]1[n:3][o:4][n:5][n:6]1)[H:7],[N:5]#[N:6].[O:1]([C:2]#[N+:3][O-:4])[H:7],"InChI=1S/CHN3O2/c5-1-2-4-6-3-1/h(H,3,5)",InChI=1S/CHNO2.N2/c3-1-2-4;1-2/h3H;,9.9297,-9.25641,
3266,[O:1]([c:2]1[n:3][o:4][n:5][n:6]1)[H:7],[O:1]=[c:2]1[n-:3][o:4][n:5][n+:6]1[H:7],"InChI=1S/CHN3O2/c5-1-2-4-6-3-1/h(H,3,5)","InChI=1S/CHN3O2/c5-1-2-4-6-3-1/h(H,3,5)",49.46157,16.75856,ketoenol
3267,[O:1]([c:2]1[n:3][o:4][n:5][n:6]1)[H:7],[O:1]=[c:2]1[n:3]([H:7])[o:4][n:5][n:6]1,"InChI=1S/CHN3O2/c5-1-2-4-6-3-1/h(H,3,5)","InChI=1S/CHN3O2/c5-1-2-4-6-3-1/h(H,3,5)",50.765190000000004,8.37598,ketoenol
3268,[O:1]([c:2]1[n:3][o:4][n:5][n:6]1)[H:7],[O:1]([C:2]#[N:3])[H:7].[O:4]=[N+:5]=[N-:6],"InChI=1S/CHN3O2/c5-1-2-4-6-3-1/h(H,3,5)",InChI=1S/CHNO.N2O/c2-1-3;1-2-3/h3H;,29.714240000000004,-6.84894,
3269,[O:1]([c:2]1[n:3][o:4][n:5][n:6]1)[H:7],[O:1]([N:3]=[C:2]=[N:6][N:5]=[O:4])[H:7],"InChI=1S/CHN3O2/c5-1-2-4-6-3-1/h(H,3,5)",InChI=1S/CHN3O2/c5-3-1-2-4-6/h5H,84.94221999999999,52.29828,
3270,[C:1](/[C:2](=[N:3]\[H:10])[N:4]([C:5](=[O:6])[H:12])[H:11])([H:7])([H:8])[H:9],[C:1](/[C:2](=[N:3]\[H:10])[O:6]/[C:5](=[N:4]/[H:11])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C3H6N2O/c1-3(4)5-2-6/h2H,1H3,(H2,4,5,6)","InChI=1S/C3H6N2O/c1-3(5)6-2-4/h2,4-5H,1H3/b4-2+,5-3+",50.96138,19.8668,ketoenol
3271,[C:1](/[C:2](=[N:3]\[H:10])[N:4]([C:5](=[O:6])[H:12])[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]1[N:3]([H:10])[O:6][C:5]([H:7])([H:12])[N:4]1[H:11])([H:8])[H:9],"InChI=1S/C3H6N2O/c1-3(4)5-2-6/h2H,1H3,(H2,4,5,6)","InChI=1S/C3H6N2O/c1-3-4-2-6-5-3/h4-5H,1-2H2",102.51095,68.26915,
3272,[C:1](/[C:2](=[N:3]\[H:10])[N:4]([C:5](=[O:6])[H:12])[H:11])([H:7])([H:8])[H:9],[C-:5]#[O+:6].[C:1]([C+:2]([N:3]([H:10])[H:12])[N-:4][H:11])([H:7])([H:8])[H:9],"InChI=1S/C3H6N2O/c1-3(4)5-2-6/h2H,1H3,(H2,4,5,6)","InChI=1S/C2H6N2.CO/c1-2(3)4;1-2/h3H,4H2,1H3;",36.73467,13.29633,"1,2_Insertion_CO"
3273,[C:1](/[C:2](=[N:3]\[H:10])[N:4]([C:5](=[O:6])[H:12])[H:11])([H:7])([H:8])[H:9],[C:1](/[C:2]([N:3]([H:10])[H:11])=[N:4]/[C:5](=[O:6])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C3H6N2O/c1-3(4)5-2-6/h2H,1H3,(H2,4,5,6)","InChI=1S/C3H6N2O/c1-3(4)5-2-6/h2H,1H3,(H2,4,5,6)",29.53442,-2.43498,
3274,[C:1](/[C:2](=[N:3]\[H:10])[N:4]([C:5](=[O:6])[H:12])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](=[N:3]\[H:10])/[N:4]=[C:5](/[O:6][H:11])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C3H6N2O/c1-3(4)5-2-6/h2H,1H3,(H2,4,5,6)","InChI=1S/C3H6N2O/c1-3(4)5-2-6/h2H,1H3,(H2,4,5,6)",42.57407,13.510589999999999,ketoenol
3275,[C:1](/[C:2](=[N:3]\[H:10])[N:4]([C:5](=[O:6])[H:12])[H:11])([H:7])([H:8])[H:9],[C:1]([C@:2]12[N:3]([H:10])[O:6][C@@:5]1([H:12])[N:4]2[H:11])([H:7])([H:8])[H:9],"InChI=1S/C3H6N2O/c1-3(4)5-2-6/h2H,1H3,(H2,4,5,6)","InChI=1S/C3H6N2O/c1-3-2(4-3)6-5-3/h2,4-5H,1H3/t2-,3+/m1/s1",118.81299999999999,95.11275,
3276,[C:1](/[C:2](=[N:3]\[H:10])[N:4]([C:5](=[O:6])[H:12])[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]([N:3]([H:7])[H:10])[N:4]([C:5](=[O:6])[H:12])[H:11])([H:8])[H:9],"InChI=1S/C3H6N2O/c1-3(4)5-2-6/h2H,1H3,(H2,4,5,6)","InChI=1S/C3H6N2O/c1-3(4)5-2-6/h2H,1,4H2,(H,5,6)",58.60708,8.901760000000001,
3277,[C:1](/[C:2](=[N:3]\[H:10])[N:4]([C:5](=[O:6])[H:12])[H:11])([H:7])([H:8])[H:9],[C:1]([N+:3](=[C-:2][N:4]([C:5](=[O:6])[H:12])[H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C3H6N2O/c1-3(4)5-2-6/h2H,1H3,(H2,4,5,6)","InChI=1S/C3H6N2O/c1-4-2-5-3-6/h3-4H,1H3,(H,5,6)",86.63225,36.25639,
3278,[C:1](/[C:2](=[N:3]\[H:10])[N:4]([C:5](=[O:6])[H:12])[H:11])([H:7])([H:8])[H:9],[C:1]([C-:2]=[N+:3]([N:4]([C:5](=[O:6])[H:12])[H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C3H6N2O/c1-3(4)5-2-6/h2H,1H3,(H2,4,5,6)","InChI=1S/C3H6N2O/c1-2-4-5-3-6/h3-4H,1H3,(H,5,6)",107.30188999999999,73.06709000000001,
3279,[C:1](/[C:2](=[N:3]\[H:10])[N:4]([C:5](=[O:6])[H:12])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]#[N:3])([H:7])([H:8])[H:9].[N:4](=[C:5](\[O:6][H:10])[H:12])\[H:11],"InChI=1S/C3H6N2O/c1-3(4)5-2-6/h2H,1H3,(H2,4,5,6)","InChI=1S/C2H3N.CH3NO/c1-2-3;2-1-3/h1H3;1H,(H2,2,3)",41.38368,20.48356,Retroene
3280,[C:1](/[C:2](=[N:3]\[H:10])[N:4]([C:5](=[O:6])[H:12])[H:11])([H:7])([H:8])[H:9],[C:1](/[C:2](=[N:3]\[H:10])[N+:4](=[C-:5][O:6][H:12])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C3H6N2O/c1-3(4)5-2-6/h2H,1H3,(H2,4,5,6)","InChI=1S/C3H6N2O/c1-3(4)5-2-6/h4-6H,1H3/b4-3+",72.33251,37.90118,
3281,[C:1](/[C:2](=[N:3]\[H:10])[N:4]([C:5](=[O:6])[H:12])[H:11])([H:7])([H:8])[H:9],[C:1]([C:5](=[O:6])[H:12])([H:7])([H:8])[H:9].[C:2](=[N:3][H:10])=[N:4][H:11],"InChI=1S/C3H6N2O/c1-3(4)5-2-6/h2H,1H3,(H2,4,5,6)","InChI=1S/C2H4O.CH2N2/c1-2-3;2-1-3/h2H,1H3;2-3H",82.32954000000001,26.10414,
3282,[C:1](/[C:2](=[N:3]\[H:10])[N:4]([C:5](=[O:6])[H:12])[H:11])([H:7])([H:8])[H:9],[C:1](/[C:2](=[N:3]\[H:10])[H:12])([H:7])([H:8])[H:9].[N:4](=[C:5]=[O:6])[H:11],"InChI=1S/C3H6N2O/c1-3(4)5-2-6/h2H,1H3,(H2,4,5,6)","InChI=1S/C2H5N.CHNO/c1-2-3;2-1-3/h2-3H,1H3;2H/b3-2-;",71.43885,13.304310000000001,
3283,[C:1](/[C:2](=[N:3]\[H:10])[N:4]([C:5](=[O:6])[H:12])[H:11])([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:10].[C:2](#[N:3])[N:4]([C:5](=[O:6])[H:12])[H:11],"InChI=1S/C3H6N2O/c1-3(4)5-2-6/h2H,1H3,(H2,4,5,6)","InChI=1S/C2H2N2O.CH4/c3-1-4-2-5;/h2H,(H,4,5);1H4",98.63019,18.20204,
3284,[C:1]([n:2]1[n:3][n:4][n:5][n:6]1)([H:7])([H:8])[H:9],[C:1]([N:2]=[N:3][N:4]=[N+:5]=[N-:6])([H:7])([H:8])[H:9],InChI=1S/CH3N5/c1-6-4-2-3-5-6/h1H3,InChI=1S/CH3N5/c1-3-5-6-4-2/h1H3,28.20843,26.447129999999998,
3285,[C:1]([n:2]1[n:3][n:4][n:5][n:6]1)([H:7])([H:8])[H:9],[C:1](=[N+:2]1[N:3]([H:9])[N:4]=[N:5][N-:6]1)([H:7])[H:8],InChI=1S/CH3N5/c1-6-4-2-3-5-6/h1H3,"InChI=1S/CH3N5/c1-6-4-2-3-5-6/h1H2,(H,2,3,4,5)",79.00368,39.64825,
3286,[C:1]([n:2]1[n:3][n:4][n:5][n:6]1)([H:7])([H:8])[H:9],[C:1]([N:2]=[N+:6]=[N-:5])([H:7])([H:8])[H:9].[N:3]#[N:4],InChI=1S/CH3N5/c1-6-4-2-3-5-6/h1H3,InChI=1S/CH3N3.N2/c1-3-4-2;1-2/h1H3;,13.78706,-37.32989,
3287,[C:1]([n:2]1[n:3][n:4][n:5][n:6]1)([H:7])([H:8])[H:9],[C:1]([N:2]=[N:6])([H:7])([H:8])[H:9].[N-:3]=[N+:4]=[N:5],InChI=1S/CH3N5/c1-6-4-2-3-5-6/h1H3,InChI=1S/CH3N2.N3/c2*1-3-2/h1H3;,28.229059999999997,48.15948,
3288,[C:1](/[N:2]=[C:3](\[N:4]([H:10])[H:11])[C:5]#[N:6])([H:7])([H:8])[H:9],[C:1]([N:2]=[C:3]=[C:5]=[N:6][N:4]([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C3H5N3/c1-6-3(5)2-4/h1H3,(H2,5,6)","InChI=1S/C3H5N3/c1-5-2-3-6-4/h4H2,1H3",87.95164,54.63239,
3289,[C:1](/[N:2]=[C:3](\[N:4]([H:10])[H:11])[C:5]#[N:6])([H:7])([H:8])[H:9],[C:1]([N:2]=[C:3]([N:4]([H:10])[H:11])[N+:6]#[C-:5])([H:7])([H:8])[H:9],"InChI=1S/C3H5N3/c1-6-3(5)2-4/h1H3,(H2,5,6)","InChI=1S/C3H5N3/c1-5-3(4)6-2/h1H3,(H2,4,5)",45.53083,19.06145,
3290,[C:1](/[N:2]=[C:3](\[N:4]([H:10])[H:11])[C:5]#[N:6])([H:7])([H:8])[H:9],[C:1]([N:2]=[C:3]=[N:4][H:10])([H:7])([H:8])[H:9].[C:5](#[N:6])[H:11],"InChI=1S/C3H5N3/c1-6-3(5)2-4/h1H3,(H2,5,6)","InChI=1S/C2H4N2.CHN/c1-4-2-3;1-2/h3H,1H3;1H",49.74225,17.777929999999998,
3291,[C:1](/[N:2]=[C:3](\[N:4]([H:10])[H:11])[C:5]#[N:6])([H:7])([H:8])[H:9],[C:1]([N:2](/[C:3](=[N:4]/[H:11])[C:5]#[N:6])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C3H5N3/c1-6-3(5)2-4/h1H3,(H2,5,6)","InChI=1S/C3H5N3/c1-6-3(5)2-4/h1H3,(H2,5,6)",37.0796,-1.43116,
3292,[C:1](/[N:2]=[C:3](\[N:4]([H:10])[H:11])[C:5]#[N:6])([H:7])([H:8])[H:9],[C:1]1([H:7])([H:8])[N-:2][C:3]([N:4]([H:10])[H:11])=[C:5]=[N+:6]1[H:9],"InChI=1S/C3H5N3/c1-6-3(5)2-4/h1H3,(H2,5,6)","InChI=1S/C3H4N3/c4-3-1-5-2-6-3/h2,4H2/q-1/p+1",60.303090000000005,24.0095,
3293,[C:1](/[N:2]=[C:3](\[N:4]([H:10])[H:11])[C:5]#[N:6])([H:7])([H:8])[H:9],[C:1](=[N:2][C@@:3]([N:4]([H:10])[H:11])([C:5]#[N:6])[H:9])([H:7])[H:8],"InChI=1S/C3H5N3/c1-6-3(5)2-4/h1H3,(H2,5,6)","InChI=1S/C3H5N3/c1-6-3(5)2-4/h3H,1,5H2/t3-/m1/s1",95.01719,15.016670000000001,
3294,[C:1](/[N:2]=[C:3](\[N:4]([H:10])[H:11])[C:5]#[N:6])([H:7])([H:8])[H:9],[C:1](=[N:2]/[C:3](=[N:4]/[H:11])[C:5]#[N:6])([H:7])[H:8].[H:9][H:10],"InChI=1S/C3H5N3/c1-6-3(5)2-4/h1H3,(H2,5,6)","InChI=1S/C3H3N3.H2/c1-6-3(5)2-4;/h5H,1H2;1H/b5-3+;",47.04303,32.61118,
3295,[C:1](/[N:2]=[C:3](\[N:4]([H:10])[H:11])[C:5]#[N:6])([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:11].[N:2](=[C:3]=[N:4][H:10])[C:5]#[N:6],"InChI=1S/C3H5N3/c1-6-3(5)2-4/h1H3,(H2,5,6)",InChI=1S/C2HN3.CH4/c3-1-5-2-4;/h3H;1H4,88.52107,9.08479,
3296,[C:1](/[N:2]=[C:3](\[N:4]([H:10])[H:11])[C:5]#[N:6])([H:7])([H:8])[H:9],[C+:1]([N:2]([C:3]([N:4]([H:10])[H:11])=[C:5]=[N-:6])[H:9])([H:7])[H:8],"InChI=1S/C3H5N3/c1-6-3(5)2-4/h1H3,(H2,5,6)","InChI=1S/C3H5N3/c1-6-3(5)2-4/h6H,1,5H2",63.44457,25.738020000000002,
3297,[C:1](/[N:2]=[C:3](\[N:4]([H:10])[H:11])[C:5]#[N:6])([H:7])([H:8])[H:9],[C:1]([N:4]([H:10])[H:11])([H:7])([H:8])[H:9].[N:2]#[C:3][C:5]#[N:6],"InChI=1S/C3H5N3/c1-6-3(5)2-4/h1H3,(H2,5,6)","InChI=1S/C2N2.CH5N/c3-1-2-4;1-2/h;2H2,1H3",77.64008000000001,21.314610000000002,
3298,[C:1](/[N:2]=[C:3](\[N:4]([H:10])[H:11])[C:5]#[N:6])([H:7])([H:8])[H:9],[C:1](=[N:2][C-:3]([N+:4]([H:9])([H:10])[H:11])[C:5]#[N:6])([H:7])[H:8],"InChI=1S/C3H5N3/c1-6-3(5)2-4/h1H3,(H2,5,6)","InChI=1S/C3H5N3/c1-6-3(5)2-4/h1H2,5H3",52.35353,45.328520000000005,
3299,[C:1](/[N:2]=[C:3](\[N:4]([H:10])[H:11])[C:5]#[N:6])([H:7])([H:8])[H:9],[C:1](/[N:2]=[c:3]1\[c:5]([N:4]([H:10])[H:11])[n:6]1)([H:7])([H:8])[H:9],"InChI=1S/C3H5N3/c1-6-3(5)2-4/h1H3,(H2,5,6)","InChI=1S/C3H5N3/c1-5-3-2(4)6-3/h1H3,(H2,4,5,6)",72.48989,31.110390000000002,
3300,[C:1]([C:2]([C:3]([C:4]([C:5]([H:15])([H:16])[H:17])([H:13])[H:14])([H:11])[H:12])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1](=[C:2]([H:9])[H:10])([H:6])[H:8].[C:3](=[C:4]([C:5]([H:15])([H:16])[H:17])[H:14])([H:11])[H:12].[H:7][H:13],"InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3","InChI=1S/C3H6.C2H4.H2/c1-3-2;1-2;/h3H,1H2,2H3;1-2H2;1H",77.37075,52.88585,
3301,[C:1]([C:2]([N:3]([C:4](=[O:5])[C:6]([H:13])([H:14])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([N:3]=[C:4]=[O:5])([H:10])[H:11])([H:7])([H:8])[H:9].[C:6]([H:12])([H:13])([H:14])[H:15],"InChI=1S/C4H9NO/c1-3-5-4(2)6/h3H2,1-2H3,(H,5,6)","InChI=1S/C3H5NO.CH4/c1-2-4-3-5;/h2H2,1H3;1H4",71.70514,8.0402,
3302,[C:1]([C:2]([N:3]([C:4](=[O:5])[C:6]([H:13])([H:14])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:4]([N:3]([C:6]([H:13])([H:14])[H:15])[H:12])=[O:5])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-3-5-4(2)6/h3H2,1-2H3,(H,5,6)","InChI=1S/C4H9NO/c1-3-4(6)5-2/h3H2,1-2H3,(H,5,6)",98.8871,1.619,
3303,[C:1]([C:2]([N:3]([C:4](=[O:5])[C:6]([H:13])([H:14])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O+:5]=[C:4]([N:3]([C-:2]([H:10])[H:11])[H:12])[C:6]([H:13])([H:14])[H:15])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-3-5-4(2)6/h3H2,1-2H3,(H,5,6)","InChI=1S/C4H9NO/c1-4(5-2)6-3/h5H,2H2,1,3H3",84.9438,70.1382,
3304,[C:1]([C:2]([N:3]([C:4](=[O:5])[C:6]([H:13])([H:14])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](/[N:3]=[C:4](/[O:5][H:12])[C:6]([H:13])([H:14])[H:15])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-3-5-4(2)6/h3H2,1-2H3,(H,5,6)","InChI=1S/C4H9NO/c1-3-5-4(2)6/h3H2,1-2H3,(H,5,6)",39.07909,10.2772,ketoenol
3305,[C:1]([C:2]([N:3]([C:4](=[O:5])[C:6]([H:13])([H:14])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](/[C:2](=[N:3]/[C:4](=[O:5])[C:6]([H:13])([H:14])[H:15])[H:10])([H:7])([H:8])[H:9].[H:11][H:12],"InChI=1S/C4H9NO/c1-3-5-4(2)6/h3H2,1-2H3,(H,5,6)","InChI=1S/C4H7NO.H2/c1-3-5-4(2)6;/h3H,1-2H3;1H/b5-3+;",95.59921,31.53035,
3306,[C:1]([C:2]([N:3]([C:4](=[O:5])[C:6]([H:13])([H:14])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](/[C:2](=[N:3]\[H:12])[H:10])([H:7])([H:8])[H:9].[C:4](=[O:5])([C:6]([H:13])([H:14])[H:15])[H:11],"InChI=1S/C4H9NO/c1-3-5-4(2)6/h3H2,1-2H3,(H,5,6)","InChI=1S/C2H5N.C2H4O/c2*1-2-3/h2-3H,1H3;2H,1H3/b3-2-;",77.01393,32.74795,
3307,[C:1]([C:2]([N:3]([C:4](=[O:5])[C:6]([H:13])([H:14])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:4](=[O:5])[C:6]([H:13])([H:14])[H:15])([H:7])([H:8])[H:9].[C:2](=[N:3][H:12])([H:10])[H:11],"InChI=1S/C4H9NO/c1-3-5-4(2)6/h3H2,1-2H3,(H,5,6)","InChI=1S/C3H6O.CH3N/c1-3(2)4;1-2/h1-2H3;2H,1H2",93.39556,31.517979999999998,
3308,[C:1]([C:2]([N:3]([C:4](=[O:5])[C:6]([H:13])([H:14])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([N:3]([C-:4]=[O+:5][C:6]([H:13])([H:14])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-3-5-4(2)6/h3H2,1-2H3,(H,5,6)","InChI=1S/C4H9NO/c1-3-5-4-6-2/h5H,3H2,1-2H3",100.49899,58.200109999999995,
3309,[C:1]([C:2]([N:3]([C:4](=[O:5])[C:6]([H:13])([H:14])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([H:10])([H:11])[H:12])([H:7])([H:8])[H:9].[N:3](=[C:4]=[O:5])[C:6]([H:13])([H:14])[H:15],"InChI=1S/C4H9NO/c1-3-5-4(2)6/h3H2,1-2H3,(H,5,6)",InChI=1S/C2H3NO.C2H6/c1-3-2-4;1-2/h1H3;1-2H3,74.06479,12.70969,
3310,[C:1]([C:2]([N:3]([C:4](=[O:5])[C:6]([H:13])([H:14])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]([H:10])[H:11])([H:7])[H:8].[N:3](=[C:4](/[O:5][H:9])[C:6]([H:13])([H:14])[H:15])\[H:12],"InChI=1S/C4H9NO/c1-3-5-4(2)6/h3H2,1-2H3,(H,5,6)","InChI=1S/C2H5NO.C2H4/c1-2(3)4;1-2/h1H3,(H2,3,4);1-2H2",51.93187,27.772579999999998,Retroene
3311,[C:1]([C:2]([N:3]([C:4](=[O:5])[C:6]([H:13])([H:14])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]1([H:7])([H:8])[C:2]([H:10])([H:11])[N:3]1[H:12].[C:4](=[O:5])=[C:6]([H:13])[H:14].[H:9][H:15],"InChI=1S/C4H9NO/c1-3-5-4(2)6/h3H2,1-2H3,(H,5,6)","InChI=1S/C2H5N.C2H2O.H2/c1-2-3-1;1-2-3;/h3H,1-2H2;1H2;1H",99.99795,80.87624,
3312,[C:1]([C:2]([N:3]([C:4](=[O:5])[C:6]([H:13])([H:14])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([N:3]([C:4]([O:5][H:15])=[C:6]([H:13])[H:14])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-3-5-4(2)6/h3H2,1-2H3,(H,5,6)","InChI=1S/C4H9NO/c1-3-5-4(2)6/h5-6H,2-3H2,1H3",61.76385,23.59037,ketoenol
3313,[C:1]([C:2]([N:3]([C:4](=[O:5])[C:6]([H:13])([H:14])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C-:2](=[N+:3]([C:4](=[O:5])[C:6]([H:13])([H:14])[H:15])[H:12])[H:10].[C:1]([H:7])([H:8])([H:9])[H:11],"InChI=1S/C4H9NO/c1-3-5-4(2)6/h3H2,1-2H3,(H,5,6)","InChI=1S/C3H5NO.CH4/c1-3(5)4-2;/h2,4H,1H3;1H4",72.81276,64.983,
3314,[C:1]([C:2]([N:3]([C:4](=[O:5])[C:6]([H:13])([H:14])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([O:5]/[C:4](=[N:3]/[H:12])[C:6]([H:13])([H:14])[H:15])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-3-5-4(2)6/h3H2,1-2H3,(H,5,6)","InChI=1S/C4H9NO/c1-3-6-4(2)5/h5H,3H2,1-2H3/b5-4+",61.21592,14.60609,ketoenol
3315,[C:1]([C:2]([N:3]([C:4](=[O:5])[C:6]([H:13])([H:14])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([N:3]([C@@:4]1([H:15])[O:5][C:6]1([H:13])[H:14])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-3-5-4(2)6/h3H2,1-2H3,(H,5,6)","InChI=1S/C4H9NO/c1-2-5-4-3-6-4/h4-5H,2-3H2,1H3/t4-/m0/s1",100.92026,48.90108,
3316,[C:1]([C:2]([N:3]([C:4](=[O:5])[C:6]([H:13])([H:14])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2](/[N:3]=[C:4](\[O:5][H:11])[C:6]([H:13])([H:14])[H:15])[H:10])([H:7])[H:8].[H:9][H:12],"InChI=1S/C4H9NO/c1-3-5-4(2)6/h3H2,1-2H3,(H,5,6)","InChI=1S/C4H7NO.H2/c1-3-5-4(2)6;/h3H,1H2,2H3,(H,5,6);1H",92.7281,35.79095,
3317,[C:1]([C:2]([N:3]([C:4](=[O:5])[C:6]([H:13])([H:14])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](/[N:3]=[C:4]1\[O:5][C:6]1([H:13])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9].[H:12][H:15],"InChI=1S/C4H9NO/c1-3-5-4(2)6/h3H2,1-2H3,(H,5,6)","InChI=1S/C4H7NO.H2/c1-2-5-4-3-6-4;/h2-3H2,1H3;1H/b5-4-;",92.15420999999999,68.83633,
3318,[C:1](#[C:2][C:3]([C:4]([C:5]#[N:6])([H:10])[H:11])([H:8])[H:9])[H:7],[C:1](#[C:2][C:3]([C:4]([N+:6]#[C-:5])([H:10])[H:11])([H:8])[H:9])[H:7],"InChI=1S/C5H5N/c1-2-3-4-5-6/h1H,3-4H2","InChI=1S/C5H5N/c1-3-4-5-6-2/h1H,4-5H2",59.69673,25.97041,
3319,[C:1](#[C:2][C:3]([C:4]([C:5]#[N:6])([H:10])[H:11])([H:8])[H:9])[H:7],[C:1](=[C:2]=[C:3]([H:8])[H:9])([C:4]([C:5]#[N:6])([H:10])[H:11])[H:7],"InChI=1S/C5H5N/c1-2-3-4-5-6/h1H,3-4H2","InChI=1S/C5H5N/c1-2-3-4-5-6/h3H,1,4H2",64.07399000000001,-5.1014800000000005,
3320,[C:1](#[C:2][C:3]([C:4]([C:5]#[N:6])([H:10])[H:11])([H:8])[H:9])[H:7],[C:1](=[C:2]1[C:3]([H:8])([H:9])[C@@:4]1([C:5]#[N:6])[H:10])([H:7])[H:11],"InChI=1S/C5H5N/c1-2-3-4-5-6/h1H,3-4H2","InChI=1S/C5H5N/c1-4-2-5(4)3-6/h5H,1-2H2/t5-/m1/s1",69.26989,-0.26429,
3321,[C:1](#[C:2][C:3]([C:4]([C:5]#[N:6])([H:10])[H:11])([H:8])[H:9])[H:7],[C:1](=[C:2])([C:3]([C:4]([C:5]#[N:6])([H:10])[H:11])([H:8])[H:9])[H:7],"InChI=1S/C5H5N/c1-2-3-4-5-6/h1H,3-4H2","InChI=1S/C5H5N/c1-2-3-4-5-6/h2H,3-4H2",58.50415,52.965709999999994,Singlet_Carbene_Intra_Disproportionation
3322,[C:1](#[C:2][C:3]([C:4]([C:5]#[N:6])([H:10])[H:11])([H:8])[H:9])[H:7],[C@@:1]1([C:4]([C:5]#[N:6])([H:10])[H:11])([H:7])[C:2][C:3]1([H:8])[H:9],"InChI=1S/C5H5N/c1-2-3-4-5-6/h1H,3-4H2","InChI=1S/C5H5N/c6-4-3-5-1-2-5/h5H,1,3H2/t5-/m0/s1",93.79401999999999,69.55951999999999,
3323,[C:1](#[C:2][C:3]([C:4]([C:5]#[N:6])([H:10])[H:11])([H:8])[H:9])[H:7],[C:1](/[C:2](=[C:3](\[C:4]([C:5]#[N:6])([H:10])[H:11])[H:8])[H:9])[H:7],"InChI=1S/C5H5N/c1-2-3-4-5-6/h1H,3-4H2","InChI=1S/C5H5N/c1-2-3-4-5-6/h1-3H,4H2/b3-2-",67.84975,60.32188000000001,
3324,[C:1](#[C:2][C:3]([C:4]([C:5]#[N:6])([H:10])[H:11])([H:8])[H:9])[H:7],[C:1](=[C:2]=[C:3]([H:8])[H:9])([N:6]=[C:5]=[C:4]([H:10])[H:11])[H:7],"InChI=1S/C5H5N/c1-2-3-4-5-6/h1H,3-4H2","InChI=1S/C5H5N/c1-3-5-6-4-2/h5H,1-2H2",38.266459999999995,17.905160000000002,
3325,[O:1]=[c:2]1[o:3][n:4][n:5][o:6]1,[N-:4]=[N+:5]=[O:6].[O:1]=[C:2]=[O:3],InChI=1S/CN2O3/c4-1-5-2-3-6-1,InChI=1S/CO2.N2O/c2-1-3;1-2-3,6.49576,-51.0118,
3326,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C@@:4]1([H:14])[C:5]([H:15])([H:16])[O:6]1)[H:10])([H:7])([H:8])[H:9],[C:1](=[C:2]([C:3]([H:11])([H:12])[H:13])[H:10])([H:8])[H:9].[C:4]([C:5]([H:7])([H:15])[H:16])(=[O:6])[H:14],"InChI=1S/C5H10O/c1-4(2)5-3-6-5/h4-5H,3H2,1-2H3/t5-/m1/s1","InChI=1S/C3H6.C2H4O/c1-3-2;1-2-3/h3H,1H2,2H3;2H,1H3",59.81861,-1.6670200000000002,
3327,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C@@:4]1([H:14])[C:5]([H:15])([H:16])[O:6]1)[H:10])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4]([O+:6]=[C-:5][H:15])([H:14])[H:16])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-4(2)5-3-6-5/h4-5H,3H2,1-2H3/t5-/m1/s1","InChI=1S/C5H10O/c1-5(2)4-6-3/h3,5H,4H2,1-2H3",74.93715,47.03627,
3328,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C@@:4]1([H:14])[C:5]([H:15])([H:16])[O:6]1)[H:10])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])=[C:4]([C:5]([O:6][H:10])([H:15])[H:16])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-4(2)5-3-6-5/h4-5H,3H2,1-2H3/t5-/m1/s1","InChI=1S/C5H10O/c1-5(2)3-4-6/h3,6H,4H2,1-2H3",54.74292,-12.91433,
3329,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C@@:4]1([H:14])[C:5]([H:15])([H:16])[O:6]1)[H:10])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([H:10])[H:16])([H:7])([H:8])[H:9].[C:4](=[C+:5][H:15])([O-:6])[H:14],"InChI=1S/C5H10O/c1-4(2)5-3-6-5/h4-5H,3H2,1-2H3/t5-/m1/s1","InChI=1S/C3H8.C2H2O/c1-3-2;1-2-3/h3H2,1-2H3;1-2H",115.30381000000001,70.81661,
3330,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C@@:4]1([H:14])[C:5]([H:15])([H:16])[O:6]1)[H:10])([H:7])([H:8])[H:9],[C:1]([C-:2]([C:3]([H:11])([H:12])[H:13])[C@@:4]1([H:14])[C:5]([H:16])=[O+:6]1)([H:7])([H:8])[H:9].[H:10][H:15],"InChI=1S/C5H10O/c1-4(2)5-3-6-5/h4-5H,3H2,1-2H3/t5-/m1/s1","InChI=1S/C5H8O.H2/c1-4(2)5-3-6-5;/h3,5H,1-2H3;1H/t5-;/m1./s1",115.60171000000001,82.19686,
3331,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C@@:4]1([H:14])[C:5]([H:15])([H:16])[O:6]1)[H:10])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C@@:4]([C:5][H:15])([O:6][H:16])[H:14])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-4(2)5-3-6-5/h4-5H,3H2,1-2H3/t5-/m1/s1","InChI=1S/C5H10O/c1-4(2)5(3)6/h3-6H,1-2H3/t5-/m1/s1",68.16511,66.74472,
3332,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C@@:4]1([H:14])[C:5]([H:15])([H:16])[O:6]1)[H:10])([H:7])([H:8])[H:9],[C:1](/[C:2](=[C:4](/[C:5]([O:6][C:3]([H:11])([H:12])[H:13])([H:15])[H:16])[H:14])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-4(2)5-3-6-5/h4-5H,3H2,1-2H3/t5-/m1/s1","InChI=1S/C5H10O/c1-3-4-5-6-2/h3-4H,5H2,1-2H3/b4-3+",80.65817,-0.39452,
3333,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C@@:4]1([H:14])[C:5]([H:15])([H:16])[O:6]1)[H:10])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C-:4]=[O+:6][C:5]([H:14])([H:15])[H:16])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-4(2)5-3-6-5/h4-5H,3H2,1-2H3/t5-/m1/s1","InChI=1S/C5H10O/c1-5(2)4-6-3/h5H,1-3H3",72.50225,41.158120000000004,
3334,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C@@:4]1([H:14])[C:5]([H:15])([H:16])[O:6]1)[H:10])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C@@:4]([O:6][C:3]([H:11])([H:12])[H:13])([H:14])[C:5]1([H:15])[H:16])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-4(2)5-3-6-5/h4-5H,3H2,1-2H3/t5-/m1/s1","InChI=1S/C5H10O/c1-4-3-5(4)6-2/h4-5H,3H2,1-2H3/t4-,5-/m1/s1",99.17866,6.6771199999999995,
3335,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C@@:4]1([H:14])[C:5]([H:15])([H:16])[O:6]1)[H:10])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:12])([H:13])[C@:5]2([H:16])[C@@:4]1([H:14])[O:6]2)([H:7])([H:8])[H:9].[H:11][H:15],"InChI=1S/C5H10O/c1-4(2)5-3-6-5/h4-5H,3H2,1-2H3/t5-/m1/s1","InChI=1S/C5H8O.H2/c1-3-2-4-5(3)6-4;/h3-5H,2H2,1H3;1H/t3-,4+,5-;/m0./s1",113.05396,37.47826,
3336,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C@@:4]1([H:14])[C:5]([H:15])([H:16])[O:6]1)[H:10])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])=[C:4]([H:10])[H:14])([H:7])([H:8])[H:9].[C:5](=[O:6])([H:15])[H:16],"InChI=1S/C5H10O/c1-4(2)5-3-6-5/h4-5H,3H2,1-2H3/t5-/m1/s1","InChI=1S/C4H8.CH2O/c1-4(2)3;1-2/h1H2,2-3H3;1H2",71.74433,3.47528,
3337,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C@@:4]1([H:14])[C:5]([H:15])([H:16])[O:6]1)[H:10])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4][C:5]([O:6][H:14])([H:15])[H:16])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-4(2)5-3-6-5/h4-5H,3H2,1-2H3/t5-/m1/s1","InChI=1S/C5H10O/c1-5(2)3-4-6/h5-6H,4H2,1-2H3",66.45376,64.99471,
3338,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C@@:4]1([H:14])[C:5]([H:15])([H:16])[O:6]1)[H:10])([H:7])([H:8])[H:9],[C:1](/[C:4](=[C:2](/[C:3]([H:11])([H:12])[H:13])[H:10])[H:14])([H:7])([H:8])[H:9].[C:5](=[O:6])([H:15])[H:16],"InChI=1S/C5H10O/c1-4(2)5-3-6-5/h4-5H,3H2,1-2H3/t5-/m1/s1","InChI=1S/C4H8.CH2O/c1-3-4-2;1-2/h3-4H,1-2H3;1H2/b4-3+;",71.58652,4.31326,
3339,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C@@:4]1([H:14])[C:5]([H:15])([H:16])[O:6]1)[H:10])([H:7])([H:8])[H:9],[C:1]([C:2][C@@:4]1([H:14])[C:5]([H:15])([H:16])[O:6]1)([H:7])([H:8])[H:9].[C:3]([H:10])([H:11])([H:12])[H:13],"InChI=1S/C5H10O/c1-4(2)5-3-6-5/h4-5H,3H2,1-2H3/t5-/m1/s1","InChI=1S/C4H6O.CH4/c1-2-4-3-5-4;/h4H,3H2,1H3;1H4/t4-;/m0./s1",82.38561999999999,86.98033000000001,
3340,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C@@:4]1([H:14])[C:5]([H:15])([H:16])[O:6]1)[H:10])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([O:6][C:5]([C:4][H:14])([H:15])[H:16])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-4(2)5-3-6-5/h4-5H,3H2,1-2H3/t5-/m1/s1","InChI=1S/C5H10O/c1-4-6-5(2)3/h1,5H,4H2,2-3H3",99.38338,80.09552,
3341,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C@@:4]1([H:14])[C:5]([H:15])([H:16])[O:6]1)[H:10])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4](=[O+:6][C-:5]([H:15])[H:16])[H:14])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-4(2)5-3-6-5/h4-5H,3H2,1-2H3/t5-/m1/s1","InChI=1S/C5H10O/c1-5(2)4-6-3/h4-5H,3H2,1-2H3",56.6356,40.26475,
3342,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C@@:4]1([H:14])[C:5]([H:15])([H:16])[O:6]1)[H:10])([H:7])([H:8])[H:9],[C:1]([C:5]([C@:4]1([H:14])[C@:2]([C:3]([H:11])([H:12])[H:13])([H:10])[O:6]1)([H:15])[H:16])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-4(2)5-3-6-5/h4-5H,3H2,1-2H3/t5-/m1/s1","InChI=1S/C5H10O/c1-3-5-4(2)6-5/h4-5H,3H2,1-2H3/t4-,5-/m1/s1",89.64256,-3.3647699999999996,
3343,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C@@:4]1([H:14])[C:5]([H:15])([H:16])[O:6]1)[H:10])([H:7])([H:8])[H:9],[C:1]([C:2][C:3]([H:11])([H:12])[H:13])([H:7])([H:8])[H:9].[C:4]1([H:10])([H:14])[C:5]([H:15])([H:16])[O:6]1,"InChI=1S/C5H10O/c1-4(2)5-3-6-5/h4-5H,3H2,1-2H3/t5-/m1/s1",InChI=1S/C3H6.C2H4O/c1-3-2;1-2-3-1/h1-2H3;1-2H2,87.84258,98.8206,
3344,[N:1]1([H:7])[C@@:2]2([H:8])[C@:3]1([H:9])[C@@:4]1([H:10])[N:5]([H:11])[C@@:6]21[H:12],[N:1]1([H:7])[C@@:2]([C@@:6]2([H:12])[C:4][N:5]2[H:11])([H:8])[C:3]1([H:9])[H:10],"InChI=1S/C4H6N2/c5-1-2(5)4-3(1)6-4/h1-6H/t1-,2+,3-,4+","InChI=1S/C4H6N2/c1-3(5-1)4-2-6-4/h3-6H,1H2/t3-,4+/m0/s1",42.282920000000004,18.73396,
3345,[N:1]1([H:7])[C@@:2]2([H:8])[C@:3]1([H:9])[C@@:4]1([H:10])[N:5]([H:11])[C@@:6]21[H:12],[N:1]1([H:7])[C@:3]2([H:9])[C:2]([H:8])=[C:6]([H:12])[N:5]([H:11])[C@:4]12[H:10],"InChI=1S/C4H6N2/c5-1-2(5)4-3(1)6-4/h1-6H/t1-,2+,3-,4+","InChI=1S/C4H6N2/c1-2-5-4-3(1)6-4/h1-6H/t3-,4-/m1/s1",41.94061,-48.943909999999995,
3346,[N:1]1([H:7])[C@@:2]2([H:8])[C@:3]1([H:9])[C@@:4]1([H:10])[N:5]([H:11])[C@@:6]21[H:12],[N:1]1=[C:2]([H:8])[C@@:6]2([H:12])[C@@:4]([H:10])([C:3]1([H:7])[H:9])[N:5]2[H:11],"InChI=1S/C4H6N2/c5-1-2(5)4-3(1)6-4/h1-6H/t1-,2+,3-,4+","InChI=1S/C4H6N2/c1-3-4(6-3)2-5-1/h1,3-4,6H,2H2/t3-,4+/m0/s1",48.45432,-50.83106,
3347,[N:1]1([H:7])[C@@:2]2([H:8])[C@:3]1([H:9])[C@@:4]1([H:10])[N:5]([H:11])[C@@:6]21[H:12],[N:1]1([H:7])[C@@:2]2([H:8])[C@:3]1([H:9])[C@:6]2(/[C:4](=[N:5]/[H:11])[H:10])[H:12],"InChI=1S/C4H6N2/c5-1-2(5)4-3(1)6-4/h1-6H/t1-,2+,3-,4+","InChI=1S/C4H6N2/c5-1-2-3-4(2)6-3/h1-6H/b5-1+/t2-,3+,4-",42.92335,-16.8879,
3348,[N:1]1([H:7])[C@@:2]2([H:8])[C@:3]1([H:9])[C@@:4]1([H:10])[N:5]([H:11])[C@@:6]21[H:12],[N:1]1([H:7])[C@@:2]2([H:8])[C@:3]1([H:9])[C:4]([H:10])([H:12])[N:5]([H:11])[C:6]2,"InChI=1S/C4H6N2/c5-1-2(5)4-3(1)6-4/h1-6H/t1-,2+,3-,4+","InChI=1S/C4H6N2/c1-3-4(6-3)2-5-1/h3-6H,1H2/t3-,4+/m0/s1",55.999030000000005,-12.30551,
3349,[N:1]1([H:7])[C@@:2]2([H:8])[C@:3]1([H:9])[C@@:4]1([H:10])[N:5]([H:11])[C@@:6]21[H:12],[N:1]1([H:7])[C@@:2](/[C:6](=[N:5]\[H:11])[H:12])([H:8])[C@@:3]1([C:4][H:10])[H:9],"InChI=1S/C4H6N2/c5-1-2(5)4-3(1)6-4/h1-6H/t1-,2+,3-,4+","InChI=1S/C4H6N2/c1-3-4(2-5)6-3/h1-6H/b5-2-/t3-,4+/m0/s1",48.64569,35.13766,
3350,[N:1]1([H:7])[C@@:2]2([H:8])[C@:3]1([H:9])[C@@:4]1([H:10])[N:5]([H:11])[C@@:6]21[H:12],[H:7][H:11].[N:1]1=[C:3]([H:9])[C@:2]1([C@@:6]1([H:12])[C:4]([H:10])=[N:5]1)[H:8],"InChI=1S/C4H6N2/c5-1-2(5)4-3(1)6-4/h1-6H/t1-,2+,3-,4+","InChI=1S/C4H4N2.H2/c1-3(5-1)4-2-6-4;/h1-4H;1H/t3-,4+;",47.95173,21.30755,
3351,[N:1]1([H:7])[C@@:2]2([H:8])[C@:3]1([H:9])[C@@:4]1([H:10])[N:5]([H:11])[C@@:6]21[H:12],[H:10][H:12].[N:1]1([H:7])[C@:2]2([H:8])[C@@:3]1([H:9])[C+:4][N:5]([H:11])[C-:6]2,"InChI=1S/C4H6N2/c5-1-2(5)4-3(1)6-4/h1-6H/t1-,2+,3-,4+","InChI=1S/C4H4N2.H2/c1-3-4(6-3)2-5-1;/h3-6H;1H/t3-,4+;",80.27405,75.07598,
3352,[N:1]1([H:7])[C@@:2]2([H:8])[C@:3]1([H:9])[C@@:4]1([H:10])[N:5]([H:11])[C@@:6]21[H:12],[H:8][H:12].[N:1]1([H:7])[C-:2][C@:3]1([C@:4]1([H:10])[N:5]([H:11])[C+:6]1)[H:9],"InChI=1S/C4H6N2/c5-1-2(5)4-3(1)6-4/h1-6H/t1-,2+,3-,4+","InChI=1S/C4H4N2.H2/c1-3(5-1)4-2-6-4;/h3-6H;1H/t3-,4+;",119.99985,90.89577,
3353,[N:1]1([H:7])[C@@:2]2([H:8])[C@:3]1([H:9])[C@@:4]1([H:10])[N:5]([H:11])[C@@:6]21[H:12],[N:1]1([H:7])[C:2]([H:8])=[C:6]([H:12])[N:5]([H:11])[C:4]([H:10])=[C:3]1[H:9],"InChI=1S/C4H6N2/c5-1-2(5)4-3(1)6-4/h1-6H/t1-,2+,3-,4+",InChI=1S/C4H6N2/c1-2-6-4-3-5-1/h1-6H,41.73873,-57.68356,
3354,[N:1]1([H:7])[C@@:2]2([H:8])[C@:3]1([H:9])[C@@:4]1([H:10])[N:5]([H:11])[C@@:6]21[H:12],[N:1]1([H:7])[C@@:2]2([H:8])[C@:3]1([H:9])[C@:6]2([N:5]([C:4][H:10])[H:11])[H:12],"InChI=1S/C4H6N2/c5-1-2(5)4-3(1)6-4/h1-6H/t1-,2+,3-,4+","InChI=1S/C4H6N2/c1-5-2-3-4(2)6-3/h1-6H/t2-,3+,4-",62.09073000000001,32.6419,
3355,[C:1]([C@@:2]([O:3][H:11])([C@@:4]1([H:12])[C:5]([H:13])([H:14])[N:6]1[H:15])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2](=[O:3])[C@@:4]1([H:12])[C:5]([H:13])([H:14])[N:6]1[H:15])([H:7])([H:8])[H:9].[H:10][H:11],"InChI=1S/C4H9NO/c1-3(6)4-2-5-4/h3-6H,2H2,1H3/t3-,4-/m1/s1","InChI=1S/C4H7NO.H2/c1-3(6)4-2-5-4;/h4-5H,2H2,1H3;1H/t4-;/m1./s1",80.52925,18.90289,
3356,[C:1]([C@@:2]([O:3][H:11])([C@@:4]1([H:12])[C:5]([H:13])([H:14])[N:6]1[H:15])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2](=[O:3])[C:4]([C:5]([N:6]([H:11])[H:15])([H:13])[H:14])([H:10])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-3(6)4-2-5-4/h3-6H,2H2,1H3/t3-,4-/m1/s1","InChI=1S/C4H9NO/c1-4(6)2-3-5/h2-3,5H2,1H3",39.8923,-21.9465,
3357,[C:1]([C@@:2]([O:3][H:11])([C@@:4]1([H:12])[C:5]([H:13])([H:14])[N:6]1[H:15])[H:10])([H:7])([H:8])[H:9],[C:1]([N:6]([C@@:4]1([H:12])[C@:2]([O:3][H:11])([H:10])[C:5]1([H:13])[H:14])[H:15])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-3(6)4-2-5-4/h3-6H,2H2,1H3/t3-,4-/m1/s1","InChI=1S/C4H9NO/c1-5-3-2-4(3)6/h3-6H,2H2,1H3/t3-,4+/m1/s1",97.05526,4.79997,
3358,[C:1]([C@@:2]([O:3][H:11])([C@@:4]1([H:12])[C:5]([H:13])([H:14])[N:6]1[H:15])[H:10])([H:7])([H:8])[H:9],[C:1]([C@@:2]([O:3][H:11])(/[C:4](=[N:6]/[C:5]([H:13])([H:14])[H:15])[H:12])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-3(6)4-2-5-4/h3-6H,2H2,1H3/t3-,4-/m1/s1","InChI=1S/C4H9NO/c1-4(6)3-5-2/h3-4,6H,1-2H3/b5-3+/t4-/m1/s1",58.8962,-13.825460000000001,
3359,[C:1]([C@@:2]([O:3][H:11])([C@@:4]1([H:12])[C:5]([H:13])([H:14])[N:6]1[H:15])[H:10])([H:7])([H:8])[H:9],[C:1]([C@@:2]([O:3][H:11])([C@@:4]1([H:12])[C-:5]([H:14])[N+:6]1([H:13])[H:15])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-3(6)4-2-5-4/h3-6H,2H2,1H3/t3-,4-/m1/s1","InChI=1S/C4H9NO/c1-3(6)4-2-5-4/h2-4,6H,5H2,1H3/t3-,4-/m1/s1",66.12053,46.460409999999996,
3360,[C:1]([C@@:2]([O:3][H:11])([C@@:4]1([H:12])[C:5]([H:13])([H:14])[N:6]1[H:15])[H:10])([H:7])([H:8])[H:9],[C:1]([C@@:2]([O:3][H:11])([C:4]([N:6]([C:5][H:13])[H:15])([H:12])[H:14])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-3(6)4-2-5-4/h3-6H,2H2,1H3/t3-,4-/m1/s1","InChI=1S/C4H9NO/c1-4(6)3-5-2/h2,4-6H,3H2,1H3/t4-/m1/s1",69.95475,34.445209999999996,
3361,[C:1]([C@@:2]([O:3][H:11])([C@@:4]1([H:12])[C:5]([H:13])([H:14])[N:6]1[H:15])[H:10])([H:7])([H:8])[H:9],[C:1]([C@@:2]([O:3][H:11])([C:4][N:6]([C:5]([H:12])([H:13])[H:14])[H:15])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-3(6)4-2-5-4/h3-6H,2H2,1H3/t3-,4-/m1/s1","InChI=1S/C4H9NO/c1-4(6)3-5-2/h4-6H,1-2H3/t4-/m1/s1",66.15723,33.24067,
3362,[C:1]([C@@:2]([O:3][H:11])([C@@:4]1([H:12])[C:5]([H:13])([H:14])[N:6]1[H:15])[H:10])([H:7])([H:8])[H:9],[C:1](/[C:2](=[C:4]1\[C:5]([H:13])([H:14])[N:6]1[H:15])[H:10])([H:7])([H:8])[H:9].[O:3]([H:11])[H:12],"InChI=1S/C4H9NO/c1-3(6)4-2-5-4/h3-6H,2H2,1H3/t3-,4-/m1/s1","InChI=1S/C4H7N.H2O/c1-2-4-3-5-4;/h2,5H,3H2,1H3;1H2/b4-2+;",70.26553,20.64932,"1,3_Insertion_ROR"
3363,[C:1]([C@@:2]([O:3][H:11])([C@@:4]1([H:12])[C:5]([H:13])([H:14])[N:6]1[H:15])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2](=[O:3])[H:10])([H:7])([H:8])[H:9].[C:4](=[C:5]([H:13])[H:14])([N:6]([H:11])[H:15])[H:12],"InChI=1S/C4H9NO/c1-3(6)4-2-5-4/h3-6H,2H2,1H3/t3-,4-/m1/s1","InChI=1S/C2H5N.C2H4O/c2*1-2-3/h2H,1,3H2;2H,1H3",48.30388,-2.24857,
3364,[C:1]([C@@:2]([O:3][H:11])([C@@:4]1([H:12])[C:5]([H:13])([H:14])[N:6]1[H:15])[H:10])([H:7])([H:8])[H:9],[C:1]([C@@:2]([O:3][H:11])([C:4]([N:6]=[C:5]([H:13])[H:14])([H:12])[H:15])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-3(6)4-2-5-4/h3-6H,2H2,1H3/t3-,4-/m1/s1","InChI=1S/C4H9NO/c1-4(6)3-5-2/h4,6H,2-3H2,1H3/t4-/m1/s1",62.52025,-9.32437,
3365,[C:1]([C@@:2]([O:3][H:11])([C@@:4]1([H:12])[C:5]([H:13])([H:14])[N:6]1[H:15])[H:10])([H:7])([H:8])[H:9],[C:1](=[C:2]([C@@:4]1([H:12])[C:5]([H:13])([H:14])[N:6]1[H:15])[H:10])([H:8])[H:9].[O:3]([H:7])[H:11],"InChI=1S/C4H9NO/c1-3(6)4-2-5-4/h3-6H,2H2,1H3/t3-,4-/m1/s1","InChI=1S/C4H7N.H2O/c1-2-4-3-5-4;/h2,4-5H,1,3H2;1H2/t4-;/m0./s1",61.2449,17.4609,"1,3_Insertion_ROR"
3366,[C:1]([C@@:2]([O:3][H:11])([C@@:4]1([H:12])[C:5]([H:13])([H:14])[N:6]1[H:15])[H:10])([H:7])([H:8])[H:9],[C:1](/[C:2]([O:3][H:11])=[C:4](\[C:5]([N:6]([H:10])[H:15])([H:13])[H:14])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-3(6)4-2-5-4/h3-6H,2H2,1H3/t3-,4-/m1/s1","InChI=1S/C4H9NO/c1-4(6)2-3-5/h2,6H,3,5H2,1H3/b4-2+",69.26693,-14.12075,
3367,[C:1]([C@@:2]([O:3][H:11])([C@@:4]1([H:12])[C:5]([H:13])([H:14])[N:6]1[H:15])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2](=[O:3])[H:10])([C@@:4]1([H:12])[C:5]([H:13])([H:14])[N:6]1[H:15])([H:8])[H:9].[H:7][H:11],"InChI=1S/C4H9NO/c1-3(6)4-2-5-4/h3-6H,2H2,1H3/t3-,4-/m1/s1","InChI=1S/C4H7NO.H2/c6-2-1-4-3-5-4;/h2,4-5H,1,3H2;1H/t4-;/m0./s1",91.95132,26.29775,
3368,[C:1]([C@@:2]([O:3][H:11])([C@@:4]1([H:12])[C:5]([H:13])([H:14])[N:6]1[H:15])[H:10])([H:7])([H:8])[H:9],[C:1]([C@@:4]1([H:12])[C@:2]([O:3][H:11])([H:10])[C:5]([H:13])([H:14])[N:6]1[H:15])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-3(6)4-2-5-4/h3-6H,2H2,1H3/t3-,4-/m1/s1","InChI=1S/C4H9NO/c1-3-4(6)2-5-3/h3-6H,2H2,1H3/t3-,4-/m0/s1",79.18839,1.10755,
3369,[C:1]([C@@:2]([O:3][H:11])([C@@:4]1([H:12])[C:5]([H:13])([H:14])[N:6]1[H:15])[H:10])([H:7])([H:8])[H:9],[C:1]([C@@:2]([O:3][H:11])([C+:4]([N:6]([C-:5]([H:13])[H:14])[H:15])[H:12])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-3(6)4-2-5-4/h3-6H,2H2,1H3/t3-,4-/m1/s1","InChI=1S/C4H9NO/c1-4(6)3-5-2/h3-6H,2H2,1H3/t4-/m1/s1",43.23565,24.456139999999998,
3370,[C:1]([C@@:2]([O:3][H:11])([C@@:4]1([H:12])[C:5]([H:13])([H:14])[N:6]1[H:15])[H:10])([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:10].[C:2]([O:3][H:11])[C@@:4]1([H:12])[C:5]([H:13])([H:14])[N:6]1[H:15],"InChI=1S/C4H9NO/c1-3(6)4-2-5-4/h3-6H,2H2,1H3/t3-,4-/m1/s1","InChI=1S/C3H5NO.CH4/c5-2-3-1-4-3;/h3-5H,1H2;1H4/t3-;/m1./s1",68.03595,58.566930000000006,
3371,[C:1]([O:2][C:3](=[O:4])[N:5]([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([O:2][H:9])([H:6])([H:7])[H:8].[C:3](=[O:4])=[N:5][H:10],"InChI=1S/C2H5NO2/c1-5-2(3)4/h1H3,(H2,3,4)","InChI=1S/CHNO.CH4O/c2-1-3;1-2/h2H;2H,1H3",44.56837,18.75691,"1,3_Insertion_ROR"
3372,[C:1]([O:2][C:3](=[O:4])[N:5]([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([O:2]/[C:3]([O:4][H:10])=[N:5]\[H:9])([H:6])([H:7])[H:8],"InChI=1S/C2H5NO2/c1-5-2(3)4/h1H3,(H2,3,4)","InChI=1S/C2H5NO2/c1-5-2(3)4/h1H3,(H2,3,4)",46.0728,16.42471,ketoenol
3373,[C:1]([O:2][C:3](=[O:4])[N:5]([H:9])[H:10])([H:6])([H:7])[H:8],[C:1](=[O:2])([H:6])[H:8].[C:3](=[O:4])=[N:5][H:10].[H:7][H:9],"InChI=1S/C2H5NO2/c1-5-2(3)4/h1H3,(H2,3,4)",InChI=1S/CHNO.CH2O.H2/c2-1-3;1-2;/h2H;1H2;1H,65.9437,41.6306,
3374,[C:1]([O:2][C:3](=[O:4])[N:5]([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([O:2][N:5]=[C:3]=[O:4])([H:6])([H:7])[H:8].[H:9][H:10],"InChI=1S/C2H5NO2/c1-5-2(3)4/h1H3,(H2,3,4)",InChI=1S/C2H3NO2.H2/c1-5-3-2-4;/h1H3;1H,103.30264,81.60323000000001,
3375,[C:1]([O:2][C:3](=[O:4])[N:5]([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([O:2][C:3]=[O:4])([H:6])([H:7])[H:8].[N:5]([H:9])[H:10],"InChI=1S/C2H5NO2/c1-5-2(3)4/h1H3,(H2,3,4)",InChI=1S/C2H3O2.H2N/c1-4-2-3;/h1H3;1H2,108.79293999999999,102.81268,
3376,[C:1](#[C:2][C:3]([C:4]#[N:5])([H:7])[H:8])[H:6],[C:1](#[C:2][C:3]([N+:5]#[C-:4])([H:7])[H:8])[H:6],"InChI=1S/C4H3N/c1-2-3-4-5/h1H,3H2","InChI=1S/C4H3N/c1-3-4-5-2/h1H,4H2",58.26282,26.98729,
3377,[C:1](#[C:2][C:3]([C:4]#[N:5])([H:7])[H:8])[H:6],[C:1](#[C:2][C:3](=[C:4]=[N:5][H:7])[H:8])[H:6],"InChI=1S/C4H3N/c1-2-3-4-5/h1H,3H2","InChI=1S/C4H3N/c1-2-3-4-5/h1,3,5H",70.27894,11.31568,
3378,[C:1](#[C:2][C:3]([C:4]#[N:5])([H:7])[H:8])[H:6],[C:1](=[C:2]=[C:3]([C:4]#[N:5])[H:8])([H:6])[H:7],"InChI=1S/C4H3N/c1-2-3-4-5/h1H,3H2","InChI=1S/C4H3N/c1-2-3-4-5/h3H,1H2",58.58805,-10.805069999999999,
3379,[C:1](#[C:2][C:3]([C:4]#[N:5])([H:7])[H:8])[H:6],[C:1](=[C:2]=[C:3]([H:7])[H:8])([N+:5]#[C-:4])[H:6],"InChI=1S/C4H3N/c1-2-3-4-5/h1H,3H2","InChI=1S/C4H3N/c1-3-4-5-2/h4H,1H2",89.54215,16.97524,
3380,[C:1](#[C:2][C:3]([C:4]#[N:5])([H:7])[H:8])[H:6],[C:1](/[C:2](=[C:3](\[C:4]#[N:5])[H:8])[H:7])[H:6],"InChI=1S/C4H3N/c1-2-3-4-5/h1H,3H2",InChI=1S/C4H3N/c1-2-3-4-5/h1-3H/b3-2-,58.56901,55.90375,
3381,[C:1](#[C:2][C:3]([C:4]#[N:5])([H:7])[H:8])[H:6],[C:1](=[C:2])([C:3]([C:4]#[N:5])([H:7])[H:8])[H:6],"InChI=1S/C4H3N/c1-2-3-4-5/h1H,3H2","InChI=1S/C4H3N/c1-2-3-4-5/h2H,3H2",58.8613,51.60095,Singlet_Carbene_Intra_Disproportionation
3382,[C:1](#[C:2][C:3]([C:4]#[N:5])([H:7])[H:8])[H:6],[C:1](#[C:2][N:5]=[C:4]=[C:3]([H:7])[H:8])[H:6],"InChI=1S/C4H3N/c1-2-3-4-5/h1H,3H2","InChI=1S/C4H3N/c1-3-5-4-2/h1H,2H2",106.64346,21.61838,
3383,[C:1]([C@@:2]([O:3][H:11])([C@@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]1)[H:10])([H:7])([H:8])[H:9],[C:1]([C@@:2]([O:3][H:13])([C@@:4]([C:5][H:14])([O:6][H:11])[H:12])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-3(5)4-2-6-4/h3-5H,2H2,1H3/t3-,4-/m1/s1","InChI=1S/C4H8O2/c1-3(5)4(2)6/h1,3-6H,2H3/t3-,4-/m1/s1",58.90181,58.03371,
3384,[C:1]([C@@:2]([O:3][H:11])([C@@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]1)[H:10])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[O:3][C@@:4]1([C:5]([O:6][H:11])([H:13])[H:14])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-3(5)4-2-6-4/h3-5H,2H2,1H3/t3-,4-/m1/s1","InChI=1S/C4H8O2/c1-3-4(2-5)6-3/h3-5H,2H2,1H3/t3-,4-/m1/s1",43.0418,-1.17402,
3385,[C:1]([C@@:2]([O:3][H:11])([C@@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]1)[H:10])([H:7])([H:8])[H:9],[C:1]([C@@:2]([O:3][H:11])([C:4]([O+:6]=[C-:5][H:14])([H:12])[H:13])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-3(5)4-2-6-4/h3-5H,2H2,1H3/t3-,4-/m1/s1","InChI=1S/C4H8O2/c1-4(5)3-6-2/h2,4-5H,3H2,1H3/t4-/m1/s1",74.33447,47.22505,
3386,[C:1]([C@@:2]([O:3][H:11])([C@@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]1)[H:10])([H:7])([H:8])[H:9],[C:1](/[C:4](=[C:2](/[O:3][H:11])[H:10])[H:12])([H:7])([H:8])[H:9].[C:5](=[O:6])([H:13])[H:14],"InChI=1S/C4H8O2/c1-3(5)4-2-6-4/h3-5H,2H2,1H3/t3-,4-/m1/s1","InChI=1S/C3H6O.CH2O/c1-2-3-4;1-2/h2-4H,1H3;1H2/b3-2+;",64.03373,2.01608,
3387,[C:1]([C@@:2]([O:3][H:11])([C@@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]1)[H:10])([H:7])([H:8])[H:9],[C:1](=[C:2]([O:3][H:11])[C@@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]1)([H:7])[H:8].[H:9][H:10],"InChI=1S/C4H8O2/c1-3(5)4-2-6-4/h3-5H,2H2,1H3/t3-,4-/m1/s1","InChI=1S/C4H6O2.H2/c1-3(5)4-2-6-4;/h4-5H,1-2H2;1H/t4-;/m1./s1",98.54273,21.73936,
3388,[C:1]([C@@:2]([O:3][H:11])([C@@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]1)[H:10])([H:7])([H:8])[H:9],[C:1](/[C:2](=[C:4]1\[C:5]([H:13])([H:14])[O:6]1)[H:10])([H:7])([H:8])[H:9].[O:3]([H:11])[H:12],"InChI=1S/C4H8O2/c1-3(5)4-2-6-4/h3-5H,2H2,1H3/t3-,4-/m1/s1","InChI=1S/C4H6O.H2O/c1-2-4-3-5-4;/h2H,3H2,1H3;1H2/b4-2+;",69.65518,16.896320000000003,"1,3_Insertion_ROR"
3389,[C:1]([C@@:2]([O:3][H:11])([C@@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]1)[H:10])([H:7])([H:8])[H:9],[C:1](=[C:2]([O:3][H:11])[H:10])([H:7])[H:8].[C:4]([C:5]([H:9])([H:13])[H:14])(=[O:6])[H:12],"InChI=1S/C4H8O2/c1-3(5)4-2-6-4/h3-5H,2H2,1H3/t3-,4-/m1/s1","InChI=1S/2C2H4O/c2*1-2-3/h2H,1H3;2-3H,1H2",62.37056,-2.89648,
3390,[C:1]([C@@:2]([O:3][H:11])([C@@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]1)[H:10])([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:12].[C:2](\[O:3][H:11])(=[C:4]1\[C:5]([H:13])([H:14])[O:6]1)[H:10],"InChI=1S/C4H8O2/c1-3(5)4-2-6-4/h3-5H,2H2,1H3/t3-,4-/m1/s1","InChI=1S/C3H4O2.CH4/c4-1-3-2-5-3;/h1,4H,2H2;1H4/b3-1+;",82.12179,25.12579,
3391,[C:1]([C@@:2]([O:3][H:11])([C@@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]1)[H:10])([H:7])([H:8])[H:9],[C:1]([C@@:2]([O:3][H:11])([C-:4]=[O+:6][C:5]([H:12])([H:13])[H:14])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-3(5)4-2-6-4/h3-5H,2H2,1H3/t3-,4-/m1/s1","InChI=1S/C4H8O2/c1-4(5)3-6-2/h4-5H,1-2H3/t4-/m1/s1",73.43954000000001,40.22994,
3392,[C:1]([C@@:2]([O:3][H:11])([C@@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]1)[H:10])([H:7])([H:8])[H:9],[C:1](/[C:2]([O:3][H:11])=[C:4](\[C:5]([O:6][H:10])([H:13])[H:14])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-3(5)4-2-6-4/h3-5H,2H2,1H3/t3-,4-/m1/s1","InChI=1S/C4H8O2/c1-4(6)2-3-5/h2,5-6H,3H2,1H3/b4-2+",55.97835,-17.934829999999998,
3393,[C:1]([C@@:2]([O:3][H:11])([C@@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]1)[H:10])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C@@:4]([O:6][O:3][H:11])([H:12])[C:5]1([H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-3(5)4-2-6-4/h3-5H,2H2,1H3/t3-,4-/m1/s1","InChI=1S/C4H8O2/c1-3-2-4(3)6-5/h3-5H,2H2,1H3/t3-,4-/m1/s1",103.10656999999999,52.03457,
3394,[C:1]([C@@:2]([O:3][H:11])([C@@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]1)[H:10])([H:7])([H:8])[H:9],[C-:2]([O:3][H:11])([C@@:4]1([H:12])[C:5]([H:14])=[O+:6]1)[H:10].[C:1]([H:7])([H:8])([H:9])[H:13],"InChI=1S/C4H8O2/c1-3(5)4-2-6-4/h3-5H,2H2,1H3/t3-,4-/m1/s1",InChI=1S/C3H4O2.CH4/c4-1-3-2-5-3;/h1-4H;1H4/t3-;/m0./s1,91.08528000000001,91.65016,
3395,[C:1]([C@@:2]([O:3][H:11])([C@@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]1)[H:10])([H:7])([H:8])[H:9],[C:1]([C@:2]1([O:3][H:11])[C@:4]2([H:12])[C@@:5]1([H:14])[O:6]2)([H:7])([H:8])[H:9].[H:10][H:13],"InChI=1S/C4H8O2/c1-3(5)4-2-6-4/h3-5H,2H2,1H3/t3-,4-/m1/s1","InChI=1S/C4H6O2.H2/c1-4(5)2-3(4)6-2;/h2-3,5H,1H3;1H/t2-,3+,4-;",81.3812,55.3879,
3396,[C:1]([C@@:2]([O:3][H:11])([C@@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]1)[H:10])([H:7])([H:8])[H:9],[C:1]([C@@:2]([O:3][H:11])([C:4][C:5]([O:6][H:12])([H:13])[H:14])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-3(5)4-2-6-4/h3-5H,2H2,1H3/t3-,4-/m1/s1","InChI=1S/C4H8O2/c1-4(6)2-3-5/h4-6H,3H2,1H3/t4-/m1/s1",65.59561,62.33051999999999,
3397,[C:1]([C@@:2]([O:3][H:11])([C@@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]1)[H:10])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C@@:4]([O:3][H:11])([H:12])[O:6][C:5]1([H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-3(5)4-2-6-4/h3-5H,2H2,1H3/t3-,4-/m1/s1","InChI=1S/C4H8O2/c1-3-2-6-4(3)5/h3-5H,2H2,1H3/t3-,4-/m1/s1",78.09104,-8.7425,
3398,[C:1]([C@@:2]([O:3][H:11])([C@@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]1)[H:10])([H:7])([H:8])[H:9],[C:1]([C@@:2]([O:3][H:11])([O:6][C:5]([C:4][H:12])([H:13])[H:14])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-3(5)4-2-6-4/h3-5H,2H2,1H3/t3-,4-/m1/s1","InChI=1S/C4H8O2/c1-3-6-4(2)5/h1,4-5H,3H2,2H3/t4-/m0/s1",90.51674,74.01210999999999,
3399,[C:1]([C@@:2]([O:3][H:11])([C@@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]1)[H:10])([H:7])([H:8])[H:9],[C:1]([C@:2]([C:4](=[C:5]([H:13])[H:14])[H:12])([O:6][O:3][H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-3(5)4-2-6-4/h3-5H,2H2,1H3/t3-,4-/m1/s1","InChI=1S/C4H8O2/c1-3-4(2)6-5/h3-5H,1H2,2H3/t4-/m1/s1",112.23539,46.91362,
3400,[C:1]([C@@:2]([O:3][H:11])([C@@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]1)[H:10])([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:10].[C:2]([O:3][H:11])[C@@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]1,"InChI=1S/C4H8O2/c1-3(5)4-2-6-4/h3-5H,2H2,1H3/t3-,4-/m1/s1","InChI=1S/C3H4O2.CH4/c4-1-3-2-5-3;/h3-4H,2H2;1H4/t3-;/m0./s1",73.68139000000001,63.36085,
3401,[C:1]([C@@:2]([O:3][H:11])([C@@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]1)[H:10])([H:7])([H:8])[H:9],[C:1]([C@@:2]([O:3][H:11])([C:4](=[O+:6][C-:5]([H:13])[H:14])[H:12])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-3(5)4-2-6-4/h3-5H,2H2,1H3/t3-,4-/m1/s1","InChI=1S/C4H8O2/c1-4(5)3-6-2/h3-5H,2H2,1H3/t4-/m1/s1",53.8626,42.2983,
3402,[C:1]([C@@:2]([O:3][H:11])([C@@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]1)[H:10])([H:7])([H:8])[H:9],[C:1]([C:2](=[O:3])[C@@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]1)([H:7])([H:8])[H:9].[H:10][H:11],"InChI=1S/C4H8O2/c1-3(5)4-2-6-4/h3-5H,2H2,1H3/t3-,4-/m1/s1","InChI=1S/C4H6O2.H2/c1-3(5)4-2-6-4;/h4H,2H2,1H3;1H/t4-;/m1./s1",80.77469,17.18131,
3403,[O:1]([C:2]([C:3]([C:4]#[N:5])([H:9])[H:10])([H:7])[H:8])[H:6],[O:1]([C:2]([C:3]([N+:5]#[C-:4])([H:9])[H:10])([H:7])[H:8])[H:6],"InChI=1S/C3H5NO/c4-2-1-3-5/h5H,1,3H2","InChI=1S/C3H5NO/c1-4-2-3-5/h5H,2-3H2",60.35463000000001,26.61637,
3404,[O:1]([C:2]([C:3]([C:4]#[N:5])([H:9])[H:10])([H:7])[H:8])[H:6],[C:2](=[C:3]([C:4]#[N:5])[H:10])([H:7])[H:8].[O:1]([H:6])[H:9],"InChI=1S/C3H5NO/c4-2-1-3-5/h5H,1,3H2","InChI=1S/C3H3N.H2O/c1-2-3-4;/h2H,1H2;1H2",51.92367,9.59625,"1,3_Insertion_ROR"
3405,[O:1]([C:2]([C:3]([C:4]#[N:5])([H:9])[H:10])([H:7])[H:8])[H:6],[O:1]([C:2]([C:3](=[C:4]=[N:5][H:9])[H:10])([H:7])[H:8])[H:6],"InChI=1S/C3H5NO/c4-2-1-3-5/h5H,1,3H2","InChI=1S/C3H5NO/c4-2-1-3-5/h1,4-5H,3H2",81.32396999999999,20.39612,
3406,[O:1]([C:2]([C:3]([C:4]#[N:5])([H:9])[H:10])([H:7])[H:8])[H:6],[H:6][H:7].[O:1]=[C:2]([C:3]([C:4]#[N:5])([H:9])[H:10])[H:8],"InChI=1S/C3H5NO/c4-2-1-3-5/h5H,1,3H2","InChI=1S/C3H3NO.H2/c4-2-1-3-5;/h3H,1H2;1H",81.94242,20.521929999999998,
3407,[O:1]([C:2]([C:3]([C:4]#[N:5])([H:9])[H:10])([H:7])[H:8])[H:6],[O:1]([C:2]([N:5]=[C:4]=[C:3]([H:9])[H:10])([H:7])[H:8])[H:6],"InChI=1S/C3H5NO/c4-2-1-3-5/h5H,1,3H2","InChI=1S/C3H5NO/c1-2-4-3-5/h5H,1,3H2",61.81666,21.1234,
3408,[O:1]([C:2]([C:3]([C:4]#[N:5])([H:9])[H:10])([H:7])[H:8])[H:6],[O:1]1[C:2]([H:7])([H:8])[C:3]([H:9])([H:10])/[C:4]1=[N:5]/[H:6],"InChI=1S/C3H5NO/c4-2-1-3-5/h5H,1,3H2","InChI=1S/C3H5NO/c4-3-1-2-5-3/h4H,1-2H2/b4-3-",67.76195,8.85087,
3409,[C:1]([C@@:2]1([H:10])[O:3][C:4]([H:11])([H:12])[C:5]1=[O:6])([H:7])([H:8])[H:9],[C:1]([C:5]([C:4]([O+:3]=[C-:2][H:10])([H:11])[H:12])=[O:6])([H:7])([H:8])[H:9],"InChI=1S/C4H6O2/c1-3-4(5)2-6-3/h3H,2H2,1H3/t3-/m1/s1","InChI=1S/C4H6O2/c1-4(5)3-6-2/h2H,3H2,1H3",60.199690000000004,49.753440000000005,
3410,[C:1]([C@@:2]1([H:10])[O:3][C:4]([H:11])([H:12])[C:5]1=[O:6])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[O:3][C:4]([H:12])=[C:5]1[O:6][H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H6O2/c1-3-4(5)2-6-3/h3H,2H2,1H3/t3-/m1/s1","InChI=1S/C4H6O2/c1-3-4(5)2-6-3/h2-3,5H,1H3/t3-/m1/s1",73.65715,17.812839999999998,ketoenol
3411,[C:1]([C@@:2]1([H:10])[O:3][C:4]([H:11])([H:12])[C:5]1=[O:6])([H:7])([H:8])[H:9],[C:1]([C+:2]=[C:5]([C:4]([O:3][H:10])([H:11])[H:12])[O-:6])([H:7])([H:8])[H:9],"InChI=1S/C4H6O2/c1-3-4(5)2-6-3/h3H,2H2,1H3/t3-/m1/s1","InChI=1S/C4H6O2/c1-2-4(6)3-5/h5H,3H2,1H3",57.855090000000004,50.76211,
3412,[C:1]([C@@:2]1([H:10])[O:3][C:4]([H:11])([H:12])[C:5]1=[O:6])([H:7])([H:8])[H:9],[C:1](=[C:2]([O:3][C:4]([C:5](=[O:6])[H:8])([H:11])[H:12])[H:10])([H:7])[H:9],"InChI=1S/C4H6O2/c1-3-4(5)2-6-3/h3H,2H2,1H3/t3-/m1/s1","InChI=1S/C4H6O2/c1-2-6-4-3-5/h2-3H,1,4H2",70.97800000000001,6.40724,
3413,[C:1]([C@@:2]1([H:10])[O:3][C:4]([H:11])([H:12])[C:5]1=[O:6])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C-:5]=[O+:6]1)([H:7])([H:8])[H:9].[O:3]=[C:4]([H:11])[H:12],"InChI=1S/C4H6O2/c1-3-4(5)2-6-3/h3H,2H2,1H3/t3-/m1/s1","InChI=1S/C3H4O.CH2O/c1-3-2-4-3;1-2/h3H,1H3;1H2/t3-;/m0./s1",71.30305,70.63638,
3414,[C:1]([C@@:2]1([H:10])[O:3][C:4]([H:11])([H:12])[C:5]1=[O:6])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[O:3][C@:4]2([H:11])[C@@:5]1([H:12])[O:6]2)([H:7])([H:8])[H:9],"InChI=1S/C4H6O2/c1-3-4(5)2-6-3/h3H,2H2,1H3/t3-/m1/s1","InChI=1S/C4H6O2/c1-2-3-4(5-2)6-3/h2-4H,1H3/t2-,3+,4+/m1/s1",56.503980000000006,28.12613,
3415,[C:1]([C@@:2]1([H:10])[O:3][C:4]([H:11])([H:12])[C:5]1=[O:6])([H:7])([H:8])[H:9],[C:1]([C:5](=[C:2]([O+:3]=[C:4]([H:11])[H:12])[H:10])[O-:6])([H:7])([H:8])[H:9],"InChI=1S/C4H6O2/c1-3-4(5)2-6-3/h3H,2H2,1H3/t3-/m1/s1","InChI=1S/C4H6O2/c1-4(5)3-6-2/h3H,2H2,1H3",60.39536,31.498559999999998,
3416,[C:1]([C@@:2]1([H:10])[O:3][C:4]([H:11])([H:12])[C:5]1=[O:6])([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:10].[C:2]1=[O+:3][C:4]([H:11])([H:12])[C:5]=1[O-:6],"InChI=1S/C4H6O2/c1-3-4(5)2-6-3/h3H,2H2,1H3/t3-/m1/s1",InChI=1S/C3H2O2.CH4/c4-3-1-5-2-3;/h1H2;1H4,72.71595,65.6208,
3417,[C:1]([C@@:2]1([H:10])[O:3][C:4]([H:11])([H:12])[C:5]1=[O:6])([H:7])([H:8])[H:9],[C:1]([C:2]1=[C:5]([O:6][H:10])[C:4]([H:11])([H:12])[O:3]1)([H:7])([H:8])[H:9],"InChI=1S/C4H6O2/c1-3-4(5)2-6-3/h3H,2H2,1H3/t3-/m1/s1","InChI=1S/C4H6O2/c1-3-4(5)2-6-3/h5H,2H2,1H3",70.63705,16.3027,ketoenol
3418,[C:1]([C@@:2]1([H:10])[O:3][C:4]([H:11])([H:12])[C:5]1=[O:6])([H:7])([H:8])[H:9],[C:1]([C@@:2]([O+:3]=[C-:4][H:11])([C:5](=[O:6])[H:12])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H6O2/c1-3-4(5)2-6-3/h3H,2H2,1H3/t3-/m1/s1","InChI=1S/C4H6O2/c1-4(3-5)6-2/h2-4H,1H3/t4-/m1/s1",55.174380000000006,52.29483,
3419,[C:1]([C@@:2]1([H:10])[O:3][C:4]([H:11])([H:12])[C:5]1=[O:6])([H:7])([H:8])[H:9],[C:1]([C:2](=[O:3])[H:10])([H:7])([H:8])[H:9].[C:4](=[C:5]=[O:6])([H:11])[H:12],"InChI=1S/C4H6O2/c1-3-4(5)2-6-3/h3H,2H2,1H3/t3-/m1/s1","InChI=1S/C2H4O.C2H2O/c2*1-2-3/h2H,1H3;1H2",46.0943,0.30066,2+2_cycloaddition
3420,[C:1]([C@@:2]1([H:10])[O:3][C:4]([H:11])([H:12])[C:5]1=[O:6])([H:7])([H:8])[H:9],[C:1](=[C:2]([C:5]([C:4]([O:3][H:8])([H:11])[H:12])=[O:6])[H:10])([H:7])[H:9],"InChI=1S/C4H6O2/c1-3-4(5)2-6-3/h3H,2H2,1H3/t3-/m1/s1","InChI=1S/C4H6O2/c1-2-4(6)3-5/h2,5H,1,3H2",53.50082,-7.7263,
3421,[C:1]([C@@:2]1([H:10])[O:3][C:4]([H:11])([H:12])[C:5]1=[O:6])([H:7])([H:8])[H:9],[C:1]([C-:2]=[O+:3][C:4]([C:5](=[O:6])[H:10])([H:11])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H6O2/c1-3-4(5)2-6-3/h3H,2H2,1H3/t3-/m1/s1","InChI=1S/C4H6O2/c1-2-6-4-3-5/h3H,4H2,1H3",51.04144,48.312870000000004,
3422,[C:1]([C@@:2]1([H:10])[O:3][C:4]([H:11])([H:12])[C:5]1=[O:6])([H:7])([H:8])[H:9],[C-:5]#[O+:6].[C:1]([C@@:2]1([H:10])[O:3][C:4]1([H:11])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H6O2/c1-3-4(5)2-6-3/h3H,2H2,1H3/t3-/m1/s1","InChI=1S/C3H6O.CO/c1-3-2-4-3;1-2/h3H,2H2,1H3;/t3-;/m1./s1",81.09022,6.21898,
3423,[C:1]([C:2]([C:3]#[C:4][C:5]#[C:6][H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C-:3]=[C:4]1[C+:5]=[C:6]1[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C6H6/c1-3-5-6-4-2/h1H,4H2,2H3","InChI=1S/C6H6/c1-2-3-6-4-5-6/h4H,2H2,1H3",54.41344,58.21773,
3424,[C:1]([C:2]([C:3]#[C:4][C:5]#[C:6][H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]=[C:4]=[C:5]=[C:6]([H:11])[H:12])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C6H6/c1-3-5-6-4-2/h1H,4H2,2H3","InChI=1S/C6H6/c1-3-5-6-4-2/h4H,1H2,2H3",69.27525,-3.8578699999999997,Intra_ene_reaction
3425,[C:1]([C:2]([C:3]#[C:4][C:5]#[C:6][H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]([C-:4]=[C:5]=[C+:6][H:12])[H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C6H6/c1-3-5-6-4-2/h1H,4H2,2H3","InChI=1S/C6H6/c1-3-5-6-4-2/h1,4,6H,2H3",60.9307,44.56365,
3426,[C:1]([C:2]([C:3]#[C:4][C:5]#[C:6][H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]12[C:4]3=[C:5]1[C:6]23[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C6H6/c1-3-5-6-4-2/h1H,4H2,2H3","InChI=1S/C6H6/c1-2-6-3-4(6)5(3)6/h3H,2H2,1H3",93.59036,69.02614,
3427,[C:1]([C:2]([C:3]#[C:4][C:5]#[C:6][H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:4](=[C:3]=[C:2]([H:10])[H:11])[C:5]#[C:6][H:12])([H:7])([H:8])[H:9],"InChI=1S/C6H6/c1-3-5-6-4-2/h1H,4H2,2H3","InChI=1S/C6H6/c1-4-6(3)5-2/h1H,2H2,3H3",74.2558,1.9527,
3428,[C:1]([C:2]([C:3]#[C:4][C:5]#[C:6][H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:4](=[C:3])[C:5]#[C:6][H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C6H6/c1-3-5-6-4-2/h1H,4H2,2H3","InChI=1S/C6H6/c1-4-6(3)5-2/h1H,5H2,2H3",60.64646,60.3795,
3429,[C:1]([C:2]([C:3]#[C:4][C:5]#[C:6][H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3](=[C+:4][C:5]#[C-:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C6H6/c1-3-5-6-4-2/h1H,4H2,2H3","InChI=1S/C6H6/c1-3-5-6-4-2/h5H,3H2,1H3",100.21243,47.56944,
3430,[C:1]([C:2]([C@@:3]1([H:12])[C:4]([H:13])([H:14])[N:5]1[C:6]([H:15])([H:16])[H:17])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([N:5]([C:4]([C:3](=[C:2]([H:10])[H:11])[H:12])([H:13])[H:14])[C:6]([H:15])([H:16])[H:17])([H:7])([H:8])[H:9],"InChI=1S/C5H11N/c1-3-5-4-6(5)2/h5H,3-4H2,1-2H3/t5-,6?/m0/s1","InChI=1S/C5H11N/c1-4-5-6(2)3/h4H,1,5H2,2-3H3",89.89875,-2.266,
3431,[C:1]([C:2]([C@@:3]1([H:12])[C:4]([H:13])([H:14])[N:5]1[C:6]([H:15])([H:16])[H:17])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C-:3]1[C:4]([H:13])([H:14])[N+:5]1([C:6]([H:15])([H:16])[H:17])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H11N/c1-3-5-4-6(5)2/h5H,3-4H2,1-2H3/t5-,6?/m0/s1","InChI=1S/C5H11N/c1-3-5-4-6(5)2/h6H,3-4H2,1-2H3",70.8363,51.61464,
3432,[C:1]([C:2]([C@@:3]1([H:12])[C:4]([H:13])([H:14])[N:5]1[C:6]([H:15])([H:16])[H:17])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C@@:3]1([H:12])[C-:4]([H:14])[N+:5]1([C:6]([H:15])([H:16])[H:17])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H11N/c1-3-5-4-6(5)2/h5H,3-4H2,1-2H3/t5-,6?/m0/s1","InChI=1S/C5H11N/c1-3-5-4-6(5)2/h4-6H,3H2,1-2H3/t5-/m0/s1",62.371790000000004,52.27456,
3433,[C:1]([C:2]([C@@:3]1([H:12])[C:4]([H:13])([H:14])[N:5]1[C:6]([H:15])([H:16])[H:17])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3][C:4]([N:5]([C:6]([H:15])([H:16])[H:17])[H:12])([H:13])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H11N/c1-3-5-4-6(5)2/h5H,3-4H2,1-2H3/t5-,6?/m0/s1","InChI=1S/C5H11N/c1-3-4-5-6-2/h6H,3,5H2,1-2H3",70.83733000000001,64.31099,
3434,[C:1]([C:2]([C@@:3]1([H:12])[C:4]([H:13])([H:14])[N:5]1[C:6]([H:15])([H:16])[H:17])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3](=[N+:5]([C-:4]([H:13])[H:14])[C:6]([H:15])([H:16])[H:17])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H11N/c1-3-5-4-6(5)2/h5H,3-4H2,1-2H3/t5-,6?/m0/s1","InChI=1S/C5H11N/c1-4-5-6(2)3/h5H,2,4H2,1,3H3",38.28425,22.11908,
3435,[C:1]([C:2]([C@@:3]1([H:12])[C:4]([H:13])([H:14])[N:5]1[C:6]([H:15])([H:16])[H:17])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C@@:3]1([H:12])[C:4]([H:14])=[N+:5]1[C-:6]([H:16])[H:17])([H:10])[H:11])([H:7])([H:8])[H:9].[H:13][H:15],"InChI=1S/C5H11N/c1-3-5-4-6(5)2/h5H,3-4H2,1-2H3/t5-,6?/m0/s1","InChI=1S/C5H9N.H2/c1-3-5-4-6(5)2;/h4-5H,2-3H2,1H3;1H/t5-;/m0./s1",70.68754,63.708690000000004,
3436,[C:1]([C:2]([C@@:3]1([H:12])[C:4]([H:13])([H:14])[N:5]1[C:6]([H:15])([H:16])[H:17])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]([H:11])[H:12])[H:10])([H:7])([H:8])[H:9].[C:4](=[N:5][C:6]([H:15])([H:16])[H:17])([H:13])[H:14],"InChI=1S/C5H11N/c1-3-5-4-6(5)2/h5H,3-4H2,1-2H3/t5-,6?/m0/s1","InChI=1S/C3H6.C2H5N/c2*1-3-2/h3H,1H2,2H3;1H2,2H3",85.96141,5.72091,
3437,[C:1]([C:2]([C@@:3]1([H:12])[C:4]([H:13])([H:14])[N:5]1[C:6]([H:15])([H:16])[H:17])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C@@:3]([N:5]=[C:4]([H:13])[H:14])([C:6]([H:15])([H:16])[H:17])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H11N/c1-3-5-4-6(5)2/h5H,3-4H2,1-2H3/t5-,6?/m0/s1","InChI=1S/C5H11N/c1-4-5(2)6-3/h5H,3-4H2,1-2H3/t5-/m0/s1",86.0225,-17.06091,
3438,[C:1]([C:2]([C@@:3]1([H:12])[C:4]([H:13])([H:14])[N:5]1[C:6]([H:15])([H:16])[H:17])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([N+:5]1([C:6]([H:15])([H:16])[H:17])[C-:3]([H:12])[C:4]1([H:13])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H11N/c1-3-5-4-6(5)2/h5H,3-4H2,1-2H3/t5-,6?/m0/s1","InChI=1S/C5H11N/c1-3-6(2)4-5-6/h4H,3,5H2,1-2H3",97.6546,57.35426,
3439,[C:1]([C:2]([C@@:3]1([H:12])[C:4]([H:13])([H:14])[N:5]1[C:6]([H:15])([H:16])[H:17])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]1=[N+:5]([C-:6]([H:16])[H:17])[C:4]1([H:13])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9].[H:12][H:15],"InChI=1S/C5H11N/c1-3-5-4-6(5)2/h5H,3-4H2,1-2H3/t5-,6?/m0/s1","InChI=1S/C5H9N.H2/c1-3-5-4-6(5)2;/h2-4H2,1H3;1H",68.77041,63.14682,
3440,[C:1]([C:2]([C@@:3]1([H:12])[C:4]([H:13])([H:14])[N:5]1[C:6]([H:15])([H:16])[H:17])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([H:10])([H:11])[H:13])([H:7])([H:8])[H:9].[C:3]1([H:12])=[C:4]([H:14])[N:5]1[C:6]([H:15])([H:16])[H:17],"InChI=1S/C5H11N/c1-3-5-4-6(5)2/h5H,3-4H2,1-2H3/t5-,6?/m0/s1","InChI=1S/C3H5N.C2H6/c1-4-2-3-4;1-2/h2-3H,1H3;1-2H3",122.40553,61.34024,
3441,[C:1]([C:2]([C@@:3]1([H:12])[C:4]([H:13])([H:14])[N:5]1[C:6]([H:15])([H:16])[H:17])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](/[C:3](=[N:5]\[C:4]([C:6]([H:15])([H:16])[H:17])([H:13])[H:14])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H11N/c1-3-5-4-6(5)2/h5H,3-4H2,1-2H3/t5-,6?/m0/s1","InChI=1S/C5H11N/c1-3-5-6-4-2/h5H,3-4H2,1-2H3/b6-5-",86.93279,-17.7644,
3442,[C:1]([n:2]1[c:3]([H:10])[n:4][n:5][c:6]1[H:11])([H:7])([H:8])[H:9],[C:1]([C@:6]1([H:11])[N:2]=[C:3]([H:10])[N:4]=[N:5]1)([H:7])([H:8])[H:9],"InChI=1S/C3H5N3/c1-6-2-4-5-3-6/h2-3H,1H3","InChI=1S/C3H5N3/c1-3-4-2-5-6-3/h2-3H,1H3/t3-/m1/s1",59.32451,17.46507,
3443,[C:1]([n:2]1[c:3]([H:10])[n:4][n:5][c:6]1[H:11])([H:7])([H:8])[H:9],[C:1](/[N:2]=[C:3](/[N-:4][N+:5]#[C:6][H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C3H5N3/c1-6-2-4-5-3-6/h2-3H,1H3","InChI=1S/C3H5N3/c1-4-3-6-5-2/h2-3H,1H3/b4-3+",54.52071,48.31385,
3444,[C:1]([n:2]1[c:3]([H:10])[n:4][n:5][c:6]1[H:11])([H:7])([H:8])[H:9],[C-:1]([N+:2]1([H:8])[C:3]([H:10])=[N:4][N:5]=[C:6]1[H:11])([H:7])[H:9],"InChI=1S/C3H5N3/c1-6-2-4-5-3-6/h2-3H,1H3","InChI=1S/C3H5N3/c1-6-2-4-5-3-6/h2-3,6H,1H2",97.59875,94.84026,
3445,[C:1]([n:2]1[c:3]([H:10])[n:4][n:5][c:6]1[H:11])([H:7])([H:8])[H:9],[C-:1]([n+:2]1[c:3]([H:10])[n:4][n:5]([H:8])[c:6]1[H:11])([H:7])[H:9],"InChI=1S/C3H5N3/c1-6-2-4-5-3-6/h2-3H,1H3","InChI=1S/C3H5N3/c1-6-2-4-5-3-6/h2-4H,1H2",115.404,47.68881,
3446,[C:1]([n:2]1[c:3]([H:10])[n:4][n:5][c:6]1[H:11])([H:7])([H:8])[H:9],[C:1](=[N+:2]1[C:3]([H:8])([H:10])[N-:4][N:5]=[C:6]1[H:11])([H:7])[H:9],"InChI=1S/C3H5N3/c1-6-2-4-5-3-6/h2-3H,1H3","InChI=1S/C3H5N3/c1-6-2-4-5-3-6/h2H,1,3H2",92.09132,43.36247,
3447,[C:1]([n:2]1[c:3]([H:10])[n:4][n:5][c:6]1[H:11])([H:7])([H:8])[H:9],[C:1](=[N:2]/[C:6](=[N:5]\[N+:4]#[C-:3])[H:11])([H:7])[H:9].[H:8][H:10],"InChI=1S/C3H5N3/c1-6-2-4-5-3-6/h2-3H,1H3","InChI=1S/C3H3N3.H2/c1-4-3-6-5-2;/h3H,1H2;1H/b6-3-;",106.6272,75.18472,
3448,[C:1]([n:2]1[c:3]([H:10])[n:4][n:5][c:6]1[H:11])([H:7])([H:8])[H:9],[C:1]([N:2]=[C:6]=[N:5][H:11])([H:7])([H:8])[H:9].[C:3](#[N:4])[H:10],"InChI=1S/C3H5N3/c1-6-2-4-5-3-6/h2-3H,1H3","InChI=1S/C2H4N2.CHN/c1-4-2-3;1-2/h3H,1H3;1H",82.2171,12.35851,
3449,[C:1]([n:2]1[c:3]([H:10])[n:4][n:5][c:6]1[H:11])([H:7])([H:8])[H:9],[C:1]1([H:7])([H:9])[N:2]2[C@@:3]1([H:10])[N:4]=[N:5][C:6]2([H:8])[H:11],"InChI=1S/C3H5N3/c1-6-2-4-5-3-6/h2-3H,1H3","InChI=1S/C3H5N3/c1-3-5-4-2-6(1)3/h3H,1-2H2/t3-,6?/m1/s1",108.26553999999999,45.019459999999995,
3450,[C:1](/[N:2]=[C:3](\[N:4]([H:10])[H:11])[C:5](=[O:6])[H:12])([H:7])([H:8])[H:9],[C:1](/[C:3](=[N:2]/[C:5](=[O:6])[H:12])[N:4]([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C3H6N2O/c1-5-3(4)2-6/h2H,1H3,(H2,4,5)","InChI=1S/C3H6N2O/c1-3(4)5-2-6/h2H,1H3,(H2,4,5,6)",106.17633000000001,-17.703670000000002,
3451,[C:1](/[N:2]=[C:3](\[N:4]([H:10])[H:11])[C:5](=[O:6])[H:12])([H:7])([H:8])[H:9],[C:1]([N:2](/[C:3](=[N:4]/[H:11])[C:5](=[O:6])[H:12])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C3H6N2O/c1-5-3(4)2-6/h2H,1H3,(H2,4,5)","InChI=1S/C3H6N2O/c1-5-3(4)2-6/h2H,1H3,(H2,4,5)",45.521370000000005,7.3692899999999995,
3452,[C:1](/[N:2]=[C:3](\[N:4]([H:10])[H:11])[C:5](=[O:6])[H:12])([H:7])([H:8])[H:9],[C:1](=[N:2]/[C:3](=[N:4]/[H:10])[C:5](=[O:6])[H:12])([H:7])[H:8].[H:9][H:11],"InChI=1S/C3H6N2O/c1-5-3(4)2-6/h2H,1H3,(H2,4,5)","InChI=1S/C3H4N2O.H2/c1-5-3(4)2-6;/h2,4H,1H2;1H/b4-3+;",49.33842,36.84347,
3453,[C:1](/[N:2]=[C:3](\[N:4]([H:10])[H:11])[C:5](=[O:6])[H:12])([H:7])([H:8])[H:9],[C:1](/[N:2]=[C:3](\[N:4]([H:10])[H:11])[C-:5]=[O+:6][H:12])([H:7])([H:8])[H:9],"InChI=1S/C3H6N2O/c1-5-3(4)2-6/h2H,1H3,(H2,4,5)","InChI=1S/C3H6N2O/c1-5-3(4)2-6/h6H,1H3,(H2,4,5)",85.00995999999999,57.95905,
3454,[C:1](/[N:2]=[C:3](\[N:4]([H:10])[H:11])[C:5](=[O:6])[H:12])([H:7])([H:8])[H:9],[C:1](=[N:2]/[C:3]([N:4]([H:10])[H:11])=[C:5](\[O:6][H:9])[H:12])([H:7])[H:8],"InChI=1S/C3H6N2O/c1-5-3(4)2-6/h2H,1H3,(H2,4,5)","InChI=1S/C3H6N2O/c1-5-3(4)2-6/h2,6H,1,4H2/b3-2-",38.65305,22.01155,
3455,[C:1](/[N:2]=[C:3](\[N:4]([H:10])[H:11])[C:5](=[O:6])[H:12])([H:7])([H:8])[H:9],[C:1](/[N:2]=[C:5](/[C:3]([N:4]([H:10])[H:11])=[O:6])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C3H6N2O/c1-5-3(4)2-6/h2H,1H3,(H2,4,5)","InChI=1S/C3H6N2O/c1-5-2-3(4)6/h2H,1H3,(H2,4,6)/b5-2+",80.20114000000001,-9.32131,
3456,[C:1](/[N:2]=[C:3](\[N:4]([H:10])[H:11])[C:5](=[O:6])[H:12])([H:7])([H:8])[H:9],[C:1]([N:2]=[C:3]=[N:4][H:11])([H:7])([H:8])[H:9].[C:5](=[O:6])([H:10])[H:12],"InChI=1S/C3H6N2O/c1-5-3(4)2-6/h2H,1H3,(H2,4,5)","InChI=1S/C2H4N2.CH2O/c1-4-2-3;1-2/h3H,1H3;1H2",82.25828,26.785859999999996,
3457,[C:1](/[N:2]=[C:3](\[N:4]([H:10])[H:11])[C:5](=[O:6])[H:12])([H:7])([H:8])[H:9],[C:1]([C:5](=[O:6])[H:12])([H:7])([H:8])[H:9].[N:2]#[C:3][N:4]([H:10])[H:11],"InChI=1S/C3H6N2O/c1-5-3(4)2-6/h2H,1H3,(H2,4,5)","InChI=1S/C2H4O.CH2N2/c1-2-3;2-1-3/h2H,1H3;2H2",79.99993,14.01365,
3458,[C:1](/[N:2]=[C:3](\[N:4]([H:10])[H:11])[C:5](=[O:6])[H:12])([H:7])([H:8])[H:9],[C+:1]([N:2]([C:3]([N:4]([H:10])[H:11])=[C:5]([O-:6])[H:12])[H:9])([H:7])[H:8],"InChI=1S/C3H6N2O/c1-5-3(4)2-6/h2H,1H3,(H2,4,5)","InChI=1S/C3H6N2O/c1-5-3(4)2-6/h2,5H,1,4H2",61.863640000000004,22.92517,
3459,[C:1](/[N:2]=[C:3](\[N:4]([H:10])[H:11])[C:5](=[O:6])[H:12])([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:11].[N:2](=[C:3]=[N:4][H:10])[C:5](=[O:6])[H:12],"InChI=1S/C3H6N2O/c1-5-3(4)2-6/h2H,1H3,(H2,4,5)",InChI=1S/C2H2N2O.CH4/c3-1-4-2-5;/h2-3H;1H4,88.11921,4.39425,
3460,[C:1](/[N:2]=[C:3](\[N:4]([H:10])[H:11])[C:5](=[O:6])[H:12])([H:7])([H:8])[H:9],[C-:5]#[O+:6].[C:1]([N:2]([C:3][N:4]([H:10])[H:11])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C3H6N2O/c1-5-3(4)2-6/h2H,1H3,(H2,4,5)","InChI=1S/C2H6N2.CO/c1-4-2-3;1-2/h4H,3H2,1H3;",48.5425,36.07601,
3461,[C:1](/[N:2]=[C:3](\[N:4]([H:10])[H:11])[C:5](=[O:6])[H:12])([H:7])([H:8])[H:9],[C:1](=[N:2][C@:3]([N:4]([H:10])[H:11])([C:5](=[O:6])[H:12])[H:9])([H:7])[H:8],"InChI=1S/C3H6N2O/c1-5-3(4)2-6/h2H,1H3,(H2,4,5)","InChI=1S/C3H6N2O/c1-5-3(4)2-6/h2-3H,1,4H2/t3-/m0/s1",94.61953000000001,22.33304,
3462,[C:1](/[N:2]=[C:3](\[N:4]([H:10])[H:11])[C:5](=[O:6])[H:12])([H:7])([H:8])[H:9],[C:1](=[N:2][C:3]([N+:4]([H:9])([H:10])[H:11])=[C:5]([O-:6])[H:12])([H:7])[H:8],"InChI=1S/C3H6N2O/c1-5-3(4)2-6/h2H,1H3,(H2,4,5)","InChI=1S/C3H6N2O/c1-5-3(4)2-6/h2,6H,1,4H2",47.312529999999995,24.99795,
3463,[C:1](/[N:2]=[C:3](\[N:4]([H:10])[H:11])[C:5](=[O:6])[H:12])([H:7])([H:8])[H:9],[C-:5]#[O+:6].[C:1]([N+:2]#[C-:3])([H:7])([H:8])[H:9].[N:4]([H:10])([H:11])[H:12],"InChI=1S/C3H6N2O/c1-5-3(4)2-6/h2H,1H3,(H2,4,5)",InChI=1S/C2H3N.CO.H3N/c1-3-2;1-2;/h1H3;;1H3,72.49905,33.413579999999996,
3464,[C:1](/[N:2]=[C:3](\[N:4]([H:10])[H:11])[C:5](=[O:6])[H:12])([H:7])([H:8])[H:9],[C-:1]([N+:2]1=[C:3]([N:4]([H:10])[H:11])[C@:5]1([O:6][H:9])[H:12])([H:7])[H:8],"InChI=1S/C3H6N2O/c1-5-3(4)2-6/h2H,1H3,(H2,4,5)","InChI=1S/C3H6N2O/c1-5-2(4)3(5)6/h3,6H,1,4H2/t3-/m1/s1",79.60656,73.12144,
3465,[C:1](/[N:2]=[C:3](\[N:4]([H:10])[H:11])[C:5](=[O:6])[H:12])([H:7])([H:8])[H:9],[C:1]([N:4]([H:10])[H:11])([H:7])([H:8])[H:9].[N:2]#[C:3][C:5](=[O:6])[H:12],"InChI=1S/C3H6N2O/c1-5-3(4)2-6/h2H,1H3,(H2,4,5)","InChI=1S/C2HNO.CH5N/c3-1-2-4;1-2/h2H;2H2,1H3",82.4872,28.804470000000002,
3466,[C:1](#[C:2][C:3]([C:4]#[C:5][H:9])([H:7])[H:8])[H:6],[C:1](#[C:2][C:3]([C:5](=[C:4])[H:9])([H:7])[H:8])[H:6],"InChI=1S/C5H4/c1-3-5-4-2/h1-2H,5H2","InChI=1S/C5H4/c1-3-5-4-2/h1,4H,5H2",57.65152,50.88296,Singlet_Carbene_Intra_Disproportionation
3467,[C:1](#[C:2][C:3]([C:4]#[C:5][H:9])([H:7])[H:8])[H:6],[C:1](=[C:2]=[C:3]([C:4]#[C:5][H:9])[H:8])([H:6])[H:7],"InChI=1S/C5H4/c1-3-5-4-2/h1-2H,5H2","InChI=1S/C5H4/c1-3-5-4-2/h1,5H,2H2",60.54309,-11.5546,
3468,[C:1](#[C:2][C:3]([C:4]#[C:5][H:9])([H:7])[H:8])[H:6],[C:1]1([H:6])=[C-:2][C:3]([H:7])([H:8])[C+:4]=[C:5]1[H:9],"InChI=1S/C5H4/c1-3-5-4-2/h1-2H,5H2","InChI=1S/C5H4/c1-2-4-5-3-1/h1-2H,5H2",76.923,47.82606,
3469,[O:1]=[C:2]([C:3]1([H:7])[C:4]([H:8])([H:9])[C:5]1([H:10])[H:11])[H:6],[O:1]=[C:2]([C:4]([C:3](=[C:5]([H:10])[H:11])[H:7])([H:8])[H:9])[H:6],"InChI=1S/C4H6O/c5-3-4-1-2-4/h3-4H,1-2H2","InChI=1S/C4H6O/c1-2-3-4-5/h2,4H,1,3H2",72.86391,-1.7853400000000001,
3470,[O:1]=[C:2]([C:3]1([H:7])[C:4]([H:8])([H:9])[C:5]1([H:10])[H:11])[H:6],[O:1]1[C@:2]([C:3](=[C:5]([H:10])[H:11])[H:7])([H:6])[C:4]1([H:8])[H:9],"InChI=1S/C4H6O/c5-3-4-1-2-4/h3-4H,1-2H2","InChI=1S/C4H6O/c1-2-4-3-5-4/h2,4H,1,3H2/t4-/m0/s1",84.58549000000001,19.33995,
3471,[O:1]=[C:2]([C:3]1([H:7])[C:4]([H:8])([H:9])[C:5]1([H:10])[H:11])[H:6],[C:3]1([H:7])=[C:5]([H:10])[C:4]1([H:8])[H:9].[H:6][H:11].[O+:1]#[C-:2],"InChI=1S/C4H6O/c5-3-4-1-2-4/h3-4H,1-2H2","InChI=1S/C3H4.CO.H2/c1-2-3-1;1-2;/h1-2H,3H2;;1H",77.64223,57.756980000000006,
3472,[O:1]=[C:2]([C:3]1([H:7])[C:4]([H:8])([H:9])[C:5]1([H:10])[H:11])[H:6],[O:1]([C:2][C:3]1([H:7])[C:4]([H:8])([H:9])[C:5]1([H:10])[H:11])[H:6],"InChI=1S/C4H6O/c5-3-4-1-2-4/h3-4H,1-2H2","InChI=1S/C4H6O/c5-3-4-1-2-4/h4-5H,1-2H2",79.36901,52.581630000000004,
3473,[O:1]=[C:2]([C:3]1([H:7])[C:4]([H:8])([H:9])[C:5]1([H:10])[H:11])[H:6],[O:1]([C:2](=[C:3]1[C:4]([H:8])([H:9])[C:5]1([H:10])[H:11])[H:6])[H:7],"InChI=1S/C4H6O/c5-3-4-1-2-4/h3-4H,1-2H2","InChI=1S/C4H6O/c5-3-4-1-2-4/h3,5H,1-2H2",67.16599000000001,16.06148,ketoenol
3474,[O:1]=[C:2]([C:3]1([H:7])[C:4]([H:8])([H:9])[C:5]1([H:10])[H:11])[H:6],[O:1]=[C:2]=[C:3]([C:5]([C:4]([H:6])([H:8])[H:9])([H:10])[H:11])[H:7],"InChI=1S/C4H6O/c5-3-4-1-2-4/h3-4H,1-2H2","InChI=1S/C4H6O/c1-2-3-4-5/h3H,2H2,1H3",48.65647,-7.325819999999999,
3475,[O:1]=[C:2]([C:3]1([H:7])[C:4]([H:8])([H:9])[C:5]1([H:10])[H:11])[H:6],[O:1]1[C:2]([H:6])=[C:3]([H:7])[C:4]([H:8])([H:9])[C:5]1([H:10])[H:11],"InChI=1S/C4H6O/c5-3-4-1-2-4/h3-4H,1-2H2","InChI=1S/C4H6O/c1-2-4-5-3-1/h1,3H,2,4H2",43.87826,-1.2433299999999998,ketoenol
3476,[O:1]=[C:2]([C:3]1([H:7])[C:4]([H:8])([H:9])[C:5]1([H:10])[H:11])[H:6],[C:4](=[C:5]([H:10])[H:11])([H:8])[H:9].[O-:1][C:3](=[C+:2][H:6])[H:7],"InChI=1S/C4H6O/c5-3-4-1-2-4/h3-4H,1-2H2",InChI=1S/C2H2O.C2H4/c1-2-3;1-2/h1-2H;1-2H2,94.63233000000001,92.15759,
3477,[O:1]=[C:2]([C:3]1([H:7])[C:4]([H:8])([H:9])[C:5]1([H:10])[H:11])[H:6],[O:1]1[C@:2]2([H:6])[C@@:3]1([H:7])[C:4]([H:8])([H:9])[C:5]2([H:10])[H:11],"InChI=1S/C4H6O/c5-3-4-1-2-4/h3-4H,1-2H2","InChI=1S/C4H6O/c1-2-4-3(1)5-4/h3-4H,1-2H2/t3-,4+",69.00565999999999,27.438709999999997,
3478,[O:1]=[C:2]([C:3]1([H:7])[C:4]([H:8])([H:9])[C:5]1([H:10])[H:11])[H:6],[H:7][H:8].[O:1]=[C:2]([C:3]1=[C:4]([H:9])[C:5]1([H:10])[H:11])[H:6],"InChI=1S/C4H6O/c5-3-4-1-2-4/h3-4H,1-2H2","InChI=1S/C4H4O.H2/c5-3-4-1-2-4;/h1,3H,2H2;1H",114.92431,55.75232,
3479,[O:1]=[C:2]([C:3]1([H:7])[C:4]([H:8])([H:9])[C:5]1([H:10])[H:11])[H:6],[O+:1](=[C:2]([C:3](=[C:4]([H:8])[H:9])[H:7])[H:6])[C-:5]([H:10])[H:11],"InChI=1S/C4H6O/c5-3-4-1-2-4/h3-4H,1-2H2","InChI=1S/C4H6O/c1-3-4-5-2/h3-4H,1-2H2",84.50798,50.805409999999995,
3480,[O:1]=[C:2]([C:3]1([H:7])[C:4]([H:8])([H:9])[C:5]1([H:10])[H:11])[H:6],[O+:1](=[C-:2][H:6])[C:3]1([H:7])[C:4]([H:8])([H:9])[C:5]1([H:10])[H:11],"InChI=1S/C4H6O/c5-3-4-1-2-4/h3-4H,1-2H2","InChI=1S/C4H6O/c1-5-4-2-3-4/h1,4H,2-3H2",115.84472,71.79673000000001,
3481,[C:1]([C:2]([C:3](=[O:4])[C:5]#[N:6])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3](=[O:4])[N+:6]#[C-:5])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-2-4(6)3-5/h2H2,1H3","InChI=1S/C4H5NO/c1-3-4(6)5-2/h3H2,1H3",40.8279,17.22105,
3482,[C:1]([C:2]([C:3](=[O:4])[C:5]#[N:6])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]([O-:4])=[C+:5][N:6]1[H:7],"InChI=1S/C4H5NO/c1-2-4(6)3-5/h2H2,1H3","InChI=1S/C4H5NO/c6-4-1-2-5-3-4/h5H,1-2H2",72.30946,39.08062,
3483,[C:1]([C:2]([C:3](=[O:4])[C:5]#[N:6])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:5]#[N:6])([H:7])([H:8])[H:9].[C:2](=[C:3]=[O:4])([H:10])[H:11],"InChI=1S/C4H5NO/c1-2-4(6)3-5/h2H2,1H3",InChI=1S/C2H3N.C2H2O/c2*1-2-3/h1H3;1H2,83.46143000000001,13.512770000000002,
3484,[C:1]([C:2]([C:3](=[O:4])[C:5]#[N:6])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:11].[C:2](=[C:3]=[O:4])([C:5]#[N:6])[H:10],"InChI=1S/C4H5NO/c1-2-4(6)3-5/h2H2,1H3",InChI=1S/C3HNO.CH4/c4-2-1-3-5;/h1H;1H4,82.81097,12.391760000000001,
3485,[C:1]([C:2]([C:3](=[O:4])[C:5]#[N:6])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]=[O:4])[H:10])([H:7])([H:8])[H:9].[C:5]=[N:6][H:11],"InChI=1S/C4H5NO/c1-2-4(6)3-5/h2H2,1H3","InChI=1S/C3H4O.CHN/c1-2-3-4;1-2/h2H,1H3;2H",64.12668000000001,43.58164,
3486,[C:1]([C:2]([C:3](=[O:4])[C:5]#[N:6])([H:10])[H:11])([H:7])([H:8])[H:9],[C-:3]#[O+:4].[C:1](=[C:2]([H:10])[H:11])([H:8])[H:9].[C:5](#[N:6])[H:7],"InChI=1S/C4H5NO/c1-2-4(6)3-5/h2H2,1H3",InChI=1S/C2H4.CHN.CO/c3*1-2/h1-2H2;1H;,57.2118,30.15786,
3487,[C:1]([C:2]([C:3](=[O:4])[C:5]#[N:6])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C@:2]1([H:10])[C@:3]([C:5]#[N:6])([H:11])[O:4]1)([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-2-4(6)3-5/h2H2,1H3","InChI=1S/C4H5NO/c1-3-4(2-5)6-3/h3-4H,1H3/t3-,4-/m1/s1",79.66345,22.3794,
3488,[C:1]([C:2]([C:3](=[O:4])[C:5]#[N:6])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([N:6]=[C:5]=[C:3]=[O:4])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-2-4(6)3-5/h2H2,1H3","InChI=1S/C4H5NO/c1-2-5-3-4-6/h2H2,1H3",79.0766,38.135909999999996,
3489,[C:1]([C:2]([C:3](=[O:4])[C:5]#[N:6])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](/[C:2](=[C:3](\[O:4][H:11])[C:5]#[N:6])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-2-4(6)3-5/h2H2,1H3","InChI=1S/C4H5NO/c1-2-4(6)3-5/h2,6H,1H3/b4-2-",66.9102,3.87868,ketoenol
3490,[C:1]([C:2]([C:3](=[O:4])[C:5]#[N:6])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C-:3]=[O+:4][C:5]#[N:6])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-2-4(6)3-5/h2H2,1H3","InChI=1S/C4H5NO/c1-2-3-6-4-5/h2H2,1H3",93.82658,79.24762,
3491,[C:1]([C:2]([C:3](=[O:4])[C:5]#[N:6])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:4][C:3](=[C:2]([H:10])[H:11])[C:5]#[N:6])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-2-4(6)3-5/h2H2,1H3","InChI=1S/C4H5NO/c1-4(3-5)6-2/h1H2,2H3",80.74223,17.19967,ketoenol
3492,[C:1]([C:2]([C:3](=[O:4])[C:5]#[N:6])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C@:2]([C:3](=[O:4])[H:11])([C:5]#[N:6])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-2-4(6)3-5/h2H2,1H3","InChI=1S/C4H5NO/c1-4(2-5)3-6/h3-4H,1H3/t4-/m0/s1",73.48333000000001,1.71817,
3493,[C:1]([C:2]([C:3](=[O:4])[C:5]#[N:6])([H:10])[H:11])([H:7])([H:8])[H:9],[C-:3]#[O+:4].[C:1]([C:2]([C:5]#[N:6])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-2-4(6)3-5/h2H2,1H3","InChI=1S/C3H5N.CO/c1-2-3-4;1-2/h2H2,1H3;",70.33,-2.51526,
3494,[C:1]([C:2]([C:3](=[O:4])[C:5]#[N:6])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:3]([C:2]([C:5]#[N:6])([H:10])[H:11])=[O:4])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-2-4(6)3-5/h2H2,1H3","InChI=1S/C4H5NO/c1-4(6)2-3-5/h2H2,1H3",98.59517,-3.8233300000000003,
3495,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])[H:7],[O:1]=[C:2]([C@@:5]([C:4]([C:3]([H:7])([H:9])[H:10])([H:11])[H:12])([O:6][H:14])[H:13])[H:8],"InChI=1S/C4H8O2/c5-3-1-2-4(3)6/h3-6H,1-2H2/t3-,4+","InChI=1S/C4H8O2/c1-2-4(6)3-5/h3-4,6H,2H2,1H3/t4-/m1/s1",64.75796,-14.66549,
3496,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])[H:7],[O:1]([C:2]([C@@:5]([C:4]([C:3][H:9])([H:11])[H:12])([O:6][H:14])[H:13])([H:8])[H:10])[H:7],"InChI=1S/C4H8O2/c5-3-1-2-4(3)6/h3-6H,1-2H2/t3-,4+","InChI=1S/C4H8O2/c1-2-4(6)3-5/h1,4-6H,2-3H2/t4-/m1/s1",77.7993,83.85455999999999,
3497,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])[H:7],[C:2]1([H:8])([H:13])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]1=[O:6].[O:1]([H:7])[H:14],"InChI=1S/C4H8O2/c5-3-1-2-4(3)6/h3-6H,1-2H2/t3-,4+",InChI=1S/C4H6O.H2O/c5-4-2-1-3-4;/h1-3H2;1H2,53.85179,-2.70763,
3498,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])[H:7],[O:1]([C:2][C:3]([C:4]([C:5]([O:6][H:14])([H:8])[H:13])([H:11])[H:12])([H:9])[H:10])[H:7],"InChI=1S/C4H8O2/c5-3-1-2-4(3)6/h3-6H,1-2H2/t3-,4+","InChI=1S/C4H8O2/c5-3-1-2-4-6/h5-6H,1-3H2",58.01965,45.78396,
3499,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])[H:7],[O:1]([C@@:2]([C:3]([C:4]([H:11])([H:12])[H:13])([H:9])[H:10])([C:5][O:6][H:14])[H:8])[H:7],"InChI=1S/C4H8O2/c5-3-1-2-4(3)6/h3-6H,1-2H2/t3-,4+","InChI=1S/C4H8O2/c1-2-4(6)3-5/h4-6H,2H2,1H3/t4-/m0/s1",54.38621,36.77442,
3500,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])[H:7],[C:3](=[C:4]([H:11])[H:12])([H:9])[H:10].[O:1](/[C:2](=[C:5](\[O:6][H:14])[H:13])[H:8])[H:7],"InChI=1S/C4H8O2/c5-3-1-2-4(3)6/h3-6H,1-2H2/t3-,4+",InChI=1S/C2H4O2.C2H4/c3-1-2-4;1-2/h1-4H;1-2H2/b2-1-;,76.78792,15.79995,
3501,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])[H:7],[C:2]1([H:8])=[C:3]([H:9])[C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13].[O:1]([H:7])[H:10],"InChI=1S/C4H8O2/c5-3-1-2-4(3)6/h3-6H,1-2H2/t3-,4+","InChI=1S/C4H6O.H2O/c5-4-2-1-3-4;/h1-2,4-5H,3H2;1H2/t4-;/m0./s1",60.38936999999999,18.48094,"1,3_Insertion_ROR"
3502,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])[H:7],[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@:5]1([C:4]([O:6][H:14])([H:11])[H:12])[H:13])[H:7],"InChI=1S/C4H8O2/c5-3-1-2-4(3)6/h3-6H,1-2H2/t3-,4+","InChI=1S/C4H8O2/c5-2-3-1-4(3)6/h3-6H,1-2H2/t3-,4-/m0/s1",78.25815,5.23381,
3503,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])[H:7],[C:3]1([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]1([O:6][H:14])[H:13].[O:1]([C:2][H:8])[H:7],"InChI=1S/C4H8O2/c5-3-1-2-4(3)6/h3-6H,1-2H2/t3-,4+","InChI=1S/C3H6O.CH2O/c4-3-1-2-3;1-2/h3-4H,1-2H2;1-2H",89.67038000000001,83.69409,
3504,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])[H:7],[O:1]([C@@:2]([C:3][H:9])([C@@:5]([C:4]([H:10])([H:11])[H:12])([O:6][H:14])[H:13])[H:8])[H:7],"InChI=1S/C4H8O2/c5-3-1-2-4(3)6/h3-6H,1-2H2/t3-,4+","InChI=1S/C4H8O2/c1-3(5)4(2)6/h1,3-6H,2H3/t3-,4+/m0/s1",70.55343,71.55123,
3505,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])[H:7],[C:2]1([C:5](=[O:6])[H:13])([H:8])[C:3]([H:9])([H:10])[C:4]1([H:11])[H:12].[O:1]([H:7])[H:14],"InChI=1S/C4H8O2/c5-3-1-2-4(3)6/h3-6H,1-2H2/t3-,4+","InChI=1S/C4H6O.H2O/c5-3-4-1-2-4;/h3-4H,1-2H2;1H2",55.029869999999995,2.99804,
3506,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])[H:7],[C:4](=[C:5]([O:6][H:14])[H:13])([H:11])[H:12].[O:1]([C:2](=[C:3]([H:9])[H:10])[H:8])[H:7],"InChI=1S/C4H8O2/c5-3-1-2-4(3)6/h3-6H,1-2H2/t3-,4+","InChI=1S/2C2H4O/c2*1-2-3/h2*2-3H,1H2",78.05644000000001,9.59966,
3507,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])[H:7],[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:12])([H:14])[O:6][C:5]1([H:11])[H:13])[H:7],"InChI=1S/C4H8O2/c5-3-1-2-4(3)6/h3-6H,1-2H2/t3-,4+","InChI=1S/C4H8O2/c5-4-1-2-6-3-4/h4-5H,1-3H2/t4-/m0/s1",88.58776,-6.98982,
3508,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])[H:7],[H:12][H:14].[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:13])[C:5]1=[O:6])[H:7],"InChI=1S/C4H8O2/c5-3-1-2-4(3)6/h3-6H,1-2H2/t3-,4+","InChI=1S/C4H6O2.H2/c5-3-1-2-4(3)6;/h3,5H,1-2H2;1H/t3-;/m0./s1",82.90198000000001,17.52865,
3509,[C:1]([C:2]([C:3]1([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])([H:16])[C:6]1([H:17])[H:18])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C@@:3]1([H:12])[C:4]([H:13])([H:14])[C:5]([H:16])=[C:6]1[H:17])([H:10])[H:11])([H:7])([H:8])[H:9].[H:15][H:18],"InChI=1S/C6H12/c1-2-6-4-3-5-6/h6H,2-5H2,1H3","InChI=1S/C6H10.H2/c1-2-6-4-3-5-6;/h3-4,6H,2,5H2,1H3;1H/t6-;/m1./s1",112.33893,33.45102,
3510,[C:1]([C:2]([C:3]1([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])([H:16])[C:6]1([H:17])[H:18])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([C:4]([C:5]([C:6][H:18])([H:15])[H:16])([H:13])[H:14])([H:12])[H:17])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C6H12/c1-2-6-4-3-5-6/h6H,2-5H2,1H3","InChI=1S/C6H12/c1-3-5-6-4-2/h1H,3-6H2,2H3",77.49082,81.65413000000001,
3511,[C:1]([C:2]([C:3]1([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])([H:16])[C:6]1([H:17])[H:18])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([C:4][H:14])([C:6]([C:5]([H:13])([H:15])[H:16])([H:17])[H:18])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C6H12/c1-2-6-4-3-5-6/h6H,2-5H2,1H3","InChI=1S/C6H12/c1-4-6(3)5-2/h3,6H,4-5H2,1-2H3",79.23799,76.29817,
3512,[C:1]([C:2]([C:3]1([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])([H:16])[C:6]1([H:17])[H:18])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3](=[C:4]([H:13])[H:14])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9].[C:5](=[C:6]([H:17])[H:18])([H:15])[H:16],"InChI=1S/C6H12/c1-2-6-4-3-5-6/h6H,2-5H2,1H3","InChI=1S/C4H8.C2H4/c1-3-4-2;1-2/h3H,1,4H2,2H3;1-2H2",86.81402,18.28772,
3513,[C:1]([C:2]([C:3]1([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])([H:16])[C:6]1([H:17])[H:18])([H:10])[H:11])([H:7])([H:8])[H:9],[C-:1]([C:2]([C:3]([C:4]([C+:5]([H:15])[H:16])([H:13])[H:14])([C:6]([H:9])([H:17])[H:18])[H:12])([H:10])[H:11])([H:7])[H:8],"InChI=1S/C6H12/c1-2-6-4-3-5-6/h6H,2-5H2,1H3","InChI=1S/C6H12/c1-4-6(3)5-2/h6H,1-2,4-5H2,3H3",79.0015,75.80936,
3514,[C:1]([C:2]([C:3]1([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])([H:16])[C:6]1([H:17])[H:18])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:6]([C:3]1([H:12])[C:4]([H:13])([H:14])[C:5]1([H:15])[H:16])([H:17])[H:18])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C6H12/c1-2-6-4-3-5-6/h6H,2-5H2,1H3","InChI=1S/C6H12/c1-2-3-6-4-5-6/h6H,2-5H2,1H3",98.64599,1.6356700000000002,
3515,[C:1]([C:2]([C:3]1([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])([H:16])[C:6]1([H:17])[H:18])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](/[C:2](=[C:3](/[C:4]([H:10])([H:13])[H:14])[H:12])[H:11])([H:7])([H:8])[H:9].[C:5](=[C:6]([H:17])[H:18])([H:15])[H:16],"InChI=1S/C6H12/c1-2-6-4-3-5-6/h6H,2-5H2,1H3","InChI=1S/C4H8.C2H4/c1-3-4-2;1-2/h3-4H,1-2H3;1-2H2/b4-3+;",92.93517,14.902079999999998,
3516,[C:1]([C:2]([C:3]1([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])([H:16])[C:6]1([H:17])[H:18])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3][C:4]([C:5]([C:6]([H:12])([H:17])[H:18])([H:15])[H:16])([H:13])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C6H12/c1-2-6-4-3-5-6/h6H,2-5H2,1H3","InChI=1S/C6H12/c1-3-5-6-4-2/h3-5H2,1-2H3",71.59528,68.77514000000001,
3517,[C:1]([C:2]([C:3]1([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])([H:16])[C:6]1([H:17])[H:18])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C@@:3]([C:4]([C:5][H:15])([H:13])[H:14])([C:6]([H:16])([H:17])[H:18])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C6H12/c1-2-6-4-3-5-6/h6H,2-5H2,1H3","InChI=1S/C6H12/c1-4-6(3)5-2/h1,6H,4-5H2,2-3H3/t6-/m1/s1",78.06953,81.08057,
3518,[C@:1]12([H:7])[C@:2]3([H:8])[C@@:3]1([H:9])[N:4]1[C@@:5]2([H:10])[C@:6]31[H:11],[C@:1]12([H:7])[C@@:2]([C:3][H:9])([H:8])[C@:6]3([H:11])[N:4]1[C@:5]23[H:10],"InChI=1S/C5H5N/c1-2-3(1)6-4(1)5(2)6/h1-5H/t1-,2+,3-,4+,5-,6?","InChI=1S/C5H5N/c1-2-3-5-4(2)6(3)5/h1-5H/t2-,3+,4-,5+,6?",76.59663,56.733990000000006,
3519,[C@:1]12([H:7])[C@:2]3([H:8])[C@@:3]1([H:9])[N:4]1[C@@:5]2([H:10])[C@:6]31[H:11],[C:1]1([C@@:5]2([H:10])[N:4]=[C:6]2[H:11])([H:7])[C:2]([H:8])=[C:3]1[H:9],"InChI=1S/C5H5N/c1-2-3(1)6-4(1)5(2)6/h1-5H/t1-,2+,3-,4+,5-,6?",InChI=1S/C5H5N/c1-2-4(1)5-3-6-5/h1-5H/t5-/m0/s1,64.81144,-17.79723,
3520,[C@:1]12([H:7])[C@:2]3([H:8])[C@@:3]1([H:9])[N:4]1[C@@:5]2([H:10])[C@:6]31[H:11],[C:1]1([H:7])=[C:5]([H:10])[C@:6]2([H:11])[C@:2]3([H:8])[C@@:3]1([H:9])[N:4]32,"InChI=1S/C5H5N/c1-2-3(1)6-4(1)5(2)6/h1-5H/t1-,2+,3-,4+,5-,6?","InChI=1S/C5H5N/c1-2-4-5-3(1)6(4)5/h1-5H/t3-,4+,5-,6?",30.86399,-46.4189,
3521,[C@:1]12([H:7])[C@:2]3([H:8])[C@@:3]1([H:9])[N:4]1[C@@:5]2([H:10])[C@:6]31[H:11],[C@:1]12([H:7])[C:2][C@:6]3([H:11])[N:4]([C:3]1([H:8])[H:9])[C@:5]23[H:10],"InChI=1S/C5H5N/c1-2-3(1)6-4(1)5(2)6/h1-5H/t1-,2+,3-,4+,5-,6?","InChI=1S/C5H5N/c1-3-2-6-4(1)5(3)6/h3-5H,2H2/t3-,4-,5+,6?/m0/s1",53.11577,13.124170000000001,
3522,[C@:1]12([H:7])[C@:2]3([H:8])[C@@:3]1([H:9])[N:4]1[C@@:5]2([H:10])[C@:6]31[H:11],[C@:1]12([H:7])[C@:2]3([H:8])[C@@:3]1([H:9])[N:4]([H:11])[C@@:5]2([H:10])[C:6]3,"InChI=1S/C5H5N/c1-2-3(1)6-4(1)5(2)6/h1-5H/t1-,2+,3-,4+,5-,6?","InChI=1S/C5H5N/c1-2-4-3(1)6-5(2)4/h2-6H/t2-,3+,4-,5-/m1/s1",48.34841,8.027330000000001,
3523,[C@:1]12([H:7])[C@:2]3([H:8])[C@@:3]1([H:9])[N:4]1[C@@:5]2([H:10])[C@:6]31[H:11],[c:1]1([H:7])[c:3]([H:9])[c:2]([H:8])[c:6]([H:11])[n:4][c:5]1[H:10],"InChI=1S/C5H5N/c1-2-3(1)6-4(1)5(2)6/h1-5H/t1-,2+,3-,4+,5-,6?",InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H,36.21161,-124.66703000000001,
3524,[C@:1]12([H:7])[C@:2]3([H:8])[C@@:3]1([H:9])[N:4]1[C@@:5]2([H:10])[C@:6]31[H:11],[C@:1]12([H:7])[C:2]([H:8])=[C:6]([H:11])[N:4]3[C@@:3]1([H:9])[C@:5]23[H:10],"InChI=1S/C5H5N/c1-2-3(1)6-4(1)5(2)6/h1-5H/t1-,2+,3-,4+,5-,6?","InChI=1S/C5H5N/c1-2-6-4-3(1)5(4)6/h1-5H/t3-,4+,5-,6?",41.98836,-32.30715,
3525,[C:1]([C@@:2]([O:3][H:11])([C:4]([C:5](=[O:6])[H:14])([H:12])[H:13])[H:10])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[O:3][C@@:5]([O:6][H:11])([H:14])[C:4]1([H:12])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-4(6)2-3-5/h3-4,6H,2H2,1H3/t4-/m1/s1","InChI=1S/C4H8O2/c1-3-2-4(5)6-3/h3-5H,2H2,1H3/t3-,4+/m1/s1",42.9479,9.60502,
3526,[C:1]([C@@:2]([O:3][H:11])([C:4]([C:5](=[O:6])[H:14])([H:12])[H:13])[H:10])([H:7])([H:8])[H:9],[C:1]([C@@:2]([O:3][H:11])(/[C:4](=[C:5](/[O:6][H:12])[H:14])[H:13])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-4(6)2-3-5/h3-4,6H,2H2,1H3/t4-/m1/s1","InChI=1S/C4H8O2/c1-4(6)2-3-5/h2-6H,1H3/b3-2+/t4-/m1/s1",63.1598,5.51422,ketoenol
3527,[C:1]([C@@:2]([O:3][H:11])([C:4]([C:5](=[O:6])[H:14])([H:12])[H:13])[H:10])([H:7])([H:8])[H:9],[C:1]([C@@:2]([O:3][H:11])([C:4]([O+:6]=[C-:5][H:14])([H:12])[H:13])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-4(6)2-3-5/h3-4,6H,2H2,1H3/t4-/m1/s1","InChI=1S/C4H8O2/c1-4(5)3-6-2/h2,4-5H,3H2,1H3/t4-/m1/s1",111.41033,61.64289,
3528,[C:1]([C@@:2]([O:3][H:11])([C:4]([C:5](=[O:6])[H:14])([H:12])[H:13])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2]([O:3][H:11])=[C:4]([H:12])[H:13])([H:7])([H:8])[H:9].[C:5](=[O:6])([H:10])[H:14],"InChI=1S/C4H8O2/c1-4(6)2-3-5/h3-4,6H,2H2,1H3/t4-/m1/s1","InChI=1S/C3H6O.CH2O/c1-3(2)4;1-2/h4H,1H2,2H3;1H2",51.25176,21.21702,
3529,[C:1]([C@@:2]([O:3][H:11])([C:4]([C:5](=[O:6])[H:14])([H:12])[H:13])[H:10])([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:10].[C:2]([O:3][H:11])[C:4]([C:5](=[O:6])[H:14])([H:12])[H:13],"InChI=1S/C4H8O2/c1-4(6)2-3-5/h3-4,6H,2H2,1H3/t4-/m1/s1","InChI=1S/C3H4O2.CH4/c4-2-1-3-5;/h2,5H,1H2;1H4",72.90486,63.16086,
3530,[C:1]([C@@:2]([O:3][H:11])([C:4]([C:5](=[O:6])[H:14])([H:12])[H:13])[H:10])([H:7])([H:8])[H:9],[C:1]([C:4]([C:2](=[O:3])[H:10])([H:12])[H:13])([H:7])([H:8])[H:9].[C:5](=[O:6])([H:11])[H:14],"InChI=1S/C4H8O2/c1-4(6)2-3-5/h3-4,6H,2H2,1H3/t4-/m1/s1","InChI=1S/C3H6O.CH2O/c1-2-3-4;1-2/h3H,2H2,1H3;1H2",83.39829,18.11621,
3531,[C:1]([C@@:2]([O:3][H:11])([C:4]([C:5](=[O:6])[H:14])([H:12])[H:13])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2](=[O:3])[H:10])([H:7])([H:8])[H:9].[C:4](=[C:5]([O:6][H:11])[H:14])([H:12])[H:13],"InChI=1S/C4H8O2/c1-4(6)2-3-5/h3-4,6H,2H2,1H3/t4-/m1/s1","InChI=1S/2C2H4O/c2*1-2-3/h2H,1H3;2-3H,1H2",19.56788,15.43934,Retroene
3532,[C:1]([C@@:2]([O:3][H:11])([C:4]([C:5](=[O:6])[H:14])([H:12])[H:13])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2](=[O:3])[H:10])([H:7])([H:8])[H:9].[C:4](=[C:5]=[O:6])([H:12])[H:13].[H:11][H:14],"InChI=1S/C4H8O2/c1-4(6)2-3-5/h3-4,6H,2H2,1H3/t4-/m1/s1","InChI=1S/C2H4O.C2H2O.H2/c2*1-2-3;/h2H,1H3;1H2;1H",53.93845,34.22053,
3533,[C:1]([C@@:2]([O:3][H:11])([C:4]([C:5](=[O:6])[H:14])([H:12])[H:13])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2](=[O:3])[H:10])([C:4]([C:5](=[O:6])[H:14])([H:12])[H:13])([H:8])[H:9].[H:7][H:11],"InChI=1S/C4H8O2/c1-4(6)2-3-5/h3-4,6H,2H2,1H3/t4-/m1/s1","InChI=1S/C4H6O2.H2/c5-3-1-2-4-6;/h3-4H,1-2H2;1H",85.2866,20.61605,
3534,[C:1]([C@@:2]([O:3][H:11])([C:4]([C:5](=[O:6])[H:14])([H:12])[H:13])[H:10])([H:7])([H:8])[H:9],[C:1]([O:3][H:11])([H:7])([H:8])[H:9].[C:2]([C:4]([C:5](=[O:6])[H:14])([H:12])[H:13])[H:10],"InChI=1S/C4H8O2/c1-4(6)2-3-5/h3-4,6H,2H2,1H3/t4-/m1/s1","InChI=1S/C3H4O.CH4O/c1-2-3-4;1-2/h1,3H,2H2;2H,1H3",99.1675,109.67062,
3535,[C:1]([C@@:2]([O:3][H:11])([C:4]([C:5](=[O:6])[H:14])([H:12])[H:13])[H:10])([H:7])([H:8])[H:9],[C:1]([C@@:2]([O:3][H:11])([O:6][C:5](=[C:4]([H:12])[H:13])[H:14])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-4(6)2-3-5/h3-4,6H,2H2,1H3/t4-/m1/s1","InChI=1S/C4H8O2/c1-3-6-4(2)5/h3-5H,1H2,2H3/t4-/m0/s1",62.3527,10.59859,ketoenol
3536,[C:1]([C@@:2]([O:3][H:11])([C:4]([C:5](=[O:6])[H:14])([H:12])[H:13])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2]([O:3][H:11])([H:10])[H:12])([H:7])([H:8])[H:9].[C:4](=[C:5]=[O:6])([H:13])[H:14],"InChI=1S/C4H8O2/c1-4(6)2-3-5/h3-4,6H,2H2,1H3/t4-/m1/s1","InChI=1S/C2H6O.C2H2O/c2*1-2-3/h3H,2H2,1H3;1H2",72.17351,16.76565,
3537,[C:1]([C@@:2]([O:3][H:11])([C:4]([C:5](=[O:6])[H:14])([H:12])[H:13])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:4]([H:12])[H:13])[H:10])([H:7])([H:8])[H:9].[O:3]([C:5](=[O:6])[H:14])[H:11],"InChI=1S/C4H8O2/c1-4(6)2-3-5/h3-4,6H,2H2,1H3/t4-/m1/s1","InChI=1S/C3H6.CH2O2/c1-3-2;2-1-3/h3H,1H2,2H3;1H,(H,2,3)",45.427659999999996,-1.01948,
3538,[C:1]([C@@:2]([O:3][H:11])([C:4]([C:5](=[O:6])[H:14])([H:12])[H:13])[H:10])([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:11].[C:2](=[O:3])([C:4]([C:5](=[O:6])[H:14])([H:12])[H:13])[H:10],"InChI=1S/C4H8O2/c1-4(6)2-3-5/h3-4,6H,2H2,1H3/t4-/m1/s1","InChI=1S/C3H4O2.CH4/c4-2-1-3-5;/h2-3H,1H2;1H4",77.64386999999999,8.72524,
3539,[C:1]([C@@:2]([O:3][H:11])([C:4]([C:5](=[O:6])[H:14])([H:12])[H:13])[H:10])([H:7])([H:8])[H:9],[C:1](/[C:2](=[C:4](\[C:5](=[O:6])[H:14])[H:13])[H:10])([H:7])([H:8])[H:9].[O:3]([H:11])[H:12],"InChI=1S/C4H8O2/c1-4(6)2-3-5/h3-4,6H,2H2,1H3/t4-/m1/s1","InChI=1S/C4H6O.H2O/c1-2-3-4-5;/h2-4H,1H3;1H2/b3-2-;",46.832159999999995,7.78914,"1,3_Insertion_ROR"
3540,[C:1]([C@@:2]([O:3][H:11])([C:4]([C:5](=[O:6])[H:14])([H:12])[H:13])[H:10])([H:7])([H:8])[H:9],[C:1](=[C:2]([C:4]([C:5](=[O:6])[H:14])([H:12])[H:13])[H:10])([H:8])[H:9].[O:3]([H:7])[H:11],"InChI=1S/C4H8O2/c1-4(6)2-3-5/h3-4,6H,2H2,1H3/t4-/m1/s1","InChI=1S/C4H6O.H2O/c1-2-3-4-5;/h2,4H,1,3H2;1H2",57.939769999999996,13.79755,"1,3_Insertion_ROR"
3541,[C:1]([C@@:2]([O:3][H:11])([C:4]([C:5](=[O:6])[H:14])([H:12])[H:13])[H:10])([H:7])([H:8])[H:9],[C:1]([C@:2]1([H:10])[C:4]([H:12])([H:13])[C@:5]1([O:6][O:3][H:11])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-4(6)2-3-5/h3-4,6H,2H2,1H3/t4-/m1/s1","InChI=1S/C4H8O2/c1-3-2-4(3)6-5/h3-5H,2H2,1H3/t3-,4-/m1/s1",92.30509,72.56341,
3542,[C:1]([C@@:2]([O:3][H:11])([C:4]([C:5](=[O:6])[H:14])([H:12])[H:13])[H:10])([H:7])([H:8])[H:9],[C:1]([C@@:2]([O:3][H:11])([C:4](=[C:5]=[O:6])[H:13])[H:10])([H:7])([H:8])[H:9].[H:12][H:14],"InChI=1S/C4H8O2/c1-4(6)2-3-5/h3-4,6H,2H2,1H3/t4-/m1/s1","InChI=1S/C4H6O2.H2/c1-4(6)2-3-5;/h2,4,6H,1H3;1H/t4-;/m1./s1",74.32386,26.184279999999998,
3543,[C:1]([C@@:2]([O:3][H:11])([C:4]([C:5](=[O:6])[H:14])([H:12])[H:13])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2](=[O:3])[C:4]([C:5](=[O:6])[H:14])([H:12])[H:13])([H:7])([H:8])[H:9].[H:10][H:11],"InChI=1S/C4H8O2/c1-4(6)2-3-5/h3-4,6H,2H2,1H3/t4-/m1/s1","InChI=1S/C4H6O2.H2/c1-4(6)2-3-5;/h3H,2H2,1H3;1H",75.90698,13.83298,
3544,[C:1]([O:2][C:3](=[O:4])[C:5]#[N:6])([H:7])([H:8])[H:9],[C:1]([O:2][C:3](=[O:4])[N+:6]#[C-:5])([H:7])([H:8])[H:9],InChI=1S/C3H3NO2/c1-6-3(5)2-4/h1H3,InChI=1S/C3H3NO2/c1-4-3(5)6-2/h2H3,48.94086,23.21537,
3545,[C:1]([O:2][C:3](=[O:4])[C:5]#[N:6])([H:7])([H:8])[H:9],[C:1]([N+:6]#[C-:5])([H:7])([H:8])[H:9].[O:2]=[C:3]=[O:4],InChI=1S/C3H3NO2/c1-6-3(5)2-4/h1H3,InChI=1S/C2H3N.CO2/c1-3-2;2-1-3/h1H3;,69.80865,-1.22554,
3546,[C:1]([O:2][C:3](=[O:4])[C:5]#[N:6])([H:7])([H:8])[H:9],[C:1]([O:2][N:6]=[C:5]=[C:3]=[O:4])([H:7])([H:8])[H:9],InChI=1S/C3H3NO2/c1-6-3(5)2-4/h1H3,InChI=1S/C3H3NO2/c1-6-4-2-3-5/h1H3,85.7521,69.38614,
3547,[C:1]([O:2][C:3](=[O:4])[C:5]#[N:6])([H:7])([H:8])[H:9],[C:1]([O+:2]=[C-:3][O:4][C:5]#[N:6])([H:7])([H:8])[H:9],InChI=1S/C3H3NO2/c1-6-3(5)2-4/h1H3,InChI=1S/C3H3NO2/c1-5-3-6-2-4/h1H3,85.06829,63.73104,
3548,[C:1]([O:2][C:3](=[O:4])[C:5]#[N:6])([H:7])([H:8])[H:9],[C:1]([C:5]#[N:6])([H:7])([H:8])[H:9].[O:2]=[C:3]=[O:4],InChI=1S/C3H3NO2/c1-6-3(5)2-4/h1H3,InChI=1S/C2H3N.CO2/c1-2-3;2-1-3/h1H3;,69.83366,-29.39743,
3549,[C:1]([O:2][C:3](=[O:4])[C:5]#[N:6])([H:7])([H:8])[H:9],[C-:3]#[O+:4].[C:1](=[O:2])([H:8])[H:9].[C:5](#[N:6])[H:7],InChI=1S/C3H3NO2/c1-6-3(5)2-4/h1H3,InChI=1S/CHN.CH2O.CO/c3*1-2/h1H;1H2;,60.836130000000004,28.18845,
3550,[C:1]([O:2][C:3](=[O:4])[C:5]#[N:6])([H:7])([H:8])[H:9],[C-:3]#[O+:4].[C:1]([O:2][C:5]#[N:6])([H:7])([H:8])[H:9],InChI=1S/C3H3NO2/c1-6-3(5)2-4/h1H3,InChI=1S/C2H3NO.CO/c1-4-2-3;1-2/h1H3;,66.16502,20.71849,
3551,[C:1]([O:2][C:3](=[O:4])[C:5]#[N:6])([H:7])([H:8])[H:9],[C:1]([O:2][C:5]([C:3]#[O+:4])=[N-:6])([H:7])([H:8])[H:9],InChI=1S/C3H3NO2/c1-6-3(5)2-4/h1H3,InChI=1S/C3H3NO2/c1-6-3(4)2-5/h1H3,66.13537,35.2683,
3552,[C:1]([O:2][C:3](=[O:4])[C:5]#[N:6])([H:7])([H:8])[H:9],[C:1]([O+:2]=[C-:3][O:4][N+:6]#[C-:5])([H:7])([H:8])[H:9],InChI=1S/C3H3NO2/c1-6-3(5)2-4/h1H3,InChI=1S/C3H3NO2/c1-4-6-3-5-2/h2H3,129.03051000000002,124.26981,
3553,[C:1]([O:2][C:3](=[O:4])[C:5]#[N:6])([H:7])([H:8])[H:9],[C:1]1([H:8])([H:9])[O:2][C:3]([O-:4])=[C+:5][N:6]1[H:7],InChI=1S/C3H3NO2/c1-6-3(5)2-4/h1H3,"InChI=1S/C3H3NO2/c5-3-1-4-2-6-3/h4H,2H2",72.3214,33.70864,
3554,[O:1]=[C:2]([C:3]#[C:4][C:5]#[C:6][H:8])[H:7],[O:1]([C:2](=[C:3])[H:7])[C:4]1=[C:5]=[C:6]1[H:8],"InChI=1S/C5H2O/c1-2-3-4-5-6/h1,5H",InChI=1S/C5H2O/c1-2-6-5-3-4-5/h2-3H,135.88343,118.03211999999999,
3555,[O:1]=[C:2]([C:3]#[C:4][C:5]#[C:6][H:8])[H:7],[O:1]=[C:2]([C:4](=[C:3])[C:5]#[C:6][H:8])[H:7],"InChI=1S/C5H2O/c1-2-3-4-5-6/h1,5H","InChI=1S/C5H2O/c1-3-5(2)4-6/h1,4H",56.21188000000001,58.63377,
3556,[O:1]=[C:2]([C:3]#[C:4][C:5]#[C:6][H:8])[H:7],[O:1]=[C:4]([C:3]#[C:2][H:7])[C:5]#[C:6][H:8],"InChI=1S/C5H2O/c1-2-3-4-5-6/h1,5H",InChI=1S/C5H2O/c1-3-5(6)4-2/h1-2H,79.09692,8.87317,
3557,[O:1]=[C:2]([C:3]#[C:4][C:5]#[C:6][H:8])[H:7],[O:1]=[C:2]([C:6](=[C+:5][C:4]#[C-:3])[H:8])[H:7],"InChI=1S/C5H2O/c1-2-3-4-5-6/h1,5H",InChI=1S/C5H2O/c1-2-3-4-5-6/h4-5H,78.53159000000001,40.747679999999995,
3558,[O:1]=[C:2]([C:3]#[C:4][C:5]#[C:6][H:8])[H:7],[O:1]=[C:2]([C:3]1=[C+:4][C:5]1=[C-:6][H:8])[H:7],"InChI=1S/C5H2O/c1-2-3-4-5-6/h1,5H","InChI=1S/C5H2O/c1-4-2-5(4)3-6/h1,3H",50.71529,56.92865,
3559,[O:1]=[C:2]([C:3]#[C:4][C:5]#[C:6][H:8])[H:7],[O:1]=[C:2]([C:3]12[C:4]3=[C:5]1[C:6]23[H:8])[H:7],"InChI=1S/C5H2O/c1-2-3-4-5-6/h1,5H",InChI=1S/C5H2O/c6-1-5-2-3(5)4(2)5/h1-2H,85.46964,71.36740999999999,
3560,[O:1]=[C:2]([C:3]#[C:4][C:5]#[C:6][H:8])[H:7],[O:1]=[C:2]([C:6](=[C:5]1[C:3]#[C:4]1)[H:8])[H:7],"InChI=1S/C5H2O/c1-2-3-4-5-6/h1,5H",InChI=1S/C5H2O/c6-4-3-5-1-2-5/h3-4H,90.29069,55.090090000000004,
3561,[O:1]=[C:2]([C:3]#[C:4][C:5]#[C:6][H:8])[H:7],[O:1]1[C:2]([H:7])=[C:3]=[C:4]=[C:5]=[C:6]1[H:8],"InChI=1S/C5H2O/c1-2-3-4-5-6/h1,5H",InChI=1S/C5H2O/c1-2-4-6-5-3-1/h4-5H,55.871219999999994,41.82969,
3562,[O:1]=[C:2]([C:3]#[C:4][C:5]#[C:6][H:8])[H:7],[O:1]=[C:2]=[C:3]=[C:4]([C:5]#[C:6][H:8])[H:7],"InChI=1S/C5H2O/c1-2-3-4-5-6/h1,5H","InChI=1S/C5H2O/c1-2-3-4-5-6/h1,3H",77.88591,-3.5425199999999997,
3563,[O:1]=[C:2]([C:3]#[C:4][C:5]#[C:6][H:8])[H:7],[O:1]=[C:2]=[C:3]=[C:4]=[C:5]=[C:6]([H:7])[H:8],"InChI=1S/C5H2O/c1-2-3-4-5-6/h1,5H",InChI=1S/C5H2O/c1-2-3-4-5-6/h1H2,56.99814,-12.71213,Intra_ene_reaction
3564,[O:1]=[C:2]([C:3]#[C:4][C:5]#[C:6][H:8])[H:7],[O-:1][C:2](=[C+:3][C:4]1=[C:5]=[C:6]1[H:8])[H:7],"InChI=1S/C5H2O/c1-2-3-4-5-6/h1,5H","InChI=1S/C5H2O/c6-4-3-5-1-2-5/h1,4H",51.77877,50.36238,
3565,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[C@:4]1([H:12])[C:5]([H:13])=[C:6]2[H:14],[C:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])=[C:5]=[C:6]1[H:14])([H:7])([H:8])[H:13],"InChI=1S/C6H8/c1-2-6-3-5(1)4-6/h1-2,5-6H,3-4H2/t5-,6+","InChI=1S/C6H8/c1-6-4-2-3-5-6/h2,5-6H,4H2,1H3/t6-/m0/s1",109.01056000000001,31.87997,
3566,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[C@:4]1([H:12])[C:5]([H:13])=[C:6]2[H:14],[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[C@:4]1([H:12])[C:5][C:6]2([H:13])[H:14],"InChI=1S/C6H8/c1-2-6-3-5(1)4-6/h1-2,5-6H,3-4H2/t5-,6+","InChI=1S/C6H8/c1-2-6-3-5(1)4-6/h5-6H,1,3-4H2/t5-,6+",64.60598,58.77992,Singlet_Carbene_Intra_Disproportionation
3567,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[C@:4]1([H:12])[C:5]([H:13])=[C:6]2[H:14],[C:1]1([H:7])([H:8])[C@:4]2([H:12])[C:3]([H:10])([H:11])[C:2]([H:9])=[C:6]([H:14])[C@:5]12[H:13],"InChI=1S/C6H8/c1-2-6-3-5(1)4-6/h1-2,5-6H,3-4H2/t5-,6+","InChI=1S/C6H8/c1-2-5-4-6(5)3-1/h1-2,5-6H,3-4H2/t5-,6+/m1/s1",32.467909999999996,-20.87141,
3568,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[C@:4]1([H:12])[C:5]([H:13])=[C:6]2[H:14],[C:1]1([H:7])([H:8])[C@:2]([C:3]([H:10])([H:11])[H:12])([H:9])[C+:6]([H:14])[C:5]([H:13])=[C-:4]1,"InChI=1S/C6H8/c1-2-6-3-5(1)4-6/h1-2,5-6H,3-4H2/t5-,6+","InChI=1S/C6H8/c1-6-4-2-3-5-6/h2,4,6H,5H2,1H3/t6-/m0/s1",63.9413,34.89176,
3569,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[C@:4]1([H:12])[C:5]([H:13])=[C:6]2[H:14],[C:1]1([H:7])([H:8])[C:2]([C:6](=[C:5]([H:12])[H:13])[H:14])([H:9])[C:3]([H:10])([H:11])[C:4]1,"InChI=1S/C6H8/c1-2-6-3-5(1)4-6/h1-2,5-6H,3-4H2/t5-,6+","InChI=1S/C6H8/c1-2-6-4-3-5-6/h2,6H,1,4-5H2",70.33516,63.80976999999999,
3570,[C:1]1([H:7])([H:8])[N:2]([H:9])[C@:3]1([C@@:4]1([H:11])[C:5]([H:12])([H:13])[O:6]1)[H:10],[C-:1]1([H:7])[N:2]([H:9])[C@:3]1([C:4]1=[O+:6][C:5]1([H:12])[H:13])[H:10].[H:8][H:11],"InChI=1S/C4H7NO/c1-3(5-1)4-2-6-4/h3-5H,1-2H2/t3-,4-/m1/s1","InChI=1S/C4H5NO.H2/c1-3(5-1)4-2-6-4;/h1,3,5H,2H2;1H/t3-;/m1./s1",117.87468999999999,88.36232,
3571,[C:1]1([H:7])([H:8])[N:2]([H:9])[C@:3]1([C@@:4]1([H:11])[C:5]([H:12])([H:13])[O:6]1)[H:10],[C:1](=[N:2][C:3]([C@@:4]1([H:11])[C:5]([H:12])([H:13])[O:6]1)([H:9])[H:10])([H:7])[H:8],"InChI=1S/C4H7NO/c1-3(5-1)4-2-6-4/h3-5H,1-2H2/t3-,4-/m1/s1","InChI=1S/C4H7NO/c1-5-2-4-3-6-4/h4H,1-3H2/t4-/m0/s1",66.54881999999999,-6.84399,
3572,[C:1]1([H:7])([H:8])[N:2]([H:9])[C@:3]1([C@@:4]1([H:11])[C:5]([H:12])([H:13])[O:6]1)[H:10],[C:1]1([H:7])([H:8])[N:2]([H:9])[C:3]1=[C:4]([H:10])[H:11].[C:5](=[O:6])([H:12])[H:13],"InChI=1S/C4H7NO/c1-3(5-1)4-2-6-4/h3-5H,1-2H2/t3-,4-/m1/s1","InChI=1S/C3H5N.CH2O/c1-3-2-4-3;1-2/h4H,1-2H2;1H2",68.67231,12.43582,
3573,[C:1]1([H:7])([H:8])[N:2]([H:9])[C@:3]1([C@@:4]1([H:11])[C:5]([H:12])([H:13])[O:6]1)[H:10],[C:1](/[N:2]=[C:3](/[C@@:4]1([H:11])[C:5]([H:12])([H:13])[O:6]1)[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-3(5-1)4-2-6-4/h3-5H,1-2H2/t3-,4-/m1/s1","InChI=1S/C4H7NO/c1-5-2-4-3-6-4/h2,4H,3H2,1H3/b5-2+/t4-/m0/s1",62.09401,-10.12849,
3574,[C:1]1([H:7])([H:8])[N:2]([H:9])[C@:3]1([C@@:4]1([H:11])[C:5]([H:12])([H:13])[O:6]1)[H:10],[C:1]1([H:7])([H:8])[N:2]([H:9])/[C:3]1=[C:4]1/[C:5]([H:12])([H:13])[O:6]1.[H:10][H:11],"InChI=1S/C4H7NO/c1-3(5-1)4-2-6-4/h3-5H,1-2H2/t3-,4-/m1/s1","InChI=1S/C4H5NO.H2/c1-3(5-1)4-2-6-4;/h5H,1-2H2;1H/b4-3-;",92.51794,45.81491,
3575,[C:1]1([H:7])([H:8])[N:2]([H:9])[C@:3]1([C@@:4]1([H:11])[C:5]([H:12])([H:13])[O:6]1)[H:10],[C-:1]([N:2]([C+:3]([C@@:4]1([H:11])[C:5]([H:12])([H:13])[O:6]1)[H:10])[H:9])([H:7])[H:8],"InChI=1S/C4H7NO/c1-3(5-1)4-2-6-4/h3-5H,1-2H2/t3-,4-/m1/s1","InChI=1S/C4H7NO/c1-5-2-4-3-6-4/h2,4-5H,1,3H2/t4-/m0/s1",39.21813,18.48216,
3576,[C:1]1([H:7])([H:8])[N:2]([H:9])[C@:3]1([C@@:4]1([H:11])[C:5]([H:12])([H:13])[O:6]1)[H:10],[C:1]1([H:7])([H:8])[N:2]([H:9])[C@:3]1([C-:4]=[O+:6][C:5]([H:11])([H:12])[H:13])[H:10],"InChI=1S/C4H7NO/c1-3(5-1)4-2-6-4/h3-5H,1-2H2/t3-,4-/m1/s1","InChI=1S/C4H7NO/c1-6-3-4-2-5-4/h4-5H,2H2,1H3/t4-/m1/s1",68.68070999999999,37.65204,
3577,[C:1]1([H:7])([H:8])[N:2]([H:9])[C@:3]1([C@@:4]1([H:11])[C:5]([H:12])([H:13])[O:6]1)[H:10],[C:1]1([H:7])([H:8])[N:2]([H:9])[C@:3]1([C:4]([O+:6]=[C-:5][H:12])([H:11])[H:13])[H:10],"InChI=1S/C4H7NO/c1-3(5-1)4-2-6-4/h3-5H,1-2H2/t3-,4-/m1/s1","InChI=1S/C4H7NO/c1-6-3-4-2-5-4/h1,4-5H,2-3H2/t4-/m1/s1",75.81063,49.30663,
3578,[C:1]1([H:7])([H:8])[N:2]([H:9])[C@:3]1([C@@:4]1([H:11])[C:5]([H:12])([H:13])[O:6]1)[H:10],[C-:1]([N:2]([C:3]([C@@:4]1([H:11])[C:5]([H:12])=[O+:6]1)([H:10])[H:13])[H:9])([H:7])[H:8],"InChI=1S/C4H7NO/c1-3(5-1)4-2-6-4/h3-5H,1-2H2/t3-,4-/m1/s1","InChI=1S/C4H7NO/c1-5-2-4-3-6-4/h3-5H,1-2H2/t4-/m0/s1",91.32285999999999,65.40818,
3579,[C:1]1([H:7])([H:8])[N:2]([H:9])[C@:3]1([C@@:4]1([H:11])[C:5]([H:12])([H:13])[O:6]1)[H:10],[C-:1]1([H:8])[N:2]([H:9])[C@:3]1([C:4]([O+:6]=[C:5]([H:12])[H:13])([H:7])[H:11])[H:10],"InChI=1S/C4H7NO/c1-3(5-1)4-2-6-4/h3-5H,1-2H2/t3-,4-/m1/s1","InChI=1S/C4H7NO/c1-6-3-4-2-5-4/h2,4-5H,1,3H2/t4-/m1/s1",97.05135,76.32981,
3580,[C:1]1([H:7])([H:8])[N:2]([H:9])[C@:3]1([C@@:4]1([H:11])[C:5]([H:12])([H:13])[O:6]1)[H:10],[C:1]([N:2](/[C:3](=[C:4]1/[C:5]([H:12])([H:13])[O:6]1)[H:10])[H:9])([H:7])([H:8])[H:11],"InChI=1S/C4H7NO/c1-3(5-1)4-2-6-4/h3-5H,1-2H2/t3-,4-/m1/s1","InChI=1S/C4H7NO/c1-5-2-4-3-6-4/h2,5H,3H2,1H3/b4-2-",103.94776999999999,0.28426999999999997,
3581,[C:1]1([H:7])([H:8])[N:2]([H:9])[C@:3]1([C@@:4]1([H:11])[C:5]([H:12])([H:13])[O:6]1)[H:10],[C:1](=[N:2][H:9])([H:7])[H:8].[C:3](=[C:4]1[C:5]([H:12])([H:13])[O:6]1)([H:10])[H:11],"InChI=1S/C4H7NO/c1-3(5-1)4-2-6-4/h3-5H,1-2H2/t3-,4-/m1/s1","InChI=1S/C3H4O.CH3N/c1-3-2-4-3;1-2/h1-2H2;2H,1H2",82.3161,12.57045,
3582,[C:1]1([H:7])([H:8])[N:2]([H:9])[C@:3]1([C@@:4]1([H:11])[C:5]([H:12])([H:13])[O:6]1)[H:10],[C-:1]1([H:7])[N+:2]([H:8])([H:9])[C@:3]1([C@@:4]1([H:11])[C:5]([H:12])([H:13])[O:6]1)[H:10],"InChI=1S/C4H7NO/c1-3(5-1)4-2-6-4/h3-5H,1-2H2/t3-,4-/m1/s1","InChI=1S/C4H7NO/c1-3(5-1)4-2-6-4/h1,3-4H,2,5H2/t3-,4-/m1/s1",63.29598000000001,54.42997,
3583,[C:1]1([H:7])([H:8])[N:2]([H:9])[C@:3]1([C@@:4]1([H:11])[C:5]([H:12])([H:13])[O:6]1)[H:10],[C:1]1([H:7])([H:8])[N:2]2[C@@:3]1([H:10])[C@:4]2([C:5]([O:6][H:9])([H:12])[H:13])[H:11],"InChI=1S/C4H7NO/c1-3(5-1)4-2-6-4/h3-5H,1-2H2/t3-,4-/m1/s1","InChI=1S/C4H7NO/c6-2-4-3-1-5(3)4/h3-4,6H,1-2H2/t3-,4-,5?/m1/s1",51.807970000000005,4.3143199999999995,
3584,[C:1]1([H:7])([H:8])[N:2]([H:9])[C@:3]1([C@@:4]1([H:11])[C:5]([H:12])([H:13])[O:6]1)[H:10],[C:1]1([H:7])([H:8])[N:2]([H:9])[C@:3]1([C:4][C:5]([O:6][H:11])([H:12])[H:13])[H:10],"InChI=1S/C4H7NO/c1-3(5-1)4-2-6-4/h3-5H,1-2H2/t3-,4-/m1/s1","InChI=1S/C4H7NO/c6-2-1-4-3-5-4/h4-6H,2-3H2/t4-/m0/s1",65.20137,53.48412,
3585,[C:1]1([H:7])([H:8])[N:2]([H:9])[C@:3]1([C@@:4]1([H:11])[C:5]([H:12])([H:13])[O:6]1)[H:10],[C:1]([N:2]([C:3]([C@@:4]1([H:11])[C:5]([H:12])([H:13])[O:6]1)([H:7])[H:10])[H:9])[H:8],"InChI=1S/C4H7NO/c1-3(5-1)4-2-6-4/h3-5H,1-2H2/t3-,4-/m1/s1","InChI=1S/C4H7NO/c1-5-2-4-3-6-4/h1,4-5H,2-3H2/t4-/m0/s1",71.8559,33.489020000000004,
3586,[C:1]1([H:7])([H:8])[N:2]([H:9])[C@:3]1([C@@:4]1([H:11])[C:5]([H:12])([H:13])[O:6]1)[H:10],[C:1]1([H:7])([H:8])[N:2]([H:9])[C:3]([H:10])=[C:4]1[H:11].[C:5](=[O:6])([H:12])[H:13],"InChI=1S/C4H7NO/c1-3(5-1)4-2-6-4/h3-5H,1-2H2/t3-,4-/m1/s1","InChI=1S/C3H5N.CH2O/c1-2-4-3-1;1-2/h1-2,4H,3H2;1H2",92.1824,10.49037,
3587,[C:1]1([H:7])([H:8])[N:2]([H:9])[C@:3]1([C@@:4]1([H:11])[C:5]([H:12])([H:13])[O:6]1)[H:10],[C:1]1([H:7])([H:8])[N:2]([H:9])[C@:3]1([C@@:4]([C:5][H:13])([O:6][H:12])[H:11])[H:10],"InChI=1S/C4H7NO/c1-3(5-1)4-2-6-4/h3-5H,1-2H2/t3-,4-/m1/s1","InChI=1S/C4H7NO/c1-3(6)4-2-5-4/h1,3-6H,2H2/t3-,4-/m1/s1",71.61341,70.76504,
3588,[C:1]1([H:7])([H:8])[N:2]([H:9])[C@:3]1([C@@:4]1([H:11])[C:5]([H:12])([H:13])[O:6]1)[H:10],[C:1]1([H:7])([H:8])[N:2]([H:9])[C@:3]1([C:4](=[O+:6][C-:5]([H:12])[H:13])[H:11])[H:10],"InChI=1S/C4H7NO/c1-3(5-1)4-2-6-4/h3-5H,1-2H2/t3-,4-/m1/s1","InChI=1S/C4H7NO/c1-6-3-4-2-5-4/h3-5H,1-2H2/t4-/m1/s1",49.4505,41.640679999999996,
3589,[C:1]1([H:7])([H:8])[N:2]([H:9])[C@:3]1([C@@:4]1([H:11])[C:5]([H:12])([H:13])[O:6]1)[H:10],[C:1]1([H:7])([H:8])[N:2]([H:9])[C@:3]1([C@@:4]1([H:11])[C-:5]=[O+:6]1)[H:10].[H:12][H:13],"InChI=1S/C4H7NO/c1-3(5-1)4-2-6-4/h3-5H,1-2H2/t3-,4-/m1/s1","InChI=1S/C4H5NO.H2/c1-3(5-1)4-2-6-4;/h3-5H,1H2;1H/t3-,4-;/m1./s1",82.65795,66.67866,
3590,[C:1]1([H:7])([H:8])[N:2]([H:9])[C@:3]1([C@@:4]1([H:11])[C:5]([H:12])([H:13])[O:6]1)[H:10],[C:1]1([H:7])([H:8])[N:2]([H:9])[C@:3]1([O:6][C:5]([C:4][H:11])([H:12])[H:13])[H:10],"InChI=1S/C4H7NO/c1-3(5-1)4-2-6-4/h3-5H,1-2H2/t3-,4-/m1/s1","InChI=1S/C4H7NO/c1-2-6-4-3-5-4/h1,4-5H,2-3H2/t4-/m0/s1",97.74693,82.52072,
3591,[C:1]1([H:7])([H:8])[N:2]([H:9])[C@:3]1([C@@:4]1([H:11])[C:5]([H:12])([H:13])[O:6]1)[H:10],[C:1]1([H:7])([H:8])[N+:2]([H:9])([H:10])[C-:3]1[C@@:4]1([H:11])[C:5]([H:12])([H:13])[O:6]1,"InChI=1S/C4H7NO/c1-3(5-1)4-2-6-4/h3-5H,1-2H2/t3-,4-/m1/s1","InChI=1S/C4H7NO/c1-3(5-1)4-2-6-4/h4H,1-2,5H2/t4-/m1/s1",59.347930000000005,46.20932,
3592,[C:1]1([H:7])([H:8])[N:2]([H:9])[C@:3]1([C@@:4]1([H:11])[C:5]([H:12])([H:13])[O:6]1)[H:10],[C:1]([N:2]([H:9])[H:11])(/[C:3](=[C:4]1\[C:5]([H:12])([H:13])[O:6]1)[H:10])([H:7])[H:8],"InChI=1S/C4H7NO/c1-3(5-1)4-2-6-4/h3-5H,1-2H2/t3-,4-/m1/s1","InChI=1S/C4H7NO/c5-2-1-4-3-6-4/h1H,2-3,5H2/b4-1+",66.54711999999999,-4.57227,
3593,[C:1]([C:2](=[O:3])[C:4](=[O:5])[H:9])([H:6])([H:7])[H:8],[C:1]([C:2](=[O:3])[O+:5]=[C-:4][H:9])([H:6])([H:7])[H:8],"InChI=1S/C3H4O2/c1-3(5)2-4/h2H,1H3","InChI=1S/C3H4O2/c1-3(4)5-2/h2H,1H3",60.541380000000004,56.03252,
3594,[C:1]([C:2](=[O:3])[C:4](=[O:5])[H:9])([H:6])([H:7])[H:8],[C:1](=[C:2]=[O:3])([H:7])[H:8].[C:4](=[O:5])([H:6])[H:9],"InChI=1S/C3H4O2/c1-3(5)2-4/h2H,1H3",InChI=1S/C2H2O.CH2O/c1-2-3;1-2/h1H2;1H2,71.7264,25.4654,
3595,[C:1]([C:2](=[O:3])[C:4](=[O:5])[H:9])([H:6])([H:7])[H:8],[C:1]([C-:2]=[O+:3][C:4](=[O:5])[H:9])([H:6])([H:7])[H:8],"InChI=1S/C3H4O2/c1-3(5)2-4/h2H,1H3","InChI=1S/C3H4O2/c1-2-5-3-4/h3H,1H3",56.011,57.77685,
3596,[C:1]([C:2](=[O:3])[C:4](=[O:5])[H:9])([H:6])([H:7])[H:8],[C:1](=[C:2]([O:3][H:6])[C:4](=[O:5])[H:9])([H:7])[H:8],"InChI=1S/C3H4O2/c1-3(5)2-4/h2H,1H3","InChI=1S/C3H4O2/c1-3(5)2-4/h2,5H,1H2",63.85521,5.038130000000001,ketoenol
3597,[C:1]([C:2](=[O:3])[C:4](=[O:5])[H:9])([H:6])([H:7])[H:8],[C-:4]#[O+:5].[C:1]([C:2][O:3][H:9])([H:6])([H:7])[H:8],"InChI=1S/C3H4O2/c1-3(5)2-4/h2H,1H3","InChI=1S/C2H4O.CO/c1-2-3;1-2/h3H,1H3;",55.70725,55.38827,
3598,[C:1]([C:2](=[O:3])[C:4](=[O:5])[H:9])([H:6])([H:7])[H:8],[C:1]([c:2]1[o:3][o:5][c:4]1[H:9])([H:6])([H:7])[H:8],"InChI=1S/C3H4O2/c1-3(5)2-4/h2H,1H3","InChI=1S/C3H4O2/c1-3-2-4-5-3/h2H,1H3",84.55096,85.23631999999999,
3599,[C:1]([C:2](=[O:3])[C:4](=[O:5])[H:9])([H:6])([H:7])[H:8],[C-:2]#[O+:3].[C:1]([C:4](=[O:5])[H:9])([H:6])([H:7])[H:8],"InChI=1S/C3H4O2/c1-3(5)2-4/h2H,1H3","InChI=1S/C2H4O.CO/c1-2-3;1-2/h2H,1H3;",52.1786,0.006540000000000001,"1,2_Insertion_CO"
3600,[C:1]([C@@:2]1([H:10])[C@:3]([C:4]([H:12])([H:13])[H:14])([H:11])[C@:5]1([O:6][H:16])[H:15])([H:7])([H:8])[H:9],[C:1]([C@:2]1([H:10])[C@@:3]([C:4]([H:12])([H:13])[H:14])([H:11])[C:5]1)([H:7])([H:8])[H:9].[O:6]([H:15])[H:16],"InChI=1S/C5H10O/c1-3-4(2)5(3)6/h3-6H,1-2H3/t3-,4+,5-","InChI=1S/C5H8.H2O/c1-4-3-5(4)2;/h4-5H,1-2H3;1H2/t4-,5+;",72.72734,86.52628,
3601,[C:1]([C@@:2]1([H:10])[C@:3]([C:4]([H:12])([H:13])[H:14])([H:11])[C@:5]1([O:6][H:16])[H:15])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3][C@:5]1([O:6][H:16])[H:15])([H:7])([H:8])[H:9].[C:4]([H:11])([H:12])([H:13])[H:14],"InChI=1S/C5H10O/c1-3-4(2)5(3)6/h3-6H,1-2H3/t3-,4+,5-","InChI=1S/C4H6O.CH4/c1-3-2-4(3)5;/h3-5H,1H3;1H4/t3-,4+;/m0./s1",89.7092,92.69645,
3602,[C:1]([C@@:2]1([H:10])[C@:3]([C:4]([H:12])([H:13])[H:14])([H:11])[C@:5]1([O:6][H:16])[H:15])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C@:3]([C:4]([H:12])([H:13])[H:14])([H:11])[C:5]1=[O:6])([H:7])([H:8])[H:9].[H:15][H:16],"InChI=1S/C5H10O/c1-3-4(2)5(3)6/h3-6H,1-2H3/t3-,4+,5-","InChI=1S/C5H8O.H2/c1-3-4(2)5(3)6;/h3-4H,1-2H3;1H/t3-,4+;",82.87201999999999,26.8319,
3603,[C:1]([C@@:2]1([H:10])[C@:3]([C:4]([H:12])([H:13])[H:14])([H:11])[C@:5]1([O:6][H:16])[H:15])([H:7])([H:8])[H:9],[C:1]([O:6][H:16])([H:7])([H:8])[H:9].[C:2]1([H:10])=[C:5]([H:15])[C:3]1([C:4]([H:12])([H:13])[H:14])[H:11],"InChI=1S/C5H10O/c1-3-4(2)5(3)6/h3-6H,1-2H3/t3-,4+,5-","InChI=1S/C4H6.CH4O/c1-4-2-3-4;1-2/h2-4H,1H3;2H,1H3",100.89295,49.0815,
3604,[C:1]([C@@:2]1([H:10])[C@:3]([C:4]([H:12])([H:13])[H:14])([H:11])[C@:5]1([O:6][H:16])[H:15])([H:7])([H:8])[H:9],[C:1]([C@@:2]([C:3](=[C:4]([H:12])[H:14])[H:11])([C:5](=[O:6])[H:15])[H:10])([H:7])([H:8])[H:9].[H:13][H:16],"InChI=1S/C5H10O/c1-3-4(2)5(3)6/h3-6H,1-2H3/t3-,4+,5-","InChI=1S/C5H8O.H2/c1-3-5(2)4-6;/h3-5H,1H2,2H3;1H/t5-;/m0./s1",37.71954,13.432220000000001,
3605,[C:1]([C@@:2]1([H:10])[C@:3]([C:4]([H:12])([H:13])[H:14])([H:11])[C@:5]1([O:6][H:16])[H:15])([H:7])([H:8])[H:9],[C:1]([C:2][C@@:3]([C:4]([H:12])([H:13])[H:14])([C:5]([O:6][H:16])([H:10])[H:15])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-3-4(2)5(3)6/h3-6H,1-2H3/t3-,4+,5-","InChI=1S/C5H10O/c1-3-5(2)4-6/h5-6H,4H2,1-2H3/t5-/m1/s1",67.85931,69.91578,
3606,[C:1]([C@@:2]1([H:10])[C@:3]([C:4]([H:12])([H:13])[H:14])([H:11])[C@:5]1([O:6][H:16])[H:15])([H:7])([H:8])[H:9],[C:1](=[C:2]([H:9])[H:10])([H:7])[H:8].[C:3](\[C:4]([H:12])([H:13])[H:14])(=[C:5](\[O:6][H:16])[H:15])[H:11],"InChI=1S/C5H10O/c1-3-4(2)5(3)6/h3-6H,1-2H3/t3-,4+,5-","InChI=1S/C3H6O.C2H4/c1-2-3-4;1-2/h2-4H,1H3;1-2H2/b3-2-;",76.04893,10.86682,
3607,[C:1]([C@@:2]1([H:10])[C@:3]([C:4]([H:12])([H:13])[H:14])([H:11])[C@:5]1([O:6][H:16])[H:15])([H:7])([H:8])[H:9],[C:1]([C@@:2]([C@@:3]([C:4]([H:12])([H:13])[H:14])([O:6][H:16])[H:11])([C:5][H:15])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-3-4(2)5(3)6/h3-6H,1-2H3/t3-,4+,5-","InChI=1S/C5H10O/c1-4(2)5(3)6/h1,4-6H,2-3H3/t4-,5+/m0/s1",86.93224000000001,76.30874,
3608,[C:1]([C@@:2]1([H:10])[C@:3]([C:4]([H:12])([H:13])[H:14])([H:11])[C@:5]1([O:6][H:16])[H:15])([H:7])([H:8])[H:9],[C:1]([C:2]([C@@:5]([C:3][C:4]([H:12])([H:13])[H:14])([O:6][H:16])[H:15])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-3-4(2)5(3)6/h3-6H,1-2H3/t3-,4+,5-","InChI=1S/C5H10O/c1-3-5(6)4-2/h5-6H,3H2,1-2H3/t5-/m0/s1",64.8776,64.65341,
3609,[C:1]([C@@:2]1([H:10])[C@:3]([C:4]([H:12])([H:13])[H:14])([H:11])[C@:5]1([O:6][H:16])[H:15])([H:7])([H:8])[H:9],[C:1]1([H:7])([H:8])[C@:2]2([H:10])[C@@:3]([C:4]([H:12])([H:13])[H:14])([H:11])[C@:5]12[H:15].[O:6]([H:9])[H:16],"InChI=1S/C5H10O/c1-3-4(2)5(3)6/h3-6H,1-2H3/t3-,4+,5-","InChI=1S/C5H8.H2O/c1-3-4-2-5(3)4;/h3-5H,2H2,1H3;1H2/t3-,4+,5-;",91.74119,28.90007,
3610,[C:1]([C@@:2]1([H:10])[C@:3]([C:4]([H:12])([H:13])[H:14])([H:11])[C@:5]1([O:6][H:16])[H:15])([H:7])([H:8])[H:9],[C:1](=[C:2]([C:5]([C:3](=[C:4]([H:12])[H:14])[H:11])([O:6][H:16])[H:15])[H:10])([H:7])[H:8].[H:9][H:13],"InChI=1S/C5H10O/c1-3-4(2)5(3)6/h3-6H,1-2H3/t3-,4+,5-","InChI=1S/C5H8O.H2/c1-3-5(6)4-2;/h3-6H,1-2H2;1H",50.24792,25.771379999999997,
3611,[C:1]([C@@:2]1([H:10])[C@:3]([C:4]([H:12])([H:13])[H:14])([H:11])[C@:5]1([O:6][H:16])[H:15])([H:7])([H:8])[H:9],[C:1]([C@@:2]([C:3]([C:4]([H:12])([H:13])[H:14])([H:11])[H:15])([C:5][O:6][H:16])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-3-4(2)5(3)6/h3-6H,1-2H3/t3-,4+,5-","InChI=1S/C5H10O/c1-3-5(2)4-6/h5-6H,3H2,1-2H3/t5-/m0/s1",50.02896,38.58273,
3612,[C:1]([C@@:2]1([H:10])[C@:3]([C:4]([H:12])([H:13])[H:14])([H:11])[C@:5]1([O:6][H:16])[H:15])([H:7])([H:8])[H:9],[C:1]([C:2](/[C:3](=[C:5](\[O:6][H:16])[H:15])[H:11])([C:4]([H:12])([H:13])[H:14])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-3-4(2)5(3)6/h3-6H,1-2H3/t3-,4+,5-","InChI=1S/C5H10O/c1-5(2)3-4-6/h3-6H,1-2H3/b4-3-",88.36714,-10.750919999999999,
3613,[C:1]([C@@:2]1([H:10])[C@:3]([C:4]([H:12])([H:13])[H:14])([H:11])[C@:5]1([O:6][H:16])[H:15])([H:7])([H:8])[H:9],[C:1](=[C:2]([C@@:3]([C:4]([H:12])([H:13])[H:14])([C:5]([O:6][H:7])([H:15])[H:16])[H:11])[H:10])([H:8])[H:9],"InChI=1S/C5H10O/c1-3-4(2)5(3)6/h3-6H,1-2H3/t3-,4+,5-","InChI=1S/C5H10O/c1-3-5(2)4-6/h3,5-6H,1,4H2,2H3/t5-/m1/s1",64.5008,-6.21476,
3614,[o:1]1[c:2]([H:6])[n:3][n:4][c:5]1[H:7],[C:2](#[N:3])[H:6].[O:1]=[C:5]=[N:4][H:7],InChI=1S/C2H2N2O/c1-3-4-2-5-1/h1-2H,InChI=1S/CHNO.CHN/c2-1-3;1-2/h2H;1H,56.84985,-15.290729999999998,
3615,[o:1]1[c:2]([H:6])[n:3][n:4][c:5]1[H:7],[C:2](#[N:3])[H:6].[O:1][C:5](=[N:4])[H:7],InChI=1S/C2H2N2O/c1-3-4-2-5-1/h1-2H,InChI=1S/CHNO.CHN/c2-1-3;1-2/h1H;1H,85.75624,71.305,
3616,[o:1]1[c:2]([H:6])[n:3][n:4][c:5]1[H:7],[O-:1][C:2](=[N:3][N+:4]#[C:5][H:7])[H:6],InChI=1S/C2H2N2O/c1-3-4-2-5-1/h1-2H,InChI=1S/C2H2N2O/c1-3-4-2-5/h1-2H,34.74038,31.173270000000002,
3617,[o:1]1[c:2]([H:6])[n:3][n:4][c:5]1[H:7],[O+:1]([C-:2]([N+:3]#[N:4])[H:6])=[C-:5][H:7],InChI=1S/C2H2N2O/c1-3-4-2-5-1/h1-2H,InChI=1S/C2H2N2O/c1-5-2-4-3/h1-2H,114.15481000000001,94.6109,
3618,[o:1]1[c:2]([H:6])[n:3][n:4][c:5]1[H:7],[N:3]#[N:4].[O+:1](=[C-:2][H:6])[C:5][H:7],InChI=1S/C2H2N2O/c1-3-4-2-5-1/h1-2H,InChI=1S/C2H2O.N2/c1-3-2;1-2/h1-2H;,98.02436,105.0996,
3619,[N:1]#[C:2][C:3]([N:4]1[C:5]([H:9])([H:10])[C:6]1([H:11])[H:12])([H:7])[H:8],[N:1](=[C:2]=[C:3]([N:4]1[C:5]([H:9])([H:10])[C:6]1([H:11])[H:12])[H:7])[H:8],InChI=1S/C4H6N2/c5-1-2-6-3-4-6/h2-4H2,"InChI=1S/C4H6N2/c5-1-2-6-3-4-6/h2,5H,3-4H2",89.63552,18.4613,
3620,[N:1]#[C:2][C:3]([N:4]1[C:5]([H:9])([H:10])[C:6]1([H:11])[H:12])([H:7])[H:8],[N+:1](#[C-:2])[C:3]([N:4]1[C:5]([H:9])([H:10])[C:6]1([H:11])[H:12])([H:7])[H:8],InChI=1S/C4H6N2/c5-1-2-6-3-4-6/h2-4H2,InChI=1S/C4H6N2/c1-5-4-6-2-3-6/h2-4H2,56.67946,24.44501,
3621,[N:1]#[C:2][C:3]([N:4]1[C:5]([H:9])([H:10])[C:6]1([H:11])[H:12])([H:7])[H:8],[N:1]#[C:2][C:3]([C:6]([N:4]=[C:5]([H:9])[H:10])([H:11])[H:12])([H:7])[H:8],InChI=1S/C4H6N2/c5-1-2-6-3-4-6/h2-4H2,"InChI=1S/C4H6N2/c1-6-4-2-3-5/h1-2,4H2",85.32205,-20.0778,
3622,[N:1]#[C:2][C:3]([N:4]1[C:5]([H:9])([H:10])[C:6]1([H:11])[H:12])([H:7])[H:8],[N:1]1=[C:2]([C:3]([N:4]=[C:5]([H:9])[H:10])([H:7])[H:8])[C:6]1([H:11])[H:12],InChI=1S/C4H6N2/c5-1-2-6-3-4-6/h2-4H2,InChI=1S/C4H6N2/c1-5-2-4-3-6-4/h1-3H2,61.60663,20.010089999999998,
3623,[N:1]#[C:2][C:3]([N:4]1[C:5]([H:9])([H:10])[C:6]1([H:11])[H:12])([H:7])[H:8],[N:1](=[C:2]=[C:3]([H:7])[H:8])[H:11].[N:4]1=[C:6]([H:12])[C:5]1([H:9])[H:10],InChI=1S/C4H6N2/c5-1-2-6-3-4-6/h2-4H2,"InChI=1S/2C2H3N/c1-2-3-1;1-2-3/h1H,2H2;3H,1H2",51.60585,37.19032,Retroene
3624,[N:1]#[C:2][C:3]([N:4]1[C:5]([H:9])([H:10])[C:6]1([H:11])[H:12])([H:7])[H:8],[C-:3]([N+:4]1=[C:5]([H:9])[C:6]1([H:11])[H:12])([H:7])[H:8].[N:1]#[C:2][H:10],InChI=1S/C4H6N2/c5-1-2-6-3-4-6/h2-4H2,"InChI=1S/C3H5N.CHN/c1-4-2-3-4;1-2/h2H,1,3H2;1H",58.09445,59.80398,
3625,[N:1]#[C:2][C:3]([N:4]1[C:5]([H:9])([H:10])[C:6]1([H:11])[H:12])([H:7])[H:8],[N:1]#[C:2][C:3]([N+:4]1([H:9])[C-:5]([H:10])[C:6]1([H:11])[H:12])([H:7])[H:8],InChI=1S/C4H6N2/c5-1-2-6-3-4-6/h2-4H2,"InChI=1S/C4H6N2/c5-1-2-6-3-4-6/h3,6H,2,4H2",65.64217,54.7935,
3626,[N:1]#[C:2][C:3]([N:4]1[C:5]([H:9])([H:10])[C:6]1([H:11])[H:12])([H:7])[H:8],[N:1](=[C:2]=[C:3]([H:7])[H:8])[N:4]1[C:5]([H:9])([H:10])[C:6]1([H:11])[H:12],InChI=1S/C4H6N2/c5-1-2-6-3-4-6/h2-4H2,"InChI=1S/C4H6N2/c1-2-5-6-3-4-6/h1,3-4H2",71.20116999999999,36.019659999999995,
3627,[N:1]#[C:2][C:3]([N:4]1[C:5]([H:9])([H:10])[C:6]1([H:11])[H:12])([H:7])[H:8],[N:1]1([H:10])[C:2][C:3]([H:7])([H:8])[N:4]2[C@@:5]1([H:9])[C:6]2([H:11])[H:12],InChI=1S/C4H6N2/c5-1-2-6-3-4-6/h2-4H2,"InChI=1S/C4H6N2/c1-2-6-3-4(6)5-1/h4-5H,2-3H2/t4-,6?/m0/s1",70.55288,38.97403,
3628,[N:1]#[C:2][C:3]([N:4]1[C:5]([H:9])([H:10])[C:6]1([H:11])[H:12])([H:7])[H:8],[H:8][H:9].[N:1]#[C:2][C-:3]([N+:4]1=[C:5]([H:10])[C:6]1([H:11])[H:12])[H:7],InChI=1S/C4H6N2/c5-1-2-6-3-4-6/h2-4H2,"InChI=1S/C4H4N2.H2/c5-1-2-6-3-4-6;/h2-3H,4H2;1H",63.3779,55.06391,
3629,[N:1]#[C:2][C:3]([N:4]1[C:5]([H:9])([H:10])[C:6]1([H:11])[H:12])([H:7])[H:8],[N+:1](#[C-:2])[C:5]([C:6]([N:4]=[C:3]([H:7])[H:8])([H:11])[H:12])([H:9])[H:10],InChI=1S/C4H6N2/c5-1-2-6-3-4-6/h2-4H2,"InChI=1S/C4H6N2/c1-5-3-4-6-2/h1,3-4H2",58.641769999999994,5.48425,
3630,[N:1]#[C:2][C:3]([N:4]1[C:5]([H:9])([H:10])[C:6]1([H:11])[H:12])([H:7])[H:8],[N+:1](=[C-:2][C:3]([N:4]=[C:5]([H:9])[H:10])([H:7])[H:8])=[C:6]([H:11])[H:12],InChI=1S/C4H6N2/c5-1-2-6-3-4-6/h2-4H2,InChI=1S/C4H6N2/c1-5-3-4-6-2/h1-3H2,53.21213,24.730079999999997,
3631,[N:1]#[C:2][C:3]([N:4]1[C:5]([H:9])([H:10])[C:6]1([H:11])[H:12])([H:7])[H:8],[N:1]1=[C:2]([N:4]2[C:5]([H:9])([H:10])[C:6]2([H:11])[H:12])[C:3]1([H:7])[H:8],InChI=1S/C4H6N2/c5-1-2-6-3-4-6/h2-4H2,InChI=1S/C4H6N2/c1-2-6(1)4-3-5-4/h1-3H2,81.52113,29.53933,
3632,[N:1]#[C:2][C:3]([N:4]1[C:5]([H:9])([H:10])[C:6]1([H:11])[H:12])([H:7])[H:8],[C:5](=[C:6]([H:11])[H:12])([H:9])[H:10].[N:1]#[C:2][N:4]=[C:3]([H:7])[H:8],InChI=1S/C4H6N2/c5-1-2-6-3-4-6/h2-4H2,InChI=1S/C2H2N2.C2H4/c1-4-2-3;1-2/h1H2;1-2H2,75.29244,5.57182,
3633,[N:1]#[C:2][C:3]([N:4]1[C:5]([H:9])([H:10])[C:6]1([H:11])[H:12])([H:7])[H:8],[N:1]#[C:2][C:3]([N+:4]([C-:5]([H:9])[H:10])=[C:6]([H:11])[H:12])([H:7])[H:8],InChI=1S/C4H6N2/c5-1-2-6-3-4-6/h2-4H2,"InChI=1S/C4H6N2/c1-6(2)4-3-5/h1-2,4H2",38.47605,22.44081,
3634,[O:1]=[C:2]1[C:3]([H:7])([H:8])[N:4]=[C:5]([H:9])[O:6]1,[O:1]=[C:2](/[C:3](=[N:4]\[C:5](=[O:6])[H:9])[H:7])[H:8],"InChI=1S/C3H3NO2/c5-3-1-4-2-6-3/h2H,1H2",InChI=1S/C3H3NO2/c5-2-1-4-3-6/h1-3H/b4-1-,49.446999999999996,23.981070000000003,
3635,[O:1]=[C:2]1[C:3]([H:7])([H:8])[N:4]=[C:5]([H:9])[O:6]1,[C:3](=[N+:4]=[C-:5][H:9])([H:7])[H:8].[O:1]=[C:2]=[O:6],"InChI=1S/C3H3NO2/c5-3-1-4-2-6-3/h2H,1H2","InChI=1S/C2H3N.CO2/c1-3-2;2-1-3/h1H,2H2;",44.653729999999996,31.25338,
3636,[O:1]=[C:2]1[C:3]([H:7])([H:8])[N:4]=[C:5]([H:9])[O:6]1,[O-:1][c:2]1[c:3]([H:7])[n:4]([H:8])[c:5]([H:9])[o+:6]1,"InChI=1S/C3H3NO2/c5-3-1-4-2-6-3/h2H,1H2","InChI=1S/C3H3NO2/c5-3-1-4-2-6-3/h1-2,4H",55.236509999999996,13.07963,
3637,[O:1]=[C:2]1[C:3]([H:7])([H:8])[N:4]=[C:5]([H:9])[O:6]1,[O:1]=[C:2]1[C:3]([H:7])([H:8])[N:4]([H:9])[C-:5]=[O+:6]1,"InChI=1S/C3H3NO2/c5-3-1-4-2-6-3/h2H,1H2","InChI=1S/C3H3NO2/c5-3-1-4-2-6-3/h4H,1H2",71.197,31.37167,
3638,[O:1]=[C:2]1[C:3]([H:7])([H:8])[N:4]=[C:5]([H:9])[O:6]1,[O:1]=[C:2]=[C:3](/[N:4]=[C:5](\[O:6][H:7])[H:9])[H:8],"InChI=1S/C3H3NO2/c5-3-1-4-2-6-3/h2H,1H2","InChI=1S/C3H3NO2/c5-2-1-4-3-6/h1,3H,(H,4,6)",48.06459,24.54354,
3639,[O:1]=[C:2]1[C:3]([H:7])([H:8])[N:4]=[C:5]([H:9])[O:6]1,[C:3]1([H:7])([H:8])[N:4]=[C:5]1[H:9].[O:1]=[C:2]=[O:6],"InChI=1S/C3H3NO2/c5-3-1-4-2-6-3/h2H,1H2","InChI=1S/C2H3N.CO2/c1-2-3-1;2-1-3/h1H,2H2;",76.87488,28.05504,
3640,[O:1]=[C:2]1[C:3]([H:7])([H:8])[N:4]=[C:5]([H:9])[O:6]1,[O:1]=[C:2]1[C:3]([H:8])=[N:4][C:5]([H:7])([H:9])[O:6]1,"InChI=1S/C3H3NO2/c5-3-1-4-2-6-3/h2H,1H2","InChI=1S/C3H3NO2/c5-3-1-4-2-6-3/h1H,2H2",95.35602,3.48745,
3641,[O:1]=[C:2]1[C:3]([H:7])([H:8])[N:4]=[C:5]([H:9])[O:6]1,[O:1]=[C:2]1[C:3]([H:7])([H:8])[N:4]1[C:5](=[O:6])[H:9],"InChI=1S/C3H3NO2/c5-3-1-4-2-6-3/h2H,1H2","InChI=1S/C3H3NO2/c5-2-4-1-3(4)6/h2H,1H2",47.1567,33.323479999999996,ketoenol
3642,[O:1]=[C:2]1[C:3]([H:7])([H:8])[N:4]=[C:5]([H:9])[O:6]1,[C:3](=[N:4][C:5](=[O:6])[H:9])([H:7])[H:8].[O+:1]#[C-:2],"InChI=1S/C3H3NO2/c5-3-1-4-2-6-3/h2H,1H2","InChI=1S/C2H3NO.CO/c1-3-2-4;1-2/h2H,1H2;",37.244479999999996,23.5875,
3643,[O:1]=[C:2]1[C:3]([H:7])([H:8])[N:4]=[C:5]([H:9])[O:6]1,[N:4](=[C:5]=[O:6])[H:9].[O:1]=[C:2]=[C:3]([H:7])[H:8],"InChI=1S/C3H3NO2/c5-3-1-4-2-6-3/h2H,1H2",InChI=1S/C2H2O.CHNO/c1-2-3;2-1-3/h1H2;2H,68.98123000000001,11.238610000000001,
3644,[O:1]=[C:2]1[C:3]([H:7])([H:8])[N:4]=[C:5]([H:9])[O:6]1,[N:4]#[C:5][H:9].[O:1]1[C:2](=[O:6])[C:3]1([H:7])[H:8],"InChI=1S/C3H3NO2/c5-3-1-4-2-6-3/h2H,1H2",InChI=1S/C2H2O2.CHN/c3-2-1-4-2;1-2/h1H2;1H,55.5199,46.24958,
3645,[O:1]=[C:2]1[C:3]([H:7])([H:8])[N:4]=[C:5]([H:9])[O:6]1,[O:1]([c:2]1[c:3]([H:8])[n:4][c:5]([H:9])[o:6]1)[H:7],"InChI=1S/C3H3NO2/c5-3-1-4-2-6-3/h2H,1H2","InChI=1S/C3H3NO2/c5-3-1-4-2-6-3/h1-2,5H",74.54441,10.855780000000001,ketoenol
3646,[O:1]1[C@@:2]2([H:7])[C@:3]1([H:8])[C@@:4]1([H:9])[O:5][C@@:6]21[H:10],[O:1]1[C:2]([H:7])=[C:6]([H:10])[O:5][C:4]([H:9])=[C:3]1[H:8],"InChI=1S/C4H4O2/c5-1-2(5)4-3(1)6-4/h1-4H/t1-,2+,3-,4+",InChI=1S/C4H4O2/c1-2-6-4-3-5-1/h1-4H,47.24917,-54.423559999999995,
3647,[O:1]1[C@@:2]2([H:7])[C@:3]1([H:8])[C@@:4]1([H:9])[O:5][C@@:6]21[H:10],[O:1]1[C:2]([H:7])=[C:6]([H:10])[C@@:4]2([H:9])[C@:3]1([H:8])[O:5]2,"InChI=1S/C4H4O2/c5-1-2(5)4-3(1)6-4/h1-4H/t1-,2+,3-,4+","InChI=1S/C4H4O2/c1-2-5-4-3(1)6-4/h1-4H/t3-,4-/m0/s1",33.183859999999996,-55.16405,
3648,[O:1]1[C@@:2]2([H:7])[C@:3]1([H:8])[C@@:4]1([H:9])[O:5][C@@:6]21[H:10],[O+:1]1=[C-:2][C@@:6]2([H:10])[C@@:4]([H:9])([C:3]1([H:7])[H:8])[O:5]2,"InChI=1S/C4H4O2/c5-1-2(5)4-3(1)6-4/h1-4H/t1-,2+,3-,4+","InChI=1S/C4H4O2/c1-3-4(6-3)2-5-1/h3-4H,1H2/t3-,4+/m1/s1",53.54906999999999,-6.43304,
3649,[O:1]1[C@@:2]2([H:7])[C@:3]1([H:8])[C@@:4]1([H:9])[O:5][C@@:6]21[H:10],[O+:1]1=[C-:2][C@@:3]1([C@@:4]1([H:9])[O:5][C:6]1([H:7])[H:10])[H:8],"InChI=1S/C4H4O2/c5-1-2(5)4-3(1)6-4/h1-4H/t1-,2+,3-,4+","InChI=1S/C4H4O2/c1-3(5-1)4-2-6-4/h3-4H,1H2/t3-,4+/m0/s1",40.16701,9.278089999999999,
3650,[O:1]1[C@@:2]2([H:7])[C@:3]1([H:8])[C@@:4]1([H:9])[O:5][C@@:6]21[H:10],[H:7][H:8].[O+:1]1=[C-:2][C@@:6]2([H:10])[C@@:4]([H:9])([C:3]1)[O:5]2,"InChI=1S/C4H4O2/c5-1-2(5)4-3(1)6-4/h1-4H/t1-,2+,3-,4+","InChI=1S/C4H2O2.H2/c1-3-4(6-3)2-5-1;/h3-4H;1H/t3-,4+;",95.55335,94.3361,
3651,[O:1]1[C@@:2]2([H:7])[C@:3]1([H:8])[C@@:4]1([H:9])[O:5][C@@:6]21[H:10],[O+:1](=[C-:2][H:7])[C@@:3]1([H:8])[C@@:4]2([H:9])[O:5][C@@:6]12[H:10],"InChI=1S/C4H4O2/c5-1-2(5)4-3(1)6-4/h1-4H/t1-,2+,3-,4+","InChI=1S/C4H4O2/c1-5-2-3-4(2)6-3/h1-4H/t2-,3+,4-",75.72359,50.46813,
3652,[O:1]1[C@@:2]2([H:7])[C@:3]1([H:8])[C@@:4]1([H:9])[O:5][C@@:6]21[H:10],[O:1]=[C:2](/[C:3](=[C:4](\[C:6](=[O:5])[H:10])[H:9])[H:8])[H:7],"InChI=1S/C4H4O2/c5-1-2(5)4-3(1)6-4/h1-4H/t1-,2+,3-,4+",InChI=1S/C4H4O2/c5-3-1-2-4-6/h1-4H/b2-1-,30.94247,-75.30031,
3653,[O:1]1[C@@:2]2([H:7])[C@:3]1([H:8])[C@@:4]1([H:9])[O:5][C@@:6]21[H:10],[O:1]=[C:3]([C@@:4]1([H:9])[O:5][C@:6]1([C:2][H:7])[H:10])[H:8],"InChI=1S/C4H4O2/c5-1-2(5)4-3(1)6-4/h1-4H/t1-,2+,3-,4+","InChI=1S/C4H4O2/c1-3-4(2-5)6-3/h1-4H/t3-,4+/m0/s1",41.2442,37.87422,
3654,[C:1]([C:2]1([C:3]([H:9])([H:10])[H:11])[C:4]([H:12])([H:13])[C:5]1([H:14])[H:15])([H:6])([H:7])[H:8],[C:1]([C:4]([C:5]([C:2][C:3]([H:9])([H:10])[H:11])([H:14])[H:15])([H:12])[H:13])([H:6])([H:7])[H:8],"InChI=1S/C5H10/c1-5(2)3-4-5/h3-4H2,1-2H3","InChI=1S/C5H10/c1-3-5-4-2/h3,5H2,1-2H3",95.98826,70.799,
3655,[C:1]([C:2](=[O:3])[C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]([O-:3])=[C:4]([O+:6]=[C:5]([H:11])[H:12])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H6O2/c1-3(5)4-2-6-4/h4H,2H2,1H3/t4-/m1/s1","InChI=1S/C4H6O2/c1-4(5)3-6-2/h3H,2H2,1H3",42.2056,29.60036,
3656,[C:1]([C:2](=[O:3])[C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)([H:7])([H:8])[H:9],[C:1](=[C:2]([O:3][H:9])[C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)([H:7])[H:8],"InChI=1S/C4H6O2/c1-3(5)4-2-6-4/h4H,2H2,1H3/t4-/m1/s1","InChI=1S/C4H6O2/c1-3(5)4-2-6-4/h4-5H,1-2H2/t4-/m1/s1",63.95791,9.6919,ketoenol
3657,[C:1]([C:2](=[O:3])[C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)([H:7])([H:8])[H:9],[C:1](=[C:2]=[O:3])([H:7])[H:8].[C:4]1([H:9])([H:10])[C:5]([H:11])([H:12])[O:6]1,"InChI=1S/C4H6O2/c1-3(5)4-2-6-4/h4H,2H2,1H3/t4-/m1/s1",InChI=1S/C2H4O.C2H2O/c1-2-3-1;1-2-3/h1-2H2;1H2,80.03171999999999,25.89617,
3658,[C:1]([C:2](=[O:3])[C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)([H:7])([H:8])[H:9],[C:1](/[C:2]([O:3][H:10])=[C:4]1/[C:5]([H:11])([H:12])[O:6]1)([H:7])([H:8])[H:9],"InChI=1S/C4H6O2/c1-3(5)4-2-6-4/h4H,2H2,1H3/t4-/m1/s1","InChI=1S/C4H6O2/c1-3(5)4-2-6-4/h5H,2H2,1H3/b4-3+",62.246159999999996,18.27851,ketoenol
3659,[C:1]([C:2](=[O:3])[C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:11].[C:2](=[O:3])=[C:4]([C:5](=[O:6])[H:12])[H:10],"InChI=1S/C4H6O2/c1-3(5)4-2-6-4/h4H,2H2,1H3/t4-/m1/s1",InChI=1S/C3H2O2.CH4/c4-2-1-3-5;/h1-2H;1H4,90.61505,-11.78915,
3660,[C:1]([C:2](=[O:3])[C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]([O-:3])=[C+:4][C:5]([O:6][H:10])([H:11])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H6O2/c1-3(5)4-2-6-4/h4H,2H2,1H3/t4-/m1/s1","InChI=1S/C4H6O2/c1-4(6)2-3-5/h5H,3H2,1H3",63.538540000000005,53.305009999999996,
3661,[C:1]([C:2](=[O:3])[C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C:2](=[O:3])[C@@:4]([C:5][H:11])([O:6][H:12])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H6O2/c1-3(5)4-2-6-4/h4H,2H2,1H3/t4-/m1/s1","InChI=1S/C4H6O2/c1-3(5)4(2)6/h1,3,5H,2H3/t3-/m1/s1",70.4858,68.86715,
3662,[C:1]([C:2](=[O:3])[C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)([H:7])([H:8])[H:9],[C:1](=[C:2]1[O:3][C@:4]12[C:5]([H:11])([H:12])[O:6]2)([H:7])[H:8].[H:9][H:10],"InChI=1S/C4H6O2/c1-3(5)4-2-6-4/h4H,2H2,1H3/t4-/m1/s1",InChI=1S/C4H4O2.H2/c1-3-4(6-3)2-5-4;/h1-2H2;1H/t4-;/m1./s1,91.10882,62.486909999999995,
3663,[C:1]([C:2](=[O:3])[C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C+:2]=[C:4]([O-:3])[H:10])([H:7])([H:8])[H:9].[C:5](=[O:6])([H:11])[H:12],"InChI=1S/C4H6O2/c1-3(5)4-2-6-4/h4H,2H2,1H3/t4-/m1/s1","InChI=1S/C3H4O.CH2O/c1-2-3-4;1-2/h3H,1H3;1H2",73.51566,74.64936,
3664,[C:1]([C:2](=[O:3])[C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C:2](=[O:3])[C:5]([C:4](=[O:6])[H:10])([H:11])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H6O2/c1-3(5)4-2-6-4/h4H,2H2,1H3/t4-/m1/s1","InChI=1S/C4H6O2/c1-4(6)2-3-5/h3H,2H2,1H3",73.25712,-22.10227,
3665,[C:1]([C:2](=[O:3])[C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C@@:2]1([C:4](=[O:6])[H:10])[O:3][C:5]1([H:11])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H6O2/c1-3(5)4-2-6-4/h4H,2H2,1H3/t4-/m1/s1","InChI=1S/C4H6O2/c1-4(2-5)3-6-4/h2H,3H2,1H3/t4-/m0/s1",48.102090000000004,1.73265,
3666,[C:1]([C:2](=[O:3])[C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C-:2]([O:3][H:12])[C@@:4]1([H:10])[C:5]([H:11])=[O+:6]1)([H:7])([H:8])[H:9],"InChI=1S/C4H6O2/c1-3(5)4-2-6-4/h4H,2H2,1H3/t4-/m1/s1","InChI=1S/C4H6O2/c1-3(5)4-2-6-4/h2,4-5H,1H3/t4-/m1/s1",94.75094,60.74423,
3667,[C:1]([C:2](=[O:3])[C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C:2](=[O+:3][O-:6])[C:4](=[C:5]([H:11])[H:12])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H6O2/c1-3(5)4-2-6-4/h4H,2H2,1H3/t4-/m1/s1","InChI=1S/C4H6O2/c1-3-4(2)6-5/h3H,1H2,2H3",108.03738999999999,67.91656,
3668,[C:1]([C:2](=[O:3])[C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C:2](=[O:3])[C:4]([O+:6]=[C-:5][H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H6O2/c1-3(5)4-2-6-4/h4H,2H2,1H3/t4-/m1/s1","InChI=1S/C4H6O2/c1-4(5)3-6-2/h2H,3H2,1H3",75.44609,49.98105,
3669,[C:1]([C:2](=[O:3])[C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C@@:2]12[O:3][C@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]2)([H:7])([H:8])[H:9],"InChI=1S/C4H6O2/c1-3(5)4-2-6-4/h4H,2H2,1H3/t4-/m1/s1","InChI=1S/C4H6O2/c1-4-3(6-4)2-5-4/h3H,2H2,1H3/t3-,4-/m1/s1",58.688669999999995,23.87069,
3670,[C:1]([C:2](=[O:3])[C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]([O-:3])=[C:4]=[O+:6][C:5]([H:10])([H:11])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H6O2/c1-3(5)4-2-6-4/h4H,2H2,1H3/t4-/m1/s1",InChI=1S/C4H6O2/c1-4(5)3-6-2/h1-2H3,73.55637,38.63276,
3671,[C:1]([C:2]([C:3]#[C:4][C:5]([C:6]([H:14])([H:15])[H:16])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]=[C:4]([C:5]([C:6]([H:14])([H:15])[H:16])([H:12])[H:13])[H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-3-5-6-4-2/h3-4H2,1-2H3","InChI=1S/C6H10/c1-3-5-6-4-2/h3,6H,4H2,1-2H3",81.9907,-2.5278,
3672,[C:1]([C:2]([C:3]#[C:4][C:5]([C:6]([H:14])([H:15])[H:16])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]1([H:7])([H:9])[C:2]([H:10])([H:11])[C:3]1=[C:4]([C:5]([C:6]([H:14])([H:15])[H:16])([H:12])[H:13])[H:8],"InChI=1S/C6H10/c1-3-5-6-4-2/h3-4H2,1-2H3","InChI=1S/C6H10/c1-2-3-6-4-5-6/h3H,2,4-5H2,1H3",82.39851999999999,4.726369999999999,
3673,[C:1]([C:2]([C:3]#[C:4][C:5]([C:6]([H:14])([H:15])[H:16])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3](=[C:4]=[C:5]([H:12])[H:13])[C:6]([H:14])([H:15])[H:16])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-3-5-6-4-2/h3-4H2,1-2H3","InChI=1S/C6H10/c1-4-6(3)5-2/h1,5H2,2-3H3",75.17191,-3.2004200000000003,
3674,[C:1]([C:2]([C:3]#[C:4][C:5]([C:6]([H:14])([H:15])[H:16])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:4](=[C:3])[C:5]([C:6]([H:14])([H:15])[H:16])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-3-5-6-4-2/h3-4H2,1-2H3","InChI=1S/C6H10/c1-4-6(3)5-2/h4-5H2,1-2H3",56.145669999999996,55.19461,
3675,[C:1]([C:2]([C:3]#[C:4][C:5]([C:6]([H:14])([H:15])[H:16])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]1=[C:4]([H:14])[C:5]([H:12])([H:13])[C:6]1([H:15])[H:16])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-3-5-6-4-2/h3-4H2,1-2H3","InChI=1S/C6H10/c1-2-6-4-3-5-6/h4H,2-3,5H2,1H3",92.42364,-2.22085,
3676,[C:1]([C:2]([C:3]#[C:4][C:5]([C:6]([H:14])([H:15])[H:16])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](/[C:2](=[C:3](\[C:4][C:5]([C:6]([H:14])([H:15])[H:16])([H:12])[H:13])[H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-3-5-6-4-2/h3-4H2,1-2H3","InChI=1S/C6H10/c1-3-5-6-4-2/h3,5H,4H2,1-2H3/b5-3-",66.69255,55.101409999999994,
3677,[C:1]([C:2]([C:3]#[C:4][C:5]([C:6]([H:14])([H:15])[H:16])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C+:2](=[C:3]=[C-:4][C:5]([C:6]([H:14])([H:15])[H:16])([H:12])[H:13])[H:11].[C:1]([H:7])([H:8])([H:9])[H:10],"InChI=1S/C6H10/c1-3-5-6-4-2/h3-4H2,1-2H3","InChI=1S/C5H6.CH4/c1-3-5-4-2;/h1H,4H2,2H3;1H4",75.8916,79.04297,
3678,[C:1]([C:2]([C:3]#[C:4][C:5]([C:6]([H:14])([H:15])[H:16])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]1([H:7])([H:9])[C:2]([H:10])([H:11])[C:3]1=[C:4]=[C:5]([C:6]([H:14])([H:15])[H:16])[H:12].[H:8][H:13],"InChI=1S/C6H10/c1-3-5-6-4-2/h3-4H2,1-2H3","InChI=1S/C6H8.H2/c1-2-3-6-4-5-6;/h2H,4-5H2,1H3;1H",82.0048,40.7811,
3679,[C:1]([C:2]([C:3]#[C:4][C:5]([C:6]([H:14])([H:15])[H:16])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C@:2]1([H:11])[C:3]([H:10])=[C:4]1[C:5]([C:6]([H:14])([H:15])[H:16])([H:12])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-3-5-6-4-2/h3-4H2,1-2H3","InChI=1S/C6H10/c1-3-6-4-5(6)2/h4-5H,3H2,1-2H3/t5-/m1/s1",55.51916,16.71164,
3680,[C:1]([C:2]([C:3]#[C:4][C:5]([C:6]([H:14])([H:15])[H:16])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]=[C:4]=[C:5]([H:12])[H:13])[H:11])([H:7])([H:8])[H:9].[C:6]([H:10])([H:14])([H:15])[H:16],"InChI=1S/C6H10/c1-3-5-6-4-2/h3-4H2,1-2H3","InChI=1S/C5H6.CH4/c1-3-5-4-2;/h4H,1H2,2H3;1H4",85.01099,17.605729999999998,
3681,[C:1]([C:2]1([C:5](=[O:6])[H:14])[C:3]([H:10])([H:11])[C:4]1([H:12])[H:13])([H:7])([H:8])[H:9],[C:1](=[C:2]1[C:3]([H:10])([H:11])[C:4]1([H:12])[H:13])([H:7])[H:9].[C:5](=[O:6])([H:8])[H:14],"InChI=1S/C5H8O/c1-5(4-6)2-3-5/h4H,2-3H2,1H3",InChI=1S/C4H6.CH2O/c1-4-2-3-4;1-2/h1-3H2;1H2,80.70572,43.120540000000005,
3682,[C:1]([C:2]1([C:5](=[O:6])[H:14])[C:3]([H:10])([H:11])[C:4]1([H:12])[H:13])([H:7])([H:8])[H:9],[C:1]([O:6][C:5](=[C:2]1[C:3]([H:10])([H:11])[C:4]1([H:12])[H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-5(4-6)2-3-5/h4H,2-3H2,1H3","InChI=1S/C5H8O/c1-6-4-5-2-3-5/h4H,2-3H2,1H3",88.91024,30.90188,ketoenol
3683,[C:1]([C:2]1([C:5](=[O:6])[H:14])[C:3]([H:10])([H:11])[C:4]1([H:12])[H:13])([H:7])([H:8])[H:9],[C:1]([C:2]1=[C:5]([H:14])[O:6][C:3]([H:10])([H:11])[C:4]1([H:12])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-5(4-6)2-3-5/h4H,2-3H2,1H3","InChI=1S/C5H8O/c1-5-2-3-6-4-5/h4H,2-3H2,1H3",43.90245,-1.2937,ketoenol
3684,[C:1]([C:2]1([C:5](=[O:6])[H:14])[C:3]([H:10])([H:11])[C:4]1([H:12])[H:13])([H:7])([H:8])[H:9],[C:1]([C@:2]12[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C@@:5]1([H:14])[O:6]2)([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-5(4-6)2-3-5/h4H,2-3H2,1H3","InChI=1S/C5H8O/c1-5-3-2-4(5)6-5/h4H,2-3H2,1H3/t4-,5+/m1/s1",63.0875,24.85848,
3685,[C:1]([C:2]1([C:5](=[O:6])[H:14])[C:3]([H:10])([H:11])[C:4]1([H:12])[H:13])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]([H:10])[H:11])[C@@:5]1([H:14])[C:4]([H:12])([H:13])[O:6]1)([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-5(4-6)2-3-5/h4H,2-3H2,1H3","InChI=1S/C5H8O/c1-4(2)5-3-6-5/h5H,1,3H2,2H3/t5-/m1/s1",85.02421,19.08173,
3686,[C:1]([C:2]1([C:5](=[O:6])[H:14])[C:3]([H:10])([H:11])[C:4]1([H:12])[H:13])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([C:5](=[O:6])[H:14])([H:10])[H:11])=[C:4]([H:12])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-5(4-6)2-3-5/h4H,2-3H2,1H3","InChI=1S/C5H8O/c1-5(2)3-4-6/h4H,1,3H2,2H3",70.66974,-2.62023,
3687,[C:1]([C:2]1([C:5](=[O:6])[H:14])[C:3]([H:10])([H:11])[C:4]1([H:12])[H:13])([H:7])([H:8])[H:9],[C-:1]([O+:6]=[C:5]([C:2]1([H:7])[C:3]([H:10])([H:11])[C:4]1([H:12])[H:13])[H:14])([H:8])[H:9],"InChI=1S/C5H8O/c1-5(4-6)2-3-5/h4H,2-3H2,1H3","InChI=1S/C5H8O/c1-6-4-5-2-3-5/h4-5H,1-3H2",103.96562,67.02773,
3688,[C:1]([C:2]1([C:5](=[O:6])[H:14])[C:3]([H:10])([H:11])[C:4]1([H:12])[H:13])([H:7])([H:8])[H:9],[C-:5]#[O+:6].[C:1]([C:2]1=[C:3]([H:11])[C:4]1([H:12])[H:13])([H:7])([H:8])[H:9].[H:10][H:14],"InChI=1S/C5H8O/c1-5(4-6)2-3-5/h4H,2-3H2,1H3","InChI=1S/C4H6.CO.H2/c1-4-2-3-4;1-2;/h2H,3H2,1H3;;1H",77.0376,54.81021,
3689,[C:1]([C:2]1([C:5](=[O:6])[H:14])[C:3]([H:10])([H:11])[C:4]1([H:12])[H:13])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([C:5]#[O+:6])[C:3]([H:10])([H:11])[C-:4]1[H:13])([H:7])([H:8])[H:9].[H:12][H:14],"InChI=1S/C5H8O/c1-5(4-6)2-3-5/h4H,2-3H2,1H3","InChI=1S/C5H6O.H2/c1-5(4-6)2-3-5;/h2H,3H2,1H3;1H/t5-;/m0./s1",107.45687,74.17319,
3690,[C:1]([C:2]1([C:5](=[O:6])[H:14])[C:3]([H:10])([H:11])[C:4]1([H:12])[H:13])([H:7])([H:8])[H:9],[C:1]([C:2]([C:5]1([H:14])[C:3]([H:10])([H:11])[C:4]1([H:12])[H:13])=[O:6])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-5(4-6)2-3-5/h4H,2-3H2,1H3","InChI=1S/C5H8O/c1-4(6)5-2-3-5/h5H,2-3H2,1H3",87.71473,-1.63073,
3691,[C:1]([C:2]1([C:5](=[O:6])[H:14])[C:3]([H:10])([H:11])[C:4]1([H:12])[H:13])([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:12].[C:2]1([C:5](=[O:6])[H:14])=[C:4]([H:13])[C:3]1([H:10])[H:11],"InChI=1S/C5H8O/c1-5(4-6)2-3-5/h4H,2-3H2,1H3","InChI=1S/C4H4O.CH4/c5-3-4-1-2-4;/h1,3H,2H2;1H4",112.6359,45.52903,
3692,[C:1]([C:2]1([C:5](=[O:6])[H:14])[C:3]([H:10])([H:11])[C:4]1([H:12])[H:13])([H:7])([H:8])[H:9],[C:1]([C@:2]1([C:4]([C:3][H:10])([H:12])[H:13])[C:5]([H:11])([H:14])[O:6]1)([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-5(4-6)2-3-5/h4H,2-3H2,1H3","InChI=1S/C5H8O/c1-3-5(2)4-6-5/h1H,3-4H2,2H3/t5-/m0/s1",139.15716,102.73793,
3693,[C:1]([C:2]1([C:5](=[O:6])[H:14])[C:3]([H:10])([H:11])[C:4]1([H:12])[H:13])([H:7])([H:8])[H:9],[C:1]([C:2]1([C:5][O:6][H:14])[C:3]([H:10])([H:11])[C:4]1([H:12])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-5(4-6)2-3-5/h4H,2-3H2,1H3","InChI=1S/C5H8O/c1-5(4-6)2-3-5/h6H,2-3H2,1H3",79.7836,53.94786,
3694,[C:1]([C:2]([C:3]#[C:4][C:5]([H:11])([H:12])[H:13])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3][C@:4]1([C:5]([H:11])([H:12])[H:13])[H:6],"InChI=1S/C5H8/c1-3-5-4-2/h3H2,1-2H3","InChI=1S/C5H8/c1-5-3-2-4-5/h5H,2-3H2,1H3/t5-/m0/s1",95.79359000000001,66.83848,
3695,[C:1]([C:2]([C:3]#[C:4][C:5]([H:11])([H:12])[H:13])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([C:4](=[C:3]=[C:2]([H:9])[H:10])[C:5]([H:11])([H:12])[H:13])([H:6])([H:7])[H:8],"InChI=1S/C5H8/c1-3-5-4-2/h3H2,1-2H3","InChI=1S/C5H8/c1-4-5(2)3/h1H2,2-3H3",76.09894,-3.13298,
3696,[C:1]([C:2]([C:3]#[C:4][C:5]([H:11])([H:12])[H:13])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([C:2]([C:3](=[C:4]=[C:5]([H:12])[H:13])[H:11])([H:9])[H:10])([H:6])([H:7])[H:8],"InChI=1S/C5H8/c1-3-5-4-2/h3H2,1-2H3","InChI=1S/C5H8/c1-3-5-4-2/h5H,1,4H2,2H3",88.55285,-0.28496,
3697,[C:1]([C:2]([C:3]#[C:4][C:5]([H:11])([H:12])[H:13])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]1=[C:4]([C:5]([H:11])([H:12])[H:13])[H:6],"InChI=1S/C5H8/c1-3-5-4-2/h3H2,1-2H3","InChI=1S/C5H8/c1-2-5-3-4-5/h2H,3-4H2,1H3",82.88552,4.9333,
3698,[C:1]([C:2]([C:3]#[C:4][C:5]([H:11])([H:12])[H:13])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]1([C:4][C:5]([H:11])([H:12])[H:13])[H:6],"InChI=1S/C5H8/c1-3-5-4-2/h3H2,1-2H3","InChI=1S/C5H8/c1-2-5-3-4-5/h5H,3-4H2,1H3",88.05241,63.27564,
3699,[C:1]([C:2]([C:3]#[C:4][C:5]([H:11])([H:12])[H:13])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([C:2](=[C:3]=[C:4]([C:5]([H:11])([H:12])[H:13])[H:9])[H:10])([H:6])([H:7])[H:8],"InChI=1S/C5H8/c1-3-5-4-2/h3H2,1-2H3","InChI=1S/C5H8/c1-3-5-4-2/h3-4H,1-2H3",83.31191,-2.14078,
3700,[C:1]([C:2]([C:3]#[C:4][C:5]([H:11])([H:12])[H:13])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([C:2]([C:4](=[C:3])[C:5]([H:11])([H:12])[H:13])([H:9])[H:10])([H:6])([H:7])[H:8],"InChI=1S/C5H8/c1-3-5-4-2/h3H2,1-2H3","InChI=1S/C5H8/c1-4-5(2)3/h4H2,1-2H3",56.73348000000001,54.765640000000005,
3701,[C:1]([C:2]([C:3]#[C:4][C:5]([H:11])([H:12])[H:13])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([C:2](=[C:3]=[C:4]=[C:5]([H:12])[H:13])[H:9])([H:6])([H:7])[H:8].[H:10][H:11],"InChI=1S/C5H8/c1-3-5-4-2/h3H2,1-2H3","InChI=1S/C5H6.H2/c1-3-5-4-2;/h4H,1H2,2H3;1H",68.30864,31.89827,
3702,[C:1]([C:2]([C:3]#[C:4][C:5]([H:11])([H:12])[H:13])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]1=[C:4]=[C:5]([H:12])[H:13].[H:6][H:11],"InChI=1S/C5H8/c1-3-5-4-2/h3H2,1-2H3","InChI=1S/C5H6.H2/c1-2-5-3-4-5;/h1,3-4H2;1H",85.7664,43.27009,
3703,[C:1]([c:2]1[n:3][o:4][c:5]([H:10])[c:6]1[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]1[N-:3][O:4][C:5]([H:8])([H:10])[C+:6]1[H:11])([H:7])[H:9],"InChI=1S/C4H5NO/c1-4-2-3-6-5-4/h2-3H,1H3","InChI=1S/C4H5NO/c1-4-2-3-6-5-4/h2H,1,3H2",128.42748,65.56425,
3704,[C:1]([c:2]1[n:3][o:4][c:5]([H:10])[c:6]1[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]#[N+:3][O-:4])([H:7])([H:8])[H:9].[C:5](#[C:6][H:11])[H:10],"InChI=1S/C4H5NO/c1-4-2-3-6-5-4/h2-3H,1H3",InChI=1S/C2H3NO.C2H2/c1-2-3-4;1-2/h1H3;1-2H,79.4068,74.71257,
3705,[C:1]([c:2]1[n:3][o:4][c:5]([H:10])[c:6]1[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]1=[N:3][C@:6]1([C:5](=[O:4])[H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-4-2-3-6-5-4/h2-3H,1H3","InChI=1S/C4H5NO/c1-3-4(2-6)5-3/h2,4H,1H3/t4-/m0/s1",47.770920000000004,13.66129,ketoenol
3706,[C:1]([c:2]1[n:3][o:4][c:5]([H:10])[c:6]1[H:11])([H:7])([H:8])[H:9],[C:1]([N:3]=[C:2]=[C:6]([C:5](=[O:4])[H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-4-2-3-6-5-4/h2-3H,1H3","InChI=1S/C4H5NO/c1-5-3-2-4-6/h2,4H,1H3",51.7728,-0.007890000000000001,
3707,[C:1]([c:2]1[n:3][o:4][c:5]([H:10])[c:6]1[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([N:3]=[O:4])=[C:6]=[C:5]([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-4-2-3-6-5-4/h2-3H,1H3","InChI=1S/C4H5NO/c1-3-4(2)5-6/h1H2,2H3",75.43507,57.396519999999995,
3708,[C:1]([c:2]1[n:3][o:4][c:5]([H:10])[c:6]1[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](=[N-:3])[C:6](=[C+:5][O:4][H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-4-2-3-6-5-4/h2-3H,1H3","InChI=1S/C4H5NO/c1-4(5)2-3-6/h2,6H,1H3",85.13507,59.70389,
3709,[C:1]([c:2]1[n:3][o:4][c:5]([H:10])[c:6]1[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]1[N-:3][O+:4]=[C:5]([H:10])[C:6]1([H:8])[H:11])([H:7])[H:9],"InChI=1S/C4H5NO/c1-4-2-3-6-5-4/h2-3H,1H3","InChI=1S/C4H5NO/c1-4-2-3-6-5-4/h3H,1-2H2",95.31061,54.10135,
3710,[C:1]([c:2]1[n:3][o:4][c:5]([H:10])[c:6]1[H:11])([H:7])([H:8])[H:9],[C:1]([C@@:6]([C:2]#[N:3])([C:5](=[O:4])[H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-4-2-3-6-5-4/h2-3H,1H3","InChI=1S/C4H5NO/c1-4(2-5)3-6/h3-4H,1H3/t4-/m0/s1",61.67547,-13.795689999999999,
3711,[C:1]([c:2]1[n:3][o:4][c:5]([H:10])[c:6]1[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]1=[C:6]=[C:5]([H:10])[O:4][N:3]1[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-4-2-3-6-5-4/h2-3H,1H3","InChI=1S/C4H5NO/c1-4-2-3-6-5-4/h3,5H,1H3",101.04419,59.000769999999996,
3712,[C:1]([N:2]([C:3]([C:4]#[N:5])([H:10])[H:11])[H:9])([H:6])([H:7])[H:8],[C-:1]([N:2]([C+:3]([H:10])[H:11])[H:9])([H:6])[H:7].[C:4](#[N:5])[H:8],"InChI=1S/C3H6N2/c1-5-3-2-4/h5H,3H2,1H3","InChI=1S/C2H5N.CHN/c1-3-2;1-2/h3H,1-2H2;1H",49.23062,54.556230000000006,
3713,[C:1]([N:2]([C:3]([C:4]#[N:5])([H:10])[H:11])[H:9])([H:6])([H:7])[H:8],[C:1]([N:2]=[C:3]([H:10])[H:11])([H:6])([H:7])[H:8].[C:4]=[N:5][H:9],"InChI=1S/C3H6N2/c1-5-3-2-4/h5H,3H2,1H3","InChI=1S/C2H5N.CHN/c1-3-2;1-2/h1H2,2H3;2H",51.83529,41.17515,
3714,[C:1]([N:2]([C:3]([C:4]#[N:5])([H:10])[H:11])[H:9])([H:6])([H:7])[H:8],[C:1]([N:2]([C:4]1=[N:5][C:3]1([H:10])[H:11])[H:9])([H:6])([H:7])[H:8],"InChI=1S/C3H6N2/c1-5-3-2-4/h5H,3H2,1H3","InChI=1S/C3H6N2/c1-4-3-2-5-3/h2H2,1H3,(H,4,5)",81.41020999999999,25.579810000000002,
3715,[C:1]([N:2]([C:3]([C:4]#[N:5])([H:10])[H:11])[H:9])([H:6])([H:7])[H:8],[C:1]1([H:7])([H:8])[N:2]([H:9])[C:3]([H:10])([H:11])[C:4][N:5]1[H:6],"InChI=1S/C3H6N2/c1-5-3-2-4/h5H,3H2,1H3","InChI=1S/C3H6N2/c1-2-5-3-4-1/h4-5H,1,3H2",66.04052,42.18935,
3716,[C:1]([N:2]([C:3]([C:4]#[N:5])([H:10])[H:11])[H:9])([H:6])([H:7])[H:8],[C-:1]([N+:2]([C:3]([C:4]#[N:5])([H:10])[H:11])([H:8])[H:9])([H:6])[H:7],"InChI=1S/C3H6N2/c1-5-3-2-4/h5H,3H2,1H3","InChI=1S/C3H6N2/c1-5-3-2-4/h1,3,5H2",82.2896,70.61598000000001,
3717,[C:1]([N:2]([C:3]([C:4]#[N:5])([H:10])[H:11])[H:9])([H:6])([H:7])[H:8],[C:1]([N+:2]([C-:3]([C:4]#[N:5])[H:11])([H:9])[H:10])([H:6])([H:7])[H:8],"InChI=1S/C3H6N2/c1-5-3-2-4/h5H,3H2,1H3","InChI=1S/C3H6N2/c1-5-3-2-4/h3H,5H2,1H3",64.35344,43.21354,
3718,[C:1]([N:2]([C:3]([C:4]#[N:5])([H:10])[H:11])[H:9])([H:6])([H:7])[H:8],[C:1]([N:2]([C:3]([N+:5]#[C-:4])([H:10])[H:11])[H:9])([H:6])([H:7])[H:8],"InChI=1S/C3H6N2/c1-5-3-2-4/h5H,3H2,1H3","InChI=1S/C3H6N2/c1-4-3-5-2/h4H,3H2,1H3",43.20548,22.88889,
3719,[C:1]([N:2]([C:3]([C:4]#[N:5])([H:10])[H:11])[H:9])([H:6])([H:7])[H:8],[C:1](=[N:2][H:9])([H:7])[H:8].[C:3](=[C:4]=[N:5][H:6])([H:10])[H:11],"InChI=1S/C3H6N2/c1-5-3-2-4/h5H,3H2,1H3","InChI=1S/C2H3N.CH3N/c1-2-3;1-2/h3H,1H2;2H,1H2",50.531209999999994,29.31816,Retroene
3720,[C:1]([N:2]([C:3]([C:4]#[N:5])([H:10])[H:11])[H:9])([H:6])([H:7])[H:8],[C+:1]([N:2]([C:3](=[C:4]=[N-:5])[H:11])[H:9])([H:6])[H:7].[H:8][H:10],"InChI=1S/C3H6N2/c1-5-3-2-4/h5H,3H2,1H3","InChI=1S/C3H4N2.H2/c1-5-3-2-4;/h3,5H,1H2;1H",51.30675,40.913990000000005,
3721,[C:1]([N:2]([C:3]([C:4]#[N:5])([H:10])[H:11])[H:9])([H:6])([H:7])[H:8],[C:1]([N:2]([N:5]=[C:4]=[C:3]([H:10])[H:11])[H:9])([H:6])([H:7])[H:8],"InChI=1S/C3H6N2/c1-5-3-2-4/h5H,3H2,1H3","InChI=1S/C3H6N2/c1-3-5-4-2/h4H,1H2,2H3",78.28786,35.419509999999995,
3722,[O:1]([C@@:2]1([H:8])[C@:3]([O:4][H:10])([H:9])[C@:5]1([O:6][H:12])[H:11])[H:7],[C:3]([O:4][H:10])[H:9].[O:1](/[C:2](=[C:5](\[O:6][H:12])[H:11])[H:8])[H:7],"InChI=1S/C3H6O3/c4-1-2(5)3(1)6/h1-6H/t1-,2+,3-",InChI=1S/C2H4O2.CH2O/c3-1-2-4;1-2/h1-4H;1-2H/b2-1-;,49.25871,63.80599,
3723,[O:1]([C@@:2]1([H:8])[C@:3]([O:4][H:10])([H:9])[C@:5]1([O:6][H:12])[H:11])[H:7],[O:1]([C:2][C@@:3]([O:4][H:10])([C:5]([O:6][H:12])([H:8])[H:11])[H:9])[H:7],"InChI=1S/C3H6O3/c4-1-2(5)3(1)6/h1-6H/t1-,2+,3-","InChI=1S/C3H6O3/c4-1-3(6)2-5/h3-6H,1H2/t3-/m0/s1",50.96148,32.165240000000004,
3724,[C:1]([C:2]([C@@:3]([O:4][H:13])([C:5]#[N:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3](=[C:5]=[N:6][O:4][H:13])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-2-4(6)3-5/h4,6H,2H2,1H3/t4-/m1/s1","InChI=1S/C4H7NO/c1-2-3-4-5-6/h3,6H,2H2,1H3",88.05246,49.092079999999996,
3725,[C:1]([C:2]([C@@:3]([O:4][H:13])([C:5]#[N:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([N+:6]#[C-:5])([H:7])([H:8])[H:9].[C:2](=[C:3]([O:4][H:13])[H:12])([H:10])[H:11],"InChI=1S/C4H7NO/c1-2-4(6)3-5/h4,6H,2H2,1H3/t4-/m1/s1","InChI=1S/C2H3N.C2H4O/c1-3-2;1-2-3/h1H3;2-3H,1H2",116.45053,43.27843,
3726,[C:1]([C:2]([C@@:3]([O:4][H:13])([C:5]#[N:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([O:4][H:13])=[C:5]=[N:6][H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-2-4(6)3-5/h4,6H,2H2,1H3/t4-/m1/s1","InChI=1S/C4H7NO/c1-2-4(6)3-5/h5-6H,2H2,1H3",83.32376,20.13539,
3727,[C:1]([C:2]([C@@:3]([O:4][H:13])([C:5]#[N:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([N:6]=[C:5]=[C:3]([O:4][H:13])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-2-4(6)3-5/h4,6H,2H2,1H3/t4-/m1/s1","InChI=1S/C4H7NO/c1-2-5-3-4-6/h4,6H,2H2,1H3",75.62761,29.062070000000002,
3728,[C:1]([C:2]([C@@:3]([O:4][H:13])([C:5]#[N:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C@:2]([C:3](=[O:4])[H:12])([C:5]#[N:6])[H:10])([H:7])([H:8])[H:9].[H:11][H:13],"InChI=1S/C4H7NO/c1-2-4(6)3-5/h4,6H,2H2,1H3/t4-/m1/s1","InChI=1S/C4H5NO.H2/c1-4(2-5)3-6;/h3-4H,1H3;1H/t4-;/m0./s1",84.84529,20.3937,
3729,[C:1]([C:2]([C@@:3]([O:4][H:13])([C:5]#[N:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C@@:3]([C:2]([O:4][H:13])([H:10])[H:11])([C:5]#[N:6])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-2-4(6)3-5/h4,6H,2H2,1H3/t4-/m1/s1","InChI=1S/C4H7NO/c1-4(2-5)3-6/h4,6H,3H2,1H3/t4-/m1/s1",93.20795,0.058589999999999996,
3730,[C:1]([C:2]([C@@:3]([O:4][H:13])([C:5]#[N:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C@@:3]([O:4][H:13])([N+:6]#[C-:5])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-2-4(6)3-5/h4,6H,2H2,1H3/t4-/m1/s1","InChI=1S/C4H7NO/c1-3-4(6)5-2/h4,6H,3H2,1H3/t4-/m1/s1",49.39588,21.14483,
3731,[C:1]([C:2]([C@@:3]([O:4][H:13])([C:5]#[N:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C@@:3]1([H:12])[C:5]([O:4][H:13])=[N:6]1)([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-2-4(6)3-5/h4,6H,2H2,1H3/t4-/m1/s1","InChI=1S/C4H7NO/c1-2-3-4(6)5-3/h3H,2H2,1H3,(H,5,6)/t3-/m0/s1",71.46092,26.32351,
3732,[C:1]([C:2]([C@@:3]([O:4][H:13])([C:5]#[N:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3](=[O:4])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9].[C:5]=[N:6][H:13],"InChI=1S/C4H7NO/c1-2-4(6)3-5/h4,6H,2H2,1H3/t4-/m1/s1","InChI=1S/C3H6O.CHN/c1-2-3-4;1-2/h3H,2H2,1H3;2H",51.74481,35.68278,
3733,[C:1]([C:2]([C@@:3]([O:4][H:13])([C:5]#[N:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C@:3]([O:4][H:13])([H:12])[C:5][N:6]1[H:7],"InChI=1S/C4H7NO/c1-2-4(6)3-5/h4,6H,2H2,1H3/t4-/m1/s1","InChI=1S/C4H7NO/c6-4-1-2-5-3-4/h4-6H,1-2H2/t4-/m1/s1",80.10377,43.25267,
3734,[C:1]([C:2]([C@@:3]([O:4][H:13])([C:5]#[N:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C+:3]=[C:5]=[N-:6])([H:10])[H:11])([H:7])([H:8])[H:9].[O:4]([H:12])[H:13],"InChI=1S/C4H7NO/c1-2-4(6)3-5/h4,6H,2H2,1H3/t4-/m1/s1","InChI=1S/C4H5N.H2O/c1-2-3-4-5;/h2H2,1H3;1H2",65.74977,75.4867,
3735,[C:1]([C:2]([C@@:3]([O:4][H:13])([C:5]#[N:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]([H:10])[H:11])([H:8])[H:9].[C:3]([O:4][H:13])(=[C:5]=[N:6][H:7])[H:12],"InChI=1S/C4H7NO/c1-2-4(6)3-5/h4,6H,2H2,1H3/t4-/m1/s1",InChI=1S/C2H3NO.C2H4/c3-1-2-4;1-2/h2-4H;1-2H2,53.9886,47.59326,Retroene
3736,[C:1]([C:2]([C@@:3]([O:4][H:13])([C:5]#[N:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3](=[O:4])[C:5]#[N:6])([H:10])[H:11])([H:7])([H:8])[H:9].[H:12][H:13],"InChI=1S/C4H7NO/c1-2-4(6)3-5/h4,6H,2H2,1H3/t4-/m1/s1","InChI=1S/C4H5NO.H2/c1-2-4(6)3-5;/h2H2,1H3;1H",82.91188000000001,18.742060000000002,
3737,[C:1]([C@@:2]([C:3]([O:4][H:13])([H:11])[H:12])([C:5]#[N:6])[H:10])([H:7])([H:8])[H:9],[C:1]([C@@:2]([C:3]([O:4][H:13])([H:11])[H:12])([N+:6]#[C-:5])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4(2-5)3-6/h4,6H,3H2,1H3/t4-/m1/s1","InChI=1S/C4H7NO/c1-4(3-6)5-2/h4,6H,3H2,1H3/t4-/m0/s1",58.965619999999994,24.80508,
3738,[C:1]([C@@:2]([C:3]([O:4][H:13])([H:11])[H:12])([C:5]#[N:6])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]([H:11])[H:12])[H:10])([H:7])([H:8])[H:9].[O:4]([N+:6]#[C-:5])[H:13],"InChI=1S/C4H7NO/c1-4(2-5)3-6/h4,6H,3H2,1H3/t4-/m1/s1","InChI=1S/C3H6.CHNO/c1-3-2;1-2-3/h3H,1H2,2H3;3H",93.73151,87.93056999999999,
3739,[C:1]([C@@:2]([C:3]([O:4][H:13])([H:11])[H:12])([C:5]#[N:6])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2]([C:5]#[N:6])([H:10])[H:11])([H:7])([H:8])[H:9].[C:3]([O:4][H:13])[H:12],"InChI=1S/C4H7NO/c1-4(2-5)3-6/h4,6H,3H2,1H3/t4-/m1/s1","InChI=1S/C3H5N.CH2O/c1-2-3-4;1-2/h2H2,1H3;1-2H",65.32477,70.94619,
3740,[C:1]([C@@:2]([C:3]([O:4][H:13])([H:11])[H:12])([C:5]#[N:6])[H:10])([H:7])([H:8])[H:9],[C:1](=[C:2]([C:5]#[N:6])[H:10])([H:7])[H:8].[C:3](=[O:4])([H:11])[H:12].[H:9][H:13],"InChI=1S/C4H7NO/c1-4(2-5)3-6/h4,6H,3H2,1H3/t4-/m1/s1","InChI=1S/C3H3N.CH2O.H2/c1-2-3-4;1-2;/h2H,1H2;1H2;1H",61.39171999999999,46.221579999999996,
3741,[C:1]([C@@:2]([C:3]([O:4][H:13])([H:11])[H:12])([C:5]#[N:6])[H:10])([H:7])([H:8])[H:9],[C:1]1([H:7])([H:8])[C:2]([C:5]#[N:6])([H:10])[C:3]1([H:11])[H:12].[O:4]([H:9])[H:13],"InChI=1S/C4H7NO/c1-4(2-5)3-6/h4,6H,3H2,1H3/t4-/m1/s1","InChI=1S/C4H5N.H2O/c5-3-4-1-2-4;/h4H,1-2H2;1H2",87.81723000000001,16.27368,
3742,[C:1]([C@@:2]([C:3]([O:4][H:13])([H:11])[H:12])([C:5]#[N:6])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:5]=[N:6][C:3]([O:4][H:13])([H:11])[H:12])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4(2-5)3-6/h4,6H,3H2,1H3/t4-/m1/s1","InChI=1S/C4H7NO/c1-2-3-5-4-6/h2,6H,4H2,1H3",61.82011,21.7584,
3743,[C:1]([C@@:2]([C:3]([O:4][H:13])([H:11])[H:12])([C:5]#[N:6])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]([H:11])[H:12])[C:5]#[N:6])([H:7])([H:8])[H:9].[O:4]([H:10])[H:13],"InChI=1S/C4H7NO/c1-4(2-5)3-6/h4,6H,3H2,1H3/t4-/m1/s1","InChI=1S/C4H5N.H2O/c1-4(2)3-5;/h1H2,2H3;1H2",53.08197,6.868510000000001,"1,3_Insertion_ROR"
3744,[C:1]([C@@:2]([C:3]([O:4][H:13])([H:11])[H:12])([C:5]#[N:6])[H:10])([H:7])([H:8])[H:9],[C:1]1([H:7])([H:8])[C:5]([C:2]([C:3]([O:4][H:13])([H:11])[H:12])([H:9])[H:10])=[N:6]1,"InChI=1S/C4H7NO/c1-4(2-5)3-6/h4,6H,3H2,1H3/t4-/m1/s1","InChI=1S/C4H7NO/c6-2-1-4-3-5-4/h6H,1-3H2",106.97077,37.5774,
3745,[N:1]([c:2]1[c:3]([H:9])[o:4][n:5][n:6]1)([H:7])[H:8],[N:1](=[C:2]1/[C:3]([H:8])([H:9])[O:4][N:5]=[N:6]1)\[H:7],"InChI=1S/C2H3N3O/c3-2-1-6-5-4-2/h1H,3H2","InChI=1S/C2H3N3O/c3-2-1-6-5-4-2/h3H,1H2/b3-2-",75.23274,11.194,
3746,[N:1]([c:2]1[c:3]([H:9])[o:4][n:5][n:6]1)([H:7])[H:8],[N-:1]([c:2]1[c:3]([H:9])[o+:4][n:5][n:6]1[H:7])[H:8],"InChI=1S/C2H3N3O/c3-2-1-6-5-4-2/h1H,3H2","InChI=1S/C2H3N3O/c3-2-1-6-5-4-2/h1,3-4H",63.552980000000005,31.12493,
3747,[N:1]([c:2]1[c:3]([H:9])[o:4][n:5][n:6]1)([H:7])[H:8],[N:1]([C:2]1=[C:3]([H:9])[N+:5]([O-:4])=[N:6]1)([H:7])[H:8],"InChI=1S/C2H3N3O/c3-2-1-6-5-4-2/h1H,3H2","InChI=1S/C2H3N3O/c3-2-1-5(6)4-2/h1H,(H2,3,4)",100.17658,52.72846,
3748,[N:1]([c:2]1[c:3]([H:9])[o:4][n:5][n:6]1)([H:7])[H:8],[N:1]([C+:2]=[C:3]([O-:4])[H:9])([H:7])[H:8].[N:5]#[N:6],"InChI=1S/C2H3N3O/c3-2-1-6-5-4-2/h1H,3H2","InChI=1S/C2H3NO.N2/c3-1-2-4;1-2/h2H,3H2;",5.737769999999999,-9.911710000000001,
3749,[N:1]([c:2]1[c:3]([H:9])[o:4][n:5][n:6]1)([H:7])[H:8],[N:1]([C:2]#[C:3][H:9])([H:7])[H:8].[O:4]=[N+:5]=[N-:6],"InChI=1S/C2H3N3O/c3-2-1-6-5-4-2/h1H,3H2","InChI=1S/C2H3N.N2O/c2*1-2-3/h1H,3H2;",58.15193000000001,38.933440000000004,
3750,[N:1]([c:2]1[c:3]([H:9])[o:4][n:5][n:6]1)([H:7])[H:8],[C:3](=[O+:4][N-:5])[H:9].[N:1]([C:2]#[N:6])([H:7])[H:8],"InChI=1S/C2H3N3O/c3-2-1-6-5-4-2/h1H,3H2",InChI=1S/CH2N2.CHNO/c2-1-3;1-3-2/h2H2;1H,118.47883999999999,117.5893,
3751,[C:1]([C:2](=[O:3])[C:4]#[C:5][H:9])([H:6])([H:7])[H:8],[C:1](=[C:2]([O:3][H:6])[C:4]#[C:5][H:9])([H:7])[H:8],"InChI=1S/C4H4O/c1-3-4(2)5/h1H,2H3","InChI=1S/C4H4O/c1-3-4(2)5/h1,5H,2H2",62.16121999999999,7.94855,ketoenol
3752,[C:1]([C:2](=[O:3])[C:4]#[C:5][H:9])([H:6])([H:7])[H:8],[C:1](=[C:2]=[O:3])([H:7])[H:8].[C:4](#[C:5][H:9])[H:6],"InChI=1S/C4H4O/c1-3-4(2)5/h1H,2H3",InChI=1S/C2H2O.C2H2/c1-2-3;1-2/h1H2;1-2H,66.9953,24.64072,
3753,[C:1]([C:2](=[O:3])[C:4]#[C:5][H:9])([H:6])([H:7])[H:8],[C:1]1([H:7])([H:8])[C:2](=[C:4]=[C:5]([H:6])[H:9])[O:3]1,"InChI=1S/C4H4O/c1-3-4(2)5/h1H,2H3","InChI=1S/C4H4O/c1-2-4-3-5-4/h1,3H2",79.35193000000001,29.38615,
3754,[C:1]([C:2](=[O:3])[C:4]#[C:5][H:9])([H:6])([H:7])[H:8],[C:1]([C-:2]=[O+:3][C:4]#[C:5][H:9])([H:6])([H:7])[H:8],"InChI=1S/C4H4O/c1-3-4(2)5/h1H,2H3","InChI=1S/C4H4O/c1-3-5-4-2/h1H,2H3",95.73382,80.03785,
3755,[C:1]([C:2](=[O:3])[C:4]#[C:5][H:9])([H:6])([H:7])[H:8],[C:1]([C:5](=[C:4]=[C:2]=[O:3])[H:9])([H:6])([H:7])[H:8],"InChI=1S/C4H4O/c1-3-4(2)5/h1H,2H3","InChI=1S/C4H4O/c1-2-3-4-5/h2H,1H3",87.09613,-7.177060000000001,
3756,[C:1]([C:2](=[O:3])[C:4]#[C:5][H:9])([H:6])([H:7])[H:8],[C:1]([C:2]#[C:4][C:5](=[O:3])[H:9])([H:6])([H:7])[H:8],"InChI=1S/C4H4O/c1-3-4(2)5/h1H,2H3","InChI=1S/C4H4O/c1-2-3-4-5/h4H,1H3",70.34961,-0.7003,
3757,[C:1]([C:2](=[O:3])[C:4]#[C:5][H:9])([H:6])([H:7])[H:8],[C:1]([C:2](=[O:3])[C:4](=[C:5])[H:9])([H:6])([H:7])[H:8],"InChI=1S/C4H4O/c1-3-4(2)5/h1H,2H3","InChI=1S/C4H4O/c1-3-4(2)5/h3H,2H3",41.87955,45.09894,Singlet_Carbene_Intra_Disproportionation
3758,[C:1]([C:2](=[O:3])[C:4](=[O:5])[C:6]([H:10])([H:11])[H:12])([H:7])([H:8])[H:9],[C-:2]#[O+:3].[C-:4]#[O+:5].[C:1]([C:6]([H:10])([H:11])[H:12])([H:7])([H:8])[H:9],InChI=1S/C4H6O2/c1-3(5)4(2)6/h1-2H3,InChI=1S/C2H6.2CO/c3*1-2/h1-2H3;;,106.75565,6.40785,
3759,[C:1]([C:2](=[O:3])[C:4](=[O:5])[C:6]([H:10])([H:11])[H:12])([H:7])([H:8])[H:9],[C:1]([C:2](=[O:3])[O+:5]=[C-:4][C:6]([H:10])([H:11])[H:12])([H:7])([H:8])[H:9],InChI=1S/C4H6O2/c1-3(5)4(2)6/h1-2H3,InChI=1S/C4H6O2/c1-3-6-4(2)5/h1-2H3,58.8208,57.829730000000005,
3760,[C:1]([C:2](=[O:3])[C:4](=[O:5])[C:6]([H:10])([H:11])[H:12])([H:7])([H:8])[H:9],[C:1]([C:2](=[O:3])[H:11])([H:7])([H:8])[H:9].[C:4](=[O:5])=[C:6]([H:10])[H:12],InChI=1S/C4H6O2/c1-3(5)4(2)6/h1-2H3,"InChI=1S/C2H4O.C2H2O/c2*1-2-3/h2H,1H3;1H2",70.23071999999999,25.23259,
3761,[C:1]([C:2](=[O:3])[C:4](=[O:5])[C:6]([H:10])([H:11])[H:12])([H:7])([H:8])[H:9],[C:1]([C+:2]([O:3][H:11])[C:4]([O-:5])=[C:6]([H:10])[H:12])([H:7])([H:8])[H:9],InChI=1S/C4H6O2/c1-3(5)4(2)6/h1-2H3,"InChI=1S/C4H6O2/c1-3(5)4(2)6/h6H,1H2,2H3",49.032379999999996,42.85297,
3762,[C:1]([C:2](=[O:3])[C:4](=[O:5])[C:6]([H:10])([H:11])[H:12])([H:7])([H:8])[H:9],[C:1]([C:2](=[O:3])[C:6]([C:4](=[O:5])[H:11])([H:10])[H:12])([H:7])([H:8])[H:9],InChI=1S/C4H6O2/c1-3(5)4(2)6/h1-2H3,"InChI=1S/C4H6O2/c1-4(6)2-3-5/h3H,2H2,1H3",70.2688,4.7912,
3763,[C:1]([C:2](=[O:3])[C:4](=[O:5])[C:6]([H:10])([H:11])[H:12])([H:7])([H:8])[H:9],[C:1]([O:5][C:4](=[C:2]=[O:3])[C:6]([H:10])([H:11])[H:12])([H:7])([H:8])[H:9],InChI=1S/C4H6O2/c1-3(5)4(2)6/h1-2H3,InChI=1S/C4H6O2/c1-4(3-5)6-2/h1-2H3,83.43398,35.60518,ketoenol
3764,[C:1]([C:2](=[O:3])[C:4](=[O:5])[C:6]([H:10])([H:11])[H:12])([H:7])([H:8])[H:9],[C:1]([C:2](=[O:3])[O:5][C:4](=[C:6]([H:10])[H:12])[H:11])([H:7])([H:8])[H:9],InChI=1S/C4H6O2/c1-3(5)4(2)6/h1-2H3,"InChI=1S/C4H6O2/c1-3-6-4(2)5/h3H,1H2,2H3",70.2319,2.9130599999999998,
3765,[C:1]([C:2](=[O:3])[C:4](=[O:5])[C:6]([H:10])([H:11])[H:12])([H:7])([H:8])[H:9],[C:1]([C:2](=[O:3])[C:4]([O:5][H:11])=[C:6]([H:10])[H:12])([H:7])([H:8])[H:9],InChI=1S/C4H6O2/c1-3(5)4(2)6/h1-2H3,"InChI=1S/C4H6O2/c1-3(5)4(2)6/h5H,1H2,2H3",63.86193000000001,6.12142,ketoenol
3766,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@@:4]2([H:13])[C:5]([H:14])([H:15])[C@@:6]12[H:16])([H:7])([H:8])[H:9],[C:1]([C:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])=[C:6]([H:16])[C:5]1([H:14])[H:15])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-4-2-5-3-6(4)5/h4-6H,2-3H2,1H3/t4-,5-,6-/m0/s1","InChI=1S/C6H10/c1-6-4-2-3-5-6/h2-3,6H,4-5H2,1H3",113.98305,-28.098129999999998,
3767,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@@:4]2([H:13])[C:5]([H:14])([H:15])[C@@:6]12[H:16])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:15])[C@:6]1([C:5][H:14])[H:16])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-4-2-5-3-6(4)5/h4-6H,2-3H2,1H3/t4-,5-,6-/m0/s1","InChI=1S/C6H10/c1-5-3-4-6(5)2/h1,5-6H,3-4H2,2H3/t5-,6+/m1/s1",64.9165,68.49902,
3768,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@@:4]2([H:13])[C:5]([H:14])([H:15])[C@@:6]12[H:16])([H:7])([H:8])[H:9],[C:1]([C@:2]1([H:10])[C:3]([H:11])([H:12])[C@@:4]([C:5][H:15])([H:13])[C:6]1([H:14])[H:16])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-4-2-5-3-6(4)5/h4-6H,2-3H2,1H3/t4-,5-,6-/m0/s1","InChI=1S/C6H10/c1-5-3-6(2)4-5/h1,5-6H,3-4H2,2H3/t5-,6+",63.996390000000005,67.83799,
3769,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@@:4]2([H:13])[C:5]([H:14])([H:15])[C@@:6]12[H:16])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:6]1([C:5]([C:4][H:13])([H:14])[H:15])[H:16])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-4-2-5-3-6(4)5/h4-6H,2-3H2,1H3/t4-,5-,6-/m0/s1","InChI=1S/C6H10/c1-3-6-4-5(6)2/h1,5-6H,3-4H2,2H3/t5-,6+/m0/s1",70.9314,76.6032,
3770,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@@:4]2([H:13])[C:5]([H:14])([H:15])[C@@:6]12[H:16])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:16])[C:5]([H:14])([H:15])[C:6]1)([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-4-2-5-3-6(4)5/h4-6H,2-3H2,1H3/t4-,5-,6-/m0/s1","InChI=1S/C6H10/c1-6-4-2-3-5-6/h6H,2-4H2,1H3/t6-/m0/s1",60.71402,42.87378,
3771,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@@:4]2([H:13])[C:5]([H:14])([H:15])[C@@:6]12[H:16])([H:7])([H:8])[H:9],[C:1]([C:2][C:3]([C:4]1([H:13])[C:5]([H:14])([H:15])[C:6]1([H:10])[H:16])([H:11])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-4-2-5-3-6(4)5/h4-6H,2-3H2,1H3/t4-,5-,6-/m0/s1","InChI=1S/C6H10/c1-2-3-6-4-5-6/h6H,3-5H2,1H3",74.97691,65.93096,
3772,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@@:4]2([H:13])[C:5]([H:14])([H:15])[C@@:6]12[H:16])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C@@:6]1([H:16])[C:4][C:5]1([H:14])[H:15])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-4-2-5-3-6(4)5/h4-6H,2-3H2,1H3/t4-,5-,6-/m0/s1","InChI=1S/C6H10/c1-5(2)6-3-4-6/h5-6H,3H2,1-2H3/t6-/m1/s1",69.43043,67.66058000000001,
3773,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@@:4]2([H:13])[C:5]([H:14])([H:15])[C@@:6]12[H:16])([H:7])([H:8])[H:9],[C:1]([C:2]([C@@:6]1([H:16])[C@:4]([C:3][H:11])([H:13])[C:5]1([H:14])[H:15])([H:10])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-4-2-5-3-6(4)5/h4-6H,2-3H2,1H3/t4-,5-,6-/m0/s1","InChI=1S/C6H10/c1-3-6-4-5(6)2/h2,5-6H,3-4H2,1H3/t5-,6+/m0/s1",74.34241,64.17484,
3774,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@@:4]2([H:13])[C:5]([H:14])([H:15])[C@@:6]12[H:16])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4][C:5]([H:14])([H:15])[C:6]1([H:13])[H:16])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-4-2-5-3-6(4)5/h4-6H,2-3H2,1H3/t4-,5-,6-/m0/s1","InChI=1S/C6H10/c1-6-4-2-3-5-6/h6H,2,4-5H2,1H3/t6-/m1/s1",59.70214,43.34343,
3775,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@@:4]2([H:13])[C:5]([H:14])([H:15])[C@@:6]12[H:16])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C@@:3]2([H:11])[C@:4]([C:5]([H:12])([H:14])[H:15])([H:13])[C@:6]12[H:16])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-4-2-5-3-6(4)5/h4-6H,2-3H2,1H3/t4-,5-,6-/m0/s1","InChI=1S/C6H10/c1-3-5-4(2)6(3)5/h3-6H,1-2H3/t3-,4+,5-,6-",95.27786,65.224,
3776,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@@:4]2([H:13])[C:5]([H:14])([H:15])[C@@:6]12[H:16])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]([C:5]([H:14])([H:15])[H:16])([H:13])[C:6]1)([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-4-2-5-3-6(4)5/h4-6H,2-3H2,1H3/t4-,5-,6-/m0/s1","InChI=1S/C6H10/c1-5-3-6(2)4-5/h5-6H,3H2,1-2H3/t5-,6+",64.78038000000001,57.657469999999996,
3777,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@@:4]2([H:13])[C:5]([H:14])([H:15])[C@@:6]12[H:16])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4][C@:6]1([C:5]([H:13])([H:14])[H:15])[H:16])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-4-2-5-3-6(4)5/h4-6H,2-3H2,1H3/t4-,5-,6-/m0/s1","InChI=1S/C6H10/c1-5-3-4-6(5)2/h5-6H,3H2,1-2H3/t5-,6+/m0/s1",64.89924,66.84339,
3778,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@@:4]2([H:13])[C:5]([H:14])([H:15])[C@@:6]12[H:16])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3](=[C:4]([H:11])[H:13])[H:12])([C:6](=[C:5]([H:14])[H:15])[H:16])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-4-2-5-3-6(4)5/h4-6H,2-3H2,1H3/t4-,5-,6-/m0/s1","InChI=1S/C6H10/c1-4-6(3)5-2/h4-6H,1-2H2,3H3",91.2235,-12.04016,
3779,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@@:4]2([H:13])[C:5]([H:14])([H:15])[C@@:6]12[H:16])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])=[C:6]1[H:16])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-4-2-5-3-6(4)5/h4-6H,2-3H2,1H3/t4-,5-,6-/m0/s1","InChI=1S/C6H10/c1-6-4-2-3-5-6/h2,4,6H,3,5H2,1H3/t6-/m1/s1",64.38996,-28.04546,
3780,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@@:4]2([H:13])[C:5]([H:14])([H:15])[C@@:6]12[H:16])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C:6]1)([H:11])[H:12])([H:10])[H:16])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-4-2-5-3-6(4)5/h4-6H,2-3H2,1H3/t4-,5-,6-/m0/s1","InChI=1S/C6H10/c1-2-3-6-4-5-6/h6H,2-4H2,1H3/t6-/m0/s1",68.4826,70.91428,
3781,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@@:4]2([H:13])[C:5]([H:14])([H:15])[C@@:6]12[H:16])([H:7])([H:8])[H:9],[C:1]([C:3]([C@@:2]1([H:10])[C@@:4]2([H:13])[C:5]([H:14])([H:15])[C@@:6]12[H:16])([H:11])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-4-2-5-3-6(4)5/h4-6H,2-3H2,1H3/t4-,5-,6-/m0/s1","InChI=1S/C6H10/c1-2-4-5-3-6(4)5/h4-6H,2-3H2,1H3/t4-,5+,6-",102.31996,10.23344,
3782,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@@:4]2([H:13])[C:5]([H:14])([H:15])[C@@:6]12[H:16])([H:7])([H:8])[H:9],[C:1](=[C:2]([C:6]12[C:3]([H:11])([H:12])[C:4]1([H:13])[C:5]2([H:14])[H:15])[H:10])([H:7])[H:8].[H:9][H:16],"InChI=1S/C6H10/c1-4-2-5-3-6(4)5/h4-6H,2-3H2,1H3/t4-,5-,6-/m0/s1","InChI=1S/C6H8.H2/c1-2-6-3-5(6)4-6;/h2,5H,1,3-4H2;1H",96.66264,35.14629,
3783,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@@:4]2([H:13])[C:5]([H:14])([H:15])[C@@:6]12[H:16])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([C:4](=[C:5]([H:14])[H:15])[H:13])([H:11])[H:12])=[C:6]([H:10])[H:16])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-4-2-5-3-6(4)5/h4-6H,2-3H2,1H3/t4-,5-,6-/m0/s1","InChI=1S/C6H10/c1-4-5-6(2)3/h4H,1-2,5H2,3H3",86.84016,-15.424120000000002,
3784,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@@:4]2([H:13])[C:5]([H:14])([H:15])[C@@:6]12[H:16])([H:7])([H:8])[H:9],[C:1](/[C:2](=[C:6](/[C:5]([C:4](=[C:3]([H:11])[H:12])[H:13])([H:14])[H:15])[H:16])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-4-2-5-3-6(4)5/h4-6H,2-3H2,1H3/t4-,5-,6-/m0/s1","InChI=1S/C6H10/c1-3-5-6-4-2/h3-4,6H,1,5H2,2H3/b6-4+",47.53633,-14.07921,
3785,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@@:4]2([H:13])[C:5]([H:14])([H:15])[C@@:6]12[H:16])([H:7])([H:8])[H:9],[C:1]([C:2][C@@:6]1([H:16])[C@:4]([C:3]([H:10])([H:11])[H:12])([H:13])[C:5]1([H:14])[H:15])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-4-2-5-3-6(4)5/h4-6H,2-3H2,1H3/t4-,5-,6-/m0/s1","InChI=1S/C6H10/c1-3-6-4-5(6)2/h5-6H,4H2,1-2H3/t5-,6+/m0/s1",70.04123,60.74306,
3786,[C:1]([N:2]1[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]1=[O:6])([H:7])([H:8])[H:9],[C:1]([N:2]([C:5]([C:4]([C:3][H:11])([H:12])[H:13])=[O:6])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-5-3-2-4(5)6/h2-3H2,1H3","InChI=1S/C4H7NO/c1-3-4(6)5-2/h1H,3H2,2H3,(H,5,6)",73.2118,74.53011,
3787,[C:1]([N:2]1[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]1=[O:6])([H:7])([H:8])[H:9],[C:1]([N:2]=[C:3]([H:10])[H:11])([H:7])([H:8])[H:9].[C:4](=[C:5]=[O:6])([H:12])[H:13],"InChI=1S/C4H7NO/c1-5-3-2-4(5)6/h2-3H2,1H3","InChI=1S/C2H5N.C2H2O/c1-3-2;1-2-3/h1H2,2H3;1H2",46.18103,31.7291,
3788,[C:1]([N:2]1[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]1=[O:6])([H:7])([H:8])[H:9],[C:1](=[N+:2]([C:3]([H:7])([H:10])[H:11])[C:5](=[C:4]([H:12])[H:13])[O-:6])([H:8])[H:9],"InChI=1S/C4H7NO/c1-5-3-2-4(5)6/h2-3H2,1H3","InChI=1S/C4H7NO/c1-4(6)5(2)3/h1-2H2,3H3",99.79019,33.303340000000006,
3789,[C:1]([N:2]1[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]1=[O:6])([H:7])([H:8])[H:9],[C:1]([O:6][C:5]1=[N:2][C:3]([H:10])([H:11])[C:4]1([H:12])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-5-3-2-4(5)6/h2-3H2,1H3","InChI=1S/C4H7NO/c1-6-4-2-3-5-4/h2-3H2,1H3",72.2838,25.41011,ketoenol
3790,[C:1]([N:2]1[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]1=[O:6])([H:7])([H:8])[H:9],[C:1]([N:2]1[C:3]([H:10])([H:11])[C@@:4]1([C:5](=[O:6])[H:12])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-5-3-2-4(5)6/h2-3H2,1H3","InChI=1S/C4H7NO/c1-5-2-4(5)3-6/h3-4H,2H2,1H3/t4-,5?/m1/s1",90.00185,31.85231,
3791,[C:1]([N:2]1[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]1=[O:6])([H:7])([H:8])[H:9],[C:1]([N:2]([C:3]([C:4](=[C:5]=[O:6])[H:12])([H:10])[H:11])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-5-3-2-4(5)6/h2-3H2,1H3","InChI=1S/C4H7NO/c1-5-3-2-4-6/h2,5H,3H2,1H3",76.95778,18.853270000000002,
3792,[C:1]([N:2]1[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]1=[O:6])([H:7])([H:8])[H:9],[C-:1]([N:2]([C:3]([C:4]([C:5]#[O+:6])([H:12])[H:13])([H:10])[H:11])[H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-5-3-2-4(5)6/h2-3H2,1H3","InChI=1S/C4H7NO/c1-5-3-2-4-6/h5H,1-3H2",92.76559,61.63207,
3793,[C:1]([N:2]1[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]1=[O:6])([H:7])([H:8])[H:9],[C-:1]([N+:2]1([H:7])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]1=[O:6])([H:8])[H:9],"InChI=1S/C4H7NO/c1-5-3-2-4(5)6/h2-3H2,1H3","InChI=1S/C4H7NO/c1-5-3-2-4(5)6/h5H,1-3H2",92.76505,75.25224,
3794,[C:1]([N:2]1[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]1=[O:6])([H:7])([H:8])[H:9],[C-:1]([N+:2]1=[C:5]([O:6][H:7])[C:4]([H:12])([H:13])[C:3]1([H:10])[H:11])([H:8])[H:9],"InChI=1S/C4H7NO/c1-5-3-2-4(5)6/h2-3H2,1H3","InChI=1S/C4H7NO/c1-5-3-2-4(5)6/h6H,1-3H2",65.45267,57.621390000000005,
3795,[C:1]([N:2]1[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]1=[O:6])([H:7])([H:8])[H:9],[C:1](=[N:2][C:3]([C:4]([C:5](=[O:6])[H:7])([H:12])[H:13])([H:10])[H:11])([H:8])[H:9],"InChI=1S/C4H7NO/c1-5-3-2-4(5)6/h2-3H2,1H3","InChI=1S/C4H7NO/c1-5-3-2-4-6/h4H,1-3H2",72.30202,17.06589,
3796,[C:1]([N:2]1[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]1=[O:6])([H:7])([H:8])[H:9],[C:1](/[N:2]=[C:3](/[C:4]([C:5](=[O:6])[H:11])([H:12])[H:13])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-5-3-2-4(5)6/h2-3H2,1H3","InChI=1S/C4H7NO/c1-5-3-2-4-6/h3-4H,2H2,1H3/b5-3+",78.51654,13.12496,
3797,[C:1]([N:2]1[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]1=[O:6])([H:7])([H:8])[H:9],[C:1]([N+:2]1=[C:5]([O:6][H:11])[C:4]([H:12])([H:13])[C-:3]1[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-5-3-2-4(5)6/h2-3H2,1H3","InChI=1S/C4H7NO/c1-5-3-2-4(5)6/h3,6H,2H2,1H3",104.32998,66.91632,
3798,[C:1]([N:2]1[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]1=[O:6])([H:7])([H:8])[H:9],[C-:5]#[O+:6].[C:1](/[N:2]=[C:3](/[C:4]([H:11])([H:12])[H:13])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-5-3-2-4(5)6/h2-3H2,1H3","InChI=1S/C3H7N.CO/c1-3-4-2;1-2/h3H,1-2H3;/b4-3+;",82.66813,9.34275,
3799,[C:1]([N:2]1[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]1=[O:6])([H:7])([H:8])[H:9],[C:1]([N:2]1[C:3]([H:10])([H:11])[C:4]([H:13])=[C:5]1[O:6][H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-5-3-2-4(5)6/h2-3H2,1H3","InChI=1S/C4H7NO/c1-5-3-2-4(5)6/h2,6H,3H2,1H3",83.64939,33.631640000000004,ketoenol
3800,[C:1]([N:2]1[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]1=[O:6])([H:7])([H:8])[H:9],[C:1]([N:2]([C:3]([H:10])([H:11])[H:12])[C:5](=[C+:4][H:13])[O-:6])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-5-3-2-4(5)6/h2-3H2,1H3","InChI=1S/C4H7NO/c1-4(6)5(2)3/h1H,2-3H3",74.43213,71.66731,
3801,[C:1]([N:2]1[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]1=[O:6])([H:7])([H:8])[H:9],[C:1]([N+:2]([C-:3]([H:10])[H:11])=[C:5]1[C:4]([H:12])([H:13])[O:6]1)([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-5-3-2-4(5)6/h2-3H2,1H3","InChI=1S/C4H7NO/c1-5(2)4-3-6-4/h1,3H2,2H3",91.76096,83.60043,
3802,[C:1]([N:2]1[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]1=[O:6])([H:7])([H:8])[H:9],[C:1]([N:2]=[C:5]=[O:6])([H:7])([H:8])[H:9].[C:3](=[C:4]([H:12])[H:13])([H:10])[H:11],"InChI=1S/C4H7NO/c1-5-3-2-4(5)6/h2-3H2,1H3",InChI=1S/C2H3NO.C2H4/c1-3-2-4;1-2/h1H3;1-2H2,46.171209999999995,10.52203,
3803,[C:1]([N:2]1[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]1=[O:6])([H:7])([H:8])[H:9],[C:1]([N:2]1[C:3]([H:10])=[C:4]([H:13])[C:5]1=[O:6])([H:7])([H:8])[H:9].[H:11][H:12],"InChI=1S/C4H7NO/c1-5-3-2-4(5)6/h2-3H2,1H3","InChI=1S/C4H5NO.H2/c1-5-3-2-4(5)6;/h2-3H,1H3;1H",95.55275999999999,48.32407,
3804,[C:1]([N:2]1[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]1=[O:6])([H:7])([H:8])[H:9],[C-:1]([N+:2]1=[C:3]([H:10])[C:4]([H:12])([H:13])[C:5]1=[O:6])([H:8])[H:9].[H:7][H:11],"InChI=1S/C4H7NO/c1-5-3-2-4(5)6/h2-3H2,1H3","InChI=1S/C4H5NO.H2/c1-5-3-2-4(5)6;/h3H,1-2H2;1H",70.93764,68.06426,
3805,[C:1]([C:2]1=[N:3][C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[O:6]1)([H:7])([H:8])[H:9],[C:1](=[C:2]=[N:3][C:4]([C:5](=[O:6])[H:13])([H:10])[H:11])([H:7])[H:9].[H:8][H:12],"InChI=1S/C4H7NO/c1-4-5-2-3-6-4/h2-3H2,1H3","InChI=1S/C4H5NO.H2/c1-2-5-3-4-6;/h4H,1,3H2;1H",91.49347,47.42217,
3806,[C:1]([C:2]1=[N:3][C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[O:6]1)([H:7])([H:8])[H:9],[C:1](=[C:2]1[N:3]=[C:4]([H:10])[C:5]([H:12])([H:13])[O:6]1)([H:7])[H:9].[H:8][H:11],"InChI=1S/C4H7NO/c1-4-5-2-3-6-4/h2-3H2,1H3","InChI=1S/C4H5NO.H2/c1-4-5-2-3-6-4;/h2H,1,3H2;1H",76.97686,33.01879,
3807,[C:1]([C:2]1=[N:3][C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]1=[O+:6][C:5]([H:12])([H:13])[C-:4]([H:10])[N:3]1[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4-5-2-3-6-4/h2-3H2,1H3","InChI=1S/C4H7NO/c1-4-5-2-3-6-4/h2,5H,3H2,1H3",75.66982,51.17934,
3808,[C:1]([C:2]1=[N:3][C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]1=[O+:6][C-:5]([H:12])[C:4]([H:10])([H:11])[N:3]1[H:13])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4-5-2-3-6-4/h2-3H2,1H3","InChI=1S/C4H7NO/c1-4-5-2-3-6-4/h3,5H,2H2,1H3",75.953,62.20615,
3809,[C:1]([C:2]1=[N:3][C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[O:6]1)([H:7])([H:8])[H:9],[C:1]([N:3]=[C:2]=[O:6])([H:7])([H:8])[H:9].[C:4](=[C:5]([H:12])[H:13])([H:10])[H:11],"InChI=1S/C4H7NO/c1-4-5-2-3-6-4/h2-3H2,1H3",InChI=1S/C2H3NO.C2H4/c1-3-2-4;1-2/h1H3;1-2H2,64.71955,12.29279,
3810,[C:1]([C:2]1=[N:3][C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C-:2]=[N+:3]=[C:4]([C:5]([O:6][H:10])([H:12])[H:13])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4-5-2-3-6-4/h2-3H2,1H3","InChI=1S/C4H7NO/c1-2-5-3-4-6/h3,6H,4H2,1H3",83.68132,46.28615,
3811,[C:1]([C:2]1=[N:3][C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C:2](/[N:3]=[C:4](\[C:5]([H:10])([H:12])[H:13])[H:11])=[O:6])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4-5-2-3-6-4/h2-3H2,1H3","InChI=1S/C4H7NO/c1-3-5-4(2)6/h3H,1-2H3/b5-3-",56.26469,-2.83868,
3812,[C:1]([C:2]1=[N:3][C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[O:6]1)([H:7])([H:8])[H:9],[C:1](/[C:2](=[N:3]/[C:4]([H:10])([H:11])[H:12])[O+:6]=[C-:5][H:13])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4-5-2-3-6-4/h2-3H2,1H3","InChI=1S/C4H7NO/c1-4(5-2)6-3/h3H,1-2H3/b5-4-",75.06584000000001,75.82155,
3813,[C:1]([C:2]1=[N:3][C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C-:2]=[N+:3]=[C:4]([H:10])[H:11])([H:7])([H:8])[H:9].[C:5](=[O:6])([H:12])[H:13],"InChI=1S/C4H7NO/c1-4-5-2-3-6-4/h2-3H2,1H3","InChI=1S/C3H5N.CH2O/c1-3-4-2;1-2/h2H2,1H3;1H2",56.67135,63.609019999999994,
3814,[C:1]([C:2]1=[N:3][C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[O:6]1)([H:7])([H:8])[H:9],[C:1](=[C:2]1[N:3]([H:8])[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[O:6]1)([H:7])[H:9],"InChI=1S/C4H7NO/c1-4-5-2-3-6-4/h2-3H2,1H3","InChI=1S/C4H7NO/c1-4-5-2-3-6-4/h5H,1-3H2",68.48231,16.035339999999998,
3815,[C:1]([C:2]1=[N:3][C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[N:3]=[C:4]([H:11])[C:5]([H:12])([H:13])[O:6]1)([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4-5-2-3-6-4/h2-3H2,1H3","InChI=1S/C4H7NO/c1-4-5-2-3-6-4/h2,4H,3H2,1H3/t4-/m0/s1",102.27514000000001,10.15294,
3816,[C:1]([C:2]1=[N:3][C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]1=[N:3][C:4]1([H:10])[H:11])([H:7])([H:8])[H:9].[C:5](=[O:6])([H:12])[H:13],"InChI=1S/C4H7NO/c1-4-5-2-3-6-4/h2-3H2,1H3","InChI=1S/C3H5N.CH2O/c1-3-2-4-3;1-2/h2H2,1H3;1H2",95.75649,55.18294,
3817,[C:1]([C:2]1=[N:3][C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]([N:3]=[C:4]([H:10])[H:11])=[O+:6][C-:5]([H:12])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4-5-2-3-6-4/h2-3H2,1H3","InChI=1S/C4H7NO/c1-4(5-2)6-3/h2-3H2,1H3",81.39151,60.682869999999994,
3818,[C:1]([C:2]1=[N:3][C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]([N:3]1[C:4]([H:10])([H:11])[C:5]1([H:12])[H:13])=[O:6])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4-5-2-3-6-4/h2-3H2,1H3","InChI=1S/C4H7NO/c1-4(6)5-2-3-5/h2-3H2,1H3",49.656079999999996,15.584679999999999,ketoenol
3819,[C:1]([C:2]1=[N:3][C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]#[N:3])([H:7])([H:8])[H:9].[C:4]([C:5](=[O:6])[H:12])([H:10])([H:11])[H:13],"InChI=1S/C4H7NO/c1-4-5-2-3-6-4/h2-3H2,1H3","InChI=1S/C2H3N.C2H4O/c2*1-2-3/h1H3;2H,1H3",68.31094,9.24045,
3820,[C:1]([C:2]1=[N:3][C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]1=[N:3][C:4]([H:10])([H:11])[C-:5]=[O+:6]1)([H:7])([H:8])[H:9].[H:12][H:13],"InChI=1S/C4H7NO/c1-4-5-2-3-6-4/h2-3H2,1H3","InChI=1S/C4H5NO.H2/c1-4-5-2-3-6-4;/h2H2,1H3;1H",78.30713,68.62335,
3821,[C:1]([C:2]1=[N:3][C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]#[N:3])([H:7])([H:8])[H:9].[C:4](=[C:5]([O:6][H:12])[H:13])([H:10])[H:11],"InChI=1S/C4H7NO/c1-4-5-2-3-6-4/h2-3H2,1H3","InChI=1S/C2H3N.C2H4O/c2*1-2-3/h1H3;2-3H,1H2",94.47157,18.51109,
3822,[C:1]([C:2]1=[N:3][C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]1=[N+:3]=[C-:4][C:5]([H:12])([H:13])[O:6]1)([H:7])([H:8])[H:9].[H:10][H:11],"InChI=1S/C4H7NO/c1-4-5-2-3-6-4/h2-3H2,1H3","InChI=1S/C4H5NO.H2/c1-4-5-2-3-6-4;/h3H2,1H3;1H",79.85434000000001,77.15847,
3823,[C:1]([N:2]1[C:3]([H:10])([H:11])[C:4]1([C:5]([H:12])([H:13])[H:14])[C:6]([H:15])([H:16])[H:17])([H:7])([H:8])[H:9],[C:1](=[N:2][H:8])([H:7])[H:9].[C:3](=[C:4]([C:5]([H:12])([H:13])[H:14])[C:6]([H:15])([H:16])[H:17])([H:10])[H:11],"InChI=1S/C5H11N/c1-5(2)4-6(5)3/h4H2,1-3H3","InChI=1S/C4H8.CH3N/c1-4(2)3;1-2/h1H2,2-3H3;2H,1H2",79.98512,0.38635,
3824,[C:1]([N:2]1[C:3]([H:10])([H:11])[C:4]1([C:5]([H:12])([H:13])[H:14])[C:6]([H:15])([H:16])[H:17])([H:7])([H:8])[H:9],[C:1]([N+:2]1([H:10])[C-:3]([H:11])[C:4]1([C:5]([H:12])([H:13])[H:14])[C:6]([H:15])([H:16])[H:17])([H:7])([H:8])[H:9],"InChI=1S/C5H11N/c1-5(2)4-6(5)3/h4H2,1-3H3","InChI=1S/C5H11N/c1-5(2)4-6(5)3/h4,6H,1-3H3",63.23415,52.511590000000005,
3825,[C:1]([N:2]1[C:3]([H:10])([H:11])[C:4]1([C:5]([H:12])([H:13])[H:14])[C:6]([H:15])([H:16])[H:17])([H:7])([H:8])[H:9],[C-:1]([N+:2]1=[C:4]([C:6]([H:15])([H:16])[H:17])[C:3]1([H:10])[H:11])([H:7])[H:9].[C:5]([H:8])([H:12])([H:13])[H:14],"InChI=1S/C5H11N/c1-5(2)4-6(5)3/h4H2,1-3H3","InChI=1S/C4H7N.CH4/c1-4-3-5(4)2;/h2-3H2,1H3;1H4",78.42635,50.90198,
3826,[C:1]([N:2]1[C:3]([H:10])([H:11])[C:4]1([C:5]([H:12])([H:13])[H:14])[C:6]([H:15])([H:16])[H:17])([H:7])([H:8])[H:9],[C:1]([N+:2]([C-:3]([H:10])[H:11])=[C:4]([C:5]([H:12])([H:13])[H:14])[C:6]([H:15])([H:16])[H:17])([H:7])([H:8])[H:9],"InChI=1S/C5H11N/c1-5(2)4-6(5)3/h4H2,1-3H3","InChI=1S/C5H11N/c1-5(2)6(3)4/h3H2,1-2,4H3",36.60605,19.11806,
3827,[C:1]([N:2]1[C:3]([H:10])([H:11])[C:4]1([C:5]([H:12])([H:13])[H:14])[C:6]([H:15])([H:16])[H:17])([H:7])([H:8])[H:9],[C:1]([C:4]([N:2]=[C:3]([H:10])[H:11])([C:5]([H:12])([H:13])[H:14])[C:6]([H:15])([H:16])[H:17])([H:7])([H:8])[H:9],"InChI=1S/C5H11N/c1-5(2)4-6(5)3/h4H2,1-3H3","InChI=1S/C5H11N/c1-5(2,3)6-4/h4H2,1-3H3",87.47073,-16.45032,
3828,[C:1]([N:2]1[C:3]([H:10])([H:11])[C:4]1([C:5]([H:12])([H:13])[H:14])[C:6]([H:15])([H:16])[H:17])([H:7])([H:8])[H:9],[C:1]([N:2]1[C:3]([H:11])=[C:4]1[C:5]([H:12])([H:13])[H:14])([H:7])([H:8])[H:9].[C:6]([H:10])([H:15])([H:16])[H:17],"InChI=1S/C5H11N/c1-5(2)4-6(5)3/h4H2,1-3H3","InChI=1S/C4H7N.CH4/c1-4-3-5(4)2;/h3H,1-2H3;1H4",96.47916,52.08511,
3829,[C:1]([N:2]1[C:3]([H:10])([H:11])[C:4]1([C:5]([H:12])([H:13])[H:14])[C:6]([H:15])([H:16])[H:17])([H:7])([H:8])[H:9],[C-:1]([N+:2]1=[C:3]([H:10])[C:4]1([C:5]([H:12])([H:13])[H:14])[C:6]([H:15])([H:16])[H:17])([H:7])[H:9].[H:8][H:11],"InChI=1S/C5H11N/c1-5(2)4-6(5)3/h4H2,1-3H3","InChI=1S/C5H9N.H2/c1-5(2)4-6(5)3;/h4H,3H2,1-2H3;1H",68.41105999999999,61.44556,
3830,[C:1]([N:2]1[C:3]([H:10])([H:11])[C:4]1([C:5]([H:12])([H:13])[H:14])[C:6]([H:15])([H:16])[H:17])([H:7])([H:8])[H:9],[C:1]([N+:2]1([C:5]([H:12])([H:13])[H:14])[C:3]([H:10])([H:11])[C-:4]1[C:6]([H:15])([H:16])[H:17])([H:7])([H:8])[H:9],"InChI=1S/C5H11N/c1-5(2)4-6(5)3/h4H2,1-3H3","InChI=1S/C5H11N/c1-5-4-6(5,2)3/h4H2,1-3H3",96.02524,59.510130000000004,
3831,[C:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[c:5]([H:12])[o:6]1)([H:7])([H:8])[H:9],[C:1]([C@@:3]1([H:10])[C-:2]=[O+:6][C:5]([H:12])=[C:4]1[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H6O/c1-5-3-2-4-6-5/h2-4H,1H3","InChI=1S/C5H6O/c1-5-2-3-6-4-5/h2-3,5H,1H3/t5-/m1/s1",80.26595999999999,64.56654,
3832,[C:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[c:5]([H:12])[o:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]([C:3](=[C:4]=[C:5]([H:11])[H:12])[H:10])=[O:6])([H:7])([H:8])[H:9],"InChI=1S/C5H6O/c1-5-3-2-4-6-5/h2-4H,1H3","InChI=1S/C5H6O/c1-3-4-5(2)6/h4H,1H2,2H3",68.64206999999999,23.12415,
3833,[C:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[c:5]([H:12])[o:6]1)([H:7])([H:8])[H:9],[C:1]([C@:5]1([H:12])[C:4]([H:11])=[C:3]([H:10])[C-:2]=[O+:6]1)([H:7])([H:8])[H:9],"InChI=1S/C5H6O/c1-5-3-2-4-6-5/h2-4H,1H3","InChI=1S/C5H6O/c1-5-3-2-4-6-5/h2-3,5H,1H3/t5-/m1/s1",143.43123,57.9917,
3834,[C:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[c:5]([H:12])[o:6]1)([H:7])([H:8])[H:9],[C:1](=[C:2](/[C:3](=[C:4](\[C:5](=[O:6])[H:12])[H:11])[H:10])[H:7])([H:8])[H:9],"InChI=1S/C5H6O/c1-5-3-2-4-6-5/h2-4H,1H3","InChI=1S/C5H6O/c1-2-3-4-5-6/h2-5H,1H2/b4-3-",80.49063000000001,15.41125,
3835,[C:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[c:5]([H:12])[o:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]1=[C:3]([H:10])[C:4]([H:11])([H:12])[C-:5]=[O+:6]1)([H:7])([H:8])[H:9],"InChI=1S/C5H6O/c1-5-3-2-4-6-5/h2-4H,1H3","InChI=1S/C5H6O/c1-5-3-2-4-6-5/h3H,2H2,1H3",64.8295,58.063269999999996,Singlet_Carbene_Intra_Disproportionation
3836,[C:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[c:5]([H:12])[o:6]1)([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]=[C:4]([C:5](=[O:6])[H:12])[H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H6O/c1-5-3-2-4-6-5/h2-4H,1H3","InChI=1S/C5H6O/c1-2-3-4-5-6/h2,4-5H,1H3",70.52695,27.540840000000003,
3837,[C:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[c:5]([H:12])[o:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]1([H:10])[C:4]([H:11])=[C:5]1[H:12])=[O:6])([H:7])([H:8])[H:9],"InChI=1S/C5H6O/c1-5-3-2-4-6-5/h2-4H,1H3","InChI=1S/C5H6O/c1-4(6)5-2-3-5/h2-3,5H,1H3",76.66487,45.74477,ketoenol
3838,[C:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[c:5]([H:12])[o:6]1)([H:7])([H:8])[H:9],[C:1]([C:2](=[C+:3][H:10])[O-:6])([H:7])([H:8])[H:9].[C:4](#[C:5][H:12])[H:11],"InChI=1S/C5H6O/c1-5-3-2-4-6-5/h2-4H,1H3","InChI=1S/C3H4O.C2H2/c1-3(2)4;1-2/h1H,2H3;1-2H",120.67102,125.43211000000001,
3839,[C:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[c:5]([H:12])[o:6]1)([H:7])([H:8])[H:9],[C:1](=[C:2]1[C:3]([H:7])([H:10])[C:4]([H:11])=[C:5]([H:12])[O:6]1)([H:8])[H:9],"InChI=1S/C5H6O/c1-5-3-2-4-6-5/h2-4H,1H3","InChI=1S/C5H6O/c1-5-3-2-4-6-5/h2,4H,1,3H2",81.25479,18.27385,
3840,[C:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[c:5]([H:12])[o:6]1)([H:7])([H:8])[H:9],[C:1](=[C:2]1[C:3]([H:10])=[C:4]([H:11])[C:5]([H:7])([H:12])[O:6]1)([H:8])[H:9],"InChI=1S/C5H6O/c1-5-3-2-4-6-5/h2-4H,1H3","InChI=1S/C5H6O/c1-5-3-2-4-6-5/h2-3H,1,4H2",81.92158,15.58929,Intra_ene_reaction
3841,[C:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[c:5]([H:12])[o:6]1)([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:11])[C:3]([H:10])=[C:4]=[C:5]([H:12])[O:6]1)([H:7])([H:8])[H:9],"InChI=1S/C5H6O/c1-5-3-2-4-6-5/h2-4H,1H3","InChI=1S/C5H6O/c1-5-3-2-4-6-5/h3-5H,1H3/t5-/m0/s1",83.34334,68.55972,
3842,[C:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[c:5]([H:12])[o:6]1)([H:7])([H:8])[H:9],[C:1]([C:3](=[C:2]=[O:6])[H:10])([H:7])([H:8])[H:9].[C:4](#[C:5][H:12])[H:11],"InChI=1S/C5H6O/c1-5-3-2-4-6-5/h2-4H,1H3","InChI=1S/C3H4O.C2H2/c1-2-3-4;1-2/h2H,1H3;1-2H",112.26144,58.829480000000004,
3843,[C:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[c:5]([H:12])[o:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]1=[C:3]([H:10])[C:4](=[C:5]([H:11])[H:12])[O:6]1)([H:7])([H:8])[H:9],"InChI=1S/C5H6O/c1-5-3-2-4-6-5/h2-4H,1H3","InChI=1S/C5H6O/c1-4-3-5(2)6-4/h3H,1H2,2H3",78.44006,38.3834,
3844,[C:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[c:5]([H:12])[o:6]1)([H:7])([H:8])[H:9],[C:1]([C@@:2]12[C:3]([H:10])=[C:4]([H:11])[C@:5]1([H:12])[O:6]2)([H:7])([H:8])[H:9],"InChI=1S/C5H6O/c1-5-3-2-4-6-5/h2-4H,1H3","InChI=1S/C5H6O/c1-5-3-2-4(5)6-5/h2-4H,1H3/t4-,5+/m0/s1",103.50994,67.82607,Intra_2+2_cycloaddition_Cd
3845,[O:1]([C:2]([C:3]#[C:4][C:5]#[C:6][H:10])([H:8])[H:9])[H:7],[O:1]([C:2](=[C:3]=[C:4]=[C:5]=[C:6]([H:9])[H:10])[H:8])[H:7],"InChI=1S/C5H4O/c1-2-3-4-5-6/h1,6H,5H2","InChI=1S/C5H4O/c1-2-3-4-5-6/h5-6H,1H2",64.77124,-10.23061,Intra_ene_reaction
3846,[O:1]([C:2]([C:3]#[C:4][C:5]#[C:6][H:10])([H:8])[H:9])[H:7],[O:1]([C:2]([C:3]12[C:4]3=[C:5]1[C:6]23[H:10])([H:8])[H:9])[H:7],"InChI=1S/C5H4O/c1-2-3-4-5-6/h1,6H,5H2","InChI=1S/C5H4O/c6-1-5-2-3(5)4(2)5/h2,6H,1H2",89.41637,68.83009,
3847,[O:1]([C:2]([C:3]#[C:4][C:5]#[C:6][H:10])([H:8])[H:9])[H:7],[O:1]([C:4](=[C:3]=[C:2]([H:8])[H:9])[C:5]#[C:6][H:10])[H:7],"InChI=1S/C5H4O/c1-2-3-4-5-6/h1,6H,5H2","InChI=1S/C5H4O/c1-3-5(6)4-2/h1,6H,2H2",62.55863000000001,-0.79191,
3848,[O:1]([C:2]([C:3]#[C:4][C:5]#[C:6][H:10])([H:8])[H:9])[H:7],[O:1]([C:2]([C:3](=[C+:4][C:5]#[C-:6])[H:10])([H:8])[H:9])[H:7],"InChI=1S/C5H4O/c1-2-3-4-5-6/h1,6H,5H2","InChI=1S/C5H4O/c1-2-3-4-5-6/h4,6H,5H2",99.64531,46.27537,
3849,[O:1]([C:2]([C:3]#[C:4][C:5]#[C:6][H:10])([H:8])[H:9])[H:7],[O:1]([C:2](=[C:3]=[C:4]([C:5]#[C:6][H:10])[H:9])[H:8])[H:7],"InChI=1S/C5H4O/c1-2-3-4-5-6/h1,6H,5H2","InChI=1S/C5H4O/c1-2-3-4-5-6/h1,3,5-6H",75.91938,-2.1532400000000003,
3850,[O:1]([C:2]([C:3]#[C:4][C:5]#[C:6][H:10])([H:8])[H:9])[H:7],[O:1]([C:2]([C-:3]=[C:4]1[C+:5]=[C:6]1[H:10])([H:8])[H:9])[H:7],"InChI=1S/C5H4O/c1-2-3-4-5-6/h1,6H,5H2","InChI=1S/C5H4O/c6-4-3-5-1-2-5/h1,6H,4H2",53.89168000000001,56.526959999999995,
3851,[O:1]([C:2]([C:3]#[C:4][C:5]#[C:6][H:10])([H:8])[H:9])[H:7],[C+:2](=[C:3]=[C-:4][C:5]#[C:6][H:10])[H:8].[O:1]([H:7])[H:9],"InChI=1S/C5H4O/c1-2-3-4-5-6/h1,6H,5H2",InChI=1S/C5H2.H2O/c1-3-5-4-2;/h1-2H;1H2,58.68988,63.67115,
3852,[O:1]([C:2]([C:3]#[C:4][C:5]#[C:6][H:10])([H:8])[H:9])[H:7],[O:1]([C:2]([C:3](=[C:4])[C:5]#[C:6][H:10])([H:8])[H:9])[H:7],"InChI=1S/C5H4O/c1-2-3-4-5-6/h1,6H,5H2","InChI=1S/C5H4O/c1-3-5(2)4-6/h1,6H,4H2",53.52969,58.11634,
3853,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@:4]([O:5][H:12])([H:11])[C:6]1([H:13])[H:14])[H:7],[O:1]([C:3]([C@@:2]1([H:8])[C@:4]([O:5][H:12])([H:11])[C:6]1([H:13])[H:14])([H:9])[H:10])[H:7],"InChI=1S/C4H8O2/c5-3-1-4(6)2-3/h3-6H,1-2H2/t3-,4+","InChI=1S/C4H8O2/c5-2-3-1-4(3)6/h3-6H,1-2H2/t3-,4-/m0/s1",77.96300000000001,5.911169999999999,
3854,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@:4]([O:5][H:12])([H:11])[C:6]1([H:13])[H:14])[H:7],[H:10][H:12].[O:1]([C@@:2]1([H:8])[C@@:3]([C:4](=[O:5])[H:11])([H:9])[C:6]1([H:13])[H:14])[H:7],"InChI=1S/C4H8O2/c5-3-1-4(6)2-3/h3-6H,1-2H2/t3-,4+","InChI=1S/C4H6O2.H2/c5-2-3-1-4(3)6;/h2-4,6H,1H2;1H/t3-,4+;/m0./s1",85.26932,21.96161,
3855,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@:4]([O:5][H:12])([H:11])[C:6]1([H:13])[H:14])[H:7],[C:4]([O:5][H:12])(=[C:6]([H:13])[H:14])[H:11].[O:1]([C:2](=[C:3]([H:9])[H:10])[H:8])[H:7],"InChI=1S/C4H8O2/c5-3-1-4(6)2-3/h3-6H,1-2H2/t3-,4+","InChI=1S/2C2H4O/c2*1-2-3/h2*2-3H,1H2",64.13351999999999,11.06245,
3856,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@:4]([O:5][H:12])([H:11])[C:6]1([H:13])[H:14])[H:7],[O:1]=[C:2]([C:6]([C:4](=[C:3]([H:9])[H:10])[H:11])([H:13])[H:14])[H:8].[O:5]([H:7])[H:12],"InChI=1S/C4H8O2/c5-3-1-4(6)2-3/h3-6H,1-2H2/t3-,4+","InChI=1S/C4H6O.H2O/c1-2-3-4-5;/h2,4H,1,3H2;1H2",52.2727,1.10127,
3857,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@:4]([O:5][H:12])([H:11])[C:6]1([H:13])[H:14])[H:7],[O:1]1[C@@:2]2([H:8])[C:3]([H:9])([H:10])[C@:4]1([H:11])[C:6]2([H:13])[H:14].[O:5]([H:7])[H:12],"InChI=1S/C4H8O2/c5-3-1-4(6)2-3/h3-6H,1-2H2/t3-,4+","InChI=1S/C4H6O.H2O/c1-3-2-4(1)5-3;/h3-4H,1-2H2;1H2/t3-,4+;",70.69088,49.20733,
3858,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@:4]([O:5][H:12])([H:11])[C:6]1([H:13])[H:14])[H:7],[H:7][H:8].[O:1]=[C:2]1[C:3]([H:9])([H:10])[C:4]([O:5][H:12])([H:11])[C:6]1([H:13])[H:14],"InChI=1S/C4H8O2/c5-3-1-4(6)2-3/h3-6H,1-2H2/t3-,4+","InChI=1S/C4H6O2.H2/c5-3-1-4(6)2-3;/h3,5H,1-2H2;1H",77.40744000000001,13.8873,
3859,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@:4]([O:5][H:12])([H:11])[C:6]1([H:13])[H:14])[H:7],[O:1]([C@@:2]([C:3]([H:9])([H:10])[H:11])([C:6]([C:4][O:5][H:12])([H:13])[H:14])[H:8])[H:7],"InChI=1S/C4H8O2/c5-3-1-4(6)2-3/h3-6H,1-2H2/t3-,4+","InChI=1S/C4H8O2/c1-4(6)2-3-5/h4-6H,2H2,1H3/t4-/m0/s1",55.08025,40.43122,
3860,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@:4]([O:5][H:12])([H:11])[C:6]1([H:13])[H:14])[H:7],[H:8][H:10].[O:1]([C:2]1=[C:3]([H:9])[C@:4]([O:5][H:12])([H:11])[C:6]1([H:13])[H:14])[H:7],"InChI=1S/C4H8O2/c5-3-1-4(6)2-3/h3-6H,1-2H2/t3-,4+","InChI=1S/C4H6O2.H2/c5-3-1-4(6)2-3;/h1,3,5-6H,2H2;1H/t3-;/m1./s1",101.30345,27.54431,
3861,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@:4]([O:5][H:12])([H:11])[C:6]1([H:13])[H:14])[H:7],[O:1]([C@@:2]1([H:8])[C:3]([H:10])=[C:4]([H:11])[C:6]1([H:13])[H:14])[H:7].[O:5]([H:9])[H:12],"InChI=1S/C4H8O2/c5-3-1-4(6)2-3/h3-6H,1-2H2/t3-,4+","InChI=1S/C4H6O.H2O/c5-4-2-1-3-4;/h1-2,4-5H,3H2;1H2/t4-;/m0./s1",60.758480000000006,17.431179999999998,"1,3_Insertion_ROR"
3862,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@:4]([O:5][H:12])([H:11])[C:6]1([H:13])[H:14])[H:7],[C:3]1([H:9])([H:10])[C:4]([O:5][H:12])([H:11])[C:6]1([H:13])[H:14].[O:1]([C:2][H:8])[H:7],"InChI=1S/C4H8O2/c5-3-1-4(6)2-3/h3-6H,1-2H2/t3-,4+","InChI=1S/C3H6O.CH2O/c4-3-1-2-3;1-2/h3-4H,1-2H2;1-2H",94.13971,79.05506,
3863,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@:4]([O:5][H:12])([H:11])[C:6]1([H:13])[H:14])[H:7],[O:1]([C:6]([C@@:4]([C:3]([C:2][H:8])([H:9])[H:10])([O:5][H:12])[H:11])([H:13])[H:14])[H:7],"InChI=1S/C4H8O2/c5-3-1-4(6)2-3/h3-6H,1-2H2/t3-,4+","InChI=1S/C4H8O2/c1-2-4(6)3-5/h1,4-6H,2-3H2/t4-/m1/s1",94.06671,77.01252,
3864,[C:1]([N:2]([C:3]([H:10])([H:11])[H:12])[C:4]([C:5]#[N:6])([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]([N+:2]([C:3]([H:10])([H:11])[H:12])([C-:4]([C:5]#[N:6])[H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C4H8N2/c1-6(2)4-3-5/h4H2,1-2H3","InChI=1S/C4H8N2/c1-6(2)4-3-5/h4,6H,1-2H3",62.91274,42.09959,
3865,[C:1]([N:2]([C:3]([H:10])([H:11])[H:12])[C:4]([C:5]#[N:6])([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]([N+:2]([C:3]([H:10])([H:11])[H:12])=[C:4]([C:5](=[N-:6])[H:14])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C4H8N2/c1-6(2)4-3-5/h4H2,1-2H3","InChI=1S/C4H8N2/c1-6(2)4-3-5/h3-4H,1-2H3",58.530559999999994,49.85307,
3866,[C:1]([N:2]([C:3]([H:10])([H:11])[H:12])[C:4]([C:5]#[N:6])([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]1([H:7])([H:9])[N:2]([C:3]([H:10])([H:11])[H:12])[C:4]([H:13])([H:14])[C:5][N:6]1[H:8],"InChI=1S/C4H8N2/c1-6(2)4-3-5/h4H2,1-2H3","InChI=1S/C4H8N2/c1-6-3-2-5-4-6/h5H,3-4H2,1H3",66.24524,44.16703,
3867,[C:1]([N:2]([C:3]([H:10])([H:11])[H:12])[C:4]([C:5]#[N:6])([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]([N:2]([C:3]([H:10])([H:11])[H:12])[H:7])([N:6]=[C:5]=[C:4]([H:13])[H:14])([H:8])[H:9],"InChI=1S/C4H8N2/c1-6(2)4-3-5/h4H2,1-2H3","InChI=1S/C4H8N2/c1-3-6-4-5-2/h5H,1,4H2,2H3",85.21838000000001,18.0305,
3868,[C:1]([N:2]([C:3]([H:10])([H:11])[H:12])[C:4]([C:5]#[N:6])([H:13])[H:14])([H:7])([H:8])[H:9],[C-:1]([N+:2]([C:3]([H:10])([H:11])[H:12])([C:4]([C:5]#[N:6])([H:13])[H:14])[H:8])([H:7])[H:9],"InChI=1S/C4H8N2/c1-6(2)4-3-5/h4H2,1-2H3","InChI=1S/C4H8N2/c1-6(2)4-3-5/h6H,1,4H2,2H3",79.67173000000001,69.61376,
3869,[C:1]([N:2]([C:3]([H:10])([H:11])[H:12])[C:4]([C:5]#[N:6])([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]([N:2]([C:3]([H:10])([H:11])[H:12])[C:4]([N+:6]#[C-:5])([H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C4H8N2/c1-6(2)4-3-5/h4H2,1-2H3","InChI=1S/C4H8N2/c1-5-4-6(2)3/h4H2,2-3H3",42.02342,22.80108,
3870,[C:1]([N:2]([C:3]([H:10])([H:11])[H:12])[C:4]([C:5]#[N:6])([H:13])[H:14])([H:7])([H:8])[H:9],[C:1](=[N:2][C:3]([H:10])([H:11])[H:12])([H:7])[H:9].[C:4](=[C:5]=[N:6][H:8])([H:13])[H:14],"InChI=1S/C4H8N2/c1-6(2)4-3-5/h4H2,1-2H3","InChI=1S/C2H5N.C2H3N/c1-3-2;1-2-3/h1H2,2H3;3H,1H2",51.78546,28.10872,Retroene
3871,[C:1]([N:2]([C:3]([H:10])([H:11])[H:12])[C:4]([C:5]#[N:6])([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]1([H:7])([H:9])[N:2]([C:3]([H:10])([H:11])[H:12])[C:4]([H:13])([H:14])[C:5]1=[N:6][H:8],"InChI=1S/C4H8N2/c1-6(2)4-3-5/h4H2,1-2H3","InChI=1S/C4H8N2/c1-6-2-4(5)3-6/h5H,2-3H2,1H3",101.51155,17.54185,
3872,[C:1]([N:2]([C:3]([H:10])([H:11])[H:12])[C:4]([C:5]#[N:6])([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]([N+:2]([C-:3]([H:10])[H:12])=[C:4]([H:13])[H:14])([H:7])([H:8])[H:9].[C:5](#[N:6])[H:11],"InChI=1S/C4H8N2/c1-6(2)4-3-5/h4H2,1-2H3","InChI=1S/C3H7N.CHN/c1-4(2)3;1-2/h1-2H2,3H3;1H",48.65885,52.68499,
3873,[C:1]([N:2]([C:3]([H:10])([H:11])[H:12])[C:4]([C:5]#[N:6])([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]([N+:2]([C-:3]([H:10])[H:12])=[C:4]([C:5]#[N:6])[H:13])([H:7])([H:8])[H:9].[H:11][H:14],"InChI=1S/C4H8N2/c1-6(2)4-3-5/h4H2,1-2H3","InChI=1S/C4H6N2.H2/c1-6(2)4-3-5;/h4H,1H2,2H3;1H",51.72579,42.071459999999995,
3874,[C:1]([N:2]([C:3]([H:10])([H:11])[H:12])[C:4]([C:5]#[N:6])([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]([N:2]([C:3]([H:10])([H:11])[H:12])[N:6]=[C:5]=[C:4]([H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C4H8N2/c1-6(2)4-3-5/h4H2,1-2H3","InChI=1S/C4H8N2/c1-4-5-6(2)3/h1H2,2-3H3",74.28262,35.231320000000004,
3876,[C:1]([C:2]([C:3]1([C:4]([H:12])([H:13])[H:14])[C:5]([H:15])([H:16])[C:6]1([H:17])[H:18])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]([H:10])[H:11])([H:7])[H:8].[C:3]1([C:4]([H:12])([H:13])[H:14])=[C:6]([H:17])[C:5]1([H:15])[H:16].[H:9][H:18],"InChI=1S/C6H12/c1-3-6(2)4-5-6/h3-5H2,1-2H3","InChI=1S/C4H6.C2H4.H2/c1-4-2-3-4;1-2;/h2H,3H2,1H3;1-2H2;1H",91.26646,74.84464,
3877,[C:1]([C:2]([C:3]1([C:4]([H:12])([H:13])[H:14])[C:5]([H:15])([H:16])[C:6]1([H:17])[H:18])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]([H:10])[H:11])([H:7])[H:8].[C:3]([C:4]([H:12])([H:13])[H:14])(=[C:5]([H:15])[H:16])[C:6]([H:9])([H:17])[H:18],"InChI=1S/C6H12/c1-3-6(2)4-5-6/h3-5H2,1-2H3","InChI=1S/C4H8.C2H4/c1-4(2)3;1-2/h1H2,2-3H3;1-2H2",69.2846,14.7748,
3878,[C:1]([C:2]([C:3]1([C:4]([H:12])([H:13])[H:14])[C:5]([H:15])([H:16])[C:6]1([H:17])[H:18])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]1=[C:6]([H:18])[C:5]1([H:15])[H:16])([H:10])[H:11])([H:7])([H:8])[H:9].[C:4]([H:12])([H:13])([H:14])[H:17],"InChI=1S/C6H12/c1-3-6(2)4-5-6/h3-5H2,1-2H3","InChI=1S/C5H8.CH4/c1-2-5-3-4-5;/h3H,2,4H2,1H3;1H4",114.23100000000001,38.39283,
3879,[C:1]([C:2]([C:3]1([C:4]([H:12])([H:13])[H:14])[C:5]([H:15])([H:16])[C:6]1([H:17])[H:18])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3][C:6]([C:5]([C:4]([H:12])([H:13])[H:14])([H:15])[H:16])([H:17])[H:18])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C6H12/c1-3-6(2)4-5-6/h3-5H2,1-2H3","InChI=1S/C6H12/c1-3-5-6-4-2/h3-5H2,1-2H3",96.2833,71.62536,
3880,[C:1]([C:2]([C:3]1([C:4]([H:12])([H:13])[H:14])[C:5]([H:15])([H:16])[C:6]1([H:17])[H:18])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:6]([C:5]([C:3][C:4]([H:12])([H:13])[H:14])([H:15])[H:16])([H:17])[H:18])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C6H12/c1-3-6(2)4-5-6/h3-5H2,1-2H3","InChI=1S/C6H12/c1-3-5-6-4-2/h3,5-6H2,1-2H3",97.17914,70.66869,
3881,[C:1]([C:2]([C:3]1([C:4]([H:12])([H:13])[H:14])[C:5]([H:15])([H:16])[C:6]1([H:17])[H:18])([H:10])[H:11])([H:7])([H:8])[H:9],[C-:1]([C:2]([C+:3]1[C:5]([H:15])([H:16])[C:6]1([H:17])[H:18])([H:10])[H:11])([H:7])[H:8].[C:4]([H:9])([H:12])([H:13])[H:14],"InChI=1S/C6H12/c1-3-6(2)4-5-6/h3-5H2,1-2H3",InChI=1S/C5H8.CH4/c1-2-5-3-4-5;/h1-4H2;1H4,101.05821,103.67664,
3882,[C:1]([C:2]([C:3]1([C:4]([H:12])([H:13])[H:14])[C:5]([H:15])([H:16])[C:6]1([H:17])[H:18])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:10].[C:2]([C:3]1([C:4]([H:12])([H:13])[H:14])[C:5]([H:15])([H:16])[C:6]1([H:17])[H:18])[H:11],"InChI=1S/C6H12/c1-3-6(2)4-5-6/h3-5H2,1-2H3","InChI=1S/C5H8.CH4/c1-5(2)3-4-5;/h1H,3-4H2,2H3;1H4",82.95756999999999,88.80323,
3883,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])([H:16])[C:6]1([H:17])[H:18],[C:1](=[C:6]([H:17])[H:18])([H:7])[H:8].[C:2](=[C:3]([H:11])[H:12])([H:9])[H:10].[C:4](=[C:5]([H:15])[H:16])([H:13])[H:14],InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2,InChI=1S/3C2H4/c3*1-2/h3*1-2H2,99.06076999999999,66.14116999999999,
3884,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])([H:16])[C:6]1([H:17])[H:18],[C:1]1([H:7])=[C:2]([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])([H:16])[C:6]1([H:17])[H:18].[H:8][H:9],InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2,"InChI=1S/C6H10.H2/c1-2-4-6-5-3-1;/h1-2H,3-6H2;1H",110.80206000000001,28.394859999999998,
3885,[C:1]([C@@:2]1([H:10])[O:3][C@:4]1([C:5]([O:6][H:14])([H:12])[H:13])[H:11])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[O:3][C:4]1=[C:5]([H:12])[H:13])([H:7])([H:8])[H:9].[O:6]([H:11])[H:14],"InChI=1S/C4H8O2/c1-3-4(2-5)6-3/h3-5H,2H2,1H3/t3-,4+/m1/s1","InChI=1S/C4H6O.H2O/c1-3-4(2)5-3;/h4H,1H2,2H3;1H2/t4-;/m1./s1",69.54595,12.53818,"1,3_Insertion_ROR"
3886,[C:1]([C@@:2]1([H:10])[O:3][C@:4]1([C:5]([O:6][H:14])([H:12])[H:13])[H:11])([H:7])([H:8])[H:9],[C:1]([C@@:2]([O:3][H:14])([C@:4]1([H:11])[C:5]([H:12])([H:13])[O:6]1)[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-3-4(2-5)6-3/h3-5H,2H2,1H3/t3-,4+/m1/s1","InChI=1S/C4H8O2/c1-3(5)4-2-6-4/h3-5H,2H2,1H3/t3-,4+/m1/s1",43.35283,0.29671,
3887,[C:1]([C@@:2]1([H:10])[O:3][C@:4]1([C:5]([O:6][H:14])([H:12])[H:13])[H:11])([H:7])([H:8])[H:9],[C:1]([O:6][C:5]([C@@:4]([C:2][H:10])([O:3][H:14])[H:11])([H:12])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-3-4(2-5)6-3/h3-5H,2H2,1H3/t3-,4+/m1/s1","InChI=1S/C4H8O2/c1-4(5)3-6-2/h1,4-5H,3H2,2H3/t4-/m1/s1",106.21198999999999,78.26441,
3888,[C:1]([C@@:2]1([H:10])[O:3][C@:4]1([C:5]([O:6][H:14])([H:12])[H:13])[H:11])([H:7])([H:8])[H:9],[C:1]([C@@:2]([O:3][H:12])(/[C:4](=[C:5](\[O:6][H:14])[H:13])[H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-3-4(2-5)6-3/h3-5H,2H2,1H3/t3-,4+/m1/s1","InChI=1S/C4H8O2/c1-4(6)2-3-5/h2-6H,1H3/b3-2-/t4-/m1/s1",57.57569,-15.797,
3889,[C:1]([C@@:2]1([H:10])[O:3][C@:4]1([C:5]([O:6][H:14])([H:12])[H:13])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](=[O:3])[H:10])([H:7])([H:8])[H:9].[C:4](=[C:5]([O:6][H:14])[H:13])([H:11])[H:12],"InChI=1S/C4H8O2/c1-3-4(2-5)6-3/h3-5H,2H2,1H3/t3-,4+/m1/s1","InChI=1S/2C2H4O/c2*1-2-3/h2H,1H3;2-3H,1H2",55.27226999999999,-5.67035,
3890,[C:1]([C@@:2]1([H:10])[O:3][C@:4]1([C:5]([O:6][H:14])([H:12])[H:13])[H:11])([H:7])([H:8])[H:9],[C:1]([C-:2]([O+:3]=[C:4]([C:5]([O:6][H:14])([H:12])[H:13])[H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-3-4(2-5)6-3/h3-5H,2H2,1H3/t3-,4+/m1/s1","InChI=1S/C4H8O2/c1-2-6-4-3-5/h2,4-5H,3H2,1H3",49.43346,41.06139,
3891,[C:1]([C@@:2]1([H:10])[O:3][C@:4]1([C:5]([O:6][H:14])([H:12])[H:13])[H:11])([H:7])([H:8])[H:9],[C:1]([C@@:2]([O+:3]=[C-:4][H:11])([C:5]([O:6][H:14])([H:12])[H:13])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-3-4(2-5)6-3/h3-5H,2H2,1H3/t3-,4+/m1/s1","InChI=1S/C4H8O2/c1-4(3-5)6-2/h2,4-5H,3H2,1H3/t4-/m1/s1",92.2879,40.334720000000004,
3892,[C:1]([C@@:2]1([H:10])[O:3][C@:4]1([C:5]([O:6][H:14])([H:12])[H:13])[H:11])([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:12].[C:2]1([H:10])=[O+:3][C@:4]1([C-:5]([O:6][H:14])[H:13])[H:11],"InChI=1S/C4H8O2/c1-3-4(2-5)6-3/h3-5H,2H2,1H3/t3-,4+/m1/s1",InChI=1S/C3H4O2.CH4/c4-1-3-2-5-3;/h1-4H;1H4/t3-;/m0./s1,98.49908,91.28242,
3893,[C:1]([C@@:2]1([H:10])[O:3][C@:4]1([C:5]([O:6][H:14])([H:12])[H:13])[H:11])([H:7])([H:8])[H:9],[C:1]([C@@:2]([O:3][H:11])([C:4][C:5]([O:6][H:14])([H:12])[H:13])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-3-4(2-5)6-3/h3-5H,2H2,1H3/t3-,4+/m1/s1","InChI=1S/C4H8O2/c1-4(6)2-3-5/h4-6H,3H2,1H3/t4-/m1/s1",65.13269,61.395959999999995,
3894,[C:1]([C@@:2]1([H:10])[O:3][C@:4]1([C:5]([O:6][H:14])([H:12])[H:13])[H:11])([H:7])([H:8])[H:9],[C:1]([C-:2]=[O+:3][C:4]([C:5]([O:6][H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-3-4(2-5)6-3/h3-5H,2H2,1H3/t3-,4+/m1/s1","InChI=1S/C4H8O2/c1-2-6-4-3-5/h5H,3-4H2,1H3",72.51765999999999,40.18052,
3895,[C:1]([C@@:2]1([H:10])[O:3][C@:4]1([C:5]([O:6][H:14])([H:12])[H:13])[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]([C@@:4]([O:3][H:14])([C:5]([O:6][H:7])([H:12])[H:13])[H:11])[H:10])([H:8])[H:9],"InChI=1S/C4H8O2/c1-3-4(2-5)6-3/h3-5H,2H2,1H3/t3-,4+/m1/s1","InChI=1S/C4H8O2/c1-2-4(6)3-5/h2,4-6H,1,3H2/t4-/m1/s1",39.43764,-10.513819999999999,
3896,[C:1]([C@@:2]1([H:10])[O:3][C@:4]1([C:5]([O:6][H:14])([H:12])[H:13])[H:11])([H:7])([H:8])[H:9],[C:1]([O:3][C@:4]([C:2][H:10])([C:5]([O:6][H:14])([H:12])[H:13])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-3-4(2-5)6-3/h3-5H,2H2,1H3/t3-,4+/m1/s1","InChI=1S/C4H8O2/c1-4(3-5)6-2/h1,4-5H,3H2,2H3/t4-/m1/s1",102.46723,84.58031,
3897,[C:1]([C@@:2]1([H:10])[O:3][C@:4]1([C:5]([O:6][H:14])([H:12])[H:13])[H:11])([H:7])([H:8])[H:9],[C:1]([C@@:2]([O:3][H:14])([C:4]([C:5](=[O:6])[H:12])([H:11])[H:13])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-3-4(2-5)6-3/h3-5H,2H2,1H3/t3-,4+/m1/s1","InChI=1S/C4H8O2/c1-4(6)2-3-5/h3-4,6H,2H2,1H3/t4-/m1/s1",37.61981,-24.82198,
3898,[C:1]([C@@:2]1([H:10])[O:3][C@:4]1([C:5]([O:6][H:14])([H:12])[H:13])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2][C@@:4]([O:3][H:10])([C:5]([O:6][H:14])([H:12])[H:13])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-3-4(2-5)6-3/h3-5H,2H2,1H3/t3-,4+/m1/s1","InChI=1S/C4H8O2/c1-2-4(6)3-5/h4-6H,3H2,1H3/t4-/m1/s1",67.28284000000001,65.82165,
3899,[C:1]([C@@:2]1([H:10])[O:3][C@:4]1([C:5]([O:6][H:14])([H:12])[H:13])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([O+:3]=[C-:4][C:5]([O:6][H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-3-4(2-5)6-3/h3-5H,2H2,1H3/t3-,4+/m1/s1","InChI=1S/C4H8O2/c1-2-6-4-3-5/h5H,2-3H2,1H3",72.04175,40.08934,
3900,[C:1]([C@@:2]1([H:10])[O:3][C@:4]1([C:5]([O:6][H:14])([H:12])[H:13])[H:11])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[O:3][C@:4]([O:6][H:14])([H:11])[C:5]1([H:12])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-3-4(2-5)6-3/h3-5H,2H2,1H3/t3-,4+/m1/s1","InChI=1S/C4H8O2/c1-3-2-4(5)6-3/h3-5H,2H2,1H3/t3-,4-/m1/s1",79.49515,-11.89959,
3901,[C:1]([C@@:2]1([H:10])[O:3][C@:4]1([C:5]([O:6][H:14])([H:12])[H:13])[H:11])([H:7])([H:8])[H:9],[C:1](/[C:2](=[C:4](\[O:3][H:14])[H:11])[H:10])([H:7])([H:8])[H:9].[C:5](=[O:6])([H:12])[H:13],"InChI=1S/C4H8O2/c1-3-4(2-5)6-3/h3-5H,2H2,1H3/t3-,4+/m1/s1","InChI=1S/C3H6O.CH2O/c1-2-3-4;1-2/h2-4H,1H3;1H2/b3-2-;",40.76457,3.4659800000000005,
3902,[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([C:4]#[N:5])[H:9])([H:6])([H:7])[H:8],[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([N+:5]#[C-:4])[H:9])([H:6])([H:7])[H:8],"InChI=1S/C4H7N/c1-4(2)3-5/h4H,1-2H3","InChI=1S/C4H7N/c1-4(2)5-3/h4H,1-2H3",59.23704,24.57645,
3903,[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([C:4]#[N:5])[H:9])([H:6])([H:7])[H:8],[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])=[C:4]=[N:5][H:9])([H:6])([H:7])[H:8],"InChI=1S/C4H7N/c1-4(2)3-5/h4H,1-2H3","InChI=1S/C4H7N/c1-4(2)3-5/h5H,1-2H3",80.92126,18.76736,
3904,[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([C:4]#[N:5])[H:9])([H:6])([H:7])[H:8],[C:1]([C@@:2]1([H:9])[C:3]([H:10])([H:12])/[C:4]1=[N:5]\[H:11])([H:6])([H:7])[H:8],"InChI=1S/C4H7N/c1-4(2)3-5/h4H,1-2H3","InChI=1S/C4H7N/c1-3-2-4(3)5/h3,5H,2H2,1H3/b5-4+/t3-/m0/s1",104.96711,33.31823,
3905,[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([C:4]#[N:5])[H:9])([H:6])([H:7])[H:8],[C:1]([C+:2]=[C:4]=[N-:5])([H:6])([H:7])[H:8].[C:3]([H:9])([H:10])([H:11])[H:12],"InChI=1S/C4H7N/c1-4(2)3-5/h4H,1-2H3",InChI=1S/C3H3N.CH4/c1-2-3-4;/h1H3;1H4,78.86573,82.60109,
3906,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C@@:4]([C:5]([H:15])([H:16])[H:17])([O:6][H:18])[H:14])[H:10])([H:7])([H:8])[H:9],[C:1](/[C:2](=[C:4](/[C:5]([H:15])([H:16])[H:17])[H:14])[H:10])([H:7])([H:8])[H:9].[C:3]([O:6][H:18])([H:11])([H:12])[H:13],"InChI=1S/C5H12O/c1-4(2)5(3)6/h4-6H,1-3H3/t5-/m1/s1","InChI=1S/C4H8.CH4O/c1-3-4-2;1-2/h3-4H,1-2H3;2H,1H3/b4-3+;",93.45342,23.40849,"1,3_Insertion_ROR"
3907,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C@@:4]([C:5]([H:15])([H:16])[H:17])([O:6][H:18])[H:14])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4][O:6][H:18])[H:10])([H:7])([H:8])[H:9].[C:5]([H:14])([H:15])([H:16])[H:17],"InChI=1S/C5H12O/c1-4(2)5(3)6/h4-6H,1-3H3/t5-/m1/s1","InChI=1S/C4H8O.CH4/c1-4(2)3-5;/h4-5H,1-2H3;1H4",71.46030999999999,62.73143,
3908,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C@@:4]([C:5]([H:15])([H:16])[H:17])([O:6][H:18])[H:14])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]([H:11])[H:12])[H:10])([H:7])([H:8])[H:9].[C:4]([C:5]([H:15])([H:16])[H:17])(=[O:6])[H:14].[H:13][H:18],"InChI=1S/C5H12O/c1-4(2)5(3)6/h4-6H,1-3H3/t5-/m1/s1","InChI=1S/C3H6.C2H4O.H2/c1-3-2;1-2-3;/h3H,1H2,2H3;2H,1H3;1H",61.747569999999996,40.28085,
3909,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C@@:4]([C:5]([H:15])([H:16])[H:17])([O:6][H:18])[H:14])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([H:10])[H:14])([H:7])([H:8])[H:9].[C:4]([C:5]([H:15])([H:16])[H:17])[O:6][H:18],"InChI=1S/C5H12O/c1-4(2)5(3)6/h4-6H,1-3H3/t5-/m1/s1","InChI=1S/C3H8.C2H4O/c1-3-2;1-2-3/h3H2,1-2H3;3H,1H3",67.946,65.11569,
3910,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C@@:4]([C:5]([H:15])([H:16])[H:17])([O:6][H:18])[H:14])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4](=[C:5]([H:15])[H:17])[H:14])[H:10])([H:7])([H:8])[H:9].[O:6]([H:16])[H:18],"InChI=1S/C5H12O/c1-4(2)5(3)6/h4-6H,1-3H3/t5-/m1/s1","InChI=1S/C5H10.H2O/c1-4-5(2)3;/h4-5H,1H2,2-3H3;1H2",56.99247,13.49712,"1,3_Insertion_ROR"
3911,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C@@:4]([C:5]([H:15])([H:16])[H:17])([O:6][H:18])[H:14])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2][C@@:4]([C:5]([H:15])([H:16])[H:17])([O:6][H:18])[H:14])([H:7])([H:8])[H:9].[C:3]([H:10])([H:11])([H:12])[H:13],"InChI=1S/C5H12O/c1-4(2)5(3)6/h4-6H,1-3H3/t5-/m1/s1","InChI=1S/C4H8O.CH4/c1-3-4(2)5;/h4-5H,1-2H3;1H4/t4-;/m1./s1",82.11128000000001,89.15561,
3912,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C@@:4]([C:5]([H:15])([H:16])[H:17])([O:6][H:18])[H:14])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4]([C:5]([H:15])([H:16])[H:17])=[O:6])[H:10])([H:7])([H:8])[H:9].[H:14][H:18],"InChI=1S/C5H12O/c1-4(2)5(3)6/h4-6H,1-3H3/t5-/m1/s1","InChI=1S/C5H10O.H2/c1-4(2)5(3)6;/h4H,1-3H3;1H",74.00943000000001,13.23993,
3913,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C@@:4]([C:5]([H:15])([H:16])[H:17])([O:6][H:18])[H:14])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([O:6][H:18])[H:10])([H:7])([H:8])[H:9].[C:4]([C:5]([H:15])([H:16])[H:17])[H:14],"InChI=1S/C5H12O/c1-4(2)5(3)6/h4-6H,1-3H3/t5-/m1/s1","InChI=1S/C3H8O.C2H4/c1-3(2)4;1-2/h3-4H,1-2H3;1H,2H3",108.96236999999999,103.94265,
3914,[C:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[n:5][n:6]1)([H:7])([H:8])[H:9],[C:1]([N+:6]1=[C:2]=[C:3]([H:10])[N:4]([H:11])[N-:5]1)([H:7])([H:8])[H:9],"InChI=1S/C3H5N3/c1-3-2-4-6-5-3/h2H,1H3,(H,4,5,6)","InChI=1S/C3H5N3/c1-6-3-2-4-5-6/h2,4H,1H3",100.97036999999999,42.9071,
3915,[C:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[n:5][n:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]1=[C:3]([H:10])[N:6]1/[N:5]=[N:4]/[H:11])([H:7])([H:8])[H:9],"InChI=1S/C3H5N3/c1-3-2-4-6-5-3/h2H,1H3,(H,4,5,6)","InChI=1S/C3H5N3/c1-3-2-6(3)5-4/h2,4H,1H3/b5-4+",95.54002,90.23505,
3916,[C:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[n:5][n:6]1)([H:7])([H:8])[H:9],[C:1]([C-:2](/[C:3](=[N:4]/[H:11])[H:10])[N+:6]#[N:5])([H:7])([H:8])[H:9],"InChI=1S/C3H5N3/c1-3-2-4-6-5-3/h2H,1H3,(H,4,5,6)","InChI=1S/C3H5N3/c1-3(2-4)6-5/h2,4H,1H3/b4-2+",22.090239999999998,10.47127,
3917,[C:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[n:5][n:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]1=[N:6][N:5]=[N:4][C:3]1([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C3H5N3/c1-3-2-4-6-5-3/h2H,1H3,(H,4,5,6)","InChI=1S/C3H5N3/c1-3-2-4-6-5-3/h2H2,1H3",49.943490000000004,21.48797,
3918,[C:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[n:5][n:6]1)([H:7])([H:8])[H:9],[C:1]([c:2]1[c:3]([H:10])[n:4][n:5]([H:11])[n:6]1)([H:7])([H:8])[H:9],"InChI=1S/C3H5N3/c1-3-2-4-6-5-3/h2H,1H3,(H,4,5,6)","InChI=1S/C3H5N3/c1-3-2-4-6-5-3/h2H,1H3,(H,4,5,6)",42.81078,-7.5755,
3919,[C:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[n:5][n:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]1=[C:3]([H:10])[N:4]1[H:11])([H:7])([H:8])[H:9].[N:5]#[N:6],"InChI=1S/C3H5N3/c1-3-2-4-6-5-3/h2H,1H3,(H,4,5,6)","InChI=1S/C3H5N.N2/c1-3-2-4-3;1-2/h2,4H,1H3;",54.17592,33.75882,
3920,[C:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[n:5][n:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]1(/[C:3](=[N:4]/[H:11])[H:10])[N:5]=[N:6]1)([H:7])([H:8])[H:9],"InChI=1S/C3H5N3/c1-3-2-4-6-5-3/h2H,1H3,(H,4,5,6)","InChI=1S/C3H5N3/c1-3(2-4)5-6-3/h2,4H,1H3/b4-2+",58.91573,31.69405,
3921,[C:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[n:5][n:6]1)([H:7])([H:8])[H:9],[C:1]([N:6]=[C:2]=[C:3]([N:4]([N:5])[H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C3H5N3/c1-3-2-4-6-5-3/h2H,1H3,(H,4,5,6)","InChI=1S/C3H5N3/c1-5-2-3-6-4/h3,6H,1H3",119.39412,61.5223,
3922,[C:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[n:5][n:6]1)([H:7])([H:8])[H:9],[C:1]([C:3](=[C:2]=[N:6][N:5]=[N:4][H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C3H5N3/c1-3-2-4-6-5-3/h2H,1H3,(H,4,5,6)","InChI=1S/C3H5N3/c1-2-3-5-6-4/h2,4H,1H3",111.28995,50.64226,
3923,[C:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[n:5][n:6]1)([H:7])([H:8])[H:9],[C:1](=[C:2]1[C+:3]([H:10])[N:4]([H:11])[N-:5][N:6]1[H:7])([H:8])[H:9],"InChI=1S/C3H5N3/c1-3-2-4-6-5-3/h2H,1H3,(H,4,5,6)","InChI=1S/C3H5N3/c1-3-2-4-6-5-3/h2,4-5H,1H2",76.76264,39.70023,
3924,[C:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[n:5][n:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]#[C:3][H:10])([H:7])([H:8])[H:9].[N:4](=[N+:5]=[N-:6])[H:11],"InChI=1S/C3H5N3/c1-3-2-4-6-5-3/h2H,1H3,(H,4,5,6)","InChI=1S/C3H4.HN3/c2*1-3-2/h1H,2H3;1H",72.09626999999999,58.77997,
3925,[C:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[n:5][n:6]1)([H:7])([H:8])[H:9],[C:1](=[C:2]1[C:3]([H:7])([H:10])[N:4]([H:11])[N:5]=[N:6]1)([H:8])[H:9],"InChI=1S/C3H5N3/c1-3-2-4-6-5-3/h2H,1H3,(H,4,5,6)","InChI=1S/C3H5N3/c1-3-2-4-6-5-3/h1-2H2,(H,4,5)",93.81936999999999,25.32669,
3926,[C:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[n:5][n:6]1)([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]=[N:4][H:11])[H:10])([H:7])([H:8])[H:9].[N:5]#[N:6],"InChI=1S/C3H5N3/c1-3-2-4-6-5-3/h2H,1H3,(H,4,5,6)","InChI=1S/C3H5N.N2/c1-2-3-4;1-2/h2,4H,1H3;",51.50724,-17.82781,
3927,[C:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[n:5][n:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]1=[N:6][C@@:3]1([N:4]([N:5])[H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C3H5N3/c1-3-2-4-6-5-3/h2H,1H3,(H,4,5,6)","InChI=1S/C3H5N3/c1-2-3(5-2)6-4/h3,6H,1H3/t3-/m1/s1",95.55244,65.52285,
3928,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C@:5]1([O:6][H:16])[H:15])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:11])=[C:4]([H:14])[C@:5]1([O:6][H:16])[H:15])([H:7])([H:8])[H:9].[H:12][H:13],"InChI=1S/C5H10O/c1-4-2-3-5(4)6/h4-6H,2-3H2,1H3/t4-,5+/m0/s1","InChI=1S/C5H8O.H2/c1-4-2-3-5(4)6;/h2-6H,1H3;1H/t4-,5+;/m0./s1",111.48442,34.4255,
3929,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C@:5]1([O:6][H:16])[H:15])([H:7])([H:8])[H:9],[C:1]([C@@:2]([C:5]1([H:15])[C:3]([H:11])([H:12])[C:4]1([H:13])[H:14])([O:6][H:16])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-4-2-3-5(4)6/h4-6H,2-3H2,1H3/t4-,5+/m0/s1","InChI=1S/C5H10O/c1-4(6)5-2-3-5/h4-6H,2-3H2,1H3/t4-/m0/s1",76.67183,4.11875,
3930,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C@:5]1([O:6][H:16])[H:15])([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:14].[C@:2]12([H:10])[C:3]([H:11])([H:12])[C@@:4]1([H:13])[C@@:5]2([O:6][H:16])[H:15],"InChI=1S/C5H10O/c1-4-2-3-5(4)6/h4-6H,2-3H2,1H3/t4-,5+/m0/s1","InChI=1S/C4H6O.CH4/c5-4-2-1-3(2)4;/h2-5H,1H2;1H4/t2-,3+,4+;",132.52678,36.53516,
3931,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C@:5]1([O:6][H:16])[H:15])([H:7])([H:8])[H:9],[C:1]([C@@:2]([C:3][H:11])([C@@:5]([C:4]([H:12])([H:13])[H:14])([O:6][H:16])[H:15])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-4-2-3-5(4)6/h4-6H,2-3H2,1H3/t4-,5+/m0/s1","InChI=1S/C5H10O/c1-4(2)5(3)6/h1,4-6H,2-3H3/t4-,5-/m1/s1",76.24164,79.90982,
3932,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C@:5]1([O:6][H:16])[H:15])([H:7])([H:8])[H:9],[C:1](/[C:2](=[C:5](\[O:6][H:16])[H:15])[H:10])([H:7])([H:8])[H:9].[C:3](=[C:4]([H:13])[H:14])([H:11])[H:12],"InChI=1S/C5H10O/c1-4-2-3-5(4)6/h4-6H,2-3H2,1H3/t4-,5+/m0/s1","InChI=1S/C3H6O.C2H4/c1-2-3-4;1-2/h2-4H,1H3;1-2H2/b3-2-;",76.75357,13.974110000000001,
3933,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C@:5]1([O:6][H:16])[H:15])([H:7])([H:8])[H:9],[C:1]([C:2]([C@@:5]([C:4]([C:3][H:11])([H:13])[H:14])([O:6][H:16])[H:15])([H:10])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-4-2-3-5(4)6/h4-6H,2-3H2,1H3/t4-,5+/m0/s1","InChI=1S/C5H10O/c1-3-5(6)4-2/h1,5-6H,3-4H2,2H3/t5-/m1/s1",77.66826999999999,79.02954,
3934,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C@:5]1([O:6][H:16])[H:15])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:5]1([C:4]([O:6][H:16])([H:13])[H:14])[H:15])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-4-2-3-5(4)6/h4-6H,2-3H2,1H3/t4-,5+/m0/s1","InChI=1S/C5H10O/c1-4-2-5(4)3-6/h4-6H,2-3H2,1H3/t4-,5-/m0/s1",78.41402,4.52,
3935,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C@:5]1([O:6][H:16])[H:15])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C:5]1=[O:6])([H:7])([H:8])[H:9].[H:15][H:16],"InChI=1S/C5H10O/c1-4-2-3-5(4)6/h4-6H,2-3H2,1H3/t4-,5+/m0/s1","InChI=1S/C5H8O.H2/c1-4-2-3-5(4)6;/h4H,2-3H2,1H3;1H/t4-;/m0./s1",75.09801999999999,11.722439999999999,
3936,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C@:5]1([O:6][H:16])[H:15])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@@:4]1([C:5](=[O:6])[H:15])[H:14])([H:7])([H:8])[H:9].[H:13][H:16],"InChI=1S/C5H10O/c1-4-2-3-5(4)6/h4-6H,2-3H2,1H3/t4-,5+/m0/s1","InChI=1S/C5H8O.H2/c1-4-2-5(4)3-6;/h3-5H,2H2,1H3;1H/t4-,5+;/m0./s1",82.74831,17.30794,
3937,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C@:5]1([O:6][H:16])[H:15])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]([H:11])[H:12])[H:10])([H:7])([H:8])[H:9].[C:4](=[C:5]([O:6][H:16])[H:15])([H:13])[H:14],"InChI=1S/C5H10O/c1-4-2-3-5(4)6/h4-6H,2-3H2,1H3/t4-,5+/m0/s1","InChI=1S/C3H6.C2H4O/c1-3-2;1-2-3/h3H,1H2,2H3;2-3H,1H2",76.93454,14.68622,
3938,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C@:5]1([O:6][H:16])[H:15])([H:7])([H:8])[H:9],[C:1]([C@@:2]([C:3]([C:4]([H:13])([H:14])[H:16])([H:11])[H:12])([C:5](=[O:6])[H:15])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-4-2-3-5(4)6/h4-6H,2-3H2,1H3/t4-,5+/m0/s1","InChI=1S/C5H10O/c1-3-5(2)4-6/h4-5H,3H2,1-2H3/t5-/m0/s1",64.27358000000001,-15.00441,
3939,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C@:5]1([O:6][H:16])[H:15])([H:7])([H:8])[H:9],[C:1]1([H:7])([H:9])[C@:2]2([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C@:5]12[H:15].[O:6]([H:8])[H:16],"InChI=1S/C5H10O/c1-4-2-3-5(4)6/h4-6H,2-3H2,1H3/t4-,5+/m0/s1","InChI=1S/C5H8.H2O/c1-2-5-3-4(1)5;/h4-5H,1-3H2;1H2/t4-,5+;",87.85502,23.55319,
3940,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C@:5]1([O:6][H:16])[H:15])([H:7])([H:8])[H:9],[C:1]([C:2]1=[C:3]([H:11])[C:4]([H:13])([H:14])[C@:5]1([O:6][H:16])[H:15])([H:7])([H:8])[H:9].[H:10][H:12],"InChI=1S/C5H10O/c1-4-2-3-5(4)6/h4-6H,2-3H2,1H3/t4-,5+/m0/s1","InChI=1S/C5H8O.H2/c1-4-2-3-5(4)6;/h2,5-6H,3H2,1H3;1H/t5-;/m1./s1",111.6875,31.47314,
3941,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C@:5]1([O:6][H:16])[H:15])([H:7])([H:8])[H:9],[C:1](=[C:2]([C:3]([C:4]([C:5](=[O:6])[H:15])([H:13])[H:14])([H:11])[H:12])[H:10])([H:8])[H:9].[H:7][H:16],"InChI=1S/C5H10O/c1-4-2-3-5(4)6/h4-6H,2-3H2,1H3/t4-,5+/m0/s1","InChI=1S/C5H8O.H2/c1-2-3-4-5-6;/h2,5H,1,3-4H2;1H",48.26712,17.91357,
3942,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C@:5]1([O:6][H:16])[H:15])([H:7])([H:8])[H:9],[C:1]([C:2]1=[C:5]([H:15])[C:4]([H:13])([H:14])[C:3]1([H:11])[H:12])([H:7])([H:8])[H:9].[O:6]([H:10])[H:16],"InChI=1S/C5H10O/c1-4-2-3-5(4)6/h4-6H,2-3H2,1H3/t4-,5+/m0/s1","InChI=1S/C5H8.H2O/c1-5-3-2-4-5;/h3H,2,4H2,1H3;1H2",95.45004,13.41821,"1,3_Insertion_ROR"
3943,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C@:5]1([O:6][H:16])[H:15])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C@:3]2([H:11])[C:4]([H:13])([H:14])[C@:5]12[H:15])([H:7])([H:8])[H:9].[O:6]([H:12])[H:16],"InChI=1S/C5H10O/c1-4-2-3-5(4)6/h4-6H,2-3H2,1H3/t4-,5+/m0/s1","InChI=1S/C5H8.H2O/c1-3-4-2-5(3)4;/h3-5H,2H2,1H3;1H2/t3-,4-,5+;",93.01646,30.74727,
3944,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C@:5]1([O:6][H:16])[H:15])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])=[C:5]1[H:15])([H:7])([H:8])[H:9].[O:6]([H:14])[H:16],"InChI=1S/C5H10O/c1-4-2-3-5(4)6/h4-6H,2-3H2,1H3/t4-,5+/m0/s1","InChI=1S/C5H8.H2O/c1-5-3-2-4-5;/h2-3,5H,4H2,1H3;1H2/t5-;/m1./s1",62.875769999999996,17.0841,"1,3_Insertion_ROR"
3945,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C@:5]1([O:6][H:16])[H:15])([H:7])([H:8])[H:9],[C:1]([C:2][C@@:5]([C:4]([C:3]([H:10])([H:11])[H:12])([H:13])[H:14])([O:6][H:16])[H:15])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-4-2-3-5(4)6/h4-6H,2-3H2,1H3/t4-,5+/m0/s1","InChI=1S/C5H10O/c1-3-5(6)4-2/h5-6H,3H2,1-2H3/t5-/m1/s1",71.35238000000001,67.76047,
3946,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C@:5]1([O:6][H:16])[H:15])([H:7])([H:8])[H:9],[C:1](=[C:2]([C@:3]1([H:12])[C:4]([H:13])([H:14])[C@:5]1([O:6][H:16])[H:15])[H:10])([H:7])[H:8].[H:9][H:11],"InChI=1S/C5H10O/c1-4-2-3-5(4)6/h4-6H,2-3H2,1H3/t4-,5+/m0/s1","InChI=1S/C5H8O.H2/c1-2-4-3-5(4)6;/h2,4-6H,1,3H2;1H/t4-,5-;/m1./s1",96.39008000000001,32.49542,
3947,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C@:5]1([O:6][H:16])[H:15])([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:11].[C:2]1([H:10])=[C:3]([H:12])[C:4]([H:13])([H:14])[C@:5]1([O:6][H:16])[H:15],"InChI=1S/C5H10O/c1-4-2-3-5(4)6/h4-6H,2-3H2,1H3/t4-,5+/m0/s1","InChI=1S/C4H6O.CH4/c5-4-2-1-3-4;/h1-2,4-5H,3H2;1H4/t4-;/m0./s1",108.30667,23.56165,
3948,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C@:5]1([O:6][H:16])[H:15])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([C:4]([C:5][O:6][H:16])([H:13])[H:14])([H:11])[H:12])([H:10])[H:15])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-4-2-3-5(4)6/h4-6H,2-3H2,1H3/t4-,5+/m0/s1","InChI=1S/C5H10O/c1-2-3-4-5-6/h6H,2-4H2,1H3",55.28273000000001,42.22355,
3949,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C@:5]1([O:6][H:16])[H:15])([H:7])([H:8])[H:9],[C:1]([C:2]1([H:10])[C:3]([H:11])([H:12])[C:4]1([H:13])[H:14])([H:7])([H:8])[H:9].[C:5]([O:6][H:16])[H:15],"InChI=1S/C5H10O/c1-4-2-3-5(4)6/h4-6H,2-3H2,1H3/t4-,5+/m0/s1","InChI=1S/C4H8.CH2O/c1-4-2-3-4;1-2/h4H,2-3H2,1H3;1-2H",92.90389,80.04056,
3950,[C:1]([C@@:2]([O:3][H:10])([C:4](=[O:5])[H:11])[H:9])([H:6])([H:7])[H:8],[C-:4]#[O+:5].[C:1](=[C:2]([O:3][H:10])[H:9])([H:6])[H:7].[H:8][H:11],"InChI=1S/C3H6O2/c1-3(5)2-4/h2-3,5H,1H3/t3-/m1/s1","InChI=1S/C2H4O.CO.H2/c1-2-3;1-2;/h2-3H,1H2;;1H",60.83104,29.5662,
3951,[C:1]([C@@:2]([O:3][H:10])([C:4](=[O:5])[H:11])[H:9])([H:6])([H:7])[H:8],[C:1]([C@@:2]1([H:9])[O:3][C@:4]1([O:5][H:10])[H:11])([H:6])([H:7])[H:8],"InChI=1S/C3H6O2/c1-3(5)2-4/h2-3,5H,1H3/t3-/m1/s1","InChI=1S/C3H6O2/c1-2-3(4)5-2/h2-4H,1H3/t2-,3-/m1/s1",48.127340000000004,16.97201,
3952,[C:1]([C@@:2]([O:3][H:10])([C:4](=[O:5])[H:11])[H:9])([H:6])([H:7])[H:8],[C:1]([C@@:2]([O:3][H:10])([C:4][O:5][H:11])[H:9])([H:6])([H:7])[H:8],"InChI=1S/C3H6O2/c1-3(5)2-4/h2-3,5H,1H3/t3-/m1/s1","InChI=1S/C3H6O2/c1-3(5)2-4/h3-5H,1H3/t3-/m1/s1",80.36944,56.541219999999996,
3953,[C:1]([C@@:2]([O:3][H:10])([C:4](=[O:5])[H:11])[H:9])([H:6])([H:7])[H:8],[C:1]([C:2](=[O:3])[C:4]([O:5][H:10])([H:9])[H:11])([H:6])([H:7])[H:8],"InChI=1S/C3H6O2/c1-3(5)2-4/h2-3,5H,1H3/t3-/m1/s1","InChI=1S/C3H6O2/c1-3(5)2-4/h4H,2H2,1H3",31.79063,-4.65529,
3954,[C:1]([C@@:2]([O:3][H:10])([C:4](=[O:5])[H:11])[H:9])([H:6])([H:7])[H:8],[C:1](=[C:2]([C:4](=[O:5])[H:11])[H:9])([H:6])[H:7].[O:3]([H:8])[H:10],"InChI=1S/C3H6O2/c1-3(5)2-4/h2-3,5H,1H3/t3-/m1/s1","InChI=1S/C3H4O.H2O/c1-2-3-4;/h2-3H,1H2;1H2",61.028999999999996,14.54786,"1,3_Insertion_ROR"
3955,[C:1]([C@@:2]([O:3][H:10])([C:4](=[O:5])[H:11])[H:9])([H:6])([H:7])[H:8],[C:1]([C:2](=[O:3])[C:4](=[O:5])[H:11])([H:6])([H:7])[H:8].[H:9][H:10],"InChI=1S/C3H6O2/c1-3(5)2-4/h2-3,5H,1H3/t3-/m1/s1","InChI=1S/C3H4O2.H2/c1-3(5)2-4;/h2H,1H3;1H",85.55086,24.891560000000002,
3956,[C:1]([C@@:2]([O:3][H:10])([C:4](=[O:5])[H:11])[H:9])([H:6])([H:7])[H:8],[C:1]1([H:6])([H:7])[C@@:2]([O:3][H:10])([H:9])[C@@:4]1([O:5][H:8])[H:11],"InChI=1S/C3H6O2/c1-3(5)2-4/h2-3,5H,1H3/t3-/m1/s1","InChI=1S/C3H6O2/c4-2-1-3(2)5/h2-5H,1H2/t2-,3+",86.82874,21.590970000000002,
3957,[C:1]([C@@:2]([O:3][H:10])([C:4](=[O:5])[H:11])[H:9])([H:6])([H:7])[H:8],[C:1](/[C:2]([O:3][H:10])=[C:4](/[O:5][H:9])[H:11])([H:6])([H:7])[H:8],"InChI=1S/C3H6O2/c1-3(5)2-4/h2-3,5H,1H3/t3-/m1/s1","InChI=1S/C3H6O2/c1-3(5)2-4/h2,4-5H,1H3/b3-2-",56.692969999999995,2.61974,ketoenol
3958,[C:1]([C@@:2]([O:3][H:10])([C:4](=[O:5])[H:11])[H:9])([H:6])([H:7])[H:8],[C:1]([C:2]([O:3][H:10])=[C:4]=[O:5])([H:6])([H:7])[H:8].[H:9][H:11],"InChI=1S/C3H6O2/c1-3(5)2-4/h2-3,5H,1H3/t3-/m1/s1","InChI=1S/C3H4O2.H2/c1-3(5)2-4;/h5H,1H3;1H",62.78615,35.78794,
3959,[C:1]([C@@:2]([O:3][H:10])([C:4](=[O:5])[H:11])[H:9])([H:6])([H:7])[H:8],[C:1]([C:2](=[C:4]=[O:5])[H:9])([H:6])([H:7])[H:8].[O:3]([H:10])[H:11],"InChI=1S/C3H6O2/c1-3(5)2-4/h2-3,5H,1H3/t3-/m1/s1","InChI=1S/C3H4O.H2O/c1-2-3-4;/h2H,1H3;1H2",75.05655,11.08493,"1,3_Insertion_ROR"
3960,[C:1]([C@@:2]([O:3][H:10])([C:4](=[O:5])[H:11])[H:9])([H:6])([H:7])[H:8],[C:1]([O:5]/[C:4](=[C:2](\[O:3][H:10])[H:9])[H:11])([H:6])([H:7])[H:8],"InChI=1S/C3H6O2/c1-3(5)2-4/h2-3,5H,1H3/t3-/m1/s1","InChI=1S/C3H6O2/c1-5-3-2-4/h2-4H,1H3/b3-2-",88.12369,18.830170000000003,ketoenol
3961,[C:1]([C@@:2]([O:3][H:10])([C:4](=[O:5])[H:11])[H:9])([H:6])([H:7])[H:8],[C:1]([C:2]([C:4]([O:3][H:10])=[O:5])([H:9])[H:11])([H:6])([H:7])[H:8],"InChI=1S/C3H6O2/c1-3(5)2-4/h2-3,5H,1H3/t3-/m1/s1","InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)",92.48279000000001,-25.26634,
3962,[C:1]([C@@:2]([O:3][H:10])([C:4](=[O:5])[H:11])[H:9])([H:6])([H:7])[H:8],[C:1](/[C:2](=[C:4](\[O:5][O:3][H:10])[H:11])[H:9])([H:6])([H:7])[H:8],"InChI=1S/C3H6O2/c1-3(5)2-4/h2-3,5H,1H3/t3-/m1/s1","InChI=1S/C3H6O2/c1-2-3-5-4/h2-4H,1H3/b3-2-",95.6456,69.00761,ketoenol
3963,[O:1]=[C:2]([C:3]([C:4]([C:5](=[O:6])[H:12])([H:10])[H:11])([H:8])[H:9])[H:7],[O:1]([C:2]1=[O+:6][C-:5]([H:12])[C:4]([H:10])([H:11])[C:3]1([H:8])[H:9])[H:7],"InChI=1S/C4H6O2/c5-3-1-2-4-6/h3-4H,1-2H2","InChI=1S/C4H6O2/c5-4-2-1-3-6-4/h3,5H,1-2H2",93.35219000000001,52.87769,
3964,[O:1]=[C:2]([C:3]([C:4]([C:5](=[O:6])[H:12])([H:10])[H:11])([H:8])[H:9])[H:7],[O:1](/[C:2](=[C:3](\[C:4]([C:5](=[O:6])[H:12])([H:10])[H:11])[H:9])[H:7])[H:8],"InChI=1S/C4H6O2/c5-3-1-2-4-6/h3-4H,1-2H2","InChI=1S/C4H6O2/c5-3-1-2-4-6/h1,3-5H,2H2/b3-1-",45.738,1.34514,ketoenol
3965,[O:1]=[C:2]([C:3]([C:4]([C:5](=[O:6])[H:12])([H:10])[H:11])([H:8])[H:9])[H:7],[O:1]1[C@:2]2([H:7])[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C@@:5]1([H:12])[O:6]2,"InChI=1S/C4H6O2/c5-3-1-2-4-6/h3-4H,1-2H2","InChI=1S/C4H6O2/c1-2-4-5-3(1)6-4/h3-4H,1-2H2/t3-,4+",51.688629999999996,32.043459999999996,
3966,[O:1]=[C:2]([C:3]([C:4]([C:5](=[O:6])[H:12])([H:10])[H:11])([H:8])[H:9])[H:7],[O:1]=[C:2]([C:3]([H:7])([H:8])[H:9])[O:6][C:5](=[C:4]([H:10])[H:11])[H:12],"InChI=1S/C4H6O2/c5-3-1-2-4-6/h3-4H,1-2H2","InChI=1S/C4H6O2/c1-3-6-4(2)5/h3H,1H2,2H3",82.79583000000001,-1.01055,
3967,[O:1]=[C:2]([C:3]([C:4]([C:5](=[O:6])[H:12])([H:10])[H:11])([H:8])[H:9])[H:7],[O:1]([C@:2]1([H:7])[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5]1=[O:6])[H:12],"InChI=1S/C4H6O2/c5-3-1-2-4-6/h3-4H,1-2H2","InChI=1S/C4H6O2/c5-3-1-2-4(3)6/h3,5H,1-2H2/t3-/m1/s1",70.61399999999999,9.24249,
3968,[O:1]=[C:2]([C:3]([C:4]([C:5](=[O:6])[H:12])([H:10])[H:11])([H:8])[H:9])[H:7],[C:4](=[C:5]=[O:6])([H:10])[H:11].[O:1]=[C:2]([C:3]([H:8])([H:9])[H:12])[H:7],"InChI=1S/C4H6O2/c5-3-1-2-4-6/h3-4H,1-2H2","InChI=1S/C2H4O.C2H2O/c2*1-2-3/h2H,1H3;1H2",71.39495,15.73918,
3969,[O:1]=[C:2]([C:3]([C:4]([C:5](=[O:6])[H:12])([H:10])[H:11])([H:8])[H:9])[H:7],[O:1]([C:2](=[C:3]([H:8])[H:9])[H:7])[C:4]([C:5](=[O:6])[H:12])([H:10])[H:11],"InChI=1S/C4H6O2/c5-3-1-2-4-6/h3-4H,1-2H2","InChI=1S/C4H6O2/c1-2-6-4-3-5/h2-3H,1,4H2",72.74028,20.659,ketoenol
3970,[O:1]=[C:2]([C:3]([C:4]([C:5](=[O:6])[H:12])([H:10])[H:11])([H:8])[H:9])[H:7],[C:3](=[C:4]([C:5](=[O:6])[H:12])[H:11])([H:8])[H:9].[H:7][H:10].[O+:1]#[C-:2],"InChI=1S/C4H6O2/c5-3-1-2-4-6/h3-4H,1-2H2","InChI=1S/C3H4O.CO.H2/c1-2-3-4;1-2;/h2-3H,1H2;;1H",54.77612,29.052220000000002,
3971,[O:1]=[C:2]([C:3]([C:4]([C:5](=[O:6])[H:12])([H:10])[H:11])([H:8])[H:9])[H:7],[H:8][H:12].[O:1]1[C:2]([H:7])=[C:3]([H:9])[C:4]([H:10])([H:11])[C:5]1=[O:6],"InChI=1S/C4H6O2/c5-3-1-2-4-6/h3-4H,1-2H2","InChI=1S/C4H4O2.H2/c5-4-2-1-3-6-4;/h1,3H,2H2;1H",50.94101,9.25694,
3972,[O:1]=[C:2]([C:3]([C:4]([C:5](=[O:6])[H:12])([H:10])[H:11])([H:8])[H:9])[H:7],[O:1]([C:2]1([H:7])[C:3]([H:8])([H:9])[C:4]1([H:10])[H:11])[C:5](=[O:6])[H:12],"InChI=1S/C4H6O2/c5-3-1-2-4-6/h3-4H,1-2H2","InChI=1S/C4H6O2/c5-3-6-4-1-2-4/h3-4H,1-2H2",66.37961,10.71497,
3973,[O:1]=[C:2]([C:3]([C:4]([C:5](=[O:6])[H:12])([H:10])[H:11])([H:8])[H:9])[H:7],[O:1]([C:2](=[C:3]([H:8])[H:9])[H:7])[C@@:5]1([H:12])[C:4]([H:10])([H:11])[O:6]1,"InChI=1S/C4H6O2/c5-3-1-2-4-6/h3-4H,1-2H2","InChI=1S/C4H6O2/c1-2-5-4-3-6-4/h2,4H,1,3H2/t4-/m1/s1",87.82648,39.31023,
3974,[O:1]=[C:2]([C:3]([C:4]([C:5](=[O:6])[H:12])([H:10])[H:11])([H:8])[H:9])[H:7],[O:1]=[C:2]([O:6]/[C:5](=[C:4](\[C:3]([H:8])([H:9])[H:10])[H:11])[H:12])[H:7],"InChI=1S/C4H6O2/c5-3-1-2-4-6/h3-4H,1-2H2","InChI=1S/C4H6O2/c1-2-3-6-4-5/h2-4H,1H3/b3-2-",87.99061,0.49055,
3975,[O:1]=[C:2]([C:3]([C:4]([C:5](=[O:6])[H:12])([H:10])[H:11])([H:8])[H:9])[H:7],[O:1]([C:2]([C:3](=[C:4]([H:10])[H:11])[H:9])([H:7])[H:8])[C:5](=[O:6])[H:12],"InChI=1S/C4H6O2/c5-3-1-2-4-6/h3-4H,1-2H2","InChI=1S/C4H6O2/c1-2-3-6-4-5/h2,4H,1,3H2",65.74478,2.53416,
3976,[O:1]=[C:2]([C:3]([C:4]([C:5](=[O:6])[H:12])([H:10])[H:11])([H:8])[H:9])[H:7],[O+:1](=[C-:2][H:7])[C:3]([C:4]([C:5](=[O:6])[H:12])([H:10])[H:11])([H:8])[H:9],"InChI=1S/C4H6O2/c5-3-1-2-4-6/h3-4H,1-2H2","InChI=1S/C4H6O2/c1-6-4-2-3-5/h1,3H,2,4H2",114.05396,71.29531,
3977,[O:1]=[C:2]([C:3]([C:4]([C:5](=[O:6])[H:12])([H:10])[H:11])([H:8])[H:9])[H:7],[C:3](=[C:4]([H:10])[H:11])([H:8])[H:9].[O:1]=[C:2]([C:5](=[O:6])[H:12])[H:7],"InChI=1S/C4H6O2/c5-3-1-2-4-6/h3-4H,1-2H2",InChI=1S/C2H2O2.C2H4/c3-1-2-4;1-2/h1-2H;1-2H2,73.81606,31.5159,
3978,[O:1]=[C:2]([C:3]([C:4]([C:5](=[O:6])[H:12])([H:10])[H:11])([H:8])[H:9])[H:7],[H:10][H:12].[O:1]=[C:2]([C:3]([C:4](=[C:5]=[O:6])[H:11])([H:8])[H:9])[H:7],"InChI=1S/C4H6O2/c5-3-1-2-4-6/h3-4H,1-2H2","InChI=1S/C4H4O2.H2/c5-3-1-2-4-6;/h1,4H,2H2;1H",73.95482,25.83292,
3979,[O:1]=[C:2]([C:3]([C:4]([C:5](=[O:6])[H:12])([H:10])[H:11])([H:8])[H:9])[H:7],[C:3](=[C:4]([H:10])[H:11])([H:8])[H:9].[C:5](=[O:6])([H:7])[H:12].[O+:1]#[C-:2],"InChI=1S/C4H6O2/c5-3-1-2-4-6/h3-4H,1-2H2",InChI=1S/C2H4.CH2O.CO/c3*1-2/h1-2H2;1H2;,62.385659999999994,30.80981,
3980,[O:1]=[C:2]([C:3]([C:4]([C:5](=[O:6])[H:12])([H:10])[H:11])([H:8])[H:9])[H:7],[O:1]=[C:2]([C:3]([C:5]([C:4]([H:10])([H:11])[H:12])=[O:6])([H:8])[H:9])[H:7],"InChI=1S/C4H6O2/c5-3-1-2-4-6/h3-4H,1-2H2","InChI=1S/C4H6O2/c1-4(6)2-3-5/h3H,2H2,1H3",77.90966999999999,-4.75497,
3981,[O:1]=[C:2]([C:3]([C:4]([C:5](=[O:6])[H:12])([H:10])[H:11])([H:8])[H:9])[H:7],[O-:1][C:2]([C:3]([C:4]([C:5]#[O+:6])([H:10])[H:11])([H:8])[H:9])([H:7])[H:12],"InChI=1S/C4H6O2/c5-3-1-2-4-6/h3-4H,1-2H2",InChI=1S/C4H6O2/c5-3-1-2-4-6/h1-3H2,74.33025,59.230709999999995,
3982,[O:1]([C:2]([C:3]1([O:4][H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])([H:8])[H:9])[H:7],[O:1]([C:2]([C@:3]([O:4][H:10])([C:6](=[C:5]([H:11])[H:12])[H:14])[H:13])([H:8])[H:9])[H:7],"InChI=1S/C4H8O2/c5-3-4(6)1-2-4/h5-6H,1-3H2","InChI=1S/C4H8O2/c1-2-4(6)3-5/h2,4-6H,1,3H2/t4-/m1/s1",72.80048000000001,-3.37886,
3983,[O:1]([C:2]([C:3]1([O:4][H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])([H:8])[H:9])[H:7],[O:1]([C:2]([C:3]1=[C:5]([H:12])[C:6]1([H:13])[H:14])([H:8])[H:9])[H:7].[O:4]([H:10])[H:11],"InChI=1S/C4H8O2/c5-3-4(6)1-2-4/h5-6H,1-3H2","InChI=1S/C4H6O.H2O/c5-3-4-1-2-4;/h1,5H,2-3H2;1H2",72.18997,37.63029,
3984,[O:1]([C:2]([C:3]1([O:4][H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])([H:8])[H:9])[H:7],[O:1]([C:2]([C@:3]([O:4][H:10])([C:5]([C:6][H:14])([H:11])[H:12])[H:13])([H:8])[H:9])[H:7],"InChI=1S/C4H8O2/c5-3-4(6)1-2-4/h5-6H,1-3H2","InChI=1S/C4H8O2/c1-2-4(6)3-5/h1,4-6H,2-3H2/t4-/m1/s1",72.79504,79.38694,
3985,[O:1]([C:2]([C:3]1([O:4][H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])([H:8])[H:9])[H:7],[C:3]1(=[O:4])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14].[H:7][H:10].[O:1]=[C:2]([H:8])[H:9],"InChI=1S/C4H8O2/c5-3-4(6)1-2-4/h5-6H,1-3H2",InChI=1S/C3H4O.CH2O.H2/c4-3-1-2-3;1-2;/h1-2H2;1H2;1H,75.64737,49.154790000000006,
3986,[O:1]([C:2]([C:3]1([O:4][H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])([H:8])[H:9])[H:7],[C:3]1([O:4][H:10])=[C:6]([H:14])[C:5]1([H:11])[H:12].[H:7][H:13].[O:1]=[C:2]([H:8])[H:9],"InChI=1S/C4H8O2/c5-3-4(6)1-2-4/h5-6H,1-3H2","InChI=1S/C3H4O.CH2O.H2/c4-3-1-2-3;1-2;/h1,4H,2H2;1H2;1H",81.11771999999999,69.73158000000001,
3987,[O:1]([C:2]([C:3]1([O:4][H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])([H:8])[H:9])[H:7],[H:11][H:13].[O:1]([C:2]([C@@:5]1([H:12])[C:3]([O:4][H:10])=[C:6]1[H:14])([H:8])[H:9])[H:7],"InChI=1S/C4H8O2/c5-3-4(6)1-2-4/h5-6H,1-3H2","InChI=1S/C4H6O2.H2/c5-2-3-1-4(3)6;/h1,3,5-6H,2H2;1H/t3-;/m0./s1",153.93749,51.784240000000004,
3988,[O:1]([C:2]([C:3]1([O:4][H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])([H:8])[H:9])[H:7],[C:2]1([H:8])([H:9])[C:3](=[O:4])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14].[O:1]([H:7])[H:10],"InChI=1S/C4H8O2/c5-3-4(6)1-2-4/h5-6H,1-3H2",InChI=1S/C4H6O.H2O/c5-4-2-1-3-4;/h1-3H2;1H2,45.18589,-5.12509,
3989,[O:1]([C:2]([C:3]1([O:4][H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])([H:8])[H:9])[H:7],[O:1]([C:2](=[C:3]1[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])[H:8])[H:7].[O:4]([H:9])[H:10],"InChI=1S/C4H8O2/c5-3-4(6)1-2-4/h5-6H,1-3H2","InChI=1S/C4H6O.H2O/c5-3-4-1-2-4;/h3,5H,1-2H2;1H2",71.81586,16.663629999999998,"1,3_Insertion_ROR"
3990,[O:1]([C:2]([C:3]1([O:4][H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])([H:8])[H:9])[H:7],[O:1]([C:2](/[C:3]([O:4][H:10])=[C:6](/[C:5]([H:11])([H:12])[H:14])[H:13])([H:8])[H:9])[H:7],"InChI=1S/C4H8O2/c5-3-4(6)1-2-4/h5-6H,1-3H2","InChI=1S/C4H8O2/c1-2-4(6)3-5/h2,5-6H,3H2,1H3/b4-2-",66.87098,-13.98439,
3991,[O:1]([C:2]([C:3]1([O:4][H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])([H:8])[H:9])[H:7],[O:1]([C:2]([C:3](=[O:4])[C:6]([C:5]([H:7])([H:11])[H:12])([H:13])[H:14])([H:8])[H:9])[H:10],"InChI=1S/C4H8O2/c5-3-4(6)1-2-4/h5-6H,1-3H2","InChI=1S/C4H8O2/c1-2-4(6)3-5/h5H,2-3H2,1H3",41.18398,-22.518179999999997,
3992,[O:1]([C:2]([C:3]1([O:4][H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])([H:8])[H:9])[H:7],[C:2]([H:8])[H:9].[O:1]([C:3]1([O:4][H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])[H:7],"InChI=1S/C4H8O2/c5-3-4(6)1-2-4/h5-6H,1-3H2","InChI=1S/C3H6O2.CH2/c4-3(5)1-2-3;/h4-5H,1-2H2;1H2",117.13238,115.65985,
3993,[O:1]([C:2]([C:3]1([O:4][H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])([H:8])[H:9])[H:7],[O:1]([C:2]([C:5]([C:6]([C:3][O:4][H:10])([H:13])[H:14])([H:11])[H:12])([H:8])[H:9])[H:7],"InChI=1S/C4H8O2/c5-3-4(6)1-2-4/h5-6H,1-3H2","InChI=1S/C4H8O2/c5-3-1-2-4-6/h5-6H,1-3H2",81.34342,43.7339,
3994,[O:1]([C:2]([C:3]1([O:4][H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])([H:8])[H:9])[H:7],[O:1]=[C:2]([C:3]1([H:8])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])[H:9].[O:4]([H:7])[H:10],"InChI=1S/C4H8O2/c5-3-4(6)1-2-4/h5-6H,1-3H2","InChI=1S/C4H6O.H2O/c5-3-4-1-2-4;/h3-4H,1-2H2;1H2",61.465669999999996,0.33257,
3995,[O:1]([C:2]([C:3]1([O:4][H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])([H:8])[H:9])[H:7],[O:1]([C:2]([C:3][C:5]([C:6]([O:4][H:10])([H:13])[H:14])([H:11])[H:12])([H:8])[H:9])[H:7],"InChI=1S/C4H8O2/c5-3-4(6)1-2-4/h5-6H,1-3H2","InChI=1S/C4H8O2/c5-3-1-2-4-6/h5-6H,1,3-4H2",87.63875,67.3691,
3996,[O:1]([C:2]([C:3]1([O:4][H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])([H:8])[H:9])[H:7],[H:9][H:13].[O:1](/[C:2](=[C:3](\[O:4][H:10])[C:6](=[C:5]([H:11])[H:12])[H:14])[H:8])[H:7],"InChI=1S/C4H8O2/c5-3-4(6)1-2-4/h5-6H,1-3H2","InChI=1S/C4H6O2.H2/c1-2-4(6)3-5;/h2-3,5-6H,1H2;1H/b4-3-;",87.19542,14.692229999999999,
3997,[O:1]([C:2]([C:3]1([O:4][H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])([H:8])[H:9])[H:7],[C:3]1([O:4][H:10])([H:9])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14].[O:1]([C:2][H:8])[H:7],"InChI=1S/C4H8O2/c5-3-4(6)1-2-4/h5-6H,1-3H2","InChI=1S/C3H6O.CH2O/c4-3-1-2-3;1-2/h3-4H,1-2H2;1-2H",77.11848,81.25916,
3998,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@:4]1([C:5]#[N:6])[H:11])[H:7],[O:1](/[C:2](=[C:4](/[C:3]([H:9])([H:10])[H:11])[C:5]#[N:6])[H:8])[H:7],"InChI=1S/C4H5NO/c5-2-3-1-4(3)6/h3-4,6H,1H2/t3-,4-/m0/s1","InChI=1S/C4H5NO/c1-4(2-5)3-6/h3,6H,1H3/b4-3-",62.00476,-19.55998,
3999,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@:4]1([C:5]#[N:6])[H:11])[H:7],[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@:4]1([N+:6]#[C-:5])[H:11])[H:7],"InChI=1S/C4H5NO/c5-2-3-1-4(3)6/h3-4,6H,1H2/t3-,4-/m0/s1","InChI=1S/C4H5NO/c1-5-3-2-4(3)6/h3-4,6H,2H2/t3-,4+/m1/s1",59.87761,27.81022,
4000,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@:4]1([C:5]#[N:6])[H:11])[H:7],[O:1](/[C:2](=[C:3](/[C:4]([C:5]#[N:6])([H:9])[H:11])[H:10])[H:8])[H:7],"InChI=1S/C4H5NO/c5-2-3-1-4(3)6/h3-4,6H,1H2/t3-,4-/m0/s1","InChI=1S/C4H5NO/c5-3-1-2-4-6/h2,4,6H,1H2/b4-2+",71.70014,-7.722,
4001,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@:4]1([C:5]#[N:6])[H:11])[H:7],[O:1]([C:2]([C:3]([C+:4]=[C:5]=[N-:6])([H:9])[H:10])([H:8])[H:11])[H:7],"InChI=1S/C4H5NO/c5-2-3-1-4(3)6/h3-4,6H,1H2/t3-,4-/m0/s1","InChI=1S/C4H5NO/c5-3-1-2-4-6/h6H,2,4H2",63.20315,59.3728,
4002,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@:4]1([C:5]#[N:6])[H:11])[H:7],[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[N:6]=[C:5]=[C:4]1[H:11])[H:7],"InChI=1S/C4H5NO/c5-2-3-1-4(3)6/h3-4,6H,1H2/t3-,4-/m0/s1","InChI=1S/C4H5NO/c6-4-1-2-5-3-4/h1,4,6H,3H2/t4-/m1/s1",89.19935,59.22492,
4003,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@:4]1([C:5]#[N:6])[H:11])[H:7],[O:1]([C:2][C:3]([C:4]([C:5]#[N:6])([H:8])[H:11])([H:9])[H:10])[H:7],"InChI=1S/C4H5NO/c5-2-3-1-4(3)6/h3-4,6H,1H2/t3-,4-/m0/s1","InChI=1S/C4H5NO/c5-3-1-2-4-6/h6H,1-2H2",49.89241,39.99705,
4004,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@:4]1([C:5]#[N:6])[H:11])[H:7],[O:1]=[C:2]([C:3]([C@:4]1([H:11])[C:5]([H:7])=[N:6]1)([H:9])[H:10])[H:8],"InChI=1S/C4H5NO/c5-2-3-1-4(3)6/h3-4,6H,1H2/t3-,4-/m0/s1","InChI=1S/C4H5NO/c6-2-1-4-3-5-4/h2-4H,1H2/t4-/m1/s1",56.767759999999996,27.65336,
4005,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@:4]1([C:5]#[N:6])[H:11])[H:7],[O:1]([C@@:2]([C:3][H:9])([C:4]([C:5]#[N:6])([H:10])[H:11])[H:8])[H:7],"InChI=1S/C4H5NO/c5-2-3-1-4(3)6/h3-4,6H,1H2/t3-,4-/m0/s1","InChI=1S/C4H5NO/c1-4(6)2-3-5/h1,4,6H,2H2/t4-/m0/s1",72.89262,79.63831,
4006,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@:4]1([C:5]#[N:6])[H:11])[H:7],[C:2]1([H:8])=[C:4]([H:11])[C:3]1([H:9])[H:10].[O:1]([C:5]#[N:6])[H:7],"InChI=1S/C4H5NO/c5-2-3-1-4(3)6/h3-4,6H,1H2/t3-,4-/m0/s1","InChI=1S/C3H4.CHNO/c1-2-3-1;2-1-3/h1-2H,3H2;3H",80.60903,54.2197,
4007,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@:4]1([C:5]#[N:6])[H:11])[H:7],[O:1]([C:2](=[N+:6]=[C-:5][C:4](=[C:3]([H:9])[H:10])[H:11])[H:8])[H:7],"InChI=1S/C4H5NO/c5-2-3-1-4(3)6/h3-4,6H,1H2/t3-,4-/m0/s1","InChI=1S/C4H5NO/c1-2-3-5-4-6/h2,4,6H,1H2",59.4607,34.66605,
4008,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@:4]1([C:5]#[N:6])[H:11])[H:7],[O:1]=[C:2]([C:3]([C:4](=[C:5]=[N:6][H:7])[H:11])([H:9])[H:10])[H:8],"InChI=1S/C4H5NO/c5-2-3-1-4(3)6/h3-4,6H,1H2/t3-,4-/m0/s1","InChI=1S/C4H5NO/c5-3-1-2-4-6/h1,4-5H,2H2",21.669710000000002,4.4290400000000005,
4009,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@:4]1([C:5]#[N:6])[H:11])[H:7],[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]1=[C:5]=[N:6][H:11])[H:7],"InChI=1S/C4H5NO/c5-2-3-1-4(3)6/h3-4,6H,1H2/t3-,4-/m0/s1","InChI=1S/C4H5NO/c5-2-3-1-4(3)6/h4-6H,1H2/t4-/m0/s1",91.10441999999999,26.449279999999998,
4010,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@:4]1([C:5]#[N:6])[H:11])[H:7],[H:7][H:8].[O:1]=[C:2]1[C:3]([H:9])([H:10])[C@:4]1([C:5]#[N:6])[H:11],"InChI=1S/C4H5NO/c5-2-3-1-4(3)6/h3-4,6H,1H2/t3-,4-/m0/s1","InChI=1S/C4H3NO.H2/c5-2-3-1-4(3)6;/h3H,1H2;1H/t3-;/m0./s1",88.91506,31.128159999999998,
4011,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@:4]1([C:5]#[N:6])[H:11])[H:7],[C:2]1([H:8])=[C:3]([H:9])[C:4]1([C:5]#[N:6])[H:11].[O:1]([H:7])[H:10],"InChI=1S/C4H5NO/c5-2-3-1-4(3)6/h3-4,6H,1H2/t3-,4-/m0/s1","InChI=1S/C4H3N.H2O/c5-3-4-1-2-4;/h1-2,4H;1H2",70.61053000000001,36.531079999999996,
4012,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@:4]1([C:5]#[N:6])[H:11])[H:7],[O:1]([C@@:2]([C:3]([C:4][H:11])([H:9])[H:10])([C:5]#[N:6])[H:8])[H:7],"InChI=1S/C4H5NO/c5-2-3-1-4(3)6/h3-4,6H,1H2/t3-,4-/m0/s1","InChI=1S/C4H5NO/c1-2-4(6)3-5/h1,4,6H,2H2/t4-/m0/s1",82.52541,82.19721,
4013,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@:4]1([C:5]#[N:6])[H:11])[H:7],[H:8][H:9].[O:1]([C:2]1=[C:3]([H:10])[C@:4]1([C:5]#[N:6])[H:11])[H:7],"InChI=1S/C4H5NO/c5-2-3-1-4(3)6/h3-4,6H,1H2/t3-,4-/m0/s1","InChI=1S/C4H3NO.H2/c5-2-3-1-4(3)6;/h1,3,6H;1H/t3-;/m0./s1",113.90911000000001,47.86091,
4014,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@:4]1([C:5]#[N:6])[H:11])[H:7],[O:1]([C:2](/[C:3](=[C:4](\[C:5]#[N:6])[H:11])[H:10])([H:8])[H:9])[H:7],"InChI=1S/C4H5NO/c5-2-3-1-4(3)6/h3-4,6H,1H2/t3-,4-/m0/s1","InChI=1S/C4H5NO/c5-3-1-2-4-6/h1-2,6H,4H2/b2-1-",46.45714,-6.48332,
4015,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@:4]1([C:5]#[N:6])[H:11])[H:7],[H:8][H:11].[O:1]([C:2]1=[C:4]([C:5]#[N:6])[C:3]1([H:9])[H:10])[H:7],"InChI=1S/C4H5NO/c5-2-3-1-4(3)6/h3-4,6H,1H2/t3-,4-/m0/s1","InChI=1S/C4H3NO.H2/c5-2-3-1-4(3)6;/h6H,1H2;1H",104.85072,43.50744,
4016,[C:1](/[C:2](=[N:3]\[O:4][H:10])[C:5]#[C:6][H:11])([H:7])([H:8])[H:9],[C:1](/[C:2](=[N:3]\[O:4][H:10])[C:6](=[C:5])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-3-4(2)5-6/h1,6H,2H3/b5-4+","InChI=1S/C4H5NO/c1-3-4(2)5-6/h3,6H,2H3/b5-4+",51.05708,53.374159999999996,Singlet_Carbene_Intra_Disproportionation
4017,[C:1](/[C:2](=[N:3]\[O:4][H:10])[C:5]#[C:6][H:11])([H:7])([H:8])[H:9],[C:1]([C:6](=[C:5]=[C:2]=[N:3][O:4][H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-3-4(2)5-6/h1,6H,2H3/b5-4+","InChI=1S/C4H5NO/c1-2-3-4-5-6/h2,6H,1H3",100.96101999999999,3.91747,
4018,[C:1](/[C:2](=[N:3]\[O:4][H:10])[C:5]#[C:6][H:11])([H:7])([H:8])[H:9],[C:1]([C+:2]([N:3]([O-:4])[H:10])[C:5]#[C:6][H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-3-4(2)5-6/h1,6H,2H3/b5-4+","InChI=1S/C4H5NO/c1-3-4(2)5-6/h1,5H,2H3",46.16534,8.51707,
4019,[C:1](/[C:2](=[N:3]\[O:4][H:10])[C:5]#[C:6][H:11])([H:7])([H:8])[H:9],[C:1]([O:4][H:10])([H:7])([H:8])[H:9].[C:2](#[N:3])[C:5]#[C:6][H:11],"InChI=1S/C4H5NO/c1-3-4(2)5-6/h1,6H,2H3/b5-4+","InChI=1S/C3HN.CH4O/c1-2-3-4;1-2/h1H;2H,1H3",81.51760999999999,-10.12371,
4020,[C:1](/[C:2](=[N:3]\[O:4][H:10])[C:5]#[C:6][H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([N:3]=[O:4])=[C:5]=[C:6]([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-3-4(2)5-6/h1,6H,2H3/b5-4+","InChI=1S/C4H5NO/c1-3-4(2)5-6/h1H2,2H3",75.23719,10.1807,
4021,[C:1](/[C:2](=[N:3]\[O:4][H:10])[C:5]#[C:6][H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]([N:3]=[O:4])[C:5]#[C:6][H:11])([H:7])[H:8].[H:9][H:10],"InChI=1S/C4H5NO/c1-3-4(2)5-6/h1,6H,2H3/b5-4+","InChI=1S/C4H3NO.H2/c1-3-4(2)5-6;/h1H,2H2;1H",58.1051,51.31142,
4022,[C:1](/[C:2](=[N:3]\[O:4][H:10])[C:5]#[C:6][H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]([N:3]([O:4][H:10])[H:9])[C:5]#[C:6][H:11])([H:7])[H:8],"InChI=1S/C4H5NO/c1-3-4(2)5-6/h1,6H,2H3/b5-4+","InChI=1S/C4H5NO/c1-3-4(2)5-6/h1,5-6H,2H2",78.88761,15.18966,
4023,[N:1]([C:2](=[O:3])[C:4]([C:5]#[N:6])([H:9])[H:10])([H:7])[H:8],[N:1]([c:2]1[o:3][n:6][c:5]([H:9])[c:4]1[H:10])([H:7])[H:8],"InChI=1S/C3H4N2O/c4-2-1-3(5)6/h1H2,(H2,5,6)","InChI=1S/C3H4N2O/c4-3-1-2-5-6-3/h1-2H,4H2",78.29692,37.1849,
4024,[N:1]([C:2](=[O:3])[C:4]([C:5]#[N:6])([H:9])[H:10])([H:7])[H:8],[N:1]([C:2](=[O:3])[C:4]([N+:6]#[C-:5])([H:9])[H:10])([H:7])[H:8],"InChI=1S/C3H4N2O/c4-2-1-3(5)6/h1H2,(H2,5,6)","InChI=1S/C3H4N2O/c1-5-2-3(4)6/h2H2,(H2,4,6)",59.68601999999999,26.568340000000003,
4025,[N:1]([C:2](=[O:3])[C:4]([C:5]#[N:6])([H:9])[H:10])([H:7])[H:8],[N:1]([C:2]([O:3][C:5]#[N:6])=[C:4]([H:9])[H:10])([H:7])[H:8],"InChI=1S/C3H4N2O/c4-2-1-3(5)6/h1H2,(H2,5,6)","InChI=1S/C3H4N2O/c1-3(5)6-2-4/h1,5H2",78.32616999999999,41.33328,ketoenol
4026,[N:1]([C:2](=[O:3])[C:4]([C:5]#[N:6])([H:9])[H:10])([H:7])[H:8],[N:1]([C:2](=[O:3])[N:6]=[C:5]=[C:4]([H:9])[H:10])([H:7])[H:8],"InChI=1S/C3H4N2O/c4-2-1-3(5)6/h1H2,(H2,5,6)","InChI=1S/C3H4N2O/c1-2-5-3(4)6/h1H2,(H2,4,6)",69.4244,19.26389,
4027,[N:1]([C:2](=[O:3])[C:4]([C:5]#[N:6])([H:9])[H:10])([H:7])[H:8],[N:1](/[C:2]([O:3][H:9])=[C:4](\[C:5]#[N:6])[H:10])([H:7])[H:8],"InChI=1S/C3H4N2O/c4-2-1-3(5)6/h1H2,(H2,5,6)","InChI=1S/C3H4N2O/c4-2-1-3(5)6/h1,6H,5H2/b3-1+",51.36479,10.43543,ketoenol
4028,[N:1]([C:2](=[O:3])[C:4]([C:5]#[N:6])([H:9])[H:10])([H:7])[H:8],[C:2](=[O:3])=[C:4]([H:9])[H:10].[N:1]([C:5]#[N:6])([H:7])[H:8],"InChI=1S/C3H4N2O/c4-2-1-3(5)6/h1H2,(H2,5,6)",InChI=1S/C2H2O.CH2N2/c1-2-3;2-1-3/h1H2;2H2,79.83863000000001,39.610640000000004,
4029,[N:1]([C:2](=[O:3])[C:4]([C:5]#[N:6])([H:9])[H:10])([H:7])[H:8],[C:4](=[C:5]=[N:6][H:8])([H:9])[H:10].[N:1](=[C:2]=[O:3])[H:7],"InChI=1S/C3H4N2O/c4-2-1-3(5)6/h1H2,(H2,5,6)","InChI=1S/C2H3N.CHNO/c1-2-3;2-1-3/h3H,1H2;2H",44.37576,29.66013,Retroene
4030,[N:1]([C:2](=[O:3])[C:4]([C:5]#[N:6])([H:9])[H:10])([H:7])[H:8],[C:4]([C:5]#[N:6])([H:7])([H:9])[H:10].[N:1](=[C:2]=[O:3])[H:8],"InChI=1S/C3H4N2O/c4-2-1-3(5)6/h1H2,(H2,5,6)",InChI=1S/C2H3N.CHNO/c1-2-3;2-1-3/h1H3;2H,68.37847,8.977210000000001,
4031,[N:1]([C:2](=[O:3])[C:4]([C:5]#[N:6])([H:9])[H:10])([H:7])[H:8],[N:1]([C-:2]=[O+:3][C:4]([C:5]#[N:6])([H:9])[H:10])([H:7])[H:8],"InChI=1S/C3H4N2O/c4-2-1-3(5)6/h1H2,(H2,5,6)","InChI=1S/C3H4N2O/c4-1-2-6-3-5/h2,5H2",99.98003,59.55639,
4032,[N:1]([C:2](=[O:3])[C:4]([C:5]#[N:6])([H:9])[H:10])([H:7])[H:8],[C:5](#[N:6])[H:8].[N:1](=[C:2]1\[O:3][C:4]1([H:9])[H:10])\[H:7],"InChI=1S/C3H4N2O/c4-2-1-3(5)6/h1H2,(H2,5,6)","InChI=1S/C2H3NO.CHN/c3-2-1-4-2;1-2/h3H,1H2;1H/b3-2-;",78.42803,66.22263000000001,
4033,[N:1]([C:2](=[O:3])[C:4]([C:5]#[N:6])([H:9])[H:10])([H:7])[H:8],[N:1](=[C:2](/[O:3][H:8])[C:4]([C:5]#[N:6])([H:9])[H:10])\[H:7],"InChI=1S/C3H4N2O/c4-2-1-3(5)6/h1H2,(H2,5,6)","InChI=1S/C3H4N2O/c4-2-1-3(5)6/h1H2,(H2,5,6)",43.15569,10.71922,ketoenol
4034,[N:1]([C:2](=[O:3])[C:4]([C:5]#[N:6])([H:9])[H:10])([H:7])[H:8],[N:1]([C:2]1=[C:5]([N:6]=[O:3])[C:4]1([H:9])[H:10])([H:7])[H:8],"InChI=1S/C3H4N2O/c4-2-1-3(5)6/h1H2,(H2,5,6)","InChI=1S/C3H4N2O/c4-2-1-3(2)5-6/h1,4H2",142.55274,106.14074,
4035,[N:1]([C:2](=[O:3])[C:4]([C:5]#[N:6])([H:9])[H:10])([H:7])[H:8],[N:1]([C:2]([O:3][N+:6]#[C-:5])=[C:4]([H:9])[H:10])([H:7])[H:8],"InChI=1S/C3H4N2O/c4-2-1-3(5)6/h1H2,(H2,5,6)","InChI=1S/C3H4N2O/c1-3(4)6-5-2/h1,4H2",109.12998,103.00674000000001,
4036,[N:1]([C:2](=[O:3])[C:4]([C:5]#[N:6])([H:9])[H:10])([H:7])[H:8],[N:1]([C:5]([C:4]([C:2]#[O+:3])([H:9])[H:10])=[N-:6])([H:7])[H:8],"InChI=1S/C3H4N2O/c4-2-1-3(5)6/h1H2,(H2,5,6)","InChI=1S/C3H4N2O/c4-3(5)1-2-6/h1H2,(H2-,4,5)",186.54788,63.30684,
4037,[N:1]([C:2](=[O:3])[C:4]([C:5]#[N:6])([H:9])[H:10])([H:7])[H:8],[N:1]([C:2][C:4]([C:5]#[N+:6][O-:3])([H:9])[H:10])([H:7])[H:8],"InChI=1S/C3H4N2O/c4-2-1-3(5)6/h1H2,(H2,5,6)","InChI=1S/C3H4N2O/c4-2-1-3-5-6/h1,4H2",140.5986,112.9593,
4038,[N:1]([C:2](=[O:3])[C:4]([C:5]#[N:6])([H:9])[H:10])([H:7])[H:8],[H:7][H:9].[N:1](=[C:2]1\[O:3][C@:4]1([C:5]#[N:6])[H:10])\[H:8],"InChI=1S/C3H4N2O/c4-2-1-3(5)6/h1H2,(H2,5,6)","InChI=1S/C3H2N2O.H2/c4-1-2-3(5)6-2;/h2,5H;1H/b5-3-;/t2-;/m0./s1",95.39833,71.52201,
4039,[N:1]([C:2](=[O:3])[C:4]([C:5]#[N:6])([H:9])[H:10])([H:7])[H:8],[N:1]([C:2](=[O:3])[C:4](=[C:5]=[N:6][H:9])[H:10])([H:7])[H:8],"InChI=1S/C3H4N2O/c4-2-1-3(5)6/h1H2,(H2,5,6)","InChI=1S/C3H4N2O/c4-2-1-3(5)6/h1,4H,(H2,5,6)",76.38949000000001,15.057770000000001,
4040,[N:1]([c:2]1[c:3]([H:9])[o:4][c:5]([H:10])[n:6]1)([H:7])[H:8],[N:1]([C:2](=[C:3]([O-:4])[H:9])[N+:6]#[C:5][H:10])([H:7])[H:8],"InChI=1S/C3H4N2O/c4-3-1-6-2-5-3/h1-2H,4H2","InChI=1S/C3H4N2O/c1-5-3(4)2-6/h1-2H,4H2",41.35246,41.58918,
4041,[N:1]([c:2]1[c:3]([H:9])[o:4][c:5]([H:10])[n:6]1)([H:7])[H:8],[N:1]([C:2]1=[C:3]([H:9])[N:6]1[C:5](=[O:4])[H:10])([H:7])[H:8],"InChI=1S/C3H4N2O/c4-3-1-6-2-5-3/h1-2H,4H2","InChI=1S/C3H4N2O/c4-3-1-5(3)2-6/h1-2H,4H2",65.94324,66.8436,ketoenol
4042,[N:1]([c:2]1[c:3]([H:9])[o:4][c:5]([H:10])[n:6]1)([H:7])[H:8],[C:5](#[N:6])[H:10].[N:1]([C+:2]=[C:3]([O-:4])[H:9])([H:7])[H:8],"InChI=1S/C3H4N2O/c4-3-1-6-2-5-3/h1-2H,4H2","InChI=1S/C2H3NO.CHN/c3-1-2-4;1-2/h2H,3H2;1H",56.703509999999994,62.27071,
4043,[N:1]([c:2]1[c:3]([H:9])[o:4][c:5]([H:10])[n:6]1)([H:7])[H:8],[N:1]([c:2]1[c:3]([H:9])[o+:4][c-:5][n:6]1[H:10])([H:7])[H:8],"InChI=1S/C3H4N2O/c4-3-1-6-2-5-3/h1-2H,4H2","InChI=1S/C3H4N2O/c4-3-1-6-2-5-3/h1,5H,4H2",70.35403000000001,35.96841,
4044,[N:1]([c:2]1[c:3]([H:9])[o:4][c:5]([H:10])[n:6]1)([H:7])[H:8],[N:1]([C:2]#[N+:6][C-:5]([O+:4]=[C-:3][H:9])[H:10])([H:7])[H:8],"InChI=1S/C3H4N2O/c4-3-1-6-2-5-3/h1-2H,4H2","InChI=1S/C3H4N2O/c1-6-3-5-2-4/h1,3H,4H2",119.07563999999999,105.02135,
4045,[N:1]([c:2]1[c:3]([H:9])[o:4][c:5]([H:10])[n:6]1)([H:7])[H:8],[N-:1]([c:2]1[c:3]([H:9])[o+:4][c:5]([H:10])[n:6]1[H:8])[H:7],"InChI=1S/C3H4N2O/c4-3-1-6-2-5-3/h1-2H,4H2","InChI=1S/C3H4N2O/c4-3-1-6-2-5-3/h1-2,4-5H",57.89605,32.387570000000004,
4046,[N:1]([c:2]1[c:3]([H:9])[o:4][c:5]([H:10])[n:6]1)([H:7])[H:8],[N:1]([C:2]1=[N:6][C@:5]2([H:10])[C@@:3]1([H:9])[O:4]2)([H:7])[H:8],"InChI=1S/C3H4N2O/c4-3-1-6-2-5-3/h1-2H,4H2","InChI=1S/C3H4N2O/c4-2-1-3(5-2)6-1/h1,3H,(H2,4,5)/t1-,3-/m0/s1",80.64211999999999,59.41732,
4047,[N:1]([c:2]1[c:3]([H:9])[o:4][c:5]([H:10])[n:6]1)([H:7])[H:8],[N:1]([C:2]#[C:3][H:9])([H:7])[H:8].[O:4]=[C:5]=[N:6][H:10],"InChI=1S/C3H4N2O/c4-3-1-6-2-5-3/h1-2H,4H2","InChI=1S/C2H3N.CHNO/c1-2-3;2-1-3/h1H,3H2;2H",91.43330999999999,32.4958,
4048,[N:1]([c:2]1[c:3]([H:9])[o:4][c:5]([H:10])[n:6]1)([H:7])[H:8],[N:1]([C@@:2]1([H:9])[C-:3]=[O+:4][C:5]([H:10])=[N:6]1)([H:7])[H:8],"InChI=1S/C3H4N2O/c4-3-1-6-2-5-3/h1-2H,4H2","InChI=1S/C3H4N2O/c4-3-1-6-2-5-3/h2-3H,4H2/t3-/m1/s1",66.64197,64.50331,Singlet_Carbene_Intra_Disproportionation
4049,[N:1]([c:2]1[c:3]([H:9])[o:4][c:5]([H:10])[n:6]1)([H:7])[H:8],[N:1](=[C:2]1[C:3]([H:8])([H:9])[O:4][C:5]([H:10])=[N:6]1)[H:7],"InChI=1S/C3H4N2O/c4-3-1-6-2-5-3/h1-2H,4H2","InChI=1S/C3H4N2O/c4-3-1-6-2-5-3/h2,4H,1H2",66.911,2.72959,
4050,[N:1]([c:2]1[c:3]([H:9])[o:4][c:5]([H:10])[n:6]1)([H:7])[H:8],[N+:1]([c:2]1[c-:3][o:4][c:5]([H:10])[n:6]1)([H:7])([H:8])[H:9],"InChI=1S/C3H4N2O/c4-3-1-6-2-5-3/h1-2H,4H2","InChI=1S/C3H3N2O/c4-3-1-6-2-5-3/h2H,4H2/q-1/p+1",74.81859,67.23541,
4051,[N:1]([c:2]1[c:3]([H:9])[o:4][c:5]([H:10])[n:6]1)([H:7])[H:8],[N:1]([n+:6]1[c-:2][c:3]([H:9])[o:4][c:5]1[H:10])([H:7])[H:8],"InChI=1S/C3H4N2O/c4-3-1-6-2-5-3/h1-2H,4H2","InChI=1S/C3H4N2O/c4-5-1-2-6-3-5/h2-3H,4H2",131.09028,73.4266,
4052,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C@:3]2([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@:6]12[H:16],[C:1]1([H:7])([H:8])[C:2]([H:10])=[C:3]([H:9])[C@:6]1([C:5]([C:4]([H:11])([H:12])[H:13])([H:14])[H:15])[H:16],"InChI=1S/C6H10/c1-2-6-4-3-5(1)6/h5-6H,1-4H2/t5-,6+","InChI=1S/C6H10/c1-2-6-4-3-5-6/h3-4,6H,2,5H2,1H3/t6-/m1/s1",100.95506,-3.8860300000000003,
4053,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C@:3]2([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@:6]12[H:16],[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]([H:11])([H:16])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]1,"InChI=1S/C6H10/c1-2-6-4-3-5(1)6/h5-6H,1-4H2/t5-,6+",InChI=1S/C6H10/c1-2-4-6-5-3-1/h1-5H2,64.91498,45.44528,
4054,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C@:3]2([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@:6]12[H:16],[C:1]([C@@:6]1([H:16])[C@:3]([C:2][H:10])([H:11])[C:4]([H:12])([H:13])[C:5]1([H:14])[H:15])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-2-6-4-3-5(1)6/h5-6H,1-4H2/t5-,6+","InChI=1S/C6H10/c1-5-3-4-6(5)2/h1,5-6H,3-4H2,2H3/t5-,6+/m0/s1",75.97389,72.79160999999999,
4055,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C@:3]2([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@:6]12[H:16],[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C@@:3]2([H:11])[C:4]([H:12])([H:13])[C:5]([H:15])=[C:6]12.[H:14][H:16],"InChI=1S/C6H10/c1-2-6-4-3-5(1)6/h5-6H,1-4H2/t5-,6+","InChI=1S/C6H8.H2/c1-2-6-4-3-5(1)6;/h1,6H,2-4H2;1H/t6-;/m1./s1",109.03523,51.827870000000004,
4056,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C@:3]2([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@:6]12[H:16],[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]([H:11])=[C:6]1[H:16].[C:4](=[C:5]([H:14])[H:15])([H:12])[H:13],"InChI=1S/C6H10/c1-2-6-4-3-5(1)6/h5-6H,1-4H2/t5-,6+","InChI=1S/C4H6.C2H4/c1-2-4-3-1;1-2/h1-2H,3-4H2;1-2H2",87.37609,19.91788,
4057,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C@:3]2([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@:6]12[H:16],[C:1]([C:2]([H:9])([H:10])[H:11])([C@@:6]1([H:16])[C:3][C:4]([H:12])([H:13])[C:5]1([H:14])[H:15])([H:7])[H:8],"InChI=1S/C6H10/c1-2-6-4-3-5(1)6/h5-6H,1-4H2/t5-,6+","InChI=1S/C6H10/c1-2-6-4-3-5-6/h6H,2-4H2,1H3/t6-/m1/s1",71.0899,68.67841999999999,
4058,[O:1]=[c:2]1[n:3]([H:7])[n:4][n:5][o:6]1,[O-:1][c+:2]1[n-:3][n:4]([H:7])[n:5][o+:6]1,"InChI=1S/CHN3O2/c5-1-2-3-4-6-1/h(H,2,4,5)",InChI=1S/CHN3O2/c5-1-2-3-4-6-1/h3H,62.743680000000005,16.26996,
4059,[O:1]=[c:2]1[n:3]([H:7])[n:4][n:5][o:6]1,[N-:4]=[N+:5]=[O:6].[O:1]=[C:2]=[N:3][H:7],"InChI=1S/CHN3O2/c5-1-2-3-4-6-1/h(H,2,4,5)",InChI=1S/CHNO.N2O/c2-1-3;1-2-3/h2H;,27.767509999999998,-14.331560000000001,
4060,[O:1]=[c:2]1[n:3]([H:7])[n:4][n:5][o:6]1,[N:3](=[N+:4]=[N-:5])[H:7].[O:1]=[C:2]=[O:6],"InChI=1S/CHN3O2/c5-1-2-3-4-6-1/h(H,2,4,5)",InChI=1S/CO2.HN3/c2-1-3;1-3-2/h;1H,9.06064,-26.440579999999997,
4061,[O:1]=[c:2]1[n:3]([H:7])[n:4][n:5][o:6]1,[N:4]#[N:5].[O:1]1[C:2](=[N:3][H:7])[O:6]1,"InChI=1S/CHN3O2/c5-1-2-3-4-6-1/h(H,2,4,5)",InChI=1S/CHNO2.N2/c2-1-3-4-1;1-2/h2H;,55.046009999999995,21.85148,
4062,[C:1]([C@@:2]1([H:10])[N:3]([H:11])[C@:4]1([C:5]([O:6][H:15])([H:13])[H:14])[H:12])([H:7])([H:8])[H:9],[C:1](/[C:2](=[N:3]/[C:4]([C:5]([O:6][H:15])([H:13])[H:14])([H:11])[H:12])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-3-4(2-6)5-3/h3-6H,2H2,1H3/t3-,4+/m1/s1","InChI=1S/C4H9NO/c1-2-5-3-4-6/h2,6H,3-4H2,1H3/b5-2+",62.671459999999996,-12.33197,
4063,[C:1]([C@@:2]1([H:10])[N:3]([H:11])[C@:4]1([C:5]([O:6][H:15])([H:13])[H:14])[H:12])([H:7])([H:8])[H:9],[C:1]([C-:2]([N:3]([C+:4]([C:5]([O:6][H:15])([H:13])[H:14])[H:12])[H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-3-4(2-6)5-3/h3-6H,2H2,1H3/t3-,4+/m1/s1","InChI=1S/C4H9NO/c1-2-5-3-4-6/h2-3,5-6H,4H2,1H3",41.43735,24.87669,
4064,[C:1]([C@@:2]1([H:10])[N:3]([H:11])[C@:4]1([C:5]([O:6][H:15])([H:13])[H:14])[H:12])([H:7])([H:8])[H:9],[C:1](/[C:2](=[C:4](\[N:3]([H:11])[H:15])[H:12])[H:10])([H:7])([H:8])[H:9].[C:5](=[O:6])([H:13])[H:14],"InChI=1S/C4H9NO/c1-3-4(2-6)5-3/h3-6H,2H2,1H3/t3-,4+/m1/s1","InChI=1S/C3H7N.CH2O/c1-2-3-4;1-2/h2-3H,4H2,1H3;1H2/b3-2-;",51.94492,4.43749,
4065,[C:1]([C@@:2]1([H:10])[N:3]([H:11])[C@:4]1([C:5]([O:6][H:15])([H:13])[H:14])[H:12])([H:7])([H:8])[H:9],[C:1]1([H:7])([H:9])[C@:2]2([H:10])[N:3]([H:11])[C@:4]2([H:12])[C:5]1([H:13])[H:14].[O:6]([H:8])[H:15],"InChI=1S/C4H9NO/c1-3-4(2-6)5-3/h3-6H,2H2,1H3/t3-,4+/m1/s1","InChI=1S/C4H7N.H2O/c1-2-4-3(1)5-4;/h3-5H,1-2H2;1H2/t3-,4+;",82.64572,26.14767,
4066,[C:1]([C@@:2]1([H:10])[N:3]([H:11])[C@:4]1([C:5]([O:6][H:15])([H:13])[H:14])[H:12])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[N+:3]([C:5]([O:6][H:15])([H:13])[H:14])([H:11])[C-:4]1[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-3-4(2-6)5-3/h3-6H,2H2,1H3/t3-,4+/m1/s1","InChI=1S/C4H9NO/c1-4-2-5(4)3-6/h2,4-6H,3H2,1H3/t4-/m1/s1",93.80327,60.53705,
4067,[C:1]([C@@:2]1([H:10])[N:3]([H:11])[C@:4]1([C:5]([O:6][H:15])([H:13])[H:14])[H:12])([H:7])([H:8])[H:9],[C:1]([C@@:2]([N:3]([H:11])[H:15])([C:4]([C:5](=[O:6])[H:13])([H:12])[H:14])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-3-4(2-6)5-3/h3-6H,2H2,1H3/t3-,4+/m1/s1","InChI=1S/C4H9NO/c1-4(5)2-3-6/h3-4H,2,5H2,1H3/t4-/m1/s1",39.073679999999996,-18.863229999999998,
4068,[C:1]([C@@:2]1([H:10])[N:3]([H:11])[C@:4]1([C:5]([O:6][H:15])([H:13])[H:14])[H:12])([H:7])([H:8])[H:9],[C:1]([N+:3]1([H:11])[C-:2]([H:10])[C@@:4]1([C:5]([O:6][H:15])([H:13])[H:14])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-3-4(2-6)5-3/h3-6H,2H2,1H3/t3-,4+/m1/s1","InChI=1S/C4H9NO/c1-5-2-4(5)3-6/h2,4-6H,3H2,1H3/t4-/m1/s1",100.97341999999999,63.00943,
4069,[C:1]([C@@:2]1([H:10])[N:3]([H:11])[C@:4]1([C:5]([O:6][H:15])([H:13])[H:14])[H:12])([H:7])([H:8])[H:9],[C:1]([C:2](/[N:3]=[C:4](/[C:5]([O:6][H:15])([H:13])[H:14])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-3-4(2-6)5-3/h3-6H,2H2,1H3/t3-,4+/m1/s1","InChI=1S/C4H9NO/c1-2-5-3-4-6/h3,6H,2,4H2,1H3/b5-3+",60.625840000000004,-12.691139999999999,
4070,[C:1]([C@@:2]1([H:10])[N:3]([H:11])[C@:4]1([C:5]([O:6][H:15])([H:13])[H:14])[H:12])([H:7])([H:8])[H:9],[C:1]([C:2][N:3]([C:4]([C:5]([O:6][H:15])([H:13])[H:14])([H:10])[H:12])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-3-4(2-6)5-3/h3-6H,2H2,1H3/t3-,4+/m1/s1","InChI=1S/C4H9NO/c1-2-5-3-4-6/h5-6H,3-4H2,1H3",68.85461,33.02534,
4071,[C:1]([C@@:2]1([H:10])[N:3]([H:11])[C@:4]1([C:5]([O:6][H:15])([H:13])[H:14])[H:12])([H:7])([H:8])[H:9],[C:1]([C@@:2]([N:3]([C:4][H:12])[H:11])([C:5]([O:6][H:15])([H:13])[H:14])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-3-4(2-6)5-3/h3-6H,2H2,1H3/t3-,4+/m1/s1","InChI=1S/C4H9NO/c1-4(3-6)5-2/h2,4-6H,3H2,1H3/t4-/m1/s1",94.26264,27.853620000000003,
4072,[C:1]([C@@:2]1([H:10])[N:3]([H:11])[C@:4]1([C:5]([O:6][H:15])([H:13])[H:14])[H:12])([H:7])([H:8])[H:9],[C:1]([C:2]([N:3]([C:4][C:5]([O:6][H:15])([H:13])[H:14])[H:11])([H:10])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-3-4(2-6)5-3/h3-6H,2H2,1H3/t3-,4+/m1/s1","InChI=1S/C4H9NO/c1-2-5-3-4-6/h5-6H,2,4H2,1H3",65.8877,32.46561,
4073,[C:1]([C@@:2]1([H:10])[N:3]([H:11])[C@:4]1([C:5]([O:6][H:15])([H:13])[H:14])[H:12])([H:7])([H:8])[H:9],[C:1]([C:2][C@@:4]([N:3]([H:10])[H:11])([C:5]([O:6][H:15])([H:13])[H:14])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-3-4(2-6)5-3/h3-6H,2H2,1H3/t3-,4+/m1/s1","InChI=1S/C4H9NO/c1-2-4(5)3-6/h4,6H,3,5H2,1H3/t4-/m1/s1",71.5641,64.69984000000001,
4074,[C:1]([C@@:2]1([H:10])[N:3]([H:11])[C@:4]1([C:5]([O:6][H:15])([H:13])[H:14])[H:12])([H:7])([H:8])[H:9],[C-:2]1([H:10])[N:3]([H:11])[C@:4]1([C+:5]([O:6][H:15])[H:13])[H:12].[C:1]([H:7])([H:8])([H:9])[H:14],"InChI=1S/C4H9NO/c1-3-4(2-6)5-3/h3-6H,2H2,1H3/t3-,4+/m1/s1",InChI=1S/C3H5NO.CH4/c5-2-3-1-4-3;/h1-5H;1H4/t3-;/m1./s1,95.60446999999999,78.11193,
4075,[C:1]([C@@:2]1([H:10])[N:3]([H:11])[C@:4]1([C:5]([O:6][H:15])([H:13])[H:14])[H:12])([H:7])([H:8])[H:9],[C+:2]1([H:10])[N:3]([H:11])[C@:4]1([C:5]([O-:6])([H:13])[H:14])[H:12].[C:1]([H:7])([H:8])([H:9])[H:15],"InChI=1S/C4H9NO/c1-3-4(2-6)5-3/h3-6H,2H2,1H3/t3-,4+/m1/s1","InChI=1S/C3H5NO.CH4/c5-2-3-1-4-3;/h1,3-4H,2H2;1H4/t3-;/m1./s1",85.28833,88.3524,
4076,[C:1]([C@@:2]1([H:10])[N:3]([H:11])[C@:4]1([C:5]([O:6][H:15])([H:13])[H:14])[H:12])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[N:3]([H:11])[C:4]1=[C:5]([H:13])[H:14])([H:7])([H:8])[H:9].[O:6]([H:12])[H:15],"InChI=1S/C4H9NO/c1-3-4(2-6)5-3/h3-6H,2H2,1H3/t3-,4+/m1/s1","InChI=1S/C4H7N.H2O/c1-3-4(2)5-3;/h4-5H,1H2,2H3;1H2/t4-;/m1./s1",71.18278000000001,18.069760000000002,"1,3_Insertion_ROR"
4077,[C:1]([C@@:2]1([H:10])[N:3]([H:11])[C@:4]1([C:5]([O:6][H:15])([H:13])[H:14])[H:12])([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:10].[C:2]1[N:3]([H:11])[C@:4]1([C:5]([O:6][H:15])([H:13])[H:14])[H:12],"InChI=1S/C4H9NO/c1-3-4(2-6)5-3/h3-6H,2H2,1H3/t3-,4+/m1/s1","InChI=1S/C3H5NO.CH4/c5-2-3-1-4-3;/h3-5H,2H2;1H4/t3-;/m1./s1",81.25685,63.77279,
4078,[C:1]([c:2]1[c:3]([H:10])[n:4][c:5]([H:11])[o:6]1)([H:7])([H:8])[H:9],[C:1](=[C:2]1[C:3]([H:10])=[N:4][C:5]([H:9])([H:11])[O:6]1)([H:7])[H:8],"InChI=1S/C4H5NO/c1-4-2-5-3-6-4/h2-3H,1H3","InChI=1S/C4H5NO/c1-4-2-5-3-6-4/h2H,1,3H2",84.51422,16.863789999999998,
4079,[C:1]([c:2]1[c:3]([H:10])[n:4][c:5]([H:11])[o:6]1)([H:7])([H:8])[H:9],[C:1]([C@@:3]1([H:10])[C-:2]=[O+:6][C:5]([H:11])=[N:4]1)([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-4-2-5-3-6-4/h2-3H,1H3","InChI=1S/C4H5NO/c1-4-2-6-3-5-4/h3-4H,1H3/t4-/m0/s1",77.93916,60.750080000000004,
4080,[C:1]([c:2]1[c:3]([H:10])[n:4][c:5]([H:11])[o:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]1=[C:3]([H:10])[N:4]1[C:5](=[O:6])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-4-2-5-3-6-4/h2-3H,1H3","InChI=1S/C4H5NO/c1-4-2-5(4)3-6/h2-3H,1H3",70.19174,69.34662,ketoenol
4081,[C:1]([c:2]1[c:3]([H:10])[n:4][c:5]([H:11])[o:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]([C@:3]1([H:10])[N:4]=[C:5]1[H:11])=[O:6])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-4-2-5-3-6-4/h2-3H,1H3","InChI=1S/C4H5NO/c1-3(6)4-2-5-4/h2,4H,1H3/t4-/m1/s1",79.16337,40.20856,ketoenol
4082,[C:1]([c:2]1[c:3]([H:10])[n:4][c:5]([H:11])[o:6]1)([H:7])([H:8])[H:9],[C:1]([c:2]1[c-:3][n:4]([H:10])[c:5]([H:11])[o+:6]1)([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-4-2-5-3-6-4/h2-3H,1H3","InChI=1S/C4H5NO/c1-4-2-5-3-6-4/h3,5H,1H3",85.77465,50.5163,
4083,[C:1]([c:2]1[c:3]([H:10])[n:4][c:5]([H:11])[o:6]1)([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]=[N:4][C:5](=[O:6])[H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-4-2-5-3-6-4/h2-3H,1H3","InChI=1S/C4H5NO/c1-2-3-5-4-6/h2,4H,1H3",71.7295,23.7264,
4084,[C:1]([c:2]1[c:3]([H:10])[n:4][c:5]([H:11])[o:6]1)([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]([N+:4]#[C:5][H:11])[H:10])[O-:6])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-4-2-5-3-6-4/h2-3H,1H3","InChI=1S/C4H5NO/c1-4(6)3-5-2/h2-3H,1H3",36.95299,36.96503,
4085,[C:1]([c:2]1[c:3]([H:10])[n:4][c:5]([H:11])[o:6]1)([H:7])([H:8])[H:9],[C:1]([C:3](=[C:2]=[O:6])[H:10])([H:7])([H:8])[H:9].[N:4]#[C:5][H:11],"InChI=1S/C4H5NO/c1-4-2-5-3-6-4/h2-3H,1H3","InChI=1S/C3H4O.CHN/c1-2-3-4;1-2/h2H,1H3;1H",84.40964,30.35623,
4086,[C:1]([c:2]1[c:3]([H:10])[n:4][c:5]([H:11])[o:6]1)([H:7])([H:8])[H:9],[C:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c-:5][o+:6]1)([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-4-2-5-3-6-4/h2-3H,1H3","InChI=1S/C4H5NO/c1-4-2-5-3-6-4/h2,5H,1H3",69.08995,32.71958,
4087,[C:1]([c:2]1[c:3]([H:10])[n:4][c:5]([H:11])[o:6]1)([H:7])([H:8])[H:9],[C:1](=[C:2]1[C:3]([H:9])([H:10])[N:4]=[C:5]([H:11])[O:6]1)([H:7])[H:8],"InChI=1S/C4H5NO/c1-4-2-5-3-6-4/h2-3H,1H3","InChI=1S/C4H5NO/c1-4-2-5-3-6-4/h3H,1-2H2",81.26704000000001,15.51711,
4088,[C:1]([c:2]1[c:3]([H:10])[n:4][c:5]([H:11])[o:6]1)([H:7])([H:8])[H:9],[C:1](=[C:2](/[C:3](=[N:4]\[C:5](=[O:6])[H:11])[H:10])[H:8])([H:7])[H:9],"InChI=1S/C4H5NO/c1-4-2-5-3-6-4/h2-3H,1H3","InChI=1S/C4H5NO/c1-2-3-5-4-6/h2-4H,1H2/b5-3-",79.8032,20.188779999999998,
4089,[C:1]([c:2]1[c:3]([H:10])[n:4][c:5]([H:11])[o:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]#[C:3][H:10])([H:7])([H:8])[H:9].[N:4]=[C:5]([O:6])[H:11],"InChI=1S/C4H5NO/c1-4-2-5-3-6-4/h2-3H,1H3","InChI=1S/C3H4.CHNO/c1-3-2;2-1-3/h1H,2H3;1H",117.99423,116.38538999999999,
4090,[C:1]([c:2]1[c:3]([H:10])[n:4][c:5]([H:11])[o:6]1)([H:7])([H:8])[H:9],[C:1]([C:2](=[C+:3][H:10])[O-:6])([H:7])([H:8])[H:9].[N:4]#[C:5][H:11],"InChI=1S/C4H5NO/c1-4-2-5-3-6-4/h2-3H,1H3","InChI=1S/C3H4O.CHN/c1-3(2)4;1-2/h1H,2H3;1H",93.07973,96.65335999999999,
4091,[C:1]([c:2]1[c:3]([H:10])[n:4][c:5]([H:11])[o:6]1)([H:7])([H:8])[H:9],[C:1]([C@:2]1([H:10])[C-:3]=[N+:4]=[C:5]([H:11])[O:6]1)([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-4-2-5-3-6-4/h2-3H,1H3","InChI=1S/C4H5NO/c1-4-2-5-3-6-4/h3-4H,1H3/t4-/m1/s1",75.57653,67.74021,Singlet_Carbene_Intra_Disproportionation
4092,[C:1]([c:2]1[c:3]([H:10])[n:4][c:5]([H:11])[o:6]1)([H:7])([H:8])[H:9],[C:1](=[C:2]1[C-:3]=[N+:4]=[C:5]([H:11])[O:6]1)([H:7])[H:8].[H:9][H:10],"InChI=1S/C4H5NO/c1-4-2-5-3-6-4/h2-3H,1H3","InChI=1S/C4H3NO.H2/c1-4-2-5-3-6-4;/h3H,1H2;1H",112.57179,97.72567,
4093,[O:1]([C:2]([C:3]([C:4]([C:5]#[N:6])([H:12])[H:13])([H:10])[H:11])([H:8])[H:9])[H:7],[C:3](=[C:4]([H:12])[H:13])([H:10])[H:11].[C:5](#[N:6])[H:7].[O:1]=[C:2]([H:8])[H:9],"InChI=1S/C4H7NO/c5-3-1-2-4-6/h6H,1-2,4H2",InChI=1S/C2H4.CHN.CH2O/c3*1-2/h1-2H2;1H;1H2,64.62306,47.281040000000004,
4094,[O:1]([C:2]([C:3]([C:4]([C:5]#[N:6])([H:12])[H:13])([H:10])[H:11])([H:8])[H:9])[H:7],[O:1]([C@@:2]1([H:8])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5][N:6]1[H:9])[H:7],"InChI=1S/C4H7NO/c5-3-1-2-4-6/h6H,1-2,4H2","InChI=1S/C4H7NO/c6-4-2-1-3-5-4/h4-6H,1-2H2/t4-/m0/s1",77.71032,41.947109999999995,
4095,[O:1]([C:2]([C:3]([C:4]([C:5]#[N:6])([H:12])[H:13])([H:10])[H:11])([H:8])[H:9])[H:7],[C:2]1([H:8])([H:9])[C:3]([H:10])([H:11])[C:4]1([C:5]#[N:6])[H:13].[O:1]([H:7])[H:12],"InChI=1S/C4H7NO/c5-3-1-2-4-6/h6H,1-2,4H2","InChI=1S/C4H5N.H2O/c5-3-4-1-2-4;/h4H,1-2H2;1H2",74.15914000000001,16.71115,
4096,[O:1]([C:2]([C:3]([C:4]([C:5]#[N:6])([H:12])[H:13])([H:10])[H:11])([H:8])[H:9])[H:7],[C:3](=[C:4]([C:5]#[N:6])[H:13])([H:10])[H:11].[H:7][H:12].[O:1]=[C:2]([H:8])[H:9],"InChI=1S/C4H7NO/c5-3-1-2-4-6/h6H,1-2,4H2","InChI=1S/C3H3N.CH2O.H2/c1-2-3-4;1-2;/h2H,1H2;1H2;1H",66.01799,46.68319,
4097,[O:1]([C:2]([C:3]([C:4]([C:5]#[N:6])([H:12])[H:13])([H:10])[H:11])([H:8])[H:9])[H:7],[O:1]([C:2]([C:3]([C:4]([N+:6]#[C-:5])([H:12])[H:13])([H:10])[H:11])([H:8])[H:9])[H:7],"InChI=1S/C4H7NO/c5-3-1-2-4-6/h6H,1-2,4H2","InChI=1S/C4H7NO/c1-5-3-2-4-6/h6H,2-4H2",57.00439,26.063860000000002,
4098,[O:1]([C:2]([C:3]([C:4]([C:5]#[N:6])([H:12])[H:13])([H:10])[H:11])([H:8])[H:9])[H:7],[O:1]([C:2]([C:3]([C:4](=[C:5]=[N:6][H:12])[H:13])([H:10])[H:11])([H:8])[H:9])[H:7],"InChI=1S/C4H7NO/c5-3-1-2-4-6/h6H,1-2,4H2","InChI=1S/C4H7NO/c5-3-1-2-4-6/h1,5-6H,2,4H2",73.49723,18.38562,
4099,[O:1]([C:2]([C:3]([C:4]([C:5]#[N:6])([H:12])[H:13])([H:10])[H:11])([H:8])[H:9])[H:7],[H:7][H:9].[O:1]=[C:2]([C:3]([C:4]([C:5]#[N:6])([H:12])[H:13])([H:10])[H:11])[H:8],"InChI=1S/C4H7NO/c5-3-1-2-4-6/h6H,1-2,4H2","InChI=1S/C4H5NO.H2/c5-3-1-2-4-6;/h4H,1-2H2;1H",79.87702,19.20143,
4100,[O:1]([C:2]([C:3]([C:4]([C:5]#[N:6])([H:12])[H:13])([H:10])[H:11])([H:8])[H:9])[H:7],[C:4](=[C:5]=[N:6][H:9])([H:12])[H:13].[O:1]([C:2](=[C:3]([H:10])[H:11])[H:8])[H:7],"InChI=1S/C4H7NO/c5-3-1-2-4-6/h6H,1-2,4H2","InChI=1S/C2H3N.C2H4O/c2*1-2-3/h3H,1H2;2-3H,1H2",55.41649,36.373940000000005,Retroene
4101,[O:1]([C:2]([C:3]([C:4]([C:5]#[N:6])([H:12])[H:13])([H:10])[H:11])([H:8])[H:9])[H:7],[O:1]1[C:2]([H:8])([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])/[C:5]1=[N:6]/[H:7],"InChI=1S/C4H7NO/c5-3-1-2-4-6/h6H,1-2,4H2","InChI=1S/C4H7NO/c5-4-2-1-3-6-4/h5H,1-3H2/b5-4-",51.71804,-6.15552,
4102,[O:1]([C:2]([C:3]([C:4]([C:5]#[N:6])([H:12])[H:13])([H:10])[H:11])([H:8])[H:9])[H:7],[C:2]([H:8])[H:9].[O:1]([C:3]([C:4]([C:5]#[N:6])([H:12])[H:13])([H:10])[H:11])[H:7],"InChI=1S/C4H7NO/c5-3-1-2-4-6/h6H,1-2,4H2","InChI=1S/C3H5NO.CH2/c4-2-1-3-5;/h5H,1,3H2;1H2",101.62129,117.33363999999999,
4103,[O:1]([C:2]([C:3]([C:4]([C:5]#[N:6])([H:12])[H:13])([H:10])[H:11])([H:8])[H:9])[H:7],[C:2](=[C:3]([C:4]([C:5]#[N:6])([H:12])[H:13])[H:11])([H:8])[H:9].[O:1]([H:7])[H:10],"InChI=1S/C4H7NO/c5-3-1-2-4-6/h6H,1-2,4H2","InChI=1S/C4H5N.H2O/c1-2-3-4-5;/h2H,1,3H2;1H2",60.94699,13.04578,"1,3_Insertion_ROR"
4104,[O:1]([C:2]([C:3]([C:4]([C:5]#[N:6])([H:12])[H:13])([H:10])[H:11])([H:8])[H:9])[H:7],[O:1]([C@@:2]([C:3]([H:8])([H:10])[H:11])([N:6]=[C:5]=[C:4]([H:12])[H:13])[H:9])[H:7],"InChI=1S/C4H7NO/c5-3-1-2-4-6/h6H,1-2,4H2","InChI=1S/C4H7NO/c1-3-5-4(2)6/h4,6H,1H2,2H3/t4-/m0/s1",81.78904,17.77197,
4105,[c:1]1([H:7])[c:2]([H:8])[c:3]([H:9])[n:4][c:5]([H:10])[c:6]1[H:11],[C:1]1([H:7])=[C:6]=[C:5]([H:10])[N:4]([H:11])[C:3]([H:9])=[C:2]1[H:8],InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H,"InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-2,4-6H",112.67241000000001,56.56873,
4106,[c:1]1([H:7])[c:2]([H:8])[c:3]([H:9])[n:4][c:5]([H:10])[c:6]1[H:11],[C:1]1([H:7])=[C:2]([H:8])[C-:3]([H:9])[N:4]([H:10])[C+:5]=[C:6]1[H:11],InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H,"InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-4,6H",83.87409,50.356790000000004,
4107,[c:1]1([H:7])[c:2]([H:8])[c:3]([H:9])[n:4][c:5]([H:10])[c:6]1[H:11],[C:1]1([H:7])=[C:2]=[C:3]([H:9])[N:4]=[C:5]([H:10])[C:6]1([H:8])[H:11],InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H,"InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1,4-5H,2H2",108.53203,76.8101,
4108,[c:1]1([H:7])[c:2]([H:8])[c:3]([H:9])[n:4][c:5]([H:10])[c:6]1[H:11],[C:1]1([H:7])=[C-:6][C:5]([H:10])([H:11])[N:4]=[C:3]([H:9])[C+:2]1[H:8],InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H,"InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-2,4H,5H2",90.73583,90.9157,Singlet_Carbene_Intra_Disproportionation
4109,[c:1]1([H:7])[c:2]([H:8])[c:3]([H:9])[n:4][c:5]([H:10])[c:6]1[H:11],[C:1]1([H:7])=[C:2]([H:8])[C:3]([H:9])([H:11])[N-:4][C:5]([H:10])=[C+:6]1,InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H,"InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-2,5H,4H2",122.58842,92.73845,
4110,[c:1]1([H:7])[c:2]([H:8])[c:3]([H:9])[n:4][c:5]([H:10])[c:6]1[H:11],[C:1]1([H:7])=[C:6]([H:11])[C-:5]=[N+:4]=[C:3]([H:9])[C:2]1([H:8])[H:10],InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H,"InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-2,5H,3H2",110.6094,80.67278,
4111,[c:1]1([H:7])[c:2]([H:8])[c:3]([H:9])[n:4][c:5]([H:10])[c:6]1[H:11],[C:1]1([H:7])=[C:6]([H:11])[C:2]1([C:3](=[N+:4]=[C-:5][H:10])[H:9])[H:8],InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H,InChI=1S/C5H5N/c1-6-4-5-2-3-5/h1-5H,115.06289,109.98808999999999,
4112,[c:1]1([H:7])[c:2]([H:8])[c:3]([H:9])[n:4][c:5]([H:10])[c:6]1[H:11],[C:1]1=[C:2]([H:8])[C:3]([H:9])=[N:4][C:5]([H:7])([H:10])[C:6]=1[H:11],InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H,"InChI=1S/C5H5N/c1-2-4-6-5-3-1/h2-4H,5H2",104.06014,72.69803,
4113,[c:1]1([H:7])[c:2]([H:8])[c:3]([H:9])[n:4][c:5]([H:10])[c:6]1[H:11],[C-:1]1=[C:2]([H:8])[C:3]([H:9])=[N+:4]=[C:5]([H:10])[C:6]1([H:7])[H:11],InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H,"InChI=1S/C5H5N/c1-2-4-6-5-3-1/h2,4-5H,3H2",88.66179,78.78756,Singlet_Carbene_Intra_Disproportionation
4114,[c:1]1([H:7])[c:2]([H:8])[c:3]([H:9])[n:4][c:5]([H:10])[c:6]1[H:11],[C:1]1([H:7])([H:11])[C:2]([H:8])=[C:3]([H:9])[N-:4][C:5]([H:10])=[C+:6]1,InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H,"InChI=1S/C5H5N/c1-2-4-6-5-3-1/h2,4-5H,1H2",93.90191999999999,93.06545,Singlet_Carbene_Intra_Disproportionation
4115,[c:1]1([H:7])[c:2]([H:8])[c:3]([H:9])[n:4][c:5]([H:10])[c:6]1[H:11],[C:1]1([H:7])=[C:2]([H:8])[C@:3]2([H:9])[N:4]=[C:5]([H:10])[C@:6]12[H:11],InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H,"InChI=1S/C5H5N/c1-2-5-4(1)3-6-5/h1-5H/t4-,5-/m0/s1",94.86904,78.28331,Intra_2+2_cycloaddition_Cd
4116,[c:1]1([H:7])[c:2]([H:8])[c:3]([H:9])[n:4][c:5]([H:10])[c:6]1[H:11],[C:1]12([H:7])[C:2]([H:8])=[C:3]([H:9])[N:4]1[C:5]([H:10])=[C:6]2[H:11],InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H,InChI=1S/C5H5N/c1-3-6-4-2-5(1)6/h1-5H,111.4669,87.15481,
4117,[c:1]1([H:7])[c:2]([H:8])[c:3]([H:9])[n:4][c:5]([H:10])[c:6]1[H:11],[C:1]1([H:7])=[C:2]([H:8])[C:3]([H:9])=[N:4][C:5]1=[C:6]([H:10])[H:11],InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H,"InChI=1S/C5H5N/c1-5-3-2-4-6-5/h2-4H,1H2",96.02985,27.76809,
4118,[c:1]1([H:7])[c:2]([H:8])[c:3]([H:9])[n:4][c:5]([H:10])[c:6]1[H:11],[C:1]1([H:7])=[C:2]([H:8])[C-:3]([H:9])[N+:4]2=[C:5]([H:10])[C@:6]12[H:11],InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H,InChI=1S/C5H5N/c1-2-5-4-6(5)3-1/h1-5H/t5-/m0/s1,100.80041999999999,103.19004,
4119,[c:1]1([H:7])[c:2]([H:8])[c:3]([H:9])[n:4][c:5]([H:10])[c:6]1[H:11],[C@:1]12([H:7])[C@:2]3([H:8])[C:3]([H:9])=[N:4][C@@:5]1([H:10])[C@:6]23[H:11],InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H,"InChI=1S/C5H5N/c1-2-3-4(2)5(3)6-1/h1-5H/t2-,3+,4-,5+",93.85679,69.66006,
4120,[c:1]1([H:7])[c:2]([H:8])[c:3]([H:9])[n:4][c:5]([H:10])[c:6]1[H:11],[C:1](=[C:2]([C:3](=[N+:4]=[C-:5][H:10])[H:9])[H:8])=[C:6]([H:7])[H:11],InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H,"InChI=1S/C5H5N/c1-3-4-5-6-2/h2,4-5H,1H2",142.77233,84.12722,
4121,[c:1]1([H:7])[c:2]([H:8])[c:3]([H:9])[n:4][c:5]([H:10])[c:6]1[H:11],[C:1]1([H:7])=[C:2]([H:8])[C:3](=[N:4][H:9])[C:5]([H:10])=[C:6]1[H:11],InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H,"InChI=1S/C5H5N/c6-5-3-1-2-4-5/h1-4,6H",147.99237,30.45675,
4122,[c:1]1([H:7])[c:2]([H:8])[c:3]([H:9])[n:4][c:5]([H:10])[c:6]1[H:11],[C:1]1([H:7])([H:9])[C:2]([H:8])=[C:3]=[N:4][C:5]([H:10])=[C:6]1[H:11],InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H,"InChI=1S/C5H5N/c1-2-4-6-5-3-1/h2-4H,1H2",117.72113999999999,71.86664,
4123,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])=[C:6]1[H:12],[C:3]1([H:7])([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])=[C:6]1[H:12].[O+:1]#[C-:2],"InChI=1S/C5H6O/c6-5-3-1-2-4-5/h1,3H,2,4H2","InChI=1S/C4H6.CO/c1-2-4-3-1;1-2/h1-2H,3-4H2;",98.48692,35.78154,
4124,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])=[C:6]1[H:12],[O:1]=[C:2]=[C:6](/[C:5](=[C:4](\[C:3]([H:7])([H:8])[H:9])[H:10])[H:11])[H:12],"InChI=1S/C5H6O/c6-5-3-1-2-4-5/h1,3H,2,4H2","InChI=1S/C5H6O/c1-2-3-4-5-6/h2-4H,1H3/b3-2-",80.28015,17.67373,
4125,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])=[C:6]1[H:12],[O:1]=[C:2]=[C:6]([C:5]1([H:11])[C:3]([H:7])([H:8])[C:4]1([H:9])[H:10])[H:12],"InChI=1S/C5H6O/c6-5-3-1-2-4-5/h1,3H,2,4H2","InChI=1S/C5H6O/c6-4-3-5-1-2-5/h3,5H,1-2H2",72.9641,29.706129999999998,
4126,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])=[C:6]1[H:12],[O:1]=[C:2](/[C:6](=[C:5](\[C:4](=[C:3]([H:7])[H:8])[H:10])[H:11])[H:12])[H:9],"InChI=1S/C5H6O/c6-5-3-1-2-4-5/h1,3H,2,4H2","InChI=1S/C5H6O/c1-2-3-4-5-6/h2-5H,1H2/b4-3-",100.20907,22.13476,
4127,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])=[C:6]1[H:12],[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C:5][C:6]1([H:11])[H:12],"InChI=1S/C5H6O/c6-5-3-1-2-4-5/h1,3H,2,4H2","InChI=1S/C5H6O/c6-5-3-1-2-4-5/h1,3-4H2",78.31589,78.95999,Singlet_Carbene_Intra_Disproportionation
4128,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])=[C:6]1[H:12],[O:1]=[C:5]([C:4]([C:3]([C:2]#[C:6][H:12])([H:7])[H:8])([H:9])[H:10])[H:11],"InChI=1S/C5H6O/c6-5-3-1-2-4-5/h1,3H,2,4H2","InChI=1S/C5H6O/c1-2-3-4-5-6/h1,5H,3-4H2",128.85266000000001,41.40831,
4129,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])=[C:6]1[H:12],[C:3](=[C:4]([H:9])[H:10])([H:7])[H:8].[O:1]=[c:2]1[c:5]([H:11])[c:6]1[H:12],"InChI=1S/C5H6O/c6-5-3-1-2-4-5/h1,3H,2,4H2",InChI=1S/C3H2O.C2H4/c4-3-1-2-3;1-2/h1-2H;1-2H2,95.06738,68.95716,
4130,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])=[C:6]1[H:12],[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])=[C:5]([H:11])[C:6]1([H:10])[H:12],"InChI=1S/C5H6O/c6-5-3-1-2-4-5/h1,3H,2,4H2","InChI=1S/C5H6O/c6-5-3-1-2-4-5/h1-2H,3-4H2",65.82391,4.8956599999999995,
4131,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])=[C:6]1[H:12],[O:1]([C:2]1=[C:6]([H:12])[C:5]([H:11])=[C:4]([H:9])[C:3]1([H:7])[H:8])[H:10],"InChI=1S/C5H6O/c6-5-3-1-2-4-5/h1,3H,2,4H2","InChI=1S/C5H6O/c6-5-3-1-2-4-5/h1-3,6H,4H2",95.99481999999999,12.88785,
4132,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])=[C:6]1[H:12],[O:1]1[C:2](=[C:3]([H:7])[H:8])[C@:6]1([C:5](=[C:4]([H:9])[H:10])[H:11])[H:12],"InChI=1S/C5H6O/c6-5-3-1-2-4-5/h1,3H,2,4H2","InChI=1S/C5H6O/c1-3-5-4(2)6-5/h3,5H,1-2H2/t5-/m1/s1",62.14915,50.588770000000004,
4133,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])=[C:6]1[H:12],[O:1]1/[C:2](=[C:6](/[C:5](=[C:4]([H:9])[H:10])[H:11])[H:12])[C:3]1([H:7])[H:8],"InChI=1S/C5H6O/c6-5-3-1-2-4-5/h1,3H,2,4H2","InChI=1S/C5H6O/c1-2-3-5-4-6-5/h2-3H,1,4H2/b5-3+",65.81829,50.55636,
4134,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])=[C:6]1[H:12],[O:1]([C+:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C-:5]=[C:6]1[H:12])[H:11],"InChI=1S/C5H6O/c6-5-3-1-2-4-5/h1,3H,2,4H2","InChI=1S/C5H6O/c6-5-3-1-2-4-5/h4,6H,1,3H2",121.11178000000001,67.86746,
4135,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])=[C:6]1[H:12],[O:1]([C:2]1=[C:6]=[C:5]([H:11])[C:4]([H:9])([H:10])[C:3]1([H:7])[H:8])[H:12],"InChI=1S/C5H6O/c6-5-3-1-2-4-5/h1,3H,2,4H2","InChI=1S/C5H6O/c6-5-3-1-2-4-5/h1,6H,2,4H2",73.01066,56.513130000000004,ketoenol
4136,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])=[C:6]1[H:12],[O:1]=[C:2]([C@:3]1([H:7])[C:4]([H:9])([H:10])[C:5]([H:11])=[C:6]1[H:12])[H:8],"InChI=1S/C5H6O/c6-5-3-1-2-4-5/h1,3H,2,4H2","InChI=1S/C5H6O/c6-4-5-2-1-3-5/h1-2,4-5H,3H2/t5-/m0/s1",94.97697,35.74511,
4137,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])=[C:6]1[H:12],[O:1]([C:2]1=[C:3]([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])=[C:6]1[H:12])[H:7],"InChI=1S/C5H6O/c6-5-3-1-2-4-5/h1,3H,2,4H2","InChI=1S/C5H6O/c6-5-3-1-2-4-5/h1,3-4,6H,2H2",69.05478000000001,11.07413,ketoenol
4138,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])=[C:6]1[H:12],[O:1]=[C:2]=[C:6]([C:5]([C:4](=[C:3]([H:7])[H:8])[H:9])([H:10])[H:11])[H:12],"InChI=1S/C5H6O/c6-5-3-1-2-4-5/h1,3H,2,4H2","InChI=1S/C5H6O/c1-2-3-4-5-6/h2,4H,1,3H2",62.790119999999995,24.35303,
4139,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])=[C:6]1[H:12],[O:1]=[C:6]([C:2]1=[C:5]([H:11])[C:4]([H:9])([H:10])[C:3]1([H:7])[H:8])[H:12],"InChI=1S/C5H6O/c6-5-3-1-2-4-5/h1,3H,2,4H2","InChI=1S/C5H6O/c6-4-5-2-1-3-5/h2,4H,1,3H2",171.67229,30.311690000000002,
4140,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])=[C:6]1[H:12],[C:3](=[C:4]([H:9])[H:10])([H:7])[H:8].[C:5](#[C:6][H:12])[H:11].[O+:1]#[C-:2],"InChI=1S/C5H6O/c6-5-3-1-2-4-5/h1,3H,2,4H2",InChI=1S/C2H4.C2H2.CO/c3*1-2/h1-2H2;1-2H;,89.18763,67.58653000000001,
4141,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])=[C:6]1[H:12],[H:9][H:11].[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:10])=[C:5]=[C:6]1[H:12],"InChI=1S/C5H6O/c6-5-3-1-2-4-5/h1,3H,2,4H2","InChI=1S/C5H4O.H2/c6-5-3-1-2-4-5;/h1,4H,3H2;1H",95.51833,85.87229,
4142,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])=[C:6]1[H:12],[O:1]=[C:2]1[C:3]([H:7])([H:8])[C@:6]1([C:5](=[C:4]([H:9])[H:10])[H:11])[H:12],"InChI=1S/C5H6O/c6-5-3-1-2-4-5/h1,3H,2,4H2","InChI=1S/C5H6O/c1-2-4-3-5(4)6/h2,4H,1,3H2/t4-/m1/s1",66.53795,42.13374,
4143,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])=[C:6]1[H:12],[O:1]1[C@@:2]2([H:8])[C@:3]1([H:7])[C:4]([H:9])([H:10])[C:5]([H:11])=[C:6]2[H:12],"InChI=1S/C5H6O/c6-5-3-1-2-4-5/h1,3H,2,4H2","InChI=1S/C5H6O/c1-2-4-5(3-1)6-4/h1-2,4-5H,3H2/t4-,5+/m1/s1",88.33075,34.7244,
4144,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])=[C:6]1[H:12],[H:10][H:12].[O-:1][C:2]1=[C+:6][C:5]([H:11])=[C:4]([H:9])[C:3]1([H:7])[H:8],"InChI=1S/C5H6O/c6-5-3-1-2-4-5/h1,3H,2,4H2","InChI=1S/C5H4O.H2/c6-5-3-1-2-4-5;/h1-2H,3H2;1H",127.33596999999999,99.03367,
4145,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])=[C:6]1[H:12],[O-:1][C:2](=[C+:3][H:7])/[C:6](=[C:5](\[C:4]([H:8])([H:9])[H:10])[H:11])[H:12],"InChI=1S/C5H6O/c6-5-3-1-2-4-5/h1,3H,2,4H2","InChI=1S/C5H6O/c1-3-4-5(2)6/h2-4H,1H3/b4-3-",80.79964,84.0821,
4146,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])=[C:6]1[H:12],[O:1]1[C@@:2]23[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C@:5]2([H:11])[C@@:6]13[H:12],"InChI=1S/C5H6O/c6-5-3-1-2-4-5/h1,3H,2,4H2","InChI=1S/C5H6O/c1-2-5-3(1)4(5)6-5/h3-4H,1-2H2/t3-,4-,5+/m1/s1",102.50994,97.11145,
4147,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])=[C:6]1[H:12],[O:1]=[C:2]([C:3]([C:4]([H:9])([H:10])[H:11])([H:7])[H:8])[C:6](=[C:5])[H:12],"InChI=1S/C5H6O/c6-5-3-1-2-4-5/h1,3H,2,4H2","InChI=1S/C5H6O/c1-3-5(6)4-2/h4H,3H2,1H3",74.88107,78.98817,
4148,[N:1]([C@@:2]([C:3]#[C:4][H:10])([C:5]#[N:6])[H:9])([H:7])[H:8],[N:1]([C:2](=[C:3]=[C:4]([N+:6]#[C-:5])[H:10])[H:9])([H:7])[H:8],"InChI=1S/C4H4N2/c1-2-4(6)3-5/h1,4H,6H2/t4-/m0/s1","InChI=1S/C4H4N2/c1-6-4-2-3-5/h3-4H,5H2",56.727140000000006,9.18726,
4149,[N:1]([C@@:2]([C:3]#[C:4][H:10])([C:5]#[N:6])[H:9])([H:7])[H:8],[N:1]([C:3]1=[C:4]([H:10])[C@:2]1([C:5]#[N:6])[H:9])([H:7])[H:8],"InChI=1S/C4H4N2/c1-2-4(6)3-5/h1,4H,6H2/t4-/m0/s1","InChI=1S/C4H4N2/c5-2-3-1-4(3)6/h1,3H,6H2/t3-/m0/s1",68.78035,-3.2345,
4150,[N:1]([C@@:2]([C:3]#[C:4][H:10])([C:5]#[N:6])[H:9])([H:7])[H:8],[N:1]([C@@:2]([C:3]#[C:4][H:10])([N+:6]#[C-:5])[H:9])([H:7])[H:8],"InChI=1S/C4H4N2/c1-2-4(6)3-5/h1,4H,6H2/t4-/m0/s1","InChI=1S/C4H4N2/c1-3-4(5)6-2/h1,4H,5H2/t4-/m1/s1",43.05826,24.08407,
4151,[N:1]([C@@:2]([C:3]#[C:4][H:10])([C:5]#[N:6])[H:9])([H:7])[H:8],[N:1]([C:2]([C:3]#[C:4][H:10])=[C:5]=[N:6][H:9])([H:7])[H:8],"InChI=1S/C4H4N2/c1-2-4(6)3-5/h1,4H,6H2/t4-/m0/s1","InChI=1S/C4H4N2/c1-2-4(6)3-5/h1,5H,6H2",65.03568,10.09248,
4152,[N:1]([C@@:2]([C:3]#[C:4][H:10])([C:5]#[N:6])[H:9])([H:7])[H:8],[N:1]([C@@:2]([C:4](=[C:3])[H:10])([C:5]#[N:6])[H:9])([H:7])[H:8],"InChI=1S/C4H4N2/c1-2-4(6)3-5/h1,4H,6H2/t4-/m0/s1","InChI=1S/C4H4N2/c1-2-4(6)3-5/h2,4H,6H2/t4-/m0/s1",52.29795,48.9812,Singlet_Carbene_Intra_Disproportionation
4153,[N:1]([C@@:2]([C:3]#[C:4][H:10])([C:5]#[N:6])[H:9])([H:7])[H:8],[N:1]([C:2](=[C:3]=[C:4]([H:9])[H:10])[C:5]#[N:6])([H:7])[H:8],"InChI=1S/C4H4N2/c1-2-4(6)3-5/h1,4H,6H2/t4-/m0/s1","InChI=1S/C4H4N2/c1-2-4(6)3-5/h1,6H2",51.51211,-15.590279999999998,
4154,[N:1]([C@@:2]([C:3]#[C:4][H:10])([C:5]#[N:6])[H:9])([H:7])[H:8],[N:1](/[C:2](=[C:3](\[C:4][H:10])[C:5]#[N:6])[H:9])([H:7])[H:8],"InChI=1S/C4H4N2/c1-2-4(6)3-5/h1,4H,6H2/t4-/m0/s1","InChI=1S/C4H4N2/c1-4(2-5)3-6/h1-2H,5H2/b4-2+",48.04735,19.34872,
4155,[N:1]([C@@:2]([C:3]#[C:4][H:10])([C:5]#[N:6])[H:9])([H:7])[H:8],[N+:1]([C-:2]([C:3]#[C:4][H:10])[C:5]#[N:6])([H:7])([H:8])[H:9],"InChI=1S/C4H4N2/c1-2-4(6)3-5/h1,4H,6H2/t4-/m0/s1","InChI=1S/C4H4N2/c1-2-4(6)3-5/h1H,6H3",54.91993000000001,29.87537,
4156,[N:1]([C@@:2]([C:3]#[C:4][H:10])([C:5]#[N:6])[H:9])([H:7])[H:8],[C:5]=[N:6][H:7].[N:1](=[C:2](/[C:3]#[C:4][H:10])[H:9])\[H:8],"InChI=1S/C4H4N2/c1-2-4(6)3-5/h1,4H,6H2/t4-/m0/s1","InChI=1S/C3H3N.CHN/c1-2-3-4;1-2/h1,3-4H;2H/b4-3+;",50.12712,35.3473,
4157,[N:1]([C@@:2]([C:3]#[C:4][H:10])([C:5]#[N:6])[H:9])([H:7])[H:8],[N:1]([N:6]=[C:5]=[C:2]([C:3]#[C:4][H:10])[H:9])([H:7])[H:8],"InChI=1S/C4H4N2/c1-2-4(6)3-5/h1,4H,6H2/t4-/m0/s1","InChI=1S/C4H4N2/c1-2-3-4-6-5/h1,3H,5H2",71.63557,28.968040000000002,
4158,[N:1]([C@@:2]([C:3]#[C:4][H:10])([C:5]#[N:6])[H:9])([H:7])[H:8],[N:1]([C:2](=[C:5]=[N:6][C:3]#[C:4][H:10])[H:9])([H:7])[H:8],"InChI=1S/C4H4N2/c1-2-4(6)3-5/h1,4H,6H2/t4-/m0/s1","InChI=1S/C4H4N2/c1-2-6-4-3-5/h1,3H,5H2",86.89564,21.9087,
4159,[N:1]([C@@:2]([C:3]#[C:4][H:10])([C:5]#[N:6])[H:9])([H:7])[H:8],[N:1]1([H:7])[C@:2]([C:3]#[C:4][H:10])([H:9])[C:5][N:6]1[H:8],"InChI=1S/C4H4N2/c1-2-4(6)3-5/h1,4H,6H2/t4-/m0/s1","InChI=1S/C4H4N2/c1-2-4-3-5-6-4/h1,4-6H/t4-/m0/s1",113.61115,83.5156,
4160,[N:1]([C@@:2]([C:3]#[C:4][H:10])([C:5]#[N:6])[H:9])([H:7])[H:8],[N:1]([C:2](=[C:5]([C:3]#[C+:4])[N-:6][H:10])[H:9])([H:7])[H:8],"InChI=1S/C4H4N2/c1-2-4(6)3-5/h1,4H,6H2/t4-/m0/s1","InChI=1S/C4H4N2/c1-2-4(6)3-5/h3,6H,5H2",92.43982,50.53738,
4161,[O:1]([C:2]12[C:3]([H:8])([H:9])[C:4]([H:10])([C:5]1([H:11])[H:12])[C:6]2([H:13])[H:14])[H:7],[O:1]([C:2]([C:5]([C:4](=[C:3]([H:8])[H:9])[H:10])([H:11])[H:12])=[C:6]([H:13])[H:14])[H:7],"InChI=1S/C5H8O/c6-5-1-4(2-5)3-5/h4,6H,1-3H2","InChI=1S/C5H8O/c1-3-4-5(2)6/h3,6H,1-2,4H2",43.45415,-27.95982,
4162,[O:1]([C:2]12[C:3]([H:8])([H:9])[C:4]([H:10])([C:5]1([H:11])[H:12])[C:6]2([H:13])[H:14])[H:7],[O:1]([C:2]1([C:3]([H:8])([H:9])[H:10])[C:5]([H:11])([H:12])[C:4][C:6]1([H:13])[H:14])[H:7],"InChI=1S/C5H8O/c6-5-1-4(2-5)3-5/h4,6H,1-3H2","InChI=1S/C5H8O/c1-5(6)3-2-4-5/h6H,3-4H2,1H3",61.327780000000004,55.526469999999996,
4163,[O:1]([C:2]12[C:3]([H:8])([H:9])[C:4]([H:10])([C:5]1([H:11])[H:12])[C:6]2([H:13])[H:14])[H:7],[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([C:5]([H:7])([H:11])[H:12])([H:10])[C:6]1([H:13])[H:14],"InChI=1S/C5H8O/c6-5-1-4(2-5)3-5/h4,6H,1-3H2","InChI=1S/C5H8O/c1-4-2-5(6)3-4/h4H,2-3H2,1H3",55.73325,-35.06062,
4164,[O:1]([C:2]12[C:3]([H:8])([H:9])[C:4]([H:10])([C:5]1([H:11])[H:12])[C:6]2([H:13])[H:14])[H:7],[O:1]([C:5]([C:2]12[C:3]([H:8])([H:9])[C:4]1([H:10])[C:6]2([H:13])[H:14])([H:11])[H:12])[H:7],"InChI=1S/C5H8O/c6-5-1-4(2-5)3-5/h4,6H,1-3H2","InChI=1S/C5H8O/c6-3-5-1-4(5)2-5/h4,6H,1-3H2",68.80598,2.11721,
4165,[O:1]([C:2]12[C:3]([H:8])([H:9])[C:4]([H:10])([C:5]1([H:11])[H:12])[C:6]2([H:13])[H:14])[H:7],[O:1]([C:2]1([C:6][H:13])[C:3]([H:8])([H:9])[C:4]([H:10])([H:14])[C:5]1([H:11])[H:12])[H:7],"InChI=1S/C5H8O/c6-5-1-4(2-5)3-5/h4,6H,1-3H2","InChI=1S/C5H8O/c1-5(6)3-2-4-5/h1,6H,2-4H2",74.8931,61.27394,
4166,[O:1]([C:2]12[C:3]([H:8])([H:9])[C:4]([H:10])([C:5]1([H:11])[H:12])[C:6]2([H:13])[H:14])[H:7],[O:1]([C:2][C:3]([C:4]1([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])([H:8])[H:9])[H:7],"InChI=1S/C5H8O/c6-5-1-4(2-5)3-5/h4,6H,1-3H2","InChI=1S/C5H8O/c6-4-3-5-1-2-5/h5-6H,1-3H2",88.08894000000001,31.678290000000004,
4167,[O:1]([C:2]12[C:3]([H:8])([H:9])[C:4]([H:10])([C:5]1([H:11])[H:12])[C:6]2([H:13])[H:14])[H:7],[O:1]([C@:2]1([H:14])[C:5]([H:11])([H:12])[C@:4]2([H:10])[C:3]([H:8])([H:9])[C@:6]12[H:13])[H:7],"InChI=1S/C5H8O/c6-5-1-4(2-5)3-5/h4,6H,1-3H2","InChI=1S/C5H8O/c6-5-2-3-1-4(3)5/h3-6H,1-2H2/t3-,4-,5+/m0/s1",80.13488000000001,-8.32935,
4168,[O:1]([c:2]1[c:3]([H:8])[o:4][c:5]([H:9])[n:6]1)[H:7],[O:1]([C:2](=[C:3]([O-:4])[H:8])[N+:6]#[C:5][H:9])[H:7],"InChI=1S/C3H3NO2/c5-3-1-6-2-4-3/h1-2,5H","InChI=1S/C3H3NO2/c1-4-3(6)2-5/h1-2H,(H-,5,6)",42.93387,43.47827,
4169,[O:1]([c:2]1[c:3]([H:8])[o:4][c:5]([H:9])[n:6]1)[H:7],[O:1]([c:2]1[c:3]([H:8])[o+:4][c-:5][n:6]1[H:9])[H:7],"InChI=1S/C3H3NO2/c5-3-1-6-2-4-3/h1-2,5H","InChI=1S/C3H3NO2/c5-3-1-6-2-4-3/h1,4-5H",72.1721,39.95782,
4170,[O:1]([c:2]1[c:3]([H:8])[o:4][c:5]([H:9])[n:6]1)[H:7],[O:1]([C@:2]1([H:8])[C-:3]=[O+:4][C:5]([H:9])=[N:6]1)[H:7],"InChI=1S/C3H3NO2/c5-3-1-6-2-4-3/h1-2,5H","InChI=1S/C3H3NO2/c5-3-1-6-2-4-3/h2-3,5H/t3-/m1/s1",68.74481,67.95212,Singlet_Carbene_Intra_Disproportionation
4171,[O:1]([c:2]1[c:3]([H:8])[o:4][c:5]([H:9])[n:6]1)[H:7],[O-:1][c:2]1[c:3]([H:8])[o+:4][c:5]([H:9])[n:6]1[H:7],"InChI=1S/C3H3NO2/c5-3-1-6-2-4-3/h1-2,5H","InChI=1S/C3H3NO2/c5-3-1-6-2-4-3/h1-2,4H",42.87625,14.59097,
4172,[O:1]([c:2]1[c:3]([H:8])[o:4][c:5]([H:9])[n:6]1)[H:7],[O:1]([C:2]1=[C:3]([H:8])[N:6]1[C:5](=[O:4])[H:9])[H:7],"InChI=1S/C3H3NO2/c5-3-1-6-2-4-3/h1-2,5H","InChI=1S/C3H3NO2/c5-2-4-1-3(4)6/h1-2,6H",69.89178000000001,71.84151999999999,ketoenol
4173,[O:1]([c:2]1[c:3]([H:8])[o:4][c:5]([H:9])[n:6]1)[H:7],[O:1]([C:3](=[C:2]=[N:6][C:5](=[O:4])[H:9])[H:8])[H:7],"InChI=1S/C3H3NO2/c5-3-1-6-2-4-3/h1-2,5H","InChI=1S/C3H3NO2/c5-2-1-4-3-6/h2-3,5H",77.19984000000001,32.364959999999996,
4174,[O:1]([c:2]1[c:3]([H:8])[o:4][c:5]([H:9])[n:6]1)[H:7],[O:1]([C:2]1=[N:6][C@:3]1([O+:4]=[C-:5][H:9])[H:8])[H:7],"InChI=1S/C3H3NO2/c5-3-1-6-2-4-3/h1-2,5H","InChI=1S/C3H3NO2/c1-6-3-2(5)4-3/h1,3H,(H,4,5)/t3-/m0/s1",124.3015,102.88025,
4175,[O:1]([c:2]1[c:3]([H:8])[o:4][c:5]([H:9])[n:6]1)[H:7],[O:1]=[C:2]1[C:3]([H:7])([H:8])[O:4][C:5]([H:9])=[N:6]1,"InChI=1S/C3H3NO2/c5-3-1-6-2-4-3/h1-2,5H","InChI=1S/C3H3NO2/c5-3-1-6-2-4-3/h2H,1H2",58.470259999999996,-3.16885,ketoenol
4176,[O:1]([c:2]1[c:3]([H:8])[o:4][c:5]([H:9])[n:6]1)[H:7],[O:1]([C:2](=[C:3])[N:6]=[C:5]([O:4][H:8])[H:9])[H:7],"InChI=1S/C3H3NO2/c5-3-1-6-2-4-3/h1-2,5H","InChI=1S/C3H3NO2/c1-3(6)4-2-5/h2,6H,(H,4,5)",93.41845,92.05741,
4177,[N:1]([C:2](=[O:3])[C:4]#[C:5][H:8])([H:6])[H:7],[N:1]([C:2]#[C:4][C:5](=[O:3])[H:8])([H:6])[H:7],"InChI=1S/C3H3NO/c1-2-3(4)5/h1H,(H2,4,5)","InChI=1S/C3H3NO/c4-2-1-3-5/h3H,4H2",76.88756,12.62523,
4178,[N:1]([C:2](=[O:3])[C:4]#[C:5][H:8])([H:6])[H:7],[N:1](=[C:2](/[O:3][H:7])[C:4]#[C:5][H:8])\[H:6],"InChI=1S/C3H3NO/c1-2-3(4)5/h1H,(H2,4,5)","InChI=1S/C3H3NO/c1-2-3(4)5/h1H,(H2,4,5)",41.08765,8.77186,ketoenol
4179,[N:1]([C:2](=[O:3])[C:4]#[C:5][H:8])([H:6])[H:7],[C:4](#[C:5][H:8])[H:6].[N:1](=[C:2]=[O:3])[H:7],"InChI=1S/C3H3NO/c1-2-3(4)5/h1H,(H2,4,5)",InChI=1S/C2H2.CHNO/c1-2;2-1-3/h1-2H;2H,58.880790000000005,12.5861,
4180,[N:1]([C:2](=[O:3])[C:4]#[C:5][H:8])([H:6])[H:7],[N:1]([C:4]([C:2]#[O+:3])=[C-:5][H:8])([H:6])[H:7],"InChI=1S/C3H3NO/c1-2-3(4)5/h1H,(H2,4,5)","InChI=1S/C3H3NO/c1-3(4)2-5/h1H,4H2",64.03177,34.39999,
4181,[N:1]([C:2](=[O:3])[C:4]#[C:5][H:8])([H:6])[H:7],[N:1]([C-:2]=[O+:3][C:4]#[C:5][H:8])([H:6])[H:7],"InChI=1S/C3H3NO/c1-2-3(4)5/h1H,(H2,4,5)","InChI=1S/C3H3NO/c1-2-5-3-4/h1H,4H2",84.59678000000001,62.282180000000004,
4182,[N:1]([C:2](=[O:3])[C:4]#[C:5][H:8])([H:6])[H:7],[N:1]([C:5](=[C:4]=[C:2]=[O:3])[H:8])([H:6])[H:7],"InChI=1S/C3H3NO/c1-2-3(4)5/h1H,(H2,4,5)","InChI=1S/C3H3NO/c4-2-1-3-5/h2H,4H2",59.07516999999999,-5.5544,
4183,[N:1]([C:2](=[O:3])[C:4]#[C:5][H:8])([H:6])[H:7],[N:1]([C:2](=[O:3])[C:4](=[C:5])[H:8])([H:6])[H:7],"InChI=1S/C3H3NO/c1-2-3(4)5/h1H,(H2,4,5)","InChI=1S/C3H3NO/c1-2-3(4)5/h2H,(H2,4,5)",44.47356,50.4591,Singlet_Carbene_Intra_Disproportionation
4184,[N:1]([C:2](=[O:3])[C:4]#[C:5][H:8])([H:6])[H:7],[N:1]([c:4]1[c:2](=[O:3])[c:5]1[H:8])([H:6])[H:7],"InChI=1S/C3H3NO/c1-2-3(4)5/h1H,(H2,4,5)","InChI=1S/C3H3NO/c4-2-1-3(2)5/h1H,4H2",62.51565,8.23453,
4185,[C:1]([O:2][C:3]1([H:9])[C:4]([H:10])([H:11])[C:5]1([H:12])[H:13])([H:6])([H:7])[H:8],[C:1]([C:5]([C@@:3]1([H:9])[O:2][C:4]1([H:10])[H:11])([H:12])[H:13])([H:6])([H:7])[H:8],"InChI=1S/C4H8O/c1-5-4-2-3-4/h4H,2-3H2,1H3","InChI=1S/C4H8O/c1-2-4-3-5-4/h4H,2-3H2,1H3/t4-/m1/s1",95.66539,-7.19999,
4186,[C:1]([O:2][C:3]1([H:9])[C:4]([H:10])([H:11])[C:5]1([H:12])[H:13])([H:6])([H:7])[H:8],[C:1]([O:2][C:3](=[C:4]([H:10])[H:11])[H:9])([H:6])([H:7])[H:8].[C:5]([H:12])[H:13],"InChI=1S/C4H8O/c1-5-4-2-3-4/h4H,2-3H2,1H3","InChI=1S/C3H6O.CH2/c1-3-4-2;/h3H,1H2,2H3;1H2",92.87299,108.0552,1+2_Cycloaddition
4187,[C:1]([O:2][C:3]1([H:9])[C:4]([H:10])([H:11])[C:5]1([H:12])[H:13])([H:6])([H:7])[H:8],[C:1]([O:2]/[C:3](=[C:4](/[C:5]([H:10])([H:12])[H:13])[H:11])[H:9])([H:6])([H:7])[H:8],"InChI=1S/C4H8O/c1-5-4-2-3-4/h4H,2-3H2,1H3","InChI=1S/C4H8O/c1-3-4-5-2/h3-4H,1-2H3/b4-3+",67.06733,-11.262210000000001,
4188,[C:1]([O:2][C:3]1([H:9])[C:4]([H:10])([H:11])[C:5]1([H:12])[H:13])([H:6])([H:7])[H:8],[C:1]([H:6])([H:7])([H:8])[H:11].[O:2]=[C:3]([C:4](=[C:5]([H:12])[H:13])[H:10])[H:9],"InChI=1S/C4H8O/c1-5-4-2-3-4/h4H,2-3H2,1H3","InChI=1S/C3H4O.CH4/c1-2-3-4;/h2-3H,1H2;1H4",65.89619,-13.60661,
4189,[C:1]([O:2][C:3]1([H:9])[C:4]([H:10])([H:11])[C:5]1([H:12])[H:13])([H:6])([H:7])[H:8],[C:1]([O:2][C:4]([C:3](=[C:5]([H:12])[H:13])[H:9])([H:10])[H:11])([H:6])([H:7])[H:8],"InChI=1S/C4H8O/c1-5-4-2-3-4/h4H,2-3H2,1H3","InChI=1S/C4H8O/c1-3-4-5-2/h3H,1,4H2,2H3",62.80155,-4.4448300000000005,
4190,[C:1]([O:2][C:3]1([H:9])[C:4]([H:10])([H:11])[C:5]1([H:12])[H:13])([H:6])([H:7])[H:8],[C:1]([O:2][C:3]([C:5]([C:4][H:10])([H:12])[H:13])([H:9])[H:11])([H:6])([H:7])[H:8],"InChI=1S/C4H8O/c1-5-4-2-3-4/h4H,2-3H2,1H3","InChI=1S/C4H8O/c1-3-4-5-2/h1H,3-4H2,2H3",73.77879,80.33216,
4191,[C:1]([O:2][C:3]1([H:9])[C:4]([H:10])([H:11])[C:5]1([H:12])[H:13])([H:6])([H:7])[H:8],[C:1]([O:2][C@@:3]([C:4]([H:10])([H:11])[H:12])([C:5][H:13])[H:9])([H:6])([H:7])[H:8],"InChI=1S/C4H8O/c1-5-4-2-3-4/h4H,2-3H2,1H3","InChI=1S/C4H8O/c1-4(2)5-3/h1,4H,2-3H3/t4-/m1/s1",67.39311,72.67454000000001,
4192,[C:1]([O:2][C:3]1([H:9])[C:4]([H:10])([H:11])[C:5]1([H:12])[H:13])([H:6])([H:7])[H:8],[C:1]([O+:2]=[C-:3][C:4]([C:5]([H:9])([H:12])[H:13])([H:10])[H:11])([H:6])([H:7])[H:8],"InChI=1S/C4H8O/c1-5-4-2-3-4/h4H,2-3H2,1H3","InChI=1S/C4H8O/c1-3-4-5-2/h3H2,1-2H3",51.73557,33.68114,
4193,[C:1]([O:2][C:3]1([H:9])[C:4]([H:10])([H:11])[C:5]1([H:12])[H:13])([H:6])([H:7])[H:8],[C:1]([O:2][C:3]1=[C:4]([H:11])[C:5]1([H:12])[H:13])([H:6])([H:7])[H:8].[H:9][H:10],"InChI=1S/C4H8O/c1-5-4-2-3-4/h4H,2-3H2,1H3","InChI=1S/C4H6O.H2/c1-5-4-2-3-4;/h2H,3H2,1H3;1H",112.34453,49.03965,
4194,[C:1]([O:2][C:3]1([H:9])[C:4]([H:10])([H:11])[C:5]1([H:12])[H:13])([H:6])([H:7])[H:8],[C:1]([O:2][H:11])([H:6])([H:7])[H:8].[C:3]1([H:9])=[C:4]([H:10])[C:5]1([H:12])[H:13],"InChI=1S/C4H8O/c1-5-4-2-3-4/h4H,2-3H2,1H3","InChI=1S/C3H4.CH4O/c1-2-3-1;1-2/h1-2H,3H2;2H,1H3",73.62637,38.52897,
4195,[C:1]([O:2][C:3]1([H:9])[C:4]([H:10])([H:11])[C:5]1([H:12])[H:13])([H:6])([H:7])[H:8],[C-:1]([O+:2]=[C:3]([C:4]([C:5]([H:8])([H:12])[H:13])([H:10])[H:11])[H:9])([H:6])[H:7],"InChI=1S/C4H8O/c1-5-4-2-3-4/h4H,2-3H2,1H3","InChI=1S/C4H8O/c1-3-4-5-2/h4H,2-3H2,1H3",64.81748,35.19463,
4196,[C:1]([O:2][C:3]1([H:9])[C:4]([H:10])([H:11])[C:5]1([H:12])[H:13])([H:6])([H:7])[H:8],[C:1]([C:4]([C:5]([C:3](=[O:2])[H:9])([H:12])[H:13])([H:10])[H:11])([H:6])([H:7])[H:8],"InChI=1S/C4H8O/c1-5-4-2-3-4/h4H,2-3H2,1H3","InChI=1S/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H3",76.16077,-29.23388,
4197,[C:1]([O:2][C:3]1([H:9])[C:4]([H:10])([H:11])[C:5]1([H:12])[H:13])([H:6])([H:7])[H:8],[C:1](=[O:2])([H:6])[H:7].[C:3](=[C:4]([H:10])[H:11])([C:5]([H:8])([H:12])[H:13])[H:9],"InChI=1S/C4H8O/c1-5-4-2-3-4/h4H,2-3H2,1H3","InChI=1S/C3H6.CH2O/c1-3-2;1-2/h3H,1H2,2H3;1H2",57.737930000000006,-1.4742600000000001,
4198,[C:1]([O:2][C:3]1([H:9])[C:4]([H:10])([H:11])[C:5]1([H:12])[H:13])([H:6])([H:7])[H:8],[C-:1]([O+:2]=[C:3]1[C:4]([H:10])([H:11])[C:5]1([H:12])[H:13])([H:6])[H:7].[H:8][H:9],"InChI=1S/C4H8O/c1-5-4-2-3-4/h4H,2-3H2,1H3",InChI=1S/C4H6O.H2/c1-5-4-2-3-4;/h1-3H2;1H,74.37475,80.51111999999999,
4199,[C:1]([C:2]([O:3][H:9])([H:7])[H:8])([H:4])([H:5])[H:6],[C:1](=[C:2]([O:3][H:9])[H:7])([H:4])[H:6].[H:5][H:8],"InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3","InChI=1S/C2H4O.H2/c1-2-3;/h2-3H,1H2;1H",95.8895,26.02626,
4200,[C:1]([C:2]([O:3][H:9])([H:7])[H:8])([H:4])([H:5])[H:6],[C:1]([C:2](=[O:3])[H:7])([H:4])([H:5])[H:6].[H:8][H:9],"InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3","InChI=1S/C2H4O.H2/c1-2-3;/h2H,1H3;1H",79.33755,16.704620000000002,
4201,[C:1]([C:2]([O:3][H:9])([H:7])[H:8])([H:4])([H:5])[H:6],[C:1]([O:3][H:9])([H:4])([H:5])[H:6].[C:2]([H:7])[H:8],"InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3","InChI=1S/CH4O.CH2/c1-2;/h2H,1H3;1H2",116.65117,120.22076000000001,"1,2_Insertion_carbene"
4202,[O:1]([C:2]([C:3](=[O:4])[H:9])([C:5](=[O:6])[H:10])[H:8])[H:7],[O:1]1[C@:2]([C:5](=[O:6])[H:10])([H:8])[C@:3]1([O:4][H:7])[H:9],"InChI=1S/C3H4O3/c4-1-3(6)2-5/h1-3,6H","InChI=1S/C3H4O3/c4-1-2-3(5)6-2/h1-3,5H/t2-,3-/m0/s1",49.90319,17.636329999999997,
4203,[O:1]([C:2]([C:3](=[O:4])[H:9])([C:5](=[O:6])[H:10])[H:8])[H:7],[O:1]([C@@:2]1([H:8])[C@@:3]2([H:9])[O:4][C@:5]1([H:10])[O:6]2)[H:7],"InChI=1S/C3H4O3/c4-1-3(6)2-5/h1-3,6H","InChI=1S/C3H4O3/c4-1-2-5-3(1)6-2/h1-4H/t1-,2-,3+",69.02149,60.497319999999995,
4204,[O:1]([C:2]([C:3](=[O:4])[H:9])([C:5](=[O:6])[H:10])[H:8])[H:7],[O:1]=[C:2]([C:3](=[O:4])[H:9])[C:5]([O:6][H:7])([H:8])[H:10],"InChI=1S/C3H4O3/c4-1-3(6)2-5/h1-3,6H","InChI=1S/C3H4O3/c4-1-3(6)2-5/h1,5H,2H2",35.44511,0.26979000000000003,
4205,[O:1]([C:2]([C:3](=[O:4])[H:9])([C:5](=[O:6])[H:10])[H:8])[H:7],[O:1](/[C:2](=[C:3](/[O:4][H:8])[H:9])[C:5](=[O:6])[H:10])[H:7],"InChI=1S/C3H4O3/c4-1-3(6)2-5/h1-3,6H","InChI=1S/C3H4O3/c4-1-3(6)2-5/h1-2,4,6H/b3-1+",47.16717,-4.4732,ketoenol
4206,[O:1]([C:2]([C:3](=[O:4])[H:9])([C:5](=[O:6])[H:10])[H:8])[H:7],[O:1]([C@:2]1([C:5](=[O:6])[H:10])[C:3]([H:8])([H:9])[O:4]1)[H:7],"InChI=1S/C3H4O3/c4-1-3(6)2-5/h1-3,6H","InChI=1S/C3H4O3/c4-1-3(5)2-6-3/h1,5H,2H2/t3-/m0/s1",48.9159,14.378860000000001,
4207,[O:1]([C:2]([C:3](=[O:4])[H:9])([C:5](=[O:6])[H:10])[H:8])[H:7],[C-:3]#[O+:4].[H:7][H:9].[O:1]=[C:2]([C:5](=[O:6])[H:10])[H:8],"InChI=1S/C3H4O3/c4-1-3(6)2-5/h1-3,6H",InChI=1S/C2H2O2.CO.H2/c3-1-2-4;1-2;/h1-2H;;1H,50.02232,29.75822,
4208,[O:1]([C:2]([C:3](=[O:4])[H:9])([C:5](=[O:6])[H:10])[H:8])[H:7],[C:5](=[O:6])([H:9])[H:10].[O:1]([C:2](=[C:3]=[O:4])[H:8])[H:7],"InChI=1S/C3H4O3/c4-1-3(6)2-5/h1-3,6H","InChI=1S/C2H2O2.CH2O/c3-1-2-4;1-2/h1,3H;1H2",54.802969999999995,35.848,
4209,[O:1]([C:2]([C:3](=[O:4])[H:9])([C:5](=[O:6])[H:10])[H:8])[H:7],[O:1]([C@:2]([C:3][O:4][H:9])([C:5](=[O:6])[H:10])[H:8])[H:7],"InChI=1S/C3H4O3/c4-1-3(6)2-5/h1-3,6H","InChI=1S/C3H4O3/c4-1-3(6)2-5/h1,3,5-6H/t3-/m0/s1",82.12141,55.80189,
4210,[O:1]([C:2]([C:3](=[O:4])[H:9])([C:5](=[O:6])[H:10])[H:8])[H:7],[O:1]1[C@:2]2([H:8])[C@@:3]1([H:9])[O:4][C@@:5]2([O:6][H:7])[H:10],"InChI=1S/C3H4O3/c4-1-3(6)2-5/h1-3,6H","InChI=1S/C3H4O3/c4-2-1-3(5-1)6-2/h1-4H/t1-,2-,3+/m0/s1",44.78078,36.55383,
4211,[O:1]([C:2]([C:3](=[O:4])[H:9])([C:5](=[O:6])[H:10])[H:8])[H:7],[C-:3]#[O+:4].[O:1](/[C:2](=[C:5](\[O:6][H:9])[H:10])[H:8])[H:7],"InChI=1S/C3H4O3/c4-1-3(6)2-5/h1-3,6H",InChI=1S/C2H4O2.CO/c3-1-2-4;1-2/h1-4H;/b2-1-;,31.56468,4.20675,
4212,[O:1]([C:2]([C:3](=[O:4])[H:9])([C:5](=[O:6])[H:10])[H:8])[H:7],[O:1]([C@@:2]1([H:8])[C@@:3]([O+:6]=[C-:5][H:10])([H:9])[O:4]1)[H:7],"InChI=1S/C3H4O3/c4-1-3(6)2-5/h1-3,6H","InChI=1S/C3H4O3/c1-5-3-2(4)6-3/h1-4H/t2-,3-/m1/s1",90.62402,83.63359,
4213,[O:1]([C:2]([C:3](=[O:4])[H:9])([C:5](=[O:6])[H:10])[H:8])[H:7],[O:1](/[C:2](=[C:5](\[O:6][H:7])[H:10])[H:8])[C:3](=[O:4])[H:9],"InChI=1S/C3H4O3/c4-1-3(6)2-5/h1-3,6H",InChI=1S/C3H4O3/c4-1-2-6-3-5/h1-4H/b2-1-,34.46506,-5.02706,ketoenol
4214,[O:1]([C:2]([C:3](=[O:4])[H:9])([C:5](=[O:6])[H:10])[H:8])[H:7],[O:1]([O:6]/[C:5](=[C:2](\[C:3](=[O:4])[H:9])[H:8])[H:10])[H:7],"InChI=1S/C3H4O3/c4-1-3(6)2-5/h1-3,6H","InChI=1S/C3H4O3/c4-2-1-3-6-5/h1-3,5H/b3-1-",89.34214,60.964180000000006,ketoenol
4215,[C:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[n:5][n:6]1[H:12])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3](=[C:4]=[N:5][H:11])[H:10])=[N:6][H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H6N2/c1-4-2-3-5-6-4/h2-3H,1H3,(H,5,6)","InChI=1S/C4H6N2/c1-4(6)2-3-5/h2,5-6H,1H3",80.35181999999999,16.1988,
4216,[C:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[n:5][n:6]1[H:12])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]=[C:4](/[N:5]=[N:6]/[H:12])[H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H6N2/c1-4-2-3-5-6-4/h2-3H,1H3,(H,5,6)","InChI=1S/C4H6N2/c1-2-3-4-6-5/h2,4-5H,1H3/b6-5+",78.32596,62.41372,
4217,[C:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[n:5][n:6]1[H:12])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:12])[C:3]([H:10])=[C:4]([H:11])[N:5]=[N:6]1)([H:7])([H:8])[H:9],"InChI=1S/C4H6N2/c1-4-2-3-5-6-4/h2-3H,1H3,(H,5,6)","InChI=1S/C4H6N2/c1-4-2-3-5-6-4/h2-4H,1H3/t4-/m0/s1",49.29985,32.80908,
4218,[C:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[n:5][n:6]1[H:12])([H:7])([H:8])[H:9],[C:1]([C@:3]1([H:10])[C:2][N:6]([H:12])[N:5]=[C:4]1[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H6N2/c1-4-2-3-5-6-4/h2-3H,1H3,(H,5,6)","InChI=1S/C4H6N2/c1-4-2-5-6-3-4/h2,4,6H,1H3/t4-/m0/s1",81.9682,59.80348000000001,
4219,[C:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[n:5][n:6]1[H:12])([H:7])([H:8])[H:9],[C:1](/[C:2]([C@@:3]1([H:10])[C:4]([H:11])=[N:5]1)=[N:6]\[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H6N2/c1-4-2-3-5-6-4/h2-3H,1H3,(H,5,6)","InChI=1S/C4H6N2/c1-3(5)4-2-6-4/h2,4-5H,1H3/b5-3+/t4-/m1/s1",77.38725,41.57354,
4220,[C:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[n:5][n:6]1[H:12])([H:7])([H:8])[H:9],[C:1]([c+:2]1[c:3]([H:10])[c-:4][n:5]([H:11])[n:6]1[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H6N2/c1-4-2-3-5-6-4/h2-3H,1H3,(H,5,6)","InChI=1S/C4H6N2/c1-4-2-3-5-6-4/h2,5-6H,1H3",76.74714,54.64881,
4221,[C:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[n:5][n:6]1[H:12])([H:7])([H:8])[H:9],[C:1](/[C:2]([C:3]([C:4]#[N:5])([H:10])[H:11])=[N:6]\[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H6N2/c1-4-2-3-5-6-4/h2-3H,1H3,(H,5,6)","InChI=1S/C4H6N2/c1-4(6)2-3-5/h6H,2H2,1H3/b6-4+",78.24004000000001,3.49252,
4222,[C:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[n:5][n:6]1[H:12])([H:7])([H:8])[H:9],[C:1](=[C:2]1[C:3]([H:10])=[C:4]([H:11])[N:5]([H:8])[N:6]1[H:12])([H:7])[H:9],"InChI=1S/C4H6N2/c1-4-2-3-5-6-4/h2-3H,1H3,(H,5,6)","InChI=1S/C4H6N2/c1-4-2-3-5-6-4/h2-3,5-6H,1H2",100.82316999999999,37.98469,
4223,[C:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[n:5][n:6]1[H:12])([H:7])([H:8])[H:9],[C:1]([C:2]1=[C+:3][C:4]([H:10])([H:11])[N-:5][N:6]1[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H6N2/c1-4-2-3-5-6-4/h2-3H,1H3,(H,5,6)","InChI=1S/C4H6N2/c1-4-2-3-5-6-4/h6H,3H2,1H3",81.03317,79.21829,
4224,[C:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[n:5][n:6]1[H:12])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C+:3]=[C:4]([H:11])[N-:5][N:6]1[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H6N2/c1-4-2-3-5-6-4/h2-3H,1H3,(H,5,6)","InChI=1S/C4H6N2/c1-4-2-3-5-6-4/h3-4,6H,1H3/t4-/m0/s1",78.30861,77.6072,Singlet_Carbene_Intra_Disproportionation
4225,[C:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[n:5][n:6]1[H:12])([H:7])([H:8])[H:9],[C:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[n:5]([H:12])[n:6]1)([H:7])([H:8])[H:9],"InChI=1S/C4H6N2/c1-4-2-3-5-6-4/h2-3H,1H3,(H,5,6)","InChI=1S/C4H6N2/c1-4-2-3-5-6-4/h2-3H,1H3,(H,5,6)",44.85389,0.0389,
4226,[C:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[n:5][n:6]1[H:12])([H:7])([H:8])[H:9],[C:1]([C:2]#[C:3][H:10])([H:7])([H:8])[H:9].[C:4](#[N+:5][N-:6][H:12])[H:11],"InChI=1S/C4H6N2/c1-4-2-3-5-6-4/h2-3H,1H3,(H,5,6)","InChI=1S/C3H4.CH2N2/c2*1-3-2/h1H,2H3;1-2H",98.91385,93.99521,
4227,[C:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[n:5][n:6]1[H:12])([H:7])([H:8])[H:9],[C:1](/[C:2](=[C:3](/[C:4]#[N:5])[H:10])[N:6]([H:11])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H6N2/c1-4-2-3-5-6-4/h2-3H,1H3,(H,5,6)","InChI=1S/C4H6N2/c1-4(6)2-3-5/h2H,6H2,1H3/b4-2-",104.21285,-6.79046,
4228,[C:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[n:5][n:6]1[H:12])([H:7])([H:8])[H:9],[C:1](=[C:2]1[C:3]([H:9])([H:10])[C:4]([H:11])=[N:5][N:6]1[H:12])([H:7])[H:8],"InChI=1S/C4H6N2/c1-4-2-3-5-6-4/h2-3H,1H3,(H,5,6)","InChI=1S/C4H6N2/c1-4-2-3-5-6-4/h3,6H,1-2H2",85.15711,25.339029999999998,
4229,[C:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[n:5][n:6]1[H:12])([H:7])([H:8])[H:9],[C:1](=[C:2]1[C:3]([H:10])=[C:4]([H:11])[N-:5][N+:6]1([H:9])[H:12])([H:7])[H:8],"InChI=1S/C4H6N2/c1-4-2-3-5-6-4/h2-3H,1H3,(H,5,6)","InChI=1S/C4H6N2/c1-4-2-3-5-6-4/h2-3H,1,6H2",92.95384,54.41349,
4230,[C:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[n:5][n:6]1[H:12])([H:7])([H:8])[H:9],[C:1]([C:2]1=[C:3]=[C:4]([H:11])[N:5]([H:10])[N:6]1[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H6N2/c1-4-2-3-5-6-4/h2-3H,1H3,(H,5,6)","InChI=1S/C4H6N2/c1-4-2-3-5-6-4/h3,5-6H,1H3",97.52929,63.83554,
4231,[C:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[n:5][n:6]1[H:12])([H:7])([H:8])[H:9],[C:1](=[C:2]1[C:3]([H:10])=[C:4]([H:11])[N:5]=[N:6]1)([H:7])[H:8].[H:9][H:12],"InChI=1S/C4H6N2/c1-4-2-3-5-6-4/h2-3H,1H3,(H,5,6)","InChI=1S/C4H4N2.H2/c1-4-2-3-5-6-4;/h2-3H,1H2;1H",85.24074,57.46119,
4232,[C:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[n:5][n:6]1[H:12])([H:7])([H:8])[H:9],[C:1]([C:2]1=[N+:5]([N-:6][H:12])[C:4]([H:11])=[C:3]1[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H6N2/c1-4-2-3-5-6-4/h2-3H,1H3,(H,5,6)","InChI=1S/C4H6N2/c1-4-2-3-6(4)5/h2-3,5H,1H3",109.37064,91.34022,
4233,[C:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[O:5]1)([H:6])([H:7])[H:8],[C:1]([O:5][C:4]([C:3]([C:2][H:9])([H:10])[H:11])([H:12])[H:13])([H:6])([H:7])[H:8],"InChI=1S/C4H8O/c1-4-2-3-5-4/h4H,2-3H2,1H3/t4-/m0/s1","InChI=1S/C4H8O/c1-3-4-5-2/h1H,3-4H2,2H3",113.23065,88.49752,
4234,[C:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[O:5]1)([H:6])([H:7])[H:8],[C:1]([C@@:2]([C:3][H:10])([O:5][C:4]([H:11])([H:12])[H:13])[H:9])([H:6])([H:7])[H:8],"InChI=1S/C4H8O/c1-4-2-3-5-4/h4H,2-3H2,1H3/t4-/m0/s1","InChI=1S/C4H8O/c1-4(2)5-3/h1,4H,2-3H3/t4-/m1/s1",84.78234,81.40561,
4235,[C:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[O:5]1)([H:6])([H:7])[H:8],[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([O+:5]=[C-:4][H:13])[H:9])([H:6])([H:7])[H:8],"InChI=1S/C4H8O/c1-4-2-3-5-4/h4H,2-3H2,1H3/t4-/m0/s1","InChI=1S/C4H8O/c1-4(2)5-3/h3-4H,1-2H3",77.97329,45.91126,
4236,[C:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[O:5]1)([H:6])([H:7])[H:8],[C:1]([C@@:2]([C:3](=[C:4]([H:12])[H:13])[H:11])([O:5][H:10])[H:9])([H:6])([H:7])[H:8],"InChI=1S/C4H8O/c1-4-2-3-5-4/h4H,2-3H2,1H3/t4-/m0/s1","InChI=1S/C4H8O/c1-3-4(2)5/h3-5H,1H2,2H3/t4-/m0/s1",87.64053,-10.89684,
4237,[C:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[O:5]1)([H:6])([H:7])[H:8],[C:1]([C@@:2]1([H:9])[C:3]([H:10])=[C:4]([H:12])[O:5]1)([H:6])([H:7])[H:8].[H:11][H:13],"InChI=1S/C4H8O/c1-4-2-3-5-4/h4H,2-3H2,1H3/t4-/m0/s1","InChI=1S/C4H6O.H2/c1-4-2-3-5-4;/h2-4H,1H3;1H/t4-;/m0./s1",104.78806,31.79295,
4238,[C:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[O:5]1)([H:6])([H:7])[H:8],[C:1]([C:2]1=[C:3]([H:11])[C:4]([H:12])([H:13])[O:5]1)([H:6])([H:7])[H:8].[H:9][H:10],"InChI=1S/C4H8O/c1-4-2-3-5-4/h4H,2-3H2,1H3/t4-/m0/s1","InChI=1S/C4H6O.H2/c1-4-2-3-5-4;/h2H,3H2,1H3;1H",100.55960999999999,29.23743,
4239,[C:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[O:5]1)([H:6])([H:7])[H:8],[C:1]([C:2][H:9])([H:6])([H:7])[H:8].[C:3]1([H:10])([H:11])[C:4]([H:12])([H:13])[O:5]1,"InChI=1S/C4H8O/c1-4-2-3-5-4/h4H,2-3H2,1H3/t4-/m0/s1","InChI=1S/C2H4O.C2H4/c1-2-3-1;1-2/h1-2H2;1H,2H3",110.66626000000001,110.20107,
4240,[C:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[O:5]1)([H:6])([H:7])[H:8],[C:1]([C:2](=[C:3]([H:10])[H:11])[H:9])([H:6])([H:7])[H:8].[C:4](=[O:5])([H:12])[H:13],"InChI=1S/C4H8O/c1-4-2-3-5-4/h4H,2-3H2,1H3/t4-/m0/s1","InChI=1S/C3H6.CH2O/c1-3-2;1-2/h3H,1H2,2H3;1H2",51.36882,7.318989999999999,2+2_cycloaddition
4241,[C:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[O:5]1)([H:6])([H:7])[H:8],[C-:2]1([H:9])[C:3]([H:10])([H:11])[C:4]([H:13])=[O+:5]1.[C:1]([H:6])([H:7])([H:8])[H:12],"InChI=1S/C4H8O/c1-4-2-3-5-4/h4H,2-3H2,1H3/t4-/m0/s1","InChI=1S/C3H4O.CH4/c1-2-4-3-1;/h2-3H,1H2;1H4",84.91091999999999,67.47556,
4242,[C:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[O:5]1)([H:6])([H:7])[H:8],[C:1](=[C:2]1[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[O:5]1)([H:6])[H:7].[H:8][H:9],"InChI=1S/C4H8O/c1-4-2-3-5-4/h4H,2-3H2,1H3/t4-/m0/s1",InChI=1S/C4H6O.H2/c1-4-2-3-5-4;/h1-3H2;1H,96.02601,24.692320000000002,
4243,[C:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[O:5]1)([H:6])([H:7])[H:8],[C:1]([C@@:2]([C:3]([C:4][H:13])([H:10])[H:11])([O:5][H:12])[H:9])([H:6])([H:7])[H:8],"InChI=1S/C4H8O/c1-4-2-3-5-4/h4H,2-3H2,1H3/t4-/m0/s1","InChI=1S/C4H8O/c1-3-4(2)5/h1,4-5H,3H2,2H3/t4-/m0/s1",73.56376999999999,73.54502,
4244,[C:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[O:5]1)([H:6])([H:7])[H:8],[C:1](/[C:2](=[C:3](/[C:4]([O:5][H:11])([H:12])[H:13])[H:10])[H:9])([H:6])([H:7])[H:8],"InChI=1S/C4H8O/c1-4-2-3-5-4/h4H,2-3H2,1H3/t4-/m0/s1","InChI=1S/C4H8O/c1-2-3-4-5/h2-3,5H,4H2,1H3/b3-2+",82.07587,-10.718860000000001,
4245,[C:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[O:5]1)([H:6])([H:7])[H:8],[C:1]([C:2](=[O:5])[H:9])([H:6])([H:7])[H:8].[C:3](=[C:4]([H:12])[H:13])([H:10])[H:11],"InChI=1S/C4H8O/c1-4-2-3-5-4/h4H,2-3H2,1H3/t4-/m0/s1","InChI=1S/C2H4O.C2H4/c1-2-3;1-2/h2H,1H3;1-2H2",52.715340000000005,1.7598599999999998,2+2_cycloaddition
4246,[C:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[O:5]1)([H:6])([H:7])[H:8],[C:1]([H:6])([H:7])([H:8])[H:11].[C:2]1([H:9])=[C:3]([H:10])[C:4]([H:12])([H:13])[O:5]1,"InChI=1S/C4H8O/c1-4-2-3-5-4/h4H,2-3H2,1H3/t4-/m0/s1","InChI=1S/C3H4O.CH4/c1-2-4-3-1;/h1-2H,3H2;1H4",105.35258999999999,23.37456,
4247,[C:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[O:5]1)([H:6])([H:7])[H:8],[C:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C-:4]=[O+:5]1)([H:6])([H:7])[H:8].[H:12][H:13],"InChI=1S/C4H8O/c1-4-2-3-5-4/h4H,2-3H2,1H3/t4-/m0/s1","InChI=1S/C4H6O.H2/c1-4-2-3-5-4;/h4H,2H2,1H3;1H/t4-;/m0./s1",75.26538000000001,68.65409,
4248,[C:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[O:5]1)([H:6])([H:7])[H:8],[C-:2]1=[O+:5][C:4]([H:12])([H:13])[C:3]1([H:10])[H:11].[C:1]([H:6])([H:7])([H:8])[H:9],"InChI=1S/C4H8O/c1-4-2-3-5-4/h4H,2-3H2,1H3/t4-/m0/s1",InChI=1S/C3H4O.CH4/c1-2-4-3-1;/h1-2H2;1H4,73.71996,60.39394,
4249,[C:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[O:5]1)([H:6])([H:7])[H:8],[C:1]([C:2][C:3]([C:4]([O:5][H:9])([H:12])[H:13])([H:10])[H:11])([H:6])([H:7])[H:8],"InChI=1S/C4H8O/c1-4-2-3-5-4/h4H,2-3H2,1H3/t4-/m0/s1","InChI=1S/C4H8O/c1-2-3-4-5/h5H,3-4H2,1H3",66.61594000000001,59.774280000000005,
4250,[C:1]1([H:5])([H:6])[C:2]([H:7])([H:8])[C:3]([H:9])([H:10])[C:4]1([H:11])[H:12],[C:1]([C:2]([C:3]([H:9])([H:10])[H:12])([H:7])[H:8])([C:4][H:11])([H:5])[H:6],InChI=1S/C4H8/c1-2-4-3-1/h1-4H2,"InChI=1S/C4H8/c1-3-4-2/h1H,3-4H2,2H3",77.86927,79.0599,
4251,[C:1]1([H:5])([H:6])[C:2]([H:7])([H:8])[C:3]([H:9])([H:10])[C:4]1([H:11])[H:12],[C:1]1([H:5])([H:6])[C:2]([H:8])=[C:3]([H:10])[C:4]1([H:11])[H:12].[H:7][H:9],InChI=1S/C4H8/c1-2-4-3-1/h1-4H2,"InChI=1S/C4H6.H2/c1-2-4-3-1;/h1-2H,3-4H2;1H",110.25759,32.77624,
4252,[C:1]1([H:5])([H:6])[C:2]([H:7])([H:8])[C:3]([H:9])([H:10])[C:4]1([H:11])[H:12],[C:1](=[C:4]([H:11])[H:12])([H:5])[H:6].[C:2](=[C:3]([H:9])[H:10])([H:7])[H:8],InChI=1S/C4H8/c1-2-4-3-1/h1-4H2,InChI=1S/2C2H4/c2*1-2/h2*1-2H2,89.2211,18.57917,
4253,[C:1]([O:2][C@@:3]1([H:10])[C:4]([H:11])([H:12])[C@:5]1([C:6]([H:14])([H:15])[H:16])[H:13])([H:7])([H:8])[H:9],[C:1]([O+:2]=[C-:3][C:4]([C:5]([C:6]([H:14])([H:15])[H:16])([H:10])[H:13])([H:11])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-4-3-5(4)6-2/h4-5H,3H2,1-2H3/t4-,5+/m1/s1","InChI=1S/C5H10O/c1-3-4-5-6-2/h3-4H2,1-2H3",50.15537,34.98875,
4254,[C:1]([O:2][C@@:3]1([H:10])[C:4]([H:11])([H:12])[C@:5]1([C:6]([H:14])([H:15])[H:16])[H:13])([H:7])([H:8])[H:9],[C:1]([O:2][C:3](=[C:4]([H:11])[H:12])[H:10])([H:7])([H:8])[H:9].[C:5](=[C:6]([H:14])[H:15])([H:13])[H:16],"InChI=1S/C5H10O/c1-4-3-5(4)6-2/h4-5H,3H2,1-2H3/t4-,5+/m1/s1","InChI=1S/C3H6O.C2H4/c1-3-4-2;1-2/h3H,1H2,2H3;1-2H2",77.72285,15.09789,
4255,[C:1]([O:2][C@@:3]1([H:10])[C:4]([H:11])([H:12])[C@:5]1([C:6]([H:14])([H:15])[H:16])[H:13])([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:16].[O:2]=[C:3]([C:4]([C:5](=[C:6]([H:14])[H:15])[H:13])([H:11])[H:12])[H:10],"InChI=1S/C5H10O/c1-4-3-5(4)6-2/h4-5H,3H2,1-2H3/t4-,5+/m1/s1","InChI=1S/C4H6O.CH4/c1-2-3-4-5;/h2,4H,1,3H2;1H4",55.71464,-9.55878,
4256,[C:1]([O:2][C@@:3]1([H:10])[C:4]([H:11])([H:12])[C@:5]1([C:6]([H:14])([H:15])[H:16])[H:13])([H:7])([H:8])[H:9],[C:1]([O:2][C:6]([H:14])([H:15])[H:16])([H:7])([H:8])[H:9].[C:3]1([H:10])=[C:5]([H:13])[C:4]1([H:11])[H:12],"InChI=1S/C5H10O/c1-4-3-5(4)6-2/h4-5H,3H2,1-2H3/t4-,5+/m1/s1","InChI=1S/C3H4.C2H6O/c1-2-3-1;1-3-2/h1-2H,3H2;1-2H3",102.93489,49.51315,
4257,[C:1]([O:2][C@@:3]1([H:10])[C:4]([H:11])([H:12])[C@:5]1([C:6]([H:14])([H:15])[H:16])[H:13])([H:7])([H:8])[H:9],[C:1]([O:2][C@@:3]([C:4][H:11])([C:5]([C:6]([H:14])([H:15])[H:16])([H:12])[H:13])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-4-3-5(4)6-2/h4-5H,3H2,1-2H3/t4-,5+/m1/s1","InChI=1S/C5H10O/c1-4-5(2)6-3/h2,5H,4H2,1,3H3/t5-/m0/s1",67.09766,73.74803,
4258,[C:1]([O:2][C@@:3]1([H:10])[C:4]([H:11])([H:12])[C@:5]1([C:6]([H:14])([H:15])[H:16])[H:13])([H:7])([H:8])[H:9],[C:1]([O:2][C:3]([C:6]([C:5](=[C:4]([H:11])[H:12])[H:13])([H:14])[H:16])([H:10])[H:15])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-4-3-5(4)6-2/h4-5H,3H2,1-2H3/t4-,5+/m1/s1","InChI=1S/C5H10O/c1-3-4-5-6-2/h3H,1,4-5H2,2H3",89.58081999999999,-3.595,
4259,[C:1]([O:2][C@@:3]1([H:10])[C:4]([H:11])([H:12])[C@:5]1([C:6]([H:14])([H:15])[H:16])[H:13])([H:7])([H:8])[H:9],[C:1]([C:5]([C@@:3]1([H:10])[O:2][C:4]1([H:11])[H:12])([C:6]([H:14])([H:15])[H:16])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-4-3-5(4)6-2/h4-5H,3H2,1-2H3/t4-,5+/m1/s1","InChI=1S/C5H10O/c1-4(2)5-3-6-5/h4-5H,3H2,1-2H3/t5-/m0/s1",95.46842,-5.95757,
4260,[C:1]([O:2][C@@:3]1([H:10])[C:4]([H:11])([H:12])[C@:5]1([C:6]([H:14])([H:15])[H:16])[H:13])([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:11].[O:2]=[C:3](/[C:4](=[C:5](\[C:6]([H:14])([H:15])[H:16])[H:13])[H:12])[H:10],"InChI=1S/C5H10O/c1-4-3-5(4)6-2/h4-5H,3H2,1-2H3/t4-,5+/m1/s1","InChI=1S/C4H6O.CH4/c1-2-3-4-5;/h2-4H,1H3;1H4/b3-2-;",62.51119,-16.086679999999998,
4261,[C:1]([O:2][C@@:3]1([H:10])[C:4]([H:11])([H:12])[C@:5]1([C:6]([H:14])([H:15])[H:16])[H:13])([H:7])([H:8])[H:9],[C:1]([C:5]([C:4]([C:3](=[O:2])[H:10])([H:11])[H:12])([C:6]([H:14])([H:15])[H:16])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-4-3-5(4)6-2/h4-5H,3H2,1-2H3/t4-,5+/m1/s1","InChI=1S/C5H10O/c1-5(2)3-4-6/h4-5H,3H2,1-2H3",96.33057,-27.603659999999998,
4262,[C:1]([O:2][C@@:3]1([H:10])[C:4]([H:11])([H:12])[C@:5]1([C:6]([H:14])([H:15])[H:16])[H:13])([H:7])([H:8])[H:9],[C:1]([O:2][C@@:5]([C:3](=[C:4]([H:11])[H:12])[H:10])([C:6]([H:14])([H:15])[H:16])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-4-3-5(4)6-2/h4-5H,3H2,1-2H3/t4-,5+/m1/s1","InChI=1S/C5H10O/c1-4-5(2)6-3/h4-5H,1H2,2-3H3/t5-/m1/s1",59.428059999999995,-4.70711,
4263,[C:1]([O:2][C@@:3]1([H:10])[C:4]([H:11])([H:12])[C@:5]1([C:6]([H:14])([H:15])[H:16])[H:13])([H:7])([H:8])[H:9],[C:1]([O+:2]=[C-:3][C:5]([C:4]([H:10])([H:11])[H:12])([C:6]([H:14])([H:15])[H:16])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-4-3-5(4)6-2/h4-5H,3H2,1-2H3/t4-,5+/m1/s1","InChI=1S/C5H10O/c1-5(2)4-6-3/h5H,1-3H3",53.10312,34.673429999999996,
4264,[C:1]([O:2][C@@:3]1([H:10])[C:4]([H:11])([H:12])[C@:5]1([C:6]([H:14])([H:15])[H:16])[H:13])([H:7])([H:8])[H:9],[C:1]([O:2]/[C:3](=[C:4](/[C:5]([C:6]([H:14])([H:15])[H:16])([H:12])[H:13])[H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-4-3-5(4)6-2/h4-5H,3H2,1-2H3/t4-,5+/m1/s1","InChI=1S/C5H10O/c1-3-4-5-6-2/h4-5H,3H2,1-2H3/b5-4+",67.09821,-9.28898,
4265,[C:1]([O:2][C@@:3]1([H:10])[C:4]([H:11])([H:12])[C@:5]1([C:6]([H:14])([H:15])[H:16])[H:13])([H:7])([H:8])[H:9],[C:1]([O:2][H:15])([H:7])([H:8])[H:9].[C@@:3]12([H:10])[C:4]([H:11])([H:12])[C@:5]1([H:13])[C:6]2([H:14])[H:16],"InChI=1S/C5H10O/c1-4-3-5(4)6-2/h4-5H,3H2,1-2H3/t4-,5+/m1/s1","InChI=1S/C4H6.CH4O/c1-3-2-4(1)3;1-2/h3-4H,1-2H2;2H,1H3/t3-,4+;",93.45418000000001,31.58349,
4266,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[O:5][C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@@:4]1([O:5][C:6]([H:14])([H:15])[H:16])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-5-2-3-6-4-5/h5H,2-4H2,1H3/t5-/m0/s1","InChI=1S/C5H10O/c1-4-3-5(4)6-2/h4-5H,3H2,1-2H3/t4-,5-/m0/s1",109.455,25.054029999999997,
4267,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[O:5][C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([O:5][C:4]([C:3]([C:2](=[C:6]([H:15])[H:16])[H:10])([H:11])[H:12])([H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-5-2-3-6-4-5/h5H,2-4H2,1H3/t5-/m0/s1","InChI=1S/C5H10O/c1-3-4-5-6-2/h3H,1,4-5H2,2H3",102.44064,18.65648,
4268,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[O:5][C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:6]([H:15])[H:16])[H:10])([H:7])([H:8])[H:9].[C:3]([C:4](=[O:5])[H:14])([H:11])([H:12])[H:13],"InChI=1S/C5H10O/c1-5-2-3-6-4-5/h5H,2-4H2,1H3/t5-/m0/s1","InChI=1S/C3H6.C2H4O/c1-3-2;1-2-3/h3H,1H2,2H3;2H,1H3",73.75571,13.539370000000002,
4269,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[O:5][C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([C:2]([C:6](=[O:5])[H:16])([H:10])[H:15])([H:7])([H:8])[H:9].[C:3](=[C:4]([H:13])[H:14])([H:11])[H:12],"InChI=1S/C5H10O/c1-5-2-3-6-4-5/h5H,2-4H2,1H3/t5-/m0/s1","InChI=1S/C3H6O.C2H4/c1-2-3-4;1-2/h3H,2H2,1H3;1-2H2",70.42196,17.50255,
4270,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[O:5][C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[O+:5]=[C-:6]1)([H:7])([H:8])[H:9].[H:15][H:16],"InChI=1S/C5H10O/c1-5-2-3-6-4-5/h5H,2-4H2,1H3/t5-/m0/s1","InChI=1S/C5H8O.H2/c1-5-2-3-6-4-5;/h5H,2-3H2,1H3;1H/t5-;/m0./s1",71.67938000000001,64.40584,
4271,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[O:5][C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([C:6]([C:2](=[C:3]([H:11])[H:12])[H:10])([H:15])[H:16])([H:7])([H:8])[H:9].[C:4](=[O:5])([H:13])[H:14],"InChI=1S/C5H10O/c1-5-2-3-6-4-5/h5H,2-4H2,1H3/t5-/m0/s1","InChI=1S/C4H8.CH2O/c1-3-4-2;1-2/h3H,1,4H2,2H3;1H2",85.65332,22.87216,
4272,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[O:5][C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C-:4]([H:13])[O+:5]=[C:6]1[H:16])([H:7])([H:8])[H:9].[H:14][H:15],"InChI=1S/C5H10O/c1-5-2-3-6-4-5/h5H,2-4H2,1H3/t5-/m0/s1","InChI=1S/C5H8O.H2/c1-5-2-3-6-4-5;/h3-5H,2H2,1H3;1H/t5-;/m0./s1",69.47932,70.82387,
4273,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[O:5][C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([C:4]([O+:5]=[C-:6][H:15])([H:13])[H:14])([H:11])[H:12])([H:10])[H:16])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-5-2-3-6-4-5/h5H,2-4H2,1H3/t5-/m0/s1","InChI=1S/C5H10O/c1-3-4-5-6-2/h2H,3-5H2,1H3",71.42865,63.278240000000004,
4274,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[O:5][C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([C:2][H:10])([H:7])([H:8])[H:9].[C:3]1([H:11])([H:12])[C:4]([H:13])([H:14])[O:5][C:6]1([H:15])[H:16],"InChI=1S/C5H10O/c1-5-2-3-6-4-5/h5H,2-4H2,1H3/t5-/m0/s1","InChI=1S/C3H6O.C2H4/c1-2-4-3-1;1-2/h1-3H2;1H,2H3",132.92225,123.98318,
4275,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[O:5][C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([C:2]1=[C:6]([H:16])[O:5][C:4]([H:13])([H:14])[C:3]1([H:11])[H:12])([H:7])([H:8])[H:9].[H:10][H:15],"InChI=1S/C5H10O/c1-5-2-3-6-4-5/h5H,2-4H2,1H3/t5-/m0/s1","InChI=1S/C5H8O.H2/c1-5-2-3-6-4-5;/h4H,2-3H2,1H3;1H",100.64766,22.85547,
4276,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[O:5][C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([C@@:2]([C:3](=[C:4]([H:13])[H:14])[H:12])([C:6]([O:5][H:11])([H:15])[H:16])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-5-2-3-6-4-5/h5H,2-4H2,1H3/t5-/m0/s1","InChI=1S/C5H10O/c1-3-5(2)4-6/h3,5-6H,1,4H2,2H3/t5-/m0/s1",73.16391999999999,7.32048,
4277,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[O:5][C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:12])=[C:4]([H:13])[O:5][C:6]1([H:15])[H:16])([H:7])([H:8])[H:9].[H:11][H:14],"InChI=1S/C5H10O/c1-5-2-3-6-4-5/h5H,2-4H2,1H3/t5-/m0/s1","InChI=1S/C5H8O.H2/c1-5-2-3-6-4-5;/h2-3,5H,4H2,1H3;1H/t5-;/m0./s1",100.78133000000001,24.712,
4278,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[O:5][C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1](/[C:2](=[C:3](/[C:4]([H:11])([H:13])[H:14])[H:12])[H:10])([H:7])([H:8])[H:9].[O:5]=[C:6]([H:15])[H:16],"InChI=1S/C5H10O/c1-5-2-3-6-4-5/h5H,2-4H2,1H3/t5-/m0/s1","InChI=1S/C4H8.CH2O/c1-3-4-2;1-2/h3-4H,1-2H3;1H2/b4-3+;",76.01313,19.49251,
4279,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[O:5][C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:11])([H:12])[H:14])([C:6]([O+:5]=[C-:4][H:13])([H:15])[H:16])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-5-2-3-6-4-5/h5H,2-4H2,1H3/t5-/m0/s1","InChI=1S/C5H10O/c1-5(2)4-6-3/h3,5H,4H2,1-2H3",72.56402,61.966809999999995,
4280,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[O:5][C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C-:4]=[O+:5][C:6]1([H:15])[H:16])([H:7])([H:8])[H:9].[H:13][H:14],"InChI=1S/C5H10O/c1-5-2-3-6-4-5/h5H,2-4H2,1H3/t5-/m0/s1","InChI=1S/C5H8O.H2/c1-5-2-3-6-4-5;/h5H,2,4H2,1H3;1H/t5-;/m0./s1",72.42796,64.96389,
4281,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[O:5][C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:15].[C:2]1([H:10])=[C:6]([H:16])[O:5][C:4]([H:13])([H:14])[C:3]1([H:11])[H:12],"InChI=1S/C5H10O/c1-5-2-3-6-4-5/h5H,2-4H2,1H3/t5-/m0/s1","InChI=1S/C4H6O.CH4/c1-2-4-5-3-1;/h1,3H,2,4H2;1H4",99.20728000000001,12.70787,
4282,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[O:4][C:5]([H:12])([H:13])[C@@:6]12[H:14],[C:1]([C:2]([C:3](=[O:4])[H:11])([H:9])[H:10])([C:6](=[C:5]([H:12])[H:13])[H:14])([H:7])[H:8],"InChI=1S/C5H8O/c1-4-2-6-3-5(1)4/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H8O/c1-2-3-4-5-6/h2,5H,1,3-4H2",53.03872,-9.5445,
4283,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[O:4][C:5]([H:12])([H:13])[C@@:6]12[H:14],[C:1](=[C:2]([C:6](=[C:5]([H:12])[H:13])[H:14])[H:9])([H:7])[H:8].[C:3](=[O:4])([H:10])[H:11],"InChI=1S/C5H8O/c1-4-2-6-3-5(1)4/h4-5H,1-3H2/t4-,5+","InChI=1S/C4H6.CH2O/c1-3-4-2;1-2/h3-4H,1-2H2;1H2",66.22843,17.2131,
4284,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[O:4][C:5]([H:12])([H:13])[C@@:6]12[H:14],[C:1](\[C:2](=[C:3]([H:10])[H:11])[H:9])(=[C:6](\[C:5]([O:4][H:7])([H:12])[H:13])[H:14])[H:8],"InChI=1S/C5H8O/c1-4-2-6-3-5(1)4/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H8O/c1-2-3-4-5-6/h2-4,6H,1,5H2/b4-3-",83.12765999999999,-0.25671,
4285,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[O:4][C:5]([H:12])([H:13])[C@@:6]12[H:14],[C:1]1([H:7])([H:8])[C:2]([H:9])=[C:3]([H:10])[O:4][C:5]([H:12])=[C:6]1[H:14].[H:11][H:13],"InChI=1S/C5H8O/c1-4-2-6-3-5(1)4/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H6O.H2/c1-2-4-6-5-3-1;/h2-5H,1H2;1H",65.47625,11.54712,
4286,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[O:4][C:5]([H:12])([H:13])[C@@:6]12[H:14],[C:1]1([H:7])([H:8])[C:3]([H:10])([H:11])[O:4][C:5]([H:12])([H:13])[C@@:6]1([C:2][H:9])[H:14],"InChI=1S/C5H8O/c1-4-2-6-3-5(1)4/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H8O/c1-5-2-3-6-4-5/h1,5H,2-4H2/t5-/m1/s1",113.44377,76.24505,
4287,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[O:4][C:5]([H:12])([H:13])[C@@:6]12[H:14],[C:1]1([H:7])([H:8])[C:2]([C:6](=[C:5]([H:12])[H:13])[H:14])([H:9])[C:3]([H:10])([H:11])[O:4]1,"InChI=1S/C5H8O/c1-4-2-6-3-5(1)4/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H8O/c1-2-5-3-6-4-5/h2,5H,1,3-4H2",80.77176999999999,15.09104,
4288,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[O:4][C:5]([H:12])([H:13])[C@@:6]12[H:14],[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[O+:4]=[C-:5][C@@:6]12[H:14].[H:12][H:13],"InChI=1S/C5H8O/c1-4-2-6-3-5(1)4/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H6O.H2/c1-4-2-6-3-5(1)4;/h4-5H,1-2H2;1H/t4-,5+;/m0./s1",72.5771,63.9614,
4289,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[O:4][C:5]([H:12])([H:13])[C@@:6]12[H:14],[C:1](=[C:6]([C:5]([O:4][C:3](=[C:2]([H:9])[H:11])[H:10])([H:12])[H:13])[H:14])([H:7])[H:8],"InChI=1S/C5H8O/c1-4-2-6-3-5(1)4/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H8O/c1-3-5-6-4-2/h3-4H,1-2,5H2",80.28284000000001,6.6959100000000005,
4290,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[O:4][C:5]([H:12])([H:13])[C@@:6]12[H:14],[C:1]([C@@:6]1([H:14])[C:2][C:3]([H:10])([H:11])[O:4][C:5]1([H:12])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-4-2-6-3-5(1)4/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H8O/c1-5-2-3-6-4-5/h5H,3-4H2,1H3/t5-/m0/s1",61.59094,62.89088,
4291,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[O:4][C:5]([H:12])([H:13])[C@@:6]12[H:14],[C:1](=[C:6]([C:5]([O:4][C:3]([C:2][H:9])([H:10])[H:11])([H:12])[H:13])[H:14])([H:7])[H:8],"InChI=1S/C5H8O/c1-4-2-6-3-5(1)4/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H8O/c1-3-5-6-4-2/h2-3H,1,4-5H2",93.92238,94.68594,
4292,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[O:4][C:5]([H:12])([H:13])[C@@:6]12[H:14],[C:1](=[C:6](/[C:2](=[C:3](\[O:4][C:5]([H:11])([H:12])[H:13])[H:10])[H:9])[H:14])([H:7])[H:8],"InChI=1S/C5H8O/c1-4-2-6-3-5(1)4/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H8O/c1-3-4-5-6-2/h3-5H,1H2,2H3/b5-4-",116.64883,7.027260000000001,
4293,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[O:4][C:5]([H:12])([H:13])[C@@:6]12[H:14],[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@:3]1([H:10])[O:4][C:5]([H:12])([H:13])[C:6]2([H:11])[H:14],"InChI=1S/C5H8O/c1-4-2-6-3-5(1)4/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H8O/c1-2-6-5-3-4(1)5/h4-5H,1-3H2/t4-,5+/m0/s1",89.66288,2.8965,
4294,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[O:4][C:5]([H:12])([H:13])[C@@:6]12[H:14],[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[O:4][C:5]([H:12])=[C:6]12.[H:13][H:14],"InChI=1S/C5H8O/c1-4-2-6-3-5(1)4/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H6O.H2/c1-4-2-6-3-5(1)4;/h2,5H,1,3H2;1H/t5-;/m0./s1",102.15066,58.691880000000005,
4295,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[O:4][C:5]([H:12])([H:13])[C@@:6]12[H:14],[C:1]([C:2][H:9])([C:6]1([H:14])[C:3]([H:10])([H:11])[O:4][C:5]1([H:12])[H:13])([H:7])[H:8],"InChI=1S/C5H8O/c1-4-2-6-3-5(1)4/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H8O/c1-2-5-3-6-4-5/h1,5H,2-4H2",104.14916,99.26085,
4296,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[O:4][C:5]([H:12])([H:13])[C@@:6]12[H:14],[C:1]1([H:7])([H:8])[C:2]([C:3]([O+:4]=[C-:5][H:13])([H:10])[H:11])([H:9])[C:6]1([H:12])[H:14],"InChI=1S/C5H8O/c1-4-2-6-3-5(1)4/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H8O/c1-6-4-5-2-3-5/h1,5H,2-4H2",74.32591,66.14219,
4297,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[O:4][C:5]([H:12])([H:13])[C@@:6]12[H:14],[C:1]1([H:7])=[C:6]([H:14])[C:2]1([C:3]([O:4][C:5]([H:8])([H:12])[H:13])([H:10])[H:11])[H:9],"InChI=1S/C5H8O/c1-4-2-6-3-5(1)4/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H8O/c1-6-4-5-2-3-5/h2-3,5H,4H2,1H3",93.86115,44.131640000000004,
4298,[C:1]([C:2]([C:3]([C:4]([C:5]([O:6][H:18])([H:16])[H:17])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([H:10])([H:11])[H:16])([H:7])([H:8])[H:9].[C:3]1([H:12])([H:13])[C:4]([H:14])([H:15])[C:5]1([O:6][H:18])[H:17],"InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3","InChI=1S/C3H6O.C2H6/c4-3-1-2-3;1-2/h3-4H,1-2H2;1-2H3",92.65065,24.37396,
4299,[C:1]([C:2]([C:3]([C:4]([C:5]([O:6][H:18])([H:16])[H:17])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3](=[C:4]([H:14])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9].[C:5](=[O:6])([H:16])[H:17].[H:13][H:18],"InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3","InChI=1S/C4H8.CH2O.H2/c1-3-4-2;1-2;/h3H,1,4H2,2H3;1H2;1H",61.601000000000006,44.91896,
4300,[C:1]([C:2]([C:3]([C:4]([C:5]([O:6][H:18])([H:16])[H:17])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([C:4]([C:5](=[O:6])[H:16])([H:15])[H:17])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9].[H:14][H:18],"InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3","InChI=1S/C5H10O.H2/c1-2-3-4-5-6;/h5H,2-4H2,1H3;1H",75.88554,16.64361,
4301,[C:1]([C:2]([C:3]([C:4]([C:5]([O:6][H:18])([H:16])[H:17])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([C:4]([H:14])([H:15])[H:16])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9].[C:5]([O:6][H:18])[H:17],"InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3","InChI=1S/C4H10.CH2O/c1-3-4-2;1-2/h3-4H2,1-2H3;1-2H",72.48088,69.78628,
4302,[C:1]([C:2]([C:3]([C:4]([C:5]([O:6][H:18])([H:16])[H:17])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([C:4](=[C:5]([H:16])[H:17])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9].[O:6]([H:14])[H:18],"InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3","InChI=1S/C5H10.H2O/c1-3-5-4-2;/h3H,1,4-5H2,2H3;1H2",60.35244,9.45169,"1,3_Insertion_ROR"
4303,[C:1]([C@@:2]1([C:5](=[O:6])[H:13])[C:3]([H:10])([H:11])[N:4]1[H:12])([H:7])([H:8])[H:9],[C:1]([C@@:2]([N:4]([C:3][H:11])[H:12])([C:5](=[O:6])[H:13])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4(3-6)2-5-4/h3,5H,2H2,1H3/t4-/m0/s1","InChI=1S/C4H7NO/c1-4(3-6)5-2/h2-5H,1H3/t4-/m1/s1",73.357,37.768840000000004,
4304,[C:1]([C@@:2]1([C:5](=[O:6])[H:13])[C:3]([H:10])([H:11])[N:4]1[H:12])([H:7])([H:8])[H:9],[C:1]([C:2]([N:4]([C+:3]([H:10])[H:11])[H:12])=[C:5]([O-:6])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4(3-6)2-5-4/h3,5H,2H2,1H3/t4-/m0/s1","InChI=1S/C4H7NO/c1-4(3-6)5-2/h3,5H,2H2,1H3",30.91255,3.83014,
4305,[C:1]([C@@:2]1([C:5](=[O:6])[H:13])[C:3]([H:10])([H:11])[N:4]1[H:12])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([C:5]#[O+:6])[C-:3]([H:10])[N:4]1[H:12])([H:7])([H:8])[H:9].[H:11][H:13],"InChI=1S/C4H7NO/c1-4(3-6)2-5-4/h3,5H,2H2,1H3/t4-/m0/s1","InChI=1S/C4H5NO.H2/c1-4(3-6)2-5-4;/h2,5H,1H3;1H/t4-;/m0./s1",109.09353,72.77986999999999,
4306,[C:1]([C@@:2]1([C:5](=[O:6])[H:13])[C:3]([H:10])([H:11])[N:4]1[H:12])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([C:5](=[O:6])[H:13])[C-:3]([H:10])[N+:4]1([H:11])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4(3-6)2-5-4/h3,5H,2H2,1H3/t4-/m0/s1","InChI=1S/C4H7NO/c1-4(3-6)2-5-4/h2-3H,5H2,1H3/t4-/m0/s1",63.01373,49.05024,
4307,[C:1]([C@@:2]1([C:5](=[O:6])[H:13])[C:3]([H:10])([H:11])[N:4]1[H:12])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([C:5]([O:6][H:12])([H:10])[H:13])[C:3]([H:11])=[N:4]1)([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4(3-6)2-5-4/h3,5H,2H2,1H3/t4-/m0/s1","InChI=1S/C4H7NO/c1-4(3-6)2-5-4/h2,6H,3H2,1H3/t4-/m0/s1",70.93649,19.8871,
4308,[C:1]([C@@:2]1([C:5](=[O:6])[H:13])[C:3]([H:10])([H:11])[N:4]1[H:12])([H:7])([H:8])[H:9],[C:1](=[C:2]([C:5](=[O:6])[H:13])[H:9])([H:7])[H:8].[C:3](=[N:4][H:12])([H:10])[H:11],"InChI=1S/C4H7NO/c1-4(3-6)2-5-4/h3,5H,2H2,1H3/t4-/m0/s1","InChI=1S/C3H4O.CH3N/c1-2-3-4;1-2/h2-3H,1H2;2H,1H2",84.08914,13.54636,
4309,[C:1]([C@@:2]1([C:5](=[O:6])[H:13])[C:3]([H:10])([H:11])[N:4]1[H:12])([H:7])([H:8])[H:9],[C:1]([C:2][C:3]([N:4]([C:5](=[O:6])[H:13])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4(3-6)2-5-4/h3,5H,2H2,1H3/t4-/m0/s1","InChI=1S/C4H7NO/c1-2-3-5-4-6/h4H,3H2,1H3,(H,5,6)",69.47263000000001,54.31101999999999,
4310,[C:1]([C@@:2]1([C:5](=[O:6])[H:13])[C:3]([H:10])([H:11])[N:4]1[H:12])([H:7])([H:8])[H:9],[C:1]([N+:4]1([H:12])[C:2](=[C:5]([O-:6])[H:13])[C:3]1([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4(3-6)2-5-4/h3,5H,2H2,1H3/t4-/m0/s1","InChI=1S/C4H7NO/c1-5-2-4(5)3-6/h3,6H,2H2,1H3",94.76934,46.42581,
4311,[C:1]([C@@:2]1([C:5](=[O:6])[H:13])[C:3]([H:10])([H:11])[N:4]1[H:12])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:5]=[O:6])[H:13])([H:7])([H:8])[H:9].[C:3](=[N:4][H:12])([H:10])[H:11],"InChI=1S/C4H7NO/c1-4(3-6)2-5-4/h3,5H,2H2,1H3/t4-/m0/s1","InChI=1S/C3H4O.CH3N/c1-2-3-4;1-2/h2H,1H3;2H,1H2",60.77843000000001,10.01575,
4312,[C:1]([C@@:2]1([C:5](=[O:6])[H:13])[C:3]([H:10])([H:11])[N:4]1[H:12])([H:7])([H:8])[H:9],[C:1]([O:6]/[C:5](=[C:2]1/[C:3]([H:10])([H:11])[N:4]1[H:12])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4(3-6)2-5-4/h3,5H,2H2,1H3/t4-/m0/s1","InChI=1S/C4H7NO/c1-6-3-4-2-5-4/h3,5H,2H2,1H3/b4-3-",91.64439,32.47789,ketoenol
4313,[C:1]([C@@:2]1([C:5](=[O:6])[H:13])[C:3]([H:10])([H:11])[N:4]1[H:12])([H:7])([H:8])[H:9],[C:1]([C:2]([N:4]([C:3][H:11])[H:12])=[C:5]([O:6][H:10])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4(3-6)2-5-4/h3,5H,2H2,1H3/t4-/m0/s1","InChI=1S/C4H7NO/c1-4(3-6)5-2/h2-3,5-6H,1H3",66.42441,40.4085,
4314,[C:1]([C@@:2]1([C:5](=[O:6])[H:13])[C:3]([H:10])([H:11])[N:4]1[H:12])([H:7])([H:8])[H:9],[C:1]([C:2][N:4]([C:3]([C:5](=[O:6])[H:13])([H:10])[H:11])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4(3-6)2-5-4/h3,5H,2H2,1H3/t4-/m0/s1","InChI=1S/C4H7NO/c1-2-5-3-4-6/h4-5H,3H2,1H3",71.40805,36.90514,
4315,[C:1]([C@@:2]1([C:5](=[O:6])[H:13])[C:3]([H:10])([H:11])[N:4]1[H:12])([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:11].[C:2]1([C:5](=[O:6])[H:13])=[C:3]([H:10])[N:4]1[H:12],"InChI=1S/C4H7NO/c1-4(3-6)2-5-4/h3,5H,2H2,1H3/t4-/m0/s1","InChI=1S/C3H3NO.CH4/c5-2-3-1-4-3;/h1-2,4H;1H4",120.64792,57.630390000000006,
4316,[C:1]([C@@:2]1([C:5](=[O:6])[H:13])[C:3]([H:10])([H:11])[N:4]1[H:12])([H:7])([H:8])[H:9],[C-:5]#[O+:6].[C:1]([C:2]1=[C:3]([H:11])[N:4]1[H:12])([H:7])([H:8])[H:9].[H:10][H:13],"InChI=1S/C4H7NO/c1-4(3-6)2-5-4/h3,5H,2H2,1H3/t4-/m0/s1","InChI=1S/C3H5N.CO.H2/c1-3-2-4-3;1-2;/h2,4H,1H3;;1H",78.25591,69.2493,
4317,[C:1]([C@@:2]1([C:5](=[O:6])[H:13])[C:3]([H:10])([H:11])[N:4]1[H:12])([H:7])([H:8])[H:9],[C:1](/[C:2]([C:3]([C:5](=[O:6])[H:13])([H:10])[H:11])=[N:4]/[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4(3-6)2-5-4/h3,5H,2H2,1H3/t4-/m0/s1","InChI=1S/C4H7NO/c1-4(5)2-3-6/h3,5H,2H2,1H3/b5-4-",66.3667,-15.04222,
4318,[C:1]([C@@:2]1([C:5](=[O:6])[H:13])[C:3]([H:10])([H:11])[N:4]1[H:12])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]([H:10])[H:11])[N:4]([C:5](=[O:6])[H:13])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4(3-6)2-5-4/h3,5H,2H2,1H3/t4-/m0/s1","InChI=1S/C4H7NO/c1-4(2)5-3-6/h3H,1H2,2H3,(H,5,6)",63.92896,-26.730459999999997,
4319,[C:1]([C@@:2]1([C:5](=[O:6])[H:13])[C:3]([H:10])([H:11])[N:4]1[H:12])([H:7])([H:8])[H:9],[C:1](/[C:2](=[N:4]\[C:3]([H:10])([H:11])[H:12])[C:5](=[O:6])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4(3-6)2-5-4/h3,5H,2H2,1H3/t4-/m0/s1","InChI=1S/C4H7NO/c1-4(3-6)5-2/h3H,1-2H3/b5-4+",65.50348000000001,-12.02057,
4320,[C:1]([C@@:2]1([C:5](=[O:6])[H:13])[C:3]([H:10])([H:11])[N:4]1[H:12])([H:7])([H:8])[H:9],[C:1](/[C:2]([N:4]=[C:3]([H:10])[H:11])=[C:5](/[O:6][H:12])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4(3-6)2-5-4/h3,5H,2H2,1H3/t4-/m0/s1","InChI=1S/C4H7NO/c1-4(3-6)5-2/h3,6H,2H2,1H3/b4-3-",44.91173,-12.8552,
4321,[C:1]([C@@:2]1([C:5](=[O:6])[H:13])[C:3]([H:10])([H:11])[N:4]1[H:12])([H:7])([H:8])[H:9],[C-:5]#[O+:6].[C:1](=[C:2]1[C:3]([H:10])([H:11])[N:4]1[H:12])([H:7])[H:8].[H:9][H:13],"InChI=1S/C4H7NO/c1-4(3-6)2-5-4/h3,5H,2H2,1H3/t4-/m0/s1","InChI=1S/C3H5N.CO.H2/c1-3-2-4-3;1-2;/h4H,1-2H2;;1H",73.16579,40.781929999999996,
4322,[C:1]([C@@:2]1([C:5](=[O:6])[H:13])[C:3]([H:10])([H:11])[N:4]1[H:12])([H:7])([H:8])[H:9],[C:1]([C:5](=[O:6])[H:13])([H:7])([H:8])[H:9].[C:2]1[C:3]([H:10])([H:11])[N:4]1[H:12],"InChI=1S/C4H7NO/c1-4(3-6)2-5-4/h3,5H,2H2,1H3/t4-/m0/s1","InChI=1S/C2H3N.C2H4O/c1-2-3-1;1-2-3/h3H,1H2;2H,1H3",71.52291,68.96876,
4323,[C:1]([C@@:2]1([C:5](=[O:6])[H:13])[C:3]([H:10])([H:11])[N:4]1[H:12])([H:7])([H:8])[H:9],[C:1]([C:2](/[C:3](=[N:4]\[H:12])[H:11])=[C:5](/[O:6][H:10])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4(3-6)2-5-4/h3,5H,2H2,1H3/t4-/m0/s1","InChI=1S/C4H7NO/c1-4(2-5)3-6/h2-3,5-6H,1H3/b4-3-,5-2-",49.71483,-11.840710000000001,
4324,[C:1]([C@@:2]1([C:5](=[O:6])[H:13])[C:3]([H:10])([H:11])[N:4]1[H:12])([H:7])([H:8])[H:9],[C-:5]#[O+:6].[C:1]([C:2]([C:3]([H:10])([H:11])[H:13])=[N:4][H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4(3-6)2-5-4/h3,5H,2H2,1H3/t4-/m0/s1","InChI=1S/C3H7N.CO/c1-3(2)4;1-2/h4H,1-2H3;",66.21703000000001,-19.06109,
4325,[C:1]([C@@:2]1([C:5](=[O:6])[H:13])[C:3]([H:10])([H:11])[N:4]1[H:12])([H:7])([H:8])[H:9],[C-:5]#[O+:6].[C:1]([C:2](=[C:3]([H:10])[H:11])[N:4]([H:12])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4(3-6)2-5-4/h3,5H,2H2,1H3/t4-/m0/s1","InChI=1S/C3H7N.CO/c1-3(2)4;1-2/h1,4H2,2H3;",66.38190999999999,-14.79243,
4326,[C:1]([C@@:2]1([C:5](=[O:6])[H:13])[C:3]([H:10])([H:11])[N:4]1[H:12])([H:7])([H:8])[H:9],[C:1]([C:2]1=[C:5]([H:13])[O:6][N:4]([H:12])[C:3]1([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4(3-6)2-5-4/h3,5H,2H2,1H3/t4-/m0/s1","InChI=1S/C4H7NO/c1-4-2-5-6-3-4/h3,5H,2H2,1H3",49.48141,26.67628,ketoenol
4327,[C:1]([C@@:2]1([C:5](=[O:6])[H:13])[C:3]([H:10])([H:11])[N:4]1[H:12])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([C:5][O:6][H:13])[C:3]([H:10])([H:11])[N:4]1[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4(3-6)2-5-4/h3,5H,2H2,1H3/t4-/m0/s1","InChI=1S/C4H7NO/c1-4(3-6)2-5-4/h5-6H,2H2,1H3/t4-/m0/s1",79.3356,55.250890000000005,
4328,[C:1]([C@@:2]1([C:5](=[O:6])[H:13])[C:3]([H:10])([H:11])[N:4]1[H:12])([H:7])([H:8])[H:9],[C:1]([C:2]1=[N:4][C:3]1([H:10])[H:11])([H:7])([H:8])[H:9].[C:5](=[O:6])([H:12])[H:13],"InChI=1S/C4H7NO/c1-4(3-6)2-5-4/h3,5H,2H2,1H3/t4-/m0/s1","InChI=1S/C3H5N.CH2O/c1-3-2-4-3;1-2/h2H2,1H3;1H2",77.21108000000001,34.210029999999996,
4329,[C:1]([C@@:2]1([C:5](=[O:6])[H:13])[C:3]([H:10])([H:11])[N:4]1[H:12])([H:7])([H:8])[H:9],[C:1]([C:3]([N:4]([C+:2]=[C:5]([O-:6])[H:13])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4(3-6)2-5-4/h3,5H,2H2,1H3/t4-/m0/s1","InChI=1S/C4H7NO/c1-2-5-3-4-6/h4-5H,2H2,1H3",94.55606999999999,24.28197,
4330,[O:1]=[C:2]([C:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])[H:7],[O:1]=[C:2]([C:3]([C:4]([C:5]([C:6][H:14])([H:11])[H:12])([H:9])[H:10])([H:8])[H:13])[H:7],"InChI=1S/C5H8O/c6-4-5-2-1-3-5/h4-5H,1-3H2","InChI=1S/C5H8O/c1-2-3-4-5-6/h1,5H,2-4H2",77.88138000000001,81.80591,
4331,[O:1]=[C:2]([C:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])[H:7],[O:1]=[C:2]([C:6]([C:3]1([H:8])[C:4]([H:9])([H:10])[C:5]1([H:11])[H:12])([H:13])[H:14])[H:7],"InChI=1S/C5H8O/c6-4-5-2-1-3-5/h4-5H,1-3H2","InChI=1S/C5H8O/c6-4-3-5-1-2-5/h4-5H,1-3H2",83.7249,2.50949,
4332,[O:1]=[C:2]([C:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])[H:7],[O:1](/[C:2](=[C:3](\[C:4]([C:5](=[C:6]([H:13])[H:14])[H:12])([H:9])[H:10])[H:8])[H:7])[H:11],"InChI=1S/C5H8O/c6-4-5-2-1-3-5/h4-5H,1-3H2","InChI=1S/C5H8O/c1-2-3-4-5-6/h2,4-6H,1,3H2/b5-4-",47.6628,-0.35145,
4333,[O:1]=[C:2]([C:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])[H:7],[C:3]1([H:8])=[C:6]([H:14])[C:5]([H:11])([H:12])[C:4]1([H:9])[H:10].[H:7][H:13].[O+:1]#[C-:2],"InChI=1S/C5H8O/c6-4-5-2-1-3-5/h4-5H,1-3H2","InChI=1S/C4H6.CO.H2/c1-2-4-3-1;1-2;/h1-2H,3-4H2;;1H",63.10196,33.4478,
4334,[O:1]=[C:2]([C:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])[H:7],[O:1]=[C:2]([C@:3]([C:4][H:9])([C:6]([C:5]([H:10])([H:11])[H:12])([H:13])[H:14])[H:8])[H:7],"InChI=1S/C5H8O/c6-4-5-2-1-3-5/h4-5H,1-3H2","InChI=1S/C5H8O/c1-3-5(2)4-6/h2,4-5H,3H2,1H3/t5-/m1/s1",78.10211,79.74476999999999,
4335,[O:1]=[C:2]([C:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])[H:7],[C:3]1([H:7])([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14].[O+:1]#[C-:2],"InChI=1S/C5H8O/c6-4-5-2-1-3-5/h4-5H,1-3H2",InChI=1S/C4H8.CO/c1-2-4-3-1;1-2/h1-4H2;,79.4731,0.66151,"1,2_Insertion_CO"
4336,[O:1]=[C:2]([C:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])[H:7],[O-:1][C:2](=[C+:3][C:4]([C:5]([C:6]([H:8])([H:13])[H:14])([H:11])[H:12])([H:9])[H:10])[H:7],"InChI=1S/C5H8O/c6-4-5-2-1-3-5/h4-5H,1-3H2","InChI=1S/C5H8O/c1-2-3-4-5-6/h5H,2-3H2,1H3",63.13706,58.207359999999994,
4337,[O:1]=[C:2]([C:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])[H:7],[O:1]1[C:2]([H:7])=[C:3]([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14],"InChI=1S/C5H8O/c6-4-5-2-1-3-5/h4-5H,1-3H2","InChI=1S/C5H8O/c1-2-4-6-5-3-1/h2,4H,1,3,5H2",55.72464,-8.698030000000001,ketoenol
4338,[O:1]=[C:2]([C:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])[H:7],[O:1]=[C:2]([C@:3]([C:4]([H:9])([H:10])[H:12])([C:6]([C:5][H:11])([H:13])[H:14])[H:8])[H:7],"InChI=1S/C5H8O/c6-4-5-2-1-3-5/h4-5H,1-3H2","InChI=1S/C5H8O/c1-3-5(2)4-6/h1,4-5H,3H2,2H3/t5-/m1/s1",78.71663000000001,78.8492,
4339,[O:1]=[C:2]([C:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])[H:7],[O:1]([C:2][C:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])[H:7],"InChI=1S/C5H8O/c6-4-5-2-1-3-5/h4-5H,1-3H2","InChI=1S/C5H8O/c6-4-5-2-1-3-5/h5-6H,1-3H2",80.1842,55.52066,
4340,[O:1]=[C:2]([C:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])[H:7],[O+:1](=[C-:2][H:7])[C:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14],"InChI=1S/C5H8O/c6-4-5-2-1-3-5/h4-5H,1-3H2","InChI=1S/C5H8O/c1-6-5-3-2-4-5/h1,5H,2-4H2",105.46868,65.6193,
4341,[O:1]=[C:2]([C:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])[H:7],[O:1]([C+:2]([C@:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C-:6]1[H:13])[H:7])[H:14],"InChI=1S/C5H8O/c6-4-5-2-1-3-5/h4-5H,1-3H2","InChI=1S/C5H8O/c6-4-5-2-1-3-5/h2,4-6H,1,3H2/t5-/m0/s1",87.00336999999999,77.21540999999999,
4342,[O:1]=[C:2]([C:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])[H:7],[O:1]([C:2](=[C:3]1[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])[H:7])[H:8],"InChI=1S/C5H8O/c6-4-5-2-1-3-5/h4-5H,1-3H2","InChI=1S/C5H8O/c6-4-5-2-1-3-5/h4,6H,1-3H2",65.47718,5.820119999999999,ketoenol
4343,[O:1]=[C:2]([C:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])[H:7],[C:4](=[C:5]([H:11])[H:12])([H:9])[H:10].[O:1]=[C:2]([C:3](=[C:6]([H:13])[H:14])[H:8])[H:7],"InChI=1S/C5H8O/c6-4-5-2-1-3-5/h4-5H,1-3H2","InChI=1S/C3H4O.C2H4/c1-2-3-4;1-2/h2-3H,1H2;1-2H2",65.70108,17.40625,
4344,[O:1]=[C:2]([C:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])[H:7],[O:1]([C@@:2]1([H:7])[C@@:3]2([H:8])[C:4]([H:9])([H:10])[C@:5]1([H:12])[C:6]2([H:13])[H:14])[H:11],"InChI=1S/C5H8O/c6-4-5-2-1-3-5/h4-5H,1-3H2","InChI=1S/C5H8O/c6-5-3-1-4(5)2-3/h3-6H,1-2H2/t3-,4+,5-",88.41538,30.794179999999997,
4345,[O:1]=[C:2]([C:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])[H:7],[H:8][H:14].[O:1]=[C:2]([C:3]1=[C:6]([H:13])[C:5]([H:11])([H:12])[C:4]1([H:9])[H:10])[H:7],"InChI=1S/C5H8O/c6-4-5-2-1-3-5/h4-5H,1-3H2","InChI=1S/C5H6O.H2/c6-4-5-2-1-3-5;/h2,4H,1,3H2;1H",94.20853000000001,27.94752,
4346,[O:1]=[C:2]([C:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])[H:7],[O:1](/[C:2](=[C:3](\[C:6]1([H:14])[C:4]([H:9])([H:10])[C:5]1([H:11])[H:12])[H:8])[H:7])[H:13],"InChI=1S/C5H8O/c6-4-5-2-1-3-5/h4-5H,1-3H2","InChI=1S/C5H8O/c6-4-3-5-1-2-5/h3-6H,1-2H2/b4-3-",77.06134,4.93888,
4347,[O:1]=[C:2]([C:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])[H:7],[C:5](=[C:6]([H:13])[H:14])([H:11])[H:12].[O:1]1[C:2]([H:7])=[C:3]([H:8])[C:4]1([H:9])[H:10],"InChI=1S/C5H8O/c6-4-5-2-1-3-5/h4-5H,1-3H2","InChI=1S/C3H4O.C2H4/c1-2-4-3-1;1-2/h1-2H,3H2;1-2H2",88.57995,45.55706,
4348,[O:1]=[C:2]([C:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])[H:7],[C:4]1([H:9])([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14].[O:1]=[C:2]=[C:3]([H:7])[H:8],"InChI=1S/C5H8O/c6-4-5-2-1-3-5/h4-5H,1-3H2",InChI=1S/C3H6.C2H2O/c1-2-3-1;1-2-3/h1-3H2;1H2,80.84533,18.109370000000002,
4349,[C:1]([C:2]#[C:3][C@@:4]1([H:10])[C:5]([H:11])([H:12])[N:6]1[H:13])([H:7])([H:8])[H:9],[C:1]([C:2]#[C:3][C@@:4]1([H:10])[C-:5]([H:12])[N+:6]1([H:11])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-2-3-5-4-6-5/h5-6H,4H2,1H3/t5-/m0/s1","InChI=1S/C5H7N/c1-2-3-5-4-6-5/h4-5H,6H2,1H3/t5-/m0/s1",73.67568,55.602430000000005,
4350,[C:1]([C:2]#[C:3][C@@:4]1([H:10])[C:5]([H:11])([H:12])[N:6]1[H:13])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]=[C:4]1[C:5]([H:11])([H:12])[N:6]1[H:13])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-2-3-5-4-6-5/h5-6H,4H2,1H3/t5-/m0/s1","InChI=1S/C5H7N/c1-2-3-5-4-6-5/h2,6H,4H2,1H3",85.51616999999999,5.61095,
4351,[C:1]([C:2]#[C:3][C@@:4]1([H:10])[C:5]([H:11])([H:12])[N:6]1[H:13])([H:7])([H:8])[H:9],[C:1]([C:2]/[C:3](=[C:4]1\[C:5]([H:11])([H:12])[N:6]1[H:13])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-2-3-5-4-6-5/h5-6H,4H2,1H3/t5-/m0/s1","InChI=1S/C5H7N/c1-2-3-5-4-6-5/h3,6H,4H2,1H3/b5-3+",74.05592,55.449419999999996,
4352,[C:1]([C:2]#[C:3][C@@:4]1([H:10])[C:5]([H:11])([H:12])[N:6]1[H:13])([H:7])([H:8])[H:9],[C+:1]([C:2](=[C-:3][C@@:4]1([H:10])[C:5]([H:11])([H:12])[N:6]1[H:13])[H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-2-3-5-4-6-5/h5-6H,4H2,1H3/t5-/m0/s1","InChI=1S/C5H7N/c1-2-3-5-4-6-5/h2,5-6H,1,4H2/t5-/m0/s1",68.15705,49.73235,
4353,[C:1]([C:2]#[C:3][C@@:4]1([H:10])[C:5]([H:11])([H:12])[N:6]1[H:13])([H:7])([H:8])[H:9],[C:1]([C:2]1=[C:3]=[C:4]([H:10])[N:6]([H:13])[C:5]1([H:11])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-2-3-5-4-6-5/h5-6H,4H2,1H3/t5-/m0/s1","InChI=1S/C5H7N/c1-5-2-3-6-4-5/h3,6H,4H2,1H3",69.7544,5.4746,
4354,[C:1]([C:2]#[C:3][C@@:4]1([H:10])[C:5]([H:11])([H:12])[N:6]1[H:13])([H:7])([H:8])[H:9],[C:1]([C:2](=[C-:3][C@@:4]1([H:10])[C+:5]([H:11])[N:6]1[H:13])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-2-3-5-4-6-5/h5-6H,4H2,1H3/t5-/m0/s1","InChI=1S/C5H7N/c1-2-3-5-4-6-5/h2,4-6H,1H3/t5-/m0/s1",108.30016,54.06588000000001,
4355,[C:1]([C:2]#[C:3][C@@:4]1([H:10])[C:5]([H:11])([H:12])[N:6]1[H:13])([H:7])([H:8])[H:9],[C:1]([C+:2]=[C:3]=[C-:4][N:6]([C:5]([H:10])([H:11])[H:12])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-2-3-5-4-6-5/h5-6H,4H2,1H3/t5-/m0/s1","InChI=1S/C5H7N/c1-3-4-5-6-2/h6H,1-2H3",66.15044,17.98109,
4356,[C:1]([C:2]#[C:3][C@@:4]1([H:10])[C:5]([H:11])([H:12])[N:6]1[H:13])([H:7])([H:8])[H:9],[C:1](=[C:2]=[C:3]([C@@:4]1([H:10])[C:5]([H:11])([H:12])[N:6]1[H:13])[H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-2-3-5-4-6-5/h5-6H,4H2,1H3/t5-/m0/s1","InChI=1S/C5H7N/c1-2-3-5-4-6-5/h3,5-6H,1,4H2/t5-/m0/s1",68.1573,-0.6571899999999999,
4357,[C:1]([C:2]#[C:3][C@@:4]1([H:10])[C:5]([H:11])([H:12])[N:6]1[H:13])([H:7])([H:8])[H:9],[C:1]([C:2]#[C:3]/[C:4](=[N:6]/[C:5]([H:11])([H:12])[H:13])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-2-3-5-4-6-5/h5-6H,4H2,1H3/t5-/m0/s1","InChI=1S/C5H7N/c1-3-4-5-6-2/h5H,1-2H3/b6-5+",64.31695,-14.27447,
4358,[C:1]([C:2]#[C:3][C@@:4]1([H:10])[C:5]([H:11])([H:12])[N:6]1[H:13])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3])[C@@:4]1([H:10])[C:5]([H:11])([H:12])[N:6]1[H:13])([H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-2-3-5-4-6-5/h5-6H,4H2,1H3/t5-/m0/s1","InChI=1S/C5H7N/c1-4(2)5-3-6-5/h5-6H,3H2,1H3/t5-/m1/s1",54.77936999999999,52.97903,
4359,[C:1]([C:2]#[C:3][C@@:4]1([H:10])[C:5]([H:11])([H:12])[N:6]1[H:13])([H:7])([H:8])[H:9],[C:1]([C:2]1=[C:3]=[C:4]([H:10])[C:5]([H:11])([H:12])[N:6]1[H:13])([H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-2-3-5-4-6-5/h5-6H,4H2,1H3/t5-/m0/s1","InChI=1S/C5H7N/c1-5-3-2-4-6-5/h2,6H,4H2,1H3",67.93021999999999,3.36084,
4360,[C:1]([C:2]#[C:3][C@@:4]1([H:10])[C:5]([H:11])([H:12])[N:6]1[H:13])([H:7])([H:8])[H:9],[C:1]([C+:2]=[C:3]=[C-:4][C:5]([N:6]([H:10])[H:13])([H:11])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-2-3-5-4-6-5/h5-6H,4H2,1H3/t5-/m0/s1","InChI=1S/C5H7N/c1-2-3-4-5-6/h5-6H2,1H3",53.67748,45.480059999999995,
4361,[C:1]([C:2]#[C:3][C@@:4]1([H:10])[C:5]([H:11])([H:12])[N:6]1[H:13])([H:7])([H:8])[H:9],[C:1](=[C:2]=[C:3]1[C@@:4]2([H:10])[C@:5]1([H:12])[N:6]2[H:13])([H:8])[H:9].[H:7][H:11],"InChI=1S/C5H7N/c1-2-3-5-4-6-5/h5-6H,4H2,1H3/t5-/m0/s1","InChI=1S/C5H5N.H2/c1-2-3-4-5(3)6-4;/h4-6H,1H2;1H/t4-,5+;",88.52395,58.04725,
4362,[C:1]([C:2]#[C:3][C@@:4]1([H:10])[C:5]([H:11])([H:12])[N:6]1[H:13])([H:7])([H:8])[H:9],[C:1]([C+:2]=[C:3]=[C:4]([N:6]([C-:5]([H:11])[H:12])[H:13])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-2-3-5-4-6-5/h5-6H,4H2,1H3/t5-/m0/s1","InChI=1S/C5H7N/c1-3-4-5-6-2/h5-6H,2H2,1H3",32.13935,12.13012,
4363,[O:1]=[C:2]([C:3]([C:4]#[N:5])([H:7])[H:8])[H:6],[O:1]=[C:2]([N:5]=[C:4]=[C:3]([H:7])[H:8])[H:6],"InChI=1S/C3H3NO/c4-2-1-3-5/h3H,1H2","InChI=1S/C3H3NO/c1-2-4-3-5/h3H,1H2",51.95867,14.10516,
4364,[O:1]=[C:2]([C:3]([C:4]#[N:5])([H:7])[H:8])[H:6],[o:1]1[c:2]([H:6])[c:3]([H:7])[c:4]([H:8])[n:5]1,"InChI=1S/C3H3NO/c4-2-1-3-5/h3H,1H2",InChI=1S/C3H3NO/c1-2-4-5-3-1/h1-3H,68.61954,18.43913,
4365,[O:1]=[C:2]([C:3]([C:4]#[N:5])([H:7])[H:8])[H:6],[O:1](/[C:2](=[C:3](/[C:4]#[N:5])[H:7])[H:6])[H:8],"InChI=1S/C3H3NO/c4-2-1-3-5/h3H,1H2","InChI=1S/C3H3NO/c4-2-1-3-5/h1,3,5H/b3-1+",55.241330000000005,-2.22105,ketoenol
4366,[O:1]=[C:2]([C:3]([C:4]#[N:5])([H:7])[H:8])[H:6],[O:1]=[C:2]([C:3](=[C:4]=[N:5][H:8])[H:7])[H:6],"InChI=1S/C3H3NO/c4-2-1-3-5/h3H,1H2","InChI=1S/C3H3NO/c4-2-1-3-5/h1,3-4H",68.64695999999999,8.85745,
4367,[O:1]=[C:2]([C:3]([C:4]#[N:5])([H:7])[H:8])[H:6],[O:1]=[C:4]1[C:3]([H:7])([H:8])[C:2]([H:6])=[N:5]1,"InChI=1S/C3H3NO/c4-2-1-3-5/h3H,1H2","InChI=1S/C3H3NO/c5-3-1-2-4-3/h2H,1H2",135.1589,16.45053,
4368,[O:1]=[C:2]([C:3]([C:4]#[N:5])([H:7])[H:8])[H:6],[O:1]=[C:2]([C:3]([N+:5]#[C-:4])([H:7])[H:8])[H:6],"InChI=1S/C3H3NO/c4-2-1-3-5/h3H,1H2","InChI=1S/C3H3NO/c1-4-2-3-5/h3H,2H2",59.2491,26.422179999999997,
4369,[O:1]=[C:2]([C:3]([C:4]#[N:5])([H:7])[H:8])[H:6],[O:1]([C:2](=[C:3]([H:7])[H:8])[H:6])[C:4]#[N:5],"InChI=1S/C3H3NO/c4-2-1-3-5/h3H,1H2","InChI=1S/C3H3NO/c1-2-5-3-4/h2H,1H2",78.51768,22.501520000000003,ketoenol
4370,[O:1]=[C:2]([C:3]([C:4]#[N:5])([H:7])[H:8])[H:6],[O:1]([C:2][C:3]([C:4]#[N:5])([H:7])[H:8])[H:6],"InChI=1S/C3H3NO/c4-2-1-3-5/h3H,1H2","InChI=1S/C3H3NO/c4-2-1-3-5/h5H,1H2",81.57193000000001,54.81815,
4371,[O:1]=[C:2]([C:3]([C:4]#[N:5])([H:7])[H:8])[H:6],[C:3](=[C:4]=[N:5][H:6])([H:7])[H:8].[O+:1]#[C-:2],"InChI=1S/C3H3NO/c4-2-1-3-5/h3H,1H2","InChI=1S/C2H3N.CO/c1-2-3;1-2/h3H,1H2;",41.65894,13.91854,
4372,[O:1]=[C:2]([C:3]([C:4]#[N:5])([H:7])[H:8])[H:6],[O:1]=[C:2]([C:3]([H:6])([H:7])[H:8])[C:4]#[N:5],"InChI=1S/C3H3NO/c4-2-1-3-5/h3H,1H2",InChI=1S/C3H3NO/c1-3(5)2-4/h1H3,85.30939000000001,-2.716,
4373,[O:1]=[C:2]([C:3]([C:4]#[N:5])([H:7])[H:8])[H:6],[O:1]([C:2](=[C:3]([H:7])[H:8])[H:6])[N+:5]#[C-:4],"InChI=1S/C3H3NO/c4-2-1-3-5/h3H,1H2","InChI=1S/C3H3NO/c1-3-5-4-2/h3H,1H2",100.63661,82.68183,
4374,[O:1]=[C:2]([C:3]([C:4]#[N:5])([H:7])[H:8])[H:6],[O+:1](=[C-:2][H:6])[C:4]1=[N:5][C:3]1([H:7])[H:8],"InChI=1S/C3H3NO/c4-2-1-3-5/h3H,1H2","InChI=1S/C3H3NO/c1-5-3-2-4-3/h1H,2H2",112.78256,109.02056,
4375,[O:1]=[C:2]([C:3]([C:4]#[N:5])([H:7])[H:8])[H:6],[O:1]1[C@@:2]([C:4]#[N:5])([H:6])[C:3]1([H:7])[H:8],"InChI=1S/C3H3NO/c4-2-1-3-5/h3H,1H2","InChI=1S/C3H3NO/c4-1-3-2-5-3/h3H,2H2/t3-/m1/s1",86.62177,24.42398,
4376,[C:1](#[C:2][C:3]1([H:8])[C:4]([H:9])([H:10])[O:5][C:6]1([H:11])[H:12])[H:7],[C:1](=[C:2]1[C@:3]2([H:8])[C:4]([H:9])([H:10])[O:5][C@:6]12[H:12])([H:7])[H:11],"InChI=1S/C5H6O/c1-2-5-3-6-4-5/h1,5H,3-4H2","InChI=1S/C5H6O/c1-3-4-2-6-5(3)4/h4-5H,1-2H2/t4-,5+/m0/s1",81.30682,6.04132,
4377,[C:1](#[C:2][C:3]1([H:8])[C:4]([H:9])([H:10])[O:5][C:6]1([H:11])[H:12])[H:7],[C:1](#[C:2][C:3](=[C:6]([H:11])[H:12])[H:8])[H:7].[C:4](=[O:5])([H:9])[H:10],"InChI=1S/C5H6O/c1-2-5-3-6-4-5/h1,5H,3-4H2","InChI=1S/C4H4.CH2O/c1-3-4-2;1-2/h1,4H,2H2;1H2",44.713,1.64265,2+2_cycloaddition
4378,[C:1](#[C:2][C:3]1([H:8])[C:4]([H:9])([H:10])[O:5][C:6]1([H:11])[H:12])[H:7],[C:1]1([H:7])=[C:2]=[C:3]([H:8])[C:4]([H:9])([H:10])[O:5][C:6]1([H:11])[H:12],"InChI=1S/C5H6O/c1-2-5-3-6-4-5/h1,5H,3-4H2","InChI=1S/C5H6O/c1-2-4-6-5-3-1/h2-3H,4-5H2",76.86964,-0.17014,
4379,[C:1](#[C:2][C:3]1([H:8])[C:4]([H:9])([H:10])[O:5][C:6]1([H:11])[H:12])[H:7],[C-:1](=[C:2]([C@:3]1([H:8])[C:4]([H:10])=[O+:5][C:6]1([H:11])[H:12])[H:9])[H:7],"InChI=1S/C5H6O/c1-2-5-3-6-4-5/h1,5H,3-4H2","InChI=1S/C5H6O/c1-2-5-3-6-4-5/h1-3,5H,4H2/t5-/m1/s1",69.16766,71.09361,
4380,[C:1](#[C:2][C:3]1([H:8])[C:4]([H:9])([H:10])[O:5][C:6]1([H:11])[H:12])[H:7],[C:1](#[C:2][C:3]1=[C:4]([H:10])[O:5][C:6]1([H:11])[H:12])[H:7].[H:8][H:9],"InChI=1S/C5H6O/c1-2-5-3-6-4-5/h1,5H,3-4H2","InChI=1S/C5H4O.H2/c1-2-5-3-6-4-5;/h1,3H,4H2;1H",101.47389,24.18692,
4381,[C:1](#[C:2][C:3]1([H:8])[C:4]([H:9])([H:10])[O:5][C:6]1([H:11])[H:12])[H:7],[C:1]1([H:7])=[C:2]2[C@:3]([H:8])([C:4]([H:9])([H:10])[O:5]1)[C:6]2([H:11])[H:12],"InChI=1S/C5H6O/c1-2-5-3-6-4-5/h1,5H,3-4H2","InChI=1S/C5H6O/c1-4-2-6-3-5(1)4/h2,5H,1,3H2/t5-/m0/s1",79.76908,1.3802,
4382,[C:1](#[C:2][C:3]1([H:8])[C:4]([H:9])([H:10])[O:5][C:6]1([H:11])[H:12])[H:7],[C:1](=[C:2])([C:3]1([H:8])[C:4]([H:9])([H:10])[O:5][C:6]1([H:11])[H:12])[H:7],"InChI=1S/C5H6O/c1-2-5-3-6-4-5/h1,5H,3-4H2","InChI=1S/C5H6O/c1-2-5-3-6-4-5/h2,5H,3-4H2",59.25727,52.57031,Singlet_Carbene_Intra_Disproportionation
4383,[C:1](#[C:2][C:3]1([H:8])[C:4]([H:9])([H:10])[O:5][C:6]1([H:11])[H:12])[H:7],[C:1](=[C:2]=[C:3]1[C:4]([H:9])([H:10])[O:5][C:6]1([H:11])[H:12])([H:7])[H:8],"InChI=1S/C5H6O/c1-2-5-3-6-4-5/h1,5H,3-4H2","InChI=1S/C5H6O/c1-2-5-3-6-4-5/h1,3-4H2",80.70221,-5.9723,
4384,[C:1](#[C:2][C:3]1([H:8])[C:4]([H:9])([H:10])[O:5][C:6]1([H:11])[H:12])[H:7],[C:1](#[C:2][C:3]1([H:8])[C-:4]([H:9])[O+:5]=[C:6]1[H:12])[H:7].[H:10][H:11],"InChI=1S/C5H6O/c1-2-5-3-6-4-5/h1,5H,3-4H2","InChI=1S/C5H4O.H2/c1-2-5-3-6-4-5;/h1,3-5H;1H",79.01948,79.80157,
4385,[C:1](#[C:2][C:3]1([H:8])[C:4]([H:9])([H:10])[O:5][C:6]1([H:11])[H:12])[H:7],[C:1](#[C:2][C@:3]([C:4][H:9])([C:6]([O:5][H:10])([H:11])[H:12])[H:8])[H:7],"InChI=1S/C5H6O/c1-2-5-3-6-4-5/h1,5H,3-4H2","InChI=1S/C5H6O/c1-3-5(2)4-6/h1-2,5-6H,4H2/t5-/m0/s1",73.52060999999999,73.25717,
4386,[C:1](#[C:2][C:3]1([H:8])[C:4]([H:9])([H:10])[O:5][C:6]1([H:11])[H:12])[H:7],[C-:1](=[C:2]([C+:3]1[C:4]([H:9])([H:10])[O:5][C:6]1([H:11])[H:12])[H:8])[H:7],"InChI=1S/C5H6O/c1-2-5-3-6-4-5/h1,5H,3-4H2","InChI=1S/C5H6O/c1-2-5-3-6-4-5/h1-2H,3-4H2",65.87453000000001,56.30911999999999,
4387,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@:3]1([H:10])[N:4]1[C:5]([H:11])([H:12])[C@@:6]21[H:13],[C:1](=[C:3]([N:4]1[C:5]([H:11])([H:12])[C@:6]1([C:2][H:9])[H:13])[H:10])([H:7])[H:8],"InChI=1S/C5H7N/c1-3-4(1)6-2-5(3)6/h3-5H,1-2H2/t3-,4+,5-,6?/m0/s1","InChI=1S/C5H7N/c1-3-6-4-5(6)2/h2-3,5H,1,4H2/t5-,6?/m1/s1",52.91718,39.94689,
4388,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@:3]1([H:10])[N:4]1[C:5]([H:11])([H:12])[C@@:6]21[H:13],[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@:3]1([H:10])[N+:4]1([H:12])[C-:5]([H:11])[C@@:6]21[H:13],"InChI=1S/C5H7N/c1-3-4(1)6-2-5(3)6/h3-5H,1-2H2/t3-,4+,5-,6?/m0/s1","InChI=1S/C5H7N/c1-3-4(1)6-2-5(3)6/h2-6H,1H2/t3-,4+,5-/m0/s1",57.26709,43.06069,
4389,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@:3]1([H:10])[N:4]1[C:5]([H:11])([H:12])[C@@:6]21[H:13],[C:1]1([H:7])([H:8])[C:2][C@@:6]2([H:13])[N:4]([C:3]1([H:9])[H:10])[C:5]2([H:11])[H:12],"InChI=1S/C5H7N/c1-3-4(1)6-2-5(3)6/h3-5H,1-2H2/t3-,4+,5-,6?/m0/s1","InChI=1S/C5H7N/c1-2-5-4-6(5)3-1/h5H,1,3-4H2/t5-,6?/m1/s1",55.65569,19.2383,
4390,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@:3]1([H:10])[N:4]1[C:5]([H:11])([H:12])[C@@:6]21[H:13],[C:1]([C@:3]1([H:10])[C:2]([H:8])([H:9])[C@@:6]2([H:13])[N:4]1[C:5]2([H:11])[H:12])[H:7],"InChI=1S/C5H7N/c1-3-4(1)6-2-5(3)6/h3-5H,1-2H2/t3-,4+,5-,6?/m0/s1","InChI=1S/C5H7N/c1-4-2-5-3-6(4)5/h1,4-5H,2-3H2/t4-,5-,6?/m1/s1",59.02884,53.517959999999995,
4391,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@:3]1([H:10])[N:4]1[C:5]([H:11])([H:12])[C@@:6]21[H:13],[C:1]1([H:8])=[C:3]([H:10])[N:4]2[C:5]([H:11])([H:12])[C@@:6]2([H:13])[C:2]1([H:7])[H:9],"InChI=1S/C5H7N/c1-3-4(1)6-2-5(3)6/h3-5H,1-2H2/t3-,4+,5-,6?/m0/s1","InChI=1S/C5H7N/c1-2-5-4-6(5)3-1/h1,3,5H,2,4H2/t5-,6?/m1/s1",56.890390000000004,-45.634029999999996,
4392,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@:3]1([H:10])[N:4]1[C:5]([H:11])([H:12])[C@@:6]21[H:13],[C:1]1([H:7])([H:8])[C:2]([H:9])=[C:6]([H:13])[C:5]([H:11])([H:12])[N:4]=[C:3]1[H:10],"InChI=1S/C5H7N/c1-3-4(1)6-2-5(3)6/h3-5H,1-2H2/t3-,4+,5-,6?/m0/s1","InChI=1S/C5H7N/c1-2-4-6-5-3-1/h1-2,5H,3-4H2",29.04382,-68.20291,
4393,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@:3]1([H:10])[N:4]1[C:5]([H:11])([H:12])[C@@:6]21[H:13],[C:1]([C@:3]1([H:10])[C:2][C@@:6]2([H:13])[N:4]1[C:5]2([H:11])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-3-4(1)6-2-5(3)6/h3-5H,1-2H2/t3-,4+,5-,6?/m0/s1","InChI=1S/C5H7N/c1-4-2-5-3-6(4)5/h4-5H,3H2,1H3/t4-,5-,6?/m1/s1",60.02581,42.47696,
4394,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@:3]1([H:10])[N:4]1[C:5]([H:11])([H:12])[C@@:6]21[H:13],[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@:3]1([H:10])[N:4]([H:12])[C@:6]2([C:5][H:11])[H:13],"InChI=1S/C5H7N/c1-3-4(1)6-2-5(3)6/h3-5H,1-2H2/t3-,4+,5-,6?/m0/s1","InChI=1S/C5H7N/c1-3-4-2-5(4)6-3/h1,3-6H,2H2/t3-,4+,5+/m0/s1",57.252590000000005,56.40915,
4395,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@:3]1([H:10])[N:4]1[C:5]([H:11])([H:12])[C@@:6]21[H:13],[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@:3]1([H:10])[N+:4]([C-:5]([H:11])[H:12])=[C:6]2[H:13],"InChI=1S/C5H7N/c1-3-4(1)6-2-5(3)6/h3-5H,1-2H2/t3-,4+,5-,6?/m0/s1","InChI=1S/C5H7N/c1-6-3-4-2-5(4)6/h3-5H,1-2H2/t4-,5-/m1/s1",38.25053,6.53711,
4396,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@:3]1([H:10])[N:4]1[C:5]([H:11])([H:12])[C@@:6]21[H:13],[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@:3]1([H:10])[C@:6]2([N:4]=[C:5]([H:11])[H:12])[H:13],"InChI=1S/C5H7N/c1-3-4(1)6-2-5(3)6/h3-5H,1-2H2/t3-,4+,5-,6?/m0/s1","InChI=1S/C5H7N/c1-6-5-3-2-4(3)5/h3-5H,1-2H2/t3-,4+,5-",55.811859999999996,-23.03552,
4397,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@:3]1([H:10])[N:4]1[C:5]([H:11])([H:12])[C@@:6]21[H:13],[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])=[N:4][C@@:6]2([H:13])[C:5]1([H:11])[H:12],"InChI=1S/C5H7N/c1-3-4(1)6-2-5(3)6/h3-5H,1-2H2/t3-,4+,5-,6?/m0/s1","InChI=1S/C5H7N/c1-2-5-4(1)3-6-5/h3-5H,1-2H2/t4-,5-/m0/s1",45.07427,-33.453340000000004,
4398,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@:3]1([H:10])[N:4]1[C:5]([H:11])([H:12])[C@@:6]21[H:13],[C:1]1([H:7])([H:8])[C+:2]([H:9])[C:5]([H:11])([H:12])[C@:6]2([H:13])[C@@:3]1([H:10])[N-:4]2,"InChI=1S/C5H7N/c1-3-4(1)6-2-5(3)6/h3-5H,1-2H2/t3-,4+,5-,6?/m0/s1","InChI=1S/C5H7N/c1-2-4-5(3-1)6-4/h1,4-5H,2-3H2/t4-,5+",60.836059999999996,3.2578400000000003,
4399,[C:1]([N:2]([C:3](=[O:4])[N:5]([H:10])[H:11])[H:9])([H:6])([H:7])[H:8],[C:1]([N:2]([H:9])[H:10])([H:6])([H:7])[H:8].[C:3](=[O:4])=[N:5][H:11],"InChI=1S/C2H6N2O/c1-4-2(3)5/h1H3,(H3,3,4,5)","InChI=1S/CHNO.CH5N/c2-1-3;1-2/h2H;2H2,1H3",39.93445,18.65217,
4400,[C:1]([N:2]([C:3](=[O:4])[N:5]([H:10])[H:11])[H:9])([H:6])([H:7])[H:8],[C:1](/[N:2]=[C:3](/[O:4][H:9])[N:5]([H:10])[H:11])([H:6])([H:7])[H:8],"InChI=1S/C2H6N2O/c1-4-2(3)5/h1H3,(H3,3,4,5)","InChI=1S/C2H6N2O/c1-4-2(3)5/h1H3,(H3,3,4,5)",39.83393,11.89483,ketoenol
4401,[C:1]([N:2]([C:3](=[O:4])[N:5]([H:10])[H:11])[H:9])([H:6])([H:7])[H:8],[C:1]([N:2](/[C:3]([O:4][H:11])=[N:5]\[H:10])[H:9])([H:6])([H:7])[H:8],"InChI=1S/C2H6N2O/c1-4-2(3)5/h1H3,(H3,3,4,5)","InChI=1S/C2H6N2O/c1-4-2(3)5/h1H3,(H3,3,4,5)",41.32886,13.24668,ketoenol
4402,[C:1]([N:2]([C:3](=[O:4])[N:5]([H:10])[H:11])[H:9])([H:6])([H:7])[H:8],[C:1](=[N:2][H:9])([H:7])[H:8].[C:3](=[O:4])=[N:5][H:11].[H:6][H:10],"InChI=1S/C2H6N2O/c1-4-2(3)5/h1H3,(H3,3,4,5)","InChI=1S/CHNO.CH3N.H2/c2-1-3;1-2;/h2H;2H,1H2;1H",63.76315,43.981559999999995,
4403,[C:1]([N:2]([C:3](=[O:4])[N:5]([H:10])[H:11])[H:9])([H:6])([H:7])[H:8],[C:1]([N:2]([H:8])[H:9])([C:3](=[O:4])[N:5]([H:10])[H:11])([H:6])[H:7],"InChI=1S/C2H6N2O/c1-4-2(3)5/h1H3,(H3,3,4,5)","InChI=1S/C2H6N2O/c3-1-2(4)5/h1,3H2,(H2,4,5)",120.6357,4.41392,
4404,[C:1]([N:2]([C:3](=[O:4])[N:5]([H:10])[H:11])[H:9])([H:6])([H:7])[H:8],[C:1]1([H:7])([H:8])[N:2]=[C:3]([N:5]([H:10])[H:11])[O:4]1.[H:6][H:9],"InChI=1S/C2H6N2O/c1-4-2(3)5/h1H3,(H3,3,4,5)","InChI=1S/C2H4N2O.H2/c3-2-4-1-5-2;/h1H2,(H2,3,4);1H",99.09186,57.42779,
4405,[C:1]([N:2]([C:3](=[O:4])[N:5]([H:10])[H:11])[H:9])([H:6])([H:7])[H:8],[C:1]([O:4][C:3](=[N:2][H:9])[N:5]([H:10])[H:11])([H:6])([H:7])[H:8],"InChI=1S/C2H6N2O/c1-4-2(3)5/h1H3,(H3,3,4,5)","InChI=1S/C2H6N2O/c1-5-2(3)4/h1H3,(H3,3,4)",68.00086,18.35247,ketoenol
4406,[C:1]([C:2](=[O:3])[H:7])([H:4])([H:5])[H:6],[C:1](=[C:2]([O:3][H:5])[H:7])([H:4])[H:6],"InChI=1S/C2H4O/c1-2-3/h2H,1H3","InChI=1S/C2H4O/c1-2-3/h2-3H,1H2",63.83436999999999,6.82925,ketoenol
4407,[C:1]([C:2](=[O:3])[H:7])([H:4])([H:5])[H:6],[C:1](=[C:2]=[O:3])([H:4])[H:6].[H:5][H:7],"InChI=1S/C2H4O/c1-2-3/h2H,1H3",InChI=1S/C2H2O.H2/c1-2-3;/h1H2;1H,75.61148,25.626620000000003,
4408,[O:1]([C:2]([C@@:3]1([H:10])[C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])([H:8])[H:9])[H:7],[C:4]([H:11])[H:12].[O:1]([C:2](/[C:3](=[C:5](\[O:6][H:14])[H:13])[H:10])([H:8])[H:9])[H:7],"InChI=1S/C4H8O2/c5-2-3-1-4(3)6/h3-6H,1-2H2/t3-,4-/m1/s1","InChI=1S/C3H6O2.CH2/c4-2-1-3-5;/h1-2,4-5H,3H2;1H2/b2-1-;",93.55398000000001,109.12118999999998,1+2_Cycloaddition
4409,[O:1]([C:2]([C@@:3]1([H:10])[C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])([H:8])[H:9])[H:7],[H:8][H:14].[O:1](/[C:2](=[C:3](/[C:4]([C:5](=[O:6])[H:13])([H:11])[H:12])[H:10])[H:9])[H:7],"InChI=1S/C4H8O2/c5-2-3-1-4(3)6/h3-6H,1-2H2/t3-,4-/m1/s1","InChI=1S/C4H6O2.H2/c5-3-1-2-4-6;/h1,3-5H,2H2;1H/b3-1+;",38.78591,8.142339999999999,
4410,[O:1]([C:2]([C@@:3]1([H:10])[C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])([H:8])[H:9])[H:7],[C:3]1([H:10])=[C:5]([H:13])[C:4]1([H:11])[H:12].[O:1]=[C:2]([H:8])[H:9].[O:6]([H:7])[H:14],"InChI=1S/C4H8O2/c5-2-3-1-4(3)6/h3-6H,1-2H2/t3-,4-/m1/s1","InChI=1S/C3H4.CH2O.H2O/c1-2-3-1;1-2;/h1-2H,3H2;1H2;1H2",56.99734,55.34984,
4411,[O:1]([C:2]([C@@:3]1([H:10])[C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])([H:8])[H:9])[H:7],[O:1]([C:2]([C@@:3]([C:4]([H:11])([H:12])[H:13])([C:5][O:6][H:14])[H:10])([H:8])[H:9])[H:7],"InChI=1S/C4H8O2/c5-2-3-1-4(3)6/h3-6H,1-2H2/t3-,4-/m1/s1","InChI=1S/C4H8O2/c1-4(2-5)3-6/h4-6H,2H2,1H3/t4-/m1/s1",55.71629,42.249520000000004,
4412,[O:1]([C:2]([C@@:3]1([H:10])[C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])([H:8])[H:9])[H:7],[O:1]([C:2]([C@@:3]1([H:10])[C:4]([H:11])([H:12])[C:5]1)([H:8])[H:9])[H:7].[O:6]([H:13])[H:14],"InChI=1S/C4H8O2/c5-2-3-1-4(3)6/h3-6H,1-2H2/t3-,4-/m1/s1","InChI=1S/C4H6O.H2O/c5-3-4-1-2-4;/h4-5H,1,3H2;1H2/t4-;/m0./s1",70.28605,87.25556,
4413,[O:1]([C:2]([C@@:3]1([H:10])[C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])([H:8])[H:9])[H:7],[O:1]([C@@:3]1([H:10])[C:2]([H:8])([H:9])[C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])[H:7],"InChI=1S/C4H8O2/c5-2-3-1-4(3)6/h3-6H,1-2H2/t3-,4-/m1/s1","InChI=1S/C4H8O2/c5-3-1-2-4(3)6/h3-6H,1-2H2/t3-,4+",73.52459,-5.234319999999999,
4414,[O:1]([C:2]([C@@:3]1([H:10])[C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])([H:8])[H:9])[H:7],[C:3]1([H:7])([H:10])[C:4]([H:11])([H:12])[C:5]1([O:6][H:14])[H:13].[O:1]=[C:2]([H:8])[H:9],"InChI=1S/C4H8O2/c5-2-3-1-4(3)6/h3-6H,1-2H2/t3-,4-/m1/s1","InChI=1S/C3H6O.CH2O/c4-3-1-2-3;1-2/h3-4H,1-2H2;1H2",78.52614,19.25755,
4415,[O:1]([C:2]([C@@:3]1([H:10])[C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])([H:8])[H:9])[H:7],[O:1]([C:2]([C:3]([C@@:5]([C:4][H:12])([O:6][H:14])[H:13])([H:10])[H:11])([H:8])[H:9])[H:7],"InChI=1S/C4H8O2/c5-2-3-1-4(3)6/h3-6H,1-2H2/t3-,4-/m1/s1","InChI=1S/C4H8O2/c1-4(6)2-3-5/h1,4-6H,2-3H2/t4-/m1/s1",60.143919999999994,66.35068000000001,
4416,[O:1]([C:2]([C@@:3]1([H:10])[C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])([H:8])[H:9])[H:7],[H:13][H:14].[O:1]([C:2]([C@@:3]1([H:10])[C:4]([H:11])([H:12])[C:5]1=[O:6])([H:8])[H:9])[H:7],"InChI=1S/C4H8O2/c5-2-3-1-4(3)6/h3-6H,1-2H2/t3-,4-/m1/s1","InChI=1S/C4H6O2.H2/c5-2-3-1-4(3)6;/h3,5H,1-2H2;1H/t3-;/m1./s1",84.03379,28.60241,
4417,[O:1]([C:2]([C@@:3]1([H:10])[C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])([H:8])[H:9])[H:7],[O:1]1[C:2]([H:8])([H:9])[C@:3]1([C:5](=[C:4]([H:11])[H:12])[H:13])[H:10].[O:6]([H:7])[H:14],"InChI=1S/C4H8O2/c5-2-3-1-4(3)6/h3-6H,1-2H2/t3-,4-/m1/s1","InChI=1S/C4H6O.H2O/c1-2-4-3-5-4;/h2,4H,1,3H2;1H2/t4-;/m1./s1",53.22729,19.87815,
4418,[O:1]([C:2]([C@@:3]1([H:10])[C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])([H:8])[H:9])[H:7],[C:3]1([H:10])=[C:4]([H:11])[C:5]1([O:6][H:14])[H:13].[O:1]([C:2]([H:8])([H:9])[H:12])[H:7],"InChI=1S/C4H8O2/c5-2-3-1-4(3)6/h3-6H,1-2H2/t3-,4-/m1/s1","InChI=1S/C3H4O.CH4O/c4-3-1-2-3;1-2/h1-4H;2H,1H3",88.29479,46.462720000000004,
4419,[O:1]([C:2]([C@@:3]1([H:10])[C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])([H:8])[H:9])[H:7],[C:5](=[O:6])([H:13])[H:14].[O:1]([C:2]([C:3](=[C:4]([H:11])[H:12])[H:10])([H:8])[H:9])[H:7],"InChI=1S/C4H8O2/c5-2-3-1-4(3)6/h3-6H,1-2H2/t3-,4-/m1/s1","InChI=1S/C3H6O.CH2O/c1-2-3-4;1-2/h2,4H,1,3H2;1H2",72.23106999999999,13.36084,
4420,[O:1]([C:2]([C@@:3]1([H:10])[C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])([H:8])[H:9])[H:7],[H:7][H:8].[O:1]=[C:2]([C@@:3]1([H:10])[C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])[H:9],"InChI=1S/C4H8O2/c5-2-3-1-4(3)6/h3-6H,1-2H2/t3-,4-/m1/s1","InChI=1S/C4H6O2.H2/c5-2-3-1-4(3)6;/h2-4,6H,1H2;1H/t3-,4-;/m1./s1",85.11538,17.53676,
4421,[O:1]([C:2]([C@@:3]1([H:10])[C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])([H:8])[H:9])[H:7],[O:1]([C+:2]([C@@:3]1([H:10])[C:4]([H:11])([H:12])[C-:5]1[H:13])[H:9])[H:7].[O:6]([H:8])[H:14],"InChI=1S/C4H8O2/c5-2-3-1-4(3)6/h3-6H,1-2H2/t3-,4-/m1/s1","InChI=1S/C4H6O.H2O/c5-3-4-1-2-4;/h1,3-5H,2H2;1H2/t4-;/m1./s1",89.24604000000001,3.8834400000000002,
4422,[O:1]([C:2]([C@@:3]1([H:10])[C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])([H:8])[H:9])[H:7],[O:1]1[C:2]([H:8])([H:9])[C@@:3]2([H:10])[C:4]([H:11])([H:12])[C@@:5]12[H:13].[O:6]([H:7])[H:14],"InChI=1S/C4H8O2/c5-2-3-1-4(3)6/h3-6H,1-2H2/t3-,4-/m1/s1","InChI=1S/C4H6O.H2O/c1-3-2-5-4(1)3;/h3-4H,1-2H2;1H2/t3-,4-;/m1./s1",75.25785,30.71605,
4423,[O:1]([C:2]([C@@:3]1([H:10])[C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])([H:8])[H:9])[H:7],[O:1]([C:2]([C:3]1([H:10])[C:4]([H:12])=[C:5]1[H:13])([H:8])[H:9])[H:7].[O:6]([H:11])[H:14],"InChI=1S/C4H8O2/c5-2-3-1-4(3)6/h3-6H,1-2H2/t3-,4-/m1/s1","InChI=1S/C4H6O.H2O/c5-3-4-1-2-4;/h1-2,4-5H,3H2;1H2",73.56947,37.5507,
4424,[O:1]([C:2]([C@@:3]1([H:10])[C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])([H:8])[H:9])[H:7],[O:1]([C:2]([C:3]([C:4]([C:5][O:6][H:14])([H:11])[H:12])([H:10])[H:13])([H:8])[H:9])[H:7],"InChI=1S/C4H8O2/c5-2-3-1-4(3)6/h3-6H,1-2H2/t3-,4-/m1/s1","InChI=1S/C4H8O2/c5-3-1-2-4-6/h5-6H,1-3H2",51.54692,39.75663,
4425,[O:1]([C:2]([C@@:3]1([H:10])[C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])([H:8])[H:9])[H:7],[C:2](=[C:3]1[C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])([H:8])[H:9].[O:1]([H:7])[H:10],"InChI=1S/C4H8O2/c5-2-3-1-4(3)6/h3-6H,1-2H2/t3-,4-/m1/s1","InChI=1S/C4H6O.H2O/c1-3-2-4(3)5;/h4-5H,1-2H2;1H2/t4-;/m1./s1",67.49815,21.79721,"1,3_Insertion_ROR"
4426,[O:1]([C:2]([C@@:3]1([H:10])[C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])([H:8])[H:9])[H:7],[H:8][H:11].[O:1]([C+:2]([C@@:3]1([H:10])[C-:4]([H:12])[C@:5]1([O:6][H:14])[H:13])[H:9])[H:7],"InChI=1S/C4H8O2/c5-2-3-1-4(3)6/h3-6H,1-2H2/t3-,4-/m1/s1","InChI=1S/C4H6O2.H2/c5-2-3-1-4(3)6;/h1-6H;1H/t3-,4-;/m1./s1",76.11777,75.07529,
4427,[O:1]([C:2]([C@@:3]1([H:10])[C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])([H:8])[H:9])[H:7],[O:1]([C:2]([C:3](/[C:4](=[C:5](/[O:6][H:14])[H:13])[H:11])([H:10])[H:12])([H:8])[H:9])[H:7],"InChI=1S/C4H8O2/c5-2-3-1-4(3)6/h3-6H,1-2H2/t3-,4-/m1/s1","InChI=1S/C4H8O2/c5-3-1-2-4-6/h1,3,5-6H,2,4H2/b3-1+",65.29823,-12.326880000000001,
4428,[O:1]([C:2]([C@@:3]1([H:10])[C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])([H:8])[H:9])[H:7],[O:1]([C:2]([C:3][C@@:5]([C:4]([H:10])([H:11])[H:12])([O:6][H:14])[H:13])([H:8])[H:9])[H:7],"InChI=1S/C4H8O2/c5-2-3-1-4(3)6/h3-6H,1-2H2/t3-,4-/m1/s1","InChI=1S/C4H8O2/c1-4(6)2-3-5/h4-6H,3H2,1H3/t4-/m1/s1",68.65527,66.58336,
4429,[O:1]([C:2]([C@@:3]1([H:10])[C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])([H:8])[H:9])[H:7],[O:1]([C:2]([C:3]([C:4][H:11])([C:5]([O:6][H:14])([H:12])[H:13])[H:10])([H:8])[H:9])[H:7],"InChI=1S/C4H8O2/c5-2-3-1-4(3)6/h3-6H,1-2H2/t3-,4-/m1/s1","InChI=1S/C4H8O2/c1-4(2-5)3-6/h1,4-6H,2-3H2",72.02790999999999,78.75503,
4430,[O:1]([C:2]([C@@:3]1([H:10])[C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])([H:8])[H:9])[H:7],[C:2](=[C:3]([C:4]([C:5](=[O:6])[H:13])([H:11])[H:12])[H:10])([H:8])[H:9].[O:1]([H:7])[H:14],"InChI=1S/C4H8O2/c5-2-3-1-4(3)6/h3-6H,1-2H2/t3-,4-/m1/s1","InChI=1S/C4H6O.H2O/c1-2-3-4-5;/h2,4H,1,3H2;1H2",25.664189999999998,-3.6252400000000002,
4431,[O:1]([C:2]([C@@:3]1([H:10])[C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])([H:8])[H:9])[H:7],[C:3](\[C:4]([H:7])([H:11])[H:12])(=[C:5](/[O:6][H:14])[H:13])[H:10].[O:1]=[C:2]([H:8])[H:9],"InChI=1S/C4H8O2/c5-2-3-1-4(3)6/h3-6H,1-2H2/t3-,4-/m1/s1","InChI=1S/C3H6O.CH2O/c1-2-3-4;1-2/h2-4H,1H3;1H2/b3-2+;",61.41822,7.2136,
4432,[C:1]([c:2]1[c:3]([H:10])[o:4][n:5][n:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]1([C:3](=[O:4])[H:10])[N:5]=[N:6]1)([H:7])([H:8])[H:9],"InChI=1S/C3H4N2O/c1-3-2-6-5-4-3/h2H,1H3","InChI=1S/C3H4N2O/c1-3(2-6)4-5-3/h2H,1H3",35.33752,13.61767,ketoenol
4433,[C:1]([c:2]1[c:3]([H:10])[o:4][n:5][n:6]1)([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]=[O:4])[H:10])([H:7])([H:8])[H:9].[N:5]#[N:6],"InChI=1S/C3H4N2O/c1-3-2-6-5-4-3/h2H,1H3","InChI=1S/C3H4O.N2/c1-2-3-4;1-2/h2H,1H3;",26.465259999999997,-40.68204,
4434,[C:1]([c:2]1[c:3]([H:10])[o:4][n:5][n:6]1)([H:7])([H:8])[H:9],[C:1]([C:2](=[C+:3][O:4][H:10])[N:6]=[N-:5])([H:7])([H:8])[H:9],"InChI=1S/C3H4N2O/c1-3-2-6-5-4-3/h2H,1H3","InChI=1S/C3H4N2O/c1-3(2-6)5-4/h6H,1H3",60.63629,29.46627,
4435,[C:1]([c:2]1[c:3]([H:10])[o:4][n:5][n:6]1)([H:7])([H:8])[H:9],[C:1]([C+:2]=[C:3]([O-:4])[H:10])([H:7])([H:8])[H:9].[N:5]#[N:6],"InChI=1S/C3H4N2O/c1-3-2-6-5-4-3/h2H,1H3","InChI=1S/C3H4O.N2/c1-2-3-4;1-2/h3H,1H3;",32.25912,26.08802,
4436,[C:1]([c:2]1[c:3]([H:10])[o:4][n:5][n:6]1)([H:7])([H:8])[H:9],[C:1]([C:3](=[C:2]=[N:6])[H:10])([H:7])([H:8])[H:9].[O:4]=[N:5],"InChI=1S/C3H4N2O/c1-3-2-6-5-4-3/h2H,1H3","InChI=1S/C3H4N.NO/c1-2-3-4;1-2/h2H,1H3;",102.85183,46.27025,
4437,[C:1]([c:2]1[c:3]([H:10])[o:4][n:5][n:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]#[C:3][H:10])([H:7])([H:8])[H:9].[O:4]=[N+:5]=[N-:6],"InChI=1S/C3H4N2O/c1-3-2-6-5-4-3/h2H,1H3","InChI=1S/C3H4.N2O/c1-3-2;1-2-3/h1H,2H3;",58.94698,37.43701,
4438,[C:1]([c:2]1[c:3]([H:10])[o:4][n:5][n:6]1)([H:7])([H:8])[H:9],[C:1](=[C:2]1[C:3]([H:10])=[O+:4][N-:5][N:6]1[H:8])([H:7])[H:9],"InChI=1S/C3H4N2O/c1-3-2-6-5-4-3/h2H,1H3","InChI=1S/C3H4N2O/c1-3-2-6-5-4-3/h2,4H,1H2",86.24014,48.97803,
4439,[C:1]([c:2]1[c:3]([H:10])[o:4][n:5][n:6]1)([H:7])([H:8])[H:9],[C:1]([N+:6]1=[C:2]=[C:3]([H:10])[O:4][N-:5]1)([H:7])([H:8])[H:9],"InChI=1S/C3H4N2O/c1-3-2-6-5-4-3/h2H,1H3","InChI=1S/C3H4N2O/c1-5-2-3-6-4-5/h3H,1H3",108.57988999999999,50.5531,
4440,[C:1]([c:2]1[c:3]([H:10])[o:4][n:5][n:6]1)([H:7])([H:8])[H:9],[C:1]([C:3](=[C:2]=[N:6][N:5]=[O:4])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C3H4N2O/c1-3-2-6-5-4-3/h2H,1H3","InChI=1S/C3H4N2O/c1-2-3-4-5-6/h2H,1H3",102.84691,44.146809999999995,
4441,[C:1]([O:2][C:3](=[O:4])[C:5]([N:6]([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C-:3]#[O+:4].[C:1]([O:2][H:13])([H:7])([H:8])[H:9].[C:5](=[N:6][H:12])([H:10])[H:11],"InChI=1S/C3H7NO2/c1-6-3(5)2-4/h2,4H2,1H3","InChI=1S/CH3N.CH4O.CO/c3*1-2/h2H,1H2;2H,1H3;",58.503080000000004,36.30608,
4442,[C:1]([O:2][C:3](=[O:4])[C:5]([N:6]([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:2]/[C:3]([O:4][H:10])=[C:5](\[N:6]([H:12])[H:13])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C3H7NO2/c1-6-3(5)2-4/h2,4H2,1H3","InChI=1S/C3H7NO2/c1-6-3(5)2-4/h2,5H,4H2,1H3/b3-2-",68.51288000000001,25.32477,ketoenol
4443,[C:1]([O:2][C:3](=[O:4])[C:5]([N:6]([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:2][C@@:3]1([O:4][H:13])[C:5]([H:10])([H:11])[N:6]1[H:12])([H:7])([H:8])[H:9],"InChI=1S/C3H7NO2/c1-6-3(5)2-4/h2,4H2,1H3","InChI=1S/C3H7NO2/c1-6-3(5)2-4-3/h4-5H,2H2,1H3/t3-/m0/s1",63.96481,37.4447,
4444,[C:1]([O:2][C:3](=[O:4])[C:5]([N:6]([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O+:2]=[C-:3][O:4][H:12])([H:7])([H:8])[H:9].[C:5](=[N:6][H:13])([H:10])[H:11],"InChI=1S/C3H7NO2/c1-6-3(5)2-4/h2,4H2,1H3","InChI=1S/C2H4O2.CH3N/c1-4-2-3;1-2/h3H,1H3;2H,1H2",58.35612,67.89220999999999,
4445,[C:1]([O:2][C:3](=[O:4])[C:5]([N:6]([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:2][C:3]([O-:4])=[C:5]([N+:6]([H:10])([H:12])[H:13])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C3H7NO2/c1-6-3(5)2-4/h2,4H2,1H3","InChI=1S/C3H7NO2/c1-6-3(5)2-4/h2,5H,4H2,1H3",62.44712,32.06642,
4446,[C:1]([O:2][C:3](=[O:4])[C:5]([N:6]([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:10].[O-:2][C:3](=[O:4])[C+:5]([N:6]([H:12])[H:13])[H:11],"InChI=1S/C3H7NO2/c1-6-3(5)2-4/h2,4H2,1H3","InChI=1S/C2H3NO2.CH4/c3-1-2(4)5;/h1H,3H2;1H4",63.6703,20.921210000000002,
4447,[C:1]([O:2][C:3](=[O:4])[C:5]([N:6]([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:2][C:5]([C:3](=[O:4])[N:6]([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C3H7NO2/c1-6-3(5)2-4/h2,4H2,1H3","InChI=1S/C3H7NO2/c1-6-2-3(4)5/h2H2,1H3,(H2,4,5)",101.51925,7.279210000000001,
4448,[C:1]([C@@:2]1([H:10])[N:3]([H:11])[C@:4]1([C:5]#[C:6][H:13])[H:12])([H:7])([H:8])[H:9],[C:1]([C+:2]1[N:3]([H:11])[C@:4]1([C-:5]=[C:6]([H:10])[H:13])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-3-5-4(2)6-5/h1,4-6H,2H3/t4-,5+/m1/s1","InChI=1S/C5H7N/c1-3-5-4(2)6-5/h5-6H,1H2,2H3/t5-/m0/s1",106.72,46.456309999999995,
4449,[C:1]([C@@:2]1([H:10])[N:3]([H:11])[C@:4]1([C:5]#[C:6][H:13])[H:12])([H:7])([H:8])[H:9],[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[N:3]([H:11])[C@@:4]2([H:12])[C:5][C:6]1([H:7])[H:13],"InChI=1S/C5H7N/c1-3-5-4(2)6-5/h1,4-6H,2H3/t4-,5+/m1/s1","InChI=1S/C5H7N/c1-2-4-5(3-1)6-4/h4-6H,1-2H2/t4-,5+/m1/s1",75.09676999999999,41.70089,
4450,[C:1]([C@@:2]1([H:10])[N:3]([H:11])[C@:4]1([C:5]#[C:6][H:13])[H:12])([H:7])([H:8])[H:9],[C:1](/[C:2](=[N:3]/[C:4]([C:5]#[C:6][H:13])([H:11])[H:12])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-3-5-4(2)6-5/h1,4-6H,2H3/t4-,5+/m1/s1","InChI=1S/C5H7N/c1-3-5-6-4-2/h1,4H,5H2,2H3/b6-4+",66.71656999999999,-8.907110000000001,
4451,[C:1]([C@@:2]1([H:10])[N:3]([H:11])[C@:4]1([C:5]#[C:6][H:13])[H:12])([H:7])([H:8])[H:9],[C:1]([C:2][C@@:4]([N:3]([H:10])[H:11])([C:5]#[C:6][H:13])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-3-5-4(2)6-5/h1,4-6H,2H3/t4-,5+/m1/s1","InChI=1S/C5H7N/c1-3-5(6)4-2/h1,5H,6H2,2H3/t5-/m0/s1",62.90506,61.942209999999996,
4452,[C:1]([C@@:2]1([H:10])[N:3]([H:11])[C@:4]1([C:5]#[C:6][H:13])[H:12])([H:7])([H:8])[H:9],[C:1]([C@@:2]([N:3]([H:11])[H:12])([C-:4]=[C:5]=[C+:6][H:13])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-3-5-4(2)6-5/h1,4-6H,2H3/t4-,5+/m1/s1","InChI=1S/C5H7N/c1-3-4-5(2)6/h1,5H,6H2,2H3/t5-/m1/s1",54.22074,46.10946,
4453,[C:1]([C@@:2]1([H:10])[N:3]([H:11])[C@:4]1([C:5]#[C:6][H:13])[H:12])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[N:3]([H:11])[C:4]1=[C:5]=[C:6]([H:12])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-3-5-4(2)6-5/h1,4-6H,2H3/t4-,5+/m1/s1","InChI=1S/C5H7N/c1-3-5-4(2)6-5/h4,6H,1H2,2H3/t4-/m1/s1",83.3002,0.92069,
4454,[C:1]([C@@:2]1([H:10])[N:3]([H:11])[C@:4]1([C:5]#[C:6][H:13])[H:12])([H:7])([H:8])[H:9],[C:1](=[C:2]([N:3]([C:4](=[C:5]=[C:6]([H:9])[H:13])[H:12])[H:11])[H:10])([H:7])[H:8],"InChI=1S/C5H7N/c1-3-5-4(2)6-5/h1,4-6H,2H3/t4-,5+/m1/s1","InChI=1S/C5H7N/c1-3-5-6-4-2/h4-6H,1-2H2",32.52163,-15.76965,
4455,[C:1]([C@@:2]1([H:10])[N:3]([H:11])[C@:4]1([C:5]#[C:6][H:13])[H:12])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[N:3]([H:11])[C@:4]1([C:6](=[C:5])[H:13])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-3-5-4(2)6-5/h1,4-6H,2H3/t4-,5+/m1/s1","InChI=1S/C5H7N/c1-3-5-4(2)6-5/h3-6H,2H3/t4-,5+/m1/s1",54.94198000000001,53.81915,Singlet_Carbene_Intra_Disproportionation
4456,[C:1]([C@@:2]1([H:10])[N:3]([H:11])[C@:4]1([C:5]#[C:6][H:13])[H:12])([H:7])([H:8])[H:9],[C:1](=[C:2]([H:9])[H:10])([H:7])[H:8].[N:3](=[C:4](\[C:5]#[C:6][H:13])[H:12])\[H:11],"InChI=1S/C5H7N/c1-3-5-4(2)6-5/h1,4-6H,2H3/t4-,5+/m1/s1","InChI=1S/C3H3N.C2H4/c1-2-3-4;1-2/h1,3-4H;1-2H2/b4-3-;",79.76925,8.72291,
4457,[C:1]([C@@:2]1([H:10])[N:3]([H:11])[C@:4]1([C:5]#[C:6][H:13])[H:12])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[N:3]([H:11])[C:4]([H:12])=[C:5]=[C:6]1[H:13])([H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-3-5-4(2)6-5/h1,4-6H,2H3/t4-,5+/m1/s1","InChI=1S/C5H7N/c1-5-3-2-4-6-5/h3-6H,1H3/t5-/m1/s1",68.456,6.41258,
4458,[C:1]([C@@:2]1([H:10])[N:3]([H:11])[C@:4]1([C:5]#[C:6][H:13])[H:12])([H:7])([H:8])[H:9],[C:1]([C:2](/[N:3]=[C:4](/[C:5]#[C:6][H:13])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-3-5-4(2)6-5/h1,4-6H,2H3/t4-,5+/m1/s1","InChI=1S/C5H7N/c1-3-5-6-4-2/h1,5H,4H2,2H3/b6-5+",66.78115,-10.654,
4459,[C:1]([C@@:2]1([H:10])[N:3]([H:11])[C@:4]1([C:5]#[C:6][H:13])[H:12])([H:7])([H:8])[H:9],[C:1]([C-:2]([N:3]([C:4](=[C:5]=[C+:6][H:13])[H:12])[H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-3-5-4(2)6-5/h1,4-6H,2H3/t4-,5+/m1/s1","InChI=1S/C5H7N/c1-3-5-6-4-2/h1,4-6H,2H3",30.769009999999998,12.30695,
4460,[C:1]([C@@:2]1([H:10])[N:3]([H:11])[C@:4]1([C:5]#[C:6][H:13])[H:12])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[N:3]([H:11])/[C:4]1=[C:5](\[C:6][H:13])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-3-5-4(2)6-5/h1,4-6H,2H3/t4-,5+/m1/s1","InChI=1S/C5H7N/c1-3-5-4(2)6-5/h1,3-4,6H,2H3/b5-3-/t4-/m1/s1",69.79315,56.14094,
4461,[C:1]([C@@:2]1([H:10])[N:3]([H:11])[C@:4]1([C:5]#[C:6][H:13])[H:12])([H:7])([H:8])[H:9],[C:1]([C:2]([N:3]([C-:4]=[C:5]=[C+:6][H:13])[H:11])([H:10])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-3-5-4(2)6-5/h1,4-6H,2H3/t4-,5+/m1/s1","InChI=1S/C5H7N/c1-3-5-6-4-2/h1,6H,4H2,2H3",67.29086,20.64844,
4462,[C:1]([C@@:2]1([H:10])[N:3]([H:11])[C@:4]1([C:5]#[C:6][H:13])[H:12])([H:7])([H:8])[H:9],[C:1]1([H:7])([H:8])[C@@:2]2([H:10])[N:3]([H:11])[C@@:4]2([H:12])[C:5]1=[C:6]([H:9])[H:13],"InChI=1S/C5H7N/c1-3-5-4(2)6-5/h1,4-6H,2H3/t4-,5+/m1/s1","InChI=1S/C5H7N/c1-3-2-4-5(3)6-4/h4-6H,1-2H2/t4-,5+/m1/s1",82.57191,-5.73177,
4463,[C:1]([C@@:2]1([C:3]([O:4][H:12])([H:10])[H:11])[C:5]([H:13])([H:14])[N:6]1[H:15])([H:7])([H:8])[H:9],[C:1]([C@:2]([C:3]([O:4][H:12])([H:10])[H:11])([N:6]([C:5][H:14])[H:15])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-4(3-6)2-5-4/h5-6H,2-3H2,1H3/t4-/m0/s1","InChI=1S/C4H9NO/c1-4(3-6)5-2/h2,4-6H,3H2,1H3/t4-/m1/s1",70.44445,35.51274,
4464,[C:1]([C@@:2]1([C:3]([O:4][H:12])([H:10])[H:11])[C:5]([H:13])([H:14])[N:6]1[H:15])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([C:3]([O:4][H:12])([H:10])[H:11])[C-:5]([H:13])[N+:6]1([H:14])[H:15])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-4(3-6)2-5-4/h5-6H,2-3H2,1H3/t4-/m0/s1","InChI=1S/C4H9NO/c1-4(3-6)2-5-4/h2,6H,3,5H2,1H3/t4-/m0/s1",66.59078000000001,56.67285,
4465,[C:1]([C@@:2]1([C:3]([O:4][H:12])([H:10])[H:11])[C:5]([H:13])([H:14])[N:6]1[H:15])([H:7])([H:8])[H:9],[C:1]([C@@:2]([C:3]([O:4][H:12])([H:10])[H:11])([N:6]=[C:5]([H:13])[H:14])[H:15])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-4(3-6)2-5-4/h5-6H,2-3H2,1H3/t4-/m0/s1","InChI=1S/C4H9NO/c1-4(3-6)5-2/h4,6H,2-3H2,1H3/t4-/m0/s1",65.3746,-2.81648,
4466,[C:1]([C@@:2]1([C:3]([O:4][H:12])([H:10])[H:11])[C:5]([H:13])([H:14])[N:6]1[H:15])([H:7])([H:8])[H:9],[C:1]([C:5]([N:6]([C:2][C:3]([O:4][H:12])([H:10])[H:11])[H:15])([H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-4(3-6)2-5-4/h5-6H,2-3H2,1H3/t4-/m0/s1","InChI=1S/C4H9NO/c1-2-5-3-4-6/h5-6H,2,4H2,1H3",92.21981,34.63015,
4467,[C:1]([C@@:2]1([C:3]([O:4][H:12])([H:10])[H:11])[C:5]([H:13])([H:14])[N:6]1[H:15])([H:7])([H:8])[H:9],[C:1](/[C:2]([C:3]([O:4][H:12])([H:10])[H:11])=[N:6]\[C:5]([H:13])([H:14])[H:15])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-4(3-6)2-5-4/h5-6H,2-3H2,1H3/t4-/m0/s1","InChI=1S/C4H9NO/c1-4(3-6)5-2/h6H,3H2,1-2H3/b5-4+",59.30135,-14.19953,
4468,[C:1]([C@@:2]1([C:3]([O:4][H:12])([H:10])[H:11])[C:5]([H:13])([H:14])[N:6]1[H:15])([H:7])([H:8])[H:9],[C-:1]([C@@:2]1([C:3]([O:4][H:12])([H:10])[H:11])[C+:5]([H:13])[N:6]1[H:15])([H:8])[H:9].[H:7][H:14],"InChI=1S/C4H9NO/c1-4(3-6)2-5-4/h5-6H,2-3H2,1H3/t4-/m0/s1","InChI=1S/C4H7NO.H2/c1-4(3-6)2-5-4;/h2,5-6H,1,3H2;1H/t4-;/m0./s1",116.0318,86.20501,
4469,[C:1]([C@@:2]1([C:3]([O:4][H:12])([H:10])[H:11])[C:5]([H:13])([H:14])[N:6]1[H:15])([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:13].[C:2]1([C:3]([O:4][H:12])([H:10])[H:11])=[C:5]([H:14])[N:6]1[H:15],"InChI=1S/C4H9NO/c1-4(3-6)2-5-4/h5-6H,2-3H2,1H3/t4-/m0/s1","InChI=1S/C3H5NO.CH4/c5-2-3-1-4-3;/h1,4-5H,2H2;1H4",116.14781,59.53448,
4470,[C:1]([C@@:2]1([C:3]([O:4][H:12])([H:10])[H:11])[C:5]([H:13])([H:14])[N:6]1[H:15])([H:7])([H:8])[H:9],[C:1]([C-:2]1[C:5]([H:13])([H:14])[N+:6]1([C:3]([O:4][H:12])([H:10])[H:11])[H:15])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-4(3-6)2-5-4/h5-6H,2-3H2,1H3/t4-/m0/s1","InChI=1S/C4H9NO/c1-4-2-5(4)3-6/h5-6H,2-3H2,1H3",94.0404,61.033319999999996,
4471,[C:1]([C@@:2]1([C:3]([O:4][H:12])([H:10])[H:11])[C:5]([H:13])([H:14])[N:6]1[H:15])([H:7])([H:8])[H:9],[C:1]([C:2][N:6]([C:5]([C:3]([O:4][H:12])([H:10])[H:11])([H:13])[H:14])[H:15])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-4(3-6)2-5-4/h5-6H,2-3H2,1H3/t4-/m0/s1","InChI=1S/C4H9NO/c1-2-5-3-4-6/h5-6H,3-4H2,1H3",95.87338000000001,24.46205,
4472,[C:1]([C@@:2]1([C:3]([O:4][H:12])([H:10])[H:11])[C:5]([H:13])([H:14])[N:6]1[H:15])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:5]([H:13])[H:14])[N:6]([C:3]([O:4][H:12])([H:10])[H:11])[H:15])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-4(3-6)2-5-4/h5-6H,2-3H2,1H3/t4-/m0/s1","InChI=1S/C4H9NO/c1-4(2)5-3-6/h5-6H,1,3H2,2H3",64.34872,-10.851230000000001,
4473,[C:1]([C@@:2]1([C:3]([O:4][H:12])([H:10])[H:11])[C:5]([H:13])([H:14])[N:6]1[H:15])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([C:3][H:11])[C:5]([H:13])([H:14])[N:6]1[H:15])([H:7])([H:8])[H:9].[O:4]([H:10])[H:12],"InChI=1S/C4H9NO/c1-4(3-6)2-5-4/h5-6H,2-3H2,1H3/t4-/m0/s1","InChI=1S/C4H7N.H2O/c1-4(2)3-5-4;/h1,5H,3H2,2H3;1H2/t4-;/m0./s1",75.9412,21.35258,
4474,[N:1](=[C:2](/[O:3][C:4]([C:5]#[C:6][H:11])([H:9])[H:10])[H:8])\[H:7],[N:1]([C:2](=[O:3])[H:8])([C:5]1=[C:6]([H:11])[C:4]1([H:9])[H:10])[H:7],"InChI=1S/C4H5NO/c1-2-3-6-4-5/h1,4-5H,3H2/b5-4+","InChI=1S/C4H5NO/c6-3-5-4-1-2-4/h1,3H,2H2,(H,5,6)",37.30227,-4.82753,
4475,[N:1](=[C:2](/[O:3][C:4]([C:5]#[C:6][H:11])([H:9])[H:10])[H:8])\[H:7],[N:1](=[C:2](/[O:3][C:4]([C:6](=[C:5])[H:11])([H:9])[H:10])[H:8])\[H:7],"InChI=1S/C4H5NO/c1-2-3-6-4-5/h1,4-5H,3H2/b5-4+","InChI=1S/C4H5NO/c1-2-3-6-4-5/h2,4-5H,3H2/b5-4+",54.84226999999999,51.93822,Singlet_Carbene_Intra_Disproportionation
4476,[N:1](=[C:2](/[O:3][C:4]([C:5]#[C:6][H:11])([H:9])[H:10])[H:8])\[H:7],[N:1](=[C:2](/[O:3]/[C:4](=[C:5](\[C:6][H:11])[H:10])[H:9])[H:8])\[H:7],"InChI=1S/C4H5NO/c1-2-3-6-4-5/h1,4-5H,3H2/b5-4+","InChI=1S/C4H5NO/c1-2-3-6-4-5/h1-5H/b3-2-,5-4+",61.808859999999996,54.11111999999999,
4477,[N:1](=[C:2](/[O:3][C:4]([C:5]#[C:6][H:11])([H:9])[H:10])[H:8])\[H:7],[N:1]([C:2](=[O:3])[H:8])([C:4]([C:5]#[C:6][H:11])([H:9])[H:10])[H:7],"InChI=1S/C4H5NO/c1-2-3-6-4-5/h1,4-5H,3H2/b5-4+","InChI=1S/C4H5NO/c1-2-3-5-4-6/h1,4H,3H2,(H,5,6)",37.17538,-15.656939999999999,ketoenol
4478,[N:1](=[C:2](/[O:3][C:4]([C:5]#[C:6][H:11])([H:9])[H:10])[H:8])\[H:7],[N:1]([C:2](=[O:3])[H:8])([C:6](=[C:5]=[C:4]([H:9])[H:10])[H:11])[H:7],"InChI=1S/C4H5NO/c1-2-3-6-4-5/h1,4-5H,3H2/b5-4+","InChI=1S/C4H5NO/c1-2-3-5-4-6/h3-4H,1H2,(H,5,6)",24.3001,-22.82788,
4479,[N:1](=[C:2](/[O:3][C:4]([C:5]#[C:6][H:11])([H:9])[H:10])[H:8])\[H:7],[N:1](=[C:2](/[O:3][C:6](=[C:5]=[C:4]([H:9])[H:10])[H:11])[H:8])\[H:7],"InChI=1S/C4H5NO/c1-2-3-6-4-5/h1,4-5H,3H2/b5-4+","InChI=1S/C4H5NO/c1-2-3-6-4-5/h3-5H,1H2/b5-4+",57.880109999999995,-1.76292,
4480,[N:1](=[C:2](/[O:3][C:4]([C:5]#[C:6][H:11])([H:9])[H:10])[H:8])\[H:7],[N:1]([C:2][H:8])([C:5]1=[C:6]([H:11])[O:3][C:4]1([H:9])[H:10])[H:7],"InChI=1S/C4H5NO/c1-2-3-6-4-5/h1,4-5H,3H2/b5-4+","InChI=1S/C4H5NO/c1-5-4-2-6-3-4/h1-2,5H,3H2",107.84700000000001,50.54887,
4481,[N:1](=[C:2](/[O:3][C:4]([C:5]#[C:6][H:11])([H:9])[H:10])[H:8])\[H:7],[N:1]([C:2](=[O+:3][C-:4]([C:5]#[C:6][H:11])[H:9])[H:8])([H:7])[H:10],"InChI=1S/C4H5NO/c1-2-3-6-4-5/h1,4-5H,3H2/b5-4+","InChI=1S/C4H5NO/c1-2-3-6-4-5/h1,3-4H,5H2",38.303740000000005,33.86639,
4482,[N:1](=[C:2](/[O:3][C:4]([C:5]#[C:6][H:11])([H:9])[H:10])[H:8])\[H:7],[N:1]1([H:7])[C:2]([H:8])=[O+:3][C:4]([H:9])([H:10])[C:5]([H:11])=[C-:6]1,"InChI=1S/C4H5NO/c1-2-3-6-4-5/h1,4-5H,3H2/b5-4+","InChI=1S/C4H5NO/c1-2-5-4-6-3-1/h1,4-5H,3H2",43.38984,20.06331,
4483,[N:1](=[C:2](/[O:3][C:4]([C:5]#[C:6][H:11])([H:9])[H:10])[H:8])\[H:7],[N:1]#[C:2][H:8].[O:3]([C:4]([C:5]#[C:6][H:11])([H:9])[H:10])[H:7],"InChI=1S/C4H5NO/c1-2-3-6-4-5/h1,4-5H,3H2/b5-4+","InChI=1S/C3H4O.CHN/c1-2-3-4;1-2/h1,4H,3H2;1H",58.75045,13.794220000000001,
4484,[N:1](=[C:2](/[O:3][C:4]1([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])[H:8])\[H:7],[C:4]1([H:8])([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13].[N:1](=[C:2]=[O:3])[H:7],"InChI=1S/C4H7NO/c5-3-6-4-1-2-4/h3-5H,1-2H2/b5-3+",InChI=1S/C3H6.CHNO/c1-2-3-1;2-1-3/h1-3H2;2H,72.73541,-17.81796,
4485,[N:1](=[C:2](/[O:3][C:4]1([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])[H:8])\[H:7],[H:7][H:9].[N:1]#[C:2][H:8].[O:3]=[C:4]1[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13],"InChI=1S/C4H7NO/c5-3-6-4-1-2-4/h3-5H,1-2H2/b5-3+",InChI=1S/C3H4O.CHN.H2/c4-3-1-2-3;1-2;/h1-2H2;1H;1H,59.41741,38.18533,
4486,[N:1](=[C:2](/[O:3][C:4]1([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])[H:8])\[H:7],[N:1]([C:2](=[O:3])[H:8])([C:4]1([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])[H:7],"InChI=1S/C4H7NO/c5-3-6-4-1-2-4/h3-5H,1-2H2/b5-3+","InChI=1S/C4H7NO/c6-3-5-4-1-2-4/h3-4H,1-2H2,(H,5,6)",43.97708,-18.90793,ketoenol
4487,[N:1](=[C:2](/[O:3][C:4]1([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])[H:8])\[H:7],[N:1]1([H:7])[C:2]([H:8])=[O+:3][C-:4]([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13],"InChI=1S/C4H7NO/c5-3-6-4-1-2-4/h3-5H,1-2H2/b5-3+","InChI=1S/C4H7NO/c1-2-5-4-6-3-1/h3-5H,1-2H2",52.54184,31.10503,
4488,[N:1](=[C:2](/[O:3][C:4]1([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])[H:8])\[H:7],[C:4]1([H:9])=[C:6]([H:13])[C:5]1([H:10])[H:11].[N:1]([C:2](=[O:3])[H:8])([H:7])[H:12],"InChI=1S/C4H7NO/c5-3-6-4-1-2-4/h3-5H,1-2H2/b5-3+","InChI=1S/C3H4.CH3NO/c1-2-3-1;2-1-3/h1-2H,3H2;1H,(H2,2,3)",39.8831,21.33428,Retroene
4489,[N:1](=[C:2](/[O:3][C:4]1([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])[H:8])\[H:7],[N:1]([C-:2]=[O+:3][C:4]1([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])([H:7])[H:8],"InChI=1S/C4H7NO/c5-3-6-4-1-2-4/h3-5H,1-2H2/b5-3+","InChI=1S/C4H7NO/c5-3-6-4-1-2-4/h4H,1-2,5H2",67.65764,26.31393,
4490,[N:1](=[C:2](/[O:3][C:4]1([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])[H:8])\[H:7],[H:7][H:8].[N:1]#[C:2][O:3][C:4]1([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13],"InChI=1S/C4H7NO/c5-3-6-4-1-2-4/h3-5H,1-2H2/b5-3+","InChI=1S/C4H5NO.H2/c5-3-6-4-1-2-4;/h4H,1-2H2;1H",92.42939,26.696559999999998,
4491,[N:1](=[C:2](/[O:3][C:4]1([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])[H:8])\[H:7],[N:1](=[C:2]([H:8])[H:11])[H:7].[O:3]=[C:4]([C:5](=[C:6]([H:12])[H:13])[H:10])[H:9],"InChI=1S/C4H7NO/c5-3-6-4-1-2-4/h3-5H,1-2H2/b5-3+","InChI=1S/C3H4O.CH3N/c1-2-3-4;1-2/h2-3H,1H2;2H,1H2",70.41778000000001,6.34859,
4492,[N:1](=[C:2](/[O:3][C:4]1([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])[H:8])\[H:7],[N:1](=[C:2](/[O:3][C:4]([C:5]([C:6][H:12])([H:10])[H:11])([H:9])[H:13])[H:8])\[H:7],"InChI=1S/C4H7NO/c5-3-6-4-1-2-4/h3-5H,1-2H2/b5-3+","InChI=1S/C4H7NO/c1-2-3-6-4-5/h1,4-5H,2-3H2/b5-4+",73.75923,80.55606,
4493,[N:1](=[C:2](/[O:3][C:4]1([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])[H:8])\[H:7],[N:1]#[C:2][H:8].[O:3]=[C:4]([C:6]([C:5]([H:7])([H:10])[H:11])([H:12])[H:13])[H:9],"InChI=1S/C4H7NO/c5-3-6-4-1-2-4/h3-5H,1-2H2/b5-3+","InChI=1S/C3H6O.CHN/c1-2-3-4;1-2/h3H,2H2,1H3;1H",36.15043,-9.03796,
4494,[N:1](=[C:2](/[O:3][C:4]1([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])[H:8])\[H:7],[N:1]1([H:7])[C@@:2]([O:3][C:4](=[C:6]([H:12])[H:13])[H:9])([H:8])[C:5]1([H:10])[H:11],"InChI=1S/C4H7NO/c5-3-6-4-1-2-4/h3-5H,1-2H2/b5-3+","InChI=1S/C4H7NO/c1-2-6-4-3-5-4/h2,4-5H,1,3H2/t4-/m1/s1",73.88971,16.52121,
4495,[N:1](=[C:2](/[O:3][C:4]1([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])[H:8])\[H:7],[C:5](=[C:6]([H:12])[H:13])([H:10])[H:11].[N:1](=[C:2](/[C:4](=[O:3])[H:9])[H:8])\[H:7],"InChI=1S/C4H7NO/c5-3-6-4-1-2-4/h3-5H,1-2H2/b5-3+",InChI=1S/C2H3NO.C2H4/c3-1-2-4;1-2/h1-3H;1-2H2/b3-1+;,69.25815,11.81674,
4496,[N:1](=[C:2](/[O:3][C:4]1([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])[H:8])\[H:7],[N:1]([C:2](=[O:3])[H:8])([C:5]([C:4](=[C:6]([H:12])[H:13])[H:9])([H:10])[H:11])[H:7],"InChI=1S/C4H7NO/c5-3-6-4-1-2-4/h3-5H,1-2H2/b5-3+","InChI=1S/C4H7NO/c1-2-3-5-4-6/h2,4H,1,3H2,(H,5,6)",38.17946,-24.47754,
4497,[N:1](=[C:2](/[O:3][C:4]1([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])[H:8])\[H:7],[N:1](=[C:2](/[O+:3]=[C-:4][C:6]([C:5]([H:9])([H:10])[H:11])([H:12])[H:13])[H:8])\[H:7],"InChI=1S/C4H7NO/c5-3-6-4-1-2-4/h3-5H,1-2H2/b5-3+","InChI=1S/C4H7NO/c1-2-3-6-4-5/h4-5H,2H2,1H3/b5-4+",53.46655,37.561679999999996,
4498,[N:1](=[C:2](/[O:3][C:4]1([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])[H:8])\[H:7],[N:1]#[C:2][H:8].[O:3]([C:4]1([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])[H:7],"InChI=1S/C4H7NO/c5-3-6-4-1-2-4/h3-5H,1-2H2/b5-3+","InChI=1S/C3H6O.CHN/c4-3-1-2-3;1-2/h3-4H,1-2H2;1H",52.76136999999999,9.95945,
4499,[N:1](=[C:2](/[O:3][C:4]1([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])[H:8])\[H:7],[H:7][H:11].[N:1]1=[C:2]([H:8])[O:3][C@@:4]2([H:9])[C@:5]1([H:10])[C:6]2([H:12])[H:13],"InChI=1S/C4H7NO/c5-3-6-4-1-2-4/h3-5H,1-2H2/b5-3+","InChI=1S/C4H5NO.H2/c1-3-4(1)6-2-5-3;/h2-4H,1H2;1H/t3-,4+;/m0./s1",104.36734,15.220360000000001,
4500,[N:1](=[C:2](/[O:3][C:4]1([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])[H:8])\[H:7],[N:1](=[C:2](/[O:3][C@@:4]([C:5][H:10])([C:6]([H:11])([H:12])[H:13])[H:9])[H:8])\[H:7],"InChI=1S/C4H7NO/c5-3-6-4-1-2-4/h3-5H,1-2H2/b5-3+","InChI=1S/C4H7NO/c1-4(2)6-3-5/h1,3-5H,2H3/b5-3+/t4-/m0/s1",64.88436999999999,71.6287,
4501,[N:1](=[C:2](/[O:3][C:4]1([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])[H:8])\[H:7],[N:1](=[C:2]=[O+:3][C:4]([C:5]([C-:6]([H:12])[H:13])([H:10])[H:11])([H:8])[H:9])[H:7],"InChI=1S/C4H7NO/c5-3-6-4-1-2-4/h3-5H,1-2H2/b5-3+","InChI=1S/C4H7NO/c1-2-3-6-4-5/h5H,1-3H2",72.28402,64.45679,
4502,[N:1](=[C:2](/[O:3][C:4]1([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])[H:8])\[H:7],[C:6]([H:12])[H:13].[N:1](=[C:2](/[O:3][C:4](=[C:5]([H:10])[H:11])[H:9])[H:8])\[H:7],"InChI=1S/C4H7NO/c5-3-6-4-1-2-4/h3-5H,1-2H2/b5-3+","InChI=1S/C3H5NO.CH2/c1-2-5-3-4;/h2-4H,1H2;1H2/b4-3+;",95.9225,108.95081,1+2_Cycloaddition
4503,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C@:5]1([C:6]([H:16])([H:17])[H:18])[H:15])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C:5]1)([H:7])([H:8])[H:9].[C:6]([H:15])([H:16])([H:17])[H:18],"InChI=1S/C6H12/c1-5-3-4-6(5)2/h5-6H,3-4H2,1-2H3/t5-,6+","InChI=1S/C5H8.CH4/c1-5-3-2-4-5;/h5H,2-3H2,1H3;1H4/t5-;/m0./s1",86.0439,89.00525999999999,
4504,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C@:5]1([C:6]([H:16])([H:17])[H:18])[H:15])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]([H:11])[H:12])[H:10])([H:7])([H:8])[H:9].[C:4](=[C:5]([C:6]([H:16])([H:17])[H:18])[H:15])([H:13])[H:14],"InChI=1S/C6H12/c1-5-3-4-6(5)2/h5-6H,3-4H2,1-2H3/t5-,6+","InChI=1S/2C3H6/c2*1-3-2/h2*3H,1H2,2H3",86.50965,15.407760000000001,
4505,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C@:5]1([C:6]([H:16])([H:17])[H:18])[H:15])([H:7])([H:8])[H:9],[C:1]([C@@:2]([C:3][H:12])([C:5]([C:4]([H:11])([H:13])[H:14])([C:6]([H:16])([H:17])[H:18])[H:15])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C6H12/c1-5-3-4-6(5)2/h5-6H,3-4H2,1-2H3/t5-,6+","InChI=1S/C6H12/c1-5(2)6(3)4/h1,5-6H,2-4H3/t5-/m1/s1",78.01574000000001,80.37353,
4506,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C@:5]1([C:6]([H:16])([H:17])[H:18])[H:15])([H:7])([H:8])[H:9],[C:1](=[C:2]([C:5]1([C:6]([H:16])([H:17])[H:18])[C:3]([H:11])([H:12])[C:4]1([H:13])[H:14])[H:10])([H:8])[H:9].[H:7][H:15],"InChI=1S/C6H12/c1-5-3-4-6(5)2/h5-6H,3-4H2,1-2H3/t5-,6+","InChI=1S/C6H10.H2/c1-3-6(2)4-5-6;/h3H,1,4-5H2,2H3;1H",94.52016,29.31702,
4507,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C@:5]1([C:6]([H:16])([H:17])[H:18])[H:15])([H:7])([H:8])[H:9],[C:1]([C@@:2]([C:3]([C:4]([H:13])([H:14])[H:15])([H:11])[H:12])([C:5][C:6]([H:16])([H:17])[H:18])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C6H12/c1-5-3-4-6(5)2/h5-6H,3-4H2,1-2H3/t5-,6+","InChI=1S/C6H12/c1-4-6(3)5-2/h6H,4H2,1-3H3/t6-/m0/s1",73.55175,71.17319,
4508,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C@:5]1([C:6]([H:16])([H:17])[H:18])[H:15])([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:13].[C@:2]12([H:10])[C:3]([H:11])([H:12])[C@:4]1([H:14])[C:5]2([C:6]([H:16])([H:17])[H:18])[H:15],"InChI=1S/C6H12/c1-5-3-4-6(5)2/h5-6H,3-4H2,1-2H3/t5-,6+","InChI=1S/C5H8.CH4/c1-3-4-2-5(3)4;/h3-5H,2H2,1H3;1H4/t4-,5-;/m1./s1",100.73819,92.06483,
4509,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C@:5]1([C:6]([H:16])([H:17])[H:18])[H:15])([H:7])([H:8])[H:9],[C:1](=[C:2]([C@:3]1([H:12])[C:4]([H:13])([H:14])[C@:5]1([C:6]([H:16])([H:17])[H:18])[H:15])[H:10])([H:8])[H:9].[H:7][H:11],"InChI=1S/C6H12/c1-5-3-4-6(5)2/h5-6H,3-4H2,1-2H3/t5-,6+","InChI=1S/C6H10.H2/c1-3-6-4-5(6)2;/h3,5-6H,1,4H2,2H3;1H/t5-,6-;/m1./s1",95.92987,29.656290000000002,
4510,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C@:5]1([C:6]([H:16])([H:17])[H:18])[H:15])([H:7])([H:8])[H:9],[C:1]([C@@:2]([C:3]([C:4][H:14])([H:11])[H:12])([C:5]([C:6]([H:16])([H:17])[H:18])([H:13])[H:15])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C6H12/c1-5-3-4-6(5)2/h5-6H,3-4H2,1-2H3/t5-,6+","InChI=1S/C6H12/c1-4-6(3)5-2/h1,6H,4-5H2,2-3H3/t6-/m0/s1",77.8921,82.71949000000001,
4511,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C@:5]1([C:6]([H:16])([H:17])[H:18])[H:15])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([C:4]([C:5][C:6]([H:16])([H:17])[H:18])([H:13])[H:14])([H:11])[H:12])([H:10])[H:15])([H:7])([H:8])[H:9],"InChI=1S/C6H12/c1-5-3-4-6(5)2/h5-6H,3-4H2,1-2H3/t5-,6+","InChI=1S/C6H12/c1-3-5-6-4-2/h3,5-6H2,1-2H3",70.70838,68.87177,
4512,[o:1]1[n:2][c:3]([H:6])[c:4]([H:7])[n:5]1,[C:4](#[N:5])[H:7].[O-:1][N+:2]#[C:3][H:6],InChI=1S/C2H2N2O/c1-2-4-5-3-1/h1-2H,InChI=1S/CHNO.CHN/c1-2-3;1-2/h1H;1H,38.45598,23.136039999999998,
4513,[o:1]1[n:2][c:3]([H:6])[c:4]([H:7])[n:5]1,[C:3](#[C:4][H:7])[H:6].[O+:1](=[N-:2])[N:5],InChI=1S/C2H2N2O/c1-2-4-5-3-1/h1-2H,InChI=1S/C2H2.N2O/c1-2;1-3-2/h1-2H;,132.43495,130.70439,
4514,[o:1]1[n:2][c:3]([H:6])[c:4]([H:7])[n:5]1,[O:1]=[N:2][C:3](=[C:4]=[N:5][H:7])[H:6],InChI=1S/C2H2N2O/c1-2-4-5-3-1/h1-2H,InChI=1S/C2H2N2O/c3-1-2-4-5/h2-3H,57.87666,20.94361,
4515,[o:1]1[n:2][c:3]([H:6])[c:4]([H:7])[n:5]1,[O:1]=[N:5][C@:4]1([H:7])[N:2]=[C:3]1[H:6],InChI=1S/C2H2N2O/c1-2-4-5-3-1/h1-2H,InChI=1S/C2H2N2O/c5-4-2-1-3-2/h1-2H/t2-/m0/s1,134.16642,48.28695,ketoenol
4516,[C:1]([C:2](=[O:3])[N:4]([C:5](=[O:6])[H:11])[H:10])([H:7])([H:8])[H:9],[C-:2]#[O+:3].[C:1]([O:6]/[C:5](=[N:4]\[H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C3H5NO2/c1-3(6)4-2-5/h2H,1H3,(H,4,5,6)","InChI=1S/C2H5NO.CO/c1-4-2-3;1-2/h2-3H,1H3;/b3-2-;",104.33864,35.22573,
4517,[C:1]([C:2](=[O:3])[N:4]([C:5](=[O:6])[H:11])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2](=[O:3])[N+:4](=[C-:5][O:6][H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C3H5NO2/c1-3(6)4-2-5/h2H,1H3,(H,4,5,6)","InChI=1S/C3H5NO2/c1-3(6)4-2-5/h4-5H,1H3",77.61157,44.92742,
4518,[C:1]([C:2](=[O:3])[N:4]([C:5](=[O:6])[H:11])[H:10])([H:7])([H:8])[H:9],[C:1]1([H:8])([H:9])/[C:2](=[N:4]/[H:10])[O:3]1.[C:5](=[O:6])([H:7])[H:11],"InChI=1S/C3H5NO2/c1-3(6)4-2-5/h2H,1H3,(H,4,5,6)","InChI=1S/C2H3NO.CH2O/c3-2-1-4-2;1-2/h3H,1H2;1H2/b3-2-;",86.87700000000001,74.6736,
4519,[C:1]([C:2](=[O:3])[N:4]([C:5](=[O:6])[H:11])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2](=[O:3])[H:7])([O:6]/[C:5](=[N:4]/[H:10])[H:11])([H:8])[H:9],"InChI=1S/C3H5NO2/c1-3(6)4-2-5/h2H,1H3,(H,4,5,6)","InChI=1S/C3H5NO2/c4-3-6-2-1-5/h1,3-4H,2H2/b4-3+",99.25961,35.52966,
4520,[C:1]([C:2](=[O:3])[N:4]([C:5](=[O:6])[H:11])[H:10])([H:7])([H:8])[H:9],[C:1](/[C:2]([O:3][C:5](=[O:6])[H:11])=[N:4]\[H:10])([H:7])([H:8])[H:9],"InChI=1S/C3H5NO2/c1-3(6)4-2-5/h2H,1H3,(H,4,5,6)","InChI=1S/C3H5NO2/c1-3(4)6-2-5/h2,4H,1H3/b4-3+",36.61217,18.511429999999997,ketoenol
4521,[C:1]([C:2](=[O:3])[N:4]([C:5](=[O:6])[H:11])[H:10])([H:7])([H:8])[H:9],[C:1](=[C:2]=[O:3])([H:8])[H:9].[N:4](=[C:5](\[O:6][H:7])[H:11])\[H:10],"InChI=1S/C3H5NO2/c1-3(6)4-2-5/h2H,1H3,(H,4,5,6)","InChI=1S/C2H2O.CH3NO/c1-2-3;2-1-3/h1H2;1H,(H2,2,3)",63.30704,40.91284,Retroene
4522,[C:1]([C:2](=[O:3])[N:4]([C:5](=[O:6])[H:11])[H:10])([H:7])([H:8])[H:9],[C:1](=[C:2]=[O:3])([H:8])[H:9].[N:4]([C:5](=[O:6])[H:11])([H:7])[H:10],"InChI=1S/C3H5NO2/c1-3(6)4-2-5/h2H,1H3,(H,4,5,6)","InChI=1S/C2H2O.CH3NO/c1-2-3;2-1-3/h1H2;1H,(H2,2,3)",70.06779,29.32913,
4523,[C:1]([C:2](=[O:3])[N:4]([C:5](=[O:6])[H:11])[H:10])([H:7])([H:8])[H:9],[C:1](=[C:2]1[O:3][C@@:5]([O:6][H:7])([H:11])[N:4]1[H:10])([H:8])[H:9],"InChI=1S/C3H5NO2/c1-3(6)4-2-5/h2H,1H3,(H,4,5,6)","InChI=1S/C3H5NO2/c1-2-4-3(5)6-2/h3-5H,1H2/t3-/m0/s1",87.97621,46.16012,
4524,[C:1]([C:2](=[O:3])[N:4]([C:5](=[O:6])[H:11])[H:10])([H:7])([H:8])[H:9],[C:1](=[C:2]([O:3][H:7])[N:4]([C:5](=[O:6])[H:11])[H:10])([H:8])[H:9],"InChI=1S/C3H5NO2/c1-3(6)4-2-5/h2H,1H3,(H,4,5,6)","InChI=1S/C3H5NO2/c1-3(6)4-2-5/h2,6H,1H2,(H,4,5)",63.65342,18.74609,ketoenol
4525,[C:1]([C:2](=[O:3])[N:4]([C:5](=[O:6])[H:11])[H:10])([H:7])([H:8])[H:9],[C:1]([O+:3]=[C-:2][N:4]([C:5](=[O:6])[H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C3H5NO2/c1-3(6)4-2-5/h2H,1H3,(H,4,5,6)","InChI=1S/C3H5NO2/c1-6-3-4-2-5/h2H,1H3,(H,4,5)",102.46822,61.326859999999996,
4526,[C:1]([C:2](=[O:3])[N:4]([C:5](=[O:6])[H:11])[H:10])([H:7])([H:8])[H:9],[C:1](/[C:2]([O:3][H:10])=[N:4]\[C:5](=[O:6])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C3H5NO2/c1-3(6)4-2-5/h2H,1H3,(H,4,5,6)","InChI=1S/C3H5NO2/c1-3(6)4-2-5/h2H,1H3,(H,4,5,6)",40.15733,13.73174,ketoenol
4527,[C:1]([C:2](=[O:3])[N:4]([C:5](=[O:6])[H:11])[H:10])([H:7])([H:8])[H:9],[C-:5]#[O+:6].[C:1](/[C:2]([O:3][H:11])=[N:4]\[H:10])([H:7])([H:8])[H:9],"InChI=1S/C3H5NO2/c1-3(6)4-2-5/h2H,1H3,(H,4,5,6)","InChI=1S/C2H5NO.CO/c1-2(3)4;1-2/h1H3,(H2,3,4);",40.40945,15.98054,
4528,[C:1]([C:2](=[O:3])[N:4]([C:5](=[O:6])[H:11])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2]1([N:4]([C:5][H:11])[H:10])[O:3][O:6]1)([H:7])([H:8])[H:9],"InChI=1S/C3H5NO2/c1-3(6)4-2-5/h2H,1H3,(H,4,5,6)","InChI=1S/C3H5NO2/c1-3(4-2)5-6-3/h2,4H,1H3",183.27508,144.02598999999998,
4529,[C:1]([C:2](=[O:3])[N:4]([C:5](=[O:6])[H:11])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2](=[O:3])[H:11])([H:7])([H:8])[H:9].[N:4](=[C:5]=[O:6])[H:10],"InChI=1S/C3H5NO2/c1-3(6)4-2-5/h2H,1H3,(H,4,5,6)","InChI=1S/C2H4O.CHNO/c1-2-3;2-1-3/h2H,1H3;2H",57.77203000000001,18.98493,
4530,[C:1]([C:2](=[O:3])[N:4]([C:5](=[O:6])[H:11])[H:10])([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:10].[C:2](=[O:3])=[N:4][C:5](=[O:6])[H:11],"InChI=1S/C3H5NO2/c1-3(6)4-2-5/h2H,1H3,(H,4,5,6)",InChI=1S/C2HNO2.CH4/c4-1-3-2-5;/h1H;1H4,75.93809,14.044189999999999,
4531,[C:1]([C:2](=[O:3])[N:4]([C:5](=[O:6])[H:11])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2](=[O:3])/[N:4]=[C:5](/[O:6][H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C3H5NO2/c1-3(6)4-2-5/h2H,1H3,(H,4,5,6)","InChI=1S/C3H5NO2/c1-3(6)4-2-5/h2H,1H3,(H,4,5,6)",40.4613,11.15886,ketoenol
4532,[C:1]([C:2](=[O:3])[N:4]([C:5](=[O:6])[H:11])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2](=[O:3])[O:6]/[C:5](=[N:4]/[H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C3H5NO2/c1-3(6)4-2-5/h2H,1H3,(H,4,5,6)","InChI=1S/C3H5NO2/c1-3(5)6-2-4/h2,4H,1H3/b4-2+",35.67853,18.41006,ketoenol
4533,[C:1]([C:2](=[O:3])[N:4]([C:5](=[O:6])[H:11])[H:10])([H:7])([H:8])[H:9],[C:1]1([H:8])([H:9])/[C:2](=[N:4]/[C:5](=[O:6])[H:11])[O:3]1.[H:7][H:10],"InChI=1S/C3H5NO2/c1-3(6)4-2-5/h2H,1H3,(H,4,5,6)","InChI=1S/C3H3NO2.H2/c5-2-4-3-1-6-3;/h2H,1H2;1H/b4-3-;",94.06501999999999,75.10632,
4534,[N:1]([C:2](=[O:3])[C:4]1([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])([H:7])[H:8],[N:1]([C:2]1=[C:4]([H:9])[C:5]([H:10])([H:11])[C:6]([H:12])([H:13])[O:3]1)([H:7])[H:8],"InChI=1S/C4H7NO/c5-4(6)3-1-2-3/h3H,1-2H2,(H2,5,6)","InChI=1S/C4H7NO/c5-4-2-1-3-6-4/h2H,1,3,5H2",52.566219999999994,13.686229999999998,ketoenol
4535,[N:1]([C:2](=[O:3])[C:4]1([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])([H:7])[H:8],[N:1](=[C:2]1\[O:3][C@:4]1([C:6]([C:5]([H:7])([H:10])[H:11])([H:12])[H:13])[H:9])\[H:8],"InChI=1S/C4H7NO/c5-4(6)3-1-2-3/h3H,1-2H2,(H2,5,6)","InChI=1S/C4H7NO/c1-2-3-4(5)6-3/h3,5H,2H2,1H3/b5-4-/t3-/m0/s1",66.77121,28.392509999999998,
4536,[N:1]([C:2](=[O:3])[C:4]1([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])([H:7])[H:8],[N:1]([C:6]([C:5]([C:4](=[C:2]=[O:3])[H:9])([H:10])[H:11])([H:12])[H:13])([H:7])[H:8],"InChI=1S/C4H7NO/c5-4(6)3-1-2-3/h3H,1-2H2,(H2,5,6)","InChI=1S/C4H7NO/c5-3-1-2-4-6/h2H,1,3,5H2",61.91891,16.3128,
4537,[N:1]([C:2](=[O:3])[C:4]1([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])([H:7])[H:8],[H:7][H:9].[N:1](=[C:2]1\[O:3][C:4]12[C:5]([H:10])([H:11])[C:6]2([H:12])[H:13])\[H:8],"InChI=1S/C4H7NO/c5-4(6)3-1-2-3/h3H,1-2H2,(H2,5,6)","InChI=1S/C4H5NO.H2/c5-3-4(6-3)1-2-4;/h5H,1-2H2;1H/b5-3-;",93.39618,72.55627,
4538,[N:1]([C:2](=[O:3])[C:4]1([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])([H:7])[H:8],[C:2](#[O+:3])[C@:4]1([H:9])[C-:5]([H:10])[C:6]1([H:12])[H:13].[N:1]([H:7])([H:8])[H:11],"InChI=1S/C4H7NO/c5-4(6)3-1-2-3/h3H,1-2H2,(H2,5,6)","InChI=1S/C4H4O.H3N/c5-3-4-1-2-4;/h1,4H,2H2;1H3/t4-;/m1./s1",94.68874,82.77911999999999,
4539,[N:1]([C:2](=[O:3])[C:4]1([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])([H:7])[H:8],[N:1]([C+:2]([O:3][H:12])[C@:4]1([H:9])[C:5]([H:10])([H:11])[C-:6]1[H:13])([H:7])[H:8],"InChI=1S/C4H7NO/c5-4(6)3-1-2-3/h3H,1-2H2,(H2,5,6)","InChI=1S/C4H7NO/c5-4(6)3-1-2-3/h1,3,6H,2,5H2/t3-/m0/s1",92.95318,77.46236999999999,
4540,[N:1]([C:2](=[O:3])[C:4]1([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])([H:7])[H:8],[N:1]([C@:4]1([H:9])[C:2](=[O:3])[C:6]([H:12])([H:13])[C:5]1([H:10])[H:11])([H:7])[H:8],"InChI=1S/C4H7NO/c5-4(6)3-1-2-3/h3H,1-2H2,(H2,5,6)","InChI=1S/C4H7NO/c5-3-1-2-4(3)6/h3H,1-2,5H2/t3-/m0/s1",92.54988,17.669610000000002,
4541,[N:1]([C:2](=[O:3])[C:4]1([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])([H:7])[H:8],[N:1]([C:2]([O:3][H:9])=[C:4]1[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])([H:7])[H:8],"InChI=1S/C4H7NO/c5-4(6)3-1-2-3/h3H,1-2H2,(H2,5,6)","InChI=1S/C4H7NO/c5-4(6)3-1-2-3/h6H,1-2,5H2",65.43281,31.41072,ketoenol
4542,[N:1]([C:2](=[O:3])[C:4]1([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])([H:7])[H:8],[N:1]([C:2]([O-:3])=[C+:4][C:6]([C:5]([H:9])([H:10])[H:11])([H:12])[H:13])([H:7])[H:8],"InChI=1S/C4H7NO/c5-4(6)3-1-2-3/h3H,1-2H2,(H2,5,6)","InChI=1S/C4H7NO/c1-2-3-4(5)6/h2,5H2,1H3",66.24698000000001,61.53034,
4543,[N:1]([C:2](=[O:3])[C:4]1([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])([H:7])[H:8],[C:4]1([H:9])=[C:5]([H:11])[C:6]1([H:12])[H:13].[H:7][H:10].[N:1](=[C:2]=[O:3])[H:8],"InChI=1S/C4H7NO/c5-4(6)3-1-2-3/h3H,1-2H2,(H2,5,6)","InChI=1S/C3H4.CHNO.H2/c1-2-3-1;2-1-3;/h1-2H,3H2;2H;1H",96.37886,69.53444,
4544,[N:1]([C:2](=[O:3])[C:4]1([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])([H:7])[H:8],[C-:2]#[O+:3].[N:1]([C:6]([C:4](=[C:5]([H:10])[H:11])[H:9])([H:12])[H:13])([H:7])[H:8],"InChI=1S/C4H7NO/c5-4(6)3-1-2-3/h3H,1-2H2,(H2,5,6)","InChI=1S/C3H7N.CO/c1-2-3-4;1-2/h2H,1,3-4H2;",90.59249,24.420460000000002,
4545,[N:1]([C:2](=[O:3])[C:4]1([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])([H:7])[H:8],[C:5](=[C:6]([H:12])[H:13])([H:10])[H:11].[N:1]([C:4](=[C:2]=[O:3])[H:9])([H:7])[H:8],"InChI=1S/C4H7NO/c5-4(6)3-1-2-3/h3H,1-2H2,(H2,5,6)","InChI=1S/C2H3NO.C2H4/c3-1-2-4;1-2/h1H,3H2;1-2H2",81.56326,45.37547,
4546,[N:1]([C:2](=[O:3])[C:4]1([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])([H:7])[H:8],[C:4]1([H:7])([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13].[N:1](=[C:2]=[O:3])[H:8],"InChI=1S/C4H7NO/c5-4(6)3-1-2-3/h3H,1-2H2,(H2,5,6)",InChI=1S/C3H6.CHNO/c1-2-3-1;2-1-3/h1-3H2;2H,68.79105,15.063229999999999,
4547,[N:1]([C:2](=[O:3])[C:4]1([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])([H:7])[H:8],[N:1]([C:2](=[O:3])[C:6]([C:4](=[C:5]([H:10])[H:11])[H:9])([H:12])[H:13])([H:7])[H:8],"InChI=1S/C4H7NO/c5-4(6)3-1-2-3/h3H,1-2H2,(H2,5,6)","InChI=1S/C4H7NO/c1-2-3-4(5)6/h2H,1,3H2,(H2,5,6)",82.14151,-1.51872,
4548,[N:1]([C:2](=[O:3])[C:4]1([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])([H:7])[H:8],[N+:1]1([H:7])([H:8])[C:2](=[O:3])[C:6]([H:12])([H:13])[C:5]([H:10])([H:11])[C-:4]1[H:9],"InChI=1S/C4H7NO/c5-4(6)3-1-2-3/h3H,1-2H2,(H2,5,6)","InChI=1S/C4H7NO/c6-4-2-1-3-5-4/h3H,1-2,5H2",82.14683000000001,62.90106,
4549,[N:1]([C:2](=[O:3])[C:4]1([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])([H:7])[H:8],[N:1](=[C:2](/[O:3][H:8])[C:4]1([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])\[H:7],"InChI=1S/C4H7NO/c5-4(6)3-1-2-3/h3H,1-2H2,(H2,5,6)","InChI=1S/C4H7NO/c5-4(6)3-1-2-3/h3H,1-2H2,(H2,5,6)",40.18813,10.2829,ketoenol
4550,[N:1]([C:2](=[O:3])[C:4]1([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])([H:7])[H:8],[N:1]([C:2](=[O:3])[C:6]([C:5]([C:4][H:9])([H:10])[H:11])([H:12])[H:13])([H:7])[H:8],"InChI=1S/C4H7NO/c5-4(6)3-1-2-3/h3H,1-2H2,(H2,5,6)","InChI=1S/C4H7NO/c1-2-3-4(5)6/h1H,2-3H2,(H2,5,6)",82.1448,76.05982,
4551,[N:1]([C:2](=[O:3])[C:4]1([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])([H:7])[H:8],[C:2](=[O:3])=[C:4]1[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13].[N:1]([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c5-4(6)3-1-2-3/h3H,1-2H2,(H2,5,6)",InChI=1S/C4H4O.H3N/c5-3-4-1-2-4;/h1-2H2;1H3,71.23414,43.46582,"1,3_NH3_elimination"
4552,[N:1]([C:2](=[O:3])[C:4]1([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])([H:7])[H:8],[N:1]([C-:2]=[O+:3][C:4]1([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])([H:7])[H:8],"InChI=1S/C4H7NO/c5-4(6)3-1-2-3/h3H,1-2H2,(H2,5,6)","InChI=1S/C4H7NO/c5-3-6-4-1-2-4/h4H,1-2,5H2",104.00264,59.185480000000005,
4553,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4]([C:5]([H:15])([H:16])[H:17])([C:6]([H:18])([H:19])[H:20])[H:14])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2][C:4]([C:5]([H:15])([H:16])[H:17])([C:6]([H:18])([H:19])[H:20])[H:14])([H:7])([H:8])[H:9].[C:3]([H:10])([H:11])([H:12])[H:13],"InChI=1S/C6H14/c1-5(2)6(3)4/h5-6H,1-4H3","InChI=1S/C5H10.CH4/c1-4-5(2)3;/h5H,1-3H3;1H4",83.82943,91.92771,
4554,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4]([C:5]([H:15])([H:16])[H:17])([C:6]([H:18])([H:19])[H:20])[H:14])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:4]([C:5]([H:15])([H:16])[H:17])[C:6]([H:18])([H:19])[H:20])[H:10])([H:7])([H:8])[H:9].[C:3]([H:11])([H:12])([H:13])[H:14],"InChI=1S/C6H14/c1-5(2)6(3)4/h5-6H,1-4H3","InChI=1S/C5H10.CH4/c1-4-5(2)3;/h4H,1-3H3;1H4",88.27831,11.904160000000001,
4555,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4]([C:5]([H:15])([H:16])[H:17])([C:6]([H:18])([H:19])[H:20])[H:14])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]([H:11])[H:13])[H:10])([H:7])([H:8])[H:9].[C:4]([C:5]([H:15])([H:16])[H:17])(=[C:6]([H:19])[H:20])[H:14].[H:12][H:18],"InChI=1S/C6H14/c1-5(2)6(3)4/h5-6H,1-4H3","InChI=1S/2C3H6.H2/c2*1-3-2;/h2*3H,1H2,2H3;1H",76.35569,50.27425,
4556,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4]([C:5]([H:15])([H:16])[H:17])([C:6]([H:18])([H:19])[H:20])[H:14])[H:10])([H:7])([H:8])[H:9],[C:1](=[C:2]([C:3]([H:11])([H:12])[H:13])[C:4]([C:5]([H:15])([H:16])[H:17])([C:6]([H:18])([H:19])[H:20])[H:14])([H:7])[H:8].[H:9][H:10],"InChI=1S/C6H14/c1-5(2)6(3)4/h5-6H,1-4H3","InChI=1S/C6H12.H2/c1-5(2)6(3)4;/h6H,1H2,2-4H3;1H",103.51128,27.331590000000002,
4557,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]1([C:4]1([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])[H:11],[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]1=[C:4]([C:5]([C:6]([H:11])([H:15])[H:16])([H:13])[H:14])[H:12],"InChI=1S/C6H10/c1-2-5(1)6-3-4-6/h5-6H,1-4H2","InChI=1S/C6H10/c1-2-3-6-4-5-6/h3H,2,4-5H2,1H3",65.71956999999999,-1.63852,
4558,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]1([C:4]1([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])[H:11],[C:1]([C:2]([C:4]1([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:9])[H:10])([C:3][H:11])([H:7])[H:8],"InChI=1S/C6H10/c1-2-5(1)6-3-4-6/h5-6H,1-4H2","InChI=1S/C6H10/c1-2-3-6-4-5-6/h1,6H,2-5H2",91.76746,75.7512,
4559,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]1([C:4]1([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])[H:11],[C:1]1([H:8])=[C:3]([H:11])[C:2]1([H:9])[H:10].[C:4](=[C:5]([H:13])[H:14])([C:6]([H:7])([H:15])[H:16])[H:12],"InChI=1S/C6H10/c1-2-5(1)6-3-4-6/h5-6H,1-4H2","InChI=1S/C3H4.C3H6/c1-2-3-1;1-3-2/h1-2H,3H2;3H,1H2,2H3",75.62404000000001,38.316720000000004,
4560,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]1([C:4]1([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])[H:11],[C:1]([C:2]([H:9])([H:10])[H:11])([C:3][C:4]1([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:7])[H:8],"InChI=1S/C6H10/c1-2-5(1)6-3-4-6/h5-6H,1-4H2","InChI=1S/C6H10/c1-2-3-6-4-5-6/h6H,2,4-5H2,1H3",61.82528000000001,57.22325,
4561,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]1([C:4]1([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])[H:11],[C:1]1([H:7])([H:8])[C:2]([H:10])([H:14])[C:3]1([C:4]1([H:12])[C:5]([H:13])=[C:6]1[H:15])[H:11].[H:9][H:16],"InChI=1S/C6H10/c1-2-5(1)6-3-4-6/h5-6H,1-4H2","InChI=1S/C6H8.H2/c1-2-5(1)6-3-4-6;/h1-2,5-6H,3-4H2;1H",105.70522,53.10544,
4562,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]1([C:4]1([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])[H:11],[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]1([H:11])[H:12].[C:4]1[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16],"InChI=1S/C6H10/c1-2-5(1)6-3-4-6/h5-6H,1-4H2",InChI=1S/C3H6.C3H4/c2*1-2-3-1/h1-3H2;1-2H2,87.6935,97.19411,
4563,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]1([C:4]1([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])[H:11],[C:1](=[C:3]([C:2]([C:5]([C:4](=[C:6]([H:15])[H:16])[H:12])([H:13])[H:14])([H:9])[H:10])[H:11])([H:7])[H:8],"InChI=1S/C6H10/c1-2-5(1)6-3-4-6/h5-6H,1-4H2","InChI=1S/C6H10/c1-3-5-6-4-2/h3-4H,1-2,5-6H2",87.33073,-12.24446,
4564,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]1([C:4]1([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])[H:11],[C:1]1([H:7])([H:8])[C@:3]2([H:11])[C:2]([H:9])([H:10])[C@@:4]2([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16],"InChI=1S/C6H10/c1-2-5(1)6-3-4-6/h5-6H,1-4H2","InChI=1S/C6H10/c1-2-5-4-6(5)3-1/h5-6H,1-4H2/t5-,6-/m1/s1",93.44265,29.45069,
4565,[N:1]([C:2](=[O:3])[N:4]1[C:5]([H:9])([H:10])[C:6]1([H:11])[H:12])([H:7])[H:8],[C:5](=[C:6]([H:11])[H:12])([H:9])[H:10].[N:1]([N:4]=[C:2]=[O:3])([H:7])[H:8],"InChI=1S/C3H6N2O/c4-3(6)5-1-2-5/h1-2H2,(H2,4,6)",InChI=1S/C2H4.CH2N2O/c1-2;2-3-1-4/h1-2H2;2H2,59.20711,34.55985,
4566,[N:1]([C:2](=[O:3])[N:4]1[C:5]([H:9])([H:10])[C:6]1([H:11])[H:12])([H:7])[H:8],[N:1]([C:5]([C:6]([N:4]=[C:2]=[O:3])([H:11])[H:12])([H:9])[H:10])([H:7])[H:8],"InChI=1S/C3H6N2O/c4-3(6)5-1-2-5/h1-2H2,(H2,4,6)","InChI=1S/C3H6N2O/c4-1-2-5-3-6/h1-2,4H2",55.07994,-13.978639999999999,
4567,[N:1]([C:2](=[O:3])[N:4]1[C:5]([H:9])([H:10])[C:6]1([H:11])[H:12])([H:7])[H:8],[N:1](=[C:2](/[O:3][H:7])[N:4]1[C:5]([H:9])([H:10])[C:6]1([H:11])[H:12])\[H:8],"InChI=1S/C3H6N2O/c4-3(6)5-1-2-5/h1-2H2,(H2,4,6)","InChI=1S/C3H6N2O/c4-3(6)5-1-2-5/h1-2H2,(H2,4,6)",42.97994,12.253910000000001,ketoenol
4568,[N:1]([C:2](=[O:3])[N:4]1[C:5]([H:9])([H:10])[C:6]1([H:11])[H:12])([H:7])[H:8],[N:1](/[C:2]([O:3][H:12])=[N:4]/[C:6](=[C:5]([H:9])[H:10])[H:11])([H:7])[H:8],"InChI=1S/C3H6N2O/c4-3(6)5-1-2-5/h1-2H2,(H2,4,6)","InChI=1S/C3H6N2O/c1-2-5-3(4)6/h2H,1H2,(H3,4,5,6)",47.10617,-10.23875,
4569,[N:1]([C:2](=[O:3])[N:4]1[C:5]([H:9])([H:10])[C:6]1([H:11])[H:12])([H:7])[H:8],[N:1](=[C:2]=[O:3])[H:8].[N:4]1([H:7])[C:5]([H:9])([H:10])[C:6]1([H:11])[H:12],"InChI=1S/C3H6N2O/c4-3(6)5-1-2-5/h1-2H2,(H2,4,6)","InChI=1S/C2H5N.CHNO/c1-2-3-1;2-1-3/h3H,1-2H2;2H",36.201409999999996,15.4074,
4570,[N:1]([C:2](=[O:3])[N:4]1[C:5]([H:9])([H:10])[C:6]1([H:11])[H:12])([H:7])[H:8],[N:1]([C:2](=[O:3])[N+:4]([C-:5]([H:9])[H:10])=[C:6]([H:11])[H:12])([H:7])[H:8],"InChI=1S/C3H6N2O/c4-3(6)5-1-2-5/h1-2H2,(H2,4,6)","InChI=1S/C3H6N2O/c1-5(2)3(4)6/h1-2H2,(H2,4,6)",36.18058,25.34358,
4571,[N:1]([C:2](=[O:3])[N:4]1[C:5]([H:9])([H:10])[C:6]1([H:11])[H:12])([H:7])[H:8],[N:1]([C:2](=[O:3])[N+:4]1([H:12])[C:5]([H:9])([H:10])[C-:6]1[H:11])([H:7])[H:8],"InChI=1S/C3H6N2O/c4-3(6)5-1-2-5/h1-2H2,(H2,4,6)","InChI=1S/C3H6N2O/c4-3(6)5-1-2-5/h1,5H,2H2,(H2,4,6)",65.07122,58.671240000000004,
4572,[N:1]([C:2](=[O:3])[N:4]1[C:5]([H:9])([H:10])[C:6]1([H:11])[H:12])([H:7])[H:8],[N:1]([C:2](=[O:3])[C:6]([N:4]=[C:5]([H:9])[H:10])([H:11])[H:12])([H:7])[H:8],"InChI=1S/C3H6N2O/c4-3(6)5-1-2-5/h1-2H2,(H2,4,6)","InChI=1S/C3H6N2O/c1-5-2-3(4)6/h1-2H2,(H2,4,6)",72.12384,-10.45293,
4573,[N:1]([C:2](=[O:3])[N:4]1[C:5]([H:9])([H:10])[C:6]1([H:11])[H:12])([H:7])[H:8],[N:1]([C:2]1=[N+:4]([C-:6]([H:11])[H:12])[C:5]([H:9])([H:10])[O:3]1)([H:7])[H:8],"InChI=1S/C3H6N2O/c4-3(6)5-1-2-5/h1-2H2,(H2,4,6)","InChI=1S/C3H6N2O/c1-5-2-6-3(5)4/h1-2,4H2",75.68108000000001,68.47595,
4574,[N:1]([C:2](=[O:3])[N:4]1[C:5]([H:9])([H:10])[C:6]1([H:11])[H:12])([H:7])[H:8],[N:1]([C:2]1=[N:4][C:5]([H:9])([H:10])[C:6]([H:11])([H:12])[O:3]1)([H:7])[H:8],"InChI=1S/C3H6N2O/c4-3(6)5-1-2-5/h1-2H2,(H2,4,6)","InChI=1S/C3H6N2O/c4-3-5-1-2-6-3/h1-2H2,(H2,4,5)",40.10433,-8.52845,ketoenol
4575,[N:1]([C:2](=[O:3])[N:4]1[C:5]([H:9])([H:10])[C:6]1([H:11])[H:12])([H:7])[H:8],[H:7][H:10].[N:1](=[C:2]=[O:3])[H:8].[N:4]1=[C:5]([H:9])[C:6]1([H:11])[H:12],"InChI=1S/C3H6N2O/c4-3(6)5-1-2-5/h1-2H2,(H2,4,6)","InChI=1S/C2H3N.CHNO.H2/c1-2-3-1;2-1-3;/h1H,2H2;2H;1H",74.95484,50.05421,
4576,[N:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[O:4]/[C:5]1=[N:6]\[H:12])([H:7])[H:8],[C:3](=[O:4])([H:10])[H:11].[N:1]([C:2](=[C:5]=[N:6][H:12])[H:9])([H:7])[H:8],"InChI=1S/C3H6N2O/c4-2-1-6-3(2)5/h2,5H,1,4H2/b5-3-/t2-/m0/s1","InChI=1S/C2H4N2.CH2O/c3-1-2-4;1-2/h1,4H,3H2;1H2",43.585609999999996,30.352209999999996,2+2_cycloaddition
4577,[N:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[O:4]/[C:5]1=[N:6]\[H:12])([H:7])[H:8],[N:1]([C:2](/[C:5]([O+:4]=[C-:3][H:10])=[N:6]/[H:12])([H:9])[H:11])([H:7])[H:8],"InChI=1S/C3H6N2O/c4-2-1-6-3(2)5/h2,5H,1,4H2/b5-3-/t2-/m0/s1","InChI=1S/C3H6N2O/c1-6-3(5)2-4/h1,5H,2,4H2/b5-3-",65.88376,56.609519999999996,
4578,[N:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[O:4]/[C:5]1=[N:6]\[H:12])([H:7])[H:8],[N+:1]1([H:7])([H:8])[C-:2]([H:9])[C:3]([H:10])([H:11])[O:4]/[C:5]1=[N:6]\[H:12],"InChI=1S/C3H6N2O/c4-2-1-6-3(2)5/h2,5H,1,4H2/b5-3-/t2-/m0/s1","InChI=1S/C3H6N2O/c4-3-5-1-2-6-3/h1,4H,2,5H2/b4-3-",61.80424,51.15415,
4579,[N:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[O:4]/[C:5]1=[N:6]\[H:12])([H:7])[H:8],[C:5]=[N:6][H:12].[N:1]([C:2]([C:3](=[O:4])[H:11])([H:9])[H:10])([H:7])[H:8],"InChI=1S/C3H6N2O/c4-2-1-6-3(2)5/h2,5H,1,4H2/b5-3-/t2-/m0/s1","InChI=1S/C2H5NO.CHN/c3-1-2-4;1-2/h2H,1,3H2;2H",61.87113000000001,29.58744,
4580,[N:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[O:4]/[C:5]1=[N:6]\[H:12])([H:7])[H:8],[N:1]([C@@:2]1([H:9])[C-:3]([H:10])[O+:4]=[C:5]1[N:6]([H:11])[H:12])([H:7])[H:8],"InChI=1S/C3H6N2O/c4-2-1-6-3(2)5/h2,5H,1,4H2/b5-3-/t2-/m0/s1","InChI=1S/C3H6N2O/c4-2-1-6-3(2)5/h1-2H,4-5H2/t2-/m0/s1",90.69628,62.77186,
4581,[N:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[O:4]/[C:5]1=[N:6]\[H:12])([H:7])[H:8],[N:1]([C:2]/[C:5]([O:4][C:3]([H:9])([H:10])[H:11])=[N:6]/[H:12])([H:7])[H:8],"InChI=1S/C3H6N2O/c4-2-1-6-3(2)5/h2,5H,1,4H2/b5-3-/t2-/m0/s1","InChI=1S/C3H6N2O/c1-6-3(5)2-4/h5H,4H2,1H3/b5-3-",45.297340000000005,34.0869,
4582,[N:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[O:4]/[C:5]1=[N:6]\[H:12])([H:7])[H:8],[H:7][H:12].[N:1](=[C:2](\[C:3]([O:4][C:5]#[N:6])([H:10])[H:11])[H:9])\[H:8],"InChI=1S/C3H6N2O/c4-2-1-6-3(2)5/h2,5H,1,4H2/b5-3-/t2-/m0/s1","InChI=1S/C3H4N2O.H2/c4-1-2-6-3-5;/h1,4H,2H2;1H/b4-1-;",71.2442,32.51925,
4583,[N:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[O:4]/[C:5]1=[N:6]\[H:12])([H:7])[H:8],[N:1]([C@@:2]([C:3]([O:4][H:12])([H:10])[H:11])([C:5]#[N:6])[H:9])([H:7])[H:8],"InChI=1S/C3H6N2O/c4-2-1-6-3(2)5/h2,5H,1,4H2/b5-3-/t2-/m0/s1","InChI=1S/C3H6N2O/c4-1-3(5)2-6/h3,6H,2,5H2/t3-/m1/s1",58.78661999999999,-9.00483,
4584,[N:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[O:4]/[C:5]1=[N:6]\[H:12])([H:7])[H:8],[N:1]([C:2](=[C:3]([H:10])[H:11])[H:9])([H:7])[H:8].[O:4]=[C:5]=[N:6][H:12],"InChI=1S/C3H6N2O/c4-2-1-6-3(2)5/h2,5H,1,4H2/b5-3-/t2-/m0/s1","InChI=1S/C2H5N.CHNO/c1-2-3;2-1-3/h2H,1,3H2;2H",41.5204,-14.545779999999999,2+2_cycloaddition
4585,[N:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[O:4]/[C:5]1=[N:6]\[H:12])([H:7])[H:8],[H:8][H:10].[N:1]1([H:7])[C@@:2]2([H:9])[C@:3]1([H:11])[O:4]/[C:5]2=[N:6]\[H:12],"InChI=1S/C3H6N2O/c4-2-1-6-3(2)5/h2,5H,1,4H2/b5-3-/t2-/m0/s1","InChI=1S/C3H4N2O.H2/c4-2-1-3(5-1)6-2;/h1,3-5H;1H/b4-2-;/t1-,3+;/m1./s1",104.34335,47.03066,
4586,[N:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[O:4]/[C:5]1=[N:6]\[H:12])([H:7])[H:8],[C:5]=[N:6][H:12].[N:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[O:4]1)([H:7])[H:8],"InChI=1S/C3H6N2O/c4-2-1-6-3(2)5/h2,5H,1,4H2/b5-3-/t2-/m0/s1","InChI=1S/C2H5NO.CHN/c3-2-1-4-2;1-2/h2H,1,3H2;2H/t2-;/m1./s1",62.731609999999996,45.56681,
4587,[N:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[O:4]/[C:5]1=[N:6]\[H:12])([H:7])[H:8],[N+:1]([C-:2]1[C:3]([H:10])([H:11])[O:4][C:5]1=[N:6][H:12])([H:7])([H:8])[H:9],"InChI=1S/C3H6N2O/c4-2-1-6-3(2)5/h2,5H,1,4H2/b5-3-/t2-/m0/s1","InChI=1S/C3H6N2O/c4-2-1-6-3(2)5/h5H,1H2,4H3",71.85292,51.215579999999996,
4588,[N:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[O:4]/[C:5]1=[N:6]\[H:12])([H:7])[H:8],[N:1]([N:6]([C:5]1=[C:2]([H:9])[C:3]([H:10])([H:11])[O:4]1)[H:12])([H:7])[H:8],"InChI=1S/C3H6N2O/c4-2-1-6-3(2)5/h2,5H,1,4H2/b5-3-/t2-/m0/s1","InChI=1S/C3H6N2O/c4-5-3-1-2-6-3/h1,5H,2,4H2",88.47288,45.07647,
4589,[N:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[O:4]/[C:5]1=[N:6]\[H:12])([H:7])[H:8],[N:1]([C:2][C:3]([O:4]/[C:5](=[N:6]\[H:12])[H:9])([H:10])[H:11])([H:7])[H:8],"InChI=1S/C3H6N2O/c4-2-1-6-3(2)5/h2,5H,1,4H2/b5-3-/t2-/m0/s1","InChI=1S/C3H6N2O/c4-1-2-6-3-5/h3,5H,2,4H2/b5-3-",66.25562,40.55186,
4590,[N:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[O:4]/[C:5]1=[N:6]\[H:12])([H:7])[H:8],[C:2]1([H:9])=[C:3]([H:11])[O:4]/[C:5]1=[N:6]\[H:12].[N:1]([H:7])([H:8])[H:10],"InChI=1S/C3H6N2O/c4-2-1-6-3(2)5/h2,5H,1,4H2/b5-3-/t2-/m0/s1","InChI=1S/C3H3NO.H3N/c4-3-1-2-5-3;/h1-2,4H;1H3/b4-3-;",101.47233,25.82198,"1,3_NH3_elimination"
4591,[N:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[O:4]/[C:5]1=[N:6]\[H:12])([H:7])[H:8],[H:7][H:11].[N:1](=[C:2]([C:5](/[O+:4]=[C-:3][H:10])=[N:6]/[H:12])\[H:9])\[H:8],"InChI=1S/C3H6N2O/c4-2-1-6-3(2)5/h2,5H,1,4H2/b5-3-/t2-/m0/s1","InChI=1S/C3H4N2O.H2/c1-6-3(5)2-4;/h1-2,4-5H;1H/b4-2+,5-3-;",89.78822,85.58922,
4592,[C:1](#[C:2][H:5])[C:3]#[N:4],[C-:1]=[C:2]([N+:4]#[C:3])[H:5],InChI=1S/C3HN/c1-2-3-4/h1H,InChI=1S/C3HN/c1-3-4-2/h3H,96.68935,87.15196,
4593,[C:1](#[C:2][H:5])[C:3]#[N:4],[C:1]=[C:2]([C:3]#[N:4])[H:5],InChI=1S/C3HN/c1-2-3-4/h1H,InChI=1S/C3HN/c1-2-3-4/h2H,54.43424,56.748490000000004,Singlet_Carbene_Intra_Disproportionation
4594,[C:1](#[C:2][H:5])[C:3]#[N:4],[C:1](#[C:2][H:5])[N+:4]#[C-:3],InChI=1S/C3HN/c1-2-3-4/h1H,InChI=1S/C3HN/c1-3-4-2/h1H,62.21655,29.62224,
4595,[C:1](#[C:2][H:5])[C:3]#[N:4],[C:1](#[C-:2])[C+:3]=[N:4][H:5],InChI=1S/C3HN/c1-2-3-4/h1H,InChI=1S/C3HN/c1-2-3-4/h4H,105.83563000000001,47.25777,
4596,[C:1]([C:2]([C:3]([C:4]([H:12])([H:13])[H:14])([C:5]([H:15])([H:16])[H:17])[O:6][H:18])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3](=[C:4]([H:12])[H:14])[C:5]([H:15])([H:16])[H:17])([H:10])[H:11])([H:7])([H:8])[H:9].[O:6]([H:13])[H:18],"InChI=1S/C5H12O/c1-4-5(2,3)6/h6H,4H2,1-3H3","InChI=1S/C5H10.H2O/c1-4-5(2)3;/h2,4H2,1,3H3;1H2",56.17556999999999,13.589789999999999,"1,3_Insertion_ROR"
4597,[C:1]([C:2]([C:3]([C:4]([H:12])([H:13])[H:14])([C:5]([H:15])([H:16])[H:17])[O:6][H:18])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:5]([C:3]([C:4]([H:12])([H:13])[H:14])=[O:6])([H:15])[H:17])([H:10])[H:11])([H:7])([H:8])[H:9].[H:16][H:18],"InChI=1S/C5H12O/c1-4-5(2,3)6/h6H,4H2,1-3H3","InChI=1S/C5H10O.H2/c1-3-4-5(2)6;/h3-4H2,1-2H3;1H",86.89719000000001,17.47847,
4598,[C:1]([C:2]([C:3]([C:4]([H:12])([H:13])[H:14])([C:5]([H:15])([H:16])[H:17])[O:6][H:18])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([C:4]([C:5]([H:15])([H:16])[H:17])([H:12])[H:14])=[O:6])([H:10])[H:11])([H:7])([H:8])[H:9].[H:13][H:18],"InChI=1S/C5H12O/c1-4-5(2,3)6/h6H,4H2,1-3H3","InChI=1S/C5H10O.H2/c1-3-5(6)4-2;/h3-4H2,1-2H3;1H",87.44988000000001,15.95897,
4599,[C:1]([C:2]([C:3]([C:4]([H:12])([H:13])[H:14])([C:5]([H:15])([H:16])[H:17])[O:6][H:18])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:5]([H:15])([H:16])[H:17])([H:10])[H:11])([H:7])([H:8])[H:9].[C:3]([C:4]([H:12])([H:13])[H:14])[O:6][H:18],"InChI=1S/C5H12O/c1-4-5(2,3)6/h6H,4H2,1-3H3","InChI=1S/C3H8.C2H4O/c1-3-2;1-2-3/h3H2,1-2H3;3H,1H3",122.51276999999999,68.25653,
4600,[C:1]([C:2]([C:3]([C:4]([H:12])([H:13])[H:14])([C:5]([H:15])([H:16])[H:17])[O:6][H:18])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([O:6][H:18])([H:10])[H:11])([H:7])([H:8])[H:9].[C:3]([C:4]([H:12])([H:13])[H:14])[C:5]([H:15])([H:16])[H:17],"InChI=1S/C5H12O/c1-4-5(2,3)6/h6H,4H2,1-3H3","InChI=1S/C3H6.C2H6O/c1-3-2;1-2-3/h1-2H3;3H,2H2,1H3",107.65478,100.2898,
4601,[C:1]([C:2]([C:3]([C:4]([H:12])([H:13])[H:14])([C:5]([H:15])([H:16])[H:17])[O:6][H:18])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]([H:10])[H:11])([H:7])[H:8].[C:3](=[C:4]([H:12])[H:14])([C:5]([H:15])([H:16])[H:17])[O:6][H:18].[H:9][H:13],"InChI=1S/C5H12O/c1-4-5(2,3)6/h6H,4H2,1-3H3","InChI=1S/C3H6O.C2H4.H2/c1-3(2)4;1-2;/h4H,1H2,2H3;1-2H2;1H",76.74675,48.25649,
4602,[C:1]([C:2]([C:3]([C:4]([H:12])([H:13])[H:14])([C:5]([H:15])([H:16])[H:17])[O:6][H:18])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](/[C:2](=[C:3](/[C:4]([H:12])([H:13])[H:14])[O:6][H:18])[H:11])([H:7])([H:8])[H:9].[C:5]([H:10])([H:15])([H:16])[H:17],"InChI=1S/C5H12O/c1-4-5(2,3)6/h6H,4H2,1-3H3","InChI=1S/C4H8O.CH4/c1-3-4(2)5;/h3,5H,1-2H3;1H4/b4-3-;",95.43798000000001,10.33253,
4603,[C:1]([C:2]([C:3]([C:4]([H:12])([H:13])[H:14])([C:5]([H:15])([H:16])[H:17])[O:6][H:18])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]1([C:4]([H:12])([H:13])[H:14])[C:5]([H:15])([H:16])[H:17].[O:6]([H:7])[H:18],"InChI=1S/C5H12O/c1-4-5(2,3)6/h6H,4H2,1-3H3","InChI=1S/C5H10.H2O/c1-5(2)3-4-5;/h3-4H2,1-2H3;1H2",81.6129,20.64785,
4604,[C:1]([C:2]([C:3]([C:4]([H:12])([H:13])[H:14])([C:5]([H:15])([H:16])[H:17])[O:6][H:18])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:6][H:18])([H:7])([H:8])[H:9].[C:2](=[C:3]([C:4]([H:12])([H:13])[H:14])[C:5]([H:15])([H:16])[H:17])([H:10])[H:11],"InChI=1S/C5H12O/c1-4-5(2,3)6/h6H,4H2,1-3H3","InChI=1S/C4H8.CH4O/c1-4(2)3;1-2/h1H2,2-3H3;2H,1H3",96.84071999999999,25.49847,"1,3_Insertion_ROR"
4605,[C:1]([C:2]([C:3]([C:4]([H:12])([H:13])[H:14])([C:5]([H:15])([H:16])[H:17])[O:6][H:18])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]([H:10])[H:11])([H:7])[H:8].[C:3]([C:4]([H:12])([H:13])[H:14])([C:5]([H:15])([H:16])[H:17])=[O:6].[H:9][H:18],"InChI=1S/C5H12O/c1-4-5(2,3)6/h6H,4H2,1-3H3",InChI=1S/C3H6O.C2H4.H2/c1-3(2)4;1-2;/h1-2H3;1-2H2;1H,62.567190000000004,39.50257,
4606,[C:1]([C:2]([C:3]([C:4]([H:12])([H:13])[H:14])([C:5]([H:15])([H:16])[H:17])[O:6][H:18])([H:10])[H:11])([H:7])([H:8])[H:9],[C-:1]([C:2]([C+:3]([C:4]([H:12])([H:13])[H:14])[O:6][H:18])([H:10])[H:11])([H:7])[H:8].[C:5]([H:9])([H:15])([H:16])[H:17],"InChI=1S/C5H12O/c1-4-5(2,3)6/h6H,4H2,1-3H3","InChI=1S/C4H8O.CH4/c1-3-4(2)5;/h5H,1,3H2,2H3;1H4",87.39344,90.02036,
4607,[C:1]([C:2]([C:3]([C:4]([H:12])([H:13])[H:14])([C:5]([H:15])([H:16])[H:17])[O:6][H:18])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:18].[C:2]([C:3]([C:5]([H:15])([H:16])[H:17])=[O:6])([C:4]([H:12])([H:13])[H:14])([H:10])[H:11],"InChI=1S/C5H12O/c1-4-5(2,3)6/h6H,4H2,1-3H3","InChI=1S/C4H8O.CH4/c1-3-4(2)5;/h3H2,1-2H3;1H4",83.75448,3.89224,
4608,[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([C:4]([O:5][H:15])([H:13])[H:14])[H:9])([H:6])([H:7])[H:8],[C:1]([C:2](=[C:3]([H:10])[H:11])[H:9])([H:6])([H:7])[H:8].[C:4]([O:5][H:12])([H:13])([H:14])[H:15],"InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3","InChI=1S/C3H6.CH4O/c1-3-2;1-2/h3H,1H2,2H3;2H,1H3",91.33308000000001,23.423070000000003,"1,3_Insertion_ROR"
4609,[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([C:4]([O:5][H:15])([H:13])[H:14])[H:9])([H:6])([H:7])[H:8],[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([C:4](=[O:5])[H:13])[H:9])([H:6])([H:7])[H:8].[H:14][H:15],"InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3","InChI=1S/C4H8O.H2/c1-4(2)3-5;/h3-4H,1-2H3;1H",78.3175,17.40041,
4610,[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([C:4]([O:5][H:15])([H:13])[H:14])[H:9])([H:6])([H:7])[H:8],[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([H:9])[H:14])([H:6])([H:7])[H:8].[C:4]([O:5][H:15])[H:13],"InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3","InChI=1S/C3H8.CH2O/c1-3-2;1-2/h3H2,1-2H3;1-2H",69.98743,71.40044,
4611,[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([C:4]([O:5][H:15])([H:13])[H:14])[H:9])([H:6])([H:7])[H:8],[C:1]1([H:6])([H:7])[C:2]([C:3]([H:10])([H:11])[H:12])([H:9])[C:4]1([H:13])[H:14].[O:5]([H:8])[H:15],"InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3","InChI=1S/C4H8.H2O/c1-4-2-3-4;/h4H,2-3H2,1H3;1H2",86.40584,17.38993,
4612,[C:1]1([H:6])([H:7])[C@@:2]2([H:8])[C:3]([H:9])([H:10])[C@:4]1([H:11])[O:5]2,[C:1]([C@:4]1([H:11])[C:3]([H:9])([H:10])[C-:2]=[O+:5]1)([H:6])([H:7])[H:8],"InChI=1S/C4H6O/c1-3-2-4(1)5-3/h3-4H,1-2H2/t3-,4+","InChI=1S/C4H6O/c1-4-2-3-5-4/h4H,2H2,1H3/t4-/m1/s1",55.73599,8.76003,
4613,[C:1]1([H:6])([H:7])[C@@:2]2([H:8])[C:3]([H:9])([H:10])[C@:4]1([H:11])[O:5]2,[C:1]1([H:6])([H:7])[C@:2]([C:3]([C:4][H:11])([H:9])[H:10])([H:8])[O:5]1,"InChI=1S/C4H6O/c1-3-2-4(1)5-3/h3-4H,1-2H2/t3-,4+","InChI=1S/C4H6O/c1-2-4-3-5-4/h1,4H,2-3H2/t4-/m1/s1",77.24758,60.10831999999999,
4614,[C:1]1([H:6])([H:7])[C@@:2]2([H:8])[C:3]([H:9])([H:10])[C@:4]1([H:11])[O:5]2,[C:1](=[C:2]([C:3]([C:4](=[O:5])[H:11])([H:9])[H:10])[H:8])([H:6])[H:7],"InChI=1S/C4H6O/c1-3-2-4(1)5-3/h3-4H,1-2H2/t3-,4+","InChI=1S/C4H6O/c1-2-3-4-5/h2,4H,1,3H2",30.615779999999997,-49.06273,
4615,[C:1]1([H:6])([H:7])[C@@:2]2([H:8])[C:3]([H:9])([H:10])[C@:4]1([H:11])[O:5]2,[C:1]1([H:6])([H:7])[C:2]([H:8])=[C:3]([H:10])[C@@:4]1([O:5][H:9])[H:11],"InChI=1S/C4H6O/c1-3-2-4(1)5-3/h3-4H,1-2H2/t3-,4+","InChI=1S/C4H6O/c5-4-2-1-3-4/h1-2,4-5H,3H2/t4-/m0/s1",64.45413,-31.778609999999997,
4616,[O:1]([C:2]1([H:8])[C:3]([H:9])([H:10])[C:4](=[O:5])[C:6]1([H:11])[H:12])[H:7],[O:1]([C@@:2]1([H:8])[C@:3]([C:4](=[O:5])[H:9])([H:10])[C:6]1([H:11])[H:12])[H:7],"InChI=1S/C4H6O2/c5-3-1-4(6)2-3/h3,5H,1-2H2","InChI=1S/C4H6O2/c5-2-3-1-4(3)6/h2-4,6H,1H2/t3-,4-/m1/s1",69.61511999999999,7.83811,
4617,[O:1]([C:2]1([H:8])[C:3]([H:9])([H:10])[C:4](=[O:5])[C:6]1([H:11])[H:12])[H:7],[C:2]1([H:8])=[C:3]([H:10])[C:4](=[O:5])[C:6]1([H:11])[H:12].[O:1]([H:7])[H:9],"InChI=1S/C4H6O2/c5-3-1-4(6)2-3/h3,5H,1-2H2","InChI=1S/C4H4O.H2O/c5-4-2-1-3-4;/h1-2H,3H2;1H2",51.68334,14.513520000000002,"1,3_Insertion_ROR"
4618,[O:1]([C:2]1([H:8])[C:3]([H:9])([H:10])[C:4](=[O:5])[C:6]1([H:11])[H:12])[H:7],[O:1]([C@@:2]([C:3](=[C:4]=[O:5])[H:10])([C:6]([H:9])([H:11])[H:12])[H:8])[H:7],"InChI=1S/C4H6O2/c5-3-1-4(6)2-3/h3,5H,1-2H2","InChI=1S/C4H6O2/c1-4(6)2-3-5/h2,4,6H,1H3/t4-/m1/s1",69.59185,-1.29233,
4619,[O:1]([C:2]1([H:8])[C:3]([H:9])([H:10])[C:4](=[O:5])[C:6]1([H:11])[H:12])[H:7],[C:3](=[C:4]=[O:5])([H:9])[H:10].[O:1]([C:2](=[C:6]([H:11])[H:12])[H:8])[H:7],"InChI=1S/C4H6O2/c5-3-1-4(6)2-3/h3,5H,1-2H2","InChI=1S/C2H4O.C2H2O/c2*1-2-3/h2-3H,1H2;1H2",30.1918,13.489329999999999,
4620,[O:1]([C:2]1([H:8])[C:3]([H:9])([H:10])[C:4](=[O:5])[C:6]1([H:11])[H:12])[H:7],[H:7][H:8].[O:1]=[C:2]1[C:3]([H:9])([H:10])[C:4](=[O:5])[C:6]1([H:11])[H:12],"InChI=1S/C4H6O2/c5-3-1-4(6)2-3/h3,5H,1-2H2",InChI=1S/C4H4O2.H2/c5-3-1-4(6)2-3;/h1-2H2;1H,80.8767,15.91857,
4621,[O:1]([C:2]1([H:8])[C:3]([H:9])([H:10])[C:4](=[O:5])[C:6]1([H:11])[H:12])[H:7],[O:1]([C:4]([C:3]([C:2](=[C:6]([H:11])[H:12])[H:8])([H:9])[H:10])=[O:5])[H:7],"InChI=1S/C4H6O2/c5-3-1-4(6)2-3/h3,5H,1-2H2","InChI=1S/C4H6O2/c1-2-3-4(5)6/h2H,1,3H2,(H,5,6)",56.692930000000004,-23.47805,
4622,[O:1]([C:2]1([H:8])[C:3]([H:9])([H:10])[C:4](=[O:5])[C:6]1([H:11])[H:12])[H:7],[O:1]([C-:2]1[C:3]([H:9])([H:10])[C+:4]([O:5][H:8])[C:6]1([H:11])[H:12])[H:7],"InChI=1S/C4H6O2/c5-3-1-4(6)2-3/h3,5H,1-2H2","InChI=1S/C4H6O2/c5-3-1-4(6)2-3/h5-6H,1-2H2",79.20838,70.2536,
4623,[O:1]([C:2]1([H:8])[C:3]([H:9])([H:10])[C:4](=[O:5])[C:6]1([H:11])[H:12])[H:7],[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([O:5][H:11])=[C:6]1[H:12])[H:7],"InChI=1S/C4H6O2/c5-3-1-4(6)2-3/h3,5H,1-2H2","InChI=1S/C4H6O2/c5-3-1-4(6)2-3/h1,3,5-6H,2H2/t3-/m1/s1",75.10582,12.66093,ketoenol
4624,[O:1]([C:2]1([H:8])[C:3]([H:9])([H:10])[C:4](=[O:5])[C:6]1([H:11])[H:12])[H:7],[H:8][H:11].[O:1]([C:2]1=[C:6]([H:12])[C:4](=[O:5])[C:3]1([H:9])[H:10])[H:7],"InChI=1S/C4H6O2/c5-3-1-4(6)2-3/h3,5H,1-2H2","InChI=1S/C4H4O2.H2/c5-3-1-4(6)2-3;/h1,5H,2H2;1H",86.4609,18.797620000000002,
4625,[O:1]([C:2]1([H:8])[C:3]([H:9])([H:10])[C:4](=[O:5])[C:6]1([H:11])[H:12])[H:7],[O:1]([C:2]([C:3]([C:4]([O-:5])=[C+:6][H:12])([H:9])[H:10])([H:8])[H:11])[H:7],"InChI=1S/C4H6O2/c5-3-1-4(6)2-3/h3,5H,1-2H2","InChI=1S/C4H6O2/c1-4(6)2-3-5/h1,5H,2-3H2",67.69118,52.53004,
4626,[O:1]([C:2]1([H:8])[C:3]([H:9])([H:10])[C:4](=[O:5])[C:6]1([H:11])[H:12])[H:7],[O:1]=[C:2]([C:3]([C:4]([O:5][H:7])=[C:6]([H:11])[H:12])([H:9])[H:10])[H:8],"InChI=1S/C4H6O2/c5-3-1-4(6)2-3/h3,5H,1-2H2","InChI=1S/C4H6O2/c1-4(6)2-3-5/h3,6H,1-2H2",24.76959,-6.43899,
4627,[O:1]([C:2]1([H:8])[C:3]([H:9])([H:10])[C:4](=[O:5])[C:6]1([H:11])[H:12])[H:7],[C:3]1([H:9])([H:10])[C:4](=[O:5])[C:6]1([H:11])[H:12].[O:1]([C:2][H:8])[H:7],"InChI=1S/C4H6O2/c5-3-1-4(6)2-3/h3,5H,1-2H2",InChI=1S/C3H4O.CH2O/c4-3-1-2-3;1-2/h1-2H2;1-2H,104.07092,95.86941999999999,
4628,[c:1]1([H:7])[n:2][n:3][n:4][n:5][c:6]1[H:8],[C:1](#[N:2])[H:7].[N:3]#[N:4].[N:5]#[C:6][H:8],InChI=1S/C2H2N4/c1-2-4-6-5-3-1/h1-2H,InChI=1S/2CHN.N2/c3*1-2/h2*1H;,13.265970000000001,-61.17575,
4629,[c:1]1([H:7])[n:2][n:3][n:4][n:5][c:6]1[H:8],[C@@:1]1([N:2]=[N+:3]=[N-:4])([H:7])[N:5]=[C:6]1[H:8],InChI=1S/C2H2N4/c1-2-4-6-5-3-1/h1-2H,InChI=1S/C2H2N4/c3-6-5-2-1-4-2/h1-2H/t2-/m0/s1,39.855059999999995,12.26576,
4630,[c:1]1([H:7])[n:2][n:3][n:4][n:5][c:6]1[H:8],[C:1]([N:2]=[N-:3])(=[C:6]([N+:5]#[N:4])[H:8])[H:7],InChI=1S/C2H2N4/c1-2-4-6-5-3-1/h1-2H,InChI=1S/C2H2N4/c3-5-1-2-6-4/h1-2H,9.490689999999999,-8.360430000000001,
4631,[c:1]1([H:7])[n:2][n:3][n:4][n:5][c:6]1[H:8],[C:1]1([H:7])=[C:6]=[N+:5]([H:8])[N-:4][N:3]=[N:2]1,InChI=1S/C2H2N4/c1-2-4-6-5-3-1/h1-2H,"InChI=1S/C2H2N4/c1-2-4-6-5-3-1/h1,4H",78.97598,27.477829999999997,
4632,[c:1]1([H:7])[n:2][n:3][n:4][n:5][c:6]1[H:8],[C+:1](=[N:2][H:7])/[C:6](=[N:5]\[N:4]=[N-:3])[H:8],InChI=1S/C2H2N4/c1-2-4-6-5-3-1/h1-2H,InChI=1S/C2H2N4/c3-1-2-5-6-4/h2-3H/b5-2-,78.97802,-6.10845,
4633,[c:1]1([H:7])[n:2][n:3][n:4][n:5][c:6]1[H:8],[C-:1]([N+:5]#[N:4])([C:6][H:8])[H:7].[N:2]#[N:3],InChI=1S/C2H2N4/c1-2-4-6-5-3-1/h1-2H,InChI=1S/C2H2N2.N2/c1-2-4-3;1-2/h1-2H;,42.406909999999996,4.13454,
4634,[c:1]1([H:7])[n:2][n:3][n:4][n:5][c:6]1[H:8],[C:1](=[C:6]=[N+:5]=[N:4]\[N:3]=[N-:2])([H:7])[H:8],InChI=1S/C2H2N4/c1-2-4-6-5-3-1/h1-2H,InChI=1S/C2H2N4/c1-2-4-6-5-3/h1H2,83.44204,18.14041,
4635,[c:1]1([H:7])[n:2][n:3][n:4][n:5][c:6]1[H:8],[C:1]1=[N:2][N:3]=[N+:4]([H:7])[N-:5][C:6]=1[H:8],InChI=1S/C2H2N4/c1-2-4-6-5-3-1/h1-2H,"InChI=1S/C2H2N4/c1-2-4-6-5-3-1/h1,5H",93.18961,41.36252,
4636,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]1([C:5]#[C:6][H:14])[H:13])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])=[C:5]=[C:6]1[H:14])([H:7])([H:8])[H:9],"InChI=1S/C6H8/c1-3-6-4-5(6)2/h1,5-6H,4H2,2H3/t5-,6+/m0/s1","InChI=1S/C6H8/c1-6-4-2-3-5-6/h2,5-6H,4H2,1H3/t6-/m0/s1",70.65638,26.28442,
4637,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]1([C:5]#[C:6][H:14])[H:13])([H:7])([H:8])[H:9],[C:1](/[C:2](=[C:3](\[C:4](=[C:5]=[C:6]([H:11])[H:14])[H:13])[H:12])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C6H8/c1-3-6-4-5(6)2/h1,5-6H,4H2,2H3/t5-,6+/m0/s1","InChI=1S/C6H8/c1-3-5-6-4-2/h4-6H,1H2,2H3/b6-4-",83.55901,-13.66295,
4638,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]1([C:5]#[C:6][H:14])[H:13])([H:7])([H:8])[H:9],[C:1](=[C:2]([C:3]([C:4](=[C:5]=[C:6]([H:8])[H:14])[H:13])([H:11])[H:12])[H:10])([H:7])[H:9],"InChI=1S/C6H8/c1-3-6-4-5(6)2/h1,5-6H,4H2,2H3/t5-,6+/m0/s1","InChI=1S/C6H8/c1-3-5-6-4-2/h3,6H,1-2,5H2",28.607,-7.926539999999999,
4639,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]1([C:5]#[C:6][H:14])[H:13])([H:7])([H:8])[H:9],[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C:3]([H:11])([H:12])[C@@:4]2([H:13])[C:5][C:6]1([H:7])[H:14],"InChI=1S/C6H8/c1-3-6-4-5(6)2/h1,5-6H,4H2,2H3/t5-,6+/m0/s1","InChI=1S/C6H8/c1-2-5-4-6(5)3-1/h5-6H,1-2,4H2/t5-,6+/m0/s1",71.84835,40.17585,
4640,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]1([C:5]#[C:6][H:14])[H:13])([H:7])([H:8])[H:9],[C:1]([C@@:4]([C:3]([C:2][H:10])([H:11])[H:12])([C:5]#[C:6][H:14])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C6H8/c1-3-6-4-5(6)2/h1,5-6H,4H2,2H3/t5-,6+/m0/s1","InChI=1S/C6H8/c1-4-6(3)5-2/h1-2,6H,4H2,3H3/t6-/m0/s1",99.4694,79.07215,
4641,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]1([C:5]#[C:6][H:14])[H:13])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C-:4]=[C:5]=[C+:6][H:14])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C6H8/c1-3-6-4-5(6)2/h1,5-6H,4H2,2H3/t5-,6+/m0/s1","InChI=1S/C6H8/c1-4-5-6(2)3/h1,6H,2-3H3",60.877340000000004,52.81834,
4642,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]1([C:5]#[C:6][H:14])[H:13])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])/[C:4]1=[C:5](\[C:6][H:14])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C6H8/c1-3-6-4-5(6)2/h1,5-6H,4H2,2H3/t5-,6+/m0/s1","InChI=1S/C6H8/c1-3-6-4-5(6)2/h1,3,5H,4H2,2H3/b6-3+/t5-/m0/s1",74.62094,67.69194,
4643,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]1([C:5]#[C:6][H:14])[H:13])([H:7])([H:8])[H:9],[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])=[C:5]=[C:6]1[H:14],"InChI=1S/C6H8/c1-3-6-4-5(6)2/h1,5-6H,4H2,2H3/t5-,6+/m0/s1","InChI=1S/C6H8/c1-2-4-6-5-3-1/h1,5H,2,4,6H2",66.16954,1.24035,
4644,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]1([C:5]#[C:6][H:14])[H:13])([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:12].[C:2]1([H:10])=[C:3]([H:11])[C:4]1([C:5]#[C:6][H:14])[H:13],"InChI=1S/C6H8/c1-3-6-4-5(6)2/h1,5-6H,4H2,2H3/t5-,6+/m0/s1","InChI=1S/C5H4.CH4/c1-2-5-3-4-5;/h1,3-5H;1H4",99.93046,42.87477,
4645,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]1([C:5]#[C:6][H:14])[H:13])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]1=[C:5]=[C:6]([H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C6H8/c1-3-6-4-5(6)2/h1,5-6H,4H2,2H3/t5-,6+/m0/s1","InChI=1S/C6H8/c1-3-6-4-5(6)2/h5H,1,4H2,2H3/t5-/m0/s1",89.6579,1.19133,
4646,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]1([C:5]#[C:6][H:14])[H:13])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:5](=[C-:6][H:14])[C+:4]1[H:13])([H:7])([H:8])[H:9],"InChI=1S/C6H8/c1-3-6-4-5(6)2/h1,5-6H,4H2,2H3/t5-,6+/m0/s1","InChI=1S/C6H8/c1-5-3-6(2)4-5/h1,3,6H,4H2,2H3/t6-/m1/s1",60.291430000000005,59.82101,
4647,[C:1]([O:2]/[C:3](=[N:4]/[C:5]([H:10])([H:11])[H:12])[C:6]([H:13])([H:14])[H:15])([H:7])([H:8])[H:9],[C:1]([O:2][H:15])([H:7])([H:8])[H:9].[C:3](=[N:4][C:5]([H:10])([H:11])[H:12])=[C:6]([H:13])[H:14],InChI=1S/C4H9NO/c1-4(5-2)6-3/h1-3H3/b5-4+,"InChI=1S/C3H5N.CH4O/c1-3-4-2;1-2/h1H2,2H3;2H,1H3",70.00994,31.864140000000003,
4648,[C:1]([O:2]/[C:3](=[N:4]/[C:5]([H:10])([H:11])[H:12])[C:6]([H:13])([H:14])[H:15])([H:7])([H:8])[H:9],[C:1]([O+:2]=[C:3]([N:4]([C-:5]([H:10])[H:11])[H:12])[C:6]([H:13])([H:14])[H:15])([H:7])([H:8])[H:9],InChI=1S/C4H9NO/c1-4(5-2)6-3/h1-3H3/b5-4+,"InChI=1S/C4H9NO/c1-4(5-2)6-3/h5H,2H2,1,3H3",72.57545999999999,47.8966,
4649,[C:1]([O:2]/[C:3](=[N:4]/[C:5]([H:10])([H:11])[H:12])[C:6]([H:13])([H:14])[H:15])([H:7])([H:8])[H:9],[C:1]([O:2][N:4]=[C:3]([C:5]([H:10])([H:11])[H:12])[C:6]([H:13])([H:14])[H:15])([H:7])([H:8])[H:9],InChI=1S/C4H9NO/c1-4(5-2)6-3/h1-3H3/b5-4+,InChI=1S/C4H9NO/c1-4(2)5-6-3/h1-3H3,102.21308,27.75988,
4650,[C:1]([O:2]/[C:3](=[N:4]/[C:5]([H:10])([H:11])[H:12])[C:6]([H:13])([H:14])[H:15])([H:7])([H:8])[H:9],[C:1]([O:2][C:3]([N:4]([C:5]([H:10])([H:11])[H:12])[H:15])=[C:6]([H:13])[H:14])([H:7])([H:8])[H:9],InChI=1S/C4H9NO/c1-4(5-2)6-3/h1-3H3/b5-4+,"InChI=1S/C4H9NO/c1-4(5-2)6-3/h5H,1H2,2-3H3",63.024930000000005,15.58359,
4651,[C:1]([O:2]/[C:3](=[N:4]/[C:5]([H:10])([H:11])[H:12])[C:6]([H:13])([H:14])[H:15])([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:15].[O:2]=[C:3]1[N:4]([C:5]([H:10])([H:11])[H:12])[C:6]1([H:13])[H:14],InChI=1S/C4H9NO/c1-4(5-2)6-3/h1-3H3/b5-4+,"InChI=1S/C3H5NO.CH4/c1-4-2-3(4)5;/h2H2,1H3;1H4",79.42557,25.55094,
4652,[C:1]([O:2]/[C:3](=[N:4]/[C:5]([H:10])([H:11])[H:12])[C:6]([H:13])([H:14])[H:15])([H:7])([H:8])[H:9],[C:1]([O:2][C:3]([N:4]=[C:5]([H:10])[H:11])=[C:6]([H:13])[H:14])([H:7])([H:8])[H:9].[H:12][H:15],InChI=1S/C4H9NO/c1-4(5-2)6-3/h1-3H3/b5-4+,"InChI=1S/C4H7NO.H2/c1-4(5-2)6-3;/h1-2H2,3H3;1H",56.01158,40.35051,
4653,[C:1]([O:2]/[C:3](=[N:4]/[C:5]([H:10])([H:11])[H:12])[C:6]([H:13])([H:14])[H:15])([H:7])([H:8])[H:9],[C:1]([N:4]([C:3](=[O:2])[C:6]([H:13])([H:14])[H:15])[C:5]([H:10])([H:11])[H:12])([H:7])([H:8])[H:9],InChI=1S/C4H9NO/c1-4(5-2)6-3/h1-3H3/b5-4+,InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3,43.136390000000006,-15.29486,ketoenol
4654,[C:1]([O:2]/[C:3](=[N:4]/[C:5]([H:10])([H:11])[H:12])[C:6]([H:13])([H:14])[H:15])([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:12].[O:2]=[C:3]([N:4]=[C:5]([H:10])[H:11])[C:6]([H:13])([H:14])[H:15],InChI=1S/C4H9NO/c1-4(5-2)6-3/h1-3H3/b5-4+,"InChI=1S/C3H5NO.CH4/c1-3(5)4-2;/h2H2,1H3;1H4",56.87809,0.5667,
4655,[C:1]([O:2]/[C:3](=[N:4]/[C:5]([H:10])([H:11])[H:12])[C:6]([H:13])([H:14])[H:15])([H:7])([H:8])[H:9],[C:1]([O:2][C:5]([H:10])([H:11])[H:12])([H:7])([H:8])[H:9].[C:3](#[N:4])[C:6]([H:13])([H:14])[H:15],InChI=1S/C4H9NO/c1-4(5-2)6-3/h1-3H3/b5-4+,InChI=1S/C2H3N.C2H6O/c1-2-3;1-3-2/h1H3;1-2H3,81.8837,14.75035,
4656,[C:1]([O:2][C:3]([C:4](=[O:5])[N:6]([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:2][C:3](/[C:4]([O:5][H:12])=[N:6]\[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C3H7NO2/c1-6-2-3(4)5/h2H2,1H3,(H2,4,5)","InChI=1S/C3H7NO2/c1-6-2-3(4)5/h2H2,1H3,(H2,4,5)",42.09581,9.99703,ketoenol
4657,[C:1]([O:2][C:3]([C:4](=[O:5])[N:6]([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O+:2]=[C-:3][H:10])([H:7])([H:8])[H:9].[C:4](=[O:5])([N:6]([H:12])[H:13])[H:11],"InChI=1S/C3H7NO2/c1-6-2-3(4)5/h2H2,1H3,(H2,4,5)","InChI=1S/C2H4O.CH3NO/c1-3-2;2-1-3/h1H,2H3;1H,(H2,2,3)",78.43054000000001,75.31067,
4658,[C:1]([O:2][C:3]([C:4](=[O:5])[N:6]([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:2]/[C:3](=[C:4](/[O:5][H:11])[N:6]([H:12])[H:13])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C3H7NO2/c1-6-2-3(4)5/h2H2,1H3,(H2,4,5)","InChI=1S/C3H7NO2/c1-6-2-3(4)5/h2,5H,4H2,1H3/b3-2+",61.95381,23.37169,ketoenol
4659,[C:1]([O:2][C:3]([C:4](=[O:5])[N:6]([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:2][C@:3]1([H:10])/[C:4](=[N:6]/[H:12])[O:5]1)([H:7])([H:8])[H:9].[H:11][H:13],"InChI=1S/C3H7NO2/c1-6-2-3(4)5/h2H2,1H3,(H2,4,5)","InChI=1S/C3H5NO2.H2/c1-5-3-2(4)6-3;/h3-4H,1H3;1H/b4-2-;/t3-;/m0./s1",76.06858000000001,58.77255,
4660,[C:1]([O:2][C:3]([C:4](=[O:5])[N:6]([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:2][C:3](=[C:4]([O-:5])[N+:6]([H:11])([H:12])[H:13])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C3H7NO2/c1-6-2-3(4)5/h2H2,1H3,(H2,4,5)","InChI=1S/C3H7NO2/c1-6-2-3(4)5/h2,5H,4H2,1H3",74.55778000000001,37.80741,
4661,[C:1]([O:2][C:3]([C:4](=[O:5])[N:6]([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:2][C:3]([H:10])([H:11])[H:13])([H:7])([H:8])[H:9].[C:4](=[O:5])=[N:6][H:12],"InChI=1S/C3H7NO2/c1-6-2-3(4)5/h2H2,1H3,(H2,4,5)",InChI=1S/C2H6O.CHNO/c1-3-2;2-1-3/h1-2H3;2H,77.30268000000001,12.9913,
4662,[C:1]([O:2][C:3]([C:4](=[O:5])[N:6]([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C-:1]([O+:2]=[C:3]([H:10])[H:11])([H:7])[H:8].[C:4](=[O:5])=[N:6][H:13].[H:9][H:12],"InChI=1S/C3H7NO2/c1-6-2-3(4)5/h2H2,1H3,(H2,4,5)",InChI=1S/C2H4O.CHNO.H2/c1-3-2;2-1-3;/h1-2H2;2H;1H,85.20326999999999,85.95031,
4663,[O:1]([C@@:2]1([H:7])[C:3]([H:8])([H:9])[C@:4]1([O:5][H:11])[H:10])[H:6],[C:4]([O:5][H:11])[H:10].[O:1]([C:2](=[C:3]([H:8])[H:9])[H:7])[H:6],"InChI=1S/C3H6O2/c4-2-1-3(2)5/h2-5H,1H2/t2-,3+","InChI=1S/C2H4O.CH2O/c1-2-3;1-2/h2-3H,1H2;1-2H",48.93795,61.05065,
4664,[O:1]([C@@:2]1([H:7])[C:3]([H:8])([H:9])[C@:4]1([O:5][H:11])[H:10])[H:6],[O:1]([C@@:2]([C:3]([H:8])([H:9])[H:10])([C:4][O:5][H:11])[H:7])[H:6],"InChI=1S/C3H6O2/c4-2-1-3(2)5/h2-5H,1H2/t2-,3+","InChI=1S/C3H6O2/c1-3(5)2-4/h3-5H,1H3/t3-/m0/s1",49.34525,29.994770000000003,
4665,[O:1]([C@@:2]1([H:7])[C:3]([H:8])([H:9])[C@:4]1([O:5][H:11])[H:10])[H:6],[O:1]([C:2]1([H:7])[C:3]([H:9])=[C:4]1[H:10])[H:6].[O:5]([H:8])[H:11],"InChI=1S/C3H6O2/c4-2-1-3(2)5/h2-5H,1H2/t2-,3+",InChI=1S/C3H4O.H2O/c4-3-1-2-3;/h1-4H;1H2,64.9914,32.74651,
4666,[O:1]([C@@:2]1([H:7])[C:3]([H:8])([H:9])[C@:4]1([O:5][H:11])[H:10])[H:6],[O:1]([C@@:2]1([H:7])[C:3]([H:8])([H:9])[C:4]1)[H:6].[O:5]([H:10])[H:11],"InChI=1S/C3H6O2/c4-2-1-3(2)5/h2-5H,1H2/t2-,3+","InChI=1S/C3H4O.H2O/c4-3-1-2-3;/h3-4H,1H2;1H2/t3-;/m0./s1",75.52190999999999,21.11219,
4667,[O:1]([C@@:2]1([H:7])[C:3]([H:8])([H:9])[C@:4]1([O:5][H:11])[H:10])[H:6],[O:1]([C:2]([C:3]([C:4](=[O:5])[H:10])([H:8])[H:9])([H:6])[H:7])[H:11],"InChI=1S/C3H6O2/c4-2-1-3(2)5/h2-5H,1H2/t2-,3+","InChI=1S/C3H6O2/c4-2-1-3-5/h2,5H,1,3H2",53.172630000000005,-19.41241,
4668,[O:1]([C@@:2]1([H:7])[C:3]([H:8])([H:9])[C@:4]1([O:5][H:11])[H:10])[H:6],[O:1]([C:3]([C@:4]([C:2][H:7])([O:5][H:11])[H:10])([H:8])[H:9])[H:6],"InChI=1S/C3H6O2/c4-2-1-3(2)5/h2-5H,1H2/t2-,3+","InChI=1S/C3H6O2/c1-3(5)2-4/h1,3-5H,2H2/t3-/m0/s1",86.74367,76.70543,
4669,[O:1]([C@@:2]1([H:7])[C:3]([H:8])([H:9])[C@:4]1([O:5][H:11])[H:10])[H:6],[O:1]([C:2]([C:3]([C:4][O:5][H:11])([H:8])[H:9])([H:7])[H:10])[H:6],"InChI=1S/C3H6O2/c4-2-1-3(2)5/h2-5H,1H2/t2-,3+","InChI=1S/C3H6O2/c4-2-1-3-5/h4-5H,1-2H2",54.56465,36.33512,
4670,[O:1]([C@@:2]1([H:7])[C:3]([H:8])([H:9])[C@:4]1([O:5][H:11])[H:10])[H:6],[O:1](/[C:2](=[C:3](\[C:4]([O:5][H:11])([H:8])[H:10])[H:9])[H:7])[H:6],"InChI=1S/C3H6O2/c4-2-1-3(2)5/h2-5H,1H2/t2-,3+","InChI=1S/C3H6O2/c4-2-1-3-5/h1-2,4-5H,3H2/b2-1-",60.48046,-14.42264,
4671,[O:1]([C@@:2]1([H:7])[C:3]([H:8])([H:9])[C@:4]1([O:5][H:11])[H:10])[H:6],[C:2]1([H:7])=[C:4]([H:10])[C:3]1([H:8])[H:9].[O:1]([O:5][H:11])[H:6],"InChI=1S/C3H6O2/c4-2-1-3(2)5/h2-5H,1H2/t2-,3+","InChI=1S/C3H4.H2O2/c1-2-3-1;1-2/h1-2H,3H2;1-2H",121.33518000000001,97.76001,
4672,[O:1]([C@@:2]1([H:7])[C:3]([H:8])([H:9])[C@:4]1([O:5][H:11])[H:10])[H:6],[O:1]([C@@:2]([C:3]([H:8])([H:9])[H:11])([C:4](=[O:5])[H:10])[H:7])[H:6],"InChI=1S/C3H6O2/c4-2-1-3(2)5/h2-5H,1H2/t2-,3+","InChI=1S/C3H6O2/c1-3(5)2-4/h2-3,5H,1H3/t3-/m0/s1",48.484120000000004,-15.435260000000001,
4673,[O:1]([C@@:2]1([H:7])[C:3]([H:8])([H:9])[C@:4]1([O:5][H:11])[H:10])[H:6],[H:6][H:7].[O:1]=[C:2]1[C:3]([H:8])([H:9])[C@:4]1([O:5][H:11])[H:10],"InChI=1S/C3H6O2/c4-2-1-3(2)5/h2-5H,1H2/t2-,3+","InChI=1S/C3H4O2.H2/c4-2-1-3(2)5;/h2,4H,1H2;1H/t2-;/m1./s1",85.05248,31.37332,
4674,[O:1]([C@@:2]1([H:7])[C:3]([H:8])([H:9])[C@:4]1([O:5][H:11])[H:10])[H:6],[O:1]([C:4]([C:2](=[C:3]([H:8])[H:9])[H:7])([O:5][H:11])[H:10])[H:6],"InChI=1S/C3H6O2/c4-2-1-3(2)5/h2-5H,1H2/t2-,3+","InChI=1S/C3H6O2/c1-2-3(4)5/h2-5H,1H2",49.80803,-14.6106,
4675,[C:1]([C:2]([C:3]([C:4]([H:12])([H:13])[H:14])([C:5]([H:15])([H:16])[H:17])[C:6]([H:18])([H:19])[H:20])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:4]([H:12])([H:13])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9].[C:3]([C:5]([H:15])([H:16])[H:17])[C:6]([H:18])([H:19])[H:20],"InChI=1S/C6H14/c1-5-6(2,3)4/h5H2,1-4H3","InChI=1S/C3H8.C3H6/c2*1-3-2/h3H2,1-2H3;1-2H3",132.97131000000002,94.76137,
4676,[C:1]([C:2]([C@@:3]1([H:12])[C:4]([H:13])([H:14])[C@:5]1([O:6][H:16])[H:15])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:16].[C:2](=[C:3]([C:4]([C:5](=[O:6])[H:15])([H:13])[H:14])[H:12])([H:10])[H:11],"InChI=1S/C5H10O/c1-2-4-3-5(4)6/h4-6H,2-3H2,1H3/t4-,5+/m0/s1","InChI=1S/C4H6O.CH4/c1-2-3-4-5;/h2,4H,1,3H2;1H4",53.06886,0.9793299999999999,
4677,[C:1]([C:2]([C@@:3]1([H:12])[C:4]([H:13])([H:14])[C@:5]1([O:6][H:16])[H:15])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]1([H:7])([H:8])[C:2]([H:10])([H:11])[C:3]1([C:4]([C:5]([O:6][H:16])([H:9])[H:15])([H:13])[H:14])[H:12],"InChI=1S/C5H10O/c1-2-4-3-5(4)6/h4-6H,2-3H2,1H3/t4-,5+/m0/s1","InChI=1S/C5H10O/c6-4-3-5-1-2-5/h5-6H,1-4H2",81.15399000000001,5.10979,
4678,[C:1]([C:2]([C@@:3]1([H:12])[C:4]([H:13])([H:14])[C@:5]1([O:6][H:16])[H:15])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]1([H:7])([H:8])[C:2]([H:10])([H:11])[C@:3]2([H:12])[C:4]([H:13])([H:14])[C@:5]12[H:15].[O:6]([H:9])[H:16],"InChI=1S/C5H10O/c1-2-4-3-5(4)6/h4-6H,2-3H2,1H3/t4-,5+/m0/s1","InChI=1S/C5H8.H2O/c1-2-5-3-4(1)5;/h4-5H,1-3H2;1H2/t4-,5+;",97.2933,20.1973,
4679,[C:1]([C:2]([C@@:3]1([H:12])[C:4]([H:13])([H:14])[C@:5]1([O:6][H:16])[H:15])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]1([H:12])[C:4]([H:13])=[C:5]1[H:15])([H:10])[H:11])([H:7])([H:8])[H:9].[O:6]([H:14])[H:16],"InChI=1S/C5H10O/c1-2-4-3-5(4)6/h4-6H,2-3H2,1H3/t4-,5+/m0/s1","InChI=1S/C5H8.H2O/c1-2-5-3-4-5;/h3-5H,2H2,1H3;1H2",71.90454,36.214459999999995,
4680,[C:1]([C:2]([C@@:3]1([H:12])[C:4]([H:13])([H:14])[C@:5]1([O:6][H:16])[H:15])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])[C:4]([H:13])([H:14])[C@@:5]12[H:15])([H:7])([H:8])[H:9].[O:6]([H:10])[H:16],"InChI=1S/C5H10O/c1-2-4-3-5(4)6/h4-6H,2-3H2,1H3/t4-,5+/m0/s1","InChI=1S/C5H8.H2O/c1-3-4-2-5(3)4;/h3-5H,2H2,1H3;1H2/t3-,4+,5-;",92.43975999999999,28.50948,
4681,[C:1]([C:2]([C@@:3]1([H:12])[C:4]([H:13])([H:14])[C@:5]1([O:6][H:16])[H:15])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]([H:10])[H:11])([H:7])[H:8].[C:3]1([H:12])=[C:4]([H:13])[C:5]1([O:6][H:16])[H:15].[H:9][H:14],"InChI=1S/C5H10O/c1-2-4-3-5(4)6/h4-6H,2-3H2,1H3/t4-,5+/m0/s1",InChI=1S/C3H4O.C2H4.H2/c4-3-1-2-3;1-2;/h1-4H;1-2H2;1H,91.34956,73.44493,
4682,[C:1]([C:2]([C@@:3]1([H:12])[C:4]([H:13])([H:14])[C@:5]1([O:6][H:16])[H:15])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3][C:4]([C:5]([O:6][H:16])([H:12])[H:15])([H:13])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-2-4-3-5(4)6/h4-6H,2-3H2,1H3/t4-,5+/m0/s1","InChI=1S/C5H10O/c1-2-3-4-5-6/h6H,2,4-5H2,1H3",66.62178,68.73418000000001,
4683,[C:1]([C:2]([C@@:3]1([H:12])[C:4]([H:13])([H:14])[C@:5]1([O:6][H:16])[H:15])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C@@:5]([C:3]1([H:12])[C:2]([H:10])([H:11])[C:4]1([H:13])[H:14])([O:6][H:16])[H:15])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-2-4-3-5(4)6/h4-6H,2-3H2,1H3/t4-,5+/m0/s1","InChI=1S/C5H10O/c1-4(6)5-2-3-5/h4-6H,2-3H2,1H3/t4-/m0/s1",102.76278,-2.0212,
4684,[C:1]([C:2]([C@@:3]1([H:12])[C:4]([H:13])([H:14])[C@:5]1([O:6][H:16])[H:15])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:10].[C:2]([C@@:3]1([H:12])[C:4]([H:13])([H:14])[C@:5]1([O:6][H:16])[H:15])[H:11],"InChI=1S/C5H10O/c1-2-4-3-5(4)6/h4-6H,2-3H2,1H3/t4-,5+/m0/s1","InChI=1S/C4H6O.CH4/c1-3-2-4(3)5;/h1,3-5H,2H2;1H4/t3-,4+;/m0./s1",82.00654,88.33440999999999,
4685,[C:1]([C:2]([C@@:3]1([H:12])[C:4]([H:13])([H:14])[C@:5]1([O:6][H:16])[H:15])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3](/[C:4](=[C:5](/[O:6][H:16])[H:15])[H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-2-4-3-5(4)6/h4-6H,2-3H2,1H3/t4-,5+/m0/s1","InChI=1S/C5H10O/c1-2-3-4-5-6/h4-6H,2-3H2,1H3/b5-4+",66.85126,-9.88462,
4686,[C:1]([C@@:2]([O:3][H:11])([C:4]([C:5]#[N:6])([H:12])[H:13])[H:10])([H:7])([H:8])[H:9],[C:1]([C@@:2]([O:3][H:11])([C:4]([N+:6]#[C-:5])([H:12])[H:13])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4(6)2-3-5/h4,6H,2H2,1H3/t4-/m1/s1","InChI=1S/C4H7NO/c1-4(6)3-5-2/h4,6H,3H2,1H3/t4-/m1/s1",59.37381,26.480320000000003,
4687,[C:1]([C@@:2]([O:3][H:11])([C:4]([C:5]#[N:6])([H:12])[H:13])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2](=[O:3])[C:4]([C:5]#[N:6])([H:12])[H:13])([H:7])([H:8])[H:9].[H:10][H:11],"InChI=1S/C4H7NO/c1-4(6)2-3-5/h4,6H,2H2,1H3/t4-/m1/s1","InChI=1S/C4H5NO.H2/c1-4(6)2-3-5;/h2H2,1H3;1H",78.78033,16.24995,
4688,[C:1]([C@@:2]([O:3][H:11])([C:4]([C:5]#[N:6])([H:12])[H:13])[H:10])([H:7])([H:8])[H:9],[C:1](/[C:2](=[C:4](/[C:5]#[N:6])[H:12])[H:10])([H:7])([H:8])[H:9].[O:3]([H:11])[H:13],"InChI=1S/C4H7NO/c1-4(6)2-3-5/h4,6H,2H2,1H3/t4-/m1/s1","InChI=1S/C4H5N.H2O/c1-2-3-4-5;/h2-3H,1H3;1H2/b3-2+;",51.314820000000005,9.39056,"1,3_Insertion_ROR"
4689,[C:1]([C@@:2]([O:3][H:11])([C:4]([C:5]#[N:6])([H:12])[H:13])[H:10])([H:7])([H:8])[H:9],[C:1]([C@:4]([C:2](=[O:3])[H:10])([C:5]#[N:6])[H:12])([H:7])([H:8])[H:9].[H:11][H:13],"InChI=1S/C4H7NO/c1-4(6)2-3-5/h4,6H,2H2,1H3/t4-/m1/s1","InChI=1S/C4H5NO.H2/c1-4(2-5)3-6;/h3-4H,1H3;1H/t4-;/m0./s1",82.96381,24.07144,
4690,[C:1]([C@@:2]([O:3][H:11])([C:4]([C:5]#[N:6])([H:12])[H:13])[H:10])([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:10].[C:2]([O:3][H:11])[C:4]([C:5]#[N:6])([H:12])[H:13],"InChI=1S/C4H7NO/c1-4(6)2-3-5/h4,6H,2H2,1H3/t4-/m1/s1","InChI=1S/C3H3NO.CH4/c4-2-1-3-5;/h5H,1H2;1H4",75.48276,68.48656,
4691,[C:1]([C@@:2]([O:3][H:11])([C:4]([C:5]#[N:6])([H:12])[H:13])[H:10])([H:7])([H:8])[H:9],[C:1]([C:4]([C:5]#[N:6])([H:12])[H:13])([H:7])([H:8])[H:9].[C:2]([O:3][H:11])[H:10],"InChI=1S/C4H7NO/c1-4(6)2-3-5/h4,6H,2H2,1H3/t4-/m1/s1","InChI=1S/C3H5N.CH2O/c1-2-3-4;1-2/h2H2,1H3;1-2H",121.35623000000001,74.50413,
4692,[C:1]([C@@:2]([O:3][H:11])([C:4]([C:5]#[N:6])([H:12])[H:13])[H:10])([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:11].[C:2](=[O:3])([C:4]([C:5]#[N:6])([H:12])[H:13])[H:10],"InChI=1S/C4H7NO/c1-4(6)2-3-5/h4,6H,2H2,1H3/t4-/m1/s1","InChI=1S/C3H3NO.CH4/c4-2-1-3-5;/h3H,1H2;1H4",77.85261,11.51569,
4693,[C:1]([C@@:2]([O:3][H:11])([C:4]([C:5]#[N:6])([H:12])[H:13])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2](=[O:3])[H:10])([H:7])([H:8])[H:9].[C:4](=[C:5]=[N:6][H:11])([H:12])[H:13],"InChI=1S/C4H7NO/c1-4(6)2-3-5/h4,6H,2H2,1H3/t4-/m1/s1","InChI=1S/C2H3N.C2H4O/c2*1-2-3/h3H,1H2;2H,1H3",30.898770000000003,30.11732,Retroene
4694,[C:1]([C@@:2]([O:3][H:11])([C:4]([C:5]#[N:6])([H:12])[H:13])[H:10])([H:7])([H:8])[H:9],[C:1]([C@@:2]([C:4]([O:3][H:11])([H:12])[H:13])([C:5]#[N:6])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4(6)2-3-5/h4,6H,2H2,1H3/t4-/m1/s1","InChI=1S/C4H7NO/c1-4(2-5)3-6/h4,6H,3H2,1H3/t4-/m1/s1",85.73998,2.83612,
4695,[C:1]([C@@:2]([O:3][H:11])([C:4]([C:5]#[N:6])([H:12])[H:13])[H:10])([H:7])([H:8])[H:9],[C:1]([O:3][H:11])([H:7])([H:8])[H:9].[C:2]([C:4]([C:5]#[N:6])([H:12])[H:13])[H:10],"InChI=1S/C4H7NO/c1-4(6)2-3-5/h4,6H,2H2,1H3/t4-/m1/s1","InChI=1S/C3H3N.CH4O/c1-2-3-4;1-2/h1H,2H2;2H,1H3",114.80243,113.65211000000001,
4696,[C:1]([C@@:2]([O:3][H:11])([C:4]([C:5]#[N:6])([H:12])[H:13])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:4]([H:12])[H:13])[H:10])([H:7])([H:8])[H:9].[O:3]([N+:6]#[C-:5])[H:11],"InChI=1S/C4H7NO/c1-4(6)2-3-5/h4,6H,2H2,1H3/t4-/m1/s1","InChI=1S/C3H6.CHNO/c1-3-2;1-2-3/h3H,1H2,2H3;3H",93.69226,91.47424000000001,
4697,[C:1]([C:2]([C:3]([C@@:4]1([H:14])[C:5]([H:15])([H:16])[O:6]1)([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([C@@:4]([C:5][H:15])([O:6][H:16])[H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-2-3-5-4-6-5/h5H,2-4H2,1H3/t5-/m0/s1","InChI=1S/C5H10O/c1-3-4-5(2)6/h2,5-6H,3-4H2,1H3/t5-/m1/s1",68.49750999999999,67.16017,
4698,[C:1]([C:2]([C:3]([C@@:4]1([H:14])[C:5]([H:15])([H:16])[O:6]1)([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([C:4](=[O+:6][C-:5]([H:15])[H:16])[H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-2-3-5-4-6-5/h5H,2-4H2,1H3/t5-/m0/s1","InChI=1S/C5H10O/c1-3-4-5-6-2/h5H,2-4H2,1H3",51.83943,41.7587,
4699,[C:1]([C:2]([C:3]([C@@:4]1([H:14])[C:5]([H:15])([H:16])[O:6]1)([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([C:4]([O+:6]=[C-:5][H:15])([H:14])[H:16])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-2-3-5-4-6-5/h5H,2-4H2,1H3/t5-/m0/s1","InChI=1S/C5H10O/c1-3-4-5-6-2/h2H,3-5H2,1H3",75.15314000000001,47.33708,
4700,[C:1]([C:2]([C:3]([C@@:4]1([H:14])[C:5]([H:15])([H:16])[O:6]1)([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:12].[C:2](=[C:3]([C@@:4]1([H:14])[C:5]([H:15])([H:16])[O:6]1)[H:13])([H:10])[H:11],"InChI=1S/C5H10O/c1-2-3-5-4-6-5/h5H,2-4H2,1H3/t5-/m0/s1","InChI=1S/C4H6O.CH4/c1-2-4-3-5-4;/h2,4H,1,3H2;1H4/t4-;/m0./s1",92.52724,16.34851,
4701,[C:1]([C:2]([C:3]([C@@:4]1([H:14])[C:5]([H:15])([H:16])[O:6]1)([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([C:4](=[O:6])[H:14])([H:12])[H:13])([H:10])[H:11])([C:5]([H:7])([H:15])[H:16])([H:8])[H:9],"InChI=1S/C5H10O/c1-2-3-5-4-6-5/h5H,2-4H2,1H3/t5-/m0/s1","InChI=1S/C5H10O/c1-2-3-4-5-6/h5H,2-4H2,1H3",81.70082,-21.7611,
4702,[C:1]([C:2]([C:3]([C@@:4]1([H:14])[C:5]([H:15])([H:16])[O:6]1)([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:4](=[C:3]([H:12])[H:13])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9].[C:5](=[O:6])([H:15])[H:16],"InChI=1S/C5H10O/c1-2-3-5-4-6-5/h5H,2-4H2,1H3/t5-/m0/s1","InChI=1S/C4H8.CH2O/c1-3-4-2;1-2/h3H,1,4H2,2H3;1H2",76.67785,5.97125,
4703,[C:1]([C:2]([C:3]([C@@:4]1([H:14])[C:5]([H:15])([H:16])[O:6]1)([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C-:4]1=[O+:6][C:5]1([H:15])[H:16].[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-2-3-5-4-6-5/h5H,2-4H2,1H3/t5-/m0/s1","InChI=1S/C3H8.C2H2O/c1-3-2;1-2-3-1/h3H2,1-2H3;1H2",77.85696999999999,57.71767,
4704,[C:1]([C:2]([C:3]([C@@:4]1([H:14])[C:5]([H:15])([H:16])[O:6]1)([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]([H:12])[H:13])[H:11])([H:7])([H:8])[H:9].[C:4]([C:5]([H:10])([H:15])[H:16])(=[O:6])[H:14],"InChI=1S/C5H10O/c1-2-3-5-4-6-5/h5H,2-4H2,1H3/t5-/m0/s1","InChI=1S/C3H6.C2H4O/c1-3-2;1-2-3/h3H,1H2,2H3;2H,1H3",56.2772,-3.43589,
4705,[C:1]([C:2]([C:3]([C@@:4]1([H:14])[C:5]([H:15])([H:16])[O:6]1)([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([C:4][C:5]([O:6][H:14])([H:15])[H:16])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-2-3-5-4-6-5/h5H,2-4H2,1H3/t5-/m0/s1","InChI=1S/C5H10O/c1-2-3-4-5-6/h6H,2-3,5H2,1H3",66.99324,65.72296,
4706,[C:1]([C:2]([C:3]([C@@:4]1([H:14])[C:5]([H:15])([H:16])[O:6]1)([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([C-:4]=[O+:6][C:5]([H:14])([H:15])[H:16])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-2-3-5-4-6-5/h5H,2-4H2,1H3/t5-/m0/s1","InChI=1S/C5H10O/c1-3-4-5-6-2/h3-4H2,1-2H3",71.69135,40.19108,
4707,[C:1]([C:2]([C:3]([C@@:4]1([H:14])[C:5]([H:15])([H:16])[O:6]1)([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]([C:3]([C@@:4]1([H:14])[C:5]([H:15])([H:16])[O:6]1)([H:12])[H:13])[H:11])([H:8])[H:9].[H:7][H:10],"InChI=1S/C5H10O/c1-2-3-5-4-6-5/h5H,2-4H2,1H3/t5-/m0/s1","InChI=1S/C5H8O.H2/c1-2-3-5-4-6-5;/h2,5H,1,3-4H2;1H/t5-;/m0./s1",107.35009,31.09525,
4708,[C:1]([C:2]([C:3]([C@@:4]1([H:14])[C:5]([H:15])([H:16])[O:6]1)([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([O:6][C:5]([C:4](=[C:3]([H:12])[H:13])[H:14])([H:15])[H:16])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-2-3-5-4-6-5/h5H,2-4H2,1H3/t5-/m0/s1","InChI=1S/C5H10O/c1-3-5-6-4-2/h3H,1,4-5H2,2H3",76.22825999999999,-1.45034,
4709,[C:1]([C:2]([C:3]([C@@:4]1([H:14])[C:5]([H:15])([H:16])[O:6]1)([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:4]1([H:14])[C:2]([H:10])([H:11])[C:3]1([H:12])[H:13])([H:7])([H:8])[H:9].[C:5](=[O:6])([H:15])[H:16],"InChI=1S/C5H10O/c1-2-3-5-4-6-5/h5H,2-4H2,1H3/t5-/m0/s1","InChI=1S/C4H8.CH2O/c1-4-2-3-4;1-2/h4H,2-3H2,1H3;1H2",89.48487,12.017489999999999,
4710,[O:1]1[C@@:2]2([H:7])[C@:3]3([H:8])[O:4][C@@:5]2([H:9])[C@:6]13[H:10],[O:1]1[C:2]([H:7])=[C:3]([H:8])[O:4][C:5]([H:9])=[C:6]1[H:10],"InChI=1S/C4H4O2/c5-1-2-4(5)3(1)6-2/h1-4H/t1-,2-,3+,4+",InChI=1S/C4H4O2/c1-2-6-4-3-5-1/h1-4H,38.53857,0.91285,
4711,[C:1]([C@@:2]1([H:10])[O:3][C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[O:3][C:4]([H:12])=[C:5]1[O:6][H:14])([H:7])([H:8])[H:9].[H:11][H:13],"InChI=1S/C4H8O2/c1-3-4(5)2-6-3/h3-5H,2H2,1H3/t3-,4-/m1/s1","InChI=1S/C4H6O2.H2/c1-3-4(5)2-6-3;/h2-3,5H,1H3;1H/t3-;/m1./s1",104.51219,33.35344,
4712,[C:1]([C@@:2]1([H:10])[O:3][C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])([H:7])([H:8])[H:9],[C-:2]1([H:10])[O+:3]=[C:4]([H:12])[C:5]1([O:6][H:14])[H:13].[C:1]([H:7])([H:8])([H:9])[H:11],"InChI=1S/C4H8O2/c1-3-4(5)2-6-3/h3-5H,2H2,1H3/t3-,4-/m1/s1",InChI=1S/C3H4O2.CH4/c4-3-1-5-2-3;/h1-4H;1H4,81.58735,72.28579,
4713,[C:1]([C@@:2]1([H:10])[O:3][C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])([H:7])([H:8])[H:9],[C:1]([C@@:2]([O:3][C:4]([H:11])([H:12])[H:14])([C:5](=[O:6])[H:13])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-3-4(5)2-6-3/h3-5H,2H2,1H3/t3-,4-/m1/s1","InChI=1S/C4H8O2/c1-4(3-5)6-2/h3-4H,1-2H3/t4-/m1/s1",71.06766,-6.84898,
4714,[C:1]([C@@:2]1([H:10])[O:3][C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])([H:7])([H:8])[H:9],[C:1](=[C:2]1[O:3][C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])([H:7])[H:8].[H:9][H:10],"InChI=1S/C4H8O2/c1-3-4(5)2-6-3/h3-5H,2H2,1H3/t3-,4-/m1/s1","InChI=1S/C4H6O2.H2/c1-3-4(5)2-6-3;/h4-5H,1-2H2;1H/t4-;/m1./s1",93.69593,25.25395,
4715,[C:1]([C@@:2]1([H:10])[O:3][C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])([H:7])([H:8])[H:9],[C:1]([C@@:2]([O:3][H:11])([C@@:5]([C:4][H:12])([O:6][H:14])[H:13])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-3-4(5)2-6-3/h3-5H,2H2,1H3/t3-,4-/m1/s1","InChI=1S/C4H8O2/c1-3(5)4(2)6/h1,3-6H,2H3/t3-,4-/m1/s1",69.75753,66.78336999999999,
4716,[C:1]([C@@:2]1([H:10])[O:3][C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])([H:7])([H:8])[H:9],[C:1](/[C:2](=[C:5](\[O:6][H:14])[H:13])[H:10])([H:7])([H:8])[H:9].[O:3]=[C:4]([H:11])[H:12],"InChI=1S/C4H8O2/c1-3-4(5)2-6-3/h3-5H,2H2,1H3/t3-,4-/m1/s1","InChI=1S/C3H6O.CH2O/c1-2-3-4;1-2/h2-4H,1H3;1H2/b3-2-;",53.37854,3.5528699999999995,2+2_cycloaddition
4717,[C:1]([C@@:2]1([H:10])[O:3][C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])([H:7])([H:8])[H:9],[C:1]([C:2](=[O:3])[H:10])([H:7])([H:8])[H:9].[C:4](=[C:5]([O:6][H:14])[H:13])([H:11])[H:12],"InChI=1S/C4H8O2/c1-3-4(5)2-6-3/h3-5H,2H2,1H3/t3-,4-/m1/s1","InChI=1S/2C2H4O/c2*1-2-3/h2H,1H3;2-3H,1H2",62.372580000000006,-3.68949,2+2_cycloaddition
4718,[C:1]([C@@:2]1([H:10])[O:3][C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])([H:7])([H:8])[H:9],[C:1]1([H:7])([H:8])[C@@:2]2([H:10])[O:3][C:4]([H:11])([H:12])[C@@:5]12[H:13].[O:6]([H:9])[H:14],"InChI=1S/C4H8O2/c1-3-4(5)2-6-3/h3-5H,2H2,1H3/t3-,4-/m1/s1","InChI=1S/C4H6O.H2O/c1-3-2-5-4(1)3;/h3-4H,1-2H2;1H2/t3-,4-;/m1./s1",90.77691999999999,29.4333,
4719,[C:1]([C@@:2]1([H:10])[O:3][C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])([H:7])([H:8])[H:9],[C:1]([C-:2]=[O+:3][C:4]([C:5]([O:6][H:14])([H:10])[H:13])([H:11])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-3-4(5)2-6-3/h3-5H,2H2,1H3/t3-,4-/m1/s1","InChI=1S/C4H8O2/c1-2-6-4-3-5/h5H,3-4H2,1H3",92.49981,36.60065,
4720,[C:1]([C@@:2]1([H:10])[O:3][C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])([H:7])([H:8])[H:9],[C:1]([C@@:2]([O+:3]=[C-:4][H:12])([C:5]([O:6][H:14])([H:11])[H:13])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-3-4(5)2-6-3/h3-5H,2H2,1H3/t3-,4-/m1/s1","InChI=1S/C4H8O2/c1-4(3-5)6-2/h2,4-5H,3H2,1H3/t4-/m1/s1",73.65581,47.97036,
4721,[C:1]([C@@:2]1([H:10])[O:3][C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])([H:7])([H:8])[H:9],[C:1]([C@@:2]([O:3][H:14])([C@@:5]1([H:13])[C:4]([H:11])([H:12])[O:6]1)[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-3-4(5)2-6-3/h3-5H,2H2,1H3/t3-,4-/m1/s1","InChI=1S/C4H8O2/c1-3(5)4-2-6-4/h3-5H,2H2,1H3/t3-,4-/m1/s1",58.3174,-0.06944,
4722,[C:1]([C@@:2]1([H:10])[O:3][C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[O:3][C:4]([H:12])=[C:5]1[H:13])([H:7])([H:8])[H:9].[O:6]([H:11])[H:14],"InChI=1S/C4H8O2/c1-3-4(5)2-6-3/h3-5H,2H2,1H3/t3-,4-/m1/s1","InChI=1S/C4H6O.H2O/c1-4-2-3-5-4;/h2-4H,1H3;1H2/t4-;/m1./s1",68.93205999999999,15.776620000000001,"1,3_Insertion_ROR"
4723,[C:1]([C@@:2]1([H:10])[O:3][C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])([H:7])([H:8])[H:9],[C:1]([C@:2]1([H:10])[C@:5]([C:4]([O:3][H:14])([H:11])[H:12])([H:13])[O:6]1)([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-3-4(5)2-6-3/h3-5H,2H2,1H3/t3-,4-/m1/s1","InChI=1S/C4H8O2/c1-3-4(2-5)6-3/h3-5H,2H2,1H3/t3-,4-/m1/s1",52.041140000000006,-1.32781,
4724,[C:1]([C@@:2]1([H:10])[O:3][C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])([H:7])([H:8])[H:9],[C:1](=[C:2]([C@:5]1([O:6][H:14])[O:3][C:4]1([H:11])[H:12])[H:10])([H:7])[H:8].[H:9][H:13],"InChI=1S/C4H8O2/c1-3-4(5)2-6-3/h3-5H,2H2,1H3/t3-,4-/m1/s1","InChI=1S/C4H6O2.H2/c1-2-4(5)3-6-4;/h2,5H,1,3H2;1H/t4-;/m0./s1",99.9901,25.9355,
4725,[C:1]([C@@:2]1([H:10])[O:3][C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:14].[C@:2]12([H:10])[O:3][C:4]([H:11])([H:12])[C@@:5]1([H:13])[O:6]2,"InChI=1S/C4H8O2/c1-3-4(5)2-6-3/h3-5H,2H2,1H3/t3-,4-/m1/s1","InChI=1S/C3H4O2.CH4/c1-2-3(4-1)5-2;/h2-3H,1H2;1H4/t2-,3-;/m1./s1",61.955259999999996,34.79419,
4726,[C:1]([C@@:2]1([H:10])[O:3][C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])([H:7])([H:8])[H:9],[C:1]([C:2][C@@:5]([C:4]([O:3][H:10])([H:11])[H:12])([O:6][H:14])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-3-4(5)2-6-3/h3-5H,2H2,1H3/t3-,4-/m1/s1","InChI=1S/C4H8O2/c1-2-4(6)3-5/h4-6H,3H2,1H3/t4-/m0/s1",65.67676999999999,62.775690000000004,
4727,[C:1]([C@@:2]1([H:10])[O:3][C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])([H:7])([H:8])[H:9],[C:1](=[C:2]([O:3][C:4]([C:5](=[O:6])[H:13])([H:11])[H:12])[H:10])([H:7])[H:8].[H:9][H:14],"InChI=1S/C4H8O2/c1-3-4(5)2-6-3/h3-5H,2H2,1H3/t3-,4-/m1/s1","InChI=1S/C4H6O2.H2/c1-2-6-4-3-5;/h2-3H,1,4H2;1H",53.48341,18.450789999999998,
4728,[C:1]([C@@:2]1([H:10])[O:3][C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])([H:7])([H:8])[H:9],[C-:2]1=[O+:3][C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13].[C:1]([H:7])([H:8])([H:9])[H:10],"InChI=1S/C4H8O2/c1-3-4(5)2-6-3/h3-5H,2H2,1H3/t3-,4-/m1/s1","InChI=1S/C3H4O2.CH4/c4-3-1-5-2-3;/h3-4H,1H2;1H4/t3-;/m1./s1",73.77431999999999,63.796130000000005,
4729,[C:1]([C@@:2]1([H:10])[O:3][C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[O+:3]=[C-:4][C@:5]1([O:6][H:14])[H:13])([H:7])([H:8])[H:9].[H:11][H:12],"InChI=1S/C4H8O2/c1-3-4(5)2-6-3/h3-5H,2H2,1H3/t3-,4-/m1/s1","InChI=1S/C4H6O2.H2/c1-3-4(5)2-6-3;/h3-5H,1H3;1H/t3-,4-;/m1./s1",73.36480999999999,71.40512,
4730,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C@@:3]2([H:11])[O:4][C:5]([H:12])([H:13])[C@@:6]12[H:14],[C:1]([C:2]([H:9])([H:10])[H:12])([C:6]1([H:14])[C-:3]([H:11])[O+:4]=[C:5]1[H:13])([H:7])[H:8],"InChI=1S/C5H8O/c1-2-5-4(1)3-6-5/h4-5H,1-3H2/t4-,5-/m1/s1","InChI=1S/C5H8O/c1-2-5-3-6-4-5/h3-5H,2H2,1H3",68.27846,42.801809999999996,
4731,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C@@:3]2([H:11])[O:4][C:5]([H:12])([H:13])[C@@:6]12[H:14],[C:1]1([H:7])([H:8])[C:2]([H:10])=[C:3]([H:11])[C@:6]1([C:5]([O:4][H:9])([H:12])[H:13])[H:14],"InChI=1S/C5H8O/c1-2-5-4(1)3-6-5/h4-5H,1-3H2/t4-,5-/m1/s1","InChI=1S/C5H8O/c6-4-5-2-1-3-5/h1-2,5-6H,3-4H2/t5-/m1/s1",51.785790000000006,-9.12566,
4732,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C@@:3]2([H:11])[O:4][C:5]([H:12])([H:13])[C@@:6]12[H:14],[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3][C@:6]1([C:5]([O:4][H:11])([H:12])[H:13])[H:14],"InChI=1S/C5H8O/c1-2-5-4(1)3-6-5/h4-5H,1-3H2/t4-,5-/m1/s1","InChI=1S/C5H8O/c6-4-5-2-1-3-5/h5-6H,1-2,4H2/t5-/m0/s1",65.20777,52.413959999999996,
4733,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C@@:3]2([H:11])[O:4][C:5]([H:12])([H:13])[C@@:6]12[H:14],[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C@@:3]([C:6](=[C:5]([H:12])[H:13])[H:14])([H:11])[O:4]1,"InChI=1S/C5H8O/c1-2-5-4(1)3-6-5/h4-5H,1-3H2/t4-,5-/m1/s1","InChI=1S/C5H8O/c1-2-5-3-4-6-5/h2,5H,1,3-4H2/t5-/m0/s1",90.73924,-6.89115,
4734,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C@@:3]2([H:11])[O:4][C:5]([H:12])([H:13])[C@@:6]12[H:14],[C@:1]12([H:7])[C:2]([H:9])([H:10])[C@@:3]13[O:4][C:5]([H:12])([H:13])[C@@:6]23[H:14].[H:8][H:11],"InChI=1S/C5H8O/c1-2-5-4(1)3-6-5/h4-5H,1-3H2/t4-,5-/m1/s1","InChI=1S/C5H6O.H2/c1-3-4-2-6-5(1,3)4;/h3-4H,1-2H2;1H/t3-,4+,5-;/m1./s1",94.03341,80.20487,
4735,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C@@:3]2([H:11])[O:4][C:5]([H:12])([H:13])[C@@:6]12[H:14],[C:1]([C:2]([C@@:3]1([H:11])[O:4][C:5]([H:12])([H:13])[C:6]1)([H:9])[H:10])([H:7])([H:8])[H:14],"InChI=1S/C5H8O/c1-2-5-4(1)3-6-5/h4-5H,1-3H2/t4-,5-/m1/s1","InChI=1S/C5H8O/c1-2-5-3-4-6-5/h5H,2,4H2,1H3/t5-/m1/s1",68.94821,64.98243000000001,
4736,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C@@:3]2([H:11])[O:4][C:5]([H:12])([H:13])[C@@:6]12[H:14],[C:1](=[C:2]([H:9])[H:10])([H:7])[H:8].[C:3]1([H:11])=[C:6]([H:14])[C:5]([H:12])([H:13])[O:4]1,"InChI=1S/C5H8O/c1-2-5-4(1)3-6-5/h4-5H,1-3H2/t4-,5-/m1/s1","InChI=1S/C3H4O.C2H4/c1-2-4-3-1;1-2/h1-2H,3H2;1-2H2",79.31416,21.86075,
4737,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C@@:3]2([H:11])[O:4][C:5]([H:12])([H:13])[C@@:6]12[H:14],[C:1]([C:2]([C:3](=[O:4])[H:11])([H:9])[H:10])([C:6](=[C:5]([H:12])[H:13])[H:14])([H:7])[H:8],"InChI=1S/C5H8O/c1-2-5-4(1)3-6-5/h4-5H,1-3H2/t4-,5-/m1/s1","InChI=1S/C5H8O/c1-2-3-4-5-6/h2,5H,1,3-4H2",33.76194,-27.840120000000002,
4738,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C@@:3]2([H:11])[O:4][C:5]([H:12])([H:13])[C@@:6]12[H:14],[C:1]1([H:7])([H:8])[C:2]([H:10])=[C:3]2[O:4][C:5]([H:12])([H:13])[C@@:6]12[H:14].[H:9][H:11],"InChI=1S/C5H8O/c1-2-5-4(1)3-6-5/h4-5H,1-3H2/t4-,5-/m1/s1","InChI=1S/C5H6O.H2/c1-2-5-4(1)3-6-5;/h2,4H,1,3H2;1H/t4-;/m1./s1",111.24741000000002,58.9637,
4739,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C@@:3]2([H:11])[O:4][C:5]([H:12])([H:13])[C@@:6]12[H:14],[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]([O+:4]=[C-:5][H:12])([H:11])[C:6]1([H:13])[H:14],"InChI=1S/C5H8O/c1-2-5-4(1)3-6-5/h4-5H,1-3H2/t4-,5-/m1/s1","InChI=1S/C5H8O/c1-6-5-3-2-4-5/h1,5H,2-4H2",77.71923000000001,44.30101,
4740,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C@@:3]2([H:11])[O:4][C:5]([H:12])([H:13])[C@@:6]12[H:14],[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]([H:11])([H:14])[O:4][C:5]([H:12])([H:13])[C:6]1,"InChI=1S/C5H8O/c1-2-5-4(1)3-6-5/h4-5H,1-3H2/t4-,5-/m1/s1","InChI=1S/C5H8O/c1-2-4-6-5-3-1/h1-2,4-5H2",67.46894,45.38324,
4741,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C@@:3]2([H:11])[O:4][C:5]([H:12])([H:13])[C@@:6]12[H:14],[C:1]([C@@:6]1([H:14])[C@:3]([C:2]([H:7])([H:9])[H:10])([H:11])[O:4][C:5]1([H:12])[H:13])[H:8],"InChI=1S/C5H8O/c1-2-5-4(1)3-6-5/h4-5H,1-3H2/t4-,5-/m1/s1","InChI=1S/C5H8O/c1-4-3-6-5(4)2/h1,4-5H,3H2,2H3/t4-,5-/m1/s1",75.58386999999999,74.80748,
4742,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C@@:3]2([H:11])[O:4][C:5]([H:12])([H:13])[C@@:6]12[H:14],[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C-:3]=[O+:4][C:5]([H:12])([H:13])[C:6]1([H:11])[H:14],"InChI=1S/C5H8O/c1-2-5-4(1)3-6-5/h4-5H,1-3H2/t4-,5-/m1/s1",InChI=1S/C5H8O/c1-2-4-6-5-3-1/h1-4H2,66.57739000000001,17.17766,
4743,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C@@:3]2([H:11])[O:4][C:5]([H:12])([H:13])[C@@:6]12[H:14],[C:1]([C:2]([C@@:3]1([H:11])[O:4][C:5]([H:12])([H:13])[C:6]1([H:8])[H:14])([H:9])[H:10])[H:7],"InChI=1S/C5H8O/c1-2-5-4(1)3-6-5/h4-5H,1-3H2/t4-,5-/m1/s1","InChI=1S/C5H8O/c1-2-5-3-4-6-5/h1,5H,2-4H2/t5-/m1/s1",77.9129,75.6005,
4744,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C@@:3]2([H:11])[O:4][C:5]([H:12])([H:13])[C@@:6]12[H:14],[C:1](=[C:6]([C:5]([O:4][C:3](=[C:2]([H:9])[H:10])[H:11])([H:12])[H:13])[H:14])([H:7])[H:8],"InChI=1S/C5H8O/c1-2-5-4(1)3-6-5/h4-5H,1-3H2/t4-,5-/m1/s1","InChI=1S/C5H8O/c1-3-5-6-4-2/h3-4H,1-2,5H2",67.03224,-10.26437,
4745,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C@@:3]2([H:11])[O:4][C:5]([H:12])([H:13])[C@@:6]12[H:14],[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]([H:11])=[C:6]1[H:14].[O:4]=[C:5]([H:12])[H:13],"InChI=1S/C5H8O/c1-2-5-4(1)3-6-5/h4-5H,1-3H2/t4-,5-/m1/s1","InChI=1S/C4H6.CH2O/c1-2-4-3-1;1-2/h1-2H,3-4H2;1H2",54.03682,9.53465,2+2_cycloaddition
4746,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C@@:3]2([H:11])[O:4][C:5]([H:12])([H:13])[C@@:6]12[H:14],[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C@@:3]2([H:11])[O+:4]=[C-:5][C@@:6]12[H:14].[H:12][H:13],"InChI=1S/C5H8O/c1-2-5-4(1)3-6-5/h4-5H,1-3H2/t4-,5-/m1/s1","InChI=1S/C5H6O.H2/c1-2-5-4(1)3-6-5;/h4-5H,1-2H2;1H/t4-,5-;/m1./s1",76.93589,69.38781999999999,
4747,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C@@:3]2([H:11])[O:4][C:5]([H:12])([H:13])[C@@:6]12[H:14],[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]([H:11])=[C:6]1[C:5]([O:4][H:14])([H:12])[H:13],"InChI=1S/C5H8O/c1-2-5-4(1)3-6-5/h4-5H,1-3H2/t4-,5-/m1/s1","InChI=1S/C5H8O/c6-4-5-2-1-3-5/h2,6H,1,3-4H2",106.59591,-10.31758,
4748,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C@@:3]2([H:11])[O:4][C:5]([H:12])([H:13])[C@@:6]12[H:14],[C:1]1([H:7])([H:8])[C@:2]2([H:9])[C:3]([H:10])([H:11])[C@@:6]1([H:14])[C:5]([H:12])([H:13])[O:4]2,"InChI=1S/C5H8O/c1-2-5-4(1)3-6-5/h4-5H,1-3H2/t4-,5-/m1/s1","InChI=1S/C5H8O/c1-4-2-5(1)6-3-4/h4-5H,1-3H2/t4-,5+",76.04118000000001,-8.64381,
4749,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C@@:3]2([H:11])[O:4][C:5]([H:12])([H:13])[C@@:6]12[H:14],[C:1]([C:2]([H:9])([H:10])[H:11])([C@@:6]1([H:14])[C-:3]=[O+:4][C:5]1([H:12])[H:13])([H:7])[H:8],"InChI=1S/C5H8O/c1-2-5-4(1)3-6-5/h4-5H,1-3H2/t4-,5-/m1/s1","InChI=1S/C5H8O/c1-2-5-3-6-4-5/h5H,2-3H2,1H3/t5-/m1/s1",56.92909,34.7404,
4750,[C:1]([N:2]([C:3]([H:9])([H:10])[H:11])[C:4](=[O:5])[H:12])([H:6])([H:7])[H:8],[C:1]([N:2]=[C:3]([H:9])[H:11])([H:6])([H:7])[H:8].[C:4](=[O:5])([H:10])[H:12],"InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3","InChI=1S/C2H5N.CH2O/c1-3-2;1-2/h1H2,2H3;1H2",81.42367,39.88211,
4751,[C:1]([N:2]([C:3]([H:9])([H:10])[H:11])[C:4](=[O:5])[H:12])([H:6])([H:7])[H:8],[C:1]([O:5]/[C:4](=[N:2]/[C:3]([H:9])([H:10])[H:11])[H:12])([H:6])([H:7])[H:8],"InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3","InChI=1S/C3H7NO/c1-4-3-5-2/h3H,1-2H3/b4-3+",63.22906,16.61476,ketoenol
4752,[C:1]([N:2]([C:3]([H:9])([H:10])[H:11])[C:4](=[O:5])[H:12])([H:6])([H:7])[H:8],[C:1]([N+:2]([C-:3]([H:9])[H:11])([C:4](=[O:5])[H:12])[H:10])([H:6])([H:7])[H:8],"InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3","InChI=1S/C3H7NO/c1-4(2)3-5/h3-4H,1H2,2H3",89.75304,72.61392,
4753,[C:1]([N:2]([C:3]([H:9])([H:10])[H:11])[C:4](=[O:5])[H:12])([H:6])([H:7])[H:8],[C-:4]#[O+:5].[C:1]([N:2]([C:3]([H:9])([H:10])[H:11])[H:12])([H:6])([H:7])[H:8],"InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3","InChI=1S/C2H7N.CO/c1-3-2;1-2/h3H,1-2H3;",74.44995,17.380979999999997,"1,2_Insertion_CO"
4754,[C:1]([C:2]1([C:3]([O:4][H:12])([H:10])[H:11])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([C:2][C:6]([C:5]([C:3]([O:4][H:12])([H:10])[H:11])([H:13])[H:14])([H:15])[H:16])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-5(4-6)2-3-5/h6H,2-4H2,1H3","InChI=1S/C5H10O/c1-2-3-4-5-6/h6H,3-5H2,1H3",93.49311,72.42839000000001,
4755,[C:1]([C:2]1([C:3]([O:4][H:12])([H:10])[H:11])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1](/[C:2](=[C:3](\[O:4][H:12])[H:11])[H:10])([H:7])([H:8])[H:9].[C:5](=[C:6]([H:15])[H:16])([H:13])[H:14],"InChI=1S/C5H10O/c1-5(4-6)2-3-5/h6H,2-4H2,1H3","InChI=1S/C3H6O.C2H4/c1-2-3-4;1-2/h2-4H,1H3;1-2H2/b3-2-;",87.34783,12.3837,
4756,[C:1]([C:2]1([C:3]([O:4][H:12])([H:10])[H:11])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([C:2]1=[C:6]([H:15])[C:5]1([H:13])[H:14])([H:7])([H:8])[H:9].[C:3](=[O:4])([H:10])[H:11].[H:12][H:16],"InChI=1S/C5H10O/c1-5(4-6)2-3-5/h6H,2-4H2,1H3","InChI=1S/C4H6.CH2O.H2/c1-4-2-3-4;1-2;/h2H,3H2,1H3;1H2;1H",77.69794,69.10131,
4757,[C:1]([C:2]1([C:3]([O:4][H:12])([H:10])[H:11])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1](/[C:2](=[C:3](\[O:4][H:12])[H:11])[C:5](=[C:6]([H:15])[H:16])[H:14])([H:7])([H:8])[H:9].[H:10][H:13],"InChI=1S/C5H10O/c1-5(4-6)2-3-5/h6H,2-4H2,1H3","InChI=1S/C5H8O.H2/c1-3-5(2)4-6;/h3-4,6H,1H2,2H3;1H/b5-4+;",85.88714,15.36324,
4758,[C:1]([C:2]1([C:3]([O:4][H:12])([H:10])[H:11])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([C:2]1([H:10])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9].[C:3]([O:4][H:12])[H:11],"InChI=1S/C5H10O/c1-5(4-6)2-3-5/h6H,2-4H2,1H3","InChI=1S/C4H8.CH2O/c1-4-2-3-4;1-2/h4H,2-3H2,1H3;1-2H",74.21583000000001,74.9516,
4759,[C:1]([C:2]1([C:3]([O:4][H:12])([H:10])[H:11])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]1([H:7])([H:8])[C:2]2([C:3]1([H:10])[H:11])[C:5]([H:13])([H:14])[C:6]2([H:15])[H:16].[O:4]([H:9])[H:12],"InChI=1S/C5H10O/c1-5(4-6)2-3-5/h6H,2-4H2,1H3",InChI=1S/C5H8.H2O/c1-2-5(1)3-4-5;/h1-4H2;1H2,87.35585,26.21057,
4760,[C:1]([C:2]1([C:3]([O:4][H:12])([H:10])[H:11])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([C:2]1([O:4][H:12])[C:3]([H:10])([H:11])[C:6]([H:15])([H:16])[C:5]1([H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-5(4-6)2-3-5/h6H,2-4H2,1H3","InChI=1S/C5H10O/c1-5(6)3-2-4-5/h6H,2-4H2,1H3",75.04642,-4.46265,
4761,[C:1]([C:2]1([C:3]([O:4][H:12])([H:10])[H:11])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1](=[C:2]([C:3]([O:4][H:12])([H:10])[H:11])[H:9])([H:7])[H:8].[C:5](=[C:6]([H:15])[H:16])([H:13])[H:14],"InChI=1S/C5H10O/c1-5(4-6)2-3-5/h6H,2-4H2,1H3","InChI=1S/C3H6O.C2H4/c1-2-3-4;1-2/h2,4H,1,3H2;1-2H2",91.89336,22.60688,
4762,[C:1]([C:2]1([C:3]([O:4][H:12])([H:10])[H:11])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:15].[C:2]1([C:3]([O:4][H:12])([H:10])[H:11])=[C:6]([H:16])[C:5]1([H:13])[H:14],"InChI=1S/C5H10O/c1-5(4-6)2-3-5/h6H,2-4H2,1H3","InChI=1S/C4H6O.CH4/c5-3-4-1-2-4;/h1,5H,2-3H2;1H4",114.18978999999999,42.07714,
4763,[C:1]([C:2]1([C:3]([O:4][H:12])([H:10])[H:11])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([C:2]1([C:3](=[O:4])[H:11])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9].[H:10][H:12],"InChI=1S/C5H10O/c1-5(4-6)2-3-5/h6H,2-4H2,1H3","InChI=1S/C5H8O.H2/c1-5(4-6)2-3-5;/h4H,2-3H2,1H3;1H",82.49384,15.3737,
4764,[C:1]([C:2]1([C:3]([O:4][H:12])([H:10])[H:11])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1](/[C:2](=[C:3](\[O:4][H:12])[H:11])[C:5]([C:6]([H:10])([H:15])[H:16])([H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-5(4-6)2-3-5/h6H,2-4H2,1H3","InChI=1S/C5H10O/c1-3-5(2)4-6/h4,6H,3H2,1-2H3/b5-4+",61.521730000000005,-11.84229,
4765,[C:1]([C:2]1([C:3]([O:4][H:12])([H:10])[H:11])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([C:2]1([O:4][H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9].[C:3]([H:10])[H:11],"InChI=1S/C5H10O/c1-5(4-6)2-3-5/h6H,2-4H2,1H3","InChI=1S/C4H8O.CH2/c1-4(5)2-3-4;/h5H,2-3H2,1H3;1H2",117.41658000000001,118.94487,
4766,[N:1]#[C:2][C@@:3]1([H:6])[C:4]([H:7])([H:8])[N:5]1[H:9],[N:1]1=[C:2]=[C:3]([H:6])[C:4]([H:7])([H:8])[N:5]1[H:9],"InChI=1S/C3H4N2/c4-1-3-2-5-3/h3,5H,2H2/t3-/m0/s1","InChI=1S/C3H4N2/c1-2-4-5-3-1/h1,4H,2H2",75.5274,61.79841999999999,
4767,[N:1]#[C:2][C@@:3]1([H:6])[C:4]([H:7])([H:8])[N:5]1[H:9],[N:1]#[C:2][C-:3]1[C:4]([H:7])([H:8])[N+:5]1([H:6])[H:9],"InChI=1S/C3H4N2/c4-1-3-2-5-3/h3,5H,2H2/t3-/m0/s1","InChI=1S/C3H4N2/c4-1-3-2-5-3/h2,5H2",55.708659999999995,42.0592,
4768,[N:1]#[C:2][C@@:3]1([H:6])[C:4]([H:7])([H:8])[N:5]1[H:9],[N:1]#[C:2][C:3]([N:5]=[C:4]([H:7])[H:8])([H:6])[H:9],"InChI=1S/C3H4N2/c4-1-3-2-5-3/h3,5H,2H2/t3-/m0/s1","InChI=1S/C3H4N2/c1-5-3-2-4/h1,3H2",68.25712,-9.676810000000001,
4769,[N:1]#[C:2][C@@:3]1([H:6])[C:4]([H:7])([H:8])[N:5]1[H:9],[N:1]#[C:2]/[C:3](=[N:5]/[C:4]([H:7])([H:8])[H:9])[H:6],"InChI=1S/C3H4N2/c4-1-3-2-5-3/h3,5H,2H2/t3-/m0/s1","InChI=1S/C3H4N2/c1-5-3-2-4/h3H,1H3/b5-3+",64.60122,-11.25432,
4770,[N:1]#[C:2][C@@:3]1([H:6])[C:4]([H:7])([H:8])[N:5]1[H:9],[N:1]#[C:2][C:3]([N:5]([C:4][H:7])[H:9])([H:6])[H:8],"InChI=1S/C3H4N2/c4-1-3-2-5-3/h3,5H,2H2/t3-/m0/s1","InChI=1S/C3H4N2/c1-5-3-2-4/h1,5H,3H2",75.4248,35.344770000000004,
4771,[N:1]#[C:2][C@@:3]1([H:6])[C:4]([H:7])([H:8])[N:5]1[H:9],[N-:1]=[C:2]=[C:3]([N:5]([C+:4]([H:7])[H:8])[H:9])[H:6],"InChI=1S/C3H4N2/c4-1-3-2-5-3/h3,5H,2H2/t3-/m0/s1","InChI=1S/C3H4N2/c1-5-3-2-4/h3,5H,1H2",32.61159,6.33029,
4772,[N:1]#[C:2][C@@:3]1([H:6])[C:4]([H:7])([H:8])[N:5]1[H:9],[N:1]#[C:2][C@@:3]1([H:6])[C-:4]([H:8])[N+:5]1([H:7])[H:9],"InChI=1S/C3H4N2/c4-1-3-2-5-3/h3,5H,2H2/t3-/m0/s1","InChI=1S/C3H4N2/c4-1-3-2-5-3/h2-3H,5H2/t3-/m0/s1",65.05433000000001,53.77844,
4773,[N:1]#[C:2][C@@:3]1([H:6])[C:4]([H:7])([H:8])[N:5]1[H:9],[N+:1](#[C-:2])[C@@:3]1([H:6])[C:4]([H:7])([H:8])[N:5]1[H:9],"InChI=1S/C3H4N2/c4-1-3-2-5-3/h3,5H,2H2/t3-/m0/s1","InChI=1S/C3H4N2/c1-4-3-2-5-3/h3,5H,2H2/t3-/m1/s1",58.88364,25.20784,
4774,[N:1]#[C:2][C@@:3]1([H:6])[C:4]([H:7])([H:8])[N:5]1[H:9],[N:1](=[C-:2][C@@:3]1([H:6])[C+:4]([H:8])[N:5]1[H:9])[H:7],"InChI=1S/C3H4N2/c4-1-3-2-5-3/h3,5H,2H2/t3-/m0/s1",InChI=1S/C3H4N2/c4-1-3-2-5-3/h2-5H/t3-/m0/s1,124.20026999999999,75.35477,
4775,[N:1]#[C:2][C@@:3]1([H:6])[C:4]([H:7])([H:8])[N:5]1[H:9],[N-:1]=[C:2]=[C+:3][N:5]([C:4]([H:6])([H:7])[H:8])[H:9],"InChI=1S/C3H4N2/c4-1-3-2-5-3/h3,5H,2H2/t3-/m0/s1","InChI=1S/C3H4N2/c1-5-3-2-4/h5H,1H3",69.79613,15.88463,
4776,[N:1]#[C:2][C@@:3]1([H:6])[C:4]([H:7])([H:8])[N:5]1[H:9],[N:1](=[C:2]=[C:3]1[C:4]([H:7])([H:8])[N:5]1[H:9])[H:6],"InChI=1S/C3H4N2/c4-1-3-2-5-3/h3,5H,2H2/t3-/m0/s1","InChI=1S/C3H4N2/c4-1-3-2-5-3/h4-5H,2H2",102.26264,29.24563,
4777,[N:1]#[C:2][C@@:3]1([H:6])[C:4]([H:7])([H:8])[N:5]1[H:9],[N:1]1([H:8])[C:2][C@@:3]2([H:6])[C@:4]1([H:7])[N:5]2[H:9],"InChI=1S/C3H4N2/c4-1-3-2-5-3/h3,5H,2H2/t3-/m0/s1","InChI=1S/C3H4N2/c1-2-3(4-1)5-2/h2-5H/t2-,3-/m0/s1",109.26513,78.81206999999999,
4778,[C:1]([C@@:2]([O:3][H:11])([C:4]([C:5]#[C:6][H:14])([H:12])[H:13])[H:10])([H:7])([H:8])[H:9],[C:1]([C+:2]([O:3][H:11])[C:4]([C-:5]=[C:6]([H:10])[H:14])([H:12])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-3-4-5(2)6/h1,5-6H,4H2,2H3/t5-/m1/s1","InChI=1S/C5H8O/c1-3-4-5(2)6/h6H,1,4H2,2H3",60.96325,50.74576,
4779,[C:1]([C@@:2]([O:3][H:11])([C:4]([C:5]#[C:6][H:14])([H:12])[H:13])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2](=[O:3])[H:10])([H:7])([H:8])[H:9].[C:4](=[C:5]=[C:6]([H:11])[H:14])([H:12])[H:13],"InChI=1S/C5H8O/c1-3-4-5(2)6/h1,5-6H,4H2,2H3/t5-/m1/s1","InChI=1S/C3H4.C2H4O/c1-3-2;1-2-3/h1-2H2;2H,1H3",25.57848,7.20707,Retroene
4780,[C:1]([C@@:2]([O:3][H:11])([C:4]([C:5]#[C:6][H:14])([H:12])[H:13])[H:10])([H:7])([H:8])[H:9],[C:1](=[C:2]([O:3][H:11])[C:4]([C:5]#[C:6][H:14])([H:12])[H:13])([H:7])[H:9].[H:8][H:10],"InChI=1S/C5H8O/c1-3-4-5(2)6/h1,5-6H,4H2,2H3/t5-/m1/s1","InChI=1S/C5H6O.H2/c1-3-4-5(2)6;/h1,6H,2,4H2;1H",98.8759,26.3943,
4781,[C:1]([C@@:2]([O:3][H:11])([C:4]([C:5]#[C:6][H:14])([H:12])[H:13])[H:10])([H:7])([H:8])[H:9],[C:1]([C@@:2]([O:3][H:11])([C:4]([C:6](=[C:5])[H:14])([H:12])[H:13])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-3-4-5(2)6/h1,5-6H,4H2,2H3/t5-/m1/s1","InChI=1S/C5H8O/c1-3-4-5(2)6/h3,5-6H,4H2,2H3/t5-/m1/s1",57.513369999999995,53.399069999999995,Singlet_Carbene_Intra_Disproportionation
4782,[C:1]([C@@:2]([O:3][H:11])([C:4]([C:5]#[C:6][H:14])([H:12])[H:13])[H:10])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[O:3][C:5](=[C:6]([H:11])[H:14])[C:4]1([H:12])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-3-4-5(2)6/h1,5-6H,4H2,2H3/t5-/m1/s1","InChI=1S/C5H8O/c1-4-3-5(2)6-4/h5H,1,3H2,2H3/t5-/m1/s1",64.50524,-10.6507,
4783,[C:1]([C@@:2]([O:3][H:11])([C:4]([C:5]#[C:6][H:14])([H:12])[H:13])[H:10])([H:7])([H:8])[H:9],[C:1]([C@@:2]([O:3][H:11])(/[C:4](=[C:5](/[C:6][H:14])[H:12])[H:13])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-3-4-5(2)6/h1,5-6H,4H2,2H3/t5-/m1/s1","InChI=1S/C5H8O/c1-3-4-5(2)6/h1,3-6H,2H3/b4-3+/t5-/m1/s1",66.87753000000001,59.476519999999994,
4784,[C:1]([C@@:2]([O:3][H:11])([C:4]([C:5]#[C:6][H:14])([H:12])[H:13])[H:10])([H:7])([H:8])[H:9],[C:1]([C@:2]1([H:10])[C:4]([H:12])([H:13])/[C:5]1=[C:6](/[O:3][H:11])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-3-4-5(2)6/h1,5-6H,4H2,2H3/t5-/m1/s1","InChI=1S/C5H8O/c1-4-2-5(4)3-6/h3-4,6H,2H2,1H3/b5-3-/t4-/m1/s1",60.95466999999999,-0.05764,
4785,[C:1]([C@@:2]([O:3][H:11])([C:4]([C:5]#[C:6][H:14])([H:12])[H:13])[H:10])([H:7])([H:8])[H:9],[C:1](/[C:2](=[C:4](/[C:5]#[C:6][H:14])[H:13])[H:10])([H:7])([H:8])[H:9].[O:3]([H:11])[H:12],"InChI=1S/C5H8O/c1-3-4-5(2)6/h1,5-6H,4H2,2H3/t5-/m1/s1","InChI=1S/C5H6.H2O/c1-3-5-4-2;/h1,4-5H,2H3;1H2/b5-4+;",54.756269999999994,9.18943,"1,3_Insertion_ROR"
4786,[C:1]([C@@:2]([O:3][H:11])([C:4]([C:5]#[C:6][H:14])([H:12])[H:13])[H:10])([H:7])([H:8])[H:9],[C:1](=[C:2]([C:4]([C:5]#[C:6][H:14])([H:12])[H:13])[H:10])([H:7])[H:9].[O:3]([H:8])[H:11],"InChI=1S/C5H8O/c1-3-4-5(2)6/h1,5-6H,4H2,2H3/t5-/m1/s1","InChI=1S/C5H6.H2O/c1-3-5-4-2;/h1,4H,2,5H2;1H2",61.948269999999994,17.17463,"1,3_Insertion_ROR"
4787,[C:1]([C@@:2]([O:3][H:11])([C:4]([C:5]#[C:6][H:14])([H:12])[H:13])[H:10])([H:7])([H:8])[H:9],[C:1]([C@@:2]([O:3][H:11])([C:4](=[C:5]=[C:6]([H:12])[H:14])[H:13])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-3-4-5(2)6/h1,5-6H,4H2,2H3/t5-/m1/s1","InChI=1S/C5H8O/c1-3-4-5(2)6/h4-6H,1H2,2H3/t5-/m1/s1",79.19358000000001,-4.482469999999999,
4788,[C:1]([C@@:2]([O:3][H:11])([C:4]([C:5]#[C:6][H:14])([H:12])[H:13])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:4]([H:12])[H:13])[H:10])([H:7])([H:8])[H:9].[O:3]([C:5]#[C:6][H:14])[H:11],"InChI=1S/C5H8O/c1-3-4-5(2)6/h1,5-6H,4H2,2H3/t5-/m1/s1","InChI=1S/C3H6.C2H2O/c1-3-2;1-2-3/h3H,1H2,2H3;1,3H",69.87171,29.48815,
4789,[C:1]([C@@:2]([O:3][H:11])([C:4]([C:5]#[C:6][H:14])([H:12])[H:13])[H:10])([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:10].[C:2]([O:3][H:11])[C:4]([C:5]#[C:6][H:14])([H:12])[H:13],"InChI=1S/C5H8O/c1-3-4-5(2)6/h1,5-6H,4H2,2H3/t5-/m1/s1","InChI=1S/C4H4O.CH4/c1-2-3-4-5;/h1,5H,3H2;1H4",76.29377,67.25097,
4790,[C:1](#[C:2][C:3]([C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)([H:8])[H:9])[H:7],[C:1](#[C:2][C:4](=[C:3]([H:8])[H:9])[H:10])[H:7].[C:5](=[O:6])([H:11])[H:12],"InChI=1S/C5H6O/c1-2-3-5-4-6-5/h1,5H,3-4H2/t5-/m0/s1","InChI=1S/C4H4.CH2O/c1-3-4-2;1-2/h1,4H,2H2;1H2",63.77131,2.8831900000000004,
4791,[C:1](#[C:2][C:3]([C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)([H:8])[H:9])[H:7],[C-:4]1=[O+:6][C:5]1([H:11])[H:12].[C:1](=[C:2]=[C:3]([H:8])[H:9])([H:7])[H:10],"InChI=1S/C5H6O/c1-2-3-5-4-6-5/h1,5H,3-4H2/t5-/m0/s1",InChI=1S/C3H4.C2H2O/c1-3-2;1-2-3-1/h1-2H2;1H2,61.17703,52.9565,
4792,[C:1](#[C:2][C:3]([C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)([H:8])[H:9])[H:7],[C:1](#[C:2]/[C:3](=[C:4](/[C:5]([O:6][H:8])([H:11])[H:12])[H:10])[H:9])[H:7],"InChI=1S/C5H6O/c1-2-3-5-4-6-5/h1,5H,3-4H2/t5-/m0/s1","InChI=1S/C5H6O/c1-2-3-4-5-6/h1,3-4,6H,5H2/b4-3+",49.73195,-16.279139999999998,
4793,[C:1](#[C:2][C:3]([C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)([H:8])[H:9])[H:7],[C:1](#[C:2][C:3]([C:4]([O+:6]=[C-:5][H:12])([H:10])[H:11])([H:8])[H:9])[H:7],"InChI=1S/C5H6O/c1-2-3-5-4-6-5/h1,5H,3-4H2/t5-/m0/s1","InChI=1S/C5H6O/c1-3-4-5-6-2/h1-2H,4-5H2",75.79817,47.63177,
4794,[C:1](#[C:2][C:3]([C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)([H:8])[H:9])[H:7],[C:1](=[C:2])([C:3]([C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)([H:8])[H:9])[H:7],"InChI=1S/C5H6O/c1-2-3-5-4-6-5/h1,5H,3-4H2/t5-/m0/s1","InChI=1S/C5H6O/c1-2-3-5-4-6-5/h2,5H,3-4H2/t5-/m0/s1",58.16013,52.44599,Singlet_Carbene_Intra_Disproportionation
4795,[C:1](#[C:2][C:3]([C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)([H:8])[H:9])[H:7],[C:1](=[C-:2][C:3]([C:4]1=[O+:6][C:5]1([H:11])[H:12])([H:8])[H:9])([H:7])[H:10],"InChI=1S/C5H6O/c1-2-3-5-4-6-5/h1,5H,3-4H2/t5-/m0/s1","InChI=1S/C5H6O/c1-2-3-5-4-6-5/h1,3-4H2",61.17585,45.703070000000004,
4796,[C:1](#[C:2][C:3]([C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)([H:8])[H:9])[H:7],[C-:1](=[C:2]([C:3]([C@@:4]1([H:10])[C:5]([H:11])=[O+:6]1)([H:8])[H:9])[H:12])[H:7],"InChI=1S/C5H6O/c1-2-3-5-4-6-5/h1,5H,3-4H2/t5-/m0/s1","InChI=1S/C5H6O/c1-2-3-5-4-6-5/h1-2,4-5H,3H2/t5-/m0/s1",103.52811,66.4618,
4797,[C:1](#[C:2][C:3]([C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)([H:8])[H:9])[H:7],[C:1]1([H:7])=[C-:2][C:3]([H:8])([H:9])[C:4]([H:10])=[O+:6][C:5]1([H:11])[H:12],"InChI=1S/C5H6O/c1-2-3-5-4-6-5/h1,5H,3-4H2/t5-/m0/s1","InChI=1S/C5H6O/c1-2-4-6-5-3-1/h2,5H,3-4H2",82.82559,23.15897,
4798,[C:1](#[C:2][C:3]([C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)([H:8])[H:9])[H:7],[C:1](=[C:2]=[C:3]([H:8])[H:9])([C:5]([C:4](=[O:6])[H:10])([H:11])[H:12])[H:7],"InChI=1S/C5H6O/c1-2-3-5-4-6-5/h1,5H,3-4H2/t5-/m0/s1","InChI=1S/C5H6O/c1-2-3-4-5-6/h3,5H,1,4H2",44.3605,-27.68603,
4799,[C:1](#[C:2][C:3]([C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)([H:8])[H:9])[H:7],[C:1](#[C:2][C:3]([C-:4]=[O+:6][C:5]([H:10])([H:11])[H:12])([H:8])[H:9])[H:7],"InChI=1S/C5H6O/c1-2-3-5-4-6-5/h1,5H,3-4H2/t5-/m0/s1","InChI=1S/C5H6O/c1-3-4-5-6-2/h1H,4H2,2H3",72.7265,41.94319,
4800,[C:1](#[C:2][C:3]([C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)([H:8])[H:9])[H:7],[C:1]1([H:7])=[C:2]2[C:3]([H:8])([H:9])[C@:4]12[H:10].[C:5](=[O:6])([H:11])[H:12],"InChI=1S/C5H6O/c1-2-3-5-4-6-5/h1,5H,3-4H2/t5-/m0/s1","InChI=1S/C4H4.CH2O/c1-3-2-4(1)3;1-2/h1,3H,2H2;1H2/t3-;/m0./s1",60.9619,45.23888,
4801,[C:1](#[C:2][C:3]([C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)([H:8])[H:9])[H:7],[C:1](/[C:2](=[C:3](\[C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)[H:9])[H:8])[H:7],"InChI=1S/C5H6O/c1-2-3-5-4-6-5/h1,5H,3-4H2/t5-/m0/s1","InChI=1S/C5H6O/c1-2-3-5-4-6-5/h1-3,5H,4H2/b3-2-/t5-/m0/s1",63.350030000000004,55.40478,
4802,[C:1](#[C:2][C:3]([C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)([H:8])[H:9])[H:7],[C:1](=[C-:2][C:3]([C@@:4]1([H:10])[C:5]([H:11])=[O+:6]1)([H:8])[H:9])([H:7])[H:12],"InChI=1S/C5H6O/c1-2-3-5-4-6-5/h1,5H,3-4H2/t5-/m0/s1","InChI=1S/C5H6O/c1-2-3-5-4-6-5/h4-5H,1,3H2/t5-/m0/s1",76.64844000000001,76.58039000000001,
4803,[C:1](#[C:2][C:3]([C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)([H:8])[H:9])[H:7],[C:1]1([H:7])=[C:2]([C:3]([C:4](=[O:6])[H:10])([H:8])[H:9])[C:5]1([H:11])[H:12],"InChI=1S/C5H6O/c1-2-3-5-4-6-5/h1,5H,3-4H2/t5-/m0/s1","InChI=1S/C5H6O/c6-4-3-5-1-2-5/h1,4H,2-3H2",53.40923000000001,-7.461469999999999,
4804,[O:1]([N:2]=[C:3]1[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])[H:7],[O:1]([N:2]1[C:3]([C:4]([C:5]([H:10])([H:11])[H:12])([H:8])[H:9])=[C:6]1[H:13])[H:7],"InChI=1S/C4H7NO/c6-5-4-2-1-3-4/h6H,1-3H2","InChI=1S/C4H7NO/c1-2-4-3-5(4)6/h3,6H,2H2,1H3",67.40321999999999,42.97603,
4805,[O:1]([N:2]=[C:3]1[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])[H:7],[O:1]([N:2]1[C:3](=[C:4]([H:8])[H:9])[C:6]([H:12])([H:13])[C:5]1([H:10])[H:11])[H:7],"InChI=1S/C4H7NO/c6-5-4-2-1-3-4/h6H,1-3H2","InChI=1S/C4H7NO/c1-4-2-3-5(4)6/h6H,1-3H2",52.63434,14.98681,
4806,[O:1]([N:2]=[C:3]1[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])[H:7],[O:1]=[N:2][C:3]1([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13],"InChI=1S/C4H7NO/c6-5-4-2-1-3-4/h6H,1-3H2","InChI=1S/C4H7NO/c6-5-4-2-1-3-4/h4H,1-3H2",65.39413,21.71019,ketoenol
4807,[O:1]([N:2]=[C:3]1[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])[H:7],[O:1]([N:2]([C+:3]1[C:4]([H:8])([H:9])[C-:5]([H:10])[C:6]1([H:12])[H:13])[H:11])[H:7],"InChI=1S/C4H7NO/c6-5-4-2-1-3-4/h6H,1-3H2","InChI=1S/C4H7NO/c6-5-4-2-1-3-4/h1,5-6H,2-3H2",90.42237,84.75223000000001,
4808,[O:1]([N:2]=[C:3]1[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])[H:7],[H:7][H:9].[O:1]=[N:2][C:3]1=[C:4]([H:8])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13],"InChI=1S/C4H7NO/c6-5-4-2-1-3-4/h6H,1-3H2","InChI=1S/C4H5NO.H2/c6-5-4-2-1-3-4;/h2H,1,3H2;1H",57.08706,52.2377,
4809,[O:1]([N:2]=[C:3]1[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])[H:7],[O:1]([C:3]1=[N:2][C:6]([H:12])([H:13])[C:5]([H:10])([H:11])[C:4]1([H:8])[H:9])[H:7],"InChI=1S/C4H7NO/c6-5-4-2-1-3-4/h6H,1-3H2","InChI=1S/C4H7NO/c6-4-2-1-3-5-4/h1-3H2,(H,5,6)",63.08653,-53.73819,
4810,[O:1]([N:2]=[C:3]1[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])[H:7],[O:1]([N:2]([C:3]1=[C:4]([H:8])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])[H:9])[H:7],"InChI=1S/C4H7NO/c6-5-4-2-1-3-4/h6H,1-3H2","InChI=1S/C4H7NO/c6-5-4-2-1-3-4/h2,5-6H,1,3H2",72.27127,17.058329999999998,
4811,[O:1]([N:2]=[C:3]1[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])[H:7],[O-:1][N:2]([C+:3]1[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])[H:7],"InChI=1S/C4H7NO/c6-5-4-2-1-3-4/h6H,1-3H2","InChI=1S/C4H7NO/c6-5-4-2-1-3-4/h5H,1-3H2",49.225120000000004,15.927389999999999,
4812,[O:1]([N:2]=[C:3]1[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])[H:7],[H:7][H:10].[O:1]=[N:2][C:3]12[C:4]([H:8])([H:9])[C:5]1([H:11])[C:6]2([H:12])[H:13],"InChI=1S/C4H7NO/c6-5-4-2-1-3-4/h6H,1-3H2","InChI=1S/C4H5NO.H2/c6-5-4-1-3(4)2-4;/h3H,1-2H2;1H",89.65908,61.47416,
4813,[O:1]([N:2]=[C:3]1[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])[H:7],[C:5](=[C:6]([H:12])[H:13])([H:10])[H:11].[O:1]([C:4]([C:3]#[N:2])([H:8])[H:9])[H:7],"InChI=1S/C4H7NO/c6-5-4-2-1-3-4/h6H,1-3H2","InChI=1S/C2H3NO.C2H4/c3-1-2-4;1-2/h4H,2H2;1-2H2",86.05544,-15.26326,
4814,[O:1]([N:2]=[C:3]1[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])[H:7],[O:1](/[N:2]=[C:3](\[C:4]([C:5][H:11])([H:8])[H:9])[C:6]([H:10])([H:12])[H:13])[H:7],"InChI=1S/C4H7NO/c6-5-4-2-1-3-4/h6H,1-3H2","InChI=1S/C4H7NO/c1-3-4(2)5-6/h1,6H,3H2,2H3/b5-4-",76.64115,75.15954,
4815,[O:1]([N:2]=[C:3]1[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])[H:7],[O:1](/[N:2]=[C:3](\[C:4][H:8])[C:6]([C:5]([H:9])([H:10])[H:11])([H:12])[H:13])[H:7],"InChI=1S/C4H7NO/c6-5-4-2-1-3-4/h6H,1-3H2","InChI=1S/C4H7NO/c1-3-4(2)5-6/h2,6H,3H2,1H3/b5-4+",70.68489,72.36058,
4816,[O:1]([N:2]=[C:3]1[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])[H:7],[C:5](=[C:6]([H:12])[H:13])([H:10])[H:11].[O:1]([N:2]=[C:3]=[C:4]([H:8])[H:9])[H:7],"InChI=1S/C4H7NO/c6-5-4-2-1-3-4/h6H,1-3H2","InChI=1S/C2H3NO.C2H4/c1-2-3-4;1-2/h4H,1H2;1-2H2",56.61821,34.16783,
4817,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C@@:4]2([H:9])[N:5]([H:10])[C@@:6]12[H:11],[O-:1][C:6](=[C+:2][C:3](/[C:4](=[N:5]\[H:10])[H:9])([H:7])[H:8])[H:11],"InChI=1S/C4H5NO/c6-3-1-2-4(3)5-2/h2,4-5H,1H2/t2-,4-/m1/s1","InChI=1S/C4H5NO/c5-3-1-2-4-6/h3-5H,1H2/b5-3-",56.284659999999995,47.884029999999996,
4818,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C@@:4]2([H:9])[N:5]([H:10])[C@@:6]12[H:11],[O:1]=[C:2]([C:3]([C@@:4]1([H:9])[N:5]=[C:6]1[H:11])([H:7])[H:8])[H:10],"InChI=1S/C4H5NO/c6-3-1-2-4(3)5-2/h2,4-5H,1H2/t2-,4-/m1/s1","InChI=1S/C4H5NO/c6-2-1-4-3-5-4/h2-4H,1H2/t4-/m1/s1",68.50328,10.24244,
4819,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C@@:4]2([H:9])[N:5]([H:10])[C@@:6]12[H:11],[O:1]=[C:2]1[C:3]([H:7])([H:8])[C@:4]1([N:5]([C:6][H:11])[H:10])[H:9],"InChI=1S/C4H5NO/c6-3-1-2-4(3)5-2/h2,4-5H,1H2/t2-,4-/m1/s1","InChI=1S/C4H5NO/c1-5-3-2-4(3)6/h1,3,5H,2H2/t3-/m1/s1",79.07699000000001,52.71122,
4820,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C@@:4]2([H:9])[N:5]([H:10])[C@@:6]12[H:11],[O:1]=[C:2]1[C:3]([H:7])([H:8])[N+:5]2([H:10])[C-:4]([H:9])[C@:6]12[H:11],"InChI=1S/C4H5NO/c6-3-1-2-4(3)5-2/h2,4-5H,1H2/t2-,4-/m1/s1","InChI=1S/C4H5NO/c6-4-2-5-1-3(4)5/h1,3,5H,2H2/t3-/m1/s1",99.35566,60.96436,
4821,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C@@:4]2([H:9])[N:5]([H:10])[C@@:6]12[H:11],[O:1]=[C:2]1[C:3]([H:7])([H:8])[C@@:4]2([H:9])[N+:5]1([H:10])[C-:6]2[H:11],"InChI=1S/C4H5NO/c6-3-1-2-4(3)5-2/h2,4-5H,1H2/t2-,4-/m1/s1","InChI=1S/C4H5NO/c6-4-1-3-2-5(3)4/h2-3,5H,1H2/t3-/m1/s1",51.39413,52.343540000000004,
4822,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C@@:4]2([H:9])[N:5]([H:10])[C@@:6]12[H:11],[C:3](=[C:4](/[C:6](=[N:5]\[H:10])[H:11])[H:9])([H:7])[H:8].[O+:1]#[C-:2],"InChI=1S/C4H5NO/c6-3-1-2-4(3)5-2/h2,4-5H,1H2/t2-,4-/m1/s1","InChI=1S/C3H5N.CO/c1-2-3-4;1-2/h2-4H,1H2;/b4-3-;",55.02482,-17.56415,
4823,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C@@:4]2([H:9])[N:5]([H:10])[C@@:6]12[H:11],[O:1]=[C:2]1[N:5]([H:10])[C@@:6]1([C:4](=[C:3]([H:7])[H:8])[H:9])[H:11],"InChI=1S/C4H5NO/c6-3-1-2-4(3)5-2/h2,4-5H,1H2/t2-,4-/m1/s1","InChI=1S/C4H5NO/c1-2-3-4(6)5-3/h2-3H,1H2,(H,5,6)/t3-/m1/s1",63.505269999999996,-1.25557,
4824,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C@@:4]2([H:9])[N:5]([H:10])[C@@:6]12[H:11],[O:1]([C:2]1=[C:6]2[C@@:4]([H:9])([C:3]1([H:7])[H:8])[N:5]2[H:10])[H:11],"InChI=1S/C4H5NO/c6-3-1-2-4(3)5-2/h2,4-5H,1H2/t2-,4-/m1/s1","InChI=1S/C4H5NO/c6-3-1-2-4(3)5-2/h2,5-6H,1H2/t2-/m1/s1",76.45643000000001,55.03856999999999,ketoenol
4825,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C@@:4]2([H:9])[N:5]([H:10])[C@@:6]12[H:11],[O:1]([C:2]1=[C:3]([H:8])[C@@:4]2([H:9])[N:5]([H:10])[C@@:6]12[H:11])[H:7],"InChI=1S/C4H5NO/c6-3-1-2-4(3)5-2/h2,4-5H,1H2/t2-,4-/m1/s1","InChI=1S/C4H5NO/c6-3-1-2-4(3)5-2/h1-2,4-6H/t2-,4-/m1/s1",74.83145999999999,24.96023,ketoenol
4826,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C@@:4]2([H:9])[N:5]([H:10])[C@@:6]12[H:11],[O:1]=[C:2]=[C:6]([N:5]([C:4](=[C:3]([H:7])[H:8])[H:9])[H:10])[H:11],"InChI=1S/C4H5NO/c6-3-1-2-4(3)5-2/h2,4-5H,1H2/t2-,4-/m1/s1","InChI=1S/C4H5NO/c1-2-5-3-4-6/h2-3,5H,1H2",17.85724,-8.0613,
4827,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C@@:4]2([H:9])[N:5]([H:10])[C@@:6]12[H:11],[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[N:5]=[C:6]1[H:11],"InChI=1S/C4H5NO/c6-3-1-2-4(3)5-2/h2,4-5H,1H2/t2-,4-/m1/s1","InChI=1S/C4H5NO/c6-4-1-2-5-3-4/h3H,1-2H2",60.17706,-34.12058,
4828,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C@@:4]2([H:9])[N:5]([H:10])[C@@:6]12[H:11],[O-:1][C:2]1=[C:6]2[C@@:4]([H:9])([C:3]1([H:7])[H:8])[N+:5]2([H:10])[H:11],"InChI=1S/C4H5NO/c6-3-1-2-4(3)5-2/h2,4-5H,1H2/t2-,4-/m1/s1","InChI=1S/C4H5NO/c6-3-1-2-4(3)5-2/h2,5-6H,1H2/t2-/m1/s1",61.7898,51.35568,
4829,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C@@:4]2([H:9])[N:5]([H:10])[C@@:6]12[H:11],[H:7][H:11].[O-:1][C:2]1=[C:3]([H:8])[C@@:4]2([H:9])[N:5]([H:10])[C+:6]12,"InChI=1S/C4H5NO/c6-3-1-2-4(3)5-2/h2,4-5H,1H2/t2-,4-/m1/s1","InChI=1S/C4H3NO.H2/c6-3-1-2-4(3)5-2;/h1-2,5H;1H/t2-;/m1./s1",107.92918,76.79978,
4830,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C@@:4]2([H:9])[N:5]([H:10])[C@@:6]12[H:11],[O:1]([C+:2]1[C:3]([H:7])([H:8])[C-:4]2[N:5]([H:10])[C@@:6]12[H:11])[H:9],"InChI=1S/C4H5NO/c6-3-1-2-4(3)5-2/h2,4-5H,1H2/t2-,4-/m1/s1","InChI=1S/C4H5NO/c6-3-1-2-4(3)5-2/h4-6H,1H2/t4-/m1/s1",92.6121,57.820890000000006,
4831,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C@@:4]2([H:9])[N:5]([H:10])[C@@:6]12[H:11],[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])=[N:5][C:6]1([H:10])[H:11],"InChI=1S/C4H5NO/c6-3-1-2-4(3)5-2/h2,4-5H,1H2/t2-,4-/m1/s1","InChI=1S/C4H5NO/c6-4-1-2-5-3-4/h2H,1,3H2",58.37296,-32.92864,
4832,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C@@:4]2([H:9])[N:5]([H:10])[C@@:6]12[H:11],[O:1]=[C:2]1[C:3]([H:7])([H:8])[C-:4]2[N+:5]([H:9])([H:10])[C@@:6]12[H:11],"InChI=1S/C4H5NO/c6-3-1-2-4(3)5-2/h2,4-5H,1H2/t2-,4-/m1/s1","InChI=1S/C4H5NO/c6-3-1-2-4(3)5-2/h4H,1,5H2/t4-/m1/s1",61.265440000000005,51.36222,
4833,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C@@:4]2([H:9])[N:5]([H:10])[C@@:6]12[H:11],[O:1]=[C:2]=[C:6]([C@@:4]1([H:9])[C:3]([H:7])([H:8])[N:5]1[H:10])[H:11],"InChI=1S/C4H5NO/c6-3-1-2-4(3)5-2/h2,4-5H,1H2/t2-,4-/m1/s1","InChI=1S/C4H5NO/c6-2-1-4-3-5-4/h1,4-5H,3H2/t4-/m0/s1",64.13141,-2.41405,
4834,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C@@:4]2([H:9])[N:5]([H:10])[C@@:6]12[H:11],[O:1]=[C:2]1[C:3]([H:7])([H:8])[C@:4]1(/[C:6](=[N:5]\[H:10])[H:11])[H:9],"InChI=1S/C4H5NO/c6-3-1-2-4(3)5-2/h2,4-5H,1H2/t2-,4-/m1/s1","InChI=1S/C4H5NO/c5-2-3-1-4(3)6/h2-3,5H,1H2/b5-2-/t3-/m0/s1",67.17086,-1.9106299999999998,
4835,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C@@:4]2([H:9])[N:5]([H:10])[C@@:6]12[H:11],[O-:1][C:2]1=[C+:6][N:5]([H:10])[C:4]([H:9])([H:11])[C:3]1([H:7])[H:8],"InChI=1S/C4H5NO/c6-3-1-2-4(3)5-2/h2,4-5H,1H2/t2-,4-/m1/s1","InChI=1S/C4H5NO/c6-4-1-2-5-3-4/h5H,1-2H2",67.71769,5.09362,
4836,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C@@:4]2([H:9])[N:5]([H:10])[C@@:6]12[H:11],[O-:1][C:2](=[C+:3][H:8])[C@@:6]1([H:11])[C:4]([H:7])([H:9])[N:5]1[H:10],"InChI=1S/C4H5NO/c6-3-1-2-4(3)5-2/h2,4-5H,1H2/t2-,4-/m1/s1","InChI=1S/C4H5NO/c1-3(6)4-2-5-4/h1,4-5H,2H2/t4-/m1/s1",70.77793,64.98564,
4837,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C@@:4]2([H:9])[N:5]([H:10])[C@@:6]12[H:11],[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4][N:5]([H:10])[C:6]1([H:9])[H:11],"InChI=1S/C4H5NO/c6-3-1-2-4(3)5-2/h2,4-5H,1H2/t2-,4-/m1/s1","InChI=1S/C4H5NO/c6-4-1-2-5-3-4/h5H,1,3H2",58.902930000000005,60.20033000000001,
4839,[C:1]([C:2](/[C:3](=[N:4]\[O:5][H:12])[C:6]([H:13])([H:14])[H:15])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([O:5][H:12])([H:10])[H:11])([H:7])([H:8])[H:9].[C:3](#[N:4])[C:6]([H:13])([H:14])[H:15],"InChI=1S/C4H9NO/c1-3-4(2)5-6/h6H,3H2,1-2H3/b5-4-","InChI=1S/C2H3N.C2H6O/c2*1-2-3/h1H3;3H,2H2,1H3",85.12581,-16.06221,
4840,[C:1]([C:2](/[C:3](=[N:4]\[O:5][H:12])[C:6]([H:13])([H:14])[H:15])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([H:10])([H:11])[H:15])([H:7])([H:8])[H:9].[C:3](=[N:4][O:5][H:12])=[C:6]([H:13])[H:14],"InChI=1S/C4H9NO/c1-3-4(2)5-6/h6H,3H2,1-2H3/b5-4-","InChI=1S/C2H3NO.C2H6/c1-2-3-4;1-2/h4H,1H2;1-2H3",106.17733999999999,35.25394,
4841,[C:1]([C:2](/[C:3](=[N:4]\[O:5][H:12])[C:6]([H:13])([H:14])[H:15])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C+:3]([N:4]([O-:5])[H:12])[C:6]([H:13])([H:14])[H:15])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-3-4(2)5-6/h6H,3H2,1-2H3/b5-4-","InChI=1S/C4H9NO/c1-3-4(2)5-6/h5H,3H2,1-2H3",47.06812,12.87238,
4842,[C:1]([C:2](/[C:3](=[N:4]\[O:5][H:12])[C:6]([H:13])([H:14])[H:15])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]([H:10])[H:11])([H:8])[H:9].[C:3](=[N:4][O:5][H:12])=[C:6]([H:13])[H:14].[H:7][H:15],"InChI=1S/C4H9NO/c1-3-4(2)5-6/h6H,3H2,1-2H3/b5-4-","InChI=1S/C2H3NO.C2H4.H2/c1-2-3-4;1-2;/h4H,1H2;1-2H2;1H",92.92412,69.30279,
4843,[C:1]([C:2](/[C:3](=[N:4]\[O:5][H:12])[C:6]([H:13])([H:14])[H:15])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([N:4]([O:5][H:12])[H:15])=[C:6]([H:13])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-3-4(2)5-6/h6H,3H2,1-2H3/b5-4-","InChI=1S/C4H9NO/c1-3-4(2)5-6/h5-6H,2-3H2,1H3",58.788230000000006,16.90604,
4844,[C:1]([C:2](/[C:3](=[N:4]\[O:5][H:12])[C:6]([H:13])([H:14])[H:15])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([N:4]([C:3](=[C:2]([H:10])[H:11])[C:6]([H:13])([H:14])[H:15])[O:5][H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-3-4(2)5-6/h6H,3H2,1-2H3/b5-4-","InChI=1S/C4H9NO/c1-4(2)5(3)6/h6H,1H2,2-3H3",79.71611999999999,21.002489999999998,
4845,[C:1]([C:2](/[C:3](=[N:4]\[O:5][H:12])[C:6]([H:13])([H:14])[H:15])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C@:3]([N:4]=[O:5])([C:6]([H:13])([H:14])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-3-4(2)5-6/h6H,3H2,1-2H3/b5-4-","InChI=1S/C4H9NO/c1-3-4(2)5-6/h4H,3H2,1-2H3/t4-/m1/s1",69.51568,24.37811,ketoenol
4846,[C:1]([C:2](/[C:3](=[N:4]\[O:5][H:12])[C:6]([H:13])([H:14])[H:15])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:3]([C+:2]([H:10])[H:11])([N-:4][O:5][H:12])[C:6]([H:13])([H:14])[H:15])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-3-4(2)5-6/h6H,3H2,1-2H3/b5-4-","InChI=1S/C4H9NO/c1-4(2,3)5-6/h6H,1H2,2-3H3",80.40671,80.29835,
4847,[C:1]([C:2](/[C:3](=[N:4]\[O:5][H:12])[C:6]([H:13])([H:14])[H:15])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](/[C:2](=[C:3](\[N:4]([O:5][H:12])[H:10])[C:6]([H:13])([H:14])[H:15])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-3-4(2)5-6/h6H,3H2,1-2H3/b5-4-","InChI=1S/C4H9NO/c1-3-4(2)5-6/h3,5-6H,1-2H3/b4-3-",73.96193000000001,14.52275,
4848,[C:1]([C:2](/[C:3](=[N:4]\[O:5][H:12])[C:6]([H:13])([H:14])[H:15])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:12].[C:2](=[C:3]([N:4]=[O:5])[C:6]([H:13])([H:14])[H:15])([H:10])[H:11],"InChI=1S/C4H9NO/c1-3-4(2)5-6/h6H,3H2,1-2H3/b5-4-","InChI=1S/C3H5NO.CH4/c1-3(2)4-5;/h1H2,2H3;1H4",59.0649,37.66185,
4849,[C:1]([C:2](/[C:3](=[N:4]\[O:5][H:12])[C:6]([H:13])([H:14])[H:15])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C@:2]1([H:11])[C:3]([C:6]([H:13])([H:14])[H:15])=[N:4]1)([H:7])([H:8])[H:9].[O:5]([H:10])[H:12],"InChI=1S/C4H9NO/c1-3-4(2)5-6/h6H,3H2,1-2H3/b5-4-","InChI=1S/C4H7N.H2O/c1-3-4(2)5-3;/h3H,1-2H3;1H2/t3-;/m1./s1",65.72014,8.6965,
4850,[C:1]([C:2]1([O:3][H:9])[C:4]([H:10])([H:11])[C:5]1([H:12])[H:13])([H:6])([H:7])[H:8],[C:1](/[C:2]([O:3][H:9])=[C:5](/[C:4]([H:10])([H:11])[H:13])[H:12])([H:6])([H:7])[H:8],"InChI=1S/C4H8O/c1-4(5)2-3-4/h5H,2-3H2,1H3","InChI=1S/C4H8O/c1-3-4(2)5/h3,5H,1-2H3/b4-3-",63.57293000000001,-14.92195,
4851,[C:1]([C:2]1([O:3][H:9])[C:4]([H:10])([H:11])[C:5]1([H:12])[H:13])([H:6])([H:7])[H:8],[C:1]([C:5]([C:4]([C:2][O:3][H:9])([H:10])[H:11])([H:12])[H:13])([H:6])([H:7])[H:8],"InChI=1S/C4H8O/c1-4(5)2-3-4/h5H,2-3H2,1H3","InChI=1S/C4H8O/c1-2-3-4-5/h5H,2-3H2,1H3",82.31839000000001,41.128859999999996,
4852,[C:1]([C:2]1([O:3][H:9])[C:4]([H:10])([H:11])[C:5]1([H:12])[H:13])([H:6])([H:7])[H:8],[C:1]([C:2]1=[C:4]([H:10])[C:5]1([H:12])[H:13])([H:6])([H:7])[H:8].[O:3]([H:9])[H:11],"InChI=1S/C4H8O/c1-4(5)2-3-4/h5H,2-3H2,1H3","InChI=1S/C4H6.H2O/c1-4-2-3-4;/h2H,3H2,1H3;1H2",70.86058,33.95092,
4853,[C:1]([C:2]1([O:3][H:9])[C:4]([H:10])([H:11])[C:5]1([H:12])[H:13])([H:6])([H:7])[H:8],[C:1](=[C:2]1[C:4]([H:10])([H:11])[C:5]1([H:12])[H:13])([H:6])[H:7].[O:3]([H:8])[H:9],"InChI=1S/C4H8O/c1-4(5)2-3-4/h5H,2-3H2,1H3",InChI=1S/C4H6.H2O/c1-4-2-3-4;/h1-3H2;1H2,66.60993,22.47168,"1,3_Insertion_ROR"
4854,[C:1]([C:2]1([O:3][H:9])[C:4]([H:10])([H:11])[C:5]1([H:12])[H:13])([H:6])([H:7])[H:8],[C:1]([C:2][C:4]([C:5]([O:3][H:9])([H:12])[H:13])([H:10])[H:11])([H:6])([H:7])[H:8],"InChI=1S/C4H8O/c1-4(5)2-3-4/h5H,2-3H2,1H3","InChI=1S/C4H8O/c1-2-3-4-5/h5H,3-4H2,1H3",91.85006,65.57973,
4855,[C:1]([C:2]1([O:3][H:9])[C:4]([H:10])([H:11])[C:5]1([H:12])[H:13])([H:6])([H:7])[H:8],[C:1]([C:2]([O:3][H:9])([C:4]([H:10])([H:11])[H:12])[C:5][H:13])([H:6])([H:7])[H:8],"InChI=1S/C4H8O/c1-4(5)2-3-4/h5H,2-3H2,1H3","InChI=1S/C4H8O/c1-4(2,3)5/h1,5H,2-3H3",67.81144,73.82085,
4856,[C:1]([C:2]1([O:3][H:9])[C:4]([H:10])([H:11])[C:5]1([H:12])[H:13])([H:6])([H:7])[H:8],[C:1]([O:3][H:9])([H:6])([H:7])[H:8].[C:2]1[C:4]([H:10])([H:11])[C:5]1([H:12])[H:13],"InChI=1S/C4H8O/c1-4(5)2-3-4/h5H,2-3H2,1H3","InChI=1S/C3H4.CH4O/c1-2-3-1;1-2/h1-2H2;2H,1H3",114.02897,103.61513000000001,
4857,[C:1]([C:2]1([O:3][H:9])[C:4]([H:10])([H:11])[C:5]1([H:12])[H:13])([H:6])([H:7])[H:8],[C:1]([H:6])([H:7])([H:8])[H:9].[C:2]1(=[O:3])[C:4]([H:10])([H:11])[C:5]1([H:12])[H:13],"InChI=1S/C4H8O/c1-4(5)2-3-4/h5H,2-3H2,1H3",InChI=1S/C3H4O.CH4/c4-3-1-2-3;/h1-2H2;1H4,83.71709,17.74217,
4858,[C:1]([C:2]1([O:3][H:9])[C:4]([H:10])([H:11])[C:5]1([H:12])[H:13])([H:6])([H:7])[H:8],[C:1]([C:2][O:3][H:9])([H:6])([H:7])[H:8].[C:4](=[C:5]([H:12])[H:13])([H:10])[H:11],"InChI=1S/C4H8O/c1-4(5)2-3-4/h5H,2-3H2,1H3","InChI=1S/C2H4O.C2H4/c1-2-3;1-2/h3H,1H3;1-2H2",55.31111,63.13757,
4859,[C:1]([C:2]1([O:3][H:9])[C:4]([H:10])([H:11])[C:5]1([H:12])[H:13])([H:6])([H:7])[H:8],[C:1]([H:6])([H:7])([H:8])[H:12].[C:2]1([O:3][H:9])=[C:5]([H:13])[C:4]1([H:10])[H:11],"InChI=1S/C4H8O/c1-4(5)2-3-4/h5H,2-3H2,1H3","InChI=1S/C3H4O.CH4/c4-3-1-2-3;/h1,4H,2H2;1H4",112.71127,38.10221,
4860,[C:1]([C:2]1([O:3][H:9])[C:4]([H:10])([H:11])[C:5]1([H:12])[H:13])([H:6])([H:7])[H:8],[C:1](=[C:2]([O:3][H:9])[C:5]([C:4]([H:8])([H:10])[H:11])([H:12])[H:13])([H:6])[H:7],"InChI=1S/C4H8O/c1-4(5)2-3-4/h5H,2-3H2,1H3","InChI=1S/C4H8O/c1-3-4(2)5/h5H,2-3H2,1H3",58.25521,-11.13365,
4861,[C:1]([C:2]1([O:3][H:9])[C:4]([H:10])([H:11])[C:5]1([H:12])[H:13])([H:6])([H:7])[H:8],[C:1]([C:2](=[O:3])[H:9])([H:6])([H:7])[H:8].[C:4](=[C:5]([H:12])[H:13])([H:10])[H:11],"InChI=1S/C4H8O/c1-4(5)2-3-4/h5H,2-3H2,1H3","InChI=1S/C2H4O.C2H4/c1-2-3;1-2/h2H,1H3;1-2H2",80.09923,7.522289999999999,
4862,[N:1]([c:2]1[c:3]([H:9])[o:4][n:5][c:6]1[H:10])([H:7])[H:8],[N:1]([C@@:2]1([C:3](=[O:4])[H:9])[N:5]=[C:6]1[H:10])([H:7])[H:8],"InChI=1S/C3H4N2O/c4-3-1-5-6-2-3/h1-2H,4H2","InChI=1S/C3H4N2O/c4-3(2-6)1-5-3/h1-2H,4H2/t3-/m1/s1",33.30554,14.31494,ketoenol
4863,[N:1]([c:2]1[c:3]([H:9])[o:4][n:5][c:6]1[H:10])([H:7])[H:8],[N:1]([C@@:2]([C:3]#[O+:4])([C:6](=[N-:5])[H:10])[H:9])([H:7])[H:8],"InChI=1S/C3H4N2O/c4-3-1-5-6-2-3/h1-2H,4H2","InChI=1S/C3H4N2O/c4-1-3(5)2-6/h1,3H,5H2/t3-/m1/s1",64.49577,21.86818,
4864,[N:1]([c:2]1[c:3]([H:9])[o:4][n:5][c:6]1[H:10])([H:7])[H:8],[N-:1]([C:2]1=[C:3]([H:9])[O+:4]=[N:5][C:6]1([H:7])[H:10])[H:8],"InChI=1S/C3H4N2O/c4-3-1-5-6-2-3/h1-2H,4H2","InChI=1S/C3H4N2O/c4-3-1-5-6-2-3/h2,4H,1H2",90.38214,46.21784,
4865,[N:1]([c:2]1[c:3]([H:9])[o:4][n:5][c:6]1[H:10])([H:7])[H:8],[N:1](=[C:2]1/[C:3]([H:8])([H:9])[O:4][N:5]=[C:6]1[H:10])\[H:7],"InChI=1S/C3H4N2O/c4-3-1-5-6-2-3/h1-2H,4H2","InChI=1S/C3H4N2O/c4-3-1-5-6-2-3/h1,4H,2H2/b4-3+",73.41835999999999,11.211689999999999,
4866,[N:1]([c:2]1[c:3]([H:9])[o:4][n:5][c:6]1[H:10])([H:7])[H:8],[N:1]([C:2]([C:3](=[O:4])[H:9])=[C:6]=[N:5][H:10])([H:7])[H:8],"InChI=1S/C3H4N2O/c4-3-1-5-6-2-3/h1-2H,4H2","InChI=1S/C3H4N2O/c4-1-3(5)2-6/h2,4H,5H2",51.394220000000004,-5.69721,
4867,[N:1]([c:2]1[c:3]([H:9])[o:4][n:5][c:6]1[H:10])([H:7])[H:8],[N:1]([C:2]#[C:3][H:9])([H:7])[H:8].[O-:4][N+:5]#[C:6][H:10],"InChI=1S/C3H4N2O/c4-3-1-5-6-2-3/h1-2H,4H2","InChI=1S/C2H3N.CHNO/c2*1-2-3/h1H,3H2;1H",79.5801,72.28832,
4868,[c:1]1([H:7])[c:2]([H:8])[n:3][c:4]([H:9])[n:5][c:6]1[H:10],[C:1]1([H:7])=[C:2]([H:8])[N:3]([H:9])[C-:4]=[N+:5]=[C:6]1[H:10],InChI=1S/C4H4N2/c1-2-5-4-6-3-1/h1-4H,"InChI=1S/C4H4N2/c1-2-5-4-6-3-1/h1-3,5H",87.43818,52.57331,
4869,[c:1]1([H:7])[c:2]([H:8])[n:3][c:4]([H:9])[n:5][c:6]1[H:10],[C:1]1([H:7])=[C:2]([H:8])[N:3]2[C:4]([H:9])=[N:5][C@:6]12[H:10],InChI=1S/C4H4N2/c1-2-5-4-6-3-1/h1-4H,InChI=1S/C4H4N2/c1-2-6-3-5-4(1)6/h1-4H/t4-/m0/s1,96.58318,80.60953,
4870,[c:1]1([H:7])[c:2]([H:8])[n:3][c:4]([H:9])[n:5][c:6]1[H:10],[c:1]1([H:7])[c:2]([H:8])[n:3][c:4]([H:9])[n+:5]([H:10])[c-:6]1,InChI=1S/C4H4N2/c1-2-5-4-6-3-1/h1-4H,"InChI=1S/C4H4N2/c1-2-5-4-6-3-1/h1-2,4,6H",84.12495,45.56284,
4871,[c:1]1([H:7])[c:2]([H:8])[n:3][c:4]([H:9])[n:5][c:6]1[H:10],[C:1](=[C:6]([N:5]=[C:4]([N+:3]#[C-:2])[H:9])[H:10])([H:7])[H:8],InChI=1S/C4H4N2/c1-2-5-4-6-3-1/h1-4H,"InChI=1S/C4H4N2/c1-3-6-4-5-2/h3-4H,1H2",98.49235999999999,56.34326,
4872,[c:1]1([H:7])[c:2]([H:8])[n:3][c:4]([H:9])[n:5][c:6]1[H:10],[C+:1]1=[C:6]([H:10])[N:5]=[C:4]([H:9])[N-:3][C:2]1([H:7])[H:8],InChI=1S/C4H4N2/c1-2-5-4-6-3-1/h1-4H,"InChI=1S/C4H4N2/c1-2-5-4-6-3-1/h2,4H,3H2",94.1882,90.60296,Singlet_Carbene_Intra_Disproportionation
4873,[c:1]1([H:7])[c:2]([H:8])[n:3][c:4]([H:9])[n:5][c:6]1[H:10],[C:1]1=[C:2]([H:8])[N:3]=[C:4]([H:9])[N:5]([H:7])[C:6]=1[H:10],InChI=1S/C4H4N2/c1-2-5-4-6-3-1/h1-4H,"InChI=1S/C4H4N2/c1-2-5-4-6-3-1/h2-4H,(H,5,6)",115.9515,56.36331,
4874,[c:1]1([H:7])[c:2]([H:8])[n:3][c:4]([H:9])[n:5][c:6]1[H:10],[C:1]1([H:7])([H:8])[C-:2]=[N+:3]=[C:4]([H:9])[N:5]=[C:6]1[H:10],InChI=1S/C4H4N2/c1-2-5-4-6-3-1/h1-4H,"InChI=1S/C4H4N2/c1-2-5-4-6-3-1/h2,4H,1H2",90.07451,70.41027,Singlet_Carbene_Intra_Disproportionation
4875,[c:1]1([H:7])[c:2]([H:8])[n:3][c:4]([H:9])[n:5][c:6]1[H:10],[C:1](#[C:2][H:8])[H:7].[N:3]#[C:4][H:9].[N:5]#[C:6][H:10],InChI=1S/C4H4N2/c1-2-5-4-6-3-1/h1-4H,InChI=1S/C2H2.2CHN/c3*1-2/h1-2H;2*1H,114.24168999999999,87.34723000000001,
4876,[c:1]1([H:7])[c:2]([H:8])[n:3][c:4]([H:9])[n:5][c:6]1[H:10],[C:1]12([H:7])[C:2]([H:8])=[N:3][C:4]1([H:9])[N:5]=[C:6]2[H:10],InChI=1S/C4H4N2/c1-2-5-4-6-3-1/h1-4H,InChI=1S/C4H4N2/c1-3-2-6-4(3)5-1/h1-4H,85.98709000000001,76.24551,
4877,[c:1]1([H:7])[c:2]([H:8])[n:3][c:4]([H:9])[n:5][c:6]1[H:10],[C@@:1]12([H:7])[C@@:2]3([H:8])[N:3]1[C:4]([H:9])=[N:5][C@@:6]23[H:10],InChI=1S/C4H4N2/c1-2-5-4-6-3-1/h1-4H,"InChI=1S/C4H4N2/c1-5-2-3-4(2)6(1)3/h1-4H/t2-,3+,4-,6?",97.04728,83.10427,
4878,[c:1]1([H:7])[c:2]([H:8])[n:3][c:4]([H:9])[n:5][c:6]1[H:10],[C:1]1([H:7])([H:9])[C:2]([H:8])=[N+:3]=[C-:4][N:5]=[C:6]1[H:10],InChI=1S/C4H4N2/c1-2-5-4-6-3-1/h1-4H,"InChI=1S/C4H4N2/c1-2-5-4-6-3-1/h2-3H,1H2",97.71646,76.09218,
4879,[c:1]1([H:7])[c:2]([H:8])[n:3][c:4]([H:9])[n:5][c:6]1[H:10],[C:1]1([H:7])=[C:6]=[N:5][C:4]([H:9])=[N:3][C:2]1([H:8])[H:10],InChI=1S/C4H4N2/c1-2-5-4-6-3-1/h1-4H,"InChI=1S/C4H4N2/c1-2-5-4-6-3-1/h1,4H,2H2",111.40843000000001,64.02383,
4880,[c:1]1([H:7])[c:2]([H:8])[n:3][c:4]([H:9])[n:5][c:6]1[H:10],[C:1]1([H:7])=[C:6]([H:10])[N:5]([H:8])[C:4]([H:9])=[N+:3]=[C-:2]1,InChI=1S/C4H4N2/c1-2-5-4-6-3-1/h1-4H,"InChI=1S/C4H4N2/c1-2-5-4-6-3-1/h1-2,4-5H",122.06053999999999,69.30346999999999,
4881,[c:1]1([H:7])[c:2]([H:8])[n:3][c:4]([H:9])[n:5][c:6]1[H:10],[C:1](/[C:2](=[N:3]\[H:9])[H:8])(=[C:6](/[N+:5]#[C-:4])[H:10])[H:7],InChI=1S/C4H4N2/c1-2-5-4-6-3-1/h1-4H,"InChI=1S/C4H4N2/c1-6-4-2-3-5/h2-5H/b4-2-,5-3-",88.12897,51.50663,
4882,[c:1]1([H:7])[c:2]([H:8])[n:3][c:4]([H:9])[n:5][c:6]1[H:10],[C+:1]1=[C:2]([H:8])[N-:3][C:4]([H:7])([H:9])[N:5]=[C:6]1[H:10],InChI=1S/C4H4N2/c1-2-5-4-6-3-1/h1-4H,"InChI=1S/C4H4N2/c1-2-5-4-6-3-1/h2-3H,4H2",118.29723,92.08012,
4883,[c:1]1([H:7])[c:2]([H:8])[n:3][c:4]([H:9])[n:5][c:6]1[H:10],[C:1]1([H:7])=[C:6]([H:10])/[C:4](=[N:5]/[H:9])[N:3]=[C:2]1[H:8],InChI=1S/C4H4N2/c1-2-5-4-6-3-1/h1-4H,"InChI=1S/C4H4N2/c5-4-2-1-3-6-4/h1-3,5H/b5-4-",137.80746000000002,23.24205,
4884,[c:1]1([H:7])[c:2]([H:8])[n:3][c:4]([H:9])[n:5][c:6]1[H:10],[C:1]1=[C:2]=[N:3][C:4]([H:9])=[N:5][C:6]=1[H:10].[H:7][H:8],InChI=1S/C4H4N2/c1-2-5-4-6-3-1/h1-4H,"InChI=1S/C4H2N2.H2/c1-2-5-4-6-3-1;/h2,4H;1H",118.49231,90.10385,
4885,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@@:3]3([H:10])[C:4]([H:11])([H:12])[N:5]1[C@@:6]23[H:13],[C:1]1([H:7])([H:8])[C:2]2([H:9])[C:3][C:4]([H:11])([H:12])[N:5]1[C:6]2([H:10])[H:13],"InChI=1S/C5H7N/c1-3-4-2-6(1)5(3)4/h3-5H,1-2H2/t3-,4+,5-","InChI=1S/C5H7N/c1-2-6-3-5(1)4-6/h5H,2-4H2",59.64994,46.76746,
4886,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@@:3]3([H:10])[C:4]([H:11])([H:12])[N:5]1[C@@:6]23[H:13],[C:1]1([H:7])([H:8])[C:2]([H:9])=[C:6]([H:13])[N+:5]12[C-:3]([H:10])[C:4]2([H:11])[H:12],"InChI=1S/C5H7N/c1-3-4-2-6(1)5(3)4/h3-5H,1-2H2/t3-,4+,5-","InChI=1S/C5H7N/c1-2-6(3-1)4-5-6/h1-2,4H,3,5H2",66.91448000000001,44.62291,
4887,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@@:3]3([H:10])[C:4]([H:11])([H:12])[N:5]1[C@@:6]23[H:13],[C:1](=[C:2]([C@@:3]1([H:10])[C:4]([H:11])([H:12])[N:5]=[C:6]1[H:13])[H:9])([H:7])[H:8],"InChI=1S/C5H7N/c1-3-4-2-6(1)5(3)4/h3-5H,1-2H2/t3-,4+,5-","InChI=1S/C5H7N/c1-2-5-3-6-4-5/h2-3,5H,1,4H2/t5-/m1/s1",35.88776,-31.38857,
4888,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@@:3]3([H:10])[C:4]([H:11])([H:12])[N:5]1[C@@:6]23[H:13],[C:1](=[N+:5]1[C:4]([H:11])([H:12])[C@:3]2([H:10])[C-:2]([H:9])[C@@:6]21[H:13])([H:7])[H:8],"InChI=1S/C5H7N/c1-3-4-2-6(1)5(3)4/h3-5H,1-2H2/t3-,4+,5-","InChI=1S/C5H7N/c1-6-3-4-2-5(4)6/h2,4-5H,1,3H2/t4-,5-/m0/s1",48.27684,43.6785,
4889,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@@:3]3([H:10])[C:4]([H:11])([H:12])[N:5]1[C@@:6]23[H:13],[C:1]1([H:7])([H:8])[C:2][C@@:6]2([H:13])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[N:5]12,"InChI=1S/C5H7N/c1-3-4-2-6(1)5(3)4/h3-5H,1-2H2/t3-,4+,5-","InChI=1S/C5H7N/c1-3-6-4-2-5(1)6/h5H,1,3-4H2/t5-/m1/s1",56.69395,57.190580000000004,
4890,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@@:3]3([H:10])[C:4]([H:11])([H:12])[N:5]1[C@@:6]23[H:13],[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@@:3]([H:10])([C:4]([H:11])([H:12])[N:5]1[H:13])[C:6]2,"InChI=1S/C5H7N/c1-3-4-2-6(1)5(3)4/h3-5H,1-2H2/t3-,4+,5-","InChI=1S/C5H7N/c1-4-2-6-3-5(1)4/h4-6H,2-3H2/t4-,5+",48.57486,31.02848,
4891,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@@:3]3([H:10])[C:4]([H:11])([H:12])[N:5]1[C@@:6]23[H:13],[C:1]1([H:7])([H:8])[C:2]([H:9])=[C:3]([H:10])[C@@:6]2([H:13])[C:4]([H:11])([H:12])[N:5]12,"InChI=1S/C5H7N/c1-3-4-2-6(1)5(3)4/h3-5H,1-2H2/t3-,4+,5-","InChI=1S/C5H7N/c1-2-5-4-6(5)3-1/h1-2,5H,3-4H2/t5-,6?/m0/s1",66.85332,-38.071490000000004,
4892,[C:1]([C:2](=[O:3])[N:4](/[C:5](=[N:6]/[H:12])[H:11])[H:10])([H:7])([H:8])[H:9],[C:1]([O+:3]=[C-:2][N:4](/[C:5](=[N:6]/[H:12])[H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C3H6N2O/c1-3(6)5-2-4/h2H,1H3,(H2,4,5,6)","InChI=1S/C3H6N2O/c1-6-3-5-2-4/h2H,1H3,(H2,4,5)",101.81888000000001,60.538709999999995,
4893,[C:1]([C:2](=[O:3])[N:4](/[C:5](=[N:6]/[H:12])[H:11])[H:10])([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:10].[C:2](=[O:3])=[N:4]/[C:5](=[N:6]/[H:12])[H:11],"InChI=1S/C3H6N2O/c1-3(6)5-2-4/h2H,1H3,(H2,4,5,6)","InChI=1S/C2H2N2O.CH4/c3-1-4-2-5;/h1,3H;1H4/b3-1+;",76.31354,13.9795,
4894,[C:1]([C:2](=[O:3])[N:4](/[C:5](=[N:6]/[H:12])[H:11])[H:10])([H:7])([H:8])[H:9],[C:1](/[C:2]([O:3][H:10])=[N:4]\[C:5](=[N:6]\[H:12])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C3H6N2O/c1-3(6)5-2-4/h2H,1H3,(H2,4,5,6)","InChI=1S/C3H6N2O/c1-3(6)5-2-4/h2H,1H3,(H2,4,5,6)",41.00258,14.002629999999998,ketoenol
4895,[C:1]([C:2](=[O:3])[N:4](/[C:5](=[N:6]/[H:12])[H:11])[H:10])([H:7])([H:8])[H:9],[C-:2]#[O+:3].[C:1]([N:6](/[C:5](=[N:4]\[H:10])[H:11])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C3H6N2O/c1-3(6)5-2-4/h2H,1H3,(H2,4,5,6)","InChI=1S/C2H6N2.CO/c1-4-2-3;1-2/h2H,1H3,(H2,3,4);",99.5147,23.74241,"1,2_Insertion_CO"
4896,[C:1]([C:2](=[O:3])[N:4](/[C:5](=[N:6]/[H:12])[H:11])[H:10])([H:7])([H:8])[H:9],[C:1]1([H:8])([H:9])/[C:2](=[N:4]/[C:5](=[N:6]/[H:12])[H:11])[O:3]1.[H:7][H:10],"InChI=1S/C3H6N2O/c1-3(6)5-2-4/h2H,1H3,(H2,4,5,6)","InChI=1S/C3H4N2O.H2/c4-2-5-3-1-6-3;/h2,4H,1H2;1H/b4-2+,5-3-;",94.64896,74.50171999999999,
4897,[C:1]([C:2](=[O:3])[N:4](/[C:5](=[N:6]/[H:12])[H:11])[H:10])([H:7])([H:8])[H:9],[C:1](=[C:2]=[O:3])([H:8])[H:9].[N-:4]([C+:5]([N:6]([H:7])[H:12])[H:11])[H:10],"InChI=1S/C3H6N2O/c1-3(6)5-2-4/h2H,1H3,(H2,4,5,6)","InChI=1S/C2H2O.CH4N2/c1-2-3;2-1-3/h1H2;1-2H,3H2",58.71816999999999,37.66957,Retroene
4898,[C:1]([C:2](=[O:3])[N:4](/[C:5](=[N:6]/[H:12])[H:11])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2](=[O:3])[N:4]([C-:5]=[N+:6]([H:11])[H:12])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C3H6N2O/c1-3(6)5-2-4/h2H,1H3,(H2,4,5,6)","InChI=1S/C3H6N2O/c1-3(6)5-2-4/h4H2,1H3,(H,5,6)",80.83743,27.20842,
4899,[C:1]([C:2](=[O:3])[N:4](/[C:5](=[N:6]/[H:12])[H:11])[H:10])([H:7])([H:8])[H:9],[C:1](=[C:2]([O:3][H:7])[N:4](/[C:5](=[N:6]/[H:12])[H:11])[H:10])([H:8])[H:9],"InChI=1S/C3H6N2O/c1-3(6)5-2-4/h2H,1H3,(H2,4,5,6)","InChI=1S/C3H6N2O/c1-3(6)5-2-4/h2,6H,1H2,(H2,4,5)",63.11949,20.90971,ketoenol
4900,[C:1]([C:2](=[O:3])[N:4](/[C:5](=[N:6]/[H:12])[H:11])[H:10])([H:7])([H:8])[H:9],[C:1]([C@@:2]12[O:3][N:6]([H:12])[C@:5]1([H:11])[N:4]2[H:10])([H:7])([H:8])[H:9],"InChI=1S/C3H6N2O/c1-3(6)5-2-4/h2H,1H3,(H2,4,5,6)","InChI=1S/C3H6N2O/c1-3-2(4-3)5-6-3/h2,4-5H,1H3/t2-,3+/m0/s1",117.75943000000001,97.77323,
4901,[C:1]([C:2](=[O:3])[N:4](/[C:5](=[N:6]/[H:12])[H:11])[H:10])([H:7])([H:8])[H:9],[C:1]1([H:8])([H:9])[C:2]2([O:3]1)[N:4]([H:10])[C:5]([H:7])([H:11])[N:6]2[H:12],"InChI=1S/C3H6N2O/c1-3(6)5-2-4/h2H,1H3,(H2,4,5,6)","InChI=1S/C3H6N2O/c1-3(6-1)4-2-5-3/h4-5H,1-2H2",119.77831,65.95538,
4902,[C:1]([C:2](=[O:3])[N:4](/[C:5](=[N:6]/[H:12])[H:11])[H:10])([H:7])([H:8])[H:9],[C:1](/[C:2]([O:3]/[C:5](=[N:6]/[H:12])[H:11])=[N:4]\[H:10])([H:7])([H:8])[H:9],"InChI=1S/C3H6N2O/c1-3(6)5-2-4/h2H,1H3,(H2,4,5,6)","InChI=1S/C3H6N2O/c1-3(5)6-2-4/h2,4-5H,1H3/b4-2+,5-3+",53.550430000000006,19.43009,ketoenol
4903,[C:1]([C:2](=[O:3])[N:4](/[C:5](=[N:6]/[H:12])[H:11])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2](=[O:3])/[N:4]=[C:5](/[N:6]([H:10])[H:12])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C3H6N2O/c1-3(6)5-2-4/h2H,1H3,(H2,4,5,6)","InChI=1S/C3H6N2O/c1-3(6)5-2-4/h2H,1H3,(H2,4,5,6)",38.481790000000004,2.48795,
4904,[C:1]([C:2](=[O:3])[N:4](/[C:5](=[N:6]/[H:12])[H:11])[H:10])([H:7])([H:8])[H:9],[C:1](/[C:2]([O:3][H:12])=[N:4]\[H:10])([H:7])([H:8])[H:9].[C:5](#[N:6])[H:11],"InChI=1S/C3H6N2O/c1-3(6)5-2-4/h2H,1H3,(H2,4,5,6)","InChI=1S/C2H5NO.CHN/c1-2(3)4;1-2/h1H3,(H2,3,4);1H",34.4782,23.76971,Retroene
4905,[C:1]([C:2](=[O:3])[N:4](/[C:5](=[N:6]/[H:12])[H:11])[H:10])([H:7])([H:8])[H:9],[C:1]([C+:2][N:4]([C:5]([N:6]([O-:3])[H:12])[H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C3H6N2O/c1-3(6)5-2-4/h2H,1H3,(H2,4,5,6)","InChI=1S/C3H6N2O/c1-2-4-3-5-6/h3-5H,1H3",124.15201,120.68807,Retroene
4906,[C:1]([C:2](=[O:3])[N:4](/[C:5](=[N:6]/[H:12])[H:11])[H:10])([H:7])([H:8])[H:9],[C:1](=[C:2]=[O:3])([H:8])[H:9].[H:7][H:11].[N:4](=[C:5]=[N:6][H:12])[H:10],"InChI=1S/C3H6N2O/c1-3(6)5-2-4/h2H,1H3,(H2,4,5,6)",InChI=1S/C2H2O.CH2N2.H2/c1-2-3;2-1-3;/h1H2;2-3H;1H,84.35696,54.011390000000006,
4907,[C:1]([C:2](=[O:3])[N:4](/[C:5](=[N:6]/[H:12])[H:11])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2](=[O:3])[N:4]([H:10])[H:12])([H:7])([H:8])[H:9].[C:5](#[N:6])[H:11],"InChI=1S/C3H6N2O/c1-3(6)5-2-4/h2H,1H3,(H2,4,5,6)","InChI=1S/C2H5NO.CHN/c1-2(3)4;1-2/h1H3,(H2,3,4);1H",70.898,14.52183,
4908,[C:1]([C:2](=[O:3])[N:4](/[C:5](=[N:6]/[H:12])[H:11])[H:10])([H:7])([H:8])[H:9],[C:1]1([H:8])([H:9])[C:2](=[O:3])[N:4]([H:10])[C:5]([H:7])([H:11])[N:6]1[H:12],"InChI=1S/C3H6N2O/c1-3(6)5-2-4/h2H,1H3,(H2,4,5,6)","InChI=1S/C3H6N2O/c6-3-1-4-2-5-3/h4H,1-2H2,(H,5,6)",92.14479,12.13925,
4909,[C:1]([C:2](=[O:3])[N:4](/[C:5](=[N:6]/[H:12])[H:11])[H:10])([H:7])([H:8])[H:9],[C:1](=[C:2]1[O:3][N:6]([H:12])[C:5]([H:7])([H:11])[N:4]1[H:10])([H:8])[H:9],"InChI=1S/C3H6N2O/c1-3(6)5-2-4/h2H,1H3,(H2,4,5,6)","InChI=1S/C3H6N2O/c1-3-4-2-5-6-3/h4-5H,1-2H2",101.01256,70.34716999999999,
4910,[C:1](/[C:2](=[N:3]/[O:4][H:10])[C:5]([O:6][H:13])([H:11])[H:12])([H:7])([H:8])[H:9],[C:1]([C+:2]([N:3]([O-:4])[H:10])[C:5]([O:6][H:13])([H:11])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C3H7NO2/c1-3(2-5)4-6/h5-6H,2H2,1H3/b4-3-","InChI=1S/C3H7NO2/c1-3(2-5)4-6/h4-5H,2H2,1H3",45.780159999999995,10.62005,
4911,[C:1](/[C:2](=[N:3]/[O:4][H:10])[C:5]([O:6][H:13])([H:11])[H:12])([H:7])([H:8])[H:9],[C:1]([C:2]#[N+:3][O-:4])([H:7])([H:8])[H:9].[C:5](=[O:6])([H:11])[H:12].[H:10][H:13],"InChI=1S/C3H7NO2/c1-3(2-5)4-6/h5-6H,2H2,1H3/b4-3-",InChI=1S/C2H3NO.CH2O.H2/c1-2-3-4;1-2;/h1H3;1H2;1H,72.66107,51.961220000000004,
4912,[C:1](/[C:2](=[N:3]/[O:4][H:10])[C:5]([O:6][H:13])([H:11])[H:12])([H:7])([H:8])[H:9],[C:1]([C:2]#[N:3])([H:7])([H:8])[H:9].[C:5](=[O:6])([H:11])[H:12].[O:4]([H:10])[H:13],"InChI=1S/C3H7NO2/c1-3(2-5)4-6/h5-6H,2H2,1H3/b4-3-",InChI=1S/C2H3N.CH2O.H2O/c1-2-3;1-2;/h1H3;1H2;1H2,28.683590000000002,-9.68715,
4913,[C:1](/[C:2](=[N:3]/[O:4][H:10])[C:5]([O:6][H:13])([H:11])[H:12])([H:7])([H:8])[H:9],[C:1]([C@:2]1([N:3]([O:4][H:10])[H:13])[C:5]([H:11])([H:12])[O:6]1)([H:7])([H:8])[H:9],"InChI=1S/C3H7NO2/c1-3(2-5)4-6/h5-6H,2H2,1H3/b4-3-","InChI=1S/C3H7NO2/c1-3(4-5)2-6-3/h4-5H,2H2,1H3/t3-/m1/s1",66.89048000000001,27.156229999999997,
4914,[C:1](/[C:2](=[N:3]/[O:4][H:10])[C:5]([O:6][H:13])([H:11])[H:12])([H:7])([H:8])[H:9],[C:1](=[C:2]([N:3]([O:4][H:10])[H:8])[C:5]([O:6][H:13])([H:11])[H:12])([H:7])[H:9],"InChI=1S/C3H7NO2/c1-3(2-5)4-6/h5-6H,2H2,1H3/b4-3-","InChI=1S/C3H7NO2/c1-3(2-5)4-6/h4-6H,1-2H2",57.8845,18.085739999999998,
4915,[C:1](/[C:2](=[N:3]/[O:4][H:10])[C:5]([O:6][H:13])([H:11])[H:12])([H:7])([H:8])[H:9],[C:1]([C@:2]([N:3]=[O:4])([C:5]([O:6][H:13])([H:11])[H:12])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C3H7NO2/c1-3(2-5)4-6/h5-6H,2H2,1H3/b4-3-","InChI=1S/C3H7NO2/c1-3(2-5)4-6/h3,5H,2H2,1H3/t3-/m0/s1",66.40077,22.26214,ketoenol
4916,[C:1](/[C:2](=[N:3]/[O:4][H:10])[C:5]([O:6][H:13])([H:11])[H:12])([H:7])([H:8])[H:9],[C:1](/[C:2]([N:3]([O:4][H:10])[H:12])=[C:5](/[O:6][H:13])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C3H7NO2/c1-3(2-5)4-6/h5-6H,2H2,1H3/b4-3-","InChI=1S/C3H7NO2/c1-3(2-5)4-6/h2,4-6H,1H3/b3-2-",63.92276,9.17492,
4917,[C:1](/[C:2](=[N:3]/[O:4][H:10])[C:5]([O:6][H:13])([H:11])[H:12])([H:7])([H:8])[H:9],[C:1](/[C:2](=[N:3]/[O:4][H:10])[H:12])([H:7])([H:8])[H:9].[C:5]([O:6][H:13])[H:11],"InChI=1S/C3H7NO2/c1-3(2-5)4-6/h5-6H,2H2,1H3/b4-3-","InChI=1S/C2H5NO.CH2O/c1-2-3-4;1-2/h2,4H,1H3;1-2H/b3-2+;",76.46524000000001,79.65586,
4918,[C:1](/[C:2](=[N:3]/[O:4][H:10])[C:5]([O:6][H:13])([H:11])[H:12])([H:7])([H:8])[H:9],[C:1](=[C:2]=[N:3][O:4][H:10])([H:7])[H:9].[C:5](=[O:6])([H:11])[H:12].[H:8][H:13],"InChI=1S/C3H7NO2/c1-3(2-5)4-6/h5-6H,2H2,1H3/b4-3-","InChI=1S/C2H3NO.CH2O.H2/c1-2-3-4;1-2;/h4H,1H2;1H2;1H",79.81002,62.02961,
4919,[C:1](/[C:2](=[N:3]/[O:4][H:10])[C:5]([O:6][H:13])([H:11])[H:12])([H:7])([H:8])[H:9],[C:1](/[C:2](=[N:3]/[O:4][H:10])[O:6][H:13])([H:7])([H:8])[H:9].[C:5]([H:11])[H:12],"InChI=1S/C3H7NO2/c1-3(2-5)4-6/h5-6H,2H2,1H3/b4-3-","InChI=1S/C2H5NO2.CH2/c1-2(4)3-5;/h5H,1H3,(H,3,4);1H2",85.86845,104.71093,
4920,[C:1](/[C:2](=[N:3]/[O:4][H:10])[C:5]([O:6][H:13])([H:11])[H:12])([H:7])([H:8])[H:9],[C:1](=[C:2]([N:3]=[O:4])[C:5]([O:6][H:13])([H:11])[H:12])([H:7])[H:9].[H:8][H:10],"InChI=1S/C3H7NO2/c1-3(2-5)4-6/h5-6H,2H2,1H3/b4-3-","InChI=1S/C3H5NO2.H2/c1-3(2-5)4-6;/h5H,1-2H2;1H",85.9211,47.795159999999996,
4921,[C:1](/[C:2](=[N:3]/[O:4][H:10])[C:5]([O:6][H:13])([H:11])[H:12])([H:7])([H:8])[H:9],[C:1]([C:2]([N:3]=[O:4])=[C:5]([H:11])[H:12])([H:7])([H:8])[H:9].[O:6]([H:10])[H:13],"InChI=1S/C3H7NO2/c1-3(2-5)4-6/h5-6H,2H2,1H3/b4-3-","InChI=1S/C3H5NO.H2O/c1-3(2)4-5;/h1H2,2H3;1H2",33.03382,31.40997,
4922,[C:1]([C:2]#[C:3][C:4](=[O:5])[C:6]([H:10])([H:11])[H:12])([H:7])([H:8])[H:9],[C:1]([C:2]#[C:3][C:4]([O:5][H:12])=[C:6]([H:10])[H:11])([H:7])([H:8])[H:9],InChI=1S/C5H6O/c1-3-4-5(2)6/h1-2H3,"InChI=1S/C5H6O/c1-3-4-5(2)6/h6H,2H2,1H3",61.21682,8.9187,ketoenol
4923,[C:1]([C:2]#[C:3][C:4](=[O:5])[C:6]([H:10])([H:11])[H:12])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]=[C:4]1[O:5][C:6]1([H:10])[H:11])[H:12])([H:7])([H:8])[H:9],InChI=1S/C5H6O/c1-3-4-5(2)6/h1-2H3,"InChI=1S/C5H6O/c1-2-3-5-4-6-5/h2H,4H2,1H3",81.39769,34.7026,
4924,[C:1]([C:2]#[C:3][C:4](=[O:5])[C:6]([H:10])([H:11])[H:12])([H:7])([H:8])[H:9],[C:1](=[C:2]([C+:3]=[C:4]([O-:5])[C:6]([H:10])([H:11])[H:12])[H:8])([H:7])[H:9],InChI=1S/C5H6O/c1-3-4-5(2)6/h1-2H3,"InChI=1S/C5H6O/c1-3-4-5(2)6/h3H,1H2,2H3",63.714209999999994,44.37001,
4925,[C:1]([C:2]#[C:3][C:4](=[O:5])[C:6]([H:10])([H:11])[H:12])([H:7])([H:8])[H:9],[C:1](=[C:2]=[C:3]=[C:4]([O:5][H:8])[C:6]([H:10])([H:11])[H:12])([H:7])[H:9],InChI=1S/C5H6O/c1-3-4-5(2)6/h1-2H3,"InChI=1S/C5H6O/c1-3-4-5(2)6/h6H,1H2,2H3",52.5276,9.14691,
4926,[C:1]([C:2]#[C:3][C:4](=[O:5])[C:6]([H:10])([H:11])[H:12])([H:7])([H:8])[H:9],[C:1]1([H:7])([H:9])[C:2]([H:8])=[C:3]1[C:4](=[O:5])[C:6]([H:10])([H:11])[H:12],InChI=1S/C5H6O/c1-3-4-5(2)6/h1-2H3,"InChI=1S/C5H6O/c1-4(6)5-2-3-5/h2H,3H2,1H3",59.94931999999999,20.063229999999997,
4927,[C:1]([C:2]#[C:3][C:4](=[O:5])[C:6]([H:10])([H:11])[H:12])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]=[C:4]=[O:5])[C:6]([H:10])([H:11])[H:12])([H:7])([H:8])[H:9],InChI=1S/C5H6O/c1-3-4-5(2)6/h1-2H3,InChI=1S/C5H6O/c1-5(2)3-4-6/h1-2H3,72.45272,-4.2381400000000005,
4928,[o:1]1[n:2][c:3]([H:6])[n:4][n:5]1,[N:2]#[C:3][H:6].[O:1]=[N+:5]=[N-:4],InChI=1S/CHN3O/c1-2-4-5-3-1/h1H,InChI=1S/CHN.N2O/c1-2;1-2-3/h1H;,24.29464,-12.71067,
4929,[o:1]1[n:2][c:3]([H:6])[n:4][n:5]1,[N:4]#[N:5].[O-:1][N+:2]#[C:3][H:6],InChI=1S/CHN3O/c1-2-4-5-3-1/h1H,InChI=1S/CHNO.N2/c1-2-3;1-2/h1H;,6.62626,-23.86166,
4930,[C:1]([C:2]#[C:3][C:4]1([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]([C-:2]=[C:3]1[C+:4]([H:10])[C:6]([H:13])([H:14])[C:5]1([H:11])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C6H8/c1-2-3-6-4-5-6/h6H,4-5H2,1H3","InChI=1S/C6H8/c1-2-6-4-3-5-6/h4H,3,5H2,1H3",61.78015,57.320530000000005,
4931,[C:1]([C:2]#[C:3][C:4]1([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]=[C:4]([C:5](=[C:6]([H:13])[H:14])[H:11])[H:10])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C6H8/c1-2-3-6-4-5-6/h6H,4-5H2,1H3","InChI=1S/C6H8/c1-3-5-6-4-2/h3-5H,1H2,2H3",83.88444,-9.43423,
4932,[C:1]([C:2]#[C:3][C:4]1([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]([C:2]1=[C:3]=[C:4]([H:10])[C:6]([H:13])([H:14])[C:5]1([H:11])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C6H8/c1-2-3-6-4-5-6/h6H,4-5H2,1H3","InChI=1S/C6H8/c1-6-4-2-3-5-6/h2H,3,5H2,1H3",64.86624,25.05459,
4933,[C:1]([C:2]#[C:3][C:4]1([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])([H:7])([H:8])[H:9],[C+:1]([C:2](=[C-:3][C:4]1([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])[H:7])([H:8])[H:9],"InChI=1S/C6H8/c1-2-3-6-4-5-6/h6H,4-5H2,1H3","InChI=1S/C6H8/c1-2-3-6-4-5-6/h2,6H,1,4-5H2",69.32649,51.76696,
4934,[C:1]([C:2]#[C:3][C:4]1([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]([C+:2]=[C:3]=[C-:4][C:5]([C:6]([H:10])([H:13])[H:14])([H:11])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C6H8/c1-2-3-6-4-5-6/h6H,4-5H2,1H3","InChI=1S/C6H8/c1-3-5-6-4-2/h3H2,1-2H3",59.92154,50.4821,
4935,[C:1]([C:2]#[C:3][C:4]1([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3])[C:4]1([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C6H8/c1-2-3-6-4-5-6/h6H,4-5H2,1H3","InChI=1S/C6H8/c1-5(2)6-3-4-6/h6H,3-4H2,1H3",55.28511999999999,55.89256999999999,
4936,[C:1]([C:2]#[C:3][C:4]1([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]([C:2]1=[C-:3][C:6]([H:13])([H:14])[C:5]([H:11])([H:12])[C+:4]1[H:10])([H:7])([H:8])[H:9],"InChI=1S/C6H8/c1-2-3-6-4-5-6/h6H,4-5H2,1H3","InChI=1S/C6H8/c1-6-4-2-3-5-6/h4H,2-3H2,1H3",62.52809,30.476029999999998,
4937,[C:1]([C:2]#[C:3][C:4]1([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]([C-:2]=[C:3]([C+:4]1[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C6H8/c1-2-3-6-4-5-6/h6H,4-5H2,1H3","InChI=1S/C6H8/c1-2-3-6-4-5-6/h3H,4-5H2,1H3",77.17383000000001,64.87595,
4938,[C:1]([C:2]#[C:3][C:4]1([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]([C@:2]1([H:14])[C:3][C@@:4]2([H:10])[C:5]([H:11])([H:12])[C@@:6]12[H:13])([H:7])([H:8])[H:9],"InChI=1S/C6H8/c1-2-3-6-4-5-6/h6H,4-5H2,1H3","InChI=1S/C6H8/c1-4-2-5-3-6(4)5/h4-6H,3H2,1H3/t4-,5+,6+/m1/s1",106.19779,52.76705,
4939,[C:1]([C:2]#[C:3][C:4]1([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])([H:7])([H:8])[H:9],[C:1](=[C:2]=[C:3]=[C:4]1[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])([H:8])[H:9].[H:7][H:10],"InChI=1S/C6H8/c1-2-3-6-4-5-6/h6H,4-5H2,1H3","InChI=1S/C6H6.H2/c1-2-3-6-4-5-6;/h1,4-5H2;1H",73.78703,39.63455,
4940,[C:1]1([H:7])([H:8])[N:2]([H:9])[C:3]12[C:4]([H:10])([H:11])[O:5][C:6]2([H:12])[H:13],[C+:1]1([H:8])[N:2]([H:9])[C@@:3]1([C:4]([O-:5])([H:10])[H:11])[C:6]([H:7])([H:12])[H:13],"InChI=1S/C4H7NO/c1-4(5-1)2-6-3-4/h5H,1-3H2","InChI=1S/C4H7NO/c1-4(3-6)2-5-4/h2,5H,3H2,1H3/t4-/m0/s1",92.92860999999999,45.60555,
4941,[C:1]1([H:7])([H:8])[N:2]([H:9])[C:3]12[C:4]([H:10])([H:11])[O:5][C:6]2([H:12])[H:13],[C-:1]([N:2]([C+:3]1[C:4]([H:10])([H:11])[O:5][C:6]1([H:12])[H:13])[H:9])([H:7])[H:8],"InChI=1S/C4H7NO/c1-4(5-1)2-6-3-4/h5H,1-3H2","InChI=1S/C4H7NO/c1-5-4-2-6-3-4/h5H,1-3H2",39.571090000000005,23.59539,
4942,[C:1]1([H:7])([H:8])[N:2]([H:9])[C:3]12[C:4]([H:10])([H:11])[O:5][C:6]2([H:12])[H:13],[C:1]([N:2]=[C:3]1[C:4]([H:10])([H:11])[O:5][C:6]1([H:12])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4(5-1)2-6-3-4/h5H,1-3H2","InChI=1S/C4H7NO/c1-5-4-2-6-3-4/h2-3H2,1H3",57.67484,-16.28511,
4943,[C:1]1([H:7])([H:8])[N:2]([H:9])[C:3]12[C:4]([H:10])([H:11])[O:5][C:6]2([H:12])[H:13],[C:1](=[N:2][H:9])([H:7])[H:8].[C:3]1([H:11])=[C:4]([H:10])[O:5][C:6]1([H:12])[H:13],"InChI=1S/C4H7NO/c1-4(5-1)2-6-3-4/h5H,1-3H2","InChI=1S/C3H4O.CH3N/c1-2-4-3-1;1-2/h1-2H,3H2;2H,1H2",76.21339,10.70277,
4944,[C:1]1([H:7])([H:8])[N:2]([H:9])[C:3]12[C:4]([H:10])([H:11])[O:5][C:6]2([H:12])[H:13],[C:1]1([H:7])([H:8])[C:3](=[N:2][H:9])[C:6]([H:12])([H:13])[O:5]1.[C:4]([H:10])[H:11],"InChI=1S/C4H7NO/c1-4(5-1)2-6-3-4/h5H,1-3H2","InChI=1S/C3H5NO.CH2/c4-3-1-5-2-3;/h4H,1-2H2;1H2",86.16306,96.57853,1+2_Cycloaddition
4945,[C:1]1([H:7])([H:8])[N:2]([H:9])[C:3]12[C:4]([H:10])([H:11])[O:5][C:6]2([H:12])[H:13],[C:1]([N:2]([C:3]1([H:8])[C:4]([H:10])([H:11])[O:5][C:6]1([H:12])[H:13])[H:9])[H:7],"InChI=1S/C4H7NO/c1-4(5-1)2-6-3-4/h5H,1-3H2","InChI=1S/C4H7NO/c1-5-4-2-6-3-4/h1,4-5H,2-3H2",69.87314,32.09301,
4946,[C:1]1([H:7])([H:8])[N:2]([H:9])[C:3]12[C:4]([H:10])([H:11])[O:5][C:6]2([H:12])[H:13],[C:1](=[N:2][C:3]1([H:9])[C:4]([H:10])([H:11])[O:5][C:6]1([H:12])[H:13])([H:7])[H:8],"InChI=1S/C4H7NO/c1-4(5-1)2-6-3-4/h5H,1-3H2","InChI=1S/C4H7NO/c1-5-4-2-6-3-4/h4H,1-3H2",66.08684000000001,-10.14217,
4947,[C:1]1([H:7])([H:8])[N:2]([H:9])[C:3]12[C:4]([H:10])([H:11])[O:5][C:6]2([H:12])[H:13],[C-:1]1([H:8])[N+:2]([H:7])([H:9])[C:3]12[C:4]([H:10])([H:11])[O:5][C:6]2([H:12])[H:13],"InChI=1S/C4H7NO/c1-4(5-1)2-6-3-4/h5H,1-3H2","InChI=1S/C4H7NO/c1-4(5-1)2-6-3-4/h1H,2-3,5H2",61.7893,51.819559999999996,
4948,[C:1]1([H:7])([H:8])[N:2]([H:9])[C:3]12[C:4]([H:10])([H:11])[O:5][C:6]2([H:12])[H:13],[C:1]([N:2]([H:9])[H:13])([C@:3]1([C:6][H:12])[C:4]([H:10])([H:11])[O:5]1)([H:7])[H:8],"InChI=1S/C4H7NO/c1-4(5-1)2-6-3-4/h5H,1-3H2","InChI=1S/C4H7NO/c1-4(2-5)3-6-4/h1H,2-3,5H2/t4-/m1/s1",98.8049,70.88409,
4949,[C:1]1([H:7])([H:8])[N:2]([H:9])[C:3]12[C:4]([H:10])([H:11])[O:5][C:6]2([H:12])[H:13],[C:1]1([H:7])([H:8])[N:2]([H:9])[C@:3]1([C:6]([O+:5]=[C-:4][H:10])([H:12])[H:13])[H:11],"InChI=1S/C4H7NO/c1-4(5-1)2-6-3-4/h5H,1-3H2","InChI=1S/C4H7NO/c1-6-3-4-2-5-4/h1,4-5H,2-3H2/t4-/m1/s1",76.30887,47.42237,
4950,[C:1]1([H:7])([H:8])[N:2]([H:9])[C:3]12[C:4]([H:10])([H:11])[O:5][C:6]2([H:12])[H:13],[C:1]1([H:7])([H:8])[N:2]([H:9])[C@:3]12[C-:4]=[O+:5][C:6]2([H:12])[H:13].[H:10][H:11],"InChI=1S/C4H7NO/c1-4(5-1)2-6-3-4/h5H,1-3H2","InChI=1S/C4H5NO.H2/c1-4(5-1)2-6-3-4;/h5H,1-2H2;1H/t4-;/m1./s1",74.24829,65.77643,
4951,[C:1]1([H:7])([H:8])[N:2]([H:9])[C:3]12[C:4]([H:10])([H:11])[O:5][C:6]2([H:12])[H:13],[C:1]1([H:7])([H:8])[N:2]([H:9])[C:3]1=[C:6]([H:12])[H:13].[C:4](=[O:5])([H:10])[H:11],"InChI=1S/C4H7NO/c1-4(5-1)2-6-3-4/h5H,1-3H2","InChI=1S/C3H5N.CH2O/c1-3-2-4-3;1-2/h4H,1-2H2;1H2",53.33354,9.569460000000001,2+2_cycloaddition
4952,[C:1]1([H:7])([H:8])[N:2]([H:9])[C:3]12[C:4]([H:10])([H:11])[O:5][C:6]2([H:12])[H:13],[C:1]1([H:7])([H:8])[N:2]([H:9])[C:3]12[C-:4]([H:10])[O+:5]=[C:6]2[H:12].[H:11][H:13],"InChI=1S/C4H7NO/c1-4(5-1)2-6-3-4/h5H,1-3H2","InChI=1S/C4H5NO.H2/c1-4(5-1)2-6-3-4;/h2-3,5H,1H2;1H",80.71838000000001,76.75188,
4953,[C:1]1([H:7])([H:8])[N:2]([H:9])[C:3]12[C:4]([H:10])([H:11])[O:5][C:6]2([H:12])[H:13],[C:1]1([H:7])([H:8])[N:2]2[C:3]1([C:6]([O:5][H:9])([H:12])[H:13])[C:4]2([H:10])[H:11],"InChI=1S/C4H7NO/c1-4(5-1)2-6-3-4/h5H,1-3H2","InChI=1S/C4H7NO/c6-3-4-1-5(4)2-4/h6H,1-3H2",81.23949,-1.28284,
4954,[C:1]1([H:7])([H:8])[N:2]([H:9])[C:3]12[C:4]([H:10])([H:11])[O:5][C:6]2([H:12])[H:13],[C-:1]1([H:7])[N:2]([H:9])[C@:3]12[C:4]([H:11])=[O+:5][C:6]2([H:12])[H:13].[H:8][H:10],"InChI=1S/C4H7NO/c1-4(5-1)2-6-3-4/h5H,1-3H2","InChI=1S/C4H5NO.H2/c1-4(5-1)2-6-3-4;/h1-2,5H,3H2;1H/t4-;/m0./s1",97.59962,78.0604,
4955,[C:1]([C@@:2]([N:3]([H:10])[H:11])([C:4]#[N:5])[H:9])([H:6])([H:7])[H:8],[C:1]1([H:6])([H:8])[C@:2]([N:3]([H:10])[H:11])([H:9])/[C:4]1=[N:5]/[H:7],"InChI=1S/C3H6N2/c1-3(5)2-4/h3H,5H2,1H3/t3-/m1/s1","InChI=1S/C3H6N2/c4-2-1-3(2)5/h2,5H,1,4H2/b5-3+/t2-/m1/s1",106.33542,35.41576,
4956,[C:1]([C@@:2]([N:3]([H:10])[H:11])([C:4]#[N:5])[H:9])([H:6])([H:7])[H:8],[C:1]([C-:2]([N+:3]([H:9])([H:10])[H:11])[C:4]#[N:5])([H:6])([H:7])[H:8],"InChI=1S/C3H6N2/c1-3(5)2-4/h3H,5H2,1H3/t3-/m1/s1","InChI=1S/C3H6N2/c1-3(5)2-4/h1,5H3",68.29698,47.06293,
4957,[C:1]([C@@:2]([N:3]([H:10])[H:11])([C:4]#[N:5])[H:9])([H:6])([H:7])[H:8],[C:1]([C@@:2]([N:3]([H:10])[H:11])([N+:5]#[C-:4])[H:9])([H:6])([H:7])[H:8],"InChI=1S/C3H6N2/c1-3(5)2-4/h3H,5H2,1H3/t3-/m1/s1","InChI=1S/C3H6N2/c1-3(4)5-2/h3H,4H2,1H3/t3-/m0/s1",45.01008,22.105970000000003,
4958,[C:1]([C@@:2]([N:3]([H:10])[H:11])([C:4]#[N:5])[H:9])([H:6])([H:7])[H:8],[C:1](=[C:2]([C:4]#[N:5])[H:9])([H:6])[H:8].[N:3]([H:7])([H:10])[H:11],"InChI=1S/C3H6N2/c1-3(5)2-4/h3H,5H2,1H3/t3-/m1/s1","InChI=1S/C3H3N.H3N/c1-2-3-4;/h2H,1H2;1H3",64.45953,14.255070000000002,"1,3_NH3_elimination"
4959,[C:1]([C@@:2]([N:3]([H:10])[H:11])([C:4]#[N:5])[H:9])([H:6])([H:7])[H:8],[C:1](/[C:2](=[N:3]/[H:10])[C:4]#[N:5])([H:6])([H:8])[H:9].[H:7][H:11],"InChI=1S/C3H6N2/c1-3(5)2-4/h3H,5H2,1H3/t3-/m1/s1","InChI=1S/C3H4N2.H2/c1-3(5)2-4;/h5H,1H3;1H/b5-3-;",95.33946999999999,21.50517,
4960,[C:1]([C@@:2]([N:3]([H:10])[H:11])([C:4]#[N:5])[H:9])([H:6])([H:7])[H:8],[C:1]([C:2]([N:3]([H:10])[H:11])=[C:4]=[N:5][H:9])([H:6])([H:7])[H:8],"InChI=1S/C3H6N2/c1-3(5)2-4/h3H,5H2,1H3/t3-/m1/s1","InChI=1S/C3H6N2/c1-3(5)2-4/h4H,5H2,1H3",83.06979,19.917070000000002,
4961,[C:1]([C@@:2]([N:3]([H:10])[H:11])([C:4]#[N:5])[H:9])([H:6])([H:7])[H:8],[C+:2]([N:3]([H:10])[H:11])=[C:4]=[N-:5].[C:1]([H:6])([H:7])([H:8])[H:9],"InChI=1S/C3H6N2/c1-3(5)2-4/h3H,5H2,1H3/t3-/m1/s1",InChI=1S/C2H2N2.CH4/c3-1-2-4;/h3H2;1H4,61.491580000000006,42.547470000000004,
4962,[C:1]([C@@:2]([N:3]([H:10])[H:11])([C:4]#[N:5])[H:9])([H:6])([H:7])[H:8],[C:1](/[C:2](=[N:3]\[H:11])[H:9])([H:6])([H:7])[H:8].[C:4]=[N:5][H:10],"InChI=1S/C3H6N2/c1-3(5)2-4/h3H,5H2,1H3/t3-/m1/s1","InChI=1S/C2H5N.CHN/c1-2-3;1-2/h2-3H,1H3;2H/b3-2-;",48.9536,41.32113,
4963,[C:1]([C@@:2]([N:3]([H:10])[H:11])([C:4]#[N:5])[H:9])([H:6])([H:7])[H:8],[C:1]([C@@:2]1([H:9])[C:4]([N:3]([H:10])[H:11])=[N:5]1)([H:6])([H:7])[H:8],"InChI=1S/C3H6N2/c1-3(5)2-4/h3H,5H2,1H3/t3-/m1/s1","InChI=1S/C3H6N2/c1-2-3(4)5-2/h2H,1H3,(H2,4,5)/t2-/m0/s1",79.21425,25.133329999999997,
4964,[C:1]1([H:5])([H:6])[C:2]([H:7])([H:8])[O:3][C:4]1([H:9])[H:10],[C:1]1([H:5])=[C:2]([H:8])[O:3][C:4]1([H:9])[H:10].[H:6][H:7],InChI=1S/C3H6O/c1-2-4-3-1/h1-3H2,"InChI=1S/C3H4O.H2/c1-2-4-3-1;/h1-2H,3H2;1H",105.2026,31.87487,
4965,[C:1]1([H:5])([H:6])[C:2]([H:7])([H:8])[O:3][C:4]1([H:9])[H:10],[C:1]([C:2]([O:3][H:5])([H:7])[H:8])(=[C:4]([H:9])[H:10])[H:6],InChI=1S/C3H6O/c1-2-4-3-1/h1-3H2,"InChI=1S/C3H6O/c1-2-3-4/h2,4H,1,3H2",83.33043,-12.86005,
4966,[C:1]1([H:5])([H:6])[C:2]([H:7])([H:8])[O:3][C:4]1([H:9])[H:10],[C:1](=[C:4]([H:9])[H:10])([H:5])[H:6].[C:2](=[O:3])([H:7])[H:8],InChI=1S/C3H6O/c1-2-4-3-1/h1-3H2,InChI=1S/C2H4.CH2O/c2*1-2/h1-2H2;1H2,56.02542,5.4418,2+2_cycloaddition
4967,[C:1]1([H:5])([H:6])[C:2]([H:7])([H:8])[O:3][C:4]1([H:9])[H:10],[C:1]([C:2]([O+:3]=[C-:4][H:10])([H:7])[H:8])([H:5])([H:6])[H:9],InChI=1S/C3H6O/c1-2-4-3-1/h1-3H2,"InChI=1S/C3H6O/c1-3-4-2/h2H,3H2,1H3",78.27733,44.369820000000004,
4968,[C:1]1([H:5])([H:6])[C:2]([H:7])([H:8])[O:3][C:4]1([H:9])[H:10],[C:1]1([H:5])([H:6])[O:3][C:4]1([H:9])[H:10].[C:2]([H:7])[H:8],InChI=1S/C3H6O/c1-2-4-3-1/h1-3H2,InChI=1S/C2H4O.CH2/c1-2-3-1;/h1-2H2;1H2,113.40624,118.82861000000001,
4969,[C:1]1([H:5])([H:6])[C:2]([H:7])([H:8])[O:3][C:4]1([H:9])[H:10],[C:1]1([H:5])([H:6])[C:2]([H:7])([H:8])[O+:3]=[C-:4]1.[H:9][H:10],InChI=1S/C3H6O/c1-2-4-3-1/h1-3H2,InChI=1S/C3H4O.H2/c1-2-4-3-1;/h1-2H2;1H,76.01850999999999,68.9177,
4970,[C:1]([C@@:2]1([H:10])[O:3][C@@:4]2([H:11])[C:5]([H:12])([H:13])[C@@:6]12[H:14])([H:7])([H:8])[H:9],[C:1]([C@@:6]1([H:14])[C:2]([H:10])=[O+:3][C-:4]([H:11])[C:5]1([H:12])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-3-4-2-5(4)6-3/h3-5H,2H2,1H3/t3-,4+,5+/m1/s1","InChI=1S/C5H8O/c1-5-2-3-6-4-5/h3-5H,2H2,1H3/t5-/m1/s1",73.47452,15.183589999999999,
4971,[C:1]([C@@:2]1([H:10])[O:3][C@@:4]2([H:11])[C:5]([H:12])([H:13])[C@@:6]12[H:14])([H:7])([H:8])[H:9],[C:1](/[C:2](=[C:6](\[C:5]([C:4](=[O:3])[H:11])([H:12])[H:13])[H:14])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-3-4-2-5(4)6-3/h3-5H,2H2,1H3/t3-,4+,5+/m1/s1","InChI=1S/C5H8O/c1-2-3-4-5-6/h2-3,5H,4H2,1H3/b3-2-",30.159740000000003,-32.45111,
4972,[C:1]([C@@:2]1([H:10])[O:3][C@@:4]2([H:11])[C:5]([H:12])([H:13])[C@@:6]12[H:14])([H:7])([H:8])[H:9],[C:1]([C@:2]1([H:10])[O:3][C@@:4]([C:5]([H:12])([H:13])[H:14])([H:11])[C:6]1)([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-3-4-2-5(4)6-3/h3-5H,2H2,1H3/t3-,4+,5+/m1/s1","InChI=1S/C5H8O/c1-4-3-5(2)6-4/h4-5H,1-2H3/t4-,5+",59.84571999999999,58.98001,
4973,[C:1]([C@@:2]1([H:10])[O:3][C@@:4]2([H:11])[C:5]([H:12])([H:13])[C@@:6]12[H:14])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[O+:3]=[C-:4][C@:6]1([C:5]([H:11])([H:12])[H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-3-4-2-5(4)6-3/h3-5H,2H2,1H3/t3-,4+,5+/m1/s1","InChI=1S/C5H8O/c1-4-3-6-5(4)2/h4-5H,1-2H3/t4-,5-/m1/s1",47.70232,26.97772,
4974,[C:1]([C@@:2]1([H:10])[O:3][C@@:4]2([H:11])[C:5]([H:12])([H:13])[C@@:6]12[H:14])([H:7])([H:8])[H:9],[C:1](=[C:2]([C@@:6]1([H:14])[C@:4]([O:3][H:7])([H:11])[C:5]1([H:12])[H:13])[H:10])([H:8])[H:9],"InChI=1S/C5H8O/c1-3-4-2-5(4)6-3/h3-5H,2H2,1H3/t3-,4+,5+/m1/s1","InChI=1S/C5H8O/c1-2-4-3-5(4)6/h2,4-6H,1,3H2/t4-,5+/m1/s1",55.07989,-14.961960000000001,
4975,[C:1]([C@@:2]1([H:10])[O:3][C@@:4]2([H:11])[C:5]([H:12])([H:13])[C@@:6]12[H:14])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[O:3][C:4]([H:11])([H:14])[C:5]([H:12])([H:13])[C:6]1)([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-3-4-2-5(4)6-3/h3-5H,2H2,1H3/t3-,4+,5+/m1/s1","InChI=1S/C5H8O/c1-5-3-2-4-6-5/h5H,2,4H2,1H3/t5-/m1/s1",61.15708000000001,39.50571,
4976,[C:1]([C@@:2]1([H:10])[O:3][C@@:4]2([H:11])[C:5]([H:12])([H:13])[C@@:6]12[H:14])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[O+:3]=[C-:4][C:5]([H:12])([H:13])[C:6]1([H:11])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-3-4-2-5(4)6-3/h3-5H,2H2,1H3/t3-,4+,5+/m1/s1","InChI=1S/C5H8O/c1-5-3-2-4-6-5/h5H,2-3H2,1H3/t5-/m1/s1",53.396080000000005,5.7948,
4977,[C:1]([C@@:2]1([H:10])[O:3][C@@:4]2([H:11])[C:5]([H:12])([H:13])[C@@:6]12[H:14])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[O:3][C@:4]([C:5][H:13])([H:11])[C:6]1([H:12])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-3-4-2-5(4)6-3/h3-5H,2H2,1H3/t3-,4+,5+/m1/s1","InChI=1S/C5H8O/c1-4-3-5(2)6-4/h1,4-5H,3H2,2H3/t4-,5+/m0/s1",61.997040000000005,61.52721999999999,
4978,[C:1]([C@@:2]1([H:10])[O:3][C@@:4]2([H:11])[C:5]([H:12])([H:13])[C@@:6]12[H:14])([H:7])([H:8])[H:9],[C:1]([O:3][C@@:4]1([H:11])[C:5]([H:12])([H:13])[C@:6]1([C:2][H:10])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-3-4-2-5(4)6-3/h3-5H,2H2,1H3/t3-,4+,5+/m1/s1","InChI=1S/C5H8O/c1-4-3-5(4)6-2/h1,4-5H,3H2,2H3/t4-,5+/m1/s1",110.15299999999999,66.30237,
4979,[C:1]([C@@:2]1([H:10])[O:3][C@@:4]2([H:11])[C:5]([H:12])([H:13])[C@@:6]12[H:14])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[O:3][C@:4]1([C:5]([C:6][H:14])([H:12])[H:13])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-3-4-2-5(4)6-3/h3-5H,2H2,1H3/t3-,4+,5+/m1/s1","InChI=1S/C5H8O/c1-3-5-4(2)6-5/h1,4-5H,3H2,2H3/t4-,5+/m1/s1",67.983,73.18921,
4980,[C:1]([C@@:2]1([H:10])[O:3][C@@:4]2([H:11])[C:5]([H:12])([H:13])[C@@:6]12[H:14])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[O:3][C:4]([H:11])([H:13])[C:5]([H:12])=[C:6]1[H:14])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-3-4-2-5(4)6-3/h3-5H,2H2,1H3/t3-,4+,5+/m1/s1","InChI=1S/C5H8O/c1-5-3-2-4-6-5/h2-3,5H,4H2,1H3/t5-/m1/s1",64.81031,-29.18893,
4981,[C:1]([C@@:2]1([H:10])[O:3][C@@:4]2([H:11])[C:5]([H:12])([H:13])[C@@:6]12[H:14])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[O:3][C:4]([H:11])([H:12])[C@:6]1([C:5][H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-3-4-2-5(4)6-3/h3-5H,2H2,1H3/t3-,4+,5+/m1/s1","InChI=1S/C5H8O/c1-4-3-6-5(4)2/h1,4-5H,3H2,2H3/t4-,5-/m1/s1",63.98261,67.67535,
4982,[C:1]([C@@:2]1([H:10])[O:3][C@@:4]2([H:11])[C:5]([H:12])([H:13])[C@@:6]12[H:14])([H:7])([H:8])[H:9],[C:1]([C@@:2]([O:3][C:4](=[C:5]([H:12])[H:13])[H:11])([C:6][H:14])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-3-4-2-5(4)6-3/h3-5H,2H2,1H3/t3-,4+,5+/m1/s1","InChI=1S/C5H8O/c1-4-6-5(2)3/h2,4-5H,1H2,3H3/t5-/m0/s1",66.24372,64.0497,
4983,[C:1]([C@@:2]1([H:10])[O:3][C@@:4]2([H:11])[C:5]([H:12])([H:13])[C@@:6]12[H:14])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[O:3][C:4]([H:11])=[C:5]([H:12])[C:6]1([H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-3-4-2-5(4)6-3/h3-5H,2H2,1H3/t3-,4+,5+/m1/s1","InChI=1S/C5H8O/c1-5-3-2-4-6-5/h2,4-5H,3H2,1H3/t5-/m1/s1",60.7169,-33.67877,
4984,[C:1]([C@@:2]1([C:5]#[N:6])[C:3]([H:10])([H:11])[N:4]1[H:12])([H:7])([H:8])[H:9],[C:1]([C@@:2]([N:4]([C:3][H:11])[H:12])([C:5]#[N:6])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H6N2/c1-4(2-5)3-6-4/h6H,3H2,1H3/t4-/m1/s1","InChI=1S/C4H6N2/c1-4(3-5)6-2/h2,4,6H,1H3/t4-/m1/s1",75.4442,36.48952,
4985,[C:1]([C@@:2]1([C:5]#[N:6])[C:3]([H:10])([H:11])[N:4]1[H:12])([H:7])([H:8])[H:9],[C:1]([C:2][C:3]([N:4]([C:5]#[N:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H6N2/c1-4(2-5)3-6-4/h6H,3H2,1H3/t4-/m1/s1","InChI=1S/C4H6N2/c1-2-3-6-4-5/h6H,3H2,1H3",75.95777,68.08742,
4986,[C:1]([C@@:2]1([C:5]#[N:6])[C:3]([H:10])([H:11])[N:4]1[H:12])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([C:5]#[N:6])[C-:3]([H:10])[N+:4]1([H:11])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H6N2/c1-4(2-5)3-6-4/h6H,3H2,1H3/t4-/m1/s1","InChI=1S/C4H6N2/c1-4(2-5)3-6-4/h3H,6H2,1H3/t4-/m1/s1",63.954280000000004,52.574569999999994,
4987,[C:1]([C@@:2]1([C:5]#[N:6])[C:3]([H:10])([H:11])[N:4]1[H:12])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([C-:5]=[N:6][H:11])[C+:3]([H:10])[N:4]1[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H6N2/c1-4(2-5)3-6-4/h6H,3H2,1H3/t4-/m1/s1","InChI=1S/C4H6N2/c1-4(2-5)3-6-4/h3,5-6H,1H3/t4-/m1/s1",123.16716000000001,74.54428,
4988,[C:1]([C@@:2]1([C:5]#[N:6])[C:3]([H:10])([H:11])[N:4]1[H:12])([H:7])([H:8])[H:9],[C:1](/[C:2](=[N:4]\[C:3]([H:10])([H:11])[H:12])[C:5]#[N:6])([H:7])([H:8])[H:9],"InChI=1S/C4H6N2/c1-4(2-5)3-6-4/h6H,3H2,1H3/t4-/m1/s1",InChI=1S/C4H6N2/c1-4(3-5)6-2/h1-2H3/b6-4+,64.12301,-11.00315,
4989,[C:1]([C@@:2]1([C:5]#[N:6])[C:3]([H:10])([H:11])[N:4]1[H:12])([H:7])([H:8])[H:9],[C:1]([C:2]1=[C:5]=[N:6][C:3]([H:10])([H:11])[N:4]1[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H6N2/c1-4(2-5)3-6-4/h6H,3H2,1H3/t4-/m1/s1","InChI=1S/C4H6N2/c1-4-2-5-3-6-4/h6H,3H2,1H3",81.50780999999999,40.06351,
4990,[C:1]([C@@:2]1([C:5]#[N:6])[C:3]([H:10])([H:11])[N:4]1[H:12])([H:7])([H:8])[H:9],[C:1]([N:6]=[C:5]=[C:2]1[C:3]([H:10])([H:11])[N:4]1[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H6N2/c1-4(2-5)3-6-4/h6H,3H2,1H3/t4-/m1/s1","InChI=1S/C4H6N2/c1-5-2-4-3-6-4/h6H,3H2,1H3",91.19124000000001,38.71589,
4991,[C:1]([C@@:2]1([C:5]#[N:6])[C:3]([H:10])([H:11])[N:4]1[H:12])([H:7])([H:8])[H:9],[C:1]([C:2]([N:4]([C+:3]([H:10])[H:11])[H:12])=[C:5]=[N-:6])([H:7])([H:8])[H:9],"InChI=1S/C4H6N2/c1-4(2-5)3-6-4/h6H,3H2,1H3/t4-/m1/s1","InChI=1S/C4H6N2/c1-4(3-5)6-2/h6H,2H2,1H3",33.149029999999996,8.44557,
4992,[C:1]([C@@:2]1([C:5]#[N:6])[C:3]([H:10])([H:11])[N:4]1[H:12])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([N+:6]#[C-:5])[C:3]([H:10])([H:11])[N:4]1[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H6N2/c1-4(2-5)3-6-4/h6H,3H2,1H3/t4-/m1/s1","InChI=1S/C4H6N2/c1-4(5-2)3-6-4/h6H,3H2,1H3/t4-/m0/s1",57.24665,24.2692,
4993,[C:1]([C@@:2]1([C:5]#[N:6])[C:3]([H:10])([H:11])[N:4]1[H:12])([H:7])([H:8])[H:9],[C:1]([N+:4]1([H:12])[C-:2]([C:5]#[N:6])[C:3]1([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H6N2/c1-4(2-5)3-6-4/h6H,3H2,1H3/t4-/m1/s1","InChI=1S/C4H6N2/c1-6-3-4(6)2-5/h6H,3H2,1H3",89.20936,48.20368,
4994,[n:1]1([H:6])[c:2]([H:7])[n:3][c:4]([H:8])[n:5]1,[N:1]1=[N:5][C:4]([H:8])=[N:3][C:2]1([H:6])[H:7],"InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)","InChI=1S/C2H3N3/c1-3-2-5-4-1/h1H,2H2",50.19421,31.16292,
4995,[n:1]1([H:6])[c:2]([H:7])[n:3][c:4]([H:8])[n:5]1,[N:1]([N:5]=[C:4]([N+:3]#[C-:2])[H:8])([H:6])[H:7],"InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)","InChI=1S/C2H3N3/c1-4-2-5-3/h2H,3H2",67.56761,44.31575,
4996,[n:1]1([H:6])[c:2]([H:7])[n:3][c:4]([H:8])[n:5]1,[N:1](/[C:2](=[N:3]\[H:8])[H:7])([N+:5]#[C-:4])[H:6],"InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)","InChI=1S/C2H3N3/c1-4-5-2-3/h2H,(H2,3,5)",79.85229,54.792680000000004,
4997,[n:1]1([H:6])[c:2]([H:7])[n:3][c:4]([H:8])[n:5]1,[C:2](#[N:3])[H:7].[N-:1]([N+:5]#[C:4][H:8])[H:6],"InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)",InChI=1S/CH2N2.CHN/c1-3-2;1-2/h1-2H;1H,74.37337,67.95859,
4998,[n:1]1([H:6])[c:2]([H:7])[n:3][c:4]([H:8])[n:5]1,[n:1]1([H:6])[c-:2][n+:3]([H:7])[c:4]([H:8])[n:5]1,"InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)","InChI=1S/C2H3N3/c1-3-2-5-4-1/h1,3H,(H,4,5)",69.82731,28.892020000000002,
4999,[n:1]1([H:6])[c:2]([H:7])[n:3][c:4]([H:8])[n:5]1,[N-:1]([N:5]=[C:4]([N+:3]#[C:2][H:7])[H:8])[H:6],"InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)",InChI=1S/C2H3N3/c1-4-2-5-3/h1-3H,99.50546,70.78944,
5000,[n:1]1([H:6])[c:2]([H:7])[n:3][c:4]([H:8])[n:5]1,[N:1]1([H:6])[C:2]([H:7])=[N+:3]=[C-:4][N:5]1[H:8],"InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)","InChI=1S/C2H3N3/c1-3-2-5-4-1/h1,4-5H",80.05594,55.45454,
5001,[n:1]1([H:6])[c:2]([H:7])[n:3][c:4]([H:8])[n:5]1,[N:1]([C@@:2]1([H:7])[N:3]=[C:4]1[H:8])([N:5])[H:6],"InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)","InChI=1S/C2H3N3/c3-5-2-1-4-2/h1-2,5H/t2-/m1/s1",129.17153000000002,91.70648,
5002,[n:1]1([H:6])[c:2]([H:7])[n:3][c:4]([H:8])[n:5]1,[N:1](=[C:2]([N:3]=[C:4]=[N:5][H:8])[H:7])[H:6],"InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)","InChI=1S/C2H3N3/c3-1-5-2-4/h1,3-4H",73.9175,6.06036,
5003,[n:1]1([H:6])[c:2]([H:7])[n:3][c:4]([H:8])[n:5]1,[N:1]([C:2]([N+:3]#[C:4][H:8])[H:7])([N-:5])[H:6],"InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)",InChI=1S/C2H2N3/c1-4-2-5-3/h1-2H/q-1/p+1,102.01874000000001,96.60096999999999,
5004,[n:1]1([H:6])[c:2]([H:7])[n:3][c:4]([H:8])[n:5]1,[N:1]1([H:6])[C-:2]([H:7])[N+:3]([H:8])=[C:4]=[N:5]1,"InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)","InChI=1S/C2H3N3/c1-3-2-5-4-1/h1,3-4H",84.11815,47.90767,
5005,[C:1]([N:2]1[C:3]([H:10])([H:11])[C@:4]1([C:5]#[C:6][H:13])[H:12])([H:7])([H:8])[H:9],[C:1]([N+:2]1([H:11])[C-:3]([H:10])[C@:4]1([C:5]#[C:6][H:13])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-3-5-4-6(5)2/h1,5H,4H2,2H3/t5-,6?/m1/s1","InChI=1S/C5H7N/c1-3-5-4-6(5)2/h1,4-6H,2H3/t5-/m1/s1",64.99061999999999,52.47715,
5006,[C:1]([N:2]1[C:3]([H:10])([H:11])[C@:4]1([C:5]#[C:6][H:13])[H:12])([H:7])([H:8])[H:9],[C:1]([N:2]1[C:3]([H:10])([H:11])/[C:4]1=[C:5](/[C:6][H:13])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-3-5-4-6(5)2/h1,5H,4H2,2H3/t5-,6?/m1/s1","InChI=1S/C5H7N/c1-3-5-4-6(5)2/h1,3H,4H2,2H3/b5-3-",68.08959,51.018240000000006,
5007,[C:1]([N:2]1[C:3]([H:10])([H:11])[C@:4]1([C:5]#[C:6][H:13])[H:12])([H:7])([H:8])[H:9],[C:1]([N+:2]([C-:3]([H:10])[H:11])=[C:4]([C:5]#[C:6][H:13])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-3-5-4-6(5)2/h1,5H,4H2,2H3/t5-,6?/m1/s1","InChI=1S/C5H7N/c1-4-5-6(2)3/h1,5H,2H2,3H3",28.88134,7.04537,
5008,[C:1]([N:2]1[C:3]([H:10])([H:11])[C@:4]1([C:5]#[C:6][H:13])[H:12])([H:7])([H:8])[H:9],[C:1]([N:2]1[C+:3]([H:10])[C@:4]1([C:5](=[C-:6][H:13])[H:11])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-3-5-4-6(5)2/h1,5H,4H2,2H3/t5-,6?/m1/s1","InChI=1S/C5H7N/c1-3-5-4-6(5)2/h1,3-5H,2H3/t5-,6?/m1/s1",80.05767,82.81714000000001,
5009,[C:1]([N:2]1[C:3]([H:10])([H:11])[C@:4]1([C:5]#[C:6][H:13])[H:12])([H:7])([H:8])[H:9],[C:1](=[N:2][C:3]([C:4](=[C:5]=[C:6]([H:8])[H:13])[H:12])([H:10])[H:11])([H:7])[H:9],"InChI=1S/C5H7N/c1-3-5-4-6(5)2/h1,5H,4H2,2H3/t5-,6?/m1/s1","InChI=1S/C5H7N/c1-3-4-5-6-2/h4H,1-2,5H2",22.77321,-21.4766,
5010,[C:1]([N:2]1[C:3]([H:10])([H:11])[C@:4]1([C:5]#[C:6][H:13])[H:12])([H:7])([H:8])[H:9],[C:1]([N:2]1[C:3]([H:10])([H:11])[C@:4]1([C:6](=[C:5])[H:13])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-3-5-4-6(5)2/h1,5H,4H2,2H3/t5-,6?/m1/s1","InChI=1S/C5H7N/c1-3-5-4-6(5)2/h3,5H,4H2,2H3/t5-,6?/m1/s1",55.624390000000005,51.36065,Singlet_Carbene_Intra_Disproportionation
5011,[C:1]([N:2]1[C:3]([H:10])([H:11])[C@:4]1([C:5]#[C:6][H:13])[H:12])([H:7])([H:8])[H:9],[C:1]([N:2]1[C@@:4]2([H:12])[C:3]([H:10])([H:11])[C:5]2=[C:6]1[H:13])([H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-3-5-4-6(5)2/h1,5H,4H2,2H3/t5-,6?/m1/s1","InChI=1S/C5H7N/c1-6-3-4-2-5(4)6/h3,5H,2H2,1H3/t5-/m0/s1",73.40701,31.40962,
5012,[C:1]([N:2]1[C:3]([H:10])([H:11])[C@:4]1([C:5]#[C:6][H:13])[H:12])([H:7])([H:8])[H:9],[C:1]([N:2]([C:3]([C-:4]=[C:5]=[C+:6][H:13])([H:10])[H:11])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-3-5-4-6(5)2/h1,5H,4H2,2H3/t5-,6?/m1/s1","InChI=1S/C5H7N/c1-3-4-5-6-2/h1,6H,5H2,2H3",62.02778000000001,47.83851,
5013,[C:1]([N:2]1[C:3]([H:10])([H:11])[C@:4]1([C:5]#[C:6][H:13])[H:12])([H:7])([H:8])[H:9],[C:1]([N:2]1[C:3]([H:10])([H:11])[C:4]1=[C:5]=[C:6]([H:12])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-3-5-4-6(5)2/h1,5H,4H2,2H3/t5-,6?/m1/s1","InChI=1S/C5H7N/c1-3-5-4-6(5)2/h1,4H2,2H3",86.48695,-0.76236,
5014,[C:1]([N:2]1[C:3]([H:10])([H:11])[C@:4]1([C:5]#[C:6][H:13])[H:12])([H:7])([H:8])[H:9],[C:1](=[N:2][H:8])([H:7])[H:9].[C:3](=[C:4]([C:5]#[C:6][H:13])[H:12])([H:10])[H:11],"InChI=1S/C5H7N/c1-3-5-4-6(5)2/h1,5H,4H2,2H3/t5-,6?/m1/s1","InChI=1S/C4H4.CH3N/c1-3-4-2;1-2/h1,4H,2H2;2H,1H2",83.80551,-1.23448,
5015,[C:1]([N:2]1[C:3]([H:10])([H:11])[C@:4]1([C:5]#[C:6][H:13])[H:12])([H:7])([H:8])[H:9],[C:1]([C:3](/[N:2]=[C:4](\[C:5]#[C:6][H:13])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-3-5-4-6(5)2/h1,5H,4H2,2H3/t5-,6?/m1/s1","InChI=1S/C5H7N/c1-3-5-6-4-2/h1,5H,4H2,2H3/b6-5-",87.75063,-21.65289,
5016,[C:1]([N:2]1[C:3]([H:10])([H:11])[C@:4]1([C:5]#[C:6][H:13])[H:12])([H:7])([H:8])[H:9],[C:1]([C@@:4]([N:2]=[C:3]([H:10])[H:11])([C:5]#[C:6][H:13])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-3-5-4-6(5)2/h1,5H,4H2,2H3/t5-,6?/m1/s1","InChI=1S/C5H7N/c1-4-5(2)6-3/h1,5H,3H2,2H3/t5-/m1/s1",85.21636,-17.21526,
5017,[C:1]([C@@:2]1([H:10])[C@@:3]2([H:11])[C:4]([H:12])([H:13])[O:5][C@@:6]12[H:14])([H:7])([H:8])[H:9],[C:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[O+:5]=[C-:6]1)([H:10])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-3-4-2-6-5(3)4/h3-5H,2H2,1H3/t3-,4+,5-/m0/s1","InChI=1S/C5H8O/c1-2-5-3-6-4-5/h5H,2-3H2,1H3/t5-/m0/s1",46.82817,28.83665,
5018,[C:1]([C@@:2]1([H:10])[C@@:3]2([H:11])[C:4]([H:12])([H:13])[O:5][C@@:6]12[H:14])([H:7])([H:8])[H:9],[C:1]([C:2]([C@@:6]1([H:14])[C:3][C:4]([H:12])([H:13])[O:5]1)([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-3-4-2-6-5(3)4/h3-5H,2H2,1H3/t3-,4+,5-/m0/s1","InChI=1S/C5H8O/c1-2-5-3-4-6-5/h5H,2,4H2,1H3/t5-/m0/s1",59.391180000000006,59.88349,
5019,[C:1]([C@@:2]1([H:10])[C@@:3]2([H:11])[C:4]([H:12])([H:13])[O:5][C@@:6]12[H:14])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3][C:4]([H:12])([H:13])[O:5][C:6]1([H:11])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-3-4-2-6-5(3)4/h3-5H,2H2,1H3/t3-,4+,5-/m0/s1","InChI=1S/C5H8O/c1-5-2-3-6-4-5/h5H,3-4H2,1H3/t5-/m0/s1",61.105669999999996,39.24584,
5020,[C:1]([C@@:2]1([H:10])[C@@:3]2([H:11])[C:4]([H:12])([H:13])[O:5][C@@:6]12[H:14])([H:7])([H:8])[H:9],[C:1]([C@@:2]([C:3](=[C:4]([H:12])[H:13])[H:11])([C:6](=[O:5])[H:14])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-3-4-2-6-5(3)4/h3-5H,2H2,1H3/t3-,4+,5-/m0/s1","InChI=1S/C5H8O/c1-3-5(2)4-6/h3-5H,1H2,2H3/t5-/m0/s1",27.14472,-33.53645,
5021,[C:1]([C@@:2]1([H:10])[C@@:3]2([H:11])[C:4]([H:12])([H:13])[O:5][C@@:6]12[H:14])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:14])[C:4]([H:12])([H:13])[O+:5]=[C-:6]1)([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-3-4-2-6-5(3)4/h3-5H,2H2,1H3/t3-,4+,5-/m0/s1","InChI=1S/C5H8O/c1-5-2-3-6-4-5/h5H,2-3H2,1H3/t5-/m0/s1",53.709140000000005,6.41345,
5022,[C:1]([C@@:2]1([H:10])[C@@:3]2([H:11])[C:4]([H:12])([H:13])[O:5][C@@:6]12[H:14])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]1=[C:6]([H:14])[O:5][C:4]1([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-3-4-2-6-5(3)4/h3-5H,2H2,1H3/t3-,4+,5-/m0/s1","InChI=1S/C5H8O/c1-2-5-3-6-4-5/h3H,2,4H2,1H3",59.39114,-9.94278,
5023,[C:1]([C@@:2]1([H:10])[C@@:3]2([H:11])[C:4]([H:12])([H:13])[O:5][C@@:6]12[H:14])([H:7])([H:8])[H:9],[C:1](/[C:2](=[C:6](\[O:5][C:4](=[C:3]([H:11])[H:13])[H:12])[H:14])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-3-4-2-6-5(3)4/h3-5H,2H2,1H3/t3-,4+,5-/m0/s1","InChI=1S/C5H8O/c1-3-5-6-4-2/h3-5H,2H2,1H3/b5-3-",81.11435,-22.374570000000002,
5024,[C:1]([C@@:2]1([H:10])[C@@:3]2([H:11])[C:4]([H:12])([H:13])[O:5][C@@:6]12[H:14])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:4]([H:12])([H:13])[O:5][C@@:6]1([C:3][H:11])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-3-4-2-6-5(3)4/h3-5H,2H2,1H3/t3-,4+,5-/m0/s1","InChI=1S/C5H8O/c1-4-3-6-5(4)2/h2,4-5H,3H2,1H3/t4-,5+/m0/s1",117.96033999999999,63.42686,
5025,[C:1]([C@@:2]1([H:10])[C@@:3]2([H:11])[C:4]([H:12])([H:13])[O:5][C@@:6]12[H:14])([H:7])([H:8])[H:9],[C:1]([C@@:6]1([H:14])[C:2]([H:10])=[C:3]([H:11])[C:4]([H:12])([H:13])[O:5]1)([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-3-4-2-6-5(3)4/h3-5H,2H2,1H3/t3-,4+,5-/m0/s1","InChI=1S/C5H8O/c1-5-3-2-4-6-5/h2-3,5H,4H2,1H3/t5-/m0/s1",89.77936,-32.01327,
5026,[C:1]([C@@:2]1([H:10])[C@@:3]2([H:11])[C:4]([H:12])([H:13])[O:5][C@@:6]12[H:14])([H:7])([H:8])[H:9],[C:1]([C:2]1([H:10])[C:3]([H:11])=[C:6]1[H:14])([H:7])([H:8])[H:9].[C:4](=[O:5])([H:12])[H:13],"InChI=1S/C5H8O/c1-3-4-2-6-5(3)4/h3-5H,2H2,1H3/t3-,4+,5-/m0/s1","InChI=1S/C4H6.CH2O/c1-4-2-3-4;1-2/h2-4H,1H3;1H2",61.46536,24.61659,2+2_cycloaddition
5027,[C:1]([C@@:2]1([H:10])[C@@:3]2([H:11])[C:4]([H:12])([H:13])[O:5][C@@:6]12[H:14])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C@@:3]2([H:11])[C-:4]=[O+:5][C@@:6]12[H:14])([H:7])([H:8])[H:9].[H:12][H:13],"InChI=1S/C5H8O/c1-3-4-2-6-5(3)4/h3-5H,2H2,1H3/t3-,4+,5-/m0/s1","InChI=1S/C5H6O.H2/c1-3-4-2-6-5(3)4;/h3-5H,1H3;1H/t3-,4+,5-;/m0./s1",75.60293,71.63995,
5028,[C:1]([C@@:2]1([H:10])[C@@:3]2([H:11])[C:4]([H:12])([H:13])[O:5][C@@:6]12[H:14])([H:7])([H:8])[H:9],[C:1](=[C:2]([H:9])[H:10])([H:7])[H:8].[C:3]1([H:11])=[C:6]([H:14])[O:5][C:4]1([H:12])[H:13],"InChI=1S/C5H8O/c1-3-4-2-6-5(3)4/h3-5H,2H2,1H3/t3-,4+,5-/m0/s1","InChI=1S/C3H4O.C2H4/c1-2-4-3-1;1-2/h1-2H,3H2;1-2H2",80.89587,16.484270000000002,
5029,[C:1]([C@@:2]1([H:10])[C@@:3]2([H:11])[C:4]([H:12])([H:13])[O:5][C@@:6]12[H:14])([H:7])([H:8])[H:9],[C:1]([C:2][C@@:6]1([H:14])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[O:5]1)([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-3-4-2-6-5(3)4/h3-5H,2H2,1H3/t3-,4+,5-/m0/s1","InChI=1S/C5H8O/c1-2-5-3-4-6-5/h5H,3-4H2,1H3/t5-/m0/s1",62.209309999999995,55.33883,
5030,[C:1]([C@@:2]1([H:10])[C@@:3]2([H:11])[C:4]([H:12])([H:13])[O:5][C@@:6]12[H:14])([H:7])([H:8])[H:9],[C:1]([C:2][C:3]1([H:11])[C:4]([H:12])([H:13])[O:5][C:6]1([H:10])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-3-4-2-6-5(3)4/h3-5H,2H2,1H3/t3-,4+,5-/m0/s1","InChI=1S/C5H8O/c1-2-5-3-6-4-5/h5H,3-4H2,1H3",63.53793,62.60094,
5031,[C:1]([C@@:2]1([H:10])[C@@:3]2([H:11])[C:4]([H:12])([H:13])[O:5][C@@:6]12[H:14])([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:10].[C:2]1=[C:3]([H:11])[C:4]([H:12])([H:13])[O:5][C:6]=1[H:14],"InChI=1S/C5H8O/c1-3-4-2-6-5(3)4/h3-5H,2H2,1H3/t3-,4+,5-/m0/s1","InChI=1S/C4H4O.CH4/c1-2-4-5-3-1;/h1,4H,3H2;1H4",81.84244,29.59647,
5032,[C:1]([C@@:2]1([H:10])[C@:3]([C:4]([H:12])([H:13])[H:14])([H:11])[C@:5]1([C:6]([H:16])([H:17])[H:18])[H:15])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3][C@:5]1([C:6]([H:16])([H:17])[H:18])[H:15])([H:7])([H:8])[H:9].[C:4]([H:11])([H:12])([H:13])[H:14],"InChI=1S/C6H12/c1-4-5(2)6(4)3/h4-6H,1-3H3/t4-,5+,6-","InChI=1S/C5H8.CH4/c1-4-3-5(4)2;/h4-5H,1-2H3;1H4/t4-,5+;",88.64409,91.19955999999999,
5033,[C:1]([C@@:2]1([H:10])[C@:3]([C:4]([H:12])([H:13])[H:14])([H:11])[C@:5]1([C:6]([H:16])([H:17])[H:18])[H:15])([H:7])([H:8])[H:9],[C:1]([C@@:2]([C:3]([C:4]([H:12])([H:13])[H:14])([H:11])[H:15])([C:5][C:6]([H:16])([H:17])[H:18])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C6H12/c1-4-5(2)6(4)3/h4-6H,1-3H3/t4-,5+,6-","InChI=1S/C6H12/c1-4-6(3)5-2/h6H,4H2,1-3H3/t6-/m0/s1",66.66428,69.41620999999999,
5034,[C:1]([C@@:2]1([H:10])[C@:3]([C:4]([H:12])([H:13])[H:14])([H:11])[C@:5]1([C:6]([H:16])([H:17])[H:18])[H:15])([H:7])([H:8])[H:9],[C:1]([C:2]1=[C:3]([H:11])[C@:5]1([C:6]([H:16])([H:17])[H:18])[H:15])([H:7])([H:8])[H:9].[C:4]([H:10])([H:12])([H:13])[H:14],"InChI=1S/C6H12/c1-4-5(2)6(4)3/h4-6H,1-3H3/t4-,5+,6-","InChI=1S/C5H8.CH4/c1-4-3-5(4)2;/h3-4H,1-2H3;1H4/t4-;/m1./s1",150.90049,34.6529,
5035,[C:1]([C@@:2]1([H:10])[C@:3]([C:4]([H:12])([H:13])[H:14])([H:11])[C@:5]1([C:6]([H:16])([H:17])[H:18])[H:15])([H:7])([H:8])[H:9],[C:1](=[C:2]([C@@:3]([C:4]([H:12])([H:13])[H:14])([C:5]([C:6]([H:8])([H:16])[H:18])([H:15])[H:17])[H:11])[H:10])([H:7])[H:9],"InChI=1S/C6H12/c1-4-5(2)6(4)3/h4-6H,1-3H3/t4-,5+,6-","InChI=1S/C6H12/c1-4-6(3)5-2/h4,6H,1,5H2,2-3H3/t6-/m1/s1",76.15046,-5.53724,
5036,[C:1]([C@@:2]1([H:10])[N:3]([H:11])[C@:4]1([C:5]#[N:6])[H:12])([H:7])([H:8])[H:9],[C:1]([C+:2]([N:3]([C:4](=[C:5]=[N-:6])[H:12])[H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H6N2/c1-3-4(2-5)6-3/h3-4,6H,1H3/t3-,4+/m1/s1","InChI=1S/C4H6N2/c1-2-6-4-3-5/h2,4,6H,1H3",28.882690000000004,7.00086,
5037,[C:1]([C@@:2]1([H:10])[N:3]([H:11])[C@:4]1([C:5]#[N:6])[H:12])([H:7])([H:8])[H:9],[C:1]([C+:2]1[N:3]([H:11])[C@:4]1([C-:5]=[N:6][H:10])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H6N2/c1-3-4(2-5)6-3/h3-4,6H,1H3/t3-,4+/m1/s1","InChI=1S/C4H6N2/c1-3-4(2-5)6-3/h4-6H,1H3/t4-/m0/s1",122.66403000000001,72.19563000000001,
5038,[C:1]([C@@:2]1([H:10])[N:3]([H:11])[C@:4]1([C:5]#[N:6])[H:12])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[N:3]([H:11])[C@:4]1([N+:6]#[C-:5])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H6N2/c1-3-4(2-5)6-3/h3-4,6H,1H3/t3-,4+/m1/s1","InChI=1S/C4H6N2/c1-3-4(5-2)6-3/h3-4,6H,1H3/t3-,4-/m1/s1",57.35376,25.27994,
5039,[C:1]([C@@:2]1([H:10])[N:3]([H:11])[C@:4]1([C:5]#[N:6])[H:12])([H:7])([H:8])[H:9],[C:1](/[C:2](=[N:3]/[C:4]([C:5]#[N:6])([H:11])[H:12])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H6N2/c1-3-4(2-5)6-3/h3-4,6H,1H3/t3-,4+/m1/s1","InChI=1S/C4H6N2/c1-2-6-4-3-5/h2H,4H2,1H3/b6-2+",67.82736,-9.57947,
5040,[C:1]([C@@:2]1([H:10])[N:3]([H:11])[C@:4]1([C:5]#[N:6])[H:12])([H:7])([H:8])[H:9],[C:1]([C:2][C@@:4]([N:3]([H:10])[H:11])([C:5]#[N:6])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H6N2/c1-3-4(2-5)6-3/h3-4,6H,1H3/t3-,4+/m1/s1","InChI=1S/C4H6N2/c1-2-4(6)3-5/h4H,6H2,1H3/t4-/m1/s1",63.475190000000005,61.73641,
5041,[C:1]([C@@:2]1([H:10])[N:3]([H:11])[C@:4]1([C:5]#[N:6])[H:12])([H:7])([H:8])[H:9],[C:1]([C@@:2]([N:3]([C:4][H:12])[H:11])([C:5]#[N:6])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H6N2/c1-3-4(2-5)6-3/h3-4,6H,1H3/t3-,4+/m1/s1","InChI=1S/C4H6N2/c1-4(3-5)6-2/h2,4,6H,1H3/t4-/m1/s1",76.31741,36.6765,
5042,[C:1]([C@@:2]1([H:10])[N:3]([H:11])[C@:4]1([C:5]#[N:6])[H:12])([H:7])([H:8])[H:9],[C:1]1([H:7])([H:9])[C:2]([H:8])([H:10])[N:3]([H:11])[C:4]([H:12])=[C:5]=[N:6]1,"InChI=1S/C4H6N2/c1-3-4(2-5)6-3/h3-4,6H,1H3/t3-,4+/m1/s1","InChI=1S/C4H6N2/c1-2-6-4-3-5-1/h1,5H,3-4H2",74.93689,30.840459999999997,
5043,[C:1]([C@@:2]1([H:10])[N:3]([H:11])[C@:4]1([C:5]#[N:6])[H:12])([H:7])([H:8])[H:9],[C:1]([C@@:2]([N:3]([C:5]#[N:6])[H:11])([C:4][H:12])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H6N2/c1-3-4(2-5)6-3/h3-4,6H,1H3/t3-,4+/m1/s1","InChI=1S/C4H6N2/c1-4(2)6-3-5/h1,4,6H,2H3/t4-/m0/s1",83.7732,74.52385,
5044,[C:1]([C@@:2]1([H:10])[N:3]([H:11])[C@:4]1([C:5]#[N:6])[H:12])([H:7])([H:8])[H:9],[C:1](=[C:2]1[N:3]([H:11])[C@:4]1([C:5]#[N:6])[H:12])([H:7])[H:9].[H:8][H:10],"InChI=1S/C4H6N2/c1-3-4(2-5)6-3/h3-4,6H,1H3/t3-,4+/m1/s1","InChI=1S/C4H4N2.H2/c1-3-4(2-5)6-3;/h4,6H,1H2;1H/t4-;/m0./s1",114.39003999999998,38.24757,
5045,[C:1]([C@@:2]1([H:10])[N:3]([H:11])[C@:4]1([C:5]#[N:6])[H:12])([H:7])([H:8])[H:9],[C:1]1([H:9])=[N+:6]=[C-:5][C@@:4]2([H:12])[C@:2]1([H:10])[N:3]2[H:11].[H:7][H:8],"InChI=1S/C4H6N2/c1-3-4(2-5)6-3/h3-4,6H,1H3/t3-,4+/m1/s1","InChI=1S/C4H4N2.H2/c1-3-4(6-3)2-5-1;/h1,3-4,6H;1H/t3-,4+;/m1./s1",121.36301999999999,105.19328999999999,
5046,[C:1]([C@@:2]1([H:10])[N:3]([H:11])[C@:4]1([C:5]#[N:6])[H:12])([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:10].[C:2]1[N:3]([H:11])[C@:4]1([C:5]#[N:6])[H:12],"InChI=1S/C4H6N2/c1-3-4(2-5)6-3/h3-4,6H,1H3/t3-,4+/m1/s1","InChI=1S/C3H2N2.CH4/c4-1-3-2-5-3;/h3,5H;1H4/t3-;/m0./s1",82.56106,60.310869999999994,
5047,[C:1]([C@@:2]1([H:10])[N:3]([H:11])[C@:4]1([C:5]#[N:6])[H:12])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[N:3]([H:11])[C:4]1=[C:5]=[N:6][H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H6N2/c1-3-4(2-5)6-3/h3-4,6H,1H3/t3-,4+/m1/s1","InChI=1S/C4H6N2/c1-3-4(2-5)6-3/h3,5-6H,1H3/t3-/m1/s1",101.31405,28.94861,
5048,[C:1]([C@@:2]1([H:10])[N:3]([H:11])[C@:4]1([C:5]#[N:6])[H:12])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[N:3]([H:11])[N:6]=[C:5]=[C:4]1[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H6N2/c1-3-4(2-5)6-3/h3-4,6H,1H3/t3-,4+/m1/s1","InChI=1S/C4H6N2/c1-4-2-3-5-6-4/h2,4,6H,1H3/t4-/m1/s1",79.12966,64.00003000000001,
5049,[C:1]([C@@:2]1([H:10])[N:3]([H:11])[C@:4]1([C:5]#[N:6])[H:12])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[N+:3]([H:11])([H:12])[C-:4]1[C:5]#[N:6])([H:7])([H:8])[H:9],"InChI=1S/C4H6N2/c1-3-4(2-5)6-3/h3-4,6H,1H3/t3-,4+/m1/s1","InChI=1S/C4H6N2/c1-3-4(2-5)6-3/h3H,6H2,1H3/t3-/m1/s1",55.74596,41.17876,
5050,[C:1]([C@@:2]1([H:10])[N:3]([H:11])[C@:4]1([C:5]#[N:6])[H:12])([H:7])([H:8])[H:9],[C:1]([C:2](/[N:3]=[C:4](/[C:5]#[N:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H6N2/c1-3-4(2-5)6-3/h3-4,6H,1H3/t3-,4+/m1/s1","InChI=1S/C4H6N2/c1-2-6-4-3-5/h4H,2H2,1H3/b6-4+",66.83396,-8.38943,
5051,[C:1]([C@@:2]1([H:10])[N:3]([H:11])[C@:4]1([C:5]#[N:6])[H:12])([H:7])([H:8])[H:9],[C:1]([C:2]([N:3]([C+:4]=[C:5]=[N-:6])[H:11])([H:10])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H6N2/c1-3-4(2-5)6-3/h3-4,6H,1H3/t3-,4+/m1/s1","InChI=1S/C4H6N2/c1-2-6-4-3-5/h6H,2H2,1H3",69.97381999999999,18.22537,
5052,[C:1]([C@@:2]1([H:10])[N:3]([H:11])[C@:4]1([C:5]#[N:6])[H:12])([H:7])([H:8])[H:9],[C:1]([C:2]1=[C:4]([C:5]#[N:6])[N:3]1[H:11])([H:7])([H:8])[H:9].[H:10][H:12],"InChI=1S/C4H6N2/c1-3-4(2-5)6-3/h3-4,6H,1H3/t3-,4+/m1/s1","InChI=1S/C4H4N2.H2/c1-3-4(2-5)6-3;/h6H,1H3;1H",102.06246999999999,59.86751999999999,
5053,[C:1]([C@@:2]1([H:10])[N:3]([H:11])[C@:4]1([C:5]#[N:6])[H:12])([H:7])([H:8])[H:9],[C:1]([C-:2]1[N+:3]([H:10])([H:11])[C@:4]1([C:5]#[N:6])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H6N2/c1-3-4(2-5)6-3/h3-4,6H,1H3/t3-,4+/m1/s1","InChI=1S/C4H6N2/c1-3-4(2-5)6-3/h4H,6H2,1H3/t4-/m0/s1",63.47506,53.924080000000004,
5054,[C:1]([C@@:2]([O:3][H:10])([C:4]#[C:5][H:11])[H:9])([H:6])([H:7])[H:8],[C:1]([C@@:2]1([H:9])[C:4]([O:3][H:10])=[C:5]1[H:11])([H:6])([H:7])[H:8],"InChI=1S/C4H6O/c1-3-4(2)5/h1,4-5H,2H3/t4-/m1/s1","InChI=1S/C4H6O/c1-3-2-4(3)5/h2-3,5H,1H3/t3-/m1/s1",67.70903,9.46542,
5055,[C:1]([C@@:2]([O:3][H:10])([C:4]#[C:5][H:11])[H:9])([H:6])([H:7])[H:8],[C:1]([C@@:2]([O:3][H:10])([C:5](=[C:4])[H:11])[H:9])([H:6])([H:7])[H:8],"InChI=1S/C4H6O/c1-3-4(2)5/h1,4-5H,2H3/t4-/m1/s1","InChI=1S/C4H6O/c1-3-4(2)5/h3-5H,2H3/t4-/m1/s1",55.91802,51.08663,Singlet_Carbene_Intra_Disproportionation
5056,[C:1]([C@@:2]([O:3][H:10])([C:4]#[C:5][H:11])[H:9])([H:6])([H:7])[H:8],[C:1]([C:2](=[C:4]=[C:5]([O:3][H:10])[H:11])[H:9])([H:6])([H:7])[H:8],"InChI=1S/C4H6O/c1-3-4(2)5/h1,4-5H,2H3/t4-/m1/s1","InChI=1S/C4H6O/c1-2-3-4-5/h2,4-5H,1H3",57.030030000000004,-6.39319,
5057,[C:1]([C@@:2]([O:3][H:10])([C:4]#[C:5][H:11])[H:9])([H:6])([H:7])[H:8],[C:1]([C:2]([O:3][H:10])=[C:4]=[C:5]([H:9])[H:11])([H:6])([H:7])[H:8],"InChI=1S/C4H6O/c1-3-4(2)5/h1,4-5H,2H3/t4-/m1/s1","InChI=1S/C4H6O/c1-3-4(2)5/h5H,1H2,2H3",68.22702,-11.99894,
5058,[C:1]([C@@:2]([O:3][H:10])([C:4]#[C:5][H:11])[H:9])([H:6])([H:7])[H:8],[C:1](/[C:2]([O:3][H:10])=[C:4](/[C:5][H:11])[H:9])([H:6])([H:7])[H:8],"InChI=1S/C4H6O/c1-3-4(2)5/h1,4-5H,2H3/t4-/m1/s1","InChI=1S/C4H6O/c1-3-4(2)5/h1,3,5H,2H3/b4-3-",57.29756,35.42882,
5059,[C:1]([C@@:2]([O:3][H:10])([C:4]#[C:5][H:11])[H:9])([H:6])([H:7])[H:8],[C:1]1([H:6])([H:7])[C@:2]([O:3][H:10])([H:9])[C:4]1=[C:5]([H:8])[H:11],"InChI=1S/C4H6O/c1-3-4(2)5/h1,4-5H,2H3/t4-/m1/s1","InChI=1S/C4H6O/c1-3-2-4(3)5/h4-5H,1-2H2/t4-/m1/s1",92.59133,2.11035,
5060,[C:1]([C@@:2]([O:3][H:10])([C:4]#[C:5][H:11])[H:9])([H:6])([H:7])[H:8],[C:1]([C@@:2]1([H:9])[O:3][C:5]([H:10])([H:11])[C:4]1)([H:6])([H:7])[H:8],"InChI=1S/C4H6O/c1-3-4(2)5/h1,4-5H,2H3/t4-/m1/s1","InChI=1S/C4H6O/c1-4-2-3-5-4/h4H,3H2,1H3/t4-/m1/s1",88.59995,69.5696,
5061,[N:1]#[C:2][C:3]([C@@:4]1([H:9])[C:5]([H:10])([H:11])[N:6]1[H:12])([H:7])[H:8],[N+:1](#[C-:2])[C:3]([C@@:4]1([H:9])[C:5]([H:10])([H:11])[N:6]1[H:12])([H:7])[H:8],"InChI=1S/C4H6N2/c5-2-1-4-3-6-4/h4,6H,1,3H2/t4-/m0/s1","InChI=1S/C4H6N2/c1-5-2-4-3-6-4/h4,6H,2-3H2/t4-/m0/s1",59.40606,26.33029,
5062,[N:1]#[C:2][C:3]([C@@:4]1([H:9])[C:5]([H:10])([H:11])[N:6]1[H:12])([H:7])[H:8],[N:1]#[C:2][C:3]([C:4]([N:6]([C:5][H:10])[H:12])([H:9])[H:11])([H:7])[H:8],"InChI=1S/C4H6N2/c5-2-1-4-3-6-4/h4,6H,1,3H2/t4-/m0/s1","InChI=1S/C4H6N2/c1-6-4-2-3-5/h1,6H,2,4H2",70.70846,33.504059999999996,
5063,[N:1]#[C:2][C:3]([C@@:4]1([H:9])[C:5]([H:10])([H:11])[N:6]1[H:12])([H:7])[H:8],[C:5](=[N:6][H:12])([H:10])[H:11].[N:1]#[C:2][C:4](=[C:3]([H:7])[H:8])[H:9],"InChI=1S/C4H6N2/c5-2-1-4-3-6-4/h4,6H,1,3H2/t4-/m0/s1","InChI=1S/C3H3N.CH3N/c1-2-3-4;1-2/h2H,1H2;2H,1H2",76.22025,6.95255,
5064,[N:1]#[C:2][C:3]([C@@:4]1([H:9])[C:5]([H:10])([H:11])[N:6]1[H:12])([H:7])[H:8],[N:1]#[C:2][C:3]([C+:4]([N:6]([C-:5]([H:10])[H:11])[H:12])[H:9])([H:7])[H:8],"InChI=1S/C4H6N2/c5-2-1-4-3-6-4/h4,6H,1,3H2/t4-/m0/s1","InChI=1S/C4H6N2/c1-6-4-2-3-5/h4,6H,1-2H2",39.54806,22.3515,
5065,[N:1]#[C:2][C:3]([C@@:4]1([H:9])[C:5]([H:10])([H:11])[N:6]1[H:12])([H:7])[H:8],[N:1]1=[C:2]([H:11])[C:3]([H:7])([H:8])[C@@:4]2([H:9])[C@@:5]1([H:10])[N:6]2[H:12],"InChI=1S/C4H6N2/c5-2-1-4-3-6-4/h4,6H,1,3H2/t4-/m0/s1","InChI=1S/C4H6N2/c1-2-5-4-3(1)6-4/h2-4,6H,1H2/t3-,4+/m0/s1",134.12326000000002,80.77911999999999,
5066,[N:1]#[C:2][C:3]([C@@:4]1([H:9])[C:5]([H:10])([H:11])[N:6]1[H:12])([H:7])[H:8],[N+:1](=[C-:2][C:3](/[C:4](=[N:6]/[H:12])[H:9])([H:7])[H:8])=[C:5]([H:10])[H:11],"InChI=1S/C4H6N2/c5-2-1-4-3-6-4/h4,6H,1,3H2/t4-/m0/s1","InChI=1S/C4H6N2/c1-6-4-2-3-5/h3,5H,1-2H2/b5-3+",62.27835,26.725759999999998,
5067,[N:1]#[C:2][C:3]([C@@:4]1([H:9])[C:5]([H:10])([H:11])[N:6]1[H:12])([H:7])[H:8],[N:1]#[C:2][C:3]([C:4]([N:6]=[C:5]([H:10])[H:11])([H:9])[H:12])([H:7])[H:8],"InChI=1S/C4H6N2/c5-2-1-4-3-6-4/h4,6H,1,3H2/t4-/m0/s1","InChI=1S/C4H6N2/c1-6-4-2-3-5/h1-2,4H2",65.44843,-10.61812,
5068,[N:1]#[C:2][C:3]([C@@:4]1([H:9])[C:5]([H:10])([H:11])[N:6]1[H:12])([H:7])[H:8],[N:1]#[C:2][C:3](/[C:4](=[N:6]\[C:5]([H:10])([H:11])[H:12])[H:9])([H:7])[H:8],"InChI=1S/C4H6N2/c5-2-1-4-3-6-4/h4,6H,1,3H2/t4-/m0/s1","InChI=1S/C4H6N2/c1-6-4-2-3-5/h4H,2H2,1H3/b6-4-",60.4191,-10.20271,
5069,[N:1]#[C:2][C:3]([C@@:4]1([H:9])[C:5]([H:10])([H:11])[N:6]1[H:12])([H:7])[H:8],[N:1](=[C:2]=[C:3]([H:7])[H:8])[C:5](/[C:4](=[N:6]/[H:12])[H:9])([H:10])[H:11],"InChI=1S/C4H6N2/c5-2-1-4-3-6-4/h4,6H,1,3H2/t4-/m0/s1","InChI=1S/C4H6N2/c1-2-6-4-3-5/h3,5H,1,4H2/b5-3+",59.9011,7.35497,
5070,[N:1]#[C:2][C:3]([C@@:4]1([H:9])[C:5]([H:10])([H:11])[N:6]1[H:12])([H:7])[H:8],[N:1]#[C:2][C:3]([C:4][N:6]([C:5]([H:9])([H:10])[H:11])[H:12])([H:7])[H:8],"InChI=1S/C4H6N2/c5-2-1-4-3-6-4/h4,6H,1,3H2/t4-/m0/s1","InChI=1S/C4H6N2/c1-6-4-2-3-5/h6H,2H2,1H3",67.46500999999999,28.748620000000003,
5071,[N:1]#[C:2][C:3]([C@@:4]1([H:9])[C:5]([H:10])([H:11])[N:6]1[H:12])([H:7])[H:8],[N:1]1([H:10])[C:2][C:3]([H:7])([H:8])[C@@:4]2([H:9])[C@:5]1([H:11])[N:6]2[H:12],"InChI=1S/C4H6N2/c5-2-1-4-3-6-4/h4,6H,1,3H2/t4-/m0/s1","InChI=1S/C4H6N2/c1-2-5-4-3(1)6-4/h3-6H,1H2/t3-,4-/m0/s1",83.60169,46.18923,
5072,[N:1]#[C:2][C:3]([C@@:4]1([H:9])[C:5]([H:10])([H:11])[N:6]1[H:12])([H:7])[H:8],[N:1]#[C:2][C:3]([C-:4]1[C:5]([H:10])([H:11])[N+:6]1([H:9])[H:12])([H:7])[H:8],"InChI=1S/C4H6N2/c5-2-1-4-3-6-4/h4,6H,1,3H2/t4-/m0/s1","InChI=1S/C4H6N2/c5-2-1-4-3-6-4/h1,3,6H2",70.47811999999999,52.710730000000005,
5073,[N:1]#[C:2][C:3]([C@@:4]1([H:9])[C:5]([H:10])([H:11])[N:6]1[H:12])([H:7])[H:8],[N:1]#[C:2][N:6]([C:5]([C:4](=[C:3]([H:7])[H:8])[H:9])([H:10])[H:11])[H:12],"InChI=1S/C4H6N2/c5-2-1-4-3-6-4/h4,6H,1,3H2/t4-/m0/s1","InChI=1S/C4H6N2/c1-2-3-6-4-5/h2,6H,1,3H2",59.78751,-4.5797,
5074,[N:1]#[C:2][C:3]([C@@:4]1([H:9])[C:5]([H:10])([H:11])[N:6]1[H:12])([H:7])[H:8],[N:1]#[C:2][C:3]([C@@:4]1([H:9])[C-:5]([H:11])[N+:6]1([H:10])[H:12])([H:7])[H:8],"InChI=1S/C4H6N2/c5-2-1-4-3-6-4/h4,6H,1,3H2/t4-/m0/s1","InChI=1S/C4H6N2/c5-2-1-4-3-6-4/h3-4H,1,6H2/t4-/m0/s1",62.645030000000006,54.9658,
5075,[N:1]#[C:2][C:3]([C@@:4]1([H:9])[C:5]([H:10])([H:11])[N:6]1[H:12])([H:7])[H:8],[N:1]#[C:2]/[C:3](=[C:4](\[C:5]([N:6]([H:7])[H:12])([H:10])[H:11])[H:9])[H:8],"InChI=1S/C4H6N2/c5-2-1-4-3-6-4/h4,6H,1,3H2/t4-/m0/s1","InChI=1S/C4H6N2/c5-3-1-2-4-6/h1-2H,3,5H2/b2-1-",48.6355,-14.23525,
5076,[N:1]#[C:2][C:3]([C@@:4]1([H:9])[C:5]([H:10])([H:11])[N:6]1[H:12])([H:7])[H:8],[N:1](=[C:2]=[C:3]([C@@:4]1([H:9])[C:5]([H:10])([H:11])[N:6]1[H:12])[H:8])[H:7],"InChI=1S/C4H6N2/c5-2-1-4-3-6-4/h4,6H,1,3H2/t4-/m0/s1","InChI=1S/C4H6N2/c5-2-1-4-3-6-4/h1,4-6H,3H2/t4-/m0/s1",81.20831,20.08849,
5077,[N:1]#[C:2][C:3]([C@@:4]1([H:9])[C:5]([H:10])([H:11])[N:6]1[H:12])([H:7])[H:8],[H:7][H:10].[N:1]#[C:2]/[C:3](=[C:4]([C:5](=[N:6]/[H:12])/[H:11])\[H:9])[H:8],"InChI=1S/C4H6N2/c5-2-1-4-3-6-4/h4,6H,1,3H2/t4-/m0/s1","InChI=1S/C4H4N2.H2/c5-3-1-2-4-6;/h1-3,5H;1H/b2-1+,5-3+;",83.67338000000001,7.143039999999999,
5078,[N:1]#[C:2][C:3]([C@@:4]1([H:9])[C:5]([H:10])([H:11])[N:6]1[H:12])([H:7])[H:8],[N-:1]=[C:2]([C:3]([C@@:4]1([H:9])[C+:5]([H:10])[N:6]1[H:12])([H:7])[H:8])[H:11],"InChI=1S/C4H6N2/c5-2-1-4-3-6-4/h4,6H,1,3H2/t4-/m0/s1","InChI=1S/C4H6N2/c5-2-1-4-3-6-4/h2-4,6H,1H2/t4-/m0/s1",104.58645,97.99133,
5079,[N:1]#[C:2][C:3]([C@@:4]1([H:9])[C:5]([H:10])([H:11])[N:6]1[H:12])([H:7])[H:8],[C:5](=[N:6][H:12])([H:10])[H:11].[N:1]1=[C:2]2[C:3]([H:7])([H:8])[C@:4]12[H:9],"InChI=1S/C4H6N2/c5-2-1-4-3-6-4/h4,6H,1,3H2/t4-/m0/s1","InChI=1S/C3H3N.CH3N/c1-2-3(1)4-2;1-2/h2H,1H2;2H,1H2/t2-;/m0./s1",88.4895,79.05426,
5080,[N:1]#[C:2][C:3]([C@@:4]1([H:9])[C:5]([H:10])([H:11])[N:6]1[H:12])([H:7])[H:8],[N:1](=[C:2]=[C:3]([H:7])[H:8])[C@@:4]1([H:9])[C:5]([H:10])([H:11])[N:6]1[H:12],"InChI=1S/C4H6N2/c5-2-1-4-3-6-4/h4,6H,1,3H2/t4-/m0/s1","InChI=1S/C4H6N2/c1-2-5-4-3-6-4/h4,6H,1,3H2/t4-/m1/s1",86.99303,22.870379999999997,
5081,[N:1]#[C:2][C:3]([C@@:4]1([H:9])[C:5]([H:10])([H:11])[N:6]1[H:12])([H:7])[H:8],[H:7][H:9].[N:1]#[C:2]/[C:3](=[C:4]1\[C:5]([H:10])([H:11])[N:6]1[H:12])[H:8],"InChI=1S/C4H6N2/c5-2-1-4-3-6-4/h4,6H,1,3H2/t4-/m0/s1","InChI=1S/C4H4N2.H2/c5-2-1-4-3-6-4;/h1,6H,3H2;1H/b4-1+;",103.28216,30.29105,
5082,[C:1]([C:2]#[N:3])([H:4])([H:5])[H:6],[C:1]([N+:3]#[C-:2])([H:4])([H:5])[H:6],InChI=1S/C2H3N/c1-2-3/h1H3,InChI=1S/C2H3N/c1-3-2/h1H3,62.934740000000005,28.1984,
5083,[C:1]([C:2]#[N:3])([H:4])([H:5])[H:6],[C:1](=[C:2]=[N:3][H:5])([H:4])[H:6],InChI=1S/C2H3N/c1-2-3/h1H3,"InChI=1S/C2H3N/c1-2-3/h3H,1H2",84.52920999999999,20.74129,
5084,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]1=[O:6])[H:7],[O:1]([C:5]([C:4]([C:3]([C:2][H:8])([H:9])[H:10])([H:11])[H:12])=[O:6])[H:7],"InChI=1S/C4H6O2/c5-3-1-2-4(3)6/h3,5H,1-2H2/t3-/m0/s1","InChI=1S/C4H6O2/c1-2-3-4(5)6/h1H,2-3H2,(H,5,6)",56.645230000000005,59.70919,
5085,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]1=[O:6])[H:7],[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:12])=[C:5]1[O:6][H:11])[H:7],"InChI=1S/C4H6O2/c5-3-1-2-4(3)6/h3,5H,1-2H2/t3-/m0/s1","InChI=1S/C4H6O2/c5-3-1-2-4(3)6/h1,4-6H,2H2/t4-/m0/s1",74.36694,12.265460000000001,ketoenol
5086,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]1=[O:6])[H:7],[O:1]([C+:2]=[C:5]([C:4]([C:3]([H:8])([H:9])[H:10])([H:11])[H:12])[O-:6])[H:7],"InChI=1S/C4H6O2/c5-3-1-2-4(3)6/h3,5H,1-2H2/t3-/m0/s1","InChI=1S/C4H6O2/c1-2-4(6)3-5/h2H2,1H3,(H-,5,6)",47.97428,38.0817,
5087,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]1=[O:6])[H:7],[O:1]([C:2][C:3]([C:4]([C:5](=[O:6])[H:8])([H:11])[H:12])([H:9])[H:10])[H:7],"InChI=1S/C4H6O2/c5-3-1-2-4(3)6/h3,5H,1-2H2/t3-/m0/s1","InChI=1S/C4H6O2/c5-3-1-2-4-6/h3,6H,1-2H2",52.48021,48.041909999999994,
5088,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]1=[O:6])[H:7],[C:3](=[C:4]([H:11])[H:12])([H:9])[H:10].[O:1]([C:2](=[C:5]=[O:6])[H:8])[H:7],"InChI=1S/C4H6O2/c5-3-1-2-4(3)6/h3,5H,1-2H2/t3-/m0/s1","InChI=1S/C2H2O2.C2H4/c3-1-2-4;1-2/h1,3H;1-2H2",34.82332,32.549240000000005,
5089,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]1=[O:6])[H:7],[O:1]([C:2]1=[C:5]([O:6][H:8])[C:4]([H:11])([H:12])[C:3]1([H:9])[H:10])[H:7],"InChI=1S/C4H6O2/c5-3-1-2-4(3)6/h3,5H,1-2H2/t3-/m0/s1","InChI=1S/C4H6O2/c5-3-1-2-4(3)6/h5-6H,1-2H2",67.36632,9.237589999999999,ketoenol
5090,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]1=[O:6])[H:7],[C:4](=[C:5]=[O:6])([H:11])[H:12].[O:1]([C:2](=[C:3]([H:9])[H:10])[H:8])[H:7],"InChI=1S/C4H6O2/c5-3-1-2-4(3)6/h3,5H,1-2H2/t3-/m0/s1","InChI=1S/C2H4O.C2H2O/c2*1-2-3/h2-3H,1H2;1H2",37.92412,13.38515,
5091,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]1=[O:6])[H:7],[O:1]([C@@:2]([C:3]([H:9])([H:10])[H:12])([C:5](=[C+:4][H:11])[O-:6])[H:8])[H:7],"InChI=1S/C4H6O2/c5-3-1-2-4(3)6/h3,5H,1-2H2/t3-/m0/s1","InChI=1S/C4H6O2/c1-3(5)4(2)6/h1,4,6H,2H3/t4-/m0/s1",67.55636,64.91286,
5092,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]1=[O:6])[H:7],[O:1]([C@@:2]1([H:8])[C:5]2([C:3]([H:9])([H:10])[C:4]2([H:11])[H:12])[O:6]1)[H:7],"InChI=1S/C4H6O2/c5-3-1-2-4(3)6/h3,5H,1-2H2/t3-/m0/s1","InChI=1S/C4H6O2/c5-3-4(6-3)1-2-4/h3,5H,1-2H2/t3-/m1/s1",54.2203,29.393959999999996,
5093,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]1=[O:6])[H:7],[O:1](/[C:2](=[C:3](\[C:5]([C:4]([H:10])([H:11])[H:12])=[O:6])[H:9])[H:8])[H:7],"InChI=1S/C4H6O2/c5-3-1-2-4(3)6/h3,5H,1-2H2/t3-/m0/s1","InChI=1S/C4H6O2/c1-4(6)2-3-5/h2-3,5H,1H3/b3-2-",76.85379,-27.2495,
5094,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]1=[O:6])[H:7],[H:7][H:8].[O:1]=[C:2]1[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]1=[O:6],"InChI=1S/C4H6O2/c5-3-1-2-4(3)6/h3,5H,1-2H2/t3-/m0/s1",InChI=1S/C4H4O2.H2/c5-3-1-2-4(3)6;/h1-2H2;1H,80.27651999999999,18.12162,
5095,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]1=[O:6])[H:7],[C:2]1([H:8])=[C:3]([H:9])[C:4]([H:11])([H:12])[C:5]1=[O:6].[O:1]([H:7])[H:10],"InChI=1S/C4H6O2/c5-3-1-2-4(3)6/h3,5H,1-2H2/t3-/m0/s1","InChI=1S/C4H4O.H2O/c5-4-2-1-3-4;/h1-2H,3H2;1H2",65.3671,14.32579,"1,3_Insertion_ROR"
5096,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]1=[O:6])[H:7],[O:1]1[C@@:2]([C:5](=[C:4]([H:11])[H:12])[O:6][H:7])([H:8])[C:3]1([H:9])[H:10],"InChI=1S/C4H6O2/c5-3-1-2-4(3)6/h3,5H,1-2H2/t3-/m0/s1","InChI=1S/C4H6O2/c1-3(5)4-2-6-4/h4-5H,1-2H2/t4-/m0/s1",58.18916,14.78687,
5097,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]1=[O:6])[H:7],[O:1](/[C:2](=[C:3](/[C:4]([C:5](=[O:6])[H:9])([H:11])[H:12])[H:10])[H:8])[H:7],"InChI=1S/C4H6O2/c5-3-1-2-4(3)6/h3,5H,1-2H2/t3-/m0/s1","InChI=1S/C4H6O2/c5-3-1-2-4-6/h1,3-5H,2H2/b3-1+",86.00858000000001,-1.28827,
5098,[C:1]12([H:7])[C:2]3([H:8])[C:3]1([H:9])[C:4]1([H:10])[C:5]2([H:11])[C:6]31[H:12],[C@@:1]12([H:7])[C@@:2]3([H:8])[C@:3]1([H:9])[C@@:4]([H:10])([C-:5]2)[C+:6]3.[H:11][H:12],InChI=1S/C6H6/c1-2-3(1)6-4(1)5(2)6/h1-6H,"InChI=1S/C6H4.H2/c1-3-2-5-4(1)6(3)5;/h3-6H;1H/t3-,4+,5-,6+;",107.55946999999999,84.9318,
5099,[C:1]12([H:7])[C:2]3([H:8])[C:3]1([H:9])[C:4]1([H:10])[C:5]2([H:11])[C:6]31[H:12],[c:1]1([H:7])[c:2]([H:8])[c:6]([H:12])[c:5]([H:11])[c:4]([H:10])[c:3]1[H:9],InChI=1S/C6H6/c1-2-3(1)6-4(1)5(2)6/h1-6H,InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H,39.428329999999995,-120.09846,
5100,[C:1]12([H:7])[C:2]3([H:8])[C:3]1([H:9])[C:4]1([H:10])[C:5]2([H:11])[C:6]31[H:12],[C@@:1]12([H:7])[C@@:2]3([H:8])[C@:3]1([H:9])[C:4][C@:5]2([H:11])[C:6]3([H:10])[H:12],InChI=1S/C6H6/c1-2-3(1)6-4(1)5(2)6/h1-6H,"InChI=1S/C6H6/c1-3-2-5-4(1)6(3)5/h3-6H,1H2/t3-,4+,5-,6+/m0/s1",49.93676,7.854,
5101,[C:1]12([H:7])[C:2]3([H:8])[C:3]1([H:9])[C:4]1([H:10])[C:5]2([H:11])[C:6]31[H:12],[C:1]1([C:5]2([H:11])[C:4]([H:10])=[C:6]2[H:12])([H:7])[C:2]([H:8])=[C:3]1[H:9],InChI=1S/C6H6/c1-2-3(1)6-4(1)5(2)6/h1-6H,InChI=1S/C6H6/c1-2-5(1)6-3-4-6/h1-6H,82.21432,1.7529599999999999,
5102,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[O:3][C@:4]1([H:10])[C:5]([H:11])=[C:6]2[H:12],[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[O:3][C@@:6]2([H:12])[C:5]([H:11])=[C:4]1[H:10],"InChI=1S/C5H6O/c1-2-5-3-4(1)6-5/h1-2,4-5H,3H2/t4-,5+","InChI=1S/C5H6O/c1-2-4-5(3-1)6-4/h1-2,4-5H,3H2/t4-,5+/m0/s1",25.33527,-24.84233,
5103,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[O:3][C@:4]1([H:10])[C:5]([H:11])=[C:6]2[H:12],[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[O:3][C@:4]1([H:10])[C:5][C:6]2([H:11])[H:12],"InChI=1S/C5H6O/c1-2-5-3-4(1)6-5/h1-2,4-5H,3H2/t4-,5+","InChI=1S/C5H6O/c1-2-5-3-4(1)6-5/h4-5H,1,3H2/t4-,5+/m0/s1",64.68714,59.487880000000004,Singlet_Carbene_Intra_Disproportionation
5104,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[O:3][C@:4]1([H:10])[C:5]([H:11])=[C:6]2[H:12],[C:1]1([H:7])([H:8])[C@:2]([O:3][H:10])([H:9])[C+:6]([H:12])[C:5]([H:11])=[C-:4]1,"InChI=1S/C5H6O/c1-2-5-3-4(1)6-5/h1-2,4-5H,3H2/t4-,5+","InChI=1S/C5H6O/c6-5-3-1-2-4-5/h1,3,5-6H,4H2/t5-/m0/s1",59.0048,24.51047,
5105,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[O:3][C@:4]1([H:10])[C:5]([H:11])=[C:6]2[H:12],[C:1]1([H:7])([H:8])[C@@:2]([C:6](=[C:5]([H:10])[H:11])[H:12])([H:9])[O+:3]=[C-:4]1,"InChI=1S/C5H6O/c1-2-5-3-4(1)6-5/h1-2,4-5H,3H2/t4-,5+","InChI=1S/C5H6O/c1-2-5-3-4-6-5/h2,5H,1,3H2/t5-/m0/s1",55.64836,29.1315,
5106,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[O:3][C@:4]1([H:10])[C:5]([H:11])=[C:6]2[H:12],[C:1]([C@@:2]1([H:9])[O+:3]=[C-:4][C:5]([H:11])=[C:6]1[H:12])([H:7])([H:8])[H:10],"InChI=1S/C5H6O/c1-2-5-3-4(1)6-5/h1-2,4-5H,3H2/t4-,5+","InChI=1S/C5H6O/c1-5-3-2-4-6-5/h2-3,5H,1H3/t5-/m1/s1",61.2095,1.23949,
5107,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[O:3][C@:4]1([H:10])[C:5]([H:11])=[C:6]2[H:12],[C@@:1]12([H:7])[C@@:4]3([H:10])[O:3][C:2]([H:8])([H:9])[C@:6]1([H:12])[C@@:5]23[H:11],"InChI=1S/C5H6O/c1-2-5-3-4(1)6-5/h1-2,4-5H,3H2/t4-,5+","InChI=1S/C5H6O/c1-2-3-4(2)5(3)6-1/h2-5H,1H2/t2-,3+,4-,5+",72.12891,-3.55165,
5108,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[O:3][C@:4]1([H:10])[C:5]([H:11])=[C:6]2[H:12],[C:1]([C@@:2]1([H:9])[O:3][C:4]([H:10])=[C:5]=[C:6]1[H:12])([H:7])([H:8])[H:11],"InChI=1S/C5H6O/c1-2-5-3-4(1)6-5/h1-2,4-5H,3H2/t4-,5+","InChI=1S/C5H6O/c1-5-3-2-4-6-5/h3-5H,1H3/t5-/m1/s1",88.19773,11.850589999999999,
5109,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[O:3][C@:4]1([H:10])[C:5]([H:11])=[C:6]2[H:12],[C@:1]12([H:7])[C@:2]([H:9])([O:3]1)[C:6]([H:12])=[C:5]=[C:4]2[H:10].[H:8][H:11],"InChI=1S/C5H6O/c1-2-5-3-4(1)6-5/h1-2,4-5H,3H2/t4-,5+","InChI=1S/C5H4O.H2/c1-2-4-5(3-1)6-4;/h2-5H;1H/t4-,5+;",121.24768,68.84929,
5110,[O:1]([C:2]([C:3]([N:4]([C:5](=[O:6])[H:13])[H:12])([H:10])[H:11])([H:8])[H:9])[H:7],[O:1]([O:6][C@@:5]1([H:13])[C:2]([H:8])([H:9])[C:3]([H:10])([H:11])[N:4]1[H:12])[H:7],"InChI=1S/C3H7NO2/c5-2-1-4-3-6/h3,5H,1-2H2,(H,4,6)","InChI=1S/C3H7NO2/c5-6-3-1-2-4-3/h3-5H,1-2H2/t3-/m0/s1",132.42883,85.4417,
5111,[O:1]([C:2]([C:3]([N:4]([C:5](=[O:6])[H:13])[H:12])([H:10])[H:11])([H:8])[H:9])[H:7],[C:3](=[N:4][H:12])([H:10])[H:11].[C:5](=[O:6])([H:7])[H:13].[O:1]=[C:2]([H:8])[H:9],"InChI=1S/C3H7NO2/c5-2-1-4-3-6/h3,5H,1-2H2,(H,4,6)","InChI=1S/CH3N.2CH2O/c3*1-2/h2H,1H2;2*1H2",68.0719,61.64042,
5112,[O:1]([C:2]([C:3]([N:4]([C:5](=[O:6])[H:13])[H:12])([H:10])[H:11])([H:8])[H:9])[H:7],[O:1]1[C:2]([H:8])([H:9])[C:3]([H:10])([H:11])[N:4]([H:12])[C@:5]1([O:6][H:7])[H:13],"InChI=1S/C3H7NO2/c5-2-1-4-3-6/h3,5H,1-2H2,(H,4,6)","InChI=1S/C3H7NO2/c5-3-4-1-2-6-3/h3-5H,1-2H2/t3-/m0/s1",38.50387,17.437260000000002,
5113,[O:1]([C:2]([C:3]([N:4]([C:5](=[O:6])[H:13])[H:12])([H:10])[H:11])([H:8])[H:9])[H:7],[N:4](=[C:5]=[O:6])[H:12].[O:1]([C:2]([C:3]([H:10])([H:11])[H:13])([H:8])[H:9])[H:7],"InChI=1S/C3H7NO2/c5-2-1-4-3-6/h3,5H,1-2H2,(H,4,6)","InChI=1S/C2H6O.CHNO/c1-2-3;2-1-3/h3H,2H2,1H3;2H",83.86219,4.4266,
5114,[O:1]([C:2]([C:3]([N:4]([C:5](=[O:6])[H:13])[H:12])([H:10])[H:11])([H:8])[H:9])[H:7],[H:8][H:12].[O:1](/[C:2](=[C:3](/[N:4]=[C:5](\[O:6][H:10])[H:13])[H:11])[H:9])[H:7],"InChI=1S/C3H7NO2/c5-2-1-4-3-6/h3,5H,1-2H2,(H,4,6)","InChI=1S/C3H5NO2.H2/c5-2-1-4-3-6;/h1-3,5H,(H,4,6);1H/b2-1+;",74.41252,35.537409999999994,
5115,[O:1]([C:2]([C:3]([N:4]([C:5](=[O:6])[H:13])[H:12])([H:10])[H:11])([H:8])[H:9])[H:7],[O:1]([C:2]([O+:6]=[C:5]([N:4]([C-:3]([H:10])[H:11])[H:12])[H:13])([H:8])[H:9])[H:7],"InChI=1S/C3H7NO2/c5-2-1-4-3-6/h3,5H,1-2H2,(H,4,6)","InChI=1S/C3H7NO2/c1-4-2-6-3-5/h2,4-5H,1,3H2",76.65693,65.74967,
5116,[O:1]([C:2]([C:3]([N:4]([C:5](=[O:6])[H:13])[H:12])([H:10])[H:11])([H:8])[H:9])[H:7],[H:12][H:13].[O:1]([C:2]([C:3]([N:4]=[C:5]=[O:6])([H:10])[H:11])([H:8])[H:9])[H:7],"InChI=1S/C3H7NO2/c5-2-1-4-3-6/h3,5H,1-2H2,(H,4,6)","InChI=1S/C3H5NO2.H2/c5-2-1-4-3-6;/h5H,1-2H2;1H",73.42657,19.466279999999998,
5117,[O:1]([C:2]([C:3]([N:4]([C:5](=[O:6])[H:13])[H:12])([H:10])[H:11])([H:8])[H:9])[H:7],[O:1]=[C:2]([C:3]([N:4]([C:5]([O:6][H:7])([H:9])[H:13])[H:12])([H:10])[H:11])[H:8],"InChI=1S/C3H7NO2/c5-2-1-4-3-6/h3,5H,1-2H2,(H,4,6)","InChI=1S/C3H7NO2/c5-2-1-4-3-6/h2,4,6H,1,3H2",52.32833,24.59701,
5118,[O:1]([C:2]([C:3]([N:4]([C:5](=[O:6])[H:13])[H:12])([H:10])[H:11])([H:8])[H:9])[H:7],[N:4](=[C:5](/[O:6][H:7])[H:13])\[H:12].[O:1]=[C:2]([C:3]([H:8])([H:10])[H:11])[H:9],"InChI=1S/C3H7NO2/c5-2-1-4-3-6/h3,5H,1-2H2,(H,4,6)","InChI=1S/C2H4O.CH3NO/c1-2-3;2-1-3/h2H,1H3;1H,(H2,2,3)",53.88928000000001,15.55916,
5119,[O:1]([C:2]([C:3]([N:4]([C:5](=[O:6])[H:13])[H:12])([H:10])[H:11])([H:8])[H:9])[H:7],[O:1]([C:2]([C:3]([O:6]/[C:5](=[N:4]/[H:12])[H:13])([H:10])[H:11])([H:8])[H:9])[H:7],"InChI=1S/C3H7NO2/c5-2-1-4-3-6/h3,5H,1-2H2,(H,4,6)","InChI=1S/C3H7NO2/c4-3-6-2-1-5/h3-5H,1-2H2/b4-3+",58.79505,17.891820000000003,ketoenol
5120,[O:1]([C:2]([C:3]([N:4]([C:5](=[O:6])[H:13])[H:12])([H:10])[H:11])([H:8])[H:9])[H:7],[C:3](/[N:4]=[C:5](\[O:6][H:7])[H:13])([H:10])([H:11])[H:12].[O:1]=[C:2]([H:8])[H:9],"InChI=1S/C3H7NO2/c5-2-1-4-3-6/h3,5H,1-2H2,(H,4,6)","InChI=1S/C2H5NO.CH2O/c1-3-2-4;1-2/h2H,1H3,(H,3,4);1H2",93.0379,33.22275,
5121,[O:1]([C:2]([C:3]([N:4]([C:5](=[O:6])[H:13])[H:12])([H:10])[H:11])([H:8])[H:9])[H:7],[C:5](=[O:6])([H:11])[H:13].[O:1]([C:2](/[C:3](=[N:4]/[H:12])[H:10])([H:8])[H:9])[H:7],"InChI=1S/C3H7NO2/c5-2-1-4-3-6/h3,5H,1-2H2,(H,4,6)","InChI=1S/C2H5NO.CH2O/c3-1-2-4;1-2/h1,3-4H,2H2;1H2/b3-1+;",79.22709,42.00666,
5122,[O:1]([C:2]([C:3]([N:4]([C:5](=[O:6])[H:13])[H:12])([H:10])[H:11])([H:8])[H:9])[H:7],[C-:5]#[O+:6].[O:1]([C:2]([C:3]([N:4]([H:12])[H:13])([H:10])[H:11])([H:8])[H:9])[H:7],"InChI=1S/C3H7NO2/c5-2-1-4-3-6/h3,5H,1-2H2,(H,4,6)","InChI=1S/C2H7NO.CO/c3-1-2-4;1-2/h4H,1-3H2;",77.29968000000001,16.08041,"1,2_Insertion_CO"
5123,[O:1]([C:2]([C:3]([N:4]([C:5](=[O:6])[H:13])[H:12])([H:10])[H:11])([H:8])[H:9])[H:7],[O:1]([C:2]([C:3]([N:4]([C:5][O:6][H:13])[H:12])([H:10])[H:11])([H:8])[H:9])[H:7],"InChI=1S/C3H7NO2/c5-2-1-4-3-6/h3,5H,1-2H2,(H,4,6)","InChI=1S/C3H7NO2/c5-2-1-4-3-6/h4-6H,1-2H2",74.06351,45.67957,
5124,[O:1]([C:2]([C:3]([N:4]([C:5](=[O:6])[H:13])[H:12])([H:10])[H:11])([H:8])[H:9])[H:7],[N:4](=[C:5](/[O:6][H:7])[H:13])\[H:12].[O:1]1[C:2]([H:8])([H:9])[C:3]1([H:10])[H:11],"InChI=1S/C3H7NO2/c5-2-1-4-3-6/h3,5H,1-2H2,(H,4,6)","InChI=1S/C2H4O.CH3NO/c1-2-3-1;2-1-3/h1-2H2;1H,(H2,2,3)",68.81364,43.057,
5125,[O:1]([C:2]([C:3]([N:4]([C:5](=[O:6])[H:13])[H:12])([H:10])[H:11])([H:8])[H:9])[H:7],[H:11][H:12].[O:1]([C:2](/[C:3](=[N:4]\[C:5](=[O:6])[H:13])[H:10])([H:8])[H:9])[H:7],"InChI=1S/C3H7NO2/c5-2-1-4-3-6/h3,5H,1-2H2,(H,4,6)","InChI=1S/C3H5NO2.H2/c5-2-1-4-3-6;/h1,3,5H,2H2;1H/b4-1-;",94.77054,36.4497,
5126,[O:1]([C:2]([C:3]([N:4]([C:5](=[O:6])[H:13])[H:12])([H:10])[H:11])([H:8])[H:9])[H:7],[H:7][H:11].[O:1]=[C:2]([C:3]([N:4]([C:5](=[O:6])[H:13])[H:12])([H:9])[H:10])[H:8],"InChI=1S/C3H7NO2/c5-2-1-4-3-6/h3,5H,1-2H2,(H,4,6)","InChI=1S/C3H5NO2.H2/c5-2-1-4-3-6;/h2-3H,1H2,(H,4,6);1H",70.49948,23.65586,
5127,[O:1]([C:2]([C:3]([N:4]([C:5](=[O:6])[H:13])[H:12])([H:10])[H:11])([H:8])[H:9])[H:7],[H:7][H:13].[O:1]1[C:2]([H:8])([H:9])[C:3]([H:10])([H:11])[N:4]([H:12])[C:5]1=[O:6],"InChI=1S/C3H7NO2/c5-2-1-4-3-6/h3,5H,1-2H2,(H,4,6)","InChI=1S/C3H5NO2.H2/c5-3-4-1-2-6-3;/h1-2H2,(H,4,5);1H",70.91443000000001,10.87265,
5128,[O:1]([C:2]([C:3]([N:4]([C:5](=[O:6])[H:13])[H:12])([H:10])[H:11])([H:8])[H:9])[H:7],[C:3](=[N:4][H:12])([H:10])[H:11].[C:5](=[O:6])([H:7])[H:13].[O:1]=[C:2]([H:8])[H:9],"InChI=1S/C3H7NO2/c5-2-1-4-3-6/h3,5H,1-2H2,(H,4,6)","InChI=1S/CH3N.2CH2O/c3*1-2/h2H,1H2;2*1H2",68.07609000000001,61.63077,
5129,[O:1]([C:2]([C:3]([N:4]([C:5](=[O:6])[H:13])[H:12])([H:10])[H:11])([H:8])[H:9])[H:7],[C:2](=[C:3]([N:4]([C+:5]([O-:6])[H:13])[H:12])[H:10])([H:8])[H:9].[O:1]([H:7])[H:11],"InChI=1S/C3H7NO2/c5-2-1-4-3-6/h3,5H,1-2H2,(H,4,6)","InChI=1S/C3H5NO.H2O/c1-2-4-3-5;/h2-4H,1H2;1H2",64.88521,15.289779999999999,"1,3_Insertion_ROR"
5130,[C:1]([C:2](=[O:3])[N:4]([H:8])[H:9])([H:5])([H:6])[H:7],[C:1](=[C:2]([O:3][H:6])[N:4]([H:8])[H:9])([H:5])[H:7],"InChI=1S/C2H5NO/c1-2(3)4/h1H3,(H2,3,4)","InChI=1S/C2H5NO/c1-2(3)4/h4H,1,3H2",62.10334,21.80568,ketoenol
5131,[C:1]([C:2](=[O:3])[N:4]([H:8])[H:9])([H:5])([H:6])[H:7],[C:1]([N:4]=[C:2]=[O:3])([H:5])([H:6])[H:7].[H:8][H:9],"InChI=1S/C2H5NO/c1-2(3)4/h1H3,(H2,3,4)",InChI=1S/C2H3NO.H2/c1-3-2-4;/h1H3;1H,91.31666,27.671259999999997,
5132,[C:1]([C:2](=[O:3])[N:4]([H:8])[H:9])([H:5])([H:6])[H:7],[C:1](/[C:2]([O:3][H:8])=[N:4]\[H:9])([H:5])([H:6])[H:7],"InChI=1S/C2H5NO/c1-2(3)4/h1H3,(H2,3,4)","InChI=1S/C2H5NO/c1-2(3)4/h1H3,(H2,3,4)",39.79781,8.66537,ketoenol
5133,[C:1]([C:2](=[O:3])[N:4]([H:8])[H:9])([H:5])([H:6])[H:7],[C:1]([H:5])([H:6])([H:7])[H:9].[C:2](=[O:3])=[N:4][H:8],"InChI=1S/C2H5NO/c1-2(3)4/h1H3,(H2,3,4)",InChI=1S/CHNO.CH4/c2-1-3;/h2H;1H4,71.60462,6.98835,
5134,[C:1]([C:2](=[O:3])[N:4]([H:8])[H:9])([H:5])([H:6])[H:7],[C:1]([O+:3]=[C-:2][N:4]([H:8])[H:9])([H:5])([H:6])[H:7],"InChI=1S/C2H5NO/c1-2(3)4/h1H3,(H2,3,4)","InChI=1S/C2H5NO/c1-4-2-3/h3H2,1H3",99.77206,57.03179,
5135,[C:1]([C:2](=[O:3])[N:4]([H:8])[H:9])([H:5])([H:6])[H:7],[C:1]1([H:5])([H:7])/[C:2](=[N:4]/[H:8])[O:3]1.[H:6][H:9],"InChI=1S/C2H5NO/c1-2(3)4/h1H3,(H2,3,4)","InChI=1S/C2H3NO.H2/c3-2-1-4-2;/h3H,1H2;1H/b3-2-;",93.38398000000001,67.52403000000001,
5136,[C:1]([C:2]([N:3]([C:4](=[O:5])[H:12])[H:11])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([C:2]([N:3]=[C:4]=[O:5])([H:9])[H:10])([H:6])([H:7])[H:8].[H:11][H:12],"InChI=1S/C3H7NO/c1-2-4-3-5/h3H,2H2,1H3,(H,4,5)","InChI=1S/C3H5NO.H2/c1-2-4-3-5;/h2H2,1H3;1H",70.59233,16.2054,
5137,[C:1]([C:2]([N:3]([C:4](=[O:5])[H:12])[H:11])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]1([H:6])([H:7])[C:2]([H:9])([H:10])[N:3]1[H:11].[C:4](=[O:5])([H:8])[H:12],"InChI=1S/C3H7NO/c1-2-4-3-5/h3H,2H2,1H3,(H,4,5)","InChI=1S/C2H5N.CH2O/c1-2-3-1;1-2/h3H,1-2H2;1H2",102.14823,58.51095,
5138,[C:1]([C:2]([N:3]([C:4](=[O:5])[H:12])[H:11])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([C:2]([O:5]/[C:4](=[N:3]/[H:11])[H:12])([H:9])[H:10])([H:6])([H:7])[H:8],"InChI=1S/C3H7NO/c1-2-4-3-5/h3H,2H2,1H3,(H,4,5)","InChI=1S/C3H7NO/c1-2-5-3-4/h3-4H,2H2,1H3/b4-3+",60.028380000000006,14.401929999999998,ketoenol
5139,[C:1]([C:2]([N:3]([C:4](=[O:5])[H:12])[H:11])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([O+:5]=[C:4]([N:3]([C-:2]([H:9])[H:10])[H:11])[H:12])([H:6])([H:7])[H:8],"InChI=1S/C3H7NO/c1-2-4-3-5/h3H,2H2,1H3,(H,4,5)","InChI=1S/C3H7NO/c1-4-3-5-2/h3-4H,1H2,2H3",84.79505,68.93774,
5140,[C:1]([C:2]([N:3]([C:4](=[O:5])[H:12])[H:11])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]1([H:6])([H:7])[C:2]([H:9])([H:10])[N:3]([H:11])[C@@:4]1([O:5][H:8])[H:12],"InChI=1S/C3H7NO/c1-2-4-3-5/h3H,2H2,1H3,(H,4,5)","InChI=1S/C3H7NO/c5-3-1-2-4-3/h3-5H,1-2H2/t3-/m1/s1",91.64175,29.25275,
5141,[C:1]([C:2]([N:3]([C:4](=[O:5])[H:12])[H:11])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([C:2](/[N:3]=[C:4](/[O:5][H:11])[H:12])([H:9])[H:10])([H:6])([H:7])[H:8],"InChI=1S/C3H7NO/c1-2-4-3-5/h3H,2H2,1H3,(H,4,5)","InChI=1S/C3H7NO/c1-2-4-3-5/h3H,2H2,1H3,(H,4,5)",41.16268,9.16357,ketoenol
5142,[C:1]([C:2]([N:3]([C:4](=[O:5])[H:12])[H:11])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([C:4](=[O:5])[H:12])([H:6])([H:7])[H:8].[C:2](=[N:3][H:11])([H:9])[H:10],"InChI=1S/C3H7NO/c1-2-4-3-5/h3H,2H2,1H3,(H,4,5)","InChI=1S/C2H4O.CH3N/c1-2-3;1-2/h2H,1H3;2H,1H2",91.42642,33.53838,
5143,[C:1]([C:2]([N:3]([C:4](=[O:5])[H:12])[H:11])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1](=[C:2]([H:9])[H:10])([H:6])[H:7].[N:3](=[C:4](/[O:5][H:8])[H:12])\[H:11],"InChI=1S/C3H7NO/c1-2-4-3-5/h3H,2H2,1H3,(H,4,5)","InChI=1S/C2H4.CH3NO/c1-2;2-1-3/h1-2H2;1H,(H2,2,3)",52.77404,27.95403,Retroene
5144,[C:1]([C:2]([N:3]([C:4](=[O:5])[H:12])[H:11])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([C:2]([N:3]([C:4][O:5][H:12])[H:11])([H:9])[H:10])([H:6])([H:7])[H:8],"InChI=1S/C3H7NO/c1-2-4-3-5/h3H,2H2,1H3,(H,4,5)","InChI=1S/C3H7NO/c1-2-4-3-5/h4-5H,2H2,1H3",73.03496,43.73633,
5145,[C:1]([C:2]([N:3]([C:4](=[O:5])[H:12])[H:11])([H:9])[H:10])([H:6])([H:7])[H:8],[C-:4]#[O+:5].[C:1](/[C:2](=[N:3]/[H:11])[H:9])([H:6])([H:7])[H:8].[H:10][H:12],"InChI=1S/C3H7NO/c1-2-4-3-5/h3H,2H2,1H3,(H,4,5)","InChI=1S/C2H5N.CO.H2/c1-2-3;1-2;/h2-3H,1H3;;1H/b3-2+;;",68.18312,36.33952,
5146,[C:1]([C:2]([N:3]([C:4](=[O:5])[H:12])[H:11])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([C-:2]([N+:3]([C:4](=[O:5])[H:12])([H:10])[H:11])[H:9])([H:6])([H:7])[H:8],"InChI=1S/C3H7NO/c1-2-4-3-5/h3H,2H2,1H3,(H,4,5)","InChI=1S/C3H7NO/c1-2-4-3-5/h2-3H,4H2,1H3",95.90989,89.69107,
5147,[C:1]([C:2]([N:3]([C:4](=[O:5])[H:12])[H:11])([H:9])[H:10])([H:6])([H:7])[H:8],[C-:2](=[N+:3]([C:4](=[O:5])[H:12])[H:11])[H:9].[C:1]([H:6])([H:7])([H:8])[H:10],"InChI=1S/C3H7NO/c1-2-4-3-5/h3H,2H2,1H3,(H,4,5)",InChI=1S/C2H3NO.CH4/c1-3-2-4;/h1-3H;1H4,75.90491,71.23702,
5148,[C:1]([C:2]([C@@:3]([C:4]([H:13])([H:14])[H:15])([C:5]#[C:6][H:16])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C@:2]1([H:10])[C@:3]([C:4]([H:13])([H:14])[H:15])([H:12])[C:5][C:6]1([H:11])[H:16])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-4-6(3)5-2/h1,6H,5H2,2-3H3/t6-/m0/s1","InChI=1S/C6H10/c1-5-3-4-6(5)2/h5-6H,3H2,1-2H3/t5-,6-/m0/s1",87.82396999999999,67.98376999999999,
5149,[C:1]([C:2]([C@@:3]([C:4]([H:13])([H:14])[H:15])([C:5]#[C:6][H:16])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C-:1]([C:2]([C:3](=[C:5]=[C+:6][H:16])[H:12])([H:10])[H:11])([H:7])[H:9].[C:4]([H:8])([H:13])([H:14])[H:15],"InChI=1S/C6H10/c1-4-6(3)5-2/h1,6H,5H2,2-3H3/t6-/m0/s1","InChI=1S/C5H6.CH4/c1-3-5-4-2;/h1,5H,2,4H2;1H4",83.87246999999999,83.23945,
5150,[C:1]([C:2]([C@@:3]([C:4]([H:13])([H:14])[H:15])([C:5]#[C:6][H:16])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C@@:3]([C:4]([H:13])([H:14])[H:15])([C:6](=[C:5])[H:16])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-4-6(3)5-2/h1,6H,5H2,2-3H3/t6-/m0/s1","InChI=1S/C6H10/c1-4-6(3)5-2/h5-6H,4H2,1,3H3/t6-/m1/s1",61.69653,51.31004,Singlet_Carbene_Intra_Disproportionation
5151,[C:1]([C:2]([C@@:3]([C:4]([H:13])([H:14])[H:15])([C:5]#[C:6][H:16])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C@@:3]1([H:12])[C:4]([H:14])([H:15])[C:6]([H:13])([H:16])[C:5]1)([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-4-6(3)5-2/h1,6H,5H2,2-3H3/t6-/m0/s1","InChI=1S/C6H10/c1-2-6-4-3-5-6/h6H,2-4H2,1H3/t6-/m0/s1",92.53514,69.51607,
5152,[C:1]([C:2]([C@@:3]([C:4]([H:13])([H:14])[H:15])([C:5]#[C:6][H:16])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([C:4]([H:13])([H:14])[H:15])=[C:5]=[C:6]([H:12])[H:16])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-4-6(3)5-2/h1,6H,5H2,2-3H3/t6-/m0/s1","InChI=1S/C6H10/c1-4-6(3)5-2/h1,5H2,2-3H3",67.78743,-8.151010000000001,
5153,[C:1]([C:2]([C@@:3]([C:4]([H:13])([H:14])[H:15])([C:5]#[C:6][H:16])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](/[C:3](=[C:5](/[C:4]([H:13])([H:14])[H:15])[C:6][H:16])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-4-6(3)5-2/h1,6H,5H2,2-3H3/t6-/m0/s1","InChI=1S/C6H10/c1-4-5-6(2)3/h2,5H,4H2,1,3H3/b6-5+",77.1924,55.98874,
5154,[C:1]([C:2]([C@@:3]([C:4]([H:13])([H:14])[H:15])([C:5]#[C:6][H:16])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]([H:10])[H:11])([H:7])[H:9].[C:3]([C:4]([H:13])([H:14])[H:15])(=[C:5]=[C:6]([H:8])[H:16])[H:12],"InChI=1S/C6H10/c1-4-6(3)5-2/h1,6H,5H2,2-3H3/t6-/m0/s1","InChI=1S/C4H6.C2H4/c1-3-4-2;1-2/h4H,1H2,2H3;1-2H2",41.805890000000005,17.67304,Retroene
5155,[C:1]([C:2]([C@@:3]([C:4]([H:13])([H:14])[H:15])([C:5]#[C:6][H:16])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](/[C:5](=[C:3](/[C:4]([H:13])([H:14])[H:15])[H:12])[C:6][H:16])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-4-6(3)5-2/h1,6H,5H2,2-3H3/t6-/m0/s1","InChI=1S/C6H10/c1-4-6(3)5-2/h3-4H,5H2,1-2H3/b6-4+",74.79353,55.79385,
5156,[C:1]([C:2]([C@@:3]([C:4]([H:13])([H:14])[H:15])([C:5]#[C:6][H:16])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C-:3]=[C:5]=[C+:6][H:16])([H:10])[H:11])([H:7])([H:8])[H:9].[C:4]([H:12])([H:13])([H:14])[H:15],"InChI=1S/C6H10/c1-4-6(3)5-2/h1,6H,5H2,2-3H3/t6-/m0/s1","InChI=1S/C5H6.CH4/c1-3-5-4-2;/h1H,4H2,2H3;1H4",75.19678,74.64111,
5157,[C:1]([C:2]([C@@:3]([C:4]([H:13])([H:14])[H:15])([C:5]#[C:6][H:16])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C-:3]([C:4]([H:13])([H:14])[H:15])=[C:5]=[C+:6][H:16].[C:1]([C:2]([H:10])([H:11])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-4-6(3)5-2/h1,6H,5H2,2-3H3/t6-/m0/s1","InChI=1S/C4H4.C2H6/c1-3-4-2;1-2/h1H,2H3;1-2H3",72.67969000000001,77.82573000000001,
5158,[C:1]([O:2][C:3]1([C:4]([H:10])([H:11])[H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([O:2][C:3]([C:4]([H:10])([H:11])[H:12])([C:5][H:14])[C:6]([H:13])([H:15])[H:16])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-5(6-2)3-4-5/h3-4H2,1-2H3","InChI=1S/C5H10O/c1-5(2,3)6-4/h1H,2-4H3",67.88642,73.69444,
5159,[C:1]([O:2][C:3]1([C:4]([H:10])([H:11])[H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([O:2][H:12])([H:7])([H:8])[H:9].[C:3]1(=[C:4]([H:10])[H:11])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16],"InChI=1S/C5H10O/c1-5(6-2)3-4-5/h3-4H2,1-2H3","InChI=1S/C4H6.CH4O/c1-4-2-3-4;1-2/h1-3H2;2H,1H3",63.938109999999995,24.18739,"1,3_Insertion_ROR"
5160,[C:1]([O:2][C:3]1([C:4]([H:10])([H:11])[H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([O:2][H:14])([H:7])([H:8])[H:9].[C:3]1([C:4]([H:10])([H:11])[H:12])=[C:5]([H:13])[C:6]1([H:15])[H:16],"InChI=1S/C5H10O/c1-5(6-2)3-4-5/h3-4H2,1-2H3","InChI=1S/C4H6.CH4O/c1-4-2-3-4;1-2/h2H,3H2,1H3;2H,1H3",70.18259,35.65615,
5161,[C:1]([O:2][C:3]1([C:4]([H:10])([H:11])[H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([O:2][C:3]1=[C:5]([H:14])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9].[C:4]([H:10])([H:11])([H:12])[H:13],"InChI=1S/C5H10O/c1-5(6-2)3-4-5/h3-4H2,1-2H3","InChI=1S/C4H6O.CH4/c1-5-4-2-3-4;/h2H,3H2,1H3;1H4",111.91333,37.74585,
5162,[C:1]([O:2][C:3]1([C:4]([H:10])([H:11])[H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C-:1]([O+:2]=[C:3]([C:4]([H:10])([H:11])[H:12])[C:6]([C:5]([H:7])([H:13])[H:14])([H:15])[H:16])([H:8])[H:9],"InChI=1S/C5H10O/c1-5(6-2)3-4-5/h3-4H2,1-2H3","InChI=1S/C5H10O/c1-4-5(2)6-3/h3-4H2,1-2H3",64.46859,30.814220000000002,
5163,[C:1]([O:2][C:3]1([C:4]([H:10])([H:11])[H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([C:3](=[O:2])[C:4]([H:10])([H:11])[H:12])([H:7])([H:8])[H:9].[C:5](=[C:6]([H:15])[H:16])([H:13])[H:14],"InChI=1S/C5H10O/c1-5(6-2)3-4-5/h3-4H2,1-2H3",InChI=1S/C3H6O.C2H4/c1-3(2)4;1-2/h1-2H3;1-2H2,86.91716,-10.361289999999999,
5164,[C:1]([O:2][C:3]1([C:4]([H:10])([H:11])[H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:14].[O:2]=[C:3]([C:4]([H:10])([H:11])[H:12])[C:5](=[C:6]([H:15])[H:16])[H:13],"InChI=1S/C5H10O/c1-5(6-2)3-4-5/h3-4H2,1-2H3","InChI=1S/C4H6O.CH4/c1-3-4(2)5;/h3H,1H2,2H3;1H4",62.52564,-17.229020000000002,
5165,[C:1]([O:2][C:3]1([C:4]([H:10])([H:11])[H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1](=[O+:2][C@:3]([C:4]([H:10])([H:11])[H:12])([C:5]([C-:6]([H:15])[H:16])([H:13])[H:14])[H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-5(6-2)3-4-5/h3-4H2,1-2H3","InChI=1S/C5H10O/c1-4-5(2)6-3/h5H,1,3-4H2,2H3/t5-/m1/s1",83.28345,68.4658,
5166,[C:1]([O:2][C:3]1([C:4]([H:10])([H:11])[H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([O:2][C:3](=[C:4]([H:10])[H:11])[H:12])([H:7])([H:8])[H:9].[C:5](=[C:6]([H:15])[H:16])([H:13])[H:14],"InChI=1S/C5H10O/c1-5(6-2)3-4-5/h3-4H2,1-2H3","InChI=1S/C3H6O.C2H4/c1-3-4-2;1-2/h3H,1H2,2H3;1-2H2",90.9575,16.99635,
5167,[C:1]([O:2][C:3]1([C:4]([H:10])([H:11])[H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([O+:2]=[C-:3][C:5]([C:6]([C:4]([H:10])([H:11])[H:12])([H:15])[H:16])([H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-5(6-2)3-4-5/h3-4H2,1-2H3","InChI=1S/C5H10O/c1-3-4-5-6-2/h3-4H2,1-2H3",82.53193,37.42852,
5168,[C:1]([O:2][C:3]1([C:4]([H:10])([H:11])[H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([O:2]/[C:3]([C:4]([H:10])([H:11])[H:12])=[C:5](\[C:6]([H:14])([H:15])[H:16])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-5(6-2)3-4-5/h3-4H2,1-2H3","InChI=1S/C5H10O/c1-4-5(2)6-3/h4H,1-3H3/b5-4-",66.42533,-9.230889999999999,
5169,[o:1]1[c:2]([H:6])[c:3]([H:7])[c:4]([H:8])[n:5]1,[O:1]([C+:2]=[C:3]([C:4](=[N-:5])[H:8])[H:7])[H:6],InChI=1S/C3H3NO/c1-2-4-5-3-1/h1-3H,"InChI=1S/C3H3NO/c4-2-1-3-5/h1-2,5H",85.94973,58.25779,
5170,[o:1]1[c:2]([H:6])[c:3]([H:7])[c:4]([H:8])[n:5]1,[O:1]=[C:2]([C:3]([C:4]#[N:5])([H:7])[H:8])[H:6],InChI=1S/C3H3NO/c1-2-4-5-3-1/h1-3H,"InChI=1S/C3H3NO/c4-2-1-3-5/h3H,1H2",51.63118,-17.98181,
5171,[o:1]1[c:2]([H:6])[c:3]([H:7])[c:4]([H:8])[n:5]1,[O:1]=[C:2]([C:3](=[C:4]=[N:5][H:8])[H:7])[H:6],InChI=1S/C3H3NO/c1-2-4-5-3-1/h1-3H,"InChI=1S/C3H3NO/c4-2-1-3-5/h1,3-4H",49.467659999999995,-9.52232,
5172,[o:1]1[c:2]([H:6])[c:3]([H:7])[c:4]([H:8])[n:5]1,[C:2](#[C:3][H:7])[H:6].[O:1][C:4](=[N:5])[H:8],InChI=1S/C3H3NO/c1-2-4-5-3-1/h1-3H,InChI=1S/C2H2.CHNO/c1-2;2-1-3/h1-2H;1H,136.19722,94.23908,
5173,[o:1]1[c:2]([H:6])[c:3]([H:7])[c:4]([H:8])[n:5]1,[O+:1]#[C:2][C:3]([C:4](=[N-:5])[H:8])([H:6])[H:7],InChI=1S/C3H3NO/c1-2-4-5-3-1/h1-3H,"InChI=1S/C3H3NO/c4-2-1-3-5/h2H,1H2",66.76114,21.566010000000002,
5174,[o:1]1[c:2]([H:6])[c:3]([H:7])[c:4]([H:8])[n:5]1,[C:2](#[C:3][H:7])[H:6].[O-:1][N+:5]#[C:4][H:8],InChI=1S/C3H3NO/c1-2-4-5-3-1/h1-3H,InChI=1S/C2H2.CHNO/c1-2;1-2-3/h1-2H;1H,80.76689,75.60543,
5175,[o:1]1[c:2]([H:6])[c:3]([H:7])[c:4]([H:8])[n:5]1,[O:1]1[C:2]([H:6])=[C:3]=[C:4]([H:8])[N:5]1[H:7],InChI=1S/C3H3NO/c1-2-4-5-3-1/h1-3H,InChI=1S/C3H3NO/c1-2-4-5-3-1/h2-4H,101.27245,60.09103,
5176,[o:1]1[c:2]([H:6])[c:3]([H:7])[c:4]([H:8])[n:5]1,[O:1]([C:2](=[C:3]([H:7])[H:8])[H:6])[N+:5]#[C-:4],InChI=1S/C3H3NO/c1-2-4-5-3-1/h1-3H,"InChI=1S/C3H3NO/c1-3-5-4-2/h3H,1H2",89.98047,64.23715,
5177,[o:1]1[c:2]([H:6])[c:3]([H:7])[c:4]([H:8])[n:5]1,[O:1]=[N:5][C:4](=[C:3]=[C:2]([H:6])[H:7])[H:8],InChI=1S/C3H3NO/c1-2-4-5-3-1/h1-3H,"InChI=1S/C3H3NO/c1-2-3-4-5/h3H,1H2",75.82502,56.37733000000001,
5178,[o:1]1[c:2]([H:6])[c:3]([H:7])[c:4]([H:8])[n:5]1,[O:1]=[C:2]([C@:3]1([H:7])[C:4]([H:8])=[N:5]1)[H:6],InChI=1S/C3H3NO/c1-2-4-5-3-1/h1-3H,InChI=1S/C3H3NO/c5-2-3-1-4-3/h1-3H/t3-/m0/s1,50.22399,18.80479,ketoenol
5179,[C:1]([C@@:2]([O:3][H:11])([C@@:4]([C:5]([H:13])([H:14])[H:15])([O:6][H:16])[H:12])[H:10])([H:7])([H:8])[H:9],[C:1]([O:6][H:16])([H:7])([H:8])[H:9].[C:2](\[O:3][H:11])(=[C:4](\[C:5]([H:13])([H:14])[H:15])[H:12])[H:10],"InChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3/t3-,4-/m1/s1","InChI=1S/C3H6O.CH4O/c1-2-3-4;1-2/h2-4H,1H3;2H,1H3/b3-2-;",98.0715,25.79693,"1,3_Insertion_ROR"
5180,[C:1]([C@@:2]([O:3][H:11])([C@@:4]([C:5]([H:13])([H:14])[H:15])([O:6][H:16])[H:12])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2]([O:3][H:11])([O:6][H:16])[H:10])([H:7])([H:8])[H:9].[C:4]([C:5]([H:13])([H:14])[H:15])[H:12],"InChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3/t3-,4-/m1/s1","InChI=1S/C2H6O2.C2H4/c1-2(3)4;1-2/h2-4H,1H3;1H,2H3",100.98397,99.74923000000001,
5181,[C:1]([C@@:2]([O:3][H:11])([C@@:4]([C:5]([H:13])([H:14])[H:15])([O:6][H:16])[H:12])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2](=[O:3])[C:4]([C:5]([H:13])([H:14])[H:15])([H:10])[H:12])([H:7])([H:8])[H:9].[O:6]([H:11])[H:16],"InChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3/t3-,4-/m1/s1","InChI=1S/C4H8O.H2O/c1-3-4(2)5;/h3H2,1-2H3;1H2",54.04533000000001,-1.4099,
5182,[C:1]([C@@:2]([O:3][H:11])([C@@:4]([C:5]([H:13])([H:14])[H:15])([O:6][H:16])[H:12])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2](=[O:3])[H:10])([H:7])([H:8])[H:9].[C:4]([C:5]([H:13])([H:14])[H:15])(=[O:6])[H:12].[H:11][H:16],"InChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3/t3-,4-/m1/s1","InChI=1S/2C2H4O.H2/c2*1-2-3;/h2*2H,1H3;1H",61.22875,32.65985,
5183,[C:1]([C@@:2]([O:3][H:11])([C@@:4]([C:5]([H:13])([H:14])[H:15])([O:6][H:16])[H:12])[H:10])([H:7])([H:8])[H:9],[C:1](/[C:2](=[C:4](\[C:5]([H:13])([H:14])[H:15])[O:6][H:16])[H:10])([H:7])([H:8])[H:9].[O:3]([H:11])[H:12],"InChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3/t3-,4-/m1/s1","InChI=1S/C4H8O.H2O/c1-3-4(2)5;/h3,5H,1-2H3;1H2/b4-3+;",64.45741,9.28638,"1,3_Insertion_ROR"
5184,[C:1]([C@@:2]([O:3][H:11])([C@@:4]([C:5]([H:13])([H:14])[H:15])([O:6][H:16])[H:12])[H:10])([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:10].[C:2]([O:3][H:11])[C@@:4]([C:5]([H:13])([H:14])[H:15])([O:6][H:16])[H:12],"InChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3/t3-,4-/m1/s1","InChI=1S/C3H6O2.CH4/c1-3(5)2-4;/h3-5H,1H3;1H4/t3-;/m1./s1",70.11759,59.237840000000006,
5185,[C:1]([C@@:2]([O:3][H:11])([C@@:4]([C:5]([H:13])([H:14])[H:15])([O:6][H:16])[H:12])[H:10])([H:7])([H:8])[H:9],[C:1]([C@@:2]([O:3][H:16])([C:4](=[O:6])[H:12])[H:10])([H:7])([H:8])[H:9].[C:5]([H:11])([H:13])([H:14])[H:15],"InChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3/t3-,4-/m1/s1","InChI=1S/C3H6O2.CH4/c1-3(5)2-4;/h2-3,5H,1H3;1H4/t3-;/m1./s1",61.08283,7.7020800000000005,
5186,[C:1]([C@@:2]([O:3][H:11])([C@@:4]([C:5]([H:13])([H:14])[H:15])([O:6][H:16])[H:12])[H:10])([H:7])([H:8])[H:9],[C:1]([C@@:2]([O:3][H:16])([C:4]([C:5]([H:13])([H:14])[H:15])=[O:6])[H:10])([H:7])([H:8])[H:9].[H:11][H:12],"InChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3/t3-,4-/m1/s1","InChI=1S/C4H8O2.H2/c1-3(5)4(2)6;/h3,5H,1-2H3;1H/t3-;/m1./s1",50.47533,13.492170000000002,
5187,[C:1]([C@@:2]([O:3][H:11])([C@@:4]([C:5]([H:13])([H:14])[H:15])([O:6][H:16])[H:12])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2]([O:3][H:11])([H:10])[H:13])([H:7])([H:8])[H:9].[C:4](=[C:5]([H:14])[H:15])([O:6][H:16])[H:12],"InChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3/t3-,4-/m1/s1","InChI=1S/C2H6O.C2H4O/c2*1-2-3/h3H,2H2,1H3;2-3H,1H2",74.96531,22.0496,
5188,[C:1]([C@@:2]([O:3][H:11])([C@@:4]([C:5]([H:13])([H:14])[H:15])([O:6][H:16])[H:12])[H:10])([H:7])([H:8])[H:9],[C:1]([C:4]([C:5]([H:13])([H:14])[H:15])([O:6][H:16])[H:12])([H:7])([H:8])[H:9].[C:2]([O:3][H:11])[H:10],"InChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3/t3-,4-/m1/s1","InChI=1S/C3H8O.CH2O/c1-3(2)4;1-2/h3-4H,1-2H3;1-2H",120.01728,79.65446999999999,
5189,[C:1]([C@@:2]([O:3][H:11])([C@@:4]([C:5]([H:13])([H:14])[H:15])([O:6][H:16])[H:12])[H:10])([H:7])([H:8])[H:9],[C:1]([C@:2]1([H:10])[C@@:4]([O:6][H:16])([H:12])[C:5]1([H:14])[H:15])([H:7])([H:8])[H:9].[O:3]([H:11])[H:13],"InChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3/t3-,4-/m1/s1","InChI=1S/C4H8O.H2O/c1-3-2-4(3)5;/h3-5H,2H2,1H3;1H2/t3-,4+;/m0./s1",80.67995,23.710810000000002,
5190,[O:1]=[C:2]([C:3]#[N:4])[C:5]#[N:6],[O:1]=[C:2]([N+:4]#[C-:3])[C:5]#[N:6],InChI=1S/C3N2O/c4-1-3(6)2-5,InChI=1S/C3N2O/c1-5-3(6)2-4,45.83838,17.488429999999997,
5191,[O:1]=[C:2]([C:3]#[N:4])[C:5]#[N:6],[C:3](#[N:4])[C:5]#[N:6].[O+:1]#[C-:2],InChI=1S/C3N2O/c4-1-3(6)2-5,InChI=1S/C2N2.CO/c3-1-2-4;1-2,65.08423,-7.21962,
5192,[O:1]=[C:2]([C:3]#[N:4])[C:5]#[N:6],[O:1]=[C:2]=[C:3]=[N:4][C:5]#[N:6],InChI=1S/C3N2O/c4-1-3(6)2-5,InChI=1S/C3N2O/c4-3-5-1-2-6,86.42194,31.790540000000004,
5193,[O:1]=[C:2]([C:3]#[N:4])[C:5]#[N:6],[O:1]=[C:2]=[C:5]=[N:6][N+:4]#[C-:3],InChI=1S/C3N2O/c4-1-3(6)2-5,InChI=1S/C3N2O/c1-4-5-2-3-6,91.33265,73.4181,
5194,[O:1]=[C:2]([C:3]#[N:4])[C:5]#[N:6],[O+:1](=[C:2]=[C:5]=[N-:6])[C:3]#[N:4],InChI=1S/C3N2O/c4-1-3(6)2-5,InChI=1S/C3N2O/c4-1-2-6-3-5,89.96316999999999,67.2591,
5195,[O:1]=[C:2]([C:3]#[N:4])[C:5]#[N:6],[C:3](#[N:4])[N+:6]#[C-:5].[O+:1]#[C-:2],InChI=1S/C3N2O/c4-1-3(6)2-5,InChI=1S/C2N2.CO/c1-4-2-3;1-2,86.43695,20.280910000000002,
5196,[O:1]=[C:2]([N:3]([C:4]([C:5]#[N:6])([H:9])[H:10])[H:8])[H:7],[O:1](/[C:2](=[N:3]/[H:8])[H:7])[C:4]([C:5]#[N:6])([H:9])[H:10],"InChI=1S/C3H4N2O/c4-1-2-5-3-6/h3H,2H2,(H,5,6)","InChI=1S/C3H4N2O/c4-1-2-6-3-5/h3,5H,2H2/b5-3+",58.08871,15.827670000000001,ketoenol
5197,[O:1]=[C:2]([N:3]([C:4]([C:5]#[N:6])([H:9])[H:10])[H:8])[H:7],[O-:1][N+:6]#[C:5][C:4]([N:3]([C:2][H:7])[H:8])([H:9])[H:10],"InChI=1S/C3H4N2O/c4-1-2-5-3-6/h3H,2H2,(H,5,6)","InChI=1S/C3H4N2O/c1-4-2-3-5-6/h1,4H,2H2",129.19963,111.03123000000001,
5198,[O:1]=[C:2]([N:3]([C:4]([C:5]#[N:6])([H:9])[H:10])[H:8])[H:7],[O:1](/[C:2](=[N:3]/[H:8])[H:7])[C:5]1=[N:6][C:4]1([H:9])[H:10],"InChI=1S/C3H4N2O/c4-1-2-5-3-6/h3H,2H2,(H,5,6)","InChI=1S/C3H4N2O/c4-2-6-3-1-5-3/h2,4H,1H2/b4-2+",70.70203000000001,50.947829999999996,
5199,[O:1]=[C:2]([N:3]([C:4]([C:5]#[N:6])([H:9])[H:10])[H:8])[H:7],[H:7][H:8].[O:1]=[C:2]=[N:3][C:4]([C:5]#[N:6])([H:9])[H:10],"InChI=1S/C3H4N2O/c4-1-2-5-3-6/h3H,2H2,(H,5,6)",InChI=1S/C3H2N2O.H2/c4-1-2-5-3-6;/h2H2;1H,71.93401999999999,19.221770000000003,
5200,[O:1]=[C:2]([N:3]([C:4]([C:5]#[N:6])([H:9])[H:10])[H:8])[H:7],[N:3](=[C:4]([H:9])[H:10])[H:8].[O:1]=[C:2]([N+:6]#[C-:5])[H:7],"InChI=1S/C3H4N2O/c4-1-2-5-3-6/h3H,2H2,(H,5,6)","InChI=1S/C2HNO.CH3N/c1-3-2-4;1-2/h2H;2H,1H2",74.33579,56.48678,
5201,[O:1]=[C:2]([N:3]([C:4]([C:5]#[N:6])([H:9])[H:10])[H:8])[H:7],[O:1]=[C:2]1[N:3]([H:8])[C:4]([H:9])([H:10])[C-:5]=[N+:6]1[H:7],"InChI=1S/C3H4N2O/c4-1-2-5-3-6/h3H,2H2,(H,5,6)","InChI=1S/C3H4N2O/c6-3-4-1-2-5-3/h5H,1H2,(H,4,6)",70.74898,23.9709,
5202,[O:1]=[C:2]([N:3]([C:4]([C:5]#[N:6])([H:9])[H:10])[H:8])[H:7],[O:1]=[C:2]([N:3]([C:4]([N+:6]#[C-:5])([H:9])[H:10])[H:8])[H:7],"InChI=1S/C3H4N2O/c4-1-2-5-3-6/h3H,2H2,(H,5,6)","InChI=1S/C3H4N2O/c1-4-2-5-3-6/h3H,2H2,(H,5,6)",53.823409999999996,24.448439999999998,
5203,[O:1]=[C:2]([N:3]([C:4]([C:5]#[N:6])([H:9])[H:10])[H:8])[H:7],[N:3](=[C:4]([H:9])[H:10])[H:8].[O:1]=[C:2]([C:5]#[N:6])[H:7],"InChI=1S/C3H4N2O/c4-1-2-5-3-6/h3H,2H2,(H,5,6)","InChI=1S/C2HNO.CH3N/c3-1-2-4;1-2/h2H;2H,1H2",75.32092,40.21134,
5204,[O:1]=[C:2]([N:3]([C:4]([C:5]#[N:6])([H:9])[H:10])[H:8])[H:7],[O:1]=[C:5]1[C:4]([H:9])([H:10])[N:3]([H:8])[C:2]([H:7])=[N:6]1,"InChI=1S/C3H4N2O/c4-1-2-5-3-6/h3H,2H2,(H,5,6)","InChI=1S/C3H4N2O/c6-3-1-4-2-5-3/h2H,1H2,(H,4,5,6)",121.90458000000001,-4.72067,
5205,[O:1]=[C:2]([N:3]([C:4]([C:5]#[N:6])([H:9])[H:10])[H:8])[H:7],[O+:1](=[C:2]([N:3]([C-:4]([H:9])[H:10])[H:8])[H:7])[C:5]#[N:6],"InChI=1S/C3H4N2O/c4-1-2-5-3-6/h3H,2H2,(H,5,6)","InChI=1S/C3H4N2O/c1-5-3-6-2-4/h3,5H,1H2",78.37921999999999,70.14783,
5206,[O:1]=[C:2]([N:3]([C:4]([C:5]#[N:6])([H:9])[H:10])[H:8])[H:7],[C:5](#[N:6])[H:7].[N:3](=[C:4]([H:9])[H:10])[H:8].[O+:1]#[C-:2],"InChI=1S/C3H4N2O/c4-1-2-5-3-6/h3H,2H2,(H,5,6)","InChI=1S/CH3N.CHN.CO/c3*1-2/h2H,1H2;1H;",64.15656,35.36408,
5207,[O:1]=[C:2]([N:3]([C:4]([C:5]#[N:6])([H:9])[H:10])[H:8])[H:7],[N:3](=[C:4](\[C:5]#[N:6])[H:10])\[H:8].[O:1]=[C:2]([H:7])[H:9],"InChI=1S/C3H4N2O/c4-1-2-5-3-6/h3H,2H2,(H,5,6)","InChI=1S/C2H2N2.CH2O/c3-1-2-4;1-2/h1,3H;1H2/b3-1-;",82.59099,37.00515,
5208,[O:1]=[C:2]([N:3]([C:4]([C:5]#[N:6])([H:9])[H:10])[H:8])[H:7],[H:8][H:9].[O:1]1[C:2]([H:7])=[N:3][C@@:4]1([C:5]#[N:6])[H:10],"InChI=1S/C3H4N2O/c4-1-2-5-3-6/h3H,2H2,(H,5,6)",InChI=1S/C3H2N2O.H2/c4-1-3-5-2-6-3;/h2-3H;1H/t3-;/m0./s1,101.28322,60.676469999999995,
5209,[O:1]=[C:2]([N:3]([C:4]([C:5]#[N:6])([H:9])[H:10])[H:8])[H:7],[O:1]([C+:2]([N:3]([C:4](=[C:5]=[N-:6])[H:10])[H:8])[H:7])[H:9],"InChI=1S/C3H4N2O/c4-1-2-5-3-6/h3H,2H2,(H,5,6)","InChI=1S/C3H4N2O/c4-1-2-5-3-6/h2-3,5-6H",42.75486,32.64421,
5210,[O:1]=[C:2]([N:3]([C:4]([C:5]#[N:6])([H:9])[H:10])[H:8])[H:7],[O:1](/[C:2](=[N:3]/[H:8])[H:7])[N:6]=[C:5]=[C:4]([H:9])[H:10],"InChI=1S/C3H4N2O/c4-1-2-5-3-6/h3H,2H2,(H,5,6)","InChI=1S/C3H4N2O/c1-2-5-6-3-4/h3-4H,1H2/b4-3+",76.7036,71.69285,
5211,[O:1]=[C:2]([N:3]([C:4]([C:5]#[N:6])([H:9])[H:10])[H:8])[H:7],[O:1]=[C:2]([N+:3]([C-:4]([C:5]#[N:6])[H:10])([H:8])[H:9])[H:7],"InChI=1S/C3H4N2O/c4-1-2-5-3-6/h3H,2H2,(H,5,6)","InChI=1S/C3H4N2O/c4-1-2-5-3-6/h2-3H,5H2",81.8797,55.78436,
5212,[O:1]=[C:2]([N:3]([C:4]([C:5]#[N:6])([H:9])[H:10])[H:8])[H:7],[O:1]([C:2][N:3]([C:4]([C:5]#[N:6])([H:9])[H:10])[H:8])[H:7],"InChI=1S/C3H4N2O/c4-1-2-5-3-6/h3H,2H2,(H,5,6)","InChI=1S/C3H4N2O/c4-1-2-5-3-6/h5-6H,2H2",72.72589,42.89798,
5213,[O:1]=[C:2]([N:3]([C:4]([C:5]#[N:6])([H:9])[H:10])[H:8])[H:7],[O:1](/[C:2](=[N:3]/[C:4]([C:5]#[N:6])([H:9])[H:10])[H:7])[H:8],"InChI=1S/C3H4N2O/c4-1-2-5-3-6/h3H,2H2,(H,5,6)","InChI=1S/C3H4N2O/c4-1-2-5-3-6/h3H,2H2,(H,5,6)",40.966120000000004,8.577010000000001,ketoenol
5214,[C:1]([C:2]([C:3]([C:4]#[C:5][C:6]([H:14])([H:15])[H:16])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C+:3](=[C:4]=[C-:5][C:6]([H:14])([H:15])[H:16])[H:12].[C:1]([C:2]([H:10])([H:11])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-3-5-6-4-2/h3,5H2,1-2H3","InChI=1S/C4H4.C2H6/c1-3-4-2;1-2/h1H,2H3;1-2H3",74.36326,82.67359,
5215,[C:1]([C:2]([C:3]([C:4]#[C:5][C:6]([H:14])([H:15])[H:16])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](/[C:3](=[C:4](\[C:5][C:6]([H:14])([H:15])[H:16])[H:13])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-3-5-6-4-2/h3,5H2,1-2H3","InChI=1S/C6H10/c1-3-5-6-4-2/h5-6H,3H2,1-2H3/b6-5-",68.0529,58.00708,
5216,[C:1]([C:2]([C:3]([C:4]#[C:5][C:6]([H:14])([H:15])[H:16])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([C:5](=[C:4])[C:6]([H:14])([H:15])[H:16])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-3-5-6-4-2/h3,5H2,1-2H3","InChI=1S/C6H10/c1-4-5-6(2)3/h4-5H2,1-2H3",56.92977,54.332440000000005,
5217,[C:1]([C:2]([C:3]([C:4]#[C:5][C:6]([H:14])([H:15])[H:16])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]([H:10])[H:11])([H:7])[H:8].[C:3](=[C:4]=[C:5]([C:6]([H:14])([H:15])[H:16])[H:9])([H:12])[H:13],"InChI=1S/C6H10/c1-3-5-6-4-2/h3,5H2,1-2H3","InChI=1S/C4H6.C2H4/c1-3-4-2;1-2/h4H,1H2,2H3;1-2H2",44.66989,22.86071,Retroene
5218,[C:1]([C:2]([C:3]([C:4]#[C:5][C:6]([H:14])([H:15])[H:16])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3](=[C:4]=[C:5]([C:6]([H:14])([H:15])[H:16])[H:13])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-3-5-6-4-2/h3,5H2,1-2H3","InChI=1S/C6H10/c1-3-5-6-4-2/h3,6H,4H2,1-2H3",82.85905,-2.13231,
5219,[C:1]([C:2]([C:3]([C:4]#[C:5][C:6]([H:14])([H:15])[H:16])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:12])([H:13])[C:4][C@:5]1([C:6]([H:14])([H:15])[H:16])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-3-5-6-4-2/h3,5H2,1-2H3","InChI=1S/C6H10/c1-5-3-4-6(5)2/h5-6H,3H2,1-2H3/t5-,6+/m0/s1",92.4332,72.17860999999999,
5220,[C:1]([C:2]#[C:3][C:4]([C:5]([H:11])([H:12])[H:13])([C:6]([H:14])([H:15])[H:16])[H:10])([H:7])([H:8])[H:9],[C:1]([C@:2]1([H:16])[C:3][C@@:4]([C:5]([H:11])([H:12])[H:13])([H:10])[C:6]1([H:14])[H:15])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-4-5-6(2)3/h6H,1-3H3","InChI=1S/C6H10/c1-5-3-6(2)4-5/h5-6H,3H2,1-2H3/t5-,6+",94.91888,64.27544,
5221,[C:1]([C:2]#[C:3][C:4]([C:5]([H:11])([H:12])[H:13])([C:6]([H:14])([H:15])[H:16])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2]/[C:3](=[C:4](\[C:5]([H:11])([H:12])[H:13])[H:10])[C:6]([H:14])([H:15])[H:16])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-4-5-6(2)3/h6H,1-3H3","InChI=1S/C6H10/c1-4-6(3)5-2/h4H,1-3H3/b6-4-",76.34912,53.73205,
5222,[C:1]([C:2]#[C:3][C:4]([C:5]([H:11])([H:12])[H:13])([C:6]([H:14])([H:15])[H:16])[H:10])([H:7])([H:8])[H:9],[C:1](=[C:2]=[C:3]([C:4]([C:5]([H:11])([H:12])[H:13])([C:6]([H:14])([H:15])[H:16])[H:10])[H:9])([H:7])[H:8],"InChI=1S/C6H10/c1-4-5-6(2)3/h6H,1-3H3","InChI=1S/C6H10/c1-4-5-6(2)3/h5-6H,1H2,2-3H3",74.90961999999999,-0.44683,
5223,[C:1]([C:2]#[C:3][C:4]([C:5]([H:11])([H:12])[H:13])([C:6]([H:14])([H:15])[H:16])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]=[C:4]([C:6]([H:14])([H:15])[H:16])[H:10])[C:5]([H:11])([H:12])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-4-5-6(2)3/h6H,1-3H3","InChI=1S/C6H10/c1-4-5-6(2)3/h4H,1-3H3",74.03217,-4.29937,
5224,[C:1]([C:2]#[C:3][C:4]([C:5]([H:11])([H:12])[H:13])([C:6]([H:14])([H:15])[H:16])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3])[C:4]([C:5]([H:11])([H:12])[H:13])([C:6]([H:14])([H:15])[H:16])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-4-5-6(2)3/h6H,1-3H3","InChI=1S/C6H10/c1-5(2)6(3)4/h5H,1-3H3",57.27445,55.07395,
5225,[C:1]([C:2]#[C:3][C:4]([C:5]([H:11])([H:12])[H:13])([C:6]([H:14])([H:15])[H:16])[H:10])([H:7])([H:8])[H:9],[C:1]([C-:2]=[C:3]([C+:4]([C:5]([H:11])([H:12])[H:13])[C:6]([H:14])([H:15])[H:16])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-4-5-6(2)3/h6H,1-3H3","InChI=1S/C6H10/c1-4-5-6(2)3/h5H,1-3H3",65.0017,49.36414,
5226,[C:1]([C:2]#[C:3][C:4]([C:5]([H:11])([H:12])[H:13])([C:6]([H:14])([H:15])[H:16])[H:10])([H:7])([H:8])[H:9],[C:1](=[C:2]=[C:3]1[C@:4]([C:6]([H:14])([H:15])[H:16])([H:10])[C:5]1([H:11])[H:12])([H:7])[H:8].[H:9][H:13],"InChI=1S/C6H10/c1-4-5-6(2)3/h6H,1-3H3","InChI=1S/C6H8.H2/c1-3-6-4-5(6)2;/h5H,1,4H2,2H3;1H/t5-;/m0./s1",83.36024,41.64175,
5227,[C:1]([C:2]#[C:3][C:4]([C:5]([H:11])([H:12])[H:13])([C:6]([H:14])([H:15])[H:16])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2][C@:3]1([H:16])[C@@:4]([C:5]([H:11])([H:12])[H:13])([H:10])[C:6]1([H:14])[H:15])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-4-5-6(2)3/h6H,1-3H3","InChI=1S/C6H10/c1-3-6-4-5(6)2/h5-6H,4H2,1-2H3/t5-,6+/m1/s1",85.81905,62.18915,
5228,[C:1]([C:2]#[C:3][C:4]([C:5]([H:11])([H:12])[H:13])([C:6]([H:14])([H:15])[H:16])[H:10])([H:7])([H:8])[H:9],[C+:1]([C:2](=[C-:3][C:4]([C:5]([H:11])([H:12])[H:13])([C:6]([H:14])([H:15])[H:16])[H:10])[H:9])([H:7])[H:8],"InChI=1S/C6H10/c1-4-5-6(2)3/h6H,1-3H3","InChI=1S/C6H10/c1-4-5-6(2)3/h4,6H,1H2,2-3H3",71.47385,61.55783,
5229,[C:1]([C:2]#[C:3][C:4]([C:5]([H:11])([H:12])[H:13])([C:6]([H:14])([H:15])[H:16])[H:10])([H:7])([H:8])[H:9],[C:1](=[C:2]=[C:3]=[C:4]([C:6]([H:14])([H:15])[H:16])[H:10])([H:7])[H:8].[C:5]([H:9])([H:11])([H:12])[H:13],"InChI=1S/C6H10/c1-4-5-6(2)3/h6H,1-3H3","InChI=1S/C5H6.CH4/c1-3-5-4-2;/h4H,1H2,2H3;1H4",84.10942,18.94686,
5230,[C:1]([C:2]([C:3]([N:4]([C:5](=[O:6])[H:15])[H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]([H:12])[H:13])[H:11])([H:7])([H:8])[H:9].[N:4](=[C:5](/[O:6][H:10])[H:15])\[H:14],"InChI=1S/C4H9NO/c1-2-3-5-4-6/h4H,2-3H2,1H3,(H,5,6)","InChI=1S/C3H6.CH3NO/c1-3-2;2-1-3/h3H,1H2,2H3;1H,(H2,2,3)",52.40316,24.731370000000002,Retroene
5231,[C:1]([C:2]([C:3]([N:4]([C:5](=[O:6])[H:15])[H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([N:4]([C:5][O:6][H:15])[H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-2-3-5-4-6/h4H,2-3H2,1H3,(H,5,6)","InChI=1S/C4H9NO/c1-2-3-5-4-6/h5-6H,2-3H2,1H3",73.17448,43.67538,
5232,[C:1]([C:2]([C:3]([N:4]([C:5](=[O:6])[H:15])[H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C-:3](=[N+:4]([C:5](=[O:6])[H:15])[H:14])[H:13].[C:1]([C:2]([H:10])([H:11])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-2-3-5-4-6/h4H,2-3H2,1H3,(H,5,6)",InChI=1S/C2H3NO.C2H6/c1-3-2-4;1-2/h1-3H;1-2H3,74.23534000000001,73.65547,
5233,[C:1]([C:2]([C:3]([N:4]([C:5](=[O:6])[H:15])[H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]([H:10])[H:11])([H:7])[H:8].[C:3](=[N:4][H:14])([H:12])[H:13].[C:5](=[O:6])([H:9])[H:15],"InChI=1S/C4H9NO/c1-2-3-5-4-6/h4H,2-3H2,1H3,(H,5,6)","InChI=1S/C2H4.CH3N.CH2O/c3*1-2/h1-2H2;2H,1H2;1H2",77.35734000000001,65.21916999999999,
5234,[C:1]([C:2]([C:3]([N:4]([C:5](=[O:6])[H:15])[H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:5](=[O:6])[H:15])([H:10])[H:11])([H:7])([H:8])[H:9].[C:3](=[N:4][H:14])([H:12])[H:13],"InChI=1S/C4H9NO/c1-2-3-5-4-6/h4H,2-3H2,1H3,(H,5,6)","InChI=1S/C3H6O.CH3N/c1-2-3-4;1-2/h3H,2H2,1H3;2H,1H2",92.4036,34.20431,
5235,[C:1]([C:2]([C:3]([N:4]([C:5](=[O:6])[H:15])[H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([O+:6]=[C:5]([N:4]([C-:3]([H:12])[H:13])[H:14])[H:15])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-2-3-5-4-6/h4H,2-3H2,1H3,(H,5,6)","InChI=1S/C4H9NO/c1-3-6-4-5-2/h4-5H,2-3H2,1H3",77.54133,65.89827,
5236,[C:1]([C:2]([C:3]([N:4]([C:5](=[O:6])[H:15])[H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([O:6]/[C:5](=[N:4]/[H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-2-3-5-4-6/h4H,2-3H2,1H3,(H,5,6)","InChI=1S/C4H9NO/c1-2-3-6-4-5/h4-5H,2-3H2,1H3/b5-4+",59.566,15.35149,ketoenol
5237,[C:1]([C:2]([C:3]([N:4]([C:5](=[O:6])[H:15])[H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](/[C:2](=[C:3](\[N:4]=[C:5](/[O:6][H:13])[H:15])[H:12])[H:11])([H:7])([H:8])[H:9].[H:10][H:14],"InChI=1S/C4H9NO/c1-2-3-5-4-6/h4H,2-3H2,1H3,(H,5,6)","InChI=1S/C4H7NO.H2/c1-2-3-5-4-6;/h2-4H,1H3,(H,5,6);1H/b3-2-;",85.21056,33.823479999999996,
5238,[C:1]([C:2]([C:3]([N:4]([C:5](=[O:6])[H:15])[H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([N:4]=[C:5]=[O:6])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9].[H:14][H:15],"InChI=1S/C4H9NO/c1-2-3-5-4-6/h4H,2-3H2,1H3,(H,5,6)","InChI=1S/C4H7NO.H2/c1-2-3-5-4-6;/h2-3H2,1H3;1H",70.28553000000001,16.06718,
5239,[C:1]([C:2]([C:3]([N:4]([C:5](=[O:6])[H:15])[H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]([H:14])[C@:5]1([O:6][H:10])[H:15])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-2-3-5-4-6/h4H,2-3H2,1H3,(H,5,6)","InChI=1S/C4H9NO/c1-3-2-5-4(3)6/h3-6H,2H2,1H3/t3-,4+/m1/s1",90.15619000000001,26.95856,
5240,[C:1]([C:2]([C:3]([N:4]([C:5](=[O:6])[H:15])[H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C-:5]#[O+:6].[C:1]([C:2]([C:3]([N:4]([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-2-3-5-4-6/h4H,2-3H2,1H3,(H,5,6)","InChI=1S/C3H9N.CO/c1-2-3-4;1-2/h2-4H2,1H3;",76.04405,15.13026,"1,2_Insertion_CO"
5241,[C:1]([C:2]([C:3]([N:4]([C:5](=[O:6])[H:15])[H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3](/[N:4]=[C:5](/[O:6][H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-2-3-5-4-6/h4H,2-3H2,1H3,(H,5,6)","InChI=1S/C4H9NO/c1-2-3-5-4-6/h4H,2-3H2,1H3,(H,5,6)",41.17709,9.25356,ketoenol
5242,[C:1]([C:2]([C:3]([N:4]([C:5](=[O:6])[H:15])[H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](/[C:3](=[N:4]\[H:14])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9].[C:5](=[O:6])([H:12])[H:15],"InChI=1S/C4H9NO/c1-2-3-5-4-6/h4H,2-3H2,1H3,(H,5,6)","InChI=1S/C3H7N.CH2O/c1-2-3-4;1-2/h3-4H,2H2,1H3;1H2/b4-3-;",93.18127,36.70084,
5243,[C:1]([C:2]([C:3]([N:4]([C:5](=[O:6])[H:15])[H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]1[H:14])([H:7])([H:8])[H:9].[C:5](=[O:6])([H:10])[H:15],"InChI=1S/C4H9NO/c1-2-3-5-4-6/h4H,2-3H2,1H3,(H,5,6)","InChI=1S/C3H7N.CH2O/c1-3-2-4-3;1-2/h3-4H,2H2,1H3;1H2/t3-;/m1./s1",96.41391,54.8437,
5244,[C:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]1([O:5][H:13])[H:12])([H:6])([H:7])[H:8],[C:1]([C:2](/[C:3](=[C:4](/[O:5][H:13])[H:12])[H:10])([H:9])[H:11])([H:6])([H:7])[H:8],"InChI=1S/C4H8O/c1-3-2-4(3)5/h3-5H,2H2,1H3/t3-,4+/m0/s1","InChI=1S/C4H8O/c1-2-3-4-5/h3-5H,2H2,1H3/b4-3+",66.84231,-9.86619,
5245,[C:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]1([O:5][H:13])[H:12])([H:6])([H:7])[H:8],[C:1]([C:2][C@@:4]([C:3]([H:9])([H:10])[H:11])([O:5][H:13])[H:12])([H:6])([H:7])[H:8],"InChI=1S/C4H8O/c1-3-2-4(3)5/h3-5H,2H2,1H3/t3-,4+/m0/s1","InChI=1S/C4H8O/c1-3-4(2)5/h4-5H,1-2H3/t4-/m1/s1",66.48615,64.37863,
5246,[C:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]1([O:5][H:13])[H:12])([H:6])([H:7])[H:8],[C:1]([H:6])([H:7])([H:8])[H:10].[C:2]1([H:9])=[C:3]([H:11])[C:4]1([O:5][H:13])[H:12],"InChI=1S/C4H8O/c1-3-2-4(3)5/h3-5H,2H2,1H3/t3-,4+/m0/s1",InChI=1S/C3H4O.CH4/c4-3-1-2-3;/h1-4H;1H4,111.88203999999999,38.23392,
5247,[C:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]1([O:5][H:13])[H:12])([H:6])([H:7])[H:8],[C:1]([C:2]([C:3]([C:4][O:5][H:13])([H:10])[H:11])([H:9])[H:12])([H:6])([H:7])[H:8],"InChI=1S/C4H8O/c1-3-2-4(3)5/h3-5H,2H2,1H3/t3-,4+/m0/s1","InChI=1S/C4H8O/c1-2-3-4-5/h5H,2-3H2,1H3",51.7492,38.08494,
5248,[C:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]1([O:5][H:13])[H:12])([H:6])([H:7])[H:8],[C:1]([C@@:2]([C:3]([C:4][H:12])([H:10])[H:11])([O:5][H:13])[H:9])([H:6])([H:7])[H:8],"InChI=1S/C4H8O/c1-3-2-4(3)5/h3-5H,2H2,1H3/t3-,4+/m0/s1","InChI=1S/C4H8O/c1-3-4(2)5/h1,4-5H,3H2,2H3/t4-/m0/s1",88.34034,77.30996999999999,
5249,[C:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]1([O:5][H:13])[H:12])([H:6])([H:7])[H:8],[C:1]([O:5][H:13])([H:6])([H:7])[H:8].[C:2]1([H:9])=[C:4]([H:12])[C:3]1([H:10])[H:11],"InChI=1S/C4H8O/c1-3-2-4(3)5/h3-5H,2H2,1H3/t3-,4+/m0/s1","InChI=1S/C3H4.CH4O/c1-2-3-1;1-2/h1-2H,3H2;2H,1H3",103.21636,50.63922,
5250,[C:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]1([O:5][H:13])[H:12])([H:6])([H:7])[H:8],[C:1]([C:2]1([H:9])[C:3]([H:11])=[C:4]1[H:12])([H:6])([H:7])[H:8].[O:5]([H:10])[H:13],"InChI=1S/C4H8O/c1-3-2-4(3)5/h3-5H,2H2,1H3/t3-,4+/m0/s1","InChI=1S/C4H6.H2O/c1-4-2-3-4;/h2-4H,1H3;1H2",72.54495,35.87389,
5251,[C:1]([O:2][C:3]([C:4]([C:5](=[O:6])[H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O+:2]=[C-:3][H:10])([H:7])([H:8])[H:9].[C:4]([C:5](=[O:6])[H:14])([H:11])([H:12])[H:13],"InChI=1S/C4H8O2/c1-6-4-2-3-5/h3H,2,4H2,1H3","InChI=1S/2C2H4O/c1-3-2;1-2-3/h1H,2H3;2H,1H3",63.802240000000005,66.27534,
5252,[C:1]([O:2][C:3]([C:4]([C:5](=[O:6])[H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:2][C:3]([C:4]([O+:6]=[C-:5][H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-6-4-2-3-5/h3H,2,4H2,1H3","InChI=1S/C4H8O2/c1-5-3-4-6-2/h1H,3-4H2,2H3",110.98233,69.28454,
5253,[C:1]([O:2][C:3]([C:4]([C:5](=[O:6])[H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:2][C:5](=[O:6])[H:14])([H:7])([H:8])[H:9].[C:3](=[C:4]([H:12])[H:13])([H:10])[H:11],"InChI=1S/C4H8O2/c1-6-4-2-3-5/h3H,2,4H2,1H3","InChI=1S/C2H4O2.C2H4/c1-4-2-3;1-2/h2H,1H3;1-2H2",48.82712,0.45498,
5254,[C:1]([O:2][C:3]([C:4]([C:5](=[O:6])[H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:2][C:3]([O:6][C:5](=[C:4]([H:12])[H:13])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-6-4-2-3-5/h3H,2,4H2,1H3","InChI=1S/C4H8O2/c1-3-6-4-5-2/h3H,1,4H2,2H3",57.90882,11.749310000000001,ketoenol
5255,[C:1]([O:2][C:3]([C:4]([C:5](=[O:6])[H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C-:5]#[O+:6].[C:1]([O:2][C:3]([C:4]([H:9])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:14],"InChI=1S/C4H8O2/c1-6-4-2-3-5/h3H,2,4H2,1H3","InChI=1S/C3H8O.CO/c1-3-4-2;1-2/h3H2,1-2H3;",88.36336999999999,-2.48814,"1,2_Insertion_CO"
5256,[C:1]([O:2][C:3]([C:4]([C:5](=[O:6])[H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:2][C:3](/[C:4](=[C:5](/[O:6][H:13])[H:14])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-6-4-2-3-5/h3H,2,4H2,1H3","InChI=1S/C4H8O2/c1-6-4-2-3-5/h2-3,5H,4H2,1H3/b3-2+",62.65379,5.79555,ketoenol
5257,[C:1]([O:2][C:3]([C:4]([C:5](=[O:6])[H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:2][C:3]([C:4]([C:5][O:6][H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-6-4-2-3-5/h3H,2,4H2,1H3","InChI=1S/C4H8O2/c1-6-4-2-3-5/h5H,2,4H2,1H3",80.83719,54.961659999999995,
5258,[C:1]([O:2][C:3]([C:4]([C:5](=[O:6])[H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:2][C:3](=[C:4]([H:12])[H:13])[H:10])([H:7])([H:8])[H:9].[C:5](=[O:6])([H:11])[H:14],"InChI=1S/C4H8O2/c1-6-4-2-3-5/h3H,2,4H2,1H3","InChI=1S/C3H6O.CH2O/c1-3-4-2;1-2/h3H,1H2,2H3;1H2",58.84101,24.451439999999998,
5259,[C:1]([O:2][C:3]([C:4]([C:5](=[O:6])[H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:6][C@@:5]1([H:14])[O:2][C:3]([H:10])([H:11])[C:4]1([H:12])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-6-4-2-3-5/h3H,2,4H2,1H3","InChI=1S/C4H8O2/c1-5-4-2-3-6-4/h4H,2-3H2,1H3/t4-/m0/s1",72.61151,12.66111,
5260,[C:1]([O:2][C:3]([C:4]([C:5](=[O:6])[H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:2][H:13])([H:7])([H:8])[H:9].[C:3](=[C:4]([C:5](=[O:6])[H:14])[H:12])([H:10])[H:11],"InChI=1S/C4H8O2/c1-6-4-2-3-5/h3H,2,4H2,1H3","InChI=1S/C3H4O.CH4O/c1-2-3-4;1-2/h2-3H,1H2;2H,1H3",47.91449,9.43993,"1,3_Insertion_ROR"
5261,[C:1]([O:2][C:3]([C:4]([C:5](=[O:6])[H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](=[O:2])([H:7])[H:8].[C:3](=[C:4]([C:5](=[O:6])[H:14])[H:12])([H:10])[H:11].[H:9][H:13],"InChI=1S/C4H8O2/c1-6-4-2-3-5/h3H,2,4H2,1H3","InChI=1S/C3H4O.CH2O.H2/c1-2-3-4;1-2;/h2-3H,1H2;1H2;1H",55.104490000000006,32.27195,
5262,[C:1]([O:2][C:3]([C:4]([C:5](=[O:6])[H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:2]/[C:3](=[C:4](\[C:5](=[O:6])[H:14])[H:12])[H:10])([H:7])([H:8])[H:9].[H:11][H:13],"InChI=1S/C4H8O2/c1-6-4-2-3-5/h3H,2,4H2,1H3","InChI=1S/C4H6O2.H2/c1-6-4-2-3-5;/h2-4H,1H3;1H/b4-2-;",87.52711,18.68423,
5263,[C:1]([O:2][C:3]([C:4]([C:5](=[O:6])[H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:2][C@:3]([C:4]([H:11])([H:12])[H:13])([C:5](=[O:6])[H:14])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-6-4-2-3-5/h3H,2,4H2,1H3","InChI=1S/C4H8O2/c1-4(3-5)6-2/h3-4H,1-2H3/t4-/m1/s1",90.70011,-1.50538,
5264,[C:1]([C:2]([N:3]1[C:4]([H:11])([H:12])[C:5]1([H:13])[H:14])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1](=[C:2]([H:9])[H:10])([H:6])[H:7].[H:8][H:11].[N:3]1=[C:4]([H:12])[C:5]1([H:13])[H:14],"InChI=1S/C4H9N/c1-2-5-3-4-5/h2-4H2,1H3","InChI=1S/C2H3N.C2H4.H2/c1-2-3-1;1-2;/h1H,2H2;1-2H2;1H",72.86145,54.90936,
5265,[C:1]([C:2]([N:3]1[C:4]([H:11])([H:12])[C:5]1([H:13])[H:14])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([C:2]([C:4]([N:3]=[C:5]([H:13])[H:14])([H:11])[H:12])([H:9])[H:10])([H:6])([H:7])[H:8],"InChI=1S/C4H9N/c1-2-5-3-4-5/h2-4H2,1H3","InChI=1S/C4H9N/c1-3-4-5-2/h2-4H2,1H3",86.12959000000001,-16.55836,
5266,[C:1]([C:2]([N:3]1[C:4]([H:11])([H:12])[C:5]1([H:13])[H:14])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([C-:2]([N+:3]1=[C:5]([H:14])[C:4]1([H:11])[H:12])[H:10])([H:6])([H:7])[H:8].[H:9][H:13],"InChI=1S/C4H9N/c1-2-5-3-4-5/h2-4H2,1H3","InChI=1S/C4H7N.H2/c1-2-5-3-4-5;/h2-3H,4H2,1H3;1H",67.38049000000001,62.9012,
5267,[C:1]([C:2]([N:3]1[C:4]([H:11])([H:12])[C:5]1([H:13])[H:14])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1](=[C:2]([N:3]1[C:4]([H:11])([H:12])[C:5]1([H:13])[H:14])[H:10])([H:6])[H:7].[H:8][H:9],"InChI=1S/C4H9N/c1-2-5-3-4-5/h2-4H2,1H3","InChI=1S/C4H7N.H2/c1-2-5-3-4-5;/h2H,1,3-4H2;1H",97.6035,27.22223,
5268,[C:1]([C:2]([N:3]1[C:4]([H:11])([H:12])[C:5]1([H:13])[H:14])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([C:2]([N+:3]([C-:4]([H:11])[H:12])=[C:5]([H:13])[H:14])([H:9])[H:10])([H:6])([H:7])[H:8],"InChI=1S/C4H9N/c1-2-5-3-4-5/h2-4H2,1H3","InChI=1S/C4H9N/c1-4-5(2)3/h2-4H2,1H3",38.35822,18.7243,
5269,[C:1]([C:2]([N:3]1[C:4]([H:11])([H:12])[C:5]1([H:13])[H:14])([H:9])[H:10])([H:6])([H:7])[H:8],[C-:2]([N+:3]1=[C:5]([H:14])[C:4]1([H:11])[H:12])([H:9])[H:10].[C:1]([H:6])([H:7])([H:8])[H:13],"InChI=1S/C4H9N/c1-2-5-3-4-5/h2-4H2,1H3","InChI=1S/C3H5N.CH4/c1-4-2-3-4;/h2H,1,3H2;1H4",76.19038,52.351490000000005,
5270,[C:1]([C:2]([N:3]1[C:4]([H:11])([H:12])[C:5]1([H:13])[H:14])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([C:2]([N+:3]1([H:13])[C:4]([H:11])([H:12])[C-:5]1[H:14])([H:9])[H:10])([H:6])([H:7])[H:8],"InChI=1S/C4H9N/c1-2-5-3-4-5/h2-4H2,1H3","InChI=1S/C4H9N/c1-2-5-3-4-5/h3,5H,2,4H2,1H3",63.39881,52.95978,
5271,[N:1](=[C:2]1\[C:3]([H:8])([H:9])[N:4]=[C:5]([H:10])[N:6]1[H:11])\[H:7],[N-:1]([c:2]1[c:3]([H:9])[n:4]([H:8])[c+:5]([H:10])[n:6]1[H:11])[H:7],"InChI=1S/C3H5N3/c4-3-1-5-2-6-3/h2H,1H2,(H2,4,5,6)","InChI=1S/C3H5N3/c4-3-1-5-2-6-3/h1-2,4-6H",56.63782,24.128829999999997,
5272,[N:1](=[C:2]1\[C:3]([H:8])([H:9])[N:4]=[C:5]([H:10])[N:6]1[H:11])\[H:7],[N:1](=[C:2]([C:3]([N+:4]#[C-:5])([H:8])[H:9])[N:6]([H:10])[H:11])[H:7],"InChI=1S/C3H5N3/c4-3-1-5-2-6-3/h2H,1H2,(H2,4,5,6)","InChI=1S/C3H5N3/c1-6-2-3(4)5/h2H2,(H3,4,5)",72.91233000000001,25.03292,
5273,[N:1](=[C:2]1\[C:3]([H:8])([H:9])[N:4]=[C:5]([H:10])[N:6]1[H:11])\[H:7],[N:1]1([H:7])/[C:2](=[N:6]\[H:11])[C:3]1([H:8])[H:9].[N:4]#[C:5][H:10],"InChI=1S/C3H5N3/c4-3-1-5-2-6-3/h2H,1H2,(H2,4,5,6)","InChI=1S/C2H4N2.CHN/c3-2-1-4-2;1-2/h1H2,(H2,3,4);1H",79.30102,54.76554,
5274,[N:1](=[C:2]1\[C:3]([H:8])([H:9])[N:4]=[C:5]([H:10])[N:6]1[H:11])\[H:7],[C:3](=[N:4]/[C:5](=[N:6]/[H:11])[H:10])([H:8])[H:9].[N:1](=[C:2])[H:7],"InChI=1S/C3H5N3/c4-3-1-5-2-6-3/h2H,1H2,(H2,4,5,6)","InChI=1S/C2H4N2.CHN/c1-4-2-3;1-2/h2-3H,1H2;2H/b3-2+;",61.83968,58.45542,
5275,[N:1](=[C:2]1\[C:3]([H:8])([H:9])[N:4]=[C:5]([H:10])[N:6]1[H:11])\[H:7],[N:1](=[C:2]1\[C:3]([H:8])([H:9])[N+:4]([H:10])=[C-:5][N:6]1[H:11])\[H:7],"InChI=1S/C3H5N3/c4-3-1-5-2-6-3/h2H,1H2,(H2,4,5,6)","InChI=1S/C3H5N3/c4-3-1-5-2-6-3/h5H,1H2,(H2,4,6)",66.62895999999999,26.622870000000002,
5276,[N:1](=[C:2]1\[C:3]([H:8])([H:9])[N:4]=[C:5]([H:10])[N:6]1[H:11])\[H:7],[N:1]([c:2]1[c:3]([H:9])[n:4][c:5]([H:10])[n:6]1[H:11])([H:7])[H:8],"InChI=1S/C3H5N3/c4-3-1-5-2-6-3/h2H,1H2,(H2,4,5,6)","InChI=1S/C3H5N3/c4-3-1-5-2-6-3/h1-2H,4H2,(H,5,6)",66.92569,-3.3674199999999996,
5277,[N:1](=[C:2]1\[C:3]([H:8])([H:9])[N:4]=[C:5]([H:10])[N:6]1[H:11])\[H:7],[C:3](=[N+:4]=[C-:5][H:10])([H:8])[H:9].[N:1](=[C:2]=[N:6][H:11])[H:7],"InChI=1S/C3H5N3/c4-3-1-5-2-6-3/h2H,1H2,(H2,4,5,6)","InChI=1S/C2H3N.CH2N2/c1-3-2;2-1-3/h1H,2H2;2-3H",74.07335,61.13075,
5278,[N:1](=[C:2]1\[C:3]([H:8])([H:9])[N:4]=[C:5]([H:10])[N:6]1[H:11])\[H:7],[N:1](=[C:2]1[C:3]([H:8])=[N:4][C-:5]([H:10])[N+:6]1([H:9])[H:11])[H:7],"InChI=1S/C3H5N3/c4-3-1-5-2-6-3/h2H,1H2,(H2,4,5,6)","InChI=1S/C3H5N3/c4-3-1-5-2-6-3/h1-2,4H,6H2",71.44659,46.592009999999995,
5279,[N:1](=[C:2]1\[C:3]([H:8])([H:9])[N:4]=[C:5]([H:10])[N:6]1[H:11])\[H:7],[N:1]([C:2]1=[N:6][C:5]([H:10])=[N:4][C:3]1([H:8])[H:9])([H:7])[H:11],"InChI=1S/C3H5N3/c4-3-1-5-2-6-3/h2H,1H2,(H2,4,5,6)","InChI=1S/C3H5N3/c4-3-1-5-2-6-3/h2H,1H2,(H2,4,5,6)",44.68752,-1.0451700000000002,
5280,[N:1](=[C:2]1\[C:3]([H:8])([H:9])[N:4]=[C:5]([H:10])[N:6]1[H:11])\[H:7],[N:1]1([H:7])[C:2]([C:3]([N:4]=[C:5]([H:10])[H:11])([H:8])[H:9])=[N:6]1,"InChI=1S/C3H5N3/c4-3-1-5-2-6-3/h2H,1H2,(H2,4,5,6)","InChI=1S/C3H5N3/c1-4-2-3-5-6-3/h1-2H2,(H,5,6)",90.97374,79.59951,
5281,[N:1](=[C:2]1\[C:3]([H:8])([H:9])[N:4]=[C:5]([H:10])[N:6]1[H:11])\[H:7],[N:1]1([H:7])[C-:2]=[N+:6]([H:11])[C:5]([H:10])=[N:4][C:3]1([H:8])[H:9],"InChI=1S/C3H5N3/c4-3-1-5-2-6-3/h2H,1H2,(H2,4,5,6)","InChI=1S/C3H5N3/c1-4-2-6-3-5-1/h1,5-6H,2H2",63.34486999999999,34.954229999999995,
5282,[O:1]([c:2]1[n:3][n:4]([H:8])[n:5][n:6]1)[H:7],[N:5]#[N:6].[O:1]([C:2]#[N+:3][N-:4][H:8])[H:7],"InChI=1S/CH2N4O/c6-1-2-4-5-3-1/h(H2,2,3,4,5,6)","InChI=1S/CH2N2O.N2/c2-3-1-4;1-2/h2,4H;",30.09522,9.84304,
5283,[O:1]([c:2]1[n:3][n:4]([H:8])[n:5][n:6]1)[H:7],[O:1]=[c:2]1[n:3]([H:7])[n:4]([H:8])[n:5][n:6]1,"InChI=1S/CH2N4O/c6-1-2-4-5-3-1/h(H2,2,3,4,5,6)","InChI=1S/CH2N4O/c6-1-2-4-5-3-1/h(H2,2,3,4,5,6)",51.48955,13.03433,ketoenol
5284,[O:1]([c:2]1[n:3][n:4]([H:8])[n:5][n:6]1)[H:7],[N:4](=[N+:5]=[N-:6])[H:8].[O:1]([C:2]#[N:3])[H:7],"InChI=1S/CH2N4O/c6-1-2-4-5-3-1/h(H2,2,3,4,5,6)",InChI=1S/CHNO.HN3/c2-1-3;1-3-2/h3H;1H,52.61565,27.00528,
5285,[O:1]([c:2]1[n:3][n:4]([H:8])[n:5][n:6]1)[H:7],[N:4](=[N:5])[H:8].[O:1]([N:6][C:2]#[N:3])[H:7],"InChI=1S/CH2N4O/c6-1-2-4-5-3-1/h(H2,2,3,4,5,6)",InChI=1S/CHN2O.HN2/c2-1-3-4;1-2/h4H;1H,118.2542,81.14394,
5286,[O:1]([c:2]1[n:3][n:4]([H:8])[n:5][n:6]1)[H:7],[O:1]([c:2]1[n:3]([H:8])[n:4][n:5][n:6]1)[H:7],"InChI=1S/CH2N4O/c6-1-2-4-5-3-1/h(H2,2,3,4,5,6)","InChI=1S/CH2N4O/c6-1-2-4-5-3-1/h(H2,2,3,4,5,6)",49.20856,7.389660000000001,
5287,[O:1]([c:2]1[n:3][n:4]([H:8])[n:5][n:6]1)[H:7],[O:1]([N:3]=[C:2]=[N:6][N:5]=[N:4][H:8])[H:7],"InChI=1S/CH2N4O/c6-1-2-4-5-3-1/h(H2,2,3,4,5,6)","InChI=1S/CH2N4O/c2-5-3-1-4-6/h2,6H",102.92352,71.59764,
5288,[O:1]([c:2]1[n:3][n:4]([H:8])[n:5][n:6]1)[H:7],[O-:1][c:2]1[n:3][n:4]([H:8])[n:5][n+:6]1[H:7],"InChI=1S/CH2N4O/c6-1-2-4-5-3-1/h(H2,2,3,4,5,6)","InChI=1S/CH2N4O/c6-1-2-4-5-3-1/h(H2,2,3,4,5,6)",43.243759999999995,5.36546,ketoenol
5289,[O:1]([c:2]1[n:3][n:4]([H:8])[n:5][n:6]1)[H:7],[O:1]([C:2]([N+:3]#[N:4])=[N:6][N-:5][H:8])[H:7],"InChI=1S/CH2N4O/c6-1-2-4-5-3-1/h(H2,2,3,4,5,6)",InChI=1S/CH2N4O/c2-4-1(6)5-3/h2-3H,36.56501,16.39095,
5290,[C:1]([C:2]([O:3][C:4]1([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:10])[H:11])([H:7])([H:8])[H:9],[C-:2](=[O+:3][C:4]1([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])[H:11].[C:1]([H:7])([H:8])([H:9])[H:10],"InChI=1S/C5H10O/c1-2-6-5-3-4-5/h5H,2-4H2,1H3","InChI=1S/C4H6O.CH4/c1-5-4-2-3-4;/h1,4H,2-3H2;1H4",74.7308,65.5313,
5291,[C:1]([C:2]([O:3][C:4]1([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([O:3]/[C:4](=[C:6](/[C:5]([H:13])([H:14])[H:15])[H:16])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-2-6-5-3-4-5/h5H,2-4H2,1H3","InChI=1S/C5H10O/c1-3-5-6-4-2/h3,5H,4H2,1-2H3/b5-3+",66.95609,-11.4338,
5292,[C:1]([C:2]([O:3][C:4]1([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]([H:10])[H:11])([H:7])[H:9].[O:3]1[C:4]([H:8])([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16],"InChI=1S/C5H10O/c1-2-6-5-3-4-5/h5H,2-4H2,1H3",InChI=1S/C3H6O.C2H4/c1-2-4-3-1;1-2/h1-3H2;1-2H2,74.93359,21.96154,
5293,[C:1]([C:2]([O:3][C:4]1([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([O:3][C@@:4]([C:5][H:14])([C:6]([H:13])([H:15])[H:16])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-2-6-5-3-4-5/h5H,2-4H2,1H3","InChI=1S/C5H10O/c1-4-6-5(2)3/h2,5H,4H2,1,3H3/t5-/m0/s1",67.34706,72.64803,
5294,[C:1]([C:2]([O:3][C:4]1([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([O:3][C:4]([C:5]([C:6][H:15])([H:13])[H:14])([H:12])[H:16])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-2-6-5-3-4-5/h5H,2-4H2,1H3","InChI=1S/C5H10O/c1-3-5-6-4-2/h1H,3-5H2,2H3",73.66225,80.20922,
5295,[C:1]([C:2]([O:3][C:4]1([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](=[O:3])[H:11])([H:7])([H:8])[H:9].[C:4]([C:5]([H:10])([H:13])[H:14])(=[C:6]([H:15])[H:16])[H:12],"InChI=1S/C5H10O/c1-2-6-5-3-4-5/h5H,2-4H2,1H3","InChI=1S/C3H6.C2H4O/c1-3-2;1-2-3/h3H,1H2,2H3;2H,1H3",56.336380000000005,-7.5549,
5296,[C:1]([C:2]([O:3][C:4]1([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])[H:9].[C:2]([O:3][C:4]1[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:10])([H:11])[H:12],"InChI=1S/C5H10O/c1-2-6-5-3-4-5/h5H,2-4H2,1H3","InChI=1S/C4H7O.CH3/c1-5-4-2-3-4;/h2-3H2,1H3;1H3",119.99700000000001,94.28875,
5297,[C:1]([C:2]([O:3][C:4]1([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:3][C:2]([C:4]1([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-2-6-5-3-4-5/h5H,2-4H2,1H3","InChI=1S/C5H10O/c1-6-4-5-2-3-5/h5H,2-4H2,1H3",121.52711000000001,3.0124299999999997,
5298,[C:1]([C:2]([O:3][C:4]1([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([O:3][H:16])([H:10])[H:11])([H:7])([H:8])[H:9].[C:4]1([H:12])=[C:6]([H:15])[C:5]1([H:13])[H:14],"InChI=1S/C5H10O/c1-2-6-5-3-4-5/h5H,2-4H2,1H3","InChI=1S/C3H4.C2H6O/c1-2-3-1;1-2-3/h1-2H,3H2;3H,2H2,1H3",73.75601,37.850570000000005,
5299,[C:1]([C:2]([O:3][C:4]1([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([O+:3]=[C-:4][C:6]([C:5]([H:12])([H:13])[H:14])([H:15])[H:16])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-2-6-5-3-4-5/h5H,2-4H2,1H3","InChI=1S/C5H10O/c1-3-5-6-4-2/h3-4H2,1-2H3",51.9462,32.822379999999995,
5300,[C:1]([C:2]([O:3][C:4]1([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](=[O+:3][C:4]([C:5]([C-:6]([H:15])[H:16])([H:13])[H:14])([H:10])[H:12])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-2-6-5-3-4-5/h5H,2-4H2,1H3","InChI=1S/C5H10O/c1-3-5-6-4-2/h4H,1,3,5H2,2H3",78.44974,65.87952,
5301,[C:1]([C:2]([O:3][C:4]1([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:4](=[O:3])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9].[C:5](=[C:6]([H:15])[H:16])([H:13])[H:14],"InChI=1S/C5H10O/c1-2-6-5-3-4-5/h5H,2-4H2,1H3","InChI=1S/C3H6O.C2H4/c1-2-3-4;1-2/h3H,2H2,1H3;1-2H2",84.65343,-4.7876,
5302,[C:1]([C:2]([O:3][C:4]1([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([O:3][C:6]([C:4](=[C:5]([H:13])[H:14])[H:12])([H:15])[H:16])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-2-6-5-3-4-5/h5H,2-4H2,1H3","InChI=1S/C5H10O/c1-3-5-6-4-2/h3H,1,4-5H2,2H3",62.546409999999995,-3.86994,
5303,[C:1]([C:2]([O:3][C:4]1([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C-:2]([O+:3]=[C:4]([C:6]([C:5]([H:10])([H:13])[H:14])([H:15])[H:16])[H:12])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-2-6-5-3-4-5/h5H,2-4H2,1H3","InChI=1S/C5H10O/c1-3-5-6-4-2/h4-5H,3H2,1-2H3",63.35136,30.76731,
5304,[C:1]([C:2]([C:3]([H:9])([H:10])[H:11])([C:4]([H:12])([H:13])[H:14])[H:8])([H:5])([H:6])[H:7],[C:1]([C:2][C:4]([H:12])([H:13])[H:14])([H:5])([H:6])[H:7].[C:3]([H:8])([H:9])([H:10])[H:11],"InChI=1S/C4H10/c1-4(2)3/h4H,1-3H3",InChI=1S/C3H6.CH4/c1-3-2;/h1-2H3;1H4,84.47341999999999,90.88486999999999,
5305,[C:1]([C:2]1([C:5]#[N:6])[C:3]([H:10])([H:11])[C:4]1([H:12])[H:13])([H:7])([H:8])[H:9],[C:1]([C:2][C:4]([C:3]([C:5]#[N:6])([H:10])[H:11])([H:12])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-5(4-6)2-3-5/h2-3H2,1H3","InChI=1S/C5H7N/c1-2-3-4-5-6/h3-4H2,1H3",72.18477,73.76326,
5306,[C:1]([C:2]1([C:5]#[N:6])[C:3]([H:10])([H:11])[C:4]1([H:12])[H:13])([H:7])([H:8])[H:9],[C:1]([C:2]1([N+:6]#[C-:5])[C:3]([H:10])([H:11])[C:4]1([H:12])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-5(4-6)2-3-5/h2-3H2,1H3","InChI=1S/C5H7N/c1-5(6-2)3-4-5/h3-4H2,1H3",60.14728,25.79176,
5307,[C:1]([C:2]1([C:5]#[N:6])[C:3]([H:10])([H:11])[C:4]1([H:12])[H:13])([H:7])([H:8])[H:9],[C:1]([C:2]1=[C:5]=[N:6][C:3]([H:10])([H:11])[C:4]1([H:12])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-5(4-6)2-3-5/h2-3H2,1H3","InChI=1S/C5H7N/c1-5-2-3-6-4-5/h2-3H2,1H3",79.05518000000001,63.491080000000004,
5308,[C:1]([C:2]1([C:5]#[N:6])[C:3]([H:10])([H:11])[C:4]1([H:12])[H:13])([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:12].[C:2]1([C:5]#[N:6])=[C:4]([H:13])[C:3]1([H:10])[H:11],"InChI=1S/C5H7N/c1-5(4-6)2-3-5/h2-3H2,1H3","InChI=1S/C4H3N.CH4/c5-3-4-1-2-4;/h1H,2H2;1H4",118.62821000000001,41.23761,
5309,[C:1]([C:2]1([C:5]#[N:6])[C:3]([H:10])([H:11])[C:4]1([H:12])[H:13])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([C+:5]=[N:6][H:10])[C-:3]([H:11])[C:4]1([H:12])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-5(4-6)2-3-5/h2-3H2,1H3","InChI=1S/C5H7N/c1-5(4-6)2-3-5/h2,6H,3H2,1H3/t5-/m1/s1",117.58995,77.63512,
5310,[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([O:4][H:13])[C:5]#[C:6][H:14])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])=[C:5]=[C:6]([O:4][H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-4-5(2,3)6/h1,6H,2-3H3","InChI=1S/C5H8O/c1-5(2)3-4-6/h4,6H,1-2H3",55.007509999999996,-6.04429,
5311,[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([O:4][H:13])[C:5]#[C:6][H:14])([H:7])([H:8])[H:9],[C:1]([C:6](=[C:5]=[C:2]([C:3]([H:10])([H:11])[H:12])[O:4][H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-4-5(2,3)6/h1,6H,2-3H3","InChI=1S/C5H8O/c1-3-4-5(2)6/h3,6H,1-2H3",68.30412,-10.9037,
5312,[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([O:4][H:13])[C:5]#[C:6][H:14])([H:7])([H:8])[H:9],[C:1]([C:2]1([C:3]([H:10])([H:11])[H:12])[C:5]([O:4][H:13])=[C:6]1[H:14])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-4-5(2,3)6/h1,6H,2-3H3","InChI=1S/C5H8O/c1-5(2)3-4(5)6/h3,6H,1-2H3",64.11303000000001,10.66103,
5313,[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([O:4][H:13])[C:5]#[C:6][H:14])([H:7])([H:8])[H:9],[C:1](=[C:2]([C:3]([H:10])([H:11])[H:12])[C:5]#[C:6][H:14])([H:7])[H:8].[O:4]([H:9])[H:13],"InChI=1S/C5H8O/c1-4-5(2,3)6/h1,6H,2-3H3","InChI=1S/C5H6.H2O/c1-4-5(2)3;/h1H,2H2,3H3;1H2",55.179840000000006,9.33873,"1,3_Insertion_ROR"
5314,[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([O:4][H:13])[C:5]#[C:6][H:14])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([O:4][H:13])[C:6](=[C:5])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-4-5(2,3)6/h1,6H,2-3H3","InChI=1S/C5H8O/c1-4-5(2,3)6/h4,6H,2-3H3",57.9562,50.54741,Singlet_Carbene_Intra_Disproportionation
5315,[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([O:4][H:13])[C:5]#[C:6][H:14])([H:7])([H:8])[H:9],[C:1](/[C:5](=[C:2](\[C:3]([H:10])([H:11])[H:12])[O:4][H:13])[C:6][H:14])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-4-5(2,3)6/h1,6H,2-3H3","InChI=1S/C5H8O/c1-4(2)5(3)6/h1,6H,2-3H3/b5-4+",65.51429,37.736340000000006,
5316,[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([O:4][H:13])[C:5]#[C:6][H:14])([H:7])([H:8])[H:9],[C:1]([C:2]1([C:3]([H:10])([H:11])[H:12])[O:4][C:6]([H:13])([H:14])[C:5]1)([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-4-5(2,3)6/h1,6H,2-3H3","InChI=1S/C5H8O/c1-5(2)3-4-6-5/h4H2,1-2H3",87.21514,68.64053,
5317,[O:1]([c:2]1[c:3]([H:8])[n:4]([H:9])[c:5]([H:10])[c:6]1[H:11])[H:7],[O:1]([C@:2]1([H:11])[C+:3]([H:8])[N:4]([H:9])[C:5]([H:10])=[C-:6]1)[H:7],"InChI=1S/C4H5NO/c6-4-1-2-5-3-4/h1-3,5-6H",InChI=1S/C4H5NO/c6-4-1-2-5-3-4/h2-6H/t4-/m0/s1,76.84105,81.23227,
5318,[O:1]([c:2]1[c:3]([H:8])[n:4]([H:9])[c:5]([H:10])[c:6]1[H:11])[H:7],[O:1]([C:2]1=[C:3]([H:8])[N+:4]([H:9])([H:10])[C-:5]=[C:6]1[H:11])[H:7],"InChI=1S/C4H5NO/c6-4-1-2-5-3-4/h1-3,5-6H","InChI=1S/C4H5NO/c6-4-1-2-5-3-4/h1,3,6H,5H2",80.93279,71.35709,
5319,[O:1]([c:2]1[c:3]([H:8])[n:4]([H:9])[c:5]([H:10])[c:6]1[H:11])[H:7],[O:1]([C:2]1=[C:3]([H:8])[N:4]([H:9])[C:5][C:6]1([H:10])[H:11])[H:7],"InChI=1S/C4H5NO/c6-4-1-2-5-3-4/h1-3,5-6H","InChI=1S/C4H5NO/c6-4-1-2-5-3-4/h3,5-6H,1H2",62.21898,53.84851,Singlet_Carbene_Intra_Disproportionation
5320,[O:1]([c:2]1[c:3]([H:8])[n:4]([H:9])[c:5]([H:10])[c:6]1[H:11])[H:7],[O:1]([C:2]1=[C:6]([H:11])[C:5]([H:9])([H:10])[N:4]=[C:3]1[H:8])[H:7],"InChI=1S/C4H5NO/c6-4-1-2-5-3-4/h1-3,5-6H","InChI=1S/C4H5NO/c6-4-1-2-5-3-4/h1,3,6H,2H2",39.97781,9.68271,
5321,[O:1]([c:2]1[c:3]([H:8])[n:4]([H:9])[c:5]([H:10])[c:6]1[H:11])[H:7],[O:1]=[C:2]1[C:3]([H:7])([H:8])[N:4]([H:9])[C:5]([H:10])=[C:6]1[H:11],"InChI=1S/C4H5NO/c6-4-1-2-5-3-4/h1-3,5-6H","InChI=1S/C4H5NO/c6-4-1-2-5-3-4/h1-2,5H,3H2",54.14271,-0.57887,ketoenol
5322,[O:1]([c:2]1[c:3]([H:8])[n:4]([H:9])[c:5]([H:10])[c:6]1[H:11])[H:7],[O:1]([C:2]1=[C:6]=[C:5]([H:10])[N:4]([H:9])[C:3]1([H:8])[H:11])[H:7],"InChI=1S/C4H5NO/c6-4-1-2-5-3-4/h1-3,5-6H","InChI=1S/C4H5NO/c6-4-1-2-5-3-4/h2,5-6H,3H2",82.95529,49.51672,
5323,[O:1]([c:2]1[c:3]([H:8])[n:4]([H:9])[c:5]([H:10])[c:6]1[H:11])[H:7],[O:1]([C:2]1=[C-:6][C:5]([H:10])([H:11])[N:4]([H:9])[C+:3]1[H:8])[H:7],"InChI=1S/C4H5NO/c6-4-1-2-5-3-4/h1-3,5-6H","InChI=1S/C4H5NO/c6-4-1-2-5-3-4/h3,5-6H,2H2",65.7198,60.61725,Singlet_Carbene_Intra_Disproportionation
5324,[O:1]([c:2]1[c:3]([H:8])[n:4]([H:9])[c:5]([H:10])[c:6]1[H:11])[H:7],[O-:1][C:2]1=[C:3]([H:8])[N:4]([H:9])[C+:5]([H:10])[C:6]1([H:7])[H:11],"InChI=1S/C4H5NO/c6-4-1-2-5-3-4/h1-3,5-6H","InChI=1S/C4H5NO/c6-4-1-2-5-3-4/h2-3,5H,1H2",63.78061999999999,22.83951,
5325,[O:1]([c:2]1[c:3]([H:8])[n:4]([H:9])[c:5]([H:10])[c:6]1[H:11])[H:7],[O:1]([C@@:3]1([H:8])[C-:2]=[C:6]([H:11])[C+:5]([H:10])[N:4]1[H:9])[H:7],"InChI=1S/C4H5NO/c6-4-1-2-5-3-4/h1-3,5-6H","InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h1,3-6H/t4-/m0/s1",87.92951,67.41513,
5326,[O:1]([c:2]1[c:3]([H:8])[n:4]([H:9])[c:5]([H:10])[c:6]1[H:11])[H:7],[O:1]([C:2]1=[C:6]([H:11])[C:5]([H:10])=[N:4][C:3]1([H:8])[H:9])[H:7],"InChI=1S/C4H5NO/c6-4-1-2-5-3-4/h1-3,5-6H","InChI=1S/C4H5NO/c6-4-1-2-5-3-4/h1-2,6H,3H2",40.99358,7.81785,
5327,[O:1]([c:2]1[c:3]([H:8])[n:4]([H:9])[c:5]([H:10])[c:6]1[H:11])[H:7],[O:1]([C:2]1=[C:3]([H:8])[C@@:6]1(/[C:5](=[N:4]/[H:9])[H:10])[H:11])[H:7],"InChI=1S/C4H5NO/c6-4-1-2-5-3-4/h1-3,5-6H","InChI=1S/C4H5NO/c5-2-3-1-4(3)6/h1-3,5-6H/b5-2+/t3-/m1/s1",85.16816,56.266130000000004,
5328,[O:1]([c:2]1[c:3]([H:8])[n:4]([H:9])[c:5]([H:10])[c:6]1[H:11])[H:7],[O:1]([C:2]1=[C-:3][N+:4]([H:8])([H:9])[C:5]([H:10])=[C:6]1[H:11])[H:7],"InChI=1S/C4H5NO/c6-4-1-2-5-3-4/h1-3,5-6H","InChI=1S/C4H5NO/c6-4-1-2-5-3-4/h1-2,6H,5H2",80.445,73.27757,
5329,[O:1]([c:2]1[c:3]([H:8])[n:4]([H:9])[c:5]([H:10])[c:6]1[H:11])[H:7],[O:1]([C@:2]1([H:8])[C:3][N:4]([H:9])[C:5]([H:10])=[C:6]1[H:11])[H:7],"InChI=1S/C4H5NO/c6-4-1-2-5-3-4/h1-3,5-6H","InChI=1S/C4H5NO/c6-4-1-2-5-3-4/h1-2,4-6H/t4-/m0/s1",60.16568,61.1325,Singlet_Carbene_Intra_Disproportionation
5330,[O:1]([c:2]1[c:3]([H:8])[n:4]([H:9])[c:5]([H:10])[c:6]1[H:11])[H:7],[O:1]([C:3](=[C:2]=[C:6](/[C:5](=[N:4]/[H:9])[H:10])[H:11])[H:8])[H:7],"InChI=1S/C4H5NO/c6-4-1-2-5-3-4/h1-3,5-6H","InChI=1S/C4H5NO/c5-3-1-2-4-6/h1,3-6H/b5-3+",102.00326,38.55557,
5331,[O:1]([c:2]1[c:3]([H:8])[n:4]([H:9])[c:5]([H:10])[c:6]1[H:11])[H:7],[O:1]([C:2](/[C:3](=[N:4]/[H:9])[H:8])=[C:6]=[C:5]([H:10])[H:11])[H:7],"InChI=1S/C4H5NO/c6-4-1-2-5-3-4/h1-3,5-6H","InChI=1S/C4H5NO/c1-2-4(6)3-5/h3,5-6H,1H2/b5-3+",65.7395,36.79781,
5332,[O:1]([c:2]1[c:3]([H:8])[n:4]([H:9])[c:5]([H:10])[c:6]1[H:11])[H:7],[O:1]([C@:2]1([H:9])[C:3]([H:8])=[N:4][C:5]([H:10])=[C:6]1[H:11])[H:7],"InChI=1S/C4H5NO/c6-4-1-2-5-3-4/h1-3,5-6H","InChI=1S/C4H5NO/c6-4-1-2-5-3-4/h1-4,6H/t4-/m0/s1",41.01413,22.57263,
5333,[O:1]([c:2]1[c:3]([H:8])[n:4]([H:9])[c:5]([H:10])[c:6]1[H:11])[H:7],[O:1](/[C:2](=[C:3]([N+:4](=[C:5](\[C-:6])[H:10])/[H:9])\[H:8])[H:11])[H:7],"InChI=1S/C4H5NO/c6-4-1-2-5-3-4/h1-3,5-6H","InChI=1S/C4H4NO/c1-2-5-3-4-6/h2-4,6H/q-1/p+1/b4-3+,5-2-",96.30376,105.79563999999999,
5334,[C:1]([C@@:2]1([C:5]#[C:6][H:12])[C:3]([H:10])([H:11])[O:4]1)([H:7])([H:8])[H:9],[C:1]([C:2](=[O+:4][C-:3]([H:10])[H:11])[C:5]#[C:6][H:12])([H:7])([H:8])[H:9],"InChI=1S/C5H6O/c1-3-5(2)4-6-5/h1H,4H2,2H3/t5-/m1/s1","InChI=1S/C5H6O/c1-4-5(2)6-3/h1H,3H2,2H3",42.92177,29.481,
5335,[C:1]([C@@:2]1([C:5]#[C:6][H:12])[C:3]([H:10])([H:11])[O:4]1)([H:7])([H:8])[H:9],[C:1]([C@@:2]1([C:6](=[C:5])[H:12])[C:3]([H:10])([H:11])[O:4]1)([H:7])([H:8])[H:9],"InChI=1S/C5H6O/c1-3-5(2)4-6-5/h1H,4H2,2H3/t5-/m1/s1","InChI=1S/C5H6O/c1-3-5(2)4-6-5/h3H,4H2,2H3/t5-/m1/s1",55.41423,50.276559999999996,Singlet_Carbene_Intra_Disproportionation
5336,[C:1]([C@@:2]1([C:5]#[C:6][H:12])[C:3]([H:10])([H:11])[O:4]1)([H:7])([H:8])[H:9],[C:1]1([H:8])([H:9])[C@:2]2([C:3]([H:10])([H:11])[O:4]2)[C:5][C:6]1([H:7])[H:12],"InChI=1S/C5H6O/c1-3-5(2)4-6-5/h1H,4H2,2H3/t5-/m1/s1","InChI=1S/C5H6O/c1-2-5(3-1)4-6-5/h1-2,4H2/t5-/m1/s1",89.18131,64.46555,
5337,[C:1]([C@@:2]1([C:5]#[C:6][H:12])[C:3]([H:10])([H:11])[O:4]1)([H:7])([H:8])[H:9],[C@@:1]12([H:7])[C@:2]3([C:3]([H:10])([H:11])[O:4]3)[C:5]1=[C:6]2[H:12].[H:8][H:9],"InChI=1S/C5H6O/c1-3-5(2)4-6-5/h1H,4H2,2H3/t5-/m1/s1","InChI=1S/C5H4O.H2/c1-3-4(1)5(3)2-6-5;/h1,3H,2H2;1H/t3-,5+;/m0./s1",114.77135,71.82767,
5338,[C:1]([C@@:2]1([C:5]#[C:6][H:12])[C:3]([H:10])([H:11])[O:4]1)([H:7])([H:8])[H:9],[C:1]([C@@:2]([C:3][H:11])([O:4][H:10])[C:5]#[C:6][H:12])([H:7])([H:8])[H:9],"InChI=1S/C5H6O/c1-3-5(2)4-6-5/h1H,4H2,2H3/t5-/m1/s1","InChI=1S/C5H6O/c1-4-5(2,3)6/h1-2,6H,3H3/t5-/m1/s1",69.57866999999999,67.01069,
5339,[C:1]([C@@:2]1([C:5]#[C:6][H:12])[C:3]([H:10])([H:11])[O:4]1)([H:7])([H:8])[H:9],[C:1]([C:2]1=[C:5]=[C:6]([H:12])[O:4][C:3]1([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H6O/c1-3-5(2)4-6-5/h1H,4H2,2H3/t5-/m1/s1","InChI=1S/C5H6O/c1-5-2-3-6-4-5/h3H,4H2,1H3",52.298140000000004,6.720860000000001,
5340,[C:1]([C@@:2]1([C:5]#[C:6][H:12])[C:3]([H:10])([H:11])[O:4]1)([H:7])([H:8])[H:9],[C:1]([C@@:2]([O+:4]=[C-:3][H:11])([C:5]#[C:6][H:12])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H6O/c1-3-5(2)4-6-5/h1H,4H2,2H3/t5-/m1/s1","InChI=1S/C5H6O/c1-4-5(2)6-3/h1,3,5H,2H3/t5-/m1/s1",76.8795,48.4222,
5341,[C:1]([C@@:2]1([C:5]#[C:6][H:12])[C:3]([H:10])([H:11])[O:4]1)([H:7])([H:8])[H:9],[C:1](/[C:5](=[C:2]1\[C:3]([H:10])([H:11])[O:4]1)[C:6][H:12])([H:7])([H:8])[H:9],"InChI=1S/C5H6O/c1-3-5(2)4-6-5/h1H,4H2,2H3/t5-/m1/s1","InChI=1S/C5H6O/c1-4(2)5-3-6-5/h1H,3H2,2H3/b5-4+",78.20040999999999,57.12274,
5342,[C:1]([C@@:2]1([C:5]#[C:6][H:12])[C:3]([H:10])([H:11])[O:4]1)([H:7])([H:8])[H:9],[C:1]([C:6](=[C:5]=[C:2]1[C:3]([H:10])([H:11])[O:4]1)[H:12])([H:7])([H:8])[H:9],"InChI=1S/C5H6O/c1-3-5(2)4-6-5/h1H,4H2,2H3/t5-/m1/s1","InChI=1S/C5H6O/c1-2-3-5-4-6-5/h2H,4H2,1H3",82.1041,1.7673299999999998,
5343,[C:1]([C@@:2]1([C:5]#[C:6][H:12])[C:3]([H:10])([H:11])[O:4]1)([H:7])([H:8])[H:9],[C:1]([O:4][C:3]([C-:2]=[C:5]=[C+:6][H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H6O/c1-3-5(2)4-6-5/h1H,4H2,2H3/t5-/m1/s1","InChI=1S/C5H6O/c1-3-4-5-6-2/h1H,5H2,2H3",91.63474000000001,58.3058,
5344,[N:1]([c:2]1[c:3]([H:9])[n:4][c:5]([H:10])[o:6]1)([H:7])[H:8],[N:1]([C+:2]([C:3](=[N-:4])[H:9])[C:5](=[O:6])[H:10])([H:7])[H:8],"InChI=1S/C3H4N2O/c4-3-1-5-2-6-3/h1-2H,4H2","InChI=1S/C3H4N2O/c4-1-3(5)2-6/h1-2H,5H2",58.45644,40.468090000000004,
5345,[N:1]([c:2]1[c:3]([H:9])[n:4][c:5]([H:10])[o:6]1)([H:7])[H:8],[N:1]([C:2]([C@:3]1([H:9])[N:4]=[C:5]1[H:10])=[O:6])([H:7])[H:8],"InChI=1S/C3H4N2O/c4-3-1-5-2-6-3/h1-2H,4H2","InChI=1S/C3H4N2O/c4-3(6)2-1-5-2/h1-2H,(H2,4,6)/t2-/m1/s1",70.41883,23.8801,ketoenol
5346,[N:1]([c:2]1[c:3]([H:9])[n:4][c:5]([H:10])[o:6]1)([H:7])[H:8],[N:1]([C@@:3]1([H:9])[C-:2]=[O+:6][C:5]([H:10])=[N:4]1)([H:7])[H:8],"InChI=1S/C3H4N2O/c4-3-1-5-2-6-3/h1-2H,4H2","InChI=1S/C3H4N2O/c4-3-1-6-2-5-3/h2-3H,4H2/t3-/m1/s1",77.08125,65.74428,
5347,[N:1]([c:2]1[c:3]([H:9])[n:4][c:5]([H:10])[o:6]1)([H:7])[H:8],[N:1](=[C:2]1/[C:3]([H:8])([H:9])[N:4]=[C:5]([H:10])[O:6]1)\[H:7],"InChI=1S/C3H4N2O/c4-3-1-5-2-6-3/h1-2H,4H2","InChI=1S/C3H4N2O/c4-3-1-5-2-6-3/h2,4H,1H2/b4-3-",69.22899,1.31976,
5348,[N:1]([c:2]1[c:3]([H:9])[n:4][c:5]([H:10])[o:6]1)([H:7])[H:8],[N:1]([C:2](=[C:3]([N+:4]#[C:5][H:10])[H:9])[O-:6])([H:7])[H:8],"InChI=1S/C3H4N2O/c4-3-1-5-2-6-3/h1-2H,4H2","InChI=1S/C3H4N2O/c1-5-2-3(4)6/h1-2H,4H2",26.30765,23.47045,
5349,[N:1]([c:2]1[c:3]([H:9])[n:4][c:5]([H:10])[o:6]1)([H:7])[H:8],[N:1](=[C:2]([C:3](=[N:4]\[C:5](=[O:6])[H:10])/[H:9])\[H:8])\[H:7],"InChI=1S/C3H4N2O/c4-3-1-5-2-6-3/h1-2H,4H2","InChI=1S/C3H4N2O/c4-1-2-5-3-6/h1-4H/b4-1+,5-2-",69.26869,15.301210000000001,
5350,[N:1]([c:2]1[c:3]([H:9])[n:4][c:5]([H:10])[o:6]1)([H:7])[H:8],[C:3](#[N:4])[H:9].[C:5](=[O:6])([H:8])[H:10].[N:1](=[C:2])[H:7],"InChI=1S/C3H4N2O/c4-3-1-5-2-6-3/h1-2H,4H2",InChI=1S/2CHN.CH2O/c3*1-2/h2H;1H;1H2,82.6267,65.89578,
5351,[N:1]([c:2]1[c:3]([H:9])[n:4][c:5]([H:10])[o:6]1)([H:7])[H:8],[N:1](=[C:2]1\[C:3]([H:9])=[N:4][C:5]([H:7])([H:10])[O:6]1)\[H:8],"InChI=1S/C3H4N2O/c4-3-1-5-2-6-3/h1-2H,4H2","InChI=1S/C3H4N2O/c4-3-1-5-2-6-3/h1,4H,2H2/b4-3+",87.85386,6.869,
5352,[N:1]([c:2]1[c:3]([H:9])[n:4][c:5]([H:10])[o:6]1)([H:7])[H:8],[N:1]([c:2]1[c-:3][n:4]([H:9])[c:5]([H:10])[o+:6]1)([H:7])[H:8],"InChI=1S/C3H4N2O/c4-3-1-5-2-6-3/h1-2H,4H2","InChI=1S/C3H4N2O/c4-3-1-5-2-6-3/h2,5H,4H2",84.14685,49.53716,
5353,[N:1]([c:2]1[c:3]([H:9])[n:4][c:5]([H:10])[o:6]1)([H:7])[H:8],[C:2](=[C+:3][H:9])=[N-:4].[N:1]([C:5](=[O:6])[H:10])([H:7])[H:8],"InChI=1S/C3H4N2O/c4-3-1-5-2-6-3/h1-2H,4H2","InChI=1S/C2HN.CH3NO/c1-2-3;2-1-3/h1H;1H,(H2,2,3)",123.6161,83.84258,
5354,[N:1]([c:2]1[c:3]([H:9])[n:4][c:5]([H:10])[o:6]1)([H:7])[H:8],[N:1]([c:2]1[c:3]([H:9])[n:4]([H:10])[c-:5][o+:6]1)([H:7])[H:8],"InChI=1S/C3H4N2O/c4-3-1-5-2-6-3/h1-2H,4H2","InChI=1S/C3H4N2O/c4-3-1-5-2-6-3/h1,5H,4H2",65.35108000000001,32.460679999999996,
5355,[N:1]([c:2]1[c:3]([H:9])[n:4][c:5]([H:10])[o:6]1)([H:7])[H:8],[N+:1]([C:2]1=[C:3]=[N:4][C-:5]([H:10])[O:6]1)([H:7])([H:8])[H:9],"InChI=1S/C3H4N2O/c4-3-1-5-2-6-3/h1-2H,4H2","InChI=1S/C3H3N2O/c4-3-1-5-2-6-3/h2H,4H2/q-1/p+1",88.50359,86.27149,
5356,[N:1]([c:2]1[c:3]([H:9])[n:4][c:5]([H:10])[o:6]1)([H:7])[H:8],[N:1]([C:2]/[C:3](=[N:4]\[C:5](=[O:6])[H:10])[H:9])([H:7])[H:8],"InChI=1S/C3H4N2O/c4-3-1-5-2-6-3/h1-2H,4H2","InChI=1S/C3H4N2O/c4-1-2-5-3-6/h2-3H,4H2/b5-2-",39.38344,46.03505,
5357,[N:1]([c:2]1[c:3]([H:9])[n:4][c:5]([H:10])[o:6]1)([H:7])[H:8],[N:1]([C:2](=[C+:3][H:9])[O-:6])([H:7])[H:8].[N:4]#[C:5][H:10],"InChI=1S/C3H4N2O/c4-3-1-5-2-6-3/h1-2H,4H2","InChI=1S/C2H3NO.CHN/c1-2(3)4;1-2/h1H,3H2;1H",83.65914000000001,83.17586999999999,
5358,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]1([C:5]([H:13])([H:14])[H:15])[O:6][H:16])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]([H:11])[H:12])[C:4](=[C:5]([H:13])[H:14])[O:6][H:16])([H:7])([H:8])[H:9].[H:10][H:15],"InChI=1S/C5H10O/c1-4-3-5(4,2)6/h4,6H,3H2,1-2H3/t4-,5-/m0/s1","InChI=1S/C5H8O.H2/c1-4(2)5(3)6;/h6H,1,3H2,2H3;1H",108.71476000000001,14.42935,
5359,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]1([C:5]([H:13])([H:14])[H:15])[O:6][H:16])([H:7])([H:8])[H:9],[C:1]([C@@:2]([C:3]([C:5]([H:13])([H:14])[H:15])([H:11])[H:12])([C:4][O:6][H:16])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-4-3-5(4,2)6/h4,6H,3H2,1-2H3/t4-,5-/m0/s1","InChI=1S/C5H10O/c1-3-5(2)4-6/h5-6H,3H2,1-2H3/t5-/m0/s1",81.05435,41.997640000000004,
5360,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]1([C:5]([H:13])([H:14])[H:15])[O:6][H:16])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]1=[O:6])([H:7])([H:8])[H:9].[C:5]([H:13])([H:14])([H:15])[H:16],"InChI=1S/C5H10O/c1-4-3-5(4,2)6/h4,6H,3H2,1-2H3/t4-,5-/m0/s1","InChI=1S/C4H6O.CH4/c1-3-2-4(3)5;/h3H,2H2,1H3;1H4/t3-;/m0./s1",83.37661999999999,17.19355,
5361,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]1([C:5]([H:13])([H:14])[H:15])[O:6][H:16])([H:7])([H:8])[H:9],[C:1]([C:2][C:3]([C@:4]([C:5]([H:13])([H:14])[H:15])([O:6][H:16])[H:10])([H:11])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-4-3-5(4,2)6/h4,6H,3H2,1-2H3/t4-,5-/m0/s1","InChI=1S/C5H10O/c1-3-4-5(2)6/h5-6H,4H2,1-2H3/t5-/m0/s1",68.05375,72.74547,
5362,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]1([C:5]([H:13])([H:14])[H:15])[O:6][H:16])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:11])=[C:4]1[O:6][H:16])([H:7])([H:8])[H:9].[C:5]([H:12])([H:13])([H:14])[H:15],"InChI=1S/C5H10O/c1-4-3-5(4,2)6/h4,6H,3H2,1-2H3/t4-,5-/m0/s1","InChI=1S/C4H6O.CH4/c1-3-2-4(3)5;/h2-3,5H,1H3;1H4/t3-;/m0./s1",110.82727,37.209140000000005,
5363,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]1([C:5]([H:13])([H:14])[H:15])[O:6][H:16])([H:7])([H:8])[H:9],[C:1]([C:2][C:4]([C:3]([H:10])([H:11])[H:12])([C:5]([H:13])([H:14])[H:15])[O:6][H:16])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-4-3-5(4,2)6/h4,6H,3H2,1-2H3/t4-,5-/m0/s1","InChI=1S/C5H10O/c1-4-5(2,3)6/h6H,1-3H3",61.6397,62.77681,
5364,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]1([C:5]([H:13])([H:14])[H:15])[O:6][H:16])([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:12].[C:2]1([H:10])=[C:3]([H:11])[C:4]1([C:5]([H:13])([H:14])[H:15])[O:6][H:16],"InChI=1S/C5H10O/c1-4-3-5(4,2)6/h4,6H,3H2,1-2H3/t4-,5-/m0/s1","InChI=1S/C4H6O.CH4/c1-4(5)2-3-4;/h2-3,5H,1H3;1H4",113.92526000000001,37.86261,
5365,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]1([C:5]([H:13])([H:14])[H:15])[O:6][H:16])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])=[C:4]([C:5]([H:13])([H:14])[H:15])[O:6][H:16])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-4-3-5(4,2)6/h4,6H,3H2,1-2H3/t4-,5-/m0/s1","InChI=1S/C5H10O/c1-4(2)5(3)6/h6H,1-3H3",61.6537,-14.12149,
5366,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]1([C:5]([H:13])([H:14])[H:15])[O:6][H:16])([H:7])([H:8])[H:9],[C:1]([C:2]1=[C:4]([C:5]([H:13])([H:14])[H:15])[C:3]1([H:11])[H:12])([H:7])([H:8])[H:9].[O:6]([H:10])[H:16],"InChI=1S/C5H10O/c1-4-3-5(4,2)6/h4,6H,3H2,1-2H3/t4-,5-/m0/s1","InChI=1S/C5H8.H2O/c1-4-3-5(4)2;/h3H2,1-2H3;1H2",70.47546,29.213490000000004,
5367,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]1([C:5]([H:13])([H:14])[H:15])[O:6][H:16])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:12])=[C:4]1[C:5]([H:13])([H:14])[H:15])([H:7])([H:8])[H:9].[O:6]([H:11])[H:16],"InChI=1S/C5H10O/c1-4-3-5(4,2)6/h4,6H,3H2,1-2H3/t4-,5-/m0/s1","InChI=1S/C5H8.H2O/c1-4-3-5(4)2;/h3-4H,1-2H3;1H2/t4-;/m0./s1",69.97995,32.96475,
5368,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]1([C:5]([H:13])([H:14])[H:15])[O:6][H:16])([H:7])([H:8])[H:9],[C:1]([C:2](/[C:3](=[C:4](\[C:5]([H:13])([H:14])[H:15])[O:6][H:16])[H:11])([H:10])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-4-3-5(4,2)6/h4,6H,3H2,1-2H3/t4-,5-/m0/s1","InChI=1S/C5H10O/c1-3-4-5(2)6/h4,6H,3H2,1-2H3/b5-4+",67.62139,-10.62157,
5369,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]1([C:5]([H:13])([H:14])[H:15])[O:6][H:16])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]1)([H:7])([H:8])[H:9].[C:5]([O:6][H:16])([H:13])([H:14])[H:15],"InChI=1S/C5H10O/c1-4-3-5(4,2)6/h4,6H,3H2,1-2H3/t4-,5-/m0/s1","InChI=1S/C4H6.CH4O/c1-4-2-3-4;1-2/h4H,2H2,1H3;2H,1H3/t4-;/m0./s1",113.40848000000001,103.28829,
5370,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]1([C:5]([H:13])([H:14])[H:15])[O:6][H:16])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]([H:11])[H:12])[H:10])([H:7])([H:8])[H:9].[C:4]([C:5]([H:13])([H:14])[H:15])[O:6][H:16],"InChI=1S/C5H10O/c1-4-3-5(4,2)6/h4,6H,3H2,1-2H3/t4-,5-/m0/s1","InChI=1S/C3H6.C2H4O/c1-3-2;1-2-3/h3H,1H2,2H3;3H,1H3",52.49658,60.961209999999994,
5371,[O:1]([C:2]([C:3]([C:4]([C:5](=[O:6])[H:14])([H:12])[H:13])([H:10])[H:11])([H:8])[H:9])[H:7],[O:1]1[C:2]([H:8])([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C@@:5]1([O:6][H:7])[H:14],"InChI=1S/C4H8O2/c5-3-1-2-4-6/h3,6H,1-2,4H2","InChI=1S/C4H8O2/c5-4-2-1-3-6-4/h4-5H,1-3H2/t4-/m1/s1",28.95604,-4.57066,
5372,[O:1]([C:2]([C:3]([C:4]([C:5](=[O:6])[H:14])([H:12])[H:13])([H:10])[H:11])([H:8])[H:9])[H:7],[O:1]([C:2]([C:3](/[C:4](=[C:5](\[O:6][H:7])[H:14])[H:12])([H:10])[H:11])([H:8])[H:9])[H:13],"InChI=1S/C4H8O2/c5-3-1-2-4-6/h3,6H,1-2,4H2","InChI=1S/C4H8O2/c5-3-1-2-4-6/h1,3,5-6H,2,4H2/b3-1-",30.936809999999998,-0.74303,ketoenol
5373,[O:1]([C:2]([C:3]([C:4]([C:5](=[O:6])[H:14])([H:12])[H:13])([H:10])[H:11])([H:8])[H:9])[H:7],[C:3]([C:4]([C:5](=[O:6])[H:14])([H:12])[H:13])([H:8])([H:10])[H:11].[O:1]([C:2][H:9])[H:7],"InChI=1S/C4H8O2/c5-3-1-2-4-6/h3,6H,1-2,4H2","InChI=1S/C3H6O.CH2O/c1-2-3-4;1-2/h3H,2H2,1H3;1-2H",70.93296,70.68316999999999,
5374,[O:1]([C:2]([C:3]([C:4]([C:5](=[O:6])[H:14])([H:12])[H:13])([H:10])[H:11])([H:8])[H:9])[H:7],[C-:5]#[O+:6].[H:11][H:14].[O:1]([C:2]([C:3](=[C:4]([H:12])[H:13])[H:10])([H:8])[H:9])[H:7],"InChI=1S/C4H8O2/c5-3-1-2-4-6/h3,6H,1-2,4H2","InChI=1S/C3H6O.CO.H2/c1-2-3-4;1-2;/h2,4H,1,3H2;;1H",61.44189,31.879590000000004,
5375,[O:1]([C:2]([C:3]([C:4]([C:5](=[O:6])[H:14])([H:12])[H:13])([H:10])[H:11])([H:8])[H:9])[H:7],[C:3](=[C:4]([C:5](=[O:6])[H:14])[H:13])([H:10])[H:11].[H:7][H:12].[O:1]=[C:2]([H:8])[H:9],"InChI=1S/C4H8O2/c5-3-1-2-4-6/h3,6H,1-2,4H2","InChI=1S/C3H4O.CH2O.H2/c1-2-3-4;1-2;/h2-3H,1H2;1H2;1H",62.666430000000005,45.49715,
5376,[O:1]([C:2]([C:3]([C:4]([C:5](=[O:6])[H:14])([H:12])[H:13])([H:10])[H:11])([H:8])[H:9])[H:7],[C:4](=[C:5]=[O:6])([H:12])[H:13].[O:1]([C:2]([C:3]([H:10])([H:11])[H:14])([H:8])[H:9])[H:7],"InChI=1S/C4H8O2/c5-3-1-2-4-6/h3,6H,1-2,4H2","InChI=1S/C2H6O.C2H2O/c2*1-2-3/h3H,2H2,1H3;1H2",74.63824,15.66702,
5377,[O:1]([C:2]([C:3]([C:4]([C:5](=[O:6])[H:14])([H:12])[H:13])([H:10])[H:11])([H:8])[H:9])[H:7],[O:1]([C:2]([C:3]([C:4]([O+:6]=[C-:5][H:14])([H:12])[H:13])([H:10])[H:11])([H:8])[H:9])[H:7],"InChI=1S/C4H8O2/c5-3-1-2-4-6/h3,6H,1-2,4H2","InChI=1S/C4H8O2/c1-6-4-2-3-5/h1,5H,2-4H2",110.87305,68.53489,
5378,[O:1]([C:2]([C:3]([C:4]([C:5](=[O:6])[H:14])([H:12])[H:13])([H:10])[H:11])([H:8])[H:9])[H:7],[C:2]1([H:8])([H:9])[C:3]([H:10])([H:11])[C:4]1([C:5](=[O:6])[H:14])[H:13].[O:1]([H:7])[H:12],"InChI=1S/C4H8O2/c5-3-1-2-4-6/h3,6H,1-2,4H2","InChI=1S/C4H6O.H2O/c5-3-4-1-2-4;/h3-4H,1-2H2;1H2",65.258,13.50785,
5379,[O:1]([C:2]([C:3]([C:4]([C:5](=[O:6])[H:14])([H:12])[H:13])([H:10])[H:11])([H:8])[H:9])[H:7],[H:7][H:8].[O:1]=[C:2]([C:3]([C:4]([C:5](=[O:6])[H:14])([H:12])[H:13])([H:10])[H:11])[H:9],"InChI=1S/C4H8O2/c5-3-1-2-4-6/h3,6H,1-2,4H2","InChI=1S/C4H6O2.H2/c5-3-1-2-4-6;/h3-4H,1-2H2;1H",79.79196999999999,16.59903,
5380,[O:1]([C:2]([C:3]([C:4]([C:5](=[O:6])[H:14])([H:12])[H:13])([H:10])[H:11])([H:8])[H:9])[H:7],[C:3](=[C:4]([H:12])[H:13])([H:10])[H:11].[C:5](=[O:6])([H:7])[H:14].[O:1]=[C:2]([H:8])[H:9],"InChI=1S/C4H8O2/c5-3-1-2-4-6/h3,6H,1-2,4H2",InChI=1S/C2H4.2CH2O/c3*1-2/h1-2H2;2*1H2,68.8713,47.223490000000005,
5381,[O:1]([C:2]([C:3]([C:4]([C:5](=[O:6])[H:14])([H:12])[H:13])([H:10])[H:11])([H:8])[H:9])[H:7],[O:1]([C:2]([C:3]([O:6][C:5](=[C:4]([H:12])[H:13])[H:14])([H:10])[H:11])([H:8])[H:9])[H:7],"InChI=1S/C4H8O2/c5-3-1-2-4-6/h3,6H,1-2,4H2","InChI=1S/C4H8O2/c1-2-6-4-3-5/h2,5H,1,3-4H2",69.63176999999999,15.169960000000001,ketoenol
5382,[O:1]([C:2]([C:3]([C:4]([C:5](=[O:6])[H:14])([H:12])[H:13])([H:10])[H:11])([H:8])[H:9])[H:7],[C:4](=[C:5]([O:6][H:8])[H:14])([H:12])[H:13].[O:1]([C:2](=[C:3]([H:10])[H:11])[H:9])[H:7],"InChI=1S/C4H8O2/c5-3-1-2-4-6/h3,6H,1-2,4H2","InChI=1S/2C2H4O/c2*1-2-3/h2*2-3H,1H2",49.14778,22.89066,Retroene
5383,[O:1]([C:2]([C:3]([C:4]([C:5](=[O:6])[H:14])([H:12])[H:13])([H:10])[H:11])([H:8])[H:9])[H:7],[O:1]([C:5]([C:4]([C:3]([C:2]([H:8])([H:9])[H:14])([H:10])[H:11])([H:12])[H:13])=[O:6])[H:7],"InChI=1S/C4H8O2/c5-3-1-2-4-6/h3,6H,1-2,4H2","InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)",70.86165,-29.83945,
5384,[O:1]([C:2]([C:3]([C:4]([C:5](=[O:6])[H:14])([H:12])[H:13])([H:10])[H:11])([H:8])[H:9])[H:7],[C:2](=[C:3]([C:4]([C:5](=[O:6])[H:14])([H:12])[H:13])[H:10])([H:8])[H:9].[O:1]([H:7])[H:11],"InChI=1S/C4H8O2/c5-3-1-2-4-6/h3,6H,1-2,4H2","InChI=1S/C4H6O.H2O/c1-2-3-4-5;/h2,4H,1,3H2;1H2",61.88746,11.80153,"1,3_Insertion_ROR"
5385,[N:1]1([H:7])[C@@:2]2([H:8])[C@:3]3([H:9])[O:4][C@@:5]2([H:10])[C@:6]13[H:11],[N+:1]12([H:7])[C@:2]([C:3](=[O:4])[H:9])([H:8])[C@@:5]1([H:10])[C-:6]2[H:11],"InChI=1S/C4H5NO/c5-1-3-2(5)4(1)6-3/h1-5H/t1-,2+,3-,4+","InChI=1S/C4H5NO/c6-2-4-3-1-5(3)4/h1-5H/t3-,4+/m1/s1",30.04059,16.30474,
5386,[N:1]1([H:7])[C@@:2]2([H:8])[C@:3]3([H:9])[O:4][C@@:5]2([H:10])[C@:6]13[H:11],[N:1]([C@:6]1([H:11])[C@:3]2([H:9])[C:2][C@@:5]1([H:10])[O:4]2)([H:7])[H:8],"InChI=1S/C4H5NO/c5-1-3-2(5)4(1)6-3/h1-5H/t1-,2+,3-,4+","InChI=1S/C4H5NO/c5-4-2-1-3(4)6-2/h2-4H,5H2/t2-,3+,4+",62.06821,30.574790000000004,
5387,[N:1]1([H:7])[C@@:2]2([H:8])[C@:3]3([H:9])[O:4][C@@:5]2([H:10])[C@:6]13[H:11],[N:1]1([H:7])[C@@:2]([C:5](=[O:4])[H:10])([H:8])[C:3]([H:9])=[C:6]1[H:11],"InChI=1S/C4H5NO/c5-1-3-2(5)4(1)6-3/h1-5H/t1-,2+,3-,4+",InChI=1S/C4H5NO/c6-3-4-1-2-5-4/h1-5H/t4-/m0/s1,26.623759999999997,-60.409580000000005,
5388,[N:1]1([H:7])[C@@:2]2([H:8])[C@:3]3([H:9])[O:4][C@@:5]2([H:10])[C@:6]13[H:11],[N:1]([C:2]1([H:8])[C:3]([H:9])=[O+:4][C:5]1[H:10])([C-:6][H:11])[H:7],"InChI=1S/C4H5NO/c5-1-3-2(5)4(1)6-3/h1-5H/t1-,2+,3-,4+",InChI=1S/C4H5NO/c1-5-4-2-6-3-4/h1-5H,42.225229999999996,46.080859999999994,
5389,[N:1]1([H:7])[C@@:2]2([H:8])[C@:3]3([H:9])[O:4][C@@:5]2([H:10])[C@:6]13[H:11],[N+:1]1([H:7])([H:9])[C@:2]2([H:8])[C-:3]3[O:4][C@:5]2([H:10])[C@@:6]13[H:11],"InChI=1S/C4H5NO/c5-1-3-2(5)4(1)6-3/h1-5H/t1-,2+,3-,4+","InChI=1S/C4H4NO/c5-1-3-2(5)4(1)6-3/h1-3,5H/q-1/p+1/t1-,2+,3-",71.55583,54.46686999999999,
5390,[N:1]1([H:7])[C@@:2]2([H:8])[C@:3]3([H:9])[O:4][C@@:5]2([H:10])[C@:6]13[H:11],[N:1][C@:6]1([H:11])[C@:3]2([H:9])[C:2]([H:7])([H:8])[C@@:5]1([H:10])[O:4]2,"InChI=1S/C4H5NO/c5-1-3-2(5)4(1)6-3/h1-5H/t1-,2+,3-,4+","InChI=1S/C4H5NO/c5-4-2-1-3(4)6-2/h2-4H,1H2/t2-,3+,4+",64.29396,37.35911,
5391,[N:1]1([H:7])[C@@:2]2([H:8])[C@:3]3([H:9])[O:4][C@@:5]2([H:10])[C@:6]13[H:11],[N:1]1([H:7])[C-:2]([H:8])[C:3]([O+:4]=[C-:5][H:10])([H:9])[C+:6]1[H:11],"InChI=1S/C4H5NO/c5-1-3-2(5)4(1)6-3/h1-5H/t1-,2+,3-,4+",InChI=1S/C4H5NO/c1-6-4-2-5-3-4/h1-5H,40.62063,48.97916,
5392,[C:1]([c:2]1[c:3]([H:10])[n:4][n:5][o:6]1)([H:7])([H:8])[H:9],[C:1](=[C:2]1[C:3]([H:10])=[N:4][N:5]([H:9])[O:6]1)([H:7])[H:8],"InChI=1S/C3H4N2O/c1-3-2-4-5-6-3/h2H,1H3","InChI=1S/C3H4N2O/c1-3-2-4-5-6-3/h2,5H,1H2",99.78453,26.790129999999998,
5393,[C:1]([c:2]1[c:3]([H:10])[n:4][n:5][o:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]#[C:3][H:10])([H:7])([H:8])[H:9].[N-:4]=[N+:5]=[O:6],"InChI=1S/C3H4N2O/c1-3-2-4-5-6-3/h2H,1H3","InChI=1S/C3H4.N2O/c1-3-2;1-2-3/h1H,2H3;",60.01158,39.72383,
5394,[C:1]([c:2]1[c:3]([H:10])[n:4][n:5][o:6]1)([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]=[N:4])[H:10])([H:7])([H:8])[H:9].[N:5]=[O:6],"InChI=1S/C3H4N2O/c1-3-2-4-5-6-3/h2H,1H3","InChI=1S/C3H4N.NO/c1-2-3-4;1-2/h2H,1H3;",96.85151,48.562259999999995,
5395,[C:1]([c:2]1[c:3]([H:10])[n:4][n:5][o:6]1)([H:7])([H:8])[H:9],[C:1]([C:3](=[C:2]=[O:6])[H:10])([H:7])([H:8])[H:9].[N:4]#[N:5],"InChI=1S/C3H4N2O/c1-3-2-4-5-6-3/h2H,1H3","InChI=1S/C3H4O.N2/c1-2-3-4;1-2/h2H,1H3;",31.4757,-38.325590000000005,
5396,[C:1]([c:2]1[c:3]([H:10])[n:4][n:5][o:6]1)([H:7])([H:8])[H:9],[C:1](=[C:2]1[C:3]([H:9])([H:10])[N:4]=[N:5][O:6]1)([H:7])[H:8],"InChI=1S/C3H4N2O/c1-3-2-4-5-6-3/h2H,1H3",InChI=1S/C3H4N2O/c1-3-2-4-5-6-3/h1-2H2,56.73465,22.12784,
5397,[C:1]([c:2]1[c:3]([H:10])[n:4][n:5][o:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]1=[C+:3][N:4]([H:10])[N-:5][O:6]1)([H:7])([H:8])[H:9],"InChI=1S/C3H4N2O/c1-3-2-4-5-6-3/h2H,1H3","InChI=1S/C3H4N2O/c1-3-2-4-5-6-3/h4H,1H3",90.63785,48.36538,
5398,[C:1]([c:2]1[c:3]([H:10])[n:4][n:5][o:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]([N-:5][N+:4]#[C:3][H:10])=[O:6])([H:7])([H:8])[H:9],"InChI=1S/C3H4N2O/c1-3-2-4-5-6-3/h2H,1H3","InChI=1S/C3H4N2O/c1-3(6)5-4-2/h2H,1H3",67.1664,14.00025,
5399,[C:1]([c:2]1[c:3]([H:10])[n:4][n:5][o:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]1([H:10])[N:4]=[N:5]1)=[O:6])([H:7])([H:8])[H:9],"InChI=1S/C3H4N2O/c1-3-2-4-5-6-3/h2H,1H3","InChI=1S/C3H4N2O/c1-2(6)3-4-5-3/h3H,1H3",38.19243,12.7007,ketoenol
5400,[C:1]([C:2]([O:3][C:4]([C:5]([H:13])([H:14])[H:15])([C:6]([H:16])([H:17])[H:18])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([O+:3]=[C-:4][C:5]([H:13])([H:14])[H:15])([H:10])[H:11])([H:7])([H:8])[H:9].[C:6]([H:12])([H:16])([H:17])[H:18],"InChI=1S/C5H12O/c1-4-6-5(2)3/h5H,4H2,1-3H3","InChI=1S/C4H8O.CH4/c1-3-5-4-2;/h3H2,1-2H3;1H4",69.85895,58.02616999999999,
5401,[C:1]([C:2]([O:3][C:4]([C:5]([H:13])([H:14])[H:15])([C:6]([H:16])([H:17])[H:18])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C-:2](=[O+:3][C:4]([C:5]([H:13])([H:14])[H:15])([C:6]([H:16])([H:17])[H:18])[H:12])[H:10].[C:1]([H:7])([H:8])([H:9])[H:11],"InChI=1S/C5H12O/c1-4-6-5(2)3/h5H,4H2,1-3H3","InChI=1S/C4H8O.CH4/c1-4(2)5-3;/h3-4H,1-2H3;1H4",71.74045,62.675959999999996,
5402,[C:1]([C:2]([O:3][C:4]([C:5]([H:13])([H:14])[H:15])([C:6]([H:16])([H:17])[H:18])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:14].[C:2](=[O:3])([H:10])[H:11].[C:4](=[C:5]([H:13])[H:15])([C:6]([H:16])([H:17])[H:18])[H:12],"InChI=1S/C5H12O/c1-4-6-5(2)3/h5H,4H2,1-3H3","InChI=1S/C3H6.CH2O.CH4/c1-3-2;1-2;/h3H,1H2,2H3;1H2;1H4",76.86092,27.18698,
5403,[C:1]([C:2]([O:3][C:4]([C:5]([H:13])([H:14])[H:15])([C:6]([H:16])([H:17])[H:18])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C-:2]([O+:3]=[C:4]([C:5]([H:13])([H:14])[H:15])[H:12])[H:10])([H:7])([H:8])[H:9].[C:6]([H:11])([H:16])([H:17])[H:18],"InChI=1S/C5H12O/c1-4-6-5(2)3/h5H,4H2,1-3H3","InChI=1S/C4H8O.CH4/c1-3-5-4-2;/h3-4H,1-2H3;1H4",73.36098,56.5426,
5404,[C:1]([C:2]([O:3][C:4]([C:5]([H:13])([H:14])[H:15])([C:6]([H:16])([H:17])[H:18])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([O+:3]=[C-:4][H:12])([H:10])[H:11])([H:7])([H:8])[H:9].[C:5]([C:6]([H:16])([H:17])[H:18])([H:13])([H:14])[H:15],"InChI=1S/C5H12O/c1-4-6-5(2)3/h5H,4H2,1-3H3","InChI=1S/C3H6O.C2H6/c1-3-4-2;1-2/h2H,3H2,1H3;1-2H3",127.49264,70.69679000000001,
5405,[C:1]([C:2]([O:3][C:4]([C:5]([H:13])([H:14])[H:15])([C:6]([H:16])([H:17])[H:18])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])[H:9].[C:2]([O:3][C:4]([C:5]([H:13])([H:14])[H:15])[C:6]([H:16])([H:17])[H:18])([H:10])([H:11])[H:12],"InChI=1S/C5H12O/c1-4-6-5(2)3/h5H,4H2,1-3H3",InChI=1S/C4H9O.CH3/c1-4(2)5-3;/h1-3H3;1H3,110.41261000000002,86.83803,
5406,[C:1]([C:2]([O:3][C:4]([C:5]([H:13])([H:14])[H:15])([C:6]([H:16])([H:17])[H:18])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C-:2]([O+:3]=[C:4]([C:6]([H:16])([H:17])[H:18])[H:12])([H:10])[H:11].[C:1]([C:5]([H:13])([H:14])[H:15])([H:7])([H:8])[H:9],"InChI=1S/C5H12O/c1-4-6-5(2)3/h5H,4H2,1-3H3","InChI=1S/C3H6O.C2H6/c1-3-4-2;1-2/h3H,2H2,1H3;1-2H3",133.71308,65.96951,
5407,[C:1]([C:2]([O:3][C:4]([C:5]([H:13])([H:14])[H:15])([C:6]([H:16])([H:17])[H:18])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C-:2]([O+:3]=[C:4]([C:5]([H:13])([H:14])[H:15])[C:6]([H:16])([H:17])[H:18])[H:10])([H:7])([H:8])[H:9].[H:11][H:12],"InChI=1S/C5H12O/c1-4-6-5(2)3/h5H,4H2,1-3H3","InChI=1S/C5H10O.H2/c1-4-6-5(2)3;/h4H,1-3H3;1H",63.63016,66.45999,
5408,[C:1]([C:2]([O:3][C:4]([C:5]([H:13])([H:14])[H:15])([C:6]([H:16])([H:17])[H:18])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([O:3][C:4]([C:5]([H:12])([H:13])[H:15])=[C:6]([H:16])[H:18])([H:10])[H:11])([H:7])([H:8])[H:9].[H:14][H:17],"InChI=1S/C5H12O/c1-4-6-5(2)3/h5H,4H2,1-3H3","InChI=1S/C5H10O.H2/c1-4-6-5(2)3;/h2,4H2,1,3H3;1H",101.36735,22.58413,
5409,[C:1]([c:2]1[c:3]([H:10])[n:4][n:5][n:6]1[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]=[N:4][N:5]=[N:6][H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C3H5N3/c1-3-2-4-6-5-3/h2H,1H3,(H,4,5,6)","InChI=1S/C3H5N3/c1-2-3-5-6-4/h2,4H,1H3",105.08997,50.80867,
5410,[C:1]([c:2]1[c:3]([H:10])[n:4][n:5][n:6]1[H:11])([H:7])([H:8])[H:9],[C:1](/[C:2]([C-:3]([N+:4]#[N:5])[H:10])=[N:6]\[H:11])([H:7])([H:8])[H:9],"InChI=1S/C3H5N3/c1-3-2-4-6-5-3/h2H,1H3,(H,4,5,6)","InChI=1S/C3H5N3/c1-3(4)2-6-5/h2,4H,1H3/b4-3+",20.34711,7.7477,
5411,[C:1]([c:2]1[c:3]([H:10])[n:4][n:5][n:6]1[H:11])([H:7])([H:8])[H:9],[C:1]([c:2]1[c:3]([H:10])[n:4][n:5]([H:11])[n:6]1)([H:7])([H:8])[H:9],"InChI=1S/C3H5N3/c1-3-2-4-6-5-3/h2H,1H3,(H,4,5,6)","InChI=1S/C3H5N3/c1-3-2-4-6-5-3/h2H,1H3,(H,4,5,6)",43.53051,-7.4709699999999994,
5412,[C:1]([c:2]1[c:3]([H:10])[n:4][n:5][n:6]1[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]1[C:3]([H:7])([H:10])[N:4]=[N:5][N:6]1[H:11])([H:8])[H:9],"InChI=1S/C3H5N3/c1-3-2-4-6-5-3/h2H,1H3,(H,4,5,6)","InChI=1S/C3H5N3/c1-3-2-4-6-5-3/h1-2H2,(H,4,5)",85.80429000000001,24.3443,
5413,[C:1]([c:2]1[c:3]([H:10])[n:4][n:5][n:6]1[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]1[C:3]([H:10])=[N:4][N:5]([H:7])[N:6]1[H:11])([H:8])[H:9],"InChI=1S/C3H5N3/c1-3-2-4-6-5-3/h2H,1H3,(H,4,5,6)","InChI=1S/C3H5N3/c1-3-2-4-6-5-3/h2,5-6H,1H2",102.13914,32.30175,
5414,[C:1]([c:2]1[c:3]([H:10])[n:4][n:5][n:6]1[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]#[C:3][H:10])([H:7])([H:8])[H:9].[N-:4]=[N+:5]=[N:6][H:11],"InChI=1S/C3H5N3/c1-3-2-4-6-5-3/h2H,1H3,(H,4,5,6)","InChI=1S/C3H4.HN3/c2*1-3-2/h1H,2H3;1H",71.7695,58.879380000000005,
5415,[C:1]([c:2]1[c:3]([H:10])[n:4][n:5][n:6]1[H:11])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:11])[C:3]([H:10])=[N:4][N:5]=[N:6]1)([H:7])([H:8])[H:9],"InChI=1S/C3H5N3/c1-3-2-4-6-5-3/h2H,1H3,(H,4,5,6)","InChI=1S/C3H5N3/c1-3-2-4-6-5-3/h2-3H,1H3/t3-/m0/s1",51.32311,26.03501,
5416,[C:1]([c:2]1[c:3]([H:10])[n:4][n:5][n:6]1[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]1=[C+:3][N:4]([H:10])[N-:5][N:6]1[H:11])([H:7])([H:8])[H:9],"InChI=1S/C3H5N3/c1-3-2-4-6-5-3/h2H,1H3,(H,4,5,6)","InChI=1S/C3H5N3/c1-3-2-4-6-5-3/h4-5H,1H3",81.34963,38.56992,
5417,[C:1]([c:2]1[c:3]([H:10])[n:4][n:5][n:6]1[H:11])([H:7])([H:8])[H:9],[C:1]([C:3](=[C:2]=[N:6][H:11])[H:10])([H:7])([H:8])[H:9].[N:4]#[N:5],"InChI=1S/C3H5N3/c1-3-2-4-6-5-3/h2H,1H3,(H,4,5,6)","InChI=1S/C3H5N.N2/c1-2-3-4;1-2/h2,4H,1H3;",55.32929,-17.68086,
5418,[C:1]([c:2]1[c:3]([H:10])[n:4][n:5][n:6]1[H:11])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]#[N+:4][N-:5][N:6]1[H:11])([H:7])([H:8])[H:9],"InChI=1S/C3H5N3/c1-3-2-4-6-5-3/h2H,1H3,(H,4,5,6)","InChI=1S/C3H5N3/c1-3-2-4-6-5-3/h3,5H,1H3/t3-/m0/s1",82.53654,75.41226999999999,Singlet_Carbene_Intra_Disproportionation
5419,[o:1]1[n:2][n:3][n:4][n:5]1,[N:4]#[N:5].[O:1]=[N+:3]=[N-:2],InChI=1S/N4O/c1-2-4-5-3-1,InChI=1S/N2O.N2/c1-2-3;1-2,3.50538,-75.68834,
5420,[o:1]1[n:2][n:3][n:4][n:5]1,[N:3]#[N:4].[O+:1](=[N-:2])[N:5],InChI=1S/N4O/c1-2-4-5-3-1,InChI=1S/N2O.N2/c1-3-2;1-2,58.7779,25.06991,
5421,[C:1]([O:2][C@@:3]([C:4]([H:11])([H:12])[H:13])([C:5]([O:6][H:16])([H:14])[H:15])[H:10])([H:7])([H:8])[H:9],[C-:1]([O+:2]=[C:3]([C:4]([H:11])([H:12])[H:13])[C:5]([O:6][H:16])([H:14])[H:15])([H:7])[H:8].[H:9][H:10],"InChI=1S/C4H10O2/c1-4(3-5)6-2/h4-5H,3H2,1-2H3/t4-/m0/s1","InChI=1S/C4H8O2.H2/c1-4(3-5)6-2;/h5H,2-3H2,1H3;1H",67.94827,68.00124,
5422,[C:1]([O:2][C@@:3]([C:4]([H:11])([H:12])[H:13])([C:5]([O:6][H:16])([H:14])[H:15])[H:10])([H:7])([H:8])[H:9],[C-:1]([O+:2]=[C:3]([C:5]([O:6][H:16])([H:14])[H:15])[H:10])([H:7])[H:8].[C:4]([H:9])([H:11])([H:12])[H:13],"InChI=1S/C4H10O2/c1-4(3-5)6-2/h4-5H,3H2,1-2H3/t4-/m0/s1","InChI=1S/C3H6O2.CH4/c1-5-3-2-4;/h3-4H,1-2H2;1H4",77.23165999999999,62.372580000000006,
5423,[C:1]([O:2][C@@:3]([C:4]([H:11])([H:12])[H:13])([C:5]([O:6][H:16])([H:14])[H:15])[H:10])([H:7])([H:8])[H:9],[C:1]([O:2][C@@:3]([C:5]([C:4]([H:11])([H:12])[H:13])([H:14])[H:15])([O:6][H:16])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H10O2/c1-4(3-5)6-2/h4-5H,3H2,1-2H3/t4-/m0/s1","InChI=1S/C4H10O2/c1-3-4(5)6-2/h4-5H,3H2,1-2H3/t4-/m0/s1",86.65983,-7.1539399999999995,
5424,[C:1]([O:2][C@@:3]([C:4]([H:11])([H:12])[H:13])([C:5]([O:6][H:16])([H:14])[H:15])[H:10])([H:7])([H:8])[H:9],[C:1]([O:2][H:16])([H:7])([H:8])[H:9].[C@:3]1([C:4]([H:11])([H:12])[H:13])([H:10])[C:5]([H:14])([H:15])[O:6]1,"InChI=1S/C4H10O2/c1-4(3-5)6-2/h4-5H,3H2,1-2H3/t4-/m0/s1","InChI=1S/C3H6O.CH4O/c1-3-2-4-3;1-2/h3H,2H2,1H3;2H,1H3/t3-;/m0./s1",56.60118000000001,27.39388,
5425,[C:1]([O:2][C@@:3]([C:4]([H:11])([H:12])[H:13])([C:5]([O:6][H:16])([H:14])[H:15])[H:10])([H:7])([H:8])[H:9],[C:1]([O:6][C:5]([C@@:3]([O:2][H:16])([C:4]([H:11])([H:12])[H:13])[H:10])([H:14])[H:15])([H:7])([H:8])[H:9],"InChI=1S/C4H10O2/c1-4(3-5)6-2/h4-5H,3H2,1-2H3/t4-/m0/s1","InChI=1S/C4H10O2/c1-4(5)3-6-2/h4-5H,3H2,1-2H3/t4-/m0/s1",68.16834,0.27823000000000003,
5426,[C:1]([O:2][C@@:3]([C:4]([H:11])([H:12])[H:13])([C:5]([O:6][H:16])([H:14])[H:15])[H:10])([H:7])([H:8])[H:9],[C:1]([O:2][H:16])([H:7])([H:8])[H:9].[C:3]([C:4]([H:11])([H:12])[H:13])([C:5](=[O:6])[H:15])([H:10])[H:14],"InChI=1S/C4H10O2/c1-4(3-5)6-2/h4-5H,3H2,1-2H3/t4-/m0/s1","InChI=1S/C3H6O.CH4O/c1-2-3-4;1-2/h3H,2H2,1H3;2H,1H3",53.591519999999996,5.44367,
5427,[C:1]([O:2][C@@:3]([C:4]([H:11])([H:12])[H:13])([C:5]([O:6][H:16])([H:14])[H:15])[H:10])([H:7])([H:8])[H:9],[C:1]([O:2][C:4]([H:11])([H:12])[H:13])([H:7])([H:8])[H:9].[C:3]([C:5]([O:6][H:16])([H:14])[H:15])[H:10],"InChI=1S/C4H10O2/c1-4(3-5)6-2/h4-5H,3H2,1-2H3/t4-/m0/s1","InChI=1S/C2H6O.C2H4O/c1-3-2;1-2-3/h1-2H3;1,3H,2H2",112.05426999999999,27.36764,
5428,[C:1]([O:2][C@@:3]([C:4]([H:11])([H:12])[H:13])([C:5]([O:6][H:16])([H:14])[H:15])[H:10])([H:7])([H:8])[H:9],[C-:1]([O+:2]=[C:3]([C:4]([H:11])([H:12])[H:13])[H:10])([H:7])[H:8].[C:5]([O:6][H:16])([H:9])([H:14])[H:15],"InChI=1S/C4H10O2/c1-4(3-5)6-2/h4-5H,3H2,1-2H3/t4-/m0/s1","InChI=1S/C3H6O.CH4O/c1-3-4-2;1-2/h3H,2H2,1H3;2H,1H3",77.59869,69.45612,
5429,[C:1]([O:2][C@@:3]([C:4]([H:11])([H:12])[H:13])([C:5]([O:6][H:16])([H:14])[H:15])[H:10])([H:7])([H:8])[H:9],[C:1]([O+:2]=[C-:3][C:4]([H:11])([H:12])[H:13])([H:7])([H:8])[H:9].[C:5]([O:6][H:16])([H:10])([H:14])[H:15],"InChI=1S/C4H10O2/c1-4(3-5)6-2/h4-5H,3H2,1-2H3/t4-/m0/s1","InChI=1S/C3H6O.CH4O/c1-3-4-2;1-2/h1-2H3;2H,1H3",66.7826,67.49345,
5430,[C:1]([O:2][C@@:3]([C:4]([H:11])([H:12])[H:13])([C:5]([O:6][H:16])([H:14])[H:15])[H:10])([H:7])([H:8])[H:9],[C:1]([O:2][C:3]([C:4]([H:11])([H:12])[H:13])=[C:5]([H:14])[H:15])([H:7])([H:8])[H:9].[O:6]([H:10])[H:16],"InChI=1S/C4H10O2/c1-4(3-5)6-2/h4-5H,3H2,1-2H3/t4-/m0/s1","InChI=1S/C4H8O.H2O/c1-4(2)5-3;/h1H2,2-3H3;1H2",66.17152,9.32596,"1,3_Insertion_ROR"
5431,[C:1]([O:2][C@@:3]([C:4]([H:11])([H:12])[H:13])([C:5]([O:6][H:16])([H:14])[H:15])[H:10])([H:7])([H:8])[H:9],[C:1]([O+:2]=[C-:3][C:5]([O:6][H:16])([H:14])[H:15])([H:7])([H:8])[H:9].[C:4]([H:10])([H:11])([H:12])[H:13],"InChI=1S/C4H10O2/c1-4(3-5)6-2/h4-5H,3H2,1-2H3/t4-/m0/s1","InChI=1S/C3H6O2.CH4/c1-5-3-2-4;/h4H,2H2,1H3;1H4",74.88626,61.30396,
5432,[C:1]([C:2](=[O:3])[C:4]([C:5]([O:6][H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](=[O:3])[C:4]([H:10])([H:11])[H:13])([H:7])([H:8])[H:9].[C:5]([O:6][H:14])[H:12],"InChI=1S/C4H8O2/c1-4(6)2-3-5/h5H,2-3H2,1H3",InChI=1S/C3H6O.CH2O/c1-3(2)4;1-2/h1-2H3;1-2H,65.39967,78.01664,
5433,[C:1]([C:2](=[O:3])[C:4]([C:5]([O:6][H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]=[O:3])([H:7])[H:9].[C:4]([C:5]([O:6][H:14])([H:12])[H:13])([H:8])([H:10])[H:11],"InChI=1S/C4H8O2/c1-4(6)2-3-5/h5H,2-3H2,1H3","InChI=1S/C2H6O.C2H2O/c2*1-2-3/h3H,2H2,1H3;1H2",81.22176999999999,25.062479999999997,
5434,[C:1]([C:2](=[O:3])[C:4]([C:5]([O:6][H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](=[O:3])[H:8])([C:4]([C:5]([O:6][H:14])([H:12])[H:13])([H:10])[H:11])([H:7])[H:9],"InChI=1S/C4H8O2/c1-4(6)2-3-5/h5H,2-3H2,1H3","InChI=1S/C4H8O2/c5-3-1-2-4-6/h3,6H,1-2,4H2",80.59806999999999,7.53025,
5435,[C:1]([C:2](=[O:3])[C:4]([C:5]([O:6][H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](/[C:2]([O:3][H:11])=[C:4](/[C:5]([O:6][H:14])([H:12])[H:13])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-4(6)2-3-5/h5H,2-3H2,1H3","InChI=1S/C4H8O2/c1-4(6)2-3-5/h2,5-6H,3H2,1H3/b4-2-",65.67423000000001,10.40921,ketoenol
5436,[C:1]([C:2](=[O:3])[C:4]([C:5]([O:6][H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([O:3][C:5]([O:6][H:14])([H:12])[H:13])=[C:4]([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-4(6)2-3-5/h5H,2-3H2,1H3","InChI=1S/C4H8O2/c1-4(2)6-3-5/h5H,1,3H2,2H3",68.03556,17.06255,ketoenol
5437,[C:1]([C:2](=[O:3])[C:4]([C:5]([O:6][H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([O:3][H:14])=[C:4]([H:10])[H:11])([H:7])([H:8])[H:9].[C:5](=[O:6])([H:12])[H:13],"InChI=1S/C4H8O2/c1-4(6)2-3-5/h5H,2-3H2,1H3","InChI=1S/C3H6O.CH2O/c1-3(2)4;1-2/h4H,1H2,2H3;1H2",26.58786,27.544659999999997,Retroene
5438,[C:1]([C:2](=[O:3])[C:4]([C:5]([O:6][H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:11].[C:2](=[O:3])=[C:4]([C:5]([O:6][H:14])([H:12])[H:13])[H:10],"InChI=1S/C4H8O2/c1-4(6)2-3-5/h5H,2-3H2,1H3","InChI=1S/C3H4O2.CH4/c4-2-1-3-5;/h1,4H,2H2;1H4",81.27654,21.78577,
5439,[C:1]([C:2](=[O:3])[C:4]([C:5]([O:6][H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](=[O:3])[H:11])([H:7])([H:8])[H:9].[C:4](=[C:5]([O:6][H:14])[H:12])([H:10])[H:13],"InChI=1S/C4H8O2/c1-4(6)2-3-5/h5H,2-3H2,1H3","InChI=1S/2C2H4O/c2*1-2-3/h2H,1H3;2-3H,1H2",92.5245,23.75398,
5440,[C:1]([C:2](=[O:3])[C:4]([C:5]([O:6][H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C@:2]1([O:3][H:14])[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[O:6]1)([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-4(6)2-3-5/h5H,2-3H2,1H3","InChI=1S/C4H8O2/c1-4(5)2-3-6-4/h5H,2-3H2,1H3/t4-/m1/s1",47.06528,17.91224,
5441,[C:1]([C:2](=[O:3])[C:4]([C:5]([O:6][H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]([O:3][H:8])[C:4]([C:5]([O:6][H:14])([H:12])[H:13])([H:10])[H:11])([H:7])[H:9],"InChI=1S/C4H8O2/c1-4(6)2-3-5/h5H,2-3H2,1H3","InChI=1S/C4H8O2/c1-4(6)2-3-5/h5-6H,1-3H2",64.08968,10.54398,ketoenol
5442,[C:1]([C:2](=[O:3])[C:4]([C:5]([O:6][H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](=[O:3])[O:6][H:14])([H:7])([H:8])[H:9].[C:4](=[C:5]([H:12])[H:13])([H:10])[H:11],"InChI=1S/C4H8O2/c1-4(6)2-3-5/h5H,2-3H2,1H3","InChI=1S/C2H4O2.C2H4/c1-2(3)4;1-2/h1H3,(H,3,4);1-2H2",53.27476,3.7691199999999996,
5443,[C:1]([C:2](=[O:3])[C:4]([C:5]([O:6][H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O+:3]=[C-:2][C:4]([C:5]([O:6][H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-4(6)2-3-5/h5H,2-3H2,1H3","InChI=1S/C4H8O2/c1-6-4-2-3-5/h5H,2-3H2,1H3",111.04476000000001,72.4263,
5444,[C:1]([C:2](=[O:3])[C:4]([C:5]([O:6][H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](=[O:3])[C@:5]([C:4]([H:10])([H:11])[H:13])([O:6][H:14])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-4(6)2-3-5/h5H,2-3H2,1H3","InChI=1S/C4H8O2/c1-3(5)4(2)6/h3,5H,1-2H3/t3-/m0/s1",69.22749,-2.26532,
5445,[C:1]([C:2](=[O:3])[C:4]([C:5]([O:6][H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C@@:2]([O:3][H:14])([C@@:4]1([H:10])[C:5]([H:12])([H:13])[O:6]1)[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-4(6)2-3-5/h5H,2-3H2,1H3","InChI=1S/C4H8O2/c1-3(5)4-2-6-4/h3-5H,2H2,1H3/t3-,4-/m1/s1",68.85247,27.399790000000003,
5446,[n:1]1([H:6])[c:2]([H:7])[c:3]([H:8])[n:4][c:5]1[H:9],[n:1]1([H:6])[c:2]([H:7])[c-:3][n:4]([H:8])[c+:5]1[H:9],"InChI=1S/C3H4N2/c1-2-5-3-4-1/h1-3H,(H,4,5)","InChI=1S/C3H4N2/c1-2-5-3-4-1/h1,3-5H",82.78308,50.91705,
5447,[n:1]1([H:6])[c:2]([H:7])[c:3]([H:8])[n:4][c:5]1[H:9],[N:1](=[C:5]([N:4]=[C:3]=[C:2]([H:7])[H:8])[H:9])[H:6],"InChI=1S/C3H4N2/c1-2-5-3-4-1/h1-3H,(H,4,5)","InChI=1S/C3H4N2/c1-2-5-3-4/h3-4H,1H2",93.57426,34.56902,
5448,[n:1]1([H:6])[c:2]([H:7])[c:3]([H:8])[n:4][c:5]1[H:9],[N+:1]1([H:6])([H:7])[C-:2]=[C:3]([H:8])[N:4]=[C:5]1[H:9],"InChI=1S/C3H4N2/c1-2-5-3-4-1/h1-3H,(H,4,5)","InChI=1S/C3H4N2/c1-2-5-3-4-1/h1,3H,5H2",88.85244,82.11842,
5449,[n:1]1([H:6])[c:2]([H:7])[c:3]([H:8])[n:4][c:5]1[H:9],[N:1]1([H:6])[C:2]([H:7])([H:8])[C-:3]=[N+:4]=[C:5]1[H:9],"InChI=1S/C3H4N2/c1-2-5-3-4-1/h1-3H,(H,4,5)","InChI=1S/C3H4N2/c1-2-5-3-4-1/h3-4H,1H2",77.05463,70.10105,Singlet_Carbene_Intra_Disproportionation
5450,[n:1]1([H:6])[c:2]([H:7])[c:3]([H:8])[n:4][c:5]1[H:9],[N:1]1=[C:5]([H:9])[N:4]=[C:3]([H:8])[C:2]1([H:6])[H:7],"InChI=1S/C3H4N2/c1-2-5-3-4-1/h1-3H,(H,4,5)","InChI=1S/C3H4N2/c1-2-5-3-4-1/h1,3H,2H2",46.353229999999996,16.98294,
5451,[n:1]1([H:6])[c:2]([H:7])[c:3]([H:8])[n:4][c:5]1[H:9],[N:1]1=[C:2]([H:7])[C:3]([H:8])=[N:4][C:5]1([H:6])[H:9],"InChI=1S/C3H4N2/c1-2-5-3-4-1/h1-3H,(H,4,5)","InChI=1S/C3H4N2/c1-2-5-3-4-1/h1-2H,3H2",44.81516,16.245179999999998,
5452,[n:1]1([H:6])[c:2]([H:7])[c:3]([H:8])[n:4][c:5]1[H:9],[N:1](=[C:2](/[C@@:3]1([H:8])[N:4]=[C:5]1[H:9])[H:7])\[H:6],"InChI=1S/C3H4N2/c1-2-5-3-4-1/h1-3H,(H,4,5)",InChI=1S/C3H4N2/c4-1-3-2-5-3/h1-4H/b4-1+/t3-/m1/s1,96.35413,54.7412,
5453,[n:1]1([H:6])[c:2]([H:7])[c:3]([H:8])[n:4][c:5]1[H:9],[N:1](=[C:2](/[C:3](=[N+:4]=[C-:5][H:9])[H:8])[H:7])\[H:6],"InChI=1S/C3H4N2/c1-2-5-3-4-1/h1-3H,(H,4,5)",InChI=1S/C3H4N2/c1-5-3-2-4/h1-4H/b4-2+,54.391630000000006,54.879,
5454,[n:1]1([H:6])[c:2]([H:7])[c:3]([H:8])[n:4][c:5]1[H:9],[N+:1]1([H:6])=[C-:2][C:3]([H:7])([H:8])[N:4]=[C:5]1[H:9],"InChI=1S/C3H4N2/c1-2-5-3-4-1/h1-3H,(H,4,5)","InChI=1S/C3H4N2/c1-2-5-3-4-1/h3,5H,1H2",61.69627,51.65173,Singlet_Carbene_Intra_Disproportionation
5455,[n:1]1([H:6])[c:2]([H:7])[c:3]([H:8])[n:4][c:5]1[H:9],[N:1]1([H:6])[C:2]([H:7])=[C:3]([H:8])[N:4]([H:9])[C:5]1,"InChI=1S/C3H4N2/c1-2-5-3-4-1/h1-3H,(H,4,5)","InChI=1S/C3H4N2/c1-2-5-3-4-1/h1-2,4-5H",67.83147,33.27421,
5456,[n:1]1([H:6])[c:2]([H:7])[c:3]([H:8])[n:4][c:5]1[H:9],[H:7][H:9].[n:1]1([H:6])[c-:2][c:3]([H:8])[n+:4]#[c:5]1,"InChI=1S/C3H4N2/c1-2-5-3-4-1/h1-3H,(H,4,5)",InChI=1S/C3HN2.H2/c1-2-5-3-4-1;/h1H;1H/q-1;/p+1,146.03628999999998,137.54814,
5457,[n:1]1([H:6])[c:2]([H:7])[c:3]([H:8])[n:4][c:5]1[H:9],[N:1](/[C:5](=[N:4]\[C:3](=[C:2])[H:8])[H:9])([H:6])[H:7],"InChI=1S/C3H4N2/c1-2-5-3-4-1/h1-3H,(H,4,5)","InChI=1S/C3H4N2/c1-2-5-3-4/h2-3H,(H2,4,5)",92.05926,91.65828,
5458,[n:1]1([H:6])[c:2]([H:7])[c:3]([H:8])[n:4][c:5]1[H:9],[N:1]([C@:2]1([H:7])[C:3]([H:8])=[N:4]1)([C:5][H:9])[H:6],"InChI=1S/C3H4N2/c1-2-5-3-4-1/h1-3H,(H,4,5)",InChI=1S/C3H4N2/c1-4-3-2-5-3/h1-4H/t3-/m0/s1,129.34896,102.97067,
5459,[n:1]1([H:6])[c:2]([H:7])[c:3]([H:8])[n:4][c:5]1[H:9],[N:1](=[C:2]=[C:3]([H:7])[H:8])[H:6].[N:4]#[C:5][H:9],"InChI=1S/C3H4N2/c1-2-5-3-4-1/h1-3H,(H,4,5)","InChI=1S/C2H3N.CHN/c1-2-3;1-2/h3H,1H2;1H",102.16913000000001,42.52855,
5460,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[O:4][C:5]([H:13])=[N:6]1)([H:7])([H:8])[H:9],[C:1]([C-:2]1[C:3]([H:11])([H:12])[O+:4]=[C:5]([H:13])[N:6]1[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4-2-6-3-5-4/h3-4H,2H2,1H3/t4-/m0/s1","InChI=1S/C4H7NO/c1-4-2-6-3-5-4/h3,5H,2H2,1H3",74.79943,49.648509999999995,
5461,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[O:4][C:5]([H:13])=[N:6]1)([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[N:6]1[C:5](=[O:4])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4-2-6-3-5-4/h3-4H,2H2,1H3/t4-/m0/s1","InChI=1S/C4H7NO/c1-4-2-5(4)3-6/h3-4H,2H2,1H3/t4-,5?/m0/s1",45.93817,14.02075,ketoenol
5462,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[O:4][C:5]([H:13])=[N:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])=[N:6][C:5](=[O:4])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4-2-6-3-5-4/h3-4H,2H2,1H3/t4-/m0/s1","InChI=1S/C4H7NO/c1-4(2)5-3-6/h3H,1-2H3",53.4402,-5.6649199999999995,
5463,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[O:4][C:5]([H:13])=[N:6]1)([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[O+:4]=[C-:5][N:6]1[H:13])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4-2-6-3-5-4/h3-4H,2H2,1H3/t4-/m0/s1","InChI=1S/C4H7NO/c1-4-2-6-3-5-4/h4-5H,2H2,1H3/t4-/m0/s1",66.26873,28.559040000000003,
5464,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[O:4][C:5]([H:13])=[N:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]1=[N:6][C:5]([H:10])([H:13])[O:4][C:3]1([H:11])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4-2-6-3-5-4/h3-4H,2H2,1H3/t4-/m0/s1","InChI=1S/C4H7NO/c1-4-2-6-3-5-4/h2-3H2,1H3",100.18835,4.40475,
5465,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[O:4][C:5]([H:13])=[N:6]1)([H:7])([H:8])[H:9],[C:1]([N+:6]1=[C:5]([H:13])[O:4][C:3]([H:11])([H:12])[C-:2]1[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4-2-6-3-5-4/h3-4H,2H2,1H3/t4-/m0/s1","InChI=1S/C4H7NO/c1-5-2-3-6-4-5/h2,4H,3H2,1H3",95.54352,56.12324,
5466,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[O:4][C:5]([H:13])=[N:6]1)([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C-:3]([H:12])[O+:4]=[C:5]([H:13])[N:6]1[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4-2-6-3-5-4/h3-4H,2H2,1H3/t4-/m0/s1","InChI=1S/C4H7NO/c1-4-2-6-3-5-4/h2-5H,1H3/t4-/m0/s1",75.31953,62.115880000000004,
5467,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[O:4][C:5]([H:13])=[N:6]1)([H:7])([H:8])[H:9],[C:1]([C:2](/[N:6]=[C:5](\[O+:4]=[C-:3][H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4-2-6-3-5-4/h3-4H,2H2,1H3/t4-/m0/s1","InChI=1S/C4H7NO/c1-3-5-4-6-2/h2,4H,3H2,1H3/b5-4-",75.64272,78.16658000000001,
5468,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[O:4][C:5]([H:13])=[N:6]1)([H:7])([H:8])[H:9],[C:1]([C@@:2]([C:3]([O:4][H:13])([H:11])[H:12])([N+:6]#[C-:5])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4-2-6-3-5-4/h3-4H,2H2,1H3/t4-/m0/s1","InChI=1S/C4H7NO/c1-4(3-6)5-2/h4,6H,3H2,1H3/t4-/m0/s1",60.7844,21.88879,
5469,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[O:4][C:5]([H:13])=[N:6]1)([H:7])([H:8])[H:9],[C:1]([C@:5]1([H:13])[O:4][C:3]([H:11])([H:12])[C:2]([H:10])=[N:6]1)([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4-2-6-3-5-4/h3-4H,2H2,1H3/t4-/m0/s1","InChI=1S/C4H7NO/c1-4-5-2-3-6-4/h2,4H,3H2,1H3/t4-/m0/s1",107.33166999999999,6.2249099999999995,
5470,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[O:4][C:5]([H:13])=[N:6]1)([H:7])([H:8])[H:9],[C:1](=[C:2]([C:3]([O:4]/[C:5](=[N:6]\[H:10])[H:13])([H:11])[H:12])[H:8])([H:7])[H:9],"InChI=1S/C4H7NO/c1-4-2-6-3-5-4/h3-4H,2H2,1H3/t4-/m0/s1","InChI=1S/C4H7NO/c1-2-3-6-4-5/h2,4-5H,1,3H2/b5-4-",100.59838,15.179120000000001,
5471,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[O:4][C:5]([H:13])=[N:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]([C:3](=[O:4])[H:11])([H:10])[H:12])([H:7])([H:8])[H:9].[C:5](#[N:6])[H:13],"InChI=1S/C4H7NO/c1-4-2-6-3-5-4/h3-4H,2H2,1H3/t4-/m0/s1","InChI=1S/C3H6O.CHN/c1-2-3-4;1-2/h3H,2H2,1H3;1H",67.5904,15.28532,
5472,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[O:4][C:5]([H:13])=[N:6]1)([H:7])([H:8])[H:9],[C:1]([C:3](/[C:2](=[N:6]\[C:5](=[O:4])[H:13])[H:10])([H:11])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4-2-6-3-5-4/h3-4H,2H2,1H3/t4-/m0/s1","InChI=1S/C4H7NO/c1-2-3-5-4-6/h3-4H,2H2,1H3/b5-3-",60.527919999999995,0.99098,
5473,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[O:4][C:5]([H:13])=[N:6]1)([H:7])([H:8])[H:9],[C:1]1([H:7])([H:9])[C@@:2]2([H:10])[C@:3]1([H:11])[O:4][C:5]([H:13])=[N:6]2.[H:8][H:12],"InChI=1S/C4H7NO/c1-4-2-6-3-5-4/h3-4H,2H2,1H3/t4-/m0/s1","InChI=1S/C4H5NO.H2/c1-3-4(1)6-2-5-3;/h2-4H,1H2;1H/t3-,4+;/m0./s1",107.2683,39.53311,
5474,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[O:3][C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6]1,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[O:3][C:4]([H:11])([H:12])[O:6]1.[C:5]([H:13])[H:14],InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2,InChI=1S/C3H6O2.CH2/c1-2-5-3-4-1;/h1-3H2;1H2,106.19031000000001,117.19168,
5475,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[O:3][C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6]1,[C-:1]1=[O+:6][C:5]([H:13])([H:14])[C:4]([H:11])([H:12])[O:3][C:2]1([H:9])[H:10].[H:7][H:8],InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2,InChI=1S/C4H6O2.H2/c1-2-6-4-3-5-1;/h1-3H2;1H,76.77244,70.96512,
5476,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[O:3][C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6]1,[C:1](=[C:2]([H:9])[H:10])([H:7])[H:8].[C:5](=[O:6])([H:13])[H:14].[O:3]=[C:4]([H:11])[H:12],InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2,InChI=1S/C2H4.2CH2O/c3*1-2/h1-2H2;2*1H2,70.89318,34.91278,
5477,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[O:3][C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6]1,[C:1]([C:2]([O+:3]=[C-:4][H:12])([H:9])[H:10])([O:6][C:5]([H:11])([H:13])[H:14])([H:7])[H:8],InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2,"InChI=1S/C4H8O2/c1-5-3-4-6-2/h1H,3-4H2,2H3",75.83725,67.74552,
5478,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[O:3][C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6]1,[C:1](=[C:2]([H:9])[H:10])([O:6][C:5]([C:4]([O:3][H:8])([H:11])[H:12])([H:13])[H:14])[H:7],InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2,"InChI=1S/C4H8O2/c1-2-6-4-3-5/h2,5H,1,3-4H2",71.61613,6.254169999999999,
5479,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[O:3][C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6]1,[C-:1]1([H:7])[C:2]([H:9])([H:10])[O:3][C:4]([H:11])([H:12])[C:5]([H:13])=[O+:6]1.[H:8][H:14],InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2,"InChI=1S/C4H6O2.H2/c1-2-6-4-3-5-1;/h1,3H,2,4H2;1H",68.83938,71.6945,
5480,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[O:3][C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6]1,[C:1]1([H:7])=[C:2]([H:10])[O:3][C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6]1.[H:8][H:9],InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2,"InChI=1S/C4H6O2.H2/c1-2-6-4-3-5-1;/h1-2H,3-4H2;1H",104.97242,21.953120000000002,
5481,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[O:3][C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6]1,[C:1]1([C:2]([H:7])([H:9])[H:10])([H:8])[O:3][C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6]1,InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2,"InChI=1S/C4H8O2/c1-4-5-2-3-6-4/h4H,2-3H2,1H3",83.64743,-6.59341,
5482,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[O:3][C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6]1,[C:1]([C:2]([O:3][C:4]([C:5][H:14])([H:11])[H:12])([H:9])[H:10])([O:6][H:13])([H:7])[H:8],InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2,"InChI=1S/C4H8O2/c1-2-6-4-3-5/h1,5H,2-4H2",85.76011,79.94121,
5483,[O:1]([C:2]([C@@:3]([O:4][H:11])([C:5]#[N:6])[H:10])([H:8])[H:9])[H:7],[C:5]=[N:6][H:11].[O:1]([C:2]([C:3](=[O:4])[H:10])([H:8])[H:9])[H:7],"InChI=1S/C3H5NO2/c4-1-3(6)2-5/h3,5-6H,2H2/t3-/m0/s1","InChI=1S/C2H4O2.CHN/c3-1-2-4;1-2/h1,4H,2H2;2H",55.21171999999999,36.78644,
5484,[O:1]([C:2]([C@@:3]([O:4][H:11])([C:5]#[N:6])[H:10])([H:8])[H:9])[H:7],[C:5](#[N:6])[H:9].[O:1](/[C:2](=[C:3](\[O:4][H:11])[H:10])[H:8])[H:7],"InChI=1S/C3H5NO2/c4-1-3(6)2-5/h3,5-6H,2H2/t3-/m0/s1",InChI=1S/C2H4O2.CHN/c3-1-2-4;1-2/h1-4H;1H/b2-1-;,71.04604,23.09659,
5485,[O:1]([C:2]([C@@:3]([O:4][H:11])([C:5]#[N:6])[H:10])([H:8])[H:9])[H:7],[O:1]([C:2]([C:3](=[C:5]=[N:6][O:4][H:11])[H:10])([H:8])[H:9])[H:7],"InChI=1S/C3H5NO2/c4-1-3(6)2-5/h3,5-6H,2H2/t3-/m0/s1","InChI=1S/C3H5NO2/c5-3-1-2-4-6/h1,5-6H,3H2",86.79531999999999,50.70371,
5486,[O:1]([C:2]([C@@:3]([O:4][H:11])([C:5]#[N:6])[H:10])([H:8])[H:9])[H:7],[C:3](=[O:4])([C:5]#[N:6])[H:10].[H:7][H:11].[O:1]=[C:2]([H:8])[H:9],"InChI=1S/C3H5NO2/c4-1-3(6)2-5/h3,5-6H,2H2/t3-/m0/s1",InChI=1S/C2HNO.CH2O.H2/c3-1-2-4;1-2;/h2H;1H2;1H,63.30874,43.08999,
5487,[O:1]([C:2]([C@@:3]([O:4][H:11])([C:5]#[N:6])[H:10])([H:8])[H:9])[H:7],[O:1]([C:2]([C:3]([O:4][H:11])=[C:5]=[N:6][H:10])([H:8])[H:9])[H:7],"InChI=1S/C3H5NO2/c4-1-3(6)2-5/h3,5-6H,2H2/t3-/m0/s1","InChI=1S/C3H5NO2/c4-1-3(6)2-5/h4-6H,2H2",84.03286,19.34494,
5488,[O:1]([C:2]([C@@:3]([O:4][H:11])([C:5]#[N:6])[H:10])([H:8])[H:9])[H:7],[O:1]([C:2]([C@@:3]1([H:10])[C:5]([O:4][H:11])=[N:6]1)([H:8])[H:9])[H:7],"InChI=1S/C3H5NO2/c4-1-3(6)2-5/h3,5-6H,2H2/t3-/m0/s1","InChI=1S/C3H5NO2/c5-1-2-3(6)4-2/h2,5H,1H2,(H,4,6)/t2-/m0/s1",74.2285,27.82757,
5489,[O:1]([C:2]([C@@:3]([O:4][H:11])([C:5]#[N:6])[H:10])([H:8])[H:9])[H:7],[C:2]1([H:8])([H:9])[C@@:3]([C:5]#[N:6])([H:10])[O:4]1.[O:1]([H:7])[H:11],"InChI=1S/C3H5NO2/c4-1-3(6)2-5/h3,5-6H,2H2/t3-/m0/s1","InChI=1S/C3H3NO.H2O/c4-1-3-2-5-3;/h3H,2H2;1H2/t3-;/m0./s1",58.523630000000004,24.68447,
5490,[O:1]([C:2]([C@@:3]([O:4][H:11])([C:5]#[N:6])[H:10])([H:8])[H:9])[H:7],[O:1]([C:2]([C@@:3]([O:4][H:11])([N+:6]#[C-:5])[H:10])([H:8])[H:9])[H:7],"InChI=1S/C3H5NO2/c4-1-3(6)2-5/h3,5-6H,2H2/t3-/m0/s1","InChI=1S/C3H5NO2/c1-4-3(6)2-5/h3,5-6H,2H2/t3-/m1/s1",49.48615,22.148139999999998,
5491,[O:1]([C:2]([C@@:3]([O:4][H:11])([C:5]#[N:6])[H:10])([H:8])[H:9])[H:7],[H:7][H:9].[O:1]=[C:2]([C@@:3]([O:4][H:11])([C:5]#[N:6])[H:10])[H:8],"InChI=1S/C3H5NO2/c4-1-3(6)2-5/h3,5-6H,2H2/t3-/m0/s1","InChI=1S/C3H3NO2.H2/c4-1-3(6)2-5;/h2-3,6H;1H/t3-;/m0./s1",82.7733,24.73963,
5492,[O:1]([C:2]([C@@:3]([O:4][H:11])([C:5]#[N:6])[H:10])([H:8])[H:9])[H:7],[H:7][H:10].[O:1]([C:2]([C:3](=[O:4])[C:5]#[N:6])([H:8])[H:9])[H:11],"InChI=1S/C3H5NO2/c4-1-3(6)2-5/h3,5-6H,2H2/t3-/m0/s1","InChI=1S/C3H3NO2.H2/c4-1-3(6)2-5;/h5H,2H2;1H",56.70475,17.46294,
5493,[O:1]([C:2]([C@@:3]([O:4][H:11])([C:5]#[N:6])[H:10])([H:8])[H:9])[H:7],[O:1]1[C:2]([H:8])([H:9])[C@:3]([O:4][H:11])([H:10])/[C:5]1=[N:6]/[H:7],"InChI=1S/C3H5NO2/c4-1-3(6)2-5/h3,5-6H,2H2/t3-/m0/s1","InChI=1S/C3H5NO2/c4-3-2(5)1-6-3/h2,4-5H,1H2/b4-3-/t2-/m1/s1",65.00032,7.061839999999999,
5494,[O:1]([C:2]([C@@:3]([O:4][H:11])([C:5]#[N:6])[H:10])([H:8])[H:9])[H:7],[C:5](#[N:6])[H:10].[O:1]([C:2]([C:3][O:4][H:11])([H:8])[H:9])[H:7],"InChI=1S/C3H5NO2/c4-1-3(6)2-5/h3,5-6H,2H2/t3-/m0/s1","InChI=1S/C2H4O2.CHN/c3-1-2-4;1-2/h3-4H,1H2;1H",67.81949,64.70326999999999,
5495,[O:1]([C:2]([C@@:3]([O:4][H:11])([C:5]#[N:6])[H:10])([H:8])[H:9])[H:7],[C:2]([C:3](=[O:4])[H:10])([C:5]#[N:6])([H:8])[H:9].[O:1]([H:7])[H:11],"InChI=1S/C3H5NO2/c4-1-3(6)2-5/h3,5-6H,2H2/t3-/m0/s1","InChI=1S/C3H3NO.H2O/c4-2-1-3-5;/h3H,1H2;1H2",60.04917,0.29591999999999996,
5496,[O:1]([C:2]([C@@:3]([O:4][H:11])([C:5]#[N:6])[H:10])([H:8])[H:9])[H:7],[C+:3](=[C:5]=[N-:6])[H:10].[O:1]([C:2]([O:4][H:11])([H:8])[H:9])[H:7],"InChI=1S/C3H5NO2/c4-1-3(6)2-5/h3,5-6H,2H2/t3-/m0/s1","InChI=1S/C2HN.CH4O2/c1-2-3;2-1-3/h1H;2-3H,1H2",83.53435,87.08899,
5497,[O:1]([C:2]([C@@:3]([O:4][H:11])([C:5]#[N:6])[H:10])([H:8])[H:9])[H:7],[O:1]([C:2]([C+:3]=[C:5]=[N-:6])([H:8])[H:9])[H:7].[O:4]([H:10])[H:11],"InChI=1S/C3H5NO2/c4-1-3(6)2-5/h3,5-6H,2H2/t3-/m0/s1","InChI=1S/C3H3NO.H2O/c4-2-1-3-5;/h5H,3H2;1H2",64.07767,73.70956,
5498,[O:1]([C:2]([C@@:3]([O:4][H:11])([C:5]#[N:6])[H:10])([H:8])[H:9])[H:7],[C:2](=[C:3]([O:4][H:11])[C:5]#[N:6])([H:8])[H:9].[O:1]([H:7])[H:10],"InChI=1S/C3H5NO2/c4-1-3(6)2-5/h3,5-6H,2H2/t3-/m0/s1","InChI=1S/C3H3NO.H2O/c1-3(5)2-4;/h5H,1H2;1H2",55.98263000000001,3.67545,"1,3_Insertion_ROR"
5499,[O:1]([C:2]([C@@:3]([O:4][H:11])([C:5]#[N:6])[H:10])([H:8])[H:9])[H:7],[O:1]([C:2]([C:3]([C:5]#[N:6])([H:9])[H:10])([O:4][H:11])[H:8])[H:7],"InChI=1S/C3H5NO2/c4-1-3(6)2-5/h3,5-6H,2H2/t3-/m0/s1","InChI=1S/C3H5NO2/c4-2-1-3(5)6/h3,5-6H,1H2",86.70723000000001,-12.55155,
5500,[C:1]1([H:7])([H:8])[N:2]([H:9])[C@:3]1([C@@:4]1([H:11])[C:5]([H:12])([H:13])[N:6]1[H:14])[H:10],[C:1]1([H:7])([H:8])[N+:2]([H:9])([H:10])[C-:3]1[C@@:4]1([H:11])[C:5]([H:12])([H:13])[N:6]1[H:14],"InChI=1S/C4H8N2/c1-3(5-1)4-2-6-4/h3-6H,1-2H2/t3-,4-/m1/s1","InChI=1S/C4H8N2/c1-3(5-1)4-2-6-4/h3,5H,1-2,6H2/t3-/m1/s1",60.14226,48.52895,
5501,[C:1]1([H:7])([H:8])[N:2]([H:9])[C@:3]1([C@@:4]1([H:11])[C:5]([H:12])([H:13])[N:6]1[H:14])[H:10],[C:1]([N:2]([H:9])[H:11])(/[C:3](=[C:4]1\[C:5]([H:12])([H:13])[N:6]1[H:14])[H:10])([H:7])[H:8],"InChI=1S/C4H8N2/c1-3(5-1)4-2-6-4/h3-6H,1-2H2/t3-,4-/m1/s1","InChI=1S/C4H8N2/c5-2-1-4-3-6-4/h1,6H,2-3,5H2/b4-1+",67.03435,-2.65975,
5502,[C:1]1([H:7])([H:8])[N:2]([H:9])[C@:3]1([C@@:4]1([H:11])[C:5]([H:12])([H:13])[N:6]1[H:14])[H:10],[C:1]1([H:7])([H:8])[N:2]([H:9])[C:3]([H:10])=[C:4]1[H:11].[C:5](=[N:6][H:14])([H:12])[H:13],"InChI=1S/C4H8N2/c1-3(5-1)4-2-6-4/h3-6H,1-2H2/t3-,4-/m1/s1","InChI=1S/C3H5N.CH3N/c1-2-4-3-1;1-2/h1-2,4H,3H2;2H,1H2",86.48816,12.95735,
5503,[C:1]1([H:7])([H:8])[N:2]([H:9])[C@:3]1([C@@:4]1([H:11])[C:5]([H:12])([H:13])[N:6]1[H:14])[H:10],[C:1]1([H:7])([H:8])[N:2]([H:9])[C@:3]1([C:4][N:6]([C:5]([H:11])([H:12])[H:13])[H:14])[H:10],"InChI=1S/C4H8N2/c1-3(5-1)4-2-6-4/h3-6H,1-2H2/t3-,4-/m1/s1","InChI=1S/C4H8N2/c1-5-2-4-3-6-4/h4-6H,3H2,1H3/t4-/m0/s1",63.61855,32.18665,
5504,[C:1]1([H:7])([H:8])[N:2]([H:9])[C@:3]1([C@@:4]1([H:11])[C:5]([H:12])([H:13])[N:6]1[H:14])[H:10],[C:1]1([H:7])([H:8])[N:2]([H:9])[C@:3]1(/[C:4](=[N:6]/[C:5]([H:12])([H:13])[H:14])[H:11])[H:10],"InChI=1S/C4H8N2/c1-3(5-1)4-2-6-4/h3-6H,1-2H2/t3-,4-/m1/s1","InChI=1S/C4H8N2/c1-5-2-4-3-6-4/h2,4,6H,3H2,1H3/b5-2+/t4-/m0/s1",60.01201,-15.03667,
5505,[C:1]1([H:7])([H:8])[N:2]([H:9])[C@:3]1([C@@:4]1([H:11])[C:5]([H:12])([H:13])[N:6]1[H:14])[H:10],[C-:1]1([H:8])[N+:2]([H:7])([H:9])[C@:3]1([C@@:4]1([H:11])[C:5]([H:12])([H:13])[N:6]1[H:14])[H:10],"InChI=1S/C4H8N2/c1-3(5-1)4-2-6-4/h3-6H,1-2H2/t3-,4-/m1/s1","InChI=1S/C4H8N2/c1-3(5-1)4-2-6-4/h1,3-4,6H,2,5H2/t3-,4-/m1/s1",62.50422,52.948530000000005,
5506,[C:1]1([H:7])([H:8])[N:2]([H:9])[C@:3]1([C@@:4]1([H:11])[C:5]([H:12])([H:13])[N:6]1[H:14])[H:10],[C:1]1([H:7])([H:8])[N:2]([H:9])[C@:3]1([C:4][C:5]([N:6]([H:11])[H:14])([H:12])[H:13])[H:10],"InChI=1S/C4H8N2/c1-3(5-1)4-2-6-4/h3-6H,1-2H2/t3-,4-/m1/s1","InChI=1S/C4H8N2/c5-2-1-4-3-6-4/h4,6H,2-3,5H2/t4-/m0/s1",72.38088,57.124019999999994,
5507,[C:1]1([H:7])([H:8])[N:2]([H:9])[C@:3]1([C@@:4]1([H:11])[C:5]([H:12])([H:13])[N:6]1[H:14])[H:10],[C:1]1([H:7])([H:8])[N:2]([H:9])/[C:3]1=[C:4]([C:5](=[N:6]/[H:14])\[H:12])/[H:11].[H:10][H:13],"InChI=1S/C4H8N2/c1-3(5-1)4-2-6-4/h3-6H,1-2H2/t3-,4-/m1/s1","InChI=1S/C4H6N2.H2/c5-2-1-4-3-6-4;/h1-2,5-6H,3H2;1H/b4-1-,5-2-;",120.94516999999999,12.15775,
5508,[C:1]1([H:7])([H:8])[N:2]([H:9])[C@:3]1([C@@:4]1([H:11])[C:5]([H:12])([H:13])[N:6]1[H:14])[H:10],[C:1]1([H:7])([H:8])[N:2]([H:9])[C@:3]1([C+:4]([N:6]([C-:5]([H:12])[H:13])[H:14])[H:11])[H:10],"InChI=1S/C4H8N2/c1-3(5-1)4-2-6-4/h3-6H,1-2H2/t3-,4-/m1/s1","InChI=1S/C4H8N2/c1-5-2-4-3-6-4/h2,4-6H,1,3H2/t4-/m0/s1",38.38195,22.64496,
5509,[C:1]1([H:7])([H:8])[N:2]([H:9])[C@:3]1([C@@:4]1([H:11])[C:5]([H:12])([H:13])[N:6]1[H:14])[H:10],[C:1]1([H:7])([H:8])[N:2]([H:9])[C@:3]1([C:4]([N:6]([C:5][H:12])[H:14])([H:11])[H:13])[H:10],"InChI=1S/C4H8N2/c1-3(5-1)4-2-6-4/h3-6H,1-2H2/t3-,4-/m1/s1","InChI=1S/C4H8N2/c1-5-2-4-3-6-4/h1,4-6H,2-3H2/t4-/m0/s1",69.24916,34.54596,
5510,[C:1]1([H:7])([H:8])[N:2]([H:9])[C@:3]1([C@@:4]1([H:11])[C:5]([H:12])([H:13])[N:6]1[H:14])[H:10],[C:1]1([H:7])([H:8])[N:2]([H:9])[C:3]1=[C:4]([H:10])[H:11].[C:5](=[N:6][H:14])([H:12])[H:13],"InChI=1S/C4H8N2/c1-3(5-1)4-2-6-4/h3-6H,1-2H2/t3-,4-/m1/s1","InChI=1S/C3H5N.CH3N/c1-3-2-4-3;1-2/h4H,1-2H2;2H,1H2",79.71842,14.87563,
5511,[C:1]1([H:7])([H:8])[N:2]([H:9])[C@:3]1([C@@:4]1([H:11])[C:5]([H:12])([H:13])[N:6]1[H:14])[H:10],[C-:1]1([H:8])[N:2]([H:9])[C@:3]1([C+:4]1[C:5]([H:12])([H:13])[N:6]1[H:14])[H:10].[H:7][H:11],"InChI=1S/C4H8N2/c1-3(5-1)4-2-6-4/h3-6H,1-2H2/t3-,4-/m1/s1","InChI=1S/C4H6N2.H2/c1-3(5-1)4-2-6-4;/h1,3,5-6H,2H2;1H/t3-;/m1./s1",117.60236,91.34107,
5512,[C:1]1([H:7])([H:8])[N:2]([H:9])[C@:3]1([C@@:4]1([H:11])[C:5]([H:12])([H:13])[N:6]1[H:14])[H:10],[C:1]1([H:7])([H:8])[N:2]([H:9])[C@:3]1([C:4]([N:6]=[C:5]([H:12])[H:13])([H:11])[H:14])[H:10],"InChI=1S/C4H8N2/c1-3(5-1)4-2-6-4/h3-6H,1-2H2/t3-,4-/m1/s1","InChI=1S/C4H8N2/c1-5-2-4-3-6-4/h4,6H,1-3H2/t4-/m0/s1",63.89455,-8.01298,
5513,[C:1]1([H:7])([H:8])[N:2]([H:9])[C@:3]1([C@@:4]1([H:11])[C:5]([H:12])([H:13])[N:6]1[H:14])[H:10],[C:1]1([H:7])=[N:2][C@:3]1([C@@:4]1([H:11])[C:5]([H:9])([H:13])[N:6]1[H:14])[H:10].[H:8][H:12],"InChI=1S/C4H8N2/c1-3(5-1)4-2-6-4/h3-6H,1-2H2/t3-,4-/m1/s1","InChI=1S/C4H6N2.H2/c1-3(5-1)4-2-6-4;/h1,3-4,6H,2H2;1H/t3-,4-;/m1./s1",99.47941,37.3198,
5514,[C:1]1([H:7])([H:8])[N:2]([H:9])[C@:3]1([C@@:4]1([H:11])[C:5]([H:12])([H:13])[N:6]1[H:14])[H:10],[C:1]([N:2](/[C:3](=[C:4]1/[C:5]([H:12])([H:13])[N:6]1[H:14])[H:10])[H:9])([H:7])([H:8])[H:11],"InChI=1S/C4H8N2/c1-3(5-1)4-2-6-4/h3-6H,1-2H2/t3-,4-/m1/s1","InChI=1S/C4H8N2/c1-5-2-4-3-6-4/h2,5-6H,3H2,1H3/b4-2-",101.78556,0.8256,
5515,[C:1]1([H:7])([H:8])[N:2]([H:9])[C@:3]1([C@@:4]1([H:11])[C:5]([H:12])([H:13])[N:6]1[H:14])[H:10],[C:1](=[N:2][H:9])([H:7])[H:8].[C:3]([C@@:4]1([H:11])[C:5]([H:12])([H:13])[N:6]1[H:14])[H:10],"InChI=1S/C4H8N2/c1-3(5-1)4-2-6-4/h3-6H,1-2H2/t3-,4-/m1/s1","InChI=1S/C3H5N.CH3N/c1-3-2-4-3;1-2/h1,3-4H,2H2;2H,1H2/t3-;/m0./s1",77.43138,86.70012,
5516,[C:1]1([H:7])([H:8])[N:2]([H:9])[C@:3]1([C@@:4]1([H:11])[C:5]([H:12])([H:13])[N:6]1[H:14])[H:10],[C:1]([N:2]([C:3](=[C:4]([C:5]([N:6]([H:8])[H:14])([H:12])[H:13])[H:11])[H:10])[H:9])[H:7],"InChI=1S/C4H8N2/c1-3(5-1)4-2-6-4/h3-6H,1-2H2/t3-,4-/m1/s1","InChI=1S/C4H8N2/c1-6-4-2-3-5/h1-2,4,6H,3,5H2",64.50735,21.21046,
5517,[C:1]1([H:7])([H:8])[N:2]([H:9])[C@:3]1([C@@:4]1([H:11])[C:5]([H:12])([H:13])[N:6]1[H:14])[H:10],[C:1]1([H:7])([H:8])[N:2]([H:9])[C@:3]1([N+:6]1([H:14])[C-:4]([H:11])[C:5]1([H:12])[H:13])[H:10],"InChI=1S/C4H8N2/c1-3(5-1)4-2-6-4/h3-6H,1-2H2/t3-,4-/m1/s1","InChI=1S/C4H8N2/c1-2-6(1)4-3-5-4/h1,4-6H,2-3H2/t4-/m0/s1",94.6408,63.720580000000005,
5518,[C:1]1([H:7])([H:8])[N:2]([H:9])[C@:3]1([C@@:4]1([H:11])[C:5]([H:12])([H:13])[N:6]1[H:14])[H:10],[C:1]1([H:7])([H:8])[N:2]([H:9])/[C:3]1=[C:4]1/[C:5]([H:12])([H:13])[N:6]1[H:14].[H:10][H:11],"InChI=1S/C4H8N2/c1-3(5-1)4-2-6-4/h3-6H,1-2H2/t3-,4-/m1/s1","InChI=1S/C4H6N2.H2/c1-3(5-1)4-2-6-4;/h5-6H,1-2H2;1H/b4-3-;",99.15296,46.30574,
5519,[o:1]1[c:2]([H:6])[n:3][c:4]([H:7])[n:5]1,[C:2](#[N:3])[H:6].[O-:1][N+:5]#[C:4][H:7],InChI=1S/C2H2N2O/c1-3-2-5-4-1/h1-2H,InChI=1S/CHNO.CHN/c1-2-3;1-2/h1H;1H,57.16505,47.55373,
5520,[o:1]1[c:2]([H:6])[n:3][c:4]([H:7])[n:5]1,[o+:1]1[c-:2][n:3]([H:6])[c:4]([H:7])[n:5]1,InChI=1S/C2H2N2O/c1-3-2-5-4-1/h1-2H,"InChI=1S/C2H2N2O/c1-3-2-5-4-1/h1H,(H,3,4)",70.78296,28.86652,
5521,[o:1]1[c:2]([H:6])[n:3][c:4]([H:7])[n:5]1,[O:1][C:2](=[N:3][C:4](=[N:5])[H:7])[H:6],InChI=1S/C2H2N2O/c1-3-2-5-4-1/h1-2H,InChI=1S/C2H2N2O/c3-1-4-2-5/h1-2H,49.17427,40.97798,
5522,[o:1]1[c:2]([H:6])[n:3][c:4]([H:7])[n:5]1,[O:1]=[C:2]([N:3]=[C:4]=[N:5][H:7])[H:6],InChI=1S/C2H2N2O/c1-3-2-5-4-1/h1-2H,InChI=1S/C2H2N2O/c3-1-4-2-5/h2-3H,44.35354,-20.32749,
5523,[o:1]1[c:2]([H:6])[n:3][c:4]([H:7])[n:5]1,[O:1]([N:5]=[C:4]([N+:3]#[C-:2])[H:7])[H:6],InChI=1S/C2H2N2O/c1-3-2-5-4-1/h1-2H,"InChI=1S/C2H2N2O/c1-3-2-4-5/h2,5H",51.72209,41.554829999999995,
5524,[o:1]1[c:2]([H:6])[n:3][c:4]([H:7])[n:5]1,[C:4](#[N:5])[H:7].[O:1]=[C:2]=[N:3][H:6],InChI=1S/C2H2N2O/c1-3-2-5-4-1/h1-2H,InChI=1S/CHNO.CHN/c2-1-3;1-2/h2H;1H,55.69275,-20.15879,
5525,[o:1]1[c:2]([H:6])[n:3][c:4]([H:7])[n:5]1,[O:1](/[C:2](=[N:3]\[H:7])[H:6])[N+:5]#[C-:4],InChI=1S/C2H2N2O/c1-3-2-5-4-1/h1-2H,InChI=1S/C2H2N2O/c1-4-5-2-3/h2-3H/b3-2-,77.51454,58.4244,
5526,[O:1]([c:2]1[c:3]([H:8])[c:4]([H:9])[c:5]([H:10])[n:6]1[H:11])[H:7],[O:1]([C@:2]1([H:11])[C:3]([H:8])=[C:4]([H:9])[C:5]([H:10])=[N:6]1)[H:7],"InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h1-3,5-6H","InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h1-4,6H/t4-/m1/s1",44.67331,18.84469,
5527,[O:1]([c:2]1[c:3]([H:8])[c:4]([H:9])[c:5]([H:10])[n:6]1[H:11])[H:7],[O:1]([C:2]1=[N:6][C:5]([H:10])([H:11])[C:4]([H:9])=[C:3]1[H:8])[H:7],"InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h1-3,5-6H","InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h1-2H,3H2,(H,5,6)",41.45519,7.00035,
5528,[O:1]([c:2]1[c:3]([H:8])[c:4]([H:9])[c:5]([H:10])[n:6]1[H:11])[H:7],[O:1]([C:2][N:6]([C:5]1([H:10])[C:3]([H:8])=[C:4]1[H:9])[H:11])[H:7],"InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h1-3,5-6H","InChI=1S/C4H5NO/c6-3-5-4-1-2-4/h1-2,4-6H",119.84926999999999,87.75749,
5529,[O:1]([c:2]1[c:3]([H:8])[c:4]([H:9])[c:5]([H:10])[n:6]1[H:11])[H:7],[O:1]([C+:2]1[C:3]([H:8])([H:9])[C-:4]=[C:5]([H:10])[N:6]1[H:11])[H:7],"InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h1-3,5-6H","InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h3,5-6H,2H2",77.44639000000001,72.37722,
5530,[O:1]([c:2]1[c:3]([H:8])[c:4]([H:9])[c:5]([H:10])[n:6]1[H:11])[H:7],[O:1]([C:2]1=[C-:3][C:4]([H:8])([H:9])[C+:5]([H:10])[N:6]1[H:11])[H:7],"InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h1-3,5-6H","InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h3,5-6H,1H2",73.72105,73.99811,
5531,[O:1]([c:2]1[c:3]([H:8])[c:4]([H:9])[c:5]([H:10])[n:6]1[H:11])[H:7],[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])=[C:5]([H:10])[N:6]1[H:11],"InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h1-3,5-6H","InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h1,3H,2H2,(H,5,6)",52.746190000000006,-6.59975,ketoenol
5532,[O:1]([c:2]1[c:3]([H:8])[c:4]([H:9])[c:5]([H:10])[n:6]1[H:11])[H:7],[O:1](/[C:2]([C:3](=[C:4]=[C:5]([H:9])[H:10])[H:8])=[N:6]\[H:11])[H:7],"InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h1-3,5-6H","InChI=1S/C4H5NO/c1-2-3-4(5)6/h3H,1H2,(H2,5,6)",88.11474,27.55667,
5533,[O:1]([c:2]1[c:3]([H:8])[c:4]([H:9])[c:5]([H:10])[n:6]1[H:11])[H:7],[O:1]([C@@:3]1([H:8])[C:2][N:6]([H:11])[C:5]([H:10])=[C:4]1[H:9])[H:7],"InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h1-3,5-6H","InChI=1S/C4H5NO/c6-4-1-2-5-3-4/h1-2,4-6H/t4-/m1/s1",83.91112,67.21864000000001,
5534,[O:1]([c:2]1[c:3]([H:8])[c:4]([H:9])[c:5]([H:10])[n:6]1[H:11])[H:7],[O:1]([C@:2]1([H:8])[C-:3]=[C:4]([H:9])[C+:5]([H:10])[N:6]1[H:11])[H:7],"InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h1-3,5-6H","InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h1,3-6H/t4-/m1/s1",70.25751,69.63456,Singlet_Carbene_Intra_Disproportionation
5535,[O:1]([c:2]1[c:3]([H:8])[c:4]([H:9])[c:5]([H:10])[n:6]1[H:11])[H:7],[O:1]([C@:2]1([H:9])[C:3]([H:8])=[C:4]=[C:5]([H:10])[N:6]1[H:11])[H:7],"InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h1-3,5-6H",InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h2-6H/t4-/m1/s1,93.09808000000001,70.64927,
5537,[O:1]([c:2]1[c:3]([H:8])[c:4]([H:9])[c:5]([H:10])[n:6]1[H:11])[H:7],[O:1]([C:2]1=[C:3]([H:8])[C:4]([H:9])([H:10])[C:5][N:6]1[H:11])[H:7],"InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h1-3,5-6H","InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h2,5-6H,1H2",58.4793,52.67612,Singlet_Carbene_Intra_Disproportionation
5538,[O:1]([c:2]1[c:3]([H:8])[c:4]([H:9])[c:5]([H:10])[n:6]1[H:11])[H:7],[O:1]([C+:2]1[C:3]([H:8])=[C-:4][C:5]([H:9])([H:10])[N:6]1[H:11])[H:7],"InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h1-3,5-6H","InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h2,5-6H,3H2",66.56659,57.36551,Singlet_Carbene_Intra_Disproportionation
5539,[O:1]([c:2]1[c:3]([H:8])[c:4]([H:9])[c:5]([H:10])[n:6]1[H:11])[H:7],[O:1]([C:2](=[C:3]=[C:4](/[C:5](=[N:6]/[H:11])[H:10])[H:9])[H:8])[H:7],"InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h1-3,5-6H","InChI=1S/C4H5NO/c5-3-1-2-4-6/h1,3-6H/b5-3+",70.26335999999999,44.14543,
5540,[O:1]([c:2]1[c:3]([H:8])[c:4]([H:9])[c:5]([H:10])[n:6]1[H:11])[H:7],[O:1]([C:2]1=[C:3]([H:8])[C:4]([H:9])=[C-:5][N+:6]1([H:10])[H:11])[H:7],"InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h1-3,5-6H","InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h1-2,6H,5H2",85.25083000000001,78.60382,
5541,[O:1]([c:2]1[c:3]([H:8])[c:4]([H:9])[c:5]([H:10])[n:6]1[H:11])[H:7],[O:1](/[C:2]([C:3]1([H:8])[C:4]([H:9])=[C:5]1[H:10])=[N:6]\[H:11])[H:7],"InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h1-3,5-6H","InChI=1S/C4H5NO/c5-4(6)3-1-2-3/h1-3H,(H2,5,6)",84.28901,48.70949,
5542,[O:1]([c:2]1[c:3]([H:8])[c:4]([H:9])[c:5]([H:10])[n:6]1[H:11])[H:7],[O:1]=[C:2]1[C:3]([H:8])=[C:4]([H:9])[C:5]([H:7])([H:10])[N:6]1[H:11],"InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h1-3,5-6H","InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h1-2H,3H2,(H,5,6)",84.38136999999999,-6.46375,
5543,[O:1]([c:2]1[c:3]([H:8])[c:4]([H:9])[c:5]([H:10])[n:6]1[H:11])[H:7],[O:1]([C:2]1=[C:3]([H:8])[C@:4]1(/[C:5](=[N:6]/[H:11])[H:10])[H:9])[H:7],"InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h1-3,5-6H","InChI=1S/C4H5NO/c5-2-3-1-4(3)6/h1-3,5-6H/b5-2+/t3-/m0/s1",90.10603,59.15823,
5544,[O:1]([c:2]1[c:3]([H:8])[c:4]([H:9])[c:5]([H:10])[n:6]1[H:11])[H:7],[O:1]([C@:2]12[C:3]([H:8])=[C:4]([H:9])[C@@:5]1([H:10])[N:6]2[H:11])[H:7],"InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h1-3,5-6H","InChI=1S/C4H5NO/c6-4-2-1-3(4)5-4/h1-3,5-6H/t3-,4-/m1/s1",90.32595,75.97899,Intra_2+2_cycloaddition_Cd
5545,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[C@:4]1([H:12])[O:5][C:6]2([H:13])[H:14],[C:1]([C:2]1([H:9])[C:3]([H:10])([H:11])[O:5][C:6]1([H:13])[H:14])([C:4][H:12])([H:7])[H:8],"InChI=1S/C5H8O/c1-4-2-5(1)6-3-4/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H8O/c1-2-5-3-6-4-5/h1,5H,2-4H2",98.30044000000001,90.30167,
5546,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[C@:4]1([H:12])[O:5][C:6]2([H:13])[H:14],[C:1]1([H:8])=[C:2]([H:9])[C:3]([H:10])([H:11])[C:4]1([H:7])[H:12].[O:5]=[C:6]([H:13])[H:14],"InChI=1S/C5H8O/c1-4-2-5(1)6-3-4/h4-5H,1-3H2/t4-,5+","InChI=1S/C4H6.CH2O/c1-2-4-3-1;1-2/h1-2H,3-4H2;1H2",76.23938000000001,18.21722,
5547,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[C@:4]1([H:12])[O:5][C:6]2([H:13])[H:14],[C:1]1([H:7])([H:8])[C@:2]([C:3][H:11])([H:9])[C:6]([H:13])([H:14])[O:5][C:4]1([H:10])[H:12],"InChI=1S/C5H8O/c1-4-2-5(1)6-3-4/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H8O/c1-5-2-3-6-4-5/h1,5H,2-4H2/t5-/m1/s1",70.30875999999999,65.71491,
5548,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[C@:4]1([H:12])[O:5][C:6]2([H:13])[H:14],[C:1]1([H:7])([H:8])[C:2][C:6]([H:13])([H:14])[O:5][C@:4]1([C:3]([H:9])([H:10])[H:11])[H:12],"InChI=1S/C5H8O/c1-4-2-5(1)6-3-4/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H8O/c1-5-3-2-4-6-5/h5H,3-4H2,1H3/t5-/m0/s1",65.64676999999999,50.12518,
5549,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[C@:4]1([H:12])[O:5][C:6]2([H:13])[H:14],[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[C@:4]1([H:12])[O+:5]=[C-:6]2.[H:13][H:14],"InChI=1S/C5H8O/c1-4-2-5(1)6-3-4/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H6O.H2/c1-4-2-5(1)6-3-4;/h4-5H,1-2H2;1H/t4-,5+;",76.90178,68.083,
5550,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[C@:4]1([H:12])[O:5][C:6]2([H:13])[H:14],[C:1]1([H:7])([H:8])[C:2]([C:6]([O+:5]=[C-:4][H:12])([H:13])[H:14])([H:9])[C:3]1([H:10])[H:11],"InChI=1S/C5H8O/c1-4-2-5(1)6-3-4/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H8O/c1-6-4-5-2-3-5/h1,5H,2-4H2",105.07311000000001,55.10332,
5551,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[C@:4]1([H:12])[O:5][C:6]2([H:13])[H:14],[C:1]1([H:7])([H:8])[C:2]2=[C:6]([H:14])[O:5][C:4]1([H:12])[C:3]2([H:10])[H:11].[H:9][H:13],"InChI=1S/C5H8O/c1-4-2-5(1)6-3-4/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H6O.H2/c1-4-2-5(1)6-3-4;/h3,5H,1-2H2;1H",103.51883000000001,94.30369,
5552,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[C@:4]1([H:12])[O:5][C:6]2([H:13])[H:14],[C:1]([C:2]1([H:9])[C:3]([H:10])([H:11])[C:6]1([H:13])[H:14])([C:4](=[O:5])[H:12])([H:7])[H:8],"InChI=1S/C5H8O/c1-4-2-5(1)6-3-4/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H8O/c6-4-3-5-1-2-5/h4-5H,1-3H2",56.9943,-12.50719,
5553,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[C@:4]1([H:12])[O:5][C:6]2([H:13])[H:14],[C:1]([C@@:2]1([H:9])[C:3]([H:11])=[C:4]([H:12])[O:5][C:6]1([H:13])[H:14])([H:7])([H:8])[H:10],"InChI=1S/C5H8O/c1-4-2-5(1)6-3-4/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H8O/c1-5-2-3-6-4-5/h2-3,5H,4H2,1H3/t5-/m0/s1",99.96562,-19.694589999999998,
5554,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[C@:4]1([H:12])[O:5][C:6]2([H:13])[H:14],[C:1]1([H:7])([H:8])[C:2]([H:9])([H:13])[C:3]([H:10])([H:11])[C:4]1([O+:5]=[C-:6][H:14])[H:12],"InChI=1S/C5H8O/c1-4-2-5(1)6-3-4/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H8O/c1-6-5-3-2-4-5/h1,5H,2-4H2",79.0434,54.39253000000001,
5555,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[C@:4]1([H:12])[O:5][C:6]2([H:13])[H:14],[C:1]([C:4]([C:3]([C:2](=[C:6]([H:13])[H:14])[H:9])([H:10])[H:11])=[O:5])([H:7])([H:8])[H:12],"InChI=1S/C5H8O/c1-4-2-5(1)6-3-4/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H8O/c1-3-4-5(2)6/h3H,1,4H2,2H3",61.429280000000006,-25.59364,
5556,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[C@:4]1([H:12])[O:5][C:6]2([H:13])[H:14],[C:1]1([H:7])([H:8])[C:2][C:3]([H:10])([H:11])[C:4]1([O:5][C:6]([H:9])([H:13])[H:14])[H:12],"InChI=1S/C5H8O/c1-4-2-5(1)6-3-4/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H8O/c1-6-5-3-2-4-5/h5H,3-4H2,1H3",75.75787,82.77360999999999,
5557,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[C@:4]1([H:12])[O:5][C:6]2([H:13])[H:14],[C:1]1([H:7])([H:8])[C:2]([C:6]([O:5][H:12])([H:13])[H:14])([H:9])[C:3]([H:10])([H:11])[C:4]1,"InChI=1S/C5H8O/c1-4-2-5(1)6-3-4/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H8O/c6-4-5-2-1-3-5/h5-6H,2-4H2",64.56957,61.125969999999995,
5558,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[C@:4]1([H:12])[O:5][C:6]2([H:13])[H:14],[C:1]1([H:7])([H:8])[C@:2]([C:3]([H:10])([H:11])[H:12])([H:9])[C:6]([H:13])([H:14])[O+:5]=[C-:4]1,"InChI=1S/C5H8O/c1-4-2-5(1)6-3-4/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H8O/c1-5-2-3-6-4-5/h5H,2,4H2,1H3/t5-/m1/s1",56.99485,19.77016,
5559,[O:1]([C@@:2]([C:3](=[O:4])[H:9])([C:5]#[N:6])[H:8])[H:7],[O:1](/[C:2](=[C:3](\[O:4][H:7])[H:9])[C:5]#[N:6])[H:8],"InChI=1S/C3H3NO2/c4-1-3(6)2-5/h2-3,6H/t3-/m1/s1","InChI=1S/C3H3NO2/c4-1-3(6)2-5/h2,5-6H/b3-2-",52.77474,-5.58953,ketoenol
5560,[O:1]([C@@:2]([C:3](=[O:4])[H:9])([C:5]#[N:6])[H:8])[H:7],[O:1](/[C:2](=[C:3](\[O:4][H:7])[H:9])[H:8])[C:5]#[N:6],"InChI=1S/C3H3NO2/c4-1-3(6)2-5/h2-3,6H/t3-/m1/s1","InChI=1S/C3H3NO2/c4-3-6-2-1-5/h1-2,5H/b2-1-",63.361290000000004,18.31775,ketoenol
5561,[O:1]([C@@:2]([C:3](=[O:4])[H:9])([C:5]#[N:6])[H:8])[H:7],[O:1]([O:4]/[C:3](=[C:2](/[C:5]#[N:6])[H:8])[H:9])[H:7],"InChI=1S/C3H3NO2/c4-1-3(6)2-5/h2-3,6H/t3-/m1/s1","InChI=1S/C3H3NO2/c4-2-1-3-6-5/h1,3,5H/b3-1+",84.90798000000001,55.25011,ketoenol
5562,[O:1]([C@@:2]([C:3](=[O:4])[H:9])([C:5]#[N:6])[H:8])[H:7],[O:1]=[C:2]([C:3]([O:4][H:7])([H:8])[H:9])[C:5]#[N:6],"InChI=1S/C3H3NO2/c4-1-3(6)2-5/h2-3,6H/t3-/m1/s1","InChI=1S/C3H3NO2/c4-1-3(6)2-5/h5H,2H2",35.17015,-2.28611,
5563,[O:1]([C@@:2]([C:3](=[O:4])[H:9])([C:5]#[N:6])[H:8])[H:7],[O:1]([C@@:2]([C:3](=[O:4])[H:9])([N+:6]#[C-:5])[H:8])[H:7],"InChI=1S/C3H3NO2/c4-1-3(6)2-5/h2-3,6H/t3-/m1/s1","InChI=1S/C3H3NO2/c1-4-3(6)2-5/h2-3,6H/t3-/m0/s1",44.77678,22.37106,
5564,[O:1]([C@@:2]([C:3](=[O:4])[H:9])([C:5]#[N:6])[H:8])[H:7],[C-:3]#[O+:4].[O:1]([C:2](=[C:5]=[N:6][H:9])[H:8])[H:7],"InChI=1S/C3H3NO2/c4-1-3(6)2-5/h2-3,6H/t3-/m1/s1",InChI=1S/C2H3NO.CO/c3-1-2-4;1-2/h2-4H;,40.59145,19.4175,
5565,[O:1]([C@@:2]([C:3](=[O:4])[H:9])([C:5]#[N:6])[H:8])[H:7],[O:1]([C:2](=[C:5]=[N:6][C:3](=[O:4])[H:9])[H:8])[H:7],"InChI=1S/C3H3NO2/c4-1-3(6)2-5/h2-3,6H/t3-/m1/s1","InChI=1S/C3H3NO2/c5-2-1-4-3-6/h2-3,5H",50.93071,18.97172,
5566,[O:1]([C@@:2]([C:3](=[O:4])[H:9])([C:5]#[N:6])[H:8])[H:7],[O:1](/[C:2](=[C:3](/[O:4][N+:6]#[C-:5])[H:9])[H:8])[H:7],"InChI=1S/C3H3NO2/c4-1-3(6)2-5/h2-3,6H/t3-/m1/s1","InChI=1S/C3H3NO2/c1-4-6-3-2-5/h2-3,5H/b3-2+",87.93205,81.50822,
5567,[O:1]([C@@:2]([C:3](=[O:4])[H:9])([C:5]#[N:6])[H:8])[H:7],[O:1]([C:2]([C:3](=[O:4])[H:9])=[C:5]=[N:6][H:8])[H:7],"InChI=1S/C3H3NO2/c4-1-3(6)2-5/h2-3,6H/t3-/m1/s1","InChI=1S/C3H3NO2/c4-1-3(6)2-5/h2,4,6H",61.40636,5.95012,
5568,[O:1]([C@@:2]([C:3](=[O:4])[H:9])([C:5]#[N:6])[H:8])[H:7],[O:1]([N:6]=[C:5]=[C:2]([C:3](=[O:4])[H:9])[H:8])[H:7],"InChI=1S/C3H3NO2/c4-1-3(6)2-5/h2-3,6H/t3-/m1/s1","InChI=1S/C3H3NO2/c5-3-1-2-4-6/h1,3,6H",82.64211,41.56048,
5569,[O:1]([C@@:2]([C:3](=[O:4])[H:9])([C:5]#[N:6])[H:8])[H:7],[H:7][H:8].[O:1]=[C:2]([C:3](=[O:4])[H:9])[C:5]#[N:6],"InChI=1S/C3H3NO2/c4-1-3(6)2-5/h2-3,6H/t3-/m1/s1",InChI=1S/C3HNO2.H2/c4-1-3(6)2-5;/h2H;1H,91.57771,28.209559999999996,
5570,[O:1]([C@@:2]([C:3](=[O:4])[H:9])([C:5]#[N:6])[H:8])[H:7],[C-:3]#[O+:4].[O:1]([C:2]([C:5]#[N:6])([H:8])[H:9])[H:7],"InChI=1S/C3H3NO2/c4-1-3(6)2-5/h2-3,6H/t3-/m1/s1","InChI=1S/C2H3NO.CO/c3-1-2-4;1-2/h4H,2H2;",62.54909,-1.18404,"1,2_Insertion_CO"
5571,[O:1]([C@@:2]([C:3](=[O:4])[H:9])([C:5]#[N:6])[H:8])[H:7],[C:2](=[C:3]=[O:4])([H:8])[H:9].[O:1]([C:5]#[N:6])[H:7],"InChI=1S/C3H3NO2/c4-1-3(6)2-5/h2-3,6H/t3-/m1/s1",InChI=1S/C2H2O.CHNO/c1-2-3;2-1-3/h1H2;3H,92.4084,17.01098,
5572,[O:1]([C@@:2]([C:3](=[O:4])[H:9])([C:5]#[N:6])[H:8])[H:7],[O:1]1[C@@:2]([C:5]#[N:6])([H:8])[C@@:3]1([O:4][H:7])[H:9],"InChI=1S/C3H3NO2/c4-1-3(6)2-5/h2-3,6H/t3-/m1/s1","InChI=1S/C3H3NO2/c4-1-2-3(5)6-2/h2-3,5H/t2-,3-/m1/s1",46.96164,12.92537,
5573,[O:1]([C@@:2]([C:3](=[O:4])[H:9])([C:5]#[N:6])[H:8])[H:7],[O:1]([c:2]1[c:3]([H:9])[o:4][n:6][c:5]1[H:8])[H:7],"InChI=1S/C3H3NO2/c4-1-3(6)2-5/h2-3,6H/t3-/m1/s1","InChI=1S/C3H3NO2/c5-3-1-4-6-2-3/h1-2,5H",62.664069999999995,17.672420000000002,
5574,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@:3]1([H:10])[C@@:4]1([H:11])[O:5][C@@:6]21[H:12],[C:1]([C@:3]1([H:10])[C:2]([H:8])([H:9])[C@@:6]2([H:12])[C@:4]1([H:11])[O:5]2)[H:7],"InChI=1S/C5H6O/c1-2-3(1)5-4(2)6-5/h2-5H,1H2/t2-,3+,4-,5+","InChI=1S/C5H6O/c1-3-2-4-5(3)6-4/h1,3-5H,2H2/t3-,4+,5-/m1/s1",61.94415,58.301840000000006,
5575,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@:3]1([H:10])[C@@:4]1([H:11])[O:5][C@@:6]21[H:12],[C:1]1([H:7])([H:8])[C:2][C@@:6]2([H:12])[C@@:4]([H:11])([C:3]1([H:9])[H:10])[O:5]2,"InChI=1S/C5H6O/c1-2-3(1)5-4(2)6-5/h2-5H,1H2/t2-,3+,4-,5+","InChI=1S/C5H6O/c1-2-4-5(3-1)6-4/h4-5H,1-2H2/t4-,5+/m1/s1",52.33846,27.58108,
5576,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@:3]1([H:10])[C@@:4]1([H:11])[O:5][C@@:6]21[H:12],[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@:3]1([H:10])[C:4][C@:6]2([O:5][H:11])[H:12],"InChI=1S/C5H6O/c1-2-3(1)5-4(2)6-5/h2-5H,1H2/t2-,3+,4-,5+","InChI=1S/C5H6O/c6-5-2-3-1-4(3)5/h3-6H,1H2/t3-,4-,5+/m0/s1",57.97419,27.993920000000003,
5577,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@:3]1([H:10])[C@@:4]1([H:11])[O:5][C@@:6]21[H:12],[C:1](=[C:2]([C@@:6]1([H:12])[C@:4]([C:3][H:10])([H:11])[O:5]1)[H:9])([H:7])[H:8],"InChI=1S/C5H6O/c1-2-3(1)5-4(2)6-5/h2-5H,1H2/t2-,3+,4-,5+","InChI=1S/C5H6O/c1-3-5-4(2)6-5/h2-5H,1H2/t4-,5+/m1/s1",48.39459,44.13077,
5578,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@:3]1([H:10])[C@@:4]1([H:11])[O:5][C@@:6]21[H:12],[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@:3]1([H:10])[C@:4]2([O+:5]=[C-:6][H:12])[H:11],"InChI=1S/C5H6O/c1-2-3(1)5-4(2)6-5/h2-5H,1H2/t2-,3+,4-,5+","InChI=1S/C5H6O/c1-6-5-3-2-4(3)5/h1,3-5H,2H2/t3-,4+,5-",62.883680000000005,38.25636,
5579,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@:3]1([H:10])[C@@:4]1([H:11])[O:5][C@@:6]21[H:12],[C:1](=[C:3](/[C:2](=[C:6](\[C:4](=[O:5])[H:11])[H:12])[H:9])[H:10])([H:7])[H:8],"InChI=1S/C5H6O/c1-2-3(1)5-4(2)6-5/h2-5H,1H2/t2-,3+,4-,5+","InChI=1S/C5H6O/c1-2-3-4-5-6/h2-5H,1H2/b4-3-",27.39075,-56.03451,
5580,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@:3]1([H:10])[C@@:4]1([H:11])[O:5][C@@:6]21[H:12],[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@:3]1([H:10])[C-:4]=[O+:5][C:6]2([H:11])[H:12],"InChI=1S/C5H6O/c1-2-3(1)5-4(2)6-5/h2-5H,1H2/t2-,3+,4-,5+","InChI=1S/C5H6O/c1-4-2-6-3-5(1)4/h4-5H,1-2H2/t4-,5+/m1/s1",52.881969999999995,-6.48299,
5581,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@:3]1([H:10])[C@@:4]1([H:11])[O:5][C@@:6]21[H:12],[C:1]1([H:7])([H:8])[C:2]([H:9])([H:12])[C:3]1([C@@:4]1([H:11])[O+:5]=[C-:6]1)[H:10],"InChI=1S/C5H6O/c1-2-3(1)5-4(2)6-5/h2-5H,1H2/t2-,3+,4-,5+","InChI=1S/C5H6O/c1-2-4(1)5-3-6-5/h4-5H,1-2H2/t5-/m0/s1",47.65184,13.273579999999999,
5582,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@:3]1([H:10])[C@@:4]1([H:11])[O:5][C@@:6]21[H:12],[C:1]1([H:7])([H:8])[C@:2]2([H:9])[C@@:3]1([H:10])[C:4][O+:5]=[C-:6]2.[H:11][H:12],"InChI=1S/C5H6O/c1-2-3(1)5-4(2)6-5/h2-5H,1H2/t2-,3+,4-,5+","InChI=1S/C5H4O.H2/c1-4-2-6-3-5(1)4;/h4-5H,1H2;1H/t4-,5+;",93.14941999999999,82.74216,
5583,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@:3]1([H:10])[C@@:4]1([H:11])[O:5][C@@:6]21[H:12],[C:1](=[C:3]([C@@:4]1([H:11])[O:5][C:6]1=[C:2]([H:9])[H:12])[H:10])([H:7])[H:8],"InChI=1S/C5H6O/c1-2-3(1)5-4(2)6-5/h2-5H,1H2/t2-,3+,4-,5+","InChI=1S/C5H6O/c1-3-5-4(2)6-5/h3,5H,1-2H2/t5-/m1/s1",95.11374,-27.583009999999998,
5584,[O:1]([C:2]([C@@:3]([O:4][H:11])([C:5](=[O:6])[H:12])[H:10])([H:8])[H:9])[H:7],[O:1]([C:2](/[C:3]([O:4][H:10])=[C:5](/[O:6][H:11])[H:12])([H:8])[H:9])[H:7],"InChI=1S/C3H6O3/c4-1-3(6)2-5/h1,3,5-6H,2H2/t3-/m0/s1","InChI=1S/C3H6O3/c4-1-3(6)2-5/h1,4-6H,2H2/b3-1-",59.70162,5.91046,ketoenol
5585,[O:1]([C:2]([C@@:3]([O:4][H:11])([C:5](=[O:6])[H:12])[H:10])([H:8])[H:9])[H:7],[O:1]([O:6][C@@:5]1([H:12])[C:2]([H:8])([H:9])[C@:3]1([O:4][H:11])[H:10])[H:7],"InChI=1S/C3H6O3/c4-1-3(6)2-5/h1,3,5-6H,2H2/t3-/m0/s1","InChI=1S/C3H6O3/c4-2-1-3(2)6-5/h2-5H,1H2/t2-,3+/m1/s1",99.00255,79.17614,
5586,[O:1]([C:2]([C@@:3]([O:4][H:11])([C:5](=[O:6])[H:12])[H:10])([H:8])[H:9])[H:7],[H:10][H:11].[O:1]([C:2]([C:3](=[O:4])[C:5](=[O:6])[H:12])([H:8])[H:9])[H:7],"InChI=1S/C3H6O3/c4-1-3(6)2-5/h1,3,5-6H,2H2/t3-/m0/s1","InChI=1S/C3H4O3.H2/c4-1-3(6)2-5;/h1,5H,2H2;1H",88.38655,29.844070000000002,
5587,[O:1]([C:2]([C@@:3]([O:4][H:11])([C:5](=[O:6])[H:12])[H:10])([H:8])[H:9])[H:7],[C:2]1([H:8])([H:9])[C@:3]([O:4][H:11])([H:10])[C:5]([H:12])[O:6]1.[O:1][H:7],"InChI=1S/C3H6O3/c4-1-3(6)2-5/h1,3,5-6H,2H2/t3-/m0/s1","InChI=1S/C3H5O2.HO/c4-3-1-5-2-3;/h1,3-4H,2H2;1H/t3-;/m0./s1",114.13485,118.3617,
5588,[O:1]([C:2]([C@@:3]([O:4][H:11])([C:5](=[O:6])[H:12])[H:10])([H:8])[H:9])[H:7],[O:1](/[C:2](=[C:3](\[C:5](=[O:6])[H:12])[H:10])[H:9])[H:7].[O:4]([H:8])[H:11],"InChI=1S/C3H6O3/c4-1-3(6)2-5/h1,3,5-6H,2H2/t3-/m0/s1",InChI=1S/C3H4O2.H2O/c4-2-1-3-5;/h1-4H;1H2/b2-1-;,62.69279,-7.60383,"1,3_Insertion_ROR"
5589,[O:1]([C:2]([C@@:3]([O:4][H:11])([C:5](=[O:6])[H:12])[H:10])([H:8])[H:9])[H:7],[C:2]([C:3](=[O:4])[C:5](=[O:6])[H:12])([H:8])([H:9])[H:10].[O:1]([H:7])[H:11],"InChI=1S/C3H6O3/c4-1-3(6)2-5/h1,3,5-6H,2H2/t3-/m0/s1","InChI=1S/C3H4O2.H2O/c1-3(5)2-4;/h2H,1H3;1H2",62.2644,7.13385,
5590,[O:1]([C:2]([C@@:3]([O:4][H:11])([C:5](=[O:6])[H:12])[H:10])([H:8])[H:9])[H:7],[O:1]([C:2]([C:3](=[O:4])[C:5]([O:6][H:11])([H:10])[H:12])([H:8])[H:9])[H:7],"InChI=1S/C3H6O3/c4-1-3(6)2-5/h1,3,5-6H,2H2/t3-/m0/s1","InChI=1S/C3H6O3/c4-1-3(6)2-5/h4-5H,1-2H2",36.06978,-2.6680099999999998,
5591,[O:1]([C:2]([C@@:3]([O:4][H:11])([C:5](=[O:6])[H:12])[H:10])([H:8])[H:9])[H:7],[O:1]1[C:2]([H:8])([H:9])[C@@:3]1([C:5](=[O:6])[H:12])[H:10].[O:4]([H:7])[H:11],"InChI=1S/C3H6O3/c4-1-3(6)2-5/h1,3,5-6H,2H2/t3-/m0/s1","InChI=1S/C3H4O2.H2O/c4-1-3-2-5-3;/h1,3H,2H2;1H2/t3-;/m0./s1",57.58041,28.496109999999998,
5592,[O:1]([C:2]([C@@:3]([O:4][H:11])([C:5](=[O:6])[H:12])[H:10])([H:8])[H:9])[H:7],[C:2](=[C:3]([O:4][H:11])[H:10])([H:8])[H:9].[O:1]([C:5](=[O:6])[H:12])[H:7],"InChI=1S/C3H6O3/c4-1-3(6)2-5/h1,3,5-6H,2H2/t3-/m0/s1","InChI=1S/C2H4O.CH2O2/c1-2-3;2-1-3/h2-3H,1H2;1H,(H,2,3)",48.940979999999996,0.26395,
5593,[O:1]([C:2]([C@@:3]([O:4][H:11])([C:5](=[O:6])[H:12])[H:10])([H:8])[H:9])[H:7],[C:5]([O:6][H:11])[H:12].[O:1]([C:2]([C:3](=[O:4])[H:10])([H:8])[H:9])[H:7],"InChI=1S/C3H6O3/c4-1-3(6)2-5/h1,3,5-6H,2H2/t3-/m0/s1","InChI=1S/C2H4O2.CH2O/c3-1-2-4;1-2/h1,4H,2H2;1-2H",55.30684,76.77441,
5594,[O:1]([C:2]([C@@:3]([O:4][H:11])([C:5](=[O:6])[H:12])[H:10])([H:8])[H:9])[H:7],[O:1]([C:2]([C@@:3]1([H:10])[O:4][C@@:5]1([O:6][H:11])[H:12])([H:8])[H:9])[H:7],"InChI=1S/C3H6O3/c4-1-3(6)2-5/h1,3,5-6H,2H2/t3-/m0/s1","InChI=1S/C3H6O3/c4-1-2-3(5)6-2/h2-5H,1H2/t2-,3+/m1/s1",46.72468,17.53057,
5595,[O:1]([C:2]([C@@:3]([O:4][H:11])([C:5](=[O:6])[H:12])[H:10])([H:8])[H:9])[H:7],[O:1]1[C:2]([H:8])([H:9])[C@:3]([O:4][H:11])([H:10])[C@:5]1([O:6][H:7])[H:12],"InChI=1S/C3H6O3/c4-1-3(6)2-5/h1,3,5-6H,2H2/t3-/m0/s1","InChI=1S/C3H6O3/c4-2-1-6-3(2)5/h2-5H,1H2/t2-,3+/m1/s1",45.65047,14.395489999999999,
5596,[O:1]([C:2]([C@@:3]([O:4][H:11])([C:5](=[O:6])[H:12])[H:10])([H:8])[H:9])[H:7],[C:3](\[O:4][H:11])(=[C:5](\[O:6][H:7])[H:12])[H:10].[O:1]=[C:2]([H:8])[H:9],"InChI=1S/C3H6O3/c4-1-3(6)2-5/h1,3,5-6H,2H2/t3-/m0/s1",InChI=1S/C2H4O2.CH2O/c3-1-2-4;1-2/h1-4H;1H2/b2-1-;,23.34923,26.0003,Retroene
5597,[O:1]([C:2]([C@@:3]([O:4][H:11])([C:5](=[O:6])[H:12])[H:10])([H:8])[H:9])[H:7],[H:7][H:8].[O:1]=[C:2]([C:3]([O:4][H:11])([C:5](=[O:6])[H:12])[H:10])[H:9],"InChI=1S/C3H6O3/c4-1-3(6)2-5/h1,3,5-6H,2H2/t3-/m0/s1","InChI=1S/C3H4O3.H2/c4-1-3(6)2-5;/h1-3,6H;1H",85.96183,25.05752,
5598,[O:1]([C:2]([C@@:3]([O:4][H:11])([C:5](=[O:6])[H:12])[H:10])([H:8])[H:9])[H:7],[O:1]([C:2]([C@@:3]([O:4][H:11])([C:5][O:6][H:12])[H:10])([H:8])[H:9])[H:7],"InChI=1S/C3H6O3/c4-1-3(6)2-5/h1,3,5-6H,2H2/t3-/m0/s1","InChI=1S/C3H6O3/c4-1-3(6)2-5/h3-6H,1H2/t3-/m1/s1",80.75869,56.57792,
5599,[O:1]([C:2]([C@@:3]([O:4][H:11])([C:5](=[O:6])[H:12])[H:10])([H:8])[H:9])[H:7],[O:1]([C:3]([C:2]([H:8])([H:9])[H:10])([O:4][H:11])[C:5](=[O:6])[H:12])[H:7],"InChI=1S/C3H6O3/c4-1-3(6)2-5/h1,3,5-6H,2H2/t3-/m0/s1","InChI=1S/C3H6O3/c1-3(5,6)2-4/h2,5-6H,1H3",78.5518,-8.83178,
5600,[O:1]([C:2]([C@@:3]([O:4][H:11])([C:5](=[O:6])[H:12])[H:10])([H:8])[H:9])[H:7],[C:2]([C@@:3]([O:4][H:11])([C:5](=[O:6])[H:12])[H:10])[H:9].[O:1]([H:7])[H:8],"InChI=1S/C3H6O3/c4-1-3(6)2-5/h1,3,5-6H,2H2/t3-/m0/s1","InChI=1S/C3H4O2.H2O/c1-3(5)2-4;/h1-3,5H;1H2/t3-;/m1./s1",74.97638,7.660410000000001,
5601,[O:1]([C:2]([C@@:3]([O:4][H:11])([C:5](=[O:6])[H:12])[H:10])([H:8])[H:9])[H:7],[C:3](=[O:4])([C:5](=[O:6])[H:12])[H:10].[H:7][H:11].[O:1]=[C:2]([H:8])[H:9],"InChI=1S/C3H6O3/c4-1-3(6)2-5/h1,3,5-6H,2H2/t3-/m0/s1",InChI=1S/C2H2O2.CH2O.H2/c3-1-2-4;1-2;/h1-2H;1H2;1H,67.90833,51.48346,
5602,[C:1]([C:2]([C:3]#[C:4][H:11])([C:5]#[C:6][H:12])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2]1([H:10])[C-:3]=[C:4]([H:11])[C:6]([H:12])=[C+:5]1)([H:7])([H:8])[H:9],"InChI=1S/C6H6/c1-4-6(3)5-2/h1-2,6H,3H3","InChI=1S/C6H6/c1-6-4-2-3-5-6/h2-3,6H,1H3",75.41056999999999,46.91049,
5603,[C:1]([C:2]([C:3]#[C:4][H:11])([C:5]#[C:6][H:12])[H:10])([H:7])([H:8])[H:9],[C:1]([C:6](=[C:5]=[C:2]([C:3]#[C:4][H:11])[H:10])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C6H6/c1-4-6(3)5-2/h1-2,6H,3H3","InChI=1S/C6H6/c1-3-5-6-4-2/h1,4-5H,2H3",66.36958,-12.91411,
5604,[C:1]([C:2]([C:3]#[C:4][H:11])([C:5]#[C:6][H:12])[H:10])([H:7])([H:8])[H:9],[C:1](/[C:2](=[C:3](/[C:4][H:11])[H:10])[C:5]#[C:6][H:12])([H:7])([H:8])[H:9],"InChI=1S/C6H6/c1-4-6(3)5-2/h1-2,6H,3H3","InChI=1S/C6H6/c1-4-6(3)5-2/h1-2,4H,3H3/b6-4-",53.49811999999999,48.006,
5605,[C:1]([C:2]([C:3]#[C:4][H:11])([C:5]#[C:6][H:12])[H:10])([H:7])([H:8])[H:9],[C:1]1([H:7])([H:8])[C:3]([C:2]([C:5]#[C:6][H:12])([H:9])[H:10])=[C:4]1[H:11],"InChI=1S/C6H6/c1-4-6(3)5-2/h1-2,6H,3H3","InChI=1S/C6H6/c1-2-3-6-4-5-6/h1,4H,3,5H2",105.59235,12.58774,
5606,[C:1]([C:2]([C:3]#[C:4][H:11])([C:5]#[C:6][H:12])[H:10])([H:7])([H:8])[H:9],[C:1]([C@@:2]([C:3]#[C:4][H:11])([C:6](=[C:5])[H:12])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C6H6/c1-4-6(3)5-2/h1-2,6H,3H3","InChI=1S/C6H6/c1-4-6(3)5-2/h1,5-6H,3H3/t6-/m0/s1",57.18638000000001,50.66545,Singlet_Carbene_Intra_Disproportionation
5607,[C:1]([C:2]([C:3]#[C:4][H:11])([C:5]#[C:6][H:12])[H:10])([H:7])([H:8])[H:9],[C:1]1([H:8])([H:9])[C@@:2]([C:5]#[C:6][H:12])([H:10])[C:3][C:4]1([H:7])[H:11],"InChI=1S/C6H6/c1-4-6(3)5-2/h1-2,6H,3H3","InChI=1S/C6H6/c1-2-6-4-3-5-6/h1,6H,3-4H2/t6-/m0/s1",90.71591,59.80752,
5608,[C:1]([C:2]([C:3]#[C:4][H:11])([C:5]#[C:6][H:12])[H:10])([H:7])([H:8])[H:9],[C:1](=[C:2](/[C:5](=[C:6](\[C:3]#[C:4][H:11])[H:12])[H:9])[H:10])([H:7])[H:8],"InChI=1S/C6H6/c1-4-6(3)5-2/h1-2,6H,3H3","InChI=1S/C6H6/c1-3-5-6-4-2/h1,4-6H,2H2/b6-5-",105.61984,-27.22611,
5609,[C:1]([C:2]([C:3]#[C:4][H:11])([C:5]#[C:6][H:12])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]#[C:4][H:11])=[C:5]=[C:6]([H:10])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C6H6/c1-4-6(3)5-2/h1-2,6H,3H3","InChI=1S/C6H6/c1-4-6(3)5-2/h1H,2H2,3H3",58.925630000000005,-13.378110000000001,
5610,[C:1]([C:2]([C:3]([C:4]([C:5]#[C:6][H:16])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([C:4]([C:6](=[C:5])[H:16])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-3-5-6-4-2/h1H,4-6H2,2H3","InChI=1S/C6H10/c1-3-5-6-4-2/h4H,3,5-6H2,1H3",58.17256999999999,52.26174,Singlet_Carbene_Intra_Disproportionation
5611,[C:1]([C:2]([C:3]([C:4]([C:5]#[C:6][H:16])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C@@:3]1([H:12])[C:4]([H:14])([H:15])[C:5]1=[C:6]([H:13])[H:16])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-3-5-6-4-2/h1H,4-6H2,2H3","InChI=1S/C6H10/c1-3-6-4-5(6)2/h6H,2-4H2,1H3/t6-/m0/s1",75.67783,-0.35848,
5612,[C:1]([C:2]([C:3]([C:4]([C:5]#[C:6][H:16])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]([H:12])[H:13])[H:10])([H:7])([H:8])[H:9].[C:4](=[C:5]=[C:6]([H:11])[H:16])([H:14])[H:15],"InChI=1S/C6H10/c1-3-5-6-4-2/h1H,4-6H2,2H3","InChI=1S/C3H6.C3H4/c2*1-3-2/h3H,1H2,2H3;1-2H2",41.34498,15.02147,Retroene
5613,[C:1]([C:2]([C:3]([C:4]([C:5]#[C:6][H:16])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3](/[C:4](=[C:5](\[C:6][H:16])[H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-3-5-6-4-2/h1H,4-6H2,2H3","InChI=1S/C6H10/c1-3-5-6-4-2/h1,3,5H,4,6H2,2H3/b5-3-",65.6804,57.57975,
5614,[C:1]([C:2]([C:3]([C:4]([C:5]#[C:6][H:16])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([C:4](=[C:5]=[C:6]([H:14])[H:16])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-3-5-6-4-2/h1H,4-6H2,2H3","InChI=1S/C6H10/c1-3-5-6-4-2/h5H,1,4,6H2,2H3",69.15719,-6.08747,
5615,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[O:4][C@:5]1([C:6]([H:14])([H:15])[H:16])[H:13])([H:7])([H:8])[H:9],[C:1]1([H:7])([H:9])[C@@:2]2([H:10])[C@:3]1([H:11])[O:4][C@:5]2([C:6]([H:14])([H:15])[H:16])[H:13].[H:8][H:12],"InChI=1S/C5H10O/c1-4-3-6-5(4)2/h4-5H,3H2,1-2H3/t4-,5-/m0/s1","InChI=1S/C5H8O.H2/c1-3-4-2-5(4)6-3;/h3-5H,2H2,1H3;1H/t3-,4+,5+;/m0./s1",94.2355,41.900090000000006,
5616,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[O:4][C@:5]1([C:6]([H:14])([H:15])[H:16])[H:13])([H:7])([H:8])[H:9],[C:1](/[C:2](=[C:5](\[C:6]([H:14])([H:15])[H:16])[H:13])[H:10])([H:7])([H:8])[H:9].[C:3](=[O:4])([H:11])[H:12],"InChI=1S/C5H10O/c1-4-3-6-5(4)2/h4-5H,3H2,1-2H3/t4-,5-/m0/s1","InChI=1S/C4H8.CH2O/c1-3-4-2;1-2/h3-4H,1-2H3;1H2/b4-3-;",51.5328,6.8044,2+2_cycloaddition
5617,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[O:4][C@:5]1([C:6]([H:14])([H:15])[H:16])[H:13])([H:7])([H:8])[H:9],[C:1]([C@@:2]([C:3]([O:4][H:16])([H:11])[H:12])([C:5](=[C:6]([H:14])[H:15])[H:13])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-4-3-6-5(4)2/h4-5H,3H2,1-2H3/t4-,5-/m0/s1","InChI=1S/C5H10O/c1-3-5(2)4-6/h3,5-6H,1,4H2,2H3/t5-/m1/s1",54.00841,-8.79389,
5618,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[O:4][C@:5]1([C:6]([H:14])([H:15])[H:16])[H:13])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]([H:11])[H:12])[C@@:5]([O:4][H:10])([C:6]([H:14])([H:15])[H:16])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-4-3-6-5(4)2/h4-5H,3H2,1-2H3/t4-,5-/m0/s1","InChI=1S/C5H10O/c1-4(2)5(3)6/h5-6H,1H2,2-3H3/t5-/m0/s1",86.41546,-13.35856,
5619,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[O:4][C@:5]1([C:6]([H:14])([H:15])[H:16])[H:13])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]([H:11])[H:12])[H:10])([H:7])([H:8])[H:9].[O:4]=[C:5]([C:6]([H:14])([H:15])[H:16])[H:13],"InChI=1S/C5H10O/c1-4-3-6-5(4)2/h4-5H,3H2,1-2H3/t4-,5-/m0/s1","InChI=1S/C3H6.C2H4O/c1-3-2;1-2-3/h3H,1H2,2H3;2H,1H3",52.64238,-0.2372,2+2_cycloaddition
5620,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[O:4][C@:5]1([C:6]([H:14])([H:15])[H:16])[H:13])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([O:4][C:5](=[C:6]([H:14])[H:15])[H:13])([H:11])[H:12])([H:8])[H:10])([H:7])([H:9])[H:16],"InChI=1S/C5H10O/c1-4-3-6-5(4)2/h4-5H,3H2,1-2H3/t4-,5-/m0/s1","InChI=1S/C5H10O/c1-3-5-6-4-2/h4H,2-3,5H2,1H3",92.98825,-2.87017,
5621,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[O:4][C@:5]1([C:6]([H:14])([H:15])[H:16])[H:13])([H:7])([H:8])[H:9],[C:1]([C@@:2]([C:3][H:11])([C@@:5]([O:4][H:12])([C:6]([H:14])([H:15])[H:16])[H:13])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-4-3-6-5(4)2/h4-5H,3H2,1-2H3/t4-,5-/m0/s1","InChI=1S/C5H10O/c1-4(2)5(3)6/h1,4-6H,2-3H3/t4-,5+/m1/s1",73.56488,73.74977,
5622,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[O:4][C@:5]1([C:6]([H:14])([H:15])[H:16])[H:13])([H:7])([H:8])[H:9],[C:1]([C:2]([C@@:5]([O+:4]=[C-:3][H:12])([C:6]([H:14])([H:15])[H:16])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-4-3-6-5(4)2/h4-5H,3H2,1-2H3/t4-,5-/m0/s1","InChI=1S/C5H10O/c1-4-5(2)6-3/h3,5H,4H2,1-2H3/t5-/m0/s1",76.41572,46.91356,
5623,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[O:4][C@:5]1([C:6]([H:14])([H:15])[H:16])[H:13])([H:7])([H:8])[H:9],[C:1]1([H:7])([H:9])[C:2]([C@@:5]([O:4][H:8])([C:6]([H:14])([H:15])[H:16])[H:13])([H:10])[C:3]1([H:11])[H:12],"InChI=1S/C5H10O/c1-4-3-6-5(4)2/h4-5H,3H2,1-2H3/t4-,5-/m0/s1","InChI=1S/C5H10O/c1-4(6)5-2-3-5/h4-6H,2-3H2,1H3/t4-/m0/s1",89.02415,-4.12209,
5624,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[O:4][C@:5]1([C:6]([H:14])([H:15])[H:16])[H:13])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C-:3]=[O+:4][C@:5]1([C:6]([H:14])([H:15])[H:16])[H:13])([H:7])([H:8])[H:9].[H:11][H:12],"InChI=1S/C5H10O/c1-4-3-6-5(4)2/h4-5H,3H2,1-2H3/t4-,5-/m0/s1","InChI=1S/C5H8O.H2/c1-4-3-6-5(4)2;/h4-5H,1-2H3;1H/t4-,5-;/m0./s1",74.21894,68.86462,
5625,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[O:4][C@:5]1([C:6]([H:14])([H:15])[H:16])[H:13])([H:7])([H:8])[H:9],[C:1]([C@@:2]([C:3]([O:4][H:13])([H:11])[H:12])([C:5][C:6]([H:14])([H:15])[H:16])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-4-3-6-5(4)2/h4-5H,3H2,1-2H3/t4-,5-/m0/s1","InChI=1S/C5H10O/c1-3-5(2)4-6/h5-6H,4H2,1-2H3/t5-/m1/s1",67.13045,60.51526,
5626,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[O:4][C@:5]1([C:6]([H:14])([H:15])[H:16])[H:13])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([C:5](=[C:6]([H:14])[H:15])[H:13])[C:3]([H:11])([H:12])[O:4]1)([H:7])([H:8])[H:9].[H:10][H:16],"InChI=1S/C5H10O/c1-4-3-6-5(4)2/h4-5H,3H2,1-2H3/t4-,5-/m0/s1","InChI=1S/C5H8O.H2/c1-3-5(2)4-6-5;/h3H,1,4H2,2H3;1H/t5-;/m1./s1",104.64573,28.898770000000003,
5627,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[O:4][C@:5]1([C:6]([H:14])([H:15])[H:16])[H:13])([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:11].[C:2]1([H:10])=[C:3]([H:12])[O:4][C@:5]1([C:6]([H:14])([H:15])[H:16])[H:13],"InChI=1S/C5H10O/c1-4-3-6-5(4)2/h4-5H,3H2,1-2H3/t4-,5-/m0/s1","InChI=1S/C4H6O.CH4/c1-4-2-3-5-4;/h2-4H,1H3;1H4/t4-;/m0./s1",93.94088,19.40229,
5628,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[O:4][C@:5]1([C:6]([H:14])([H:15])[H:16])[H:13])([H:7])([H:8])[H:9],[C:1]([C:2][C@@:5]([O:4][C:3]([H:10])([H:11])[H:12])([C:6]([H:14])([H:15])[H:16])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-4-3-6-5(4)2/h4-5H,3H2,1-2H3/t4-,5-/m0/s1","InChI=1S/C5H10O/c1-4-5(2)6-3/h5H,1-3H3/t5-/m0/s1",79.73591,73.52669,
5629,[N:1]([C:2](=[C:3]([N+:4]#[N:5])[H:9])[O-:6])([H:7])[H:8],[C:3](=[N+:4]=[N-:5])([H:7])[H:9].[N:1](=[C:2]=[O:6])[H:8],"InChI=1S/C2H3N3O/c3-2(6)1-5-4/h1H,3H2",InChI=1S/CH2N2.CHNO/c1-3-2;2-1-3/h1H2;2H,45.74149,22.51673,
5630,[N:1]([C:2](=[C:3]([N+:4]#[N:5])[H:9])[O-:6])([H:7])[H:8],[N:1]([C:2]([C:3]1([H:9])[N:4]=[N:5]1)=[O:6])([H:7])[H:8],"InChI=1S/C2H3N3O/c3-2(6)1-5-4/h1H,3H2","InChI=1S/C2H3N3O/c3-1(6)2-4-5-2/h2H,(H2,3,6)",52.36704,25.96493,
5631,[N:1]([C:2](=[C:3]([N+:4]#[N:5])[H:9])[O-:6])([H:7])[H:8],[n:1]1([H:7])[c:2](=[O:6])[c:3]([H:9])[n:4][n:5]1[H:8],"InChI=1S/C2H3N3O/c3-2(6)1-5-4/h1H,3H2","InChI=1S/C2H3N3O/c6-2-1-3-5-4-2/h1H,(H2,3,4,5,6)",54.08195,18.93931,
5632,[N:1]([C:2](=[C:3]([N+:4]#[N:5])[H:9])[O-:6])([H:7])[H:8],[N:1](=[C:2](\[C-:3]([N+:4]#[N:5])[H:9])[O:6][H:7])\[H:8],"InChI=1S/C2H3N3O/c3-2(6)1-5-4/h1H,3H2","InChI=1S/C2H3N3O/c3-2(6)1-5-4/h1H,(H2,3,6)",40.046859999999995,12.68254,
5633,[N:1]([C:2](=[C:3]([N+:4]#[N:5])[H:9])[O-:6])([H:7])[H:8],[N:1]1([H:7])[C@@:2]([C:3](=[N+:4]=[N-:5])[H:9])([H:8])[O:6]1,"InChI=1S/C2H3N3O/c3-2(6)1-5-4/h1H,3H2","InChI=1S/C2H3N3O/c3-4-1-2-5-6-2/h1-2,5H/t2-/m0/s1",111.561,84.30428,
5634,[N:1]([C:2](=[C:3]([N+:4]#[N:5])[H:9])[O-:6])([H:7])[H:8],[N:1]([C:2]([C:3]#[N+:4][N-:5][H:9])=[O:6])([H:7])[H:8],"InChI=1S/C2H3N3O/c3-2(6)1-5-4/h1H,3H2","InChI=1S/C2H3N3O/c3-2(6)1-5-4/h4H,(H2,3,6)",82.84358,27.57025,
5635,[N:1]([C:2](=[C:3]([N+:4]#[N:5])[H:9])[O-:6])([H:7])[H:8],[N:1]([C:2](=[C:3]=[N+:4]=[N-:5])[O:6][H:9])([H:7])[H:8],"InChI=1S/C2H3N3O/c3-2(6)1-5-4/h1H,3H2","InChI=1S/C2H3N3O/c3-2(6)1-5-4/h6H,3H2",45.74119,24.80459,
5636,[N:1]([C:2](=[C:3]([N+:4]#[N:5])[H:9])[O-:6])([H:7])[H:8],[H:8][H:9].[N:1](=[C:2]1/[C-:3]([N+:4]#[N:5])[O:6]1)\[H:7],"InChI=1S/C2H3N3O/c3-2(6)1-5-4/h1H,3H2",InChI=1S/C2HN3O.H2/c3-1-2(5-4)6-1;/h3H;1H/b3-1-;,106.16216000000001,88.42805,
5637,[N:1]([C:2](=[C:3]([N+:4]#[N:5])[H:9])[O-:6])([H:7])[H:8],[C:2](=[C:3]=[N+:4]=[N-:5])=[O:6].[N:1]([H:7])([H:8])[H:9],"InChI=1S/C2H3N3O/c3-2(6)1-5-4/h1H,3H2",InChI=1S/C2N2O.H3N/c3-4-1-2-5;/h;1H3,48.37997,32.090759999999996,"1,3_NH3_elimination"
5638,[N:1]([C:2](=[C:3]([N+:4]#[N:5])[H:9])[O-:6])([H:7])[H:8],[N:1]([C:2]/[C:3](=[N:4]\[N:5]=[O:6])[H:9])([H:7])[H:8],"InChI=1S/C2H3N3O/c3-2(6)1-5-4/h1H,3H2","InChI=1S/C2H3N3O/c3-1-2-4-5-6/h2H,3H2/b4-2-",104.08325,99.22544,
5639,[O:1]([c:2]1[n:3][c:4]([H:8])[c:5]([H:9])[n:6]1[H:10])[H:7],[O:1]=[c:2]1[n:3]([H:7])[c:4]([H:8])[c:5]([H:9])[n:6]1[H:10],"InChI=1S/C3H4N2O/c6-3-4-1-2-5-3/h1-2H,(H2,4,5,6)","InChI=1S/C3H4N2O/c6-3-4-1-2-5-3/h1-2H,(H2,4,5,6)",34.7785,-7.58162,ketoenol
5640,[O:1]([c:2]1[n:3][c:4]([H:8])[c:5]([H:9])[n:6]1[H:10])[H:7],[O:1]([C:2]1=[N+:3]=[C-:4][C:5]([H:8])([H:9])[N:6]1[H:10])[H:7],"InChI=1S/C3H4N2O/c6-3-4-1-2-5-3/h1-2H,(H2,4,5,6)","InChI=1S/C3H4N2O/c6-3-4-1-2-5-3/h4,6H,1H2",71.25581,59.20401,Singlet_Carbene_Intra_Disproportionation
5641,[O:1]([c:2]1[n:3][c:4]([H:8])[c:5]([H:9])[n:6]1[H:10])[H:7],[O:1]([C:2]1=[N:6][C:5]([H:9])([H:10])[C:4]([H:8])=[N:3]1)[H:7],"InChI=1S/C3H4N2O/c6-3-4-1-2-5-3/h1-2H,(H2,4,5,6)","InChI=1S/C3H4N2O/c6-3-4-1-2-5-3/h1H,2H2,(H,5,6)",45.48946,11.835360000000001,
5642,[O:1]([c:2]1[n:3][c:4]([H:8])[c:5]([H:9])[n:6]1[H:10])[H:7],[O:1]([C:2]1([H:10])[N:3]=[C:4]([H:8])[C:5]([H:9])=[N:6]1)[H:7],"InChI=1S/C3H4N2O/c6-3-4-1-2-5-3/h1-2H,(H2,4,5,6)","InChI=1S/C3H4N2O/c6-3-4-1-2-5-3/h1-3,6H",50.07808,26.35946,
5644,[O:1]([c:2]1[n:3][c:4]([H:8])[c:5]([H:9])[n:6]1[H:10])[H:7],[O:1]([C:2]1=[N:3][C:4]([H:8])([H:9])[C-:5]=[N+:6]1[H:10])[H:7],"InChI=1S/C3H4N2O/c6-3-4-1-2-5-3/h1-2H,(H2,4,5,6)","InChI=1S/C3H4N2O/c6-3-4-1-2-5-3/h5H,1H2,(H,4,6)",57.718090000000004,47.08132,Singlet_Carbene_Intra_Disproportionation
5645,[O:1]([c:2]1[n:3][c:4]([H:8])[c:5]([H:9])[n:6]1[H:10])[H:7],[O:1]([c+:2]1[n:3]([H:8])[c-:4][c:5]([H:9])[n:6]1[H:10])[H:7],"InChI=1S/C3H4N2O/c6-3-4-1-2-5-3/h1-2H,(H2,4,5,6)","InChI=1S/C3H4N2O/c6-3-4-1-2-5-3/h1,4-6H",83.47616,58.017880000000005,
5646,[O:1]([c:2]1[n:3][c:4]([H:8])[c:5]([H:9])[n:6]1[H:10])[H:7],[O:1]([C:2]([N:3]=[C:4]=[C:5]([H:8])[H:9])=[N:6][H:10])[H:7],"InChI=1S/C3H4N2O/c6-3-4-1-2-5-3/h1-2H,(H2,4,5,6)","InChI=1S/C3H4N2O/c1-2-5-3(4)6/h1H2,(H2,4,6)",86.46913,27.7589,
5647,[O:1]([c:2]1[n:3][c:4]([H:8])[c:5]([H:9])[n:6]1[H:10])[H:7],[O:1]([C@@:2]12[N:3]=[C:4]([H:8])[C@:5]1([H:9])[N:6]2[H:10])[H:7],"InChI=1S/C3H4N2O/c6-3-4-1-2-5-3/h1-2H,(H2,4,5,6)","InChI=1S/C3H4N2O/c6-3-2(5-3)1-4-3/h1-2,5-6H/t2-,3+/m0/s1",87.62727,78.91794,
5648,[O:1]([c:2]1[n:3][c:4]([H:8])[c:5]([H:9])[n:6]1[H:10])[H:7],[O:1]([C@:5]1([H:9])[C:4]([H:8])=[N+:3]=[C-:2][N:6]1[H:10])[H:7],"InChI=1S/C3H4N2O/c6-3-4-1-2-5-3/h1-2H,(H2,4,5,6)","InChI=1S/C3H4N2O/c6-3-1-4-2-5-3/h1,3,5-6H/t3-/m1/s1",126.57258999999999,67.81054,
5649,[O:1]([c:2]1[n:3][c:4]([H:8])[c:5]([H:9])[n:6]1[H:10])[H:7],[O:1]([C:2]1=[N:3][C:4]([H:8])=[C-:5][N+:6]1([H:9])[H:10])[H:7],"InChI=1S/C3H4N2O/c6-3-4-1-2-5-3/h1-2H,(H2,4,5,6)","InChI=1S/C3H4N2O/c6-3-4-1-2-5-3/h1H,5H2,(H,4,6)",88.20656,81.63363000000001,
5650,[O:1]([c:2]1[n:3][c:4]([H:8])[c:5]([H:9])[n:6]1[H:10])[H:7],[O:1]([C:2]1=[N:3][C@@:4]1(/[C:5](=[N:6]/[H:10])[H:9])[H:8])[H:7],"InChI=1S/C3H4N2O/c6-3-4-1-2-5-3/h1-2H,(H2,4,5,6)","InChI=1S/C3H4N2O/c4-1-2-3(6)5-2/h1-2,4H,(H,5,6)/b4-1+/t2-/m1/s1",91.59225,51.86957,
5651,[O:1]([c:2]1[n:3][c:4]([H:8])[c:5]([H:9])[n:6]1[H:10])[H:7],[O:1]([C-:2]=[N+:3]=[C:4](/[C:5](=[N:6]\[H:10])[H:9])[H:8])[H:7],"InChI=1S/C3H4N2O/c6-3-4-1-2-5-3/h1-2H,(H2,4,5,6)","InChI=1S/C3H4N2O/c4-1-2-5-3-6/h1-2,4,6H/b4-1-",62.35329,55.642669999999995,
5652,[C:1]([C:2]1([H:8])[C:3]([H:9])([H:10])[C:4]1([H:11])[H:12])([H:5])([H:6])[H:7],[C:1]([H:5])([H:6])([H:7])[H:12].[C:2]1([H:8])=[C:4]([H:11])[C:3]1([H:9])[H:10],"InChI=1S/C4H8/c1-4-2-3-4/h4H,2-3H2,1H3","InChI=1S/C3H4.CH4/c1-2-3-1;/h1-2H,3H2;1H4",117.09326000000001,42.64065,
5653,[C:1]([C:2]1([H:8])[C:3]([H:9])([H:10])[C:4]1([H:11])[H:12])([H:5])([H:6])[H:7],[C:1]([H:5])([H:6])([H:7])[H:8].[C:2]1[C:3]([H:9])([H:10])[C:4]1([H:11])[H:12],"InChI=1S/C4H8/c1-4-2-3-4/h4H,2-3H2,1H3",InChI=1S/C3H4.CH4/c1-2-3-1;/h1-2H2;1H4,87.74458,93.13119,
5654,[C:1]([C:2]1([H:8])[C:3]([H:9])([H:10])[C:4]1([H:11])[H:12])([H:5])([H:6])[H:7],[C:1]([C:2][C:3]([C:4]([H:8])([H:11])[H:12])([H:9])[H:10])([H:5])([H:6])[H:7],"InChI=1S/C4H8/c1-4-2-3-4/h4H,2-3H2,1H3","InChI=1S/C4H8/c1-3-4-2/h3H2,1-2H3",66.05176999999999,67.554,
5655,[C:1]([C:2]1([H:8])[C:3]([H:9])([H:10])[C:4]1([H:11])[H:12])([H:5])([H:6])[H:7],[C:1]([C:2]1=[C:4]([H:12])[C:3]1([H:9])[H:10])([H:5])([H:6])[H:7].[H:8][H:11],"InChI=1S/C4H8/c1-4-2-3-4/h4H,2-3H2,1H3","InChI=1S/C4H6.H2/c1-4-2-3-4;/h2H,3H2,1H3;1H",117.56837,49.830459999999995,
5656,[O:1]([C:2]([C:3]([C:4]1([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:10])[H:11])([H:8])[H:9])[H:7],[O:1]([C@@:3]([C:2]([H:8])([H:9])[H:10])([C:4]1([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])[H:11])[H:7],"InChI=1S/C5H10O/c6-4-3-5-1-2-5/h5-6H,1-4H2","InChI=1S/C5H10O/c1-4(6)5-2-3-5/h4-6H,2-3H2,1H3/t4-/m0/s1",90.13068,-3.42372,
5657,[O:1]([C:2]([C:3]([C:4]1([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:10])[H:11])([H:8])[H:9])[H:7],[C:3]1([H:10])([H:11])[C:4]([H:7])([H:12])[C:6]([H:15])([H:16])[C:5]1([H:13])[H:14].[O:1]=[C:2]([H:8])[H:9],"InChI=1S/C5H10O/c6-4-3-5-1-2-5/h5-6H,1-4H2",InChI=1S/C4H8.CH2O/c1-2-4-3-1;1-2/h1-4H2;1H2,67.16816999999999,17.46095,
5658,[O:1]([C:2]([C:3]([C:4]1([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:10])[H:11])([H:8])[H:9])[H:7],[C:3](=[C:4]([C:5]([C:6]([H:7])([H:15])[H:16])([H:13])[H:14])[H:12])([H:10])[H:11].[O:1]=[C:2]([H:8])[H:9],"InChI=1S/C5H10O/c6-4-3-5-1-2-5/h5-6H,1-4H2","InChI=1S/C4H8.CH2O/c1-3-4-2;1-2/h3H,1,4H2,2H3;1H2",43.8505,10.37619,
5659,[O:1]([C:2]([C:3]([C:4]1([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:10])[H:11])([H:8])[H:9])[H:7],[O:1]([C+:2]([C:3]([C-:4]([C:5]([C:6]([H:9])([H:15])[H:16])([H:13])[H:14])[H:12])([H:10])[H:11])[H:8])[H:7],"InChI=1S/C5H10O/c6-4-3-5-1-2-5/h5-6H,1-4H2","InChI=1S/C5H10O/c1-2-3-4-5-6/h3,5-6H,2,4H2,1H3",74.70518,65.12983,
5660,[O:1]([C:2]([C:3]([C:4]1([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:10])[H:11])([H:8])[H:9])[H:7],[H:10][H:15].[O:1]([C:2](/[C:3](=[C:4](\[C:6](=[C:5]([H:13])[H:14])[H:16])[H:12])[H:11])([H:8])[H:9])[H:7],"InChI=1S/C5H10O/c6-4-3-5-1-2-5/h5-6H,1-4H2","InChI=1S/C5H8O.H2/c1-2-3-4-5-6;/h2-4,6H,1,5H2;1H/b4-3-;",94.80619,22.090510000000002,
5661,[O:1]([C:2]([C:3]([C:4]1([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:10])[H:11])([H:8])[H:9])[H:7],[O:1]([C:2]([C:3]([C@:4]([C:5]([H:13])([H:14])[H:16])([C:6][H:15])[H:12])([H:10])[H:11])([H:8])[H:9])[H:7],"InChI=1S/C5H10O/c6-4-3-5-1-2-5/h5-6H,1-4H2","InChI=1S/C5H10O/c1-5(2)3-4-6/h1,5-6H,3-4H2,2H3/t5-/m0/s1",68.05758,66.83322,
5662,[O:1]([C:2]([C:3]([C:4]1([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:10])[H:11])([H:8])[H:9])[H:7],[C:4](=[C:5]([H:13])[H:14])([C:6]([H:9])([H:15])[H:16])[H:12].[O:1]([C:2](=[C:3]([H:10])[H:11])[H:8])[H:7],"InChI=1S/C5H10O/c6-4-3-5-1-2-5/h5-6H,1-4H2","InChI=1S/C3H6.C2H4O/c1-3-2;1-2-3/h3H,1H2,2H3;2-3H,1H2",65.42607,7.82777,
5663,[O:1]([C:2]([C:3]([C:4]1([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:10])[H:11])([H:8])[H:9])[H:7],[C:3](=[C:4]1[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:10])[H:11].[H:7][H:12].[O:1]=[C:2]([H:8])[H:9],"InChI=1S/C5H10O/c6-4-3-5-1-2-5/h5-6H,1-4H2",InChI=1S/C4H6.CH2O.H2/c1-4-2-3-4;1-2;/h1-3H2;1H2;1H,71.47674,54.78164,
5664,[O:1]([C:2]([C:3]([C:4]1([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:10])[H:11])([H:8])[H:9])[H:7],[C:4]1([H:12])=[C:6]([H:16])[C:5]1([H:13])[H:14].[H:9][H:15].[O:1]([C:2](=[C:3]([H:10])[H:11])[H:8])[H:7],"InChI=1S/C5H10O/c6-4-3-5-1-2-5/h5-6H,1-4H2","InChI=1S/C3H4.C2H4O.H2/c1-2-3-1;1-2-3;/h1-2H,3H2;2-3H,1H2;1H",91.69615999999999,70.71842,
5665,[O:1]([C:2]([C:3]([C:4]1([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:10])[H:11])([H:8])[H:9])[H:7],[C:3]([C:4]1([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:9])([H:10])[H:11].[O:1]([C:2][H:8])[H:7],"InChI=1S/C5H10O/c6-4-3-5-1-2-5/h5-6H,1-4H2","InChI=1S/C4H8.CH2O/c1-4-2-3-4;1-2/h4H,2-3H2,1H3;1-2H",73.68046,75.67486,
5666,[O:1]([C:2]([C:3]([C:4]1([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:10])[H:11])([H:8])[H:9])[H:7],[H:7][H:9].[O:1]=[C:2]([C:3]([C:4]1([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:10])[H:11])[H:8],"InChI=1S/C5H10O/c6-4-3-5-1-2-5/h5-6H,1-4H2","InChI=1S/C5H8O.H2/c6-4-3-5-1-2-5;/h4-5H,1-3H2;1H",81.21082,19.46121,
5667,[O:1]([C:2]([C:3]([C:4]1([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:10])[H:11])([H:8])[H:9])[H:7],[C:2](=[C:3]([C:4]1([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])[H:11])([H:8])[H:9].[O:1]([H:7])[H:10],"InChI=1S/C5H10O/c6-4-3-5-1-2-5/h5-6H,1-4H2","InChI=1S/C5H8.H2O/c1-2-5-3-4-5;/h2,5H,1,3-4H2;1H2",62.20991,10.15517,"1,3_Insertion_ROR"
5668,[O:1]([C:2]([C:3]([C:4]1([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:10])[H:11])([H:8])[H:9])[H:7],[O:1]([C:2]([C:3]([C:4][C:6]([C:5]([H:12])([H:13])[H:14])([H:15])[H:16])([H:10])[H:11])([H:8])[H:9])[H:7],"InChI=1S/C5H10O/c6-4-3-5-1-2-5/h5-6H,1-4H2","InChI=1S/C5H10O/c1-2-3-4-5-6/h6H,2,4-5H2,1H3",63.17139,63.18755,
5669,[O:1]([C:2]([C:3]([C:4]1([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:10])[H:11])([H:8])[H:9])[H:7],[C:2]1([H:8])([H:9])[C:3]([H:10])([H:11])[C@:4]2([H:12])[C:5]([H:13])([H:14])[C@:6]12[H:16].[O:1]([H:7])[H:15],"InChI=1S/C5H10O/c6-4-3-5-1-2-5/h5-6H,1-4H2","InChI=1S/C5H8.H2O/c1-2-5-3-4(1)5;/h4-5H,1-3H2;1H2/t4-,5+;",90.63483000000001,19.276020000000003,
5670,[O:1]([C:2]([C:3]([C:4]1([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:10])[H:11])([H:8])[H:9])[H:7],[C:4]1([H:7])([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16].[O:1]=[C:2]([C:3]([H:9])([H:10])[H:11])[H:8],"InChI=1S/C5H10O/c6-4-3-5-1-2-5/h5-6H,1-4H2","InChI=1S/C3H6.C2H4O/c1-2-3-1;1-2-3/h1-3H2;2H,1H3",79.26483,9.4038,
5671,[O:1]([C:2]([C:3]([C:4]1([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:10])[H:11])([H:8])[H:9])[H:7],[C:5](=[C:6]([H:15])[H:16])([H:13])[H:14].[O:1]([C:2]([C:3](=[C:4]([H:10])[H:12])[H:11])([H:8])[H:9])[H:7],"InChI=1S/C5H10O/c6-4-3-5-1-2-5/h5-6H,1-4H2","InChI=1S/C3H6O.C2H4/c1-2-3-4;1-2/h2,4H,1,3H2;1-2H2",83.32282,18.07818,
5672,[C:1]([C@@:2]1([C:3]([O:4][H:12])([H:10])[H:11])[C:5]([H:13])([H:14])[O:6]1)([H:7])([H:8])[H:9],[C:1](/[C:2](=[C:3](/[O:4][H:12])[H:11])[H:10])([H:7])([H:8])[H:9].[C:5](=[O:6])([H:13])[H:14],"InChI=1S/C4H8O2/c1-4(2-5)3-6-4/h5H,2-3H2,1H3/t4-/m1/s1","InChI=1S/C3H6O.CH2O/c1-2-3-4;1-2/h2-4H,1H3;1H2/b3-2+;",60.0434,5.225569999999999,
5673,[C:1]([C@@:2]1([C:3]([O:4][H:12])([H:10])[H:11])[C:5]([H:13])([H:14])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C:5]([O+:6]=[C-:2][C:3]([O:4][H:12])([H:10])[H:11])([H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-4(2-5)3-6-4/h5H,2-3H2,1H3/t4-/m1/s1","InChI=1S/C4H8O2/c1-2-6-4-3-5/h5H,2-3H2,1H3",98.62465999999999,43.5317,
5674,[C:1]([C@@:2]1([C:3]([O:4][H:12])([H:10])[H:11])[C:5]([H:13])([H:14])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C@@:2]([C:3]([O:4][H:12])([H:10])[H:11])([C:5][H:14])[O:6][H:13])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-4(2-5)3-6-4/h5H,2-3H2,1H3/t4-/m1/s1","InChI=1S/C4H8O2/c1-4(2,6)3-5/h1,5-6H,3H2,2H3/t4-/m1/s1",70.10924,69.19086999999999,
5675,[C:1]([C@@:2]1([C:3]([O:4][H:12])([H:10])[H:11])[C:5]([H:13])([H:14])[O:6]1)([H:7])([H:8])[H:9],[C:1](=[C:2]1[C:3]([H:10])([H:11])[O:6][C:5]1([H:13])[H:14])([H:7])[H:9].[O:4]([H:8])[H:12],"InChI=1S/C4H8O2/c1-4(2-5)3-6-4/h5H,2-3H2,1H3/t4-/m1/s1",InChI=1S/C4H6O.H2O/c1-4-2-5-3-4;/h1-3H2;1H2,75.22259,19.42822,
5676,[C:1]([C@@:2]1([C:3]([O:4][H:12])([H:10])[H:11])[C:5]([H:13])([H:14])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C@@:2]12[C@@:3]([O:4][H:12])([H:11])[C@:5]1([H:13])[O:6]2)([H:7])([H:8])[H:9].[H:10][H:14],"InChI=1S/C4H8O2/c1-4(2-5)3-6-4/h5H,2-3H2,1H3/t4-/m1/s1","InChI=1S/C4H6O2.H2/c1-4-2(5)3(4)6-4;/h2-3,5H,1H3;1H/t2-,3+,4-;/m1./s1",89.6204,57.130069999999996,
5677,[C:1]([C@@:2]1([C:3]([O:4][H:12])([H:10])[H:11])[C:5]([H:13])([H:14])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C@:2]([C:3](=[O:4])[H:11])([C:5]([O:6][H:12])([H:13])[H:14])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-4(2-5)3-6-4/h5H,2-3H2,1H3/t4-/m1/s1","InChI=1S/C4H8O2/c1-4(2-5)3-6/h2,4,6H,3H2,1H3/t4-/m1/s1",35.77928,-19.32105,
5678,[C:1]([C@@:2]1([C:3]([O:4][H:12])([H:10])[H:11])[C:5]([H:13])([H:14])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C-:2]=[O+:6][C:5]([C:3]([O:4][H:12])([H:10])[H:11])([H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-4(2-5)3-6-4/h5H,2-3H2,1H3/t4-/m1/s1","InChI=1S/C4H8O2/c1-2-6-4-3-5/h5H,3-4H2,1H3",92.44079,38.122859999999996,
5679,[C:1]([C@@:2]1([C:3]([O:4][H:12])([H:10])[H:11])[C:5]([H:13])([H:14])[O:6]1)([H:7])([H:8])[H:9],[C:1](=[C:2]([C:3]([O:4][H:12])([H:10])[H:11])[H:8])([H:7])[H:9].[C:5](=[O:6])([H:13])[H:14],"InChI=1S/C4H8O2/c1-4(2-5)3-6-4/h5H,2-3H2,1H3/t4-/m1/s1","InChI=1S/C3H6O.CH2O/c1-2-3-4;1-2/h2,4H,1,3H2;1H2",69.50751,13.67118,
5680,[C:1]([C@@:2]1([C:3]([O:4][H:12])([H:10])[H:11])[C:5]([H:13])([H:14])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C:2][C:5]([O:6][C:3]([O:4][H:12])([H:10])[H:11])([H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-4(2-5)3-6-4/h5H,2-3H2,1H3/t4-/m1/s1","InChI=1S/C4H8O2/c1-2-3-6-4-5/h5H,3-4H2,1H3",92.52498,75.21996999999999,
5681,[C:1]([C@@:2]1([C:3]([O:4][H:12])([H:10])[H:11])[C:5]([H:13])([H:14])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C:2](=[C+:5][H:13])[O-:6])([H:7])([H:8])[H:9].[C:3]([O:4][H:12])([H:10])([H:11])[H:14],"InChI=1S/C4H8O2/c1-4(2-5)3-6-4/h5H,2-3H2,1H3/t4-/m1/s1","InChI=1S/C3H4O.CH4O/c1-3(2)4;1-2/h1H,2H3;2H,1H3",111.64838,69.83440999999999,
5682,[C:1]([C@@:2]1([C:3]([O:4][H:12])([H:10])[H:11])[C:5]([H:13])([H:14])[O:6]1)([H:7])([H:8])[H:9],[C:1](=[C:2]([C:3]([O:4][H:12])([H:10])[H:11])[O:6][C:5]([H:8])([H:13])[H:14])([H:7])[H:9],"InChI=1S/C4H8O2/c1-4(2-5)3-6-4/h5H,2-3H2,1H3/t4-/m1/s1","InChI=1S/C4H8O2/c1-4(3-5)6-2/h5H,1,3H2,2H3",92.58912,1.61474,
5683,[C:1]([C@@:2]1([C:3]([O:4][H:12])([H:10])[H:11])[C:5]([H:13])([H:14])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C@@:2]1([C:3]([O:4][H:12])([H:10])[H:11])[C-:5]=[O+:6]1)([H:7])([H:8])[H:9].[H:13][H:14],"InChI=1S/C4H8O2/c1-4(2-5)3-6-4/h5H,2-3H2,1H3/t4-/m1/s1","InChI=1S/C4H6O2.H2/c1-4(2-5)3-6-4;/h5H,2H2,1H3;1H/t4-;/m1./s1",82.67558000000001,67.83183000000001,
5684,[C:1]([C@@:2]1([C:3]([O:4][H:12])([H:10])[H:11])[C:5]([H:13])([H:14])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C:3]([C@@:2]1([O:4][H:12])[C:5]([H:13])([H:14])[O:6]1)([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-4(2-5)3-6-4/h5H,2-3H2,1H3/t4-/m1/s1","InChI=1S/C4H8O2/c1-2-4(5)3-6-4/h5H,2-3H2,1H3/t4-/m0/s1",98.54429,-3.5260599999999998,
5685,[C:1]([C@@:2]1([C:3]([O:4][H:12])([H:10])[H:11])[C:5]([H:13])([H:14])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C@@:2]1([C:3][H:11])[C:5]([H:13])([H:14])[O:6]1)([H:7])([H:8])[H:9].[O:4]([H:10])[H:12],"InChI=1S/C4H8O2/c1-4(2-5)3-6-4/h5H,2-3H2,1H3/t4-/m1/s1","InChI=1S/C4H6O.H2O/c1-4(2)3-5-4;/h1H,3H2,2H3;1H2/t4-;/m0./s1",88.25386,97.09111999999999,
5686,[C:1]([C@@:2]1([C:3]([O:4][H:12])([H:10])[H:11])[C:5]([H:13])([H:14])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]1([O:6][H:12])[C:3]([H:10])([H:11])[O:4][C:5]1([H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-4(2-5)3-6-4/h5H,2-3H2,1H3/t4-/m1/s1","InChI=1S/C4H8O2/c1-4(5)2-6-3-4/h5H,2-3H2,1H3",58.15784,2.2313400000000003,
5687,[C:1]([C@@:2]1([C:3]([O:4][H:12])([H:10])[H:11])[C:5]([H:13])([H:14])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C@:2]([C:3]([O:4][H:12])([H:10])[H:11])([O+:6]=[C-:5][H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-4(2-5)3-6-4/h5H,2-3H2,1H3/t4-/m1/s1","InChI=1S/C4H8O2/c1-4(3-5)6-2/h2,4-5H,3H2,1H3/t4-/m1/s1",75.98053,49.247659999999996,
5688,[C:1]([C@@:2]1([C:3]([O:4][H:12])([H:10])[H:11])[C:5]([H:13])([H:14])[O:6]1)([H:7])([H:8])[H:9],[C:1]([O:6][C:5]([C:2][C:3]([O:4][H:12])([H:10])[H:11])([H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-4(2-5)3-6-4/h5H,2-3H2,1H3/t4-/m1/s1","InChI=1S/C4H8O2/c1-6-4-2-3-5/h5H,3-4H2,1H3",100.60126,81.41549,
5689,[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([O:4][H:13])[C:5]#[N:6])([H:7])([H:8])[H:9],[C:1]([C:2][O:4][H:13])([H:7])([H:8])[H:9].[C:3]([C:5]#[N:6])([H:10])([H:11])[H:12],"InChI=1S/C4H7NO/c1-4(2,6)3-5/h6H,1-2H3","InChI=1S/C2H3N.C2H4O/c2*1-2-3/h1H3;3H,1H3",70.68725,64.94044,
5690,[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([O:4][H:13])[C:5]#[N:6])([H:7])([H:8])[H:9],[C:1]([C+:2]=[C:5]=[N-:6])([H:7])([H:8])[H:9].[C:3]([O:4][H:13])([H:10])([H:11])[H:12],"InChI=1S/C4H7NO/c1-4(2,6)3-5/h6H,1-2H3","InChI=1S/C3H3N.CH4O/c1-2-3-4;1-2/h1H3;2H,1H3",98.51827,91.61301,
5691,[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([O:4][H:13])[C:5]#[N:6])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])=[C:5]=[N:6][O:4][H:13])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4(2,6)3-5/h6H,1-2H3","InChI=1S/C4H7NO/c1-4(2)3-5-6/h6H,1-2H3",84.30859,49.5811,
5692,[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([O:4][H:13])[C:5]#[N:6])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]([H:10])[H:12])[O:4][H:13])([H:7])([H:8])[H:9].[C:5](#[N:6])[H:11],"InChI=1S/C4H7NO/c1-4(2,6)3-5/h6H,1-2H3","InChI=1S/C3H6O.CHN/c1-3(2)4;1-2/h4H,1H2,2H3;1H",87.91388,22.59385,
5693,[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([O:4][H:13])[C:5]#[N:6])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([O:4][H:13])[N+:6]#[C-:5])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4(2,6)3-5/h6H,1-2H3","InChI=1S/C4H7NO/c1-4(2,6)5-3/h6H,1-2H3",50.092459999999996,20.86867,
5694,[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([O:4][H:13])[C:5]#[N:6])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([O:4][H:13])[C:3]([H:10])([H:12])/[C:5]1=[N:6]\[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4(2,6)3-5/h6H,1-2H3","InChI=1S/C4H7NO/c1-4(6)2-3(4)5/h5-6H,2H2,1H3/b5-3+/t4-/m1/s1",104.79975,32.9258,
5695,[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([O:4][H:13])[C:5]#[N:6])([H:7])([H:8])[H:9],[C:1]([N:6]=[C:5]=[C:2]([C:3]([H:10])([H:11])[H:12])[O:4][H:13])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4(2,6)3-5/h6H,1-2H3","InChI=1S/C4H7NO/c1-4(6)3-5-2/h6H,1-2H3",77.52989000000001,28.900570000000002,
5696,[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([O:4][H:13])[C:5]#[N:6])([H:7])([H:8])[H:9],[C:1]([C:2]1([C:3]([H:10])([H:11])[H:12])[C:5]([O:4][H:13])=[N:6]1)([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4(2,6)3-5/h6H,1-2H3","InChI=1S/C4H7NO/c1-4(2)3(6)5-4/h1-2H3,(H,5,6)",66.85553,26.33942,
5697,[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([O:4][H:13])[C:5]#[N:6])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])=[O:4])([H:7])([H:8])[H:9].[C:5]=[N:6][H:13],"InChI=1S/C4H7NO/c1-4(2,6)3-5/h6H,1-2H3",InChI=1S/C3H6O.CHN/c1-3(2)4;1-2/h1-2H3;2H,49.90263,32.047940000000004,
5698,[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([O:4][H:13])[C:5]#[N:6])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]([H:10])[H:12])[O:4][H:13])([C:5]#[N:6])([H:8])[H:9].[H:7][H:11],"InChI=1S/C4H7NO/c1-4(2,6)3-5/h6H,1-2H3","InChI=1S/C4H5NO.H2/c1-4(6)2-3-5;/h6H,1-2H2;1H",110.71061999999999,27.0209,
5699,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([N:4]1[C:5]([H:14])([H:15])[C:6]1([H:16])[H:17])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([N+:4]1([H:15])[C-:5]([H:14])[C:6]1([H:16])[H:17])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H11N/c1-5(2)6-3-4-6/h5H,3-4H2,1-2H3","InChI=1S/C5H11N/c1-5(2)6-3-4-6/h3,5-6H,4H2,1-2H3",63.40305,52.76971999999999,
5700,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([N:4]1[C:5]([H:14])([H:15])[C:6]1([H:16])[H:17])[H:10])([H:7])([H:8])[H:9],[C:1](=[C:2]([C:3]([H:11])([H:12])[H:13])[H:10])([H:8])[H:9].[H:7][H:17].[N:4]1=[C:6]([H:16])[C:5]1([H:14])[H:15],"InChI=1S/C5H11N/c1-5(2)6-3-4-6/h5H,3-4H2,1-2H3","InChI=1S/C3H6.C2H3N.H2/c1-3-2;1-2-3-1;/h3H,1H2,2H3;1H,2H2;1H",72.27,54.399809999999995,
5701,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([N:4]1[C:5]([H:14])([H:15])[C:6]1([H:16])[H:17])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([N+:4]([C-:5]([H:14])[H:15])=[C:6]([H:16])[H:17])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H11N/c1-5(2)6-3-4-6/h5H,3-4H2,1-2H3","InChI=1S/C5H11N/c1-5(2)6(3)4/h5H,3-4H2,1-2H3",39.01293,20.19398,
5702,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([N:4]1[C:5]([H:14])([H:15])[C:6]1([H:16])[H:17])[H:10])([H:7])([H:8])[H:9],[C:1]([C-:2]([N+:4]1=[C:6]([H:16])[C:5]1([H:14])[H:15])[H:10])([H:7])([H:8])[H:9].[C:3]([H:11])([H:12])([H:13])[H:17],"InChI=1S/C5H11N/c1-5(2)6-3-4-6/h5H,3-4H2,1-2H3","InChI=1S/C4H7N.CH4/c1-2-5-3-4-5;/h2-3H,4H2,1H3;1H4",73.0209,52.0194,
5703,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([N:4]1[C:5]([H:14])([H:15])[C:6]1([H:16])[H:17])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])=[N+:4]1[C-:5]([H:15])[C:6]1([H:16])[H:17])([H:7])([H:8])[H:9].[H:10][H:14],"InChI=1S/C5H11N/c1-5(2)6-3-4-6/h5H,3-4H2,1-2H3","InChI=1S/C5H9N.H2/c1-5(2)6-3-4-6;/h3H,4H2,1-2H3;1H",64.60891,60.951640000000005,
5704,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([N:4]1[C:5]([H:14])([H:15])[C:6]1([H:16])[H:17])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:5]([N:4]=[C:6]([H:16])[H:17])([H:14])[H:15])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H11N/c1-5(2)6-3-4-6/h5H,3-4H2,1-2H3","InChI=1S/C5H11N/c1-5(2)4-6-3/h5H,3-4H2,1-2H3",88.81264,-15.0808,
5705,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([N:4]1[C:5]([H:14])([H:15])[C:6]1([H:16])[H:17])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]([H:11])[H:13])[N:4]1[C:5]([H:14])([H:15])[C:6]1([H:16])[H:17])([H:7])([H:8])[H:9].[H:10][H:12],"InChI=1S/C5H11N/c1-5(2)6-3-4-6/h5H,3-4H2,1-2H3","InChI=1S/C5H9N.H2/c1-5(2)6-3-4-6;/h1,3-4H2,2H3;1H",91.65524,25.61168,
5706,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([N:4]1[C:5]([H:14])([H:15])[C:6]1([H:16])[H:17])[H:10])([H:7])([H:8])[H:9],[C:1](/[N:4]=[C:2](/[C:3]([H:11])([H:12])[H:13])[H:10])([H:7])([H:8])[H:9].[C:5](=[C:6]([H:16])[H:17])([H:14])[H:15],"InChI=1S/C5H11N/c1-5(2)6-3-4-6/h5H,3-4H2,1-2H3","InChI=1S/C3H7N.C2H4/c1-3-4-2;1-2/h3H,1-2H3;1-2H2/b4-3+;",79.75694,4.455769999999999,
5707,[c:1]1([H:7])[n:2][c:3]([H:8])[n:4][c:5]([H:9])[n:6]1,[C:1]1([H:7])=[N+:2]=[C-:3][N:4]=[C:5]([H:9])[N:6]1[H:8],InChI=1S/C3H3N3/c1-4-2-6-3-5-1/h1-3H,"InChI=1S/C3H3N3/c1-4-2-6-3-5-1/h1-2H,(H,4,5)",110.85186999999999,68.45944,
5708,[c:1]1([H:7])[n:2][c:3]([H:8])[n:4][c:5]([H:9])[n:6]1,[C:1](#[N:6])[H:7].[N:2]#[C:3][H:8].[N:4]#[C:5][H:9],InChI=1S/C3H3N3/c1-4-2-6-3-5-1/h1-3H,InChI=1S/3CHN/c3*1-2/h3*1H,79.8071,50.4862,
5709,[c:1]1([H:7])[n:2][c:3]([H:8])[n:4][c:5]([H:9])[n:6]1,[C:1](=[N-:2])([N:6]=[C:5]([N+:4]#[C:3][H:8])[H:9])[H:7],InChI=1S/C3H3N3/c1-4-2-6-3-5-1/h1-3H,InChI=1S/C3H3N3/c1-5-3-6-2-4/h1-3H,117.54066999999999,106.9814,
5710,[c:1]1([H:7])[n:2][c:3]([H:8])[n:4][c:5]([H:9])[n:6]1,[C:1]12([H:7])[N:2]=[C:3]([H:8])[N:4]1[C:5]([H:9])=[N:6]2,InChI=1S/C3H3N3/c1-4-2-6-3-5-1/h1-3H,InChI=1S/C3H3N3/c1-4-3-5-2-6(1)3/h1-3H,83.48589,75.87864,
5711,[c:1]1([H:7])[n:2][c:3]([H:8])[n:4][c:5]([H:9])[n:6]1,[C:1](=[N:2][H:8])([N:6]=[C:5]([N+:4]#[C-:3])[H:9])[H:7],InChI=1S/C3H3N3/c1-4-2-6-3-5-1/h1-3H,InChI=1S/C3H3N3/c1-5-3-6-2-4/h2-4H,86.68763,50.13205,
5712,[c:1]1([H:7])[n:2][c:3]([H:8])[n:4][c:5]([H:9])[n:6]1,[c:1]1([H:7])[n:2][c:3]([H:8])[n:4][c-:5][n+:6]1[H:9],InChI=1S/C3H3N3/c1-4-2-6-3-5-1/h1-3H,"InChI=1S/C3H3N3/c1-4-2-6-3-5-1/h1-2,5H",86.72114,50.55682,
5713,[C:1]([C:2]([O:3][C:4]([H:10])([H:11])[H:12])([H:8])[H:9])([H:5])([H:6])[H:7],[C:1]([C:2](=[O+:3][C-:4]([H:11])[H:12])[H:9])([H:5])([H:6])[H:7].[H:8][H:10],"InChI=1S/C3H8O/c1-3-4-2/h3H2,1-2H3","InChI=1S/C3H6O.H2/c1-3-4-2;/h3H,2H2,1H3;1H",66.86859,72.12015,
5714,[C:1]([C:2]([O:3][C:4]([H:10])([H:11])[H:12])([H:8])[H:9])([H:5])([H:6])[H:7],[C:1](=[C:2]([H:8])[H:9])([H:5])[H:7].[H:6][H:10].[O:3]=[C:4]([H:11])[H:12],"InChI=1S/C3H8O/c1-3-4-2/h3H2,1-2H3",InChI=1S/C2H4.CH2O.H2/c2*1-2;/h1-2H2;1H2;1H,60.712740000000004,39.12839,
5715,[C:1]([C:2]([O:3][C:4]([H:10])([H:11])[H:12])([H:8])[H:9])([H:5])([H:6])[H:7],[C-:2](=[O+:3][C:4]([H:10])([H:11])[H:12])[H:9].[C:1]([H:5])([H:6])([H:7])[H:8],"InChI=1S/C3H8O/c1-3-4-2/h3H2,1-2H3","InChI=1S/C2H4O.CH4/c1-3-2;/h1H,2H3;1H4",73.26961999999999,64.83051,
5716,[C:1](#[C:2][C:3]([C:4]([C:5]#[C:6][H:12])([H:10])[H:11])([H:8])[H:9])[H:7],[C:1](=[C:2]1[C:3]([H:8])([H:9])[C@@:4]1([C:5]#[C:6][H:12])[H:11])([H:7])[H:10],"InChI=1S/C6H6/c1-3-5-6-4-2/h1-2H,5-6H2","InChI=1S/C6H6/c1-3-6-4-5(6)2/h1,6H,2,4H2/t6-/m0/s1",65.5465,-0.20410999999999999,
5717,[C:1](#[C:2][C:3]([C:4]([C:5]#[C:6][H:12])([H:10])[H:11])([H:8])[H:9])[H:7],[C:1](=[C:2])([C:3]([C:4]([C:5]#[C:6][H:12])([H:10])[H:11])([H:8])[H:9])[H:7],"InChI=1S/C6H6/c1-3-5-6-4-2/h1-2H,5-6H2","InChI=1S/C6H6/c1-3-5-6-4-2/h1,4H,5-6H2",63.28256999999999,52.5413,Singlet_Carbene_Intra_Disproportionation
5718,[C:1](#[C:2][C:3]([C:4]([C:5]#[C:6][H:12])([H:10])[H:11])([H:8])[H:9])[H:7],[C:1](#[C:2][C:3](/[C:4](=[C:5](\[C:6][H:12])[H:10])[H:11])([H:8])[H:9])[H:7],"InChI=1S/C6H6/c1-3-5-6-4-2/h1-2H,5-6H2","InChI=1S/C6H6/c1-3-5-6-4-2/h1-3,5H,6H2/b5-3-",67.42491,60.2492,
5719,[C:1](#[C:2][C:3]([C:4]([C:5]#[C:6][H:12])([H:10])[H:11])([H:8])[H:9])[H:7],[C:1]1([H:7])=[C-:2][C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5]([H:12])=[C+:6]1,"InChI=1S/C6H6/c1-3-5-6-4-2/h1-2H,5-6H2","InChI=1S/C6H6/c1-2-4-6-5-3-1/h1,5H,2,4H2",62.7617,25.88204,
5720,[C:1](#[C:2][C:3]([C:4]([C:5]#[C:6][H:12])([H:10])[H:11])([H:8])[H:9])[H:7],[C:1]12=[C:2]([H:7])[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5]1=[C:6]2[H:12],"InChI=1S/C6H6/c1-3-5-6-4-2/h1-2H,5-6H2","InChI=1S/C6H6/c1-2-5-4-6(5)3-1/h2,4H,1,3H2",62.71937,14.873829999999998,
5721,[C:1](#[C:2][C:3]([C:4]([C:5]#[C:6][H:12])([H:10])[H:11])([H:8])[H:9])[H:7],[C:1](#[C:2][C:3]([C:4](=[C:5]=[C:6]([H:10])[H:12])[H:11])([H:8])[H:9])[H:7],"InChI=1S/C6H6/c1-3-5-6-4-2/h1-2H,5-6H2","InChI=1S/C6H6/c1-3-5-6-4-2/h1,6H,2,5H2",71.0871,-4.81919,
5722,[C:1](#[C:2][C:3]([C:4]([C:5]#[C:6][H:12])([H:10])[H:11])([H:8])[H:9])[H:7],[C:1](=[C:2]=[C:3]([H:8])[H:9])([C:6](=[C:5]=[C:4]([H:10])[H:11])[H:12])[H:7],"InChI=1S/C6H6/c1-3-5-6-4-2/h1-2H,5-6H2","InChI=1S/C6H6/c1-3-5-6-4-2/h5-6H,1-2H2",25.038320000000002,-13.92934,6_membered_central_C-C_shift
5723,[C:1](#[C:2][C:3]([C:4]([C:5]#[C:6][H:12])([H:10])[H:11])([H:8])[H:9])[H:7],[C@:1]1([C:4]([C:5]#[C:6][H:12])([H:10])[H:11])([H:7])[C:2][C:3]1([H:8])[H:9],"InChI=1S/C6H6/c1-3-5-6-4-2/h1-2H,5-6H2","InChI=1S/C6H6/c1-2-3-6-4-5-6/h1,6H,3-4H2/t6-/m1/s1",93.76847,69.45159,
5724,[O:1]=[C:2]([C@@:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[O:6]1)[H:7],[C:4](=[C:5]([H:11])[H:12])([H:9])[H:10].[O:1]=[C:2]([C:3](=[O:6])[H:8])[H:7],"InChI=1S/C4H6O2/c5-3-4-1-2-6-4/h3-4H,1-2H2/t4-/m1/s1",InChI=1S/C2H2O2.C2H4/c3-1-2-4;1-2/h1-2H;1-2H2,47.02727,9.94623,2+2_cycloaddition
5725,[O:1]=[C:2]([C@@:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[O:6]1)[H:7],[O:1]1[C@@:2]2([H:7])[C@:3]1([H:8])[O:6][C:5]([H:11])([H:12])[C:4]2([H:9])[H:10],"InChI=1S/C4H6O2/c5-3-4-1-2-6-4/h3-4H,1-2H2/t4-/m1/s1","InChI=1S/C4H6O2/c1-2-5-4-3(1)6-4/h3-4H,1-2H2/t3-,4-/m1/s1",43.277840000000005,-3.4792300000000003,
5726,[O:1]=[C:2]([C@@:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[O:6]1)[H:7],[O:1]=[C:2]([C:4]1([H:9])[C:3]([H:8])([H:10])[O:6][C:5]1([H:11])[H:12])[H:7],"InChI=1S/C4H6O2/c5-3-4-1-2-6-4/h3-4H,1-2H2/t4-/m1/s1","InChI=1S/C4H6O2/c5-1-4-2-6-3-4/h1,4H,2-3H2",92.29885,0.89743,
5727,[O:1]=[C:2]([C@@:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[O:6]1)[H:7],[C:3]1([H:8])=[C:4]([H:10])[C:5]([H:11])([H:12])[O:6]1.[H:7][H:9].[O+:1]#[C-:2],"InChI=1S/C4H6O2/c5-3-4-1-2-6-4/h3-4H,1-2H2/t4-/m1/s1","InChI=1S/C3H4O.CO.H2/c1-2-4-3-1;1-2;/h1-2H,3H2;;1H",61.871809999999996,31.71755,
5728,[O:1]=[C:2]([C@@:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[O:6]1)[H:7],[O:1]=[C:2](/[C:3](=[C:4](/[C:5]([O:6][H:9])([H:11])[H:12])[H:10])[H:8])[H:7],"InChI=1S/C4H6O2/c5-3-4-1-2-6-4/h3-4H,1-2H2/t4-/m1/s1","InChI=1S/C4H6O2/c5-3-1-2-4-6/h1-3,6H,4H2/b2-1+",84.31979,-16.623089999999998,
5729,[O:1]=[C:2]([C@@:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[O:6]1)[H:7],[O:1](/[C:2](=[C:3]1\[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[O:6]1)[H:7])[H:8],"InChI=1S/C4H6O2/c5-3-4-1-2-6-4/h3-4H,1-2H2/t4-/m1/s1","InChI=1S/C4H6O2/c5-3-4-1-2-6-4/h3,5H,1-2H2/b4-3+",63.7118,4.1206,ketoenol
5730,[O:1]=[C:2]([C@@:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[O:6]1)[H:7],[O:1]=[C:2]=[C:3]([C:4]([C:5]([O:6][H:7])([H:11])[H:12])([H:9])[H:10])[H:8],"InChI=1S/C4H6O2/c5-3-4-1-2-6-4/h3-4H,1-2H2/t4-/m1/s1","InChI=1S/C4H6O2/c5-3-1-2-4-6/h1,6H,2,4H2",65.04355,-16.36253,
5731,[O:1]=[C:2]([C@@:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[O:6]1)[H:7],[O-:1][C:2](=[C:3]=[O+:6][C:5]([C:4]([H:8])([H:9])[H:10])([H:11])[H:12])[H:7],"InChI=1S/C4H6O2/c5-3-4-1-2-6-4/h3-4H,1-2H2/t4-/m1/s1","InChI=1S/C4H6O2/c1-2-6-4-3-5/h3H,2H2,1H3",69.96171,34.217690000000005,
5732,[O:1]=[C:2]([C@@:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[O:6]1)[H:7],[O-:1][C:2](=[C+:3][C:4]([C:5]([O:6][H:8])([H:11])[H:12])([H:9])[H:10])[H:7],"InChI=1S/C4H6O2/c5-3-4-1-2-6-4/h3-4H,1-2H2/t4-/m1/s1","InChI=1S/C4H6O2/c5-3-1-2-4-6/h4-5H,1,3H2",60.218469999999996,52.29933,
5733,[O:1]=[C:2]([C@@:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[O:6]1)[H:7],[O:1]([C@:2]1([H:7])[C@:3]2([H:8])[C:4]([H:9])([H:10])[C@@:5]1([H:12])[O:6]2)[H:11],"InChI=1S/C4H6O2/c5-3-4-1-2-6-4/h3-4H,1-2H2/t4-/m1/s1","InChI=1S/C4H6O2/c5-4-2-1-3(4)6-2/h2-5H,1H2/t2-,3+,4+",101.13783000000001,34.255590000000005,
5734,[O:1]=[C:2]([C@@:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[O:6]1)[H:7],[O:1]1[C:2]([H:7])=[C:3]([H:8])[O:6][C:5]([H:11])([H:12])[C:4]1([H:9])[H:10],"InChI=1S/C4H6O2/c5-3-4-1-2-6-4/h3-4H,1-2H2/t4-/m1/s1","InChI=1S/C4H6O2/c1-2-6-4-3-5-1/h1-2H,3-4H2",58.70339,-7.80883,ketoenol
5735,[O:1]=[C:2]([C@@:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[O:6]1)[H:7],[O+:1](=[C-:2][H:7])[C@@:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[O:6]1,"InChI=1S/C4H6O2/c5-3-4-1-2-6-4/h3-4H,1-2H2/t4-/m1/s1","InChI=1S/C4H6O2/c1-5-4-2-3-6-4/h1,4H,2-3H2/t4-/m1/s1",95.80126,60.47189,
5736,[O:1]=[C:2]([C@@:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[O:6]1)[H:7],[C:5](=[O:6])([H:11])[H:12].[O:1]=[C:2]([C:3](=[C:4]([H:9])[H:10])[H:8])[H:7],"InChI=1S/C4H6O2/c5-3-4-1-2-6-4/h3-4H,1-2H2/t4-/m1/s1","InChI=1S/C3H4O.CH2O/c1-2-3-4;1-2/h2-3H,1H2;1H2",47.98578,3.3718800000000004,2+2_cycloaddition
5737,[O:1]=[C:2]([C@@:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[O:6]1)[H:7],[O:1]=[C:2]([O:6][C:5]([C:4]([C:3][H:8])([H:9])[H:10])([H:11])[H:12])[H:7],"InChI=1S/C4H6O2/c5-3-4-1-2-6-4/h3-4H,1-2H2/t4-/m1/s1","InChI=1S/C4H6O2/c1-2-3-6-4-5/h1,4H,2-3H2",61.0969,60.212140000000005,
5738,[O:1]=[C:2]([C@@:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[O:6]1)[H:7],[O:1]=[C:2]([C@@:3]([C:4](=[C:5]([H:11])[H:12])[H:9])([O:6][H:10])[H:8])[H:7],"InChI=1S/C4H6O2/c5-3-4-1-2-6-4/h3-4H,1-2H2/t4-/m1/s1","InChI=1S/C4H6O2/c1-2-4(6)3-5/h2-4,6H,1H2/t4-/m1/s1",87.52150999999999,-12.15292,
5739,[O:1]=[C:2]([C@@:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[O:6]1)[H:7],[O:1]1[C:2]([H:7])([H:8])[C@@:3]12[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[O:6]2,"InChI=1S/C4H6O2/c5-3-4-1-2-6-4/h3-4H,1-2H2/t4-/m1/s1",InChI=1S/C4H6O2/c1-2-5-4(1)3-6-4/h1-3H2/t4-/m1/s1,52.757369999999995,12.626330000000001,
5740,[O:1]=[C:2]([C@@:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[O:6]1)[H:7],[O:1]([C:2][C@@:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[O:6]1)[H:7],"InChI=1S/C4H6O2/c5-3-4-1-2-6-4/h3-4H,1-2H2/t4-/m1/s1","InChI=1S/C4H6O2/c5-3-4-1-2-6-4/h4-5H,1-2H2/t4-/m1/s1",81.9111,55.57943,
5741,[O:1]=[C:2]([C@@:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[O:6]1)[H:7],[O:1]=[C:2]([O:6][C:3]1([H:8])[C:4]([H:9])([H:10])[C:5]1([H:11])[H:12])[H:7],"InChI=1S/C4H6O2/c5-3-4-1-2-6-4/h3-4H,1-2H2/t4-/m1/s1","InChI=1S/C4H6O2/c5-3-6-4-1-2-4/h3-4H,1-2H2",64.67348,-13.80768,
5742,[O:1]=[C:2]([C@@:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[O:6]1)[H:7],[O+:1](=[C-:2][H:7])[C:4]1([H:9])[C:3]([H:8])([H:10])[O:6][C:5]1([H:11])[H:12],"InChI=1S/C4H6O2/c5-3-4-1-2-6-4/h3-4H,1-2H2/t4-/m1/s1","InChI=1S/C4H6O2/c1-5-4-2-6-3-4/h1,4H,2-3H2",110.96779,68.57686,
5743,[O:1]=[C:2]([C@@:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[O:6]1)[H:7],[O+:1]#[C:2][C@@:3]([C:4]([C-:5]([H:11])[H:12])([H:9])[H:10])([O:6][H:7])[H:8],"InChI=1S/C4H6O2/c5-3-4-1-2-6-4/h3-4H,1-2H2/t4-/m1/s1","InChI=1S/C4H6O2/c1-2-4(6)3-5/h4,6H,1-2H2/t4-/m1/s1",61.18343,30.614320000000003,
5744,[C:1]([C:2]([O:3][C:4]([C:5]([O:6][H:16])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C-:2]([O+:3]=[C:4]([C:5]([O:6][H:16])([H:14])[H:15])[H:13])[H:11])([H:7])([H:8])[H:9].[H:10][H:12],"InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3","InChI=1S/C4H8O2.H2/c1-2-6-4-3-5;/h2,4-5H,3H2,1H3;1H",66.31104,71.54178,
5745,[C:1]([C:2]([O:3][C:4]([C:5]([O:6][H:16])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([O:3]/[C:4](=[C:5](\[O:6][H:16])[H:14])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9].[H:12][H:15],"InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3","InChI=1S/C4H8O2.H2/c1-2-6-4-3-5;/h3-5H,2H2,1H3;1H/b4-3-;",85.56764,28.442629999999998,
5746,[C:1]([C:2]([O:3][C:4]([C:5]([O:6][H:16])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:4]([O:3][H:16])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9].[C:5](=[O:6])([H:14])[H:15],"InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3","InChI=1S/C3H8O.CH2O/c1-2-3-4;1-2/h4H,2-3H2,1H3;1H2",82.77184,10.43784,
5747,[C:1]([C:2]([O:3][C:4]([C:5]([O:6][H:16])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([O:3][H:16])([H:10])[H:11])([H:7])([H:8])[H:9].[C:4]1([H:12])([H:13])[C:5]([H:14])([H:15])[O:6]1,"InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3","InChI=1S/C2H4O.C2H6O/c1-2-3-1;1-2-3/h1-2H2;3H,2H2,1H3",60.16059,28.19394,
5748,[C:1]([C:2]([O:3][C:4]([C:5]([O:6][H:16])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([O:3][O:6][H:16])([H:10])[H:11])([H:7])([H:8])[H:9].[C:4](=[C:5]([H:14])[H:15])([H:12])[H:13],"InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3","InChI=1S/C2H6O2.C2H4/c1-2-4-3;1-2/h3H,2H2,1H3;1-2H2",111.93186999999999,70.49008,
5749,[C:1]([C:2]([O:3][C:4]([C:5]([O:6][H:16])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C-:2]([O+:3]=[C:4]([C:5]([O:6][H:16])([H:14])[H:15])[H:13])([H:10])[H:11].[C:1]([H:7])([H:8])([H:9])[H:12],"InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3","InChI=1S/C3H6O2.CH4/c1-5-3-2-4;/h3-4H,1-2H2;1H4",78.6459,61.72371999999999,
5750,[C:1]([C:2]([O:3][C:4]([C:5]([O:6][H:16])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]([H:10])[H:11])([H:7])[H:8].[H:9][H:12].[O:3]=[C:4]([C:5]([O:6][H:16])([H:14])[H:15])[H:13],"InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3","InChI=1S/C2H4O2.C2H4.H2/c3-1-2-4;1-2;/h1,4H,2H2;1-2H2;1H",60.56635,33.089690000000004,
5751,[C:1]([C:2]([O:3][C:4]([C:5]([O:6][H:16])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([O:3][C:4]([C:5](=[O:6])[H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9].[H:15][H:16],"InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3","InChI=1S/C4H8O2.H2/c1-2-6-4-3-5;/h3H,2,4H2,1H3;1H",83.56784,21.59671,
5752,[C:1]([C:2]([O:3][C:4]([C:5]([O:6][H:16])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]([H:10])[H:11])([H:7])[H:8].[C:5]([O:6][H:16])([H:9])([H:14])[H:15].[O:3]=[C:4]([H:12])[H:13],"InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3","InChI=1S/C2H4.CH4O.CH2O/c3*1-2/h1-2H2;2H,1H3;1H2",77.01086,35.852709999999995,
5753,[C:1]([C:2]([O:3][C:4]([C:5]([O:6][H:16])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([O:3][H:16])([H:10])[H:11])([H:7])([H:8])[H:9].[C:4]([C:5](=[O:6])[H:14])([H:12])([H:13])[H:15],"InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3","InChI=1S/C2H6O.C2H4O/c2*1-2-3/h3H,2H2,1H3;2H,1H3",58.21988,0.70465,
5754,[C:1]([C:2]([O:3][C:4]([C:5]([O:6][H:16])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([O:3][C:4]([H:12])([H:13])[H:15])([H:10])[H:11])([H:7])([H:8])[H:9].[C:5]([O:6][H:16])[H:14],"InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3","InChI=1S/C3H8O.CH2O/c1-3-4-2;1-2/h3H2,1-2H3;1-2H",73.26241,78.78673,
5755,[N:1](=[C:2]1/[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[O:5]1)\[H:6],[C:4](=[O:5])([H:9])[H:10].[N:1](=[C:2]=[C:3]([H:7])[H:8])[H:6],"InChI=1S/C3H5NO/c4-3-1-2-5-3/h4H,1-2H2/b4-3-","InChI=1S/C2H3N.CH2O/c1-2-3;1-2/h3H,1H2;1H2",51.83874,25.4687,2+2_cycloaddition
5756,[N:1](=[C:2]1/[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[O:5]1)\[H:6],[N:1]#[C:2][C:3]([C:4]([O:5][H:6])([H:9])[H:10])([H:7])[H:8],"InChI=1S/C3H5NO/c4-3-1-2-5-3/h4H,1-2H2/b4-3-","InChI=1S/C3H5NO/c4-2-1-3-5/h5H,1,3H2",61.67018,-10.61166,
5757,[N:1](=[C:2]1/[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[O:5]1)\[H:6],[C:3](=[C:4]([H:9])[H:10])([H:7])[H:8].[N:1](=[C:2]=[O:5])[H:6],"InChI=1S/C3H5NO/c4-3-1-2-5-3/h4H,1-2H2/b4-3-",InChI=1S/C2H4.CHNO/c1-2;2-1-3/h1-2H2;2H,42.376329999999996,-8.00436,2+2_cycloaddition
5758,[N:1](=[C:2]1/[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[O:5]1)\[H:6],[N:1]([C:2]1=[C:3]([H:7])[C:4]([H:9])([H:10])[O:5]1)([H:6])[H:8],"InChI=1S/C3H5NO/c4-3-1-2-5-3/h4H,1-2H2/b4-3-","InChI=1S/C3H5NO/c4-3-1-2-5-3/h1H,2,4H2",81.43735,18.49589,
5759,[N:1](=[C:2]1/[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[O:5]1)\[H:6],[H:6][H:7].[N:1]#[C:2][C@@:3]1([H:8])[C:4]([H:9])([H:10])[O:5]1,"InChI=1S/C3H5NO/c4-3-1-2-5-3/h4H,1-2H2/b4-3-","InChI=1S/C3H3NO.H2/c4-1-3-2-5-3;/h3H,2H2;1H/t3-;/m0./s1",108.18372,36.11695,
5760,[N:1](=[C:2]1/[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[O:5]1)\[H:6],[N:1]1([H:6])[C:2]([O:5][C:4]([H:8])([H:9])[H:10])=[C:3]1[H:7],"InChI=1S/C3H5NO/c4-3-1-2-5-3/h4H,1-2H2/b4-3-","InChI=1S/C3H5NO/c1-5-3-2-4-3/h2,4H,1H3",80.21304,68.25041,
5761,[N:1](=[C:2]1/[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[O:5]1)\[H:6],[H:9][H:10].[N:1](=[C:2]1/[C:3]([H:7])([H:8])[C-:4]=[O+:5]1)\[H:6],"InChI=1S/C3H5NO/c4-3-1-2-5-3/h4H,1-2H2/b4-3-","InChI=1S/C3H3NO.H2/c4-3-1-2-5-3;/h4H,1H2;1H/b4-3-;",84.13024,78.21121,
5762,[N:1](=[C:2]1/[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[O:5]1)\[H:6],[H:6][H:8].[N-:1]=[C:2]1[C+:3]([H:7])[C:4]([H:9])([H:10])[O:5]1,"InChI=1S/C3H5NO/c4-3-1-2-5-3/h4H,1-2H2/b4-3-","InChI=1S/C3H3NO.H2/c4-3-1-2-5-3;/h1H,2H2;1H",108.16368999999999,109.52026000000001,
5763,[C:1]1([H:6])([H:7])[C:2]([H:8])([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]1([H:14])[H:15],[C:1](=[C:5]([H:14])[H:15])([H:6])[H:7].[C:2](=[C:3]([C:4]([H:11])([H:12])[H:13])[H:10])([H:8])[H:9],InChI=1S/C5H10/c1-2-4-5-3-1/h1-5H2,"InChI=1S/C3H6.C2H4/c1-3-2;1-2/h3H,1H2,2H3;1-2H2",95.39884,33.48833,
5764,[C:1]1([H:6])([H:7])[C:2]([H:8])([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]1([H:14])[H:15],[C:1]1([H:6])([H:7])[C:2]([H:8])([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])=[C:5]1[H:15].[H:13][H:14],InChI=1S/C5H10/c1-2-4-5-3-1/h1-5H2,"InChI=1S/C5H8.H2/c1-2-4-5-3-1;/h1-2H,3-5H2;1H",107.55798999999999,26.825090000000003,
5765,[C:1]1([H:6])([H:7])[C:2]([H:8])([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]1([H:14])[H:15],[C:1]([C:2]([C:3]([C:4]([H:12])([H:13])[H:15])([H:10])[H:11])([H:8])[H:9])([C:5][H:14])([H:6])[H:7],InChI=1S/C5H10/c1-2-4-5-3-1/h1-5H2,"InChI=1S/C5H10/c1-3-5-4-2/h1H,3-5H2,2H3",87.94698000000001,93.24318000000001,
5766,[C:1]1([H:6])([H:7])[C:2]([H:8])([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]1([H:14])[H:15],[C:1]1([H:6])([H:7])[C:2]([C:3]([C:4]([H:8])([H:12])[H:13])([H:10])[H:11])([H:9])[C:5]1([H:14])[H:15],InChI=1S/C5H10/c1-2-4-5-3-1/h1-5H2,"InChI=1S/C5H10/c1-2-5-3-4-5/h5H,2-4H2,1H3",116.18565,18.59665,
5767,[n:1]1([H:6])[n:2][c:3]([H:7])[c:4]([H:8])[n:5]1,[N:1](=[N:2]/[C@@:3]1([H:7])[C:4]([H:8])=[N:5]1)\[H:6],"InChI=1S/C2H3N3/c1-2-4-5-3-1/h1-2H,(H,3,4,5)",InChI=1S/C2H3N3/c3-5-2-1-4-2/h1-3H/b5-3+/t2-/m0/s1,69.67989,61.68195,
5768,[n:1]1([H:6])[n:2][c:3]([H:7])[c:4]([H:8])[n:5]1,[N:1](=[N:2][C:3](=[C:4]=[N:5][H:8])[H:7])[H:6],"InChI=1S/C2H3N3/c1-2-4-5-3-1/h1-2H,(H,3,4,5)",InChI=1S/C2H3N3/c3-1-2-5-4/h2-4H,81.17246,38.99922,
5769,[n:1]1([H:6])[n:2][c:3]([H:7])[c:4]([H:8])[n:5]1,[N:1]1([H:6])[N-:2][C:3]([H:7])=[C+:4][N:5]1[H:8],"InChI=1S/C2H3N3/c1-2-4-5-3-1/h1-2H,(H,3,4,5)","InChI=1S/C2H3N3/c1-2-4-5-3-1/h1,4-5H",81.1499,53.4751,
5770,[n:1]1([H:6])[n:2][c:3]([H:7])[c:4]([H:8])[n:5]1,[N:1]([N:2]=[C:3]([H:7])[H:8])([N+:5]#[C-:4])[H:6],"InChI=1S/C2H3N3/c1-2-4-5-3-1/h1-2H,(H,3,4,5)","InChI=1S/C2H3N3/c1-3-5-4-2/h5H,1H2",87.36891999999999,65.55041,
5771,[n:1]1([H:6])[n:2][c:3]([H:7])[c:4]([H:8])[n:5]1,[C:4](#[N:5])[H:8].[N-:1]([N+:2]#[C:3][H:7])[H:6],"InChI=1S/C2H3N3/c1-2-4-5-3-1/h1-2H,(H,3,4,5)",InChI=1S/CH2N2.CHN/c1-3-2;1-2/h1-2H;1H,65.04361999999999,54.70621,
5772,[n:1]1([H:6])[n:2][c:3]([H:7])[c:4]([H:8])[n:5]1,[n:1]1[n:2]([H:6])[c:3]([H:7])[c:4]([H:8])[n:5]1,"InChI=1S/C2H3N3/c1-2-4-5-3-1/h1-2H,(H,3,4,5)","InChI=1S/C2H3N3/c1-2-4-5-3-1/h1-2H,(H,3,4,5)",47.64733,7.4852,
5773,[O:1]=[C:2]1[N:3]([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])=[C:6]1[H:11],[O:1]=[C:2]1[N:3]([H:7])[C:4]([H:8])([H:9])[C:5][C:6]1([H:10])[H:11],"InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h1-2H,3H2,(H,5,6)","InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h2-3H2,(H,5,6)",72.46518,74.50554,Singlet_Carbene_Intra_Disproportionation
5774,[O:1]=[C:2]1[N:3]([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])=[C:6]1[H:11],[O:1]=[C:2]=[C:6]([C@:5]1([H:10])[N:3]([H:7])[C:4]1([H:8])[H:9])[H:11],"InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h1-2H,3H2,(H,5,6)","InChI=1S/C4H5NO/c6-2-1-4-3-5-4/h1,4-5H,3H2/t4-/m0/s1",71.77011999999999,45.83895,
5775,[O:1]=[C:2]1[N:3]([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])=[C:6]1[H:11],[O-:1][C:2]1=[C+:6][C:5]([H:10])([H:11])[C:4]([H:8])([H:9])[N:3]1[H:7],"InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h1-2H,3H2,(H,5,6)","InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h5H,1,3H2",78.20640999999999,79.59694,Singlet_Carbene_Intra_Disproportionation
5776,[O:1]=[C:2]1[N:3]([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])=[C:6]1[H:11],[O:1]1/[C:2](=[N:3]\[H:7])[C@:6]1([C:5](=[C:4]([H:8])[H:9])[H:10])[H:11],"InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h1-2H,3H2,(H,5,6)","InChI=1S/C4H5NO/c1-2-3-4(5)6-3/h2-3,5H,1H2/b5-4-/t3-/m1/s1",67.44337,47.2157,
5777,[O:1]=[C:2]1[N:3]([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])=[C:6]1[H:11],[O:1]([C+:2]1[N:3]([H:7])[C:4]([H:8])([H:9])[C-:5]=[C:6]1[H:11])[H:10],"InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h1-2H,3H2,(H,5,6)","InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h2,5-6H,3H2",147.55183,63.79935,
5778,[O:1]=[C:2]1[N:3]([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])=[C:6]1[H:11],[N:3](=[C:4]([H:8])[H:9])[H:7].[O:1]=[c:2]1[c:5]([H:10])[c:6]1[H:11],"InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h1-2H,3H2,(H,5,6)","InChI=1S/C3H2O.CH3N/c4-3-1-2-3;1-2/h1-2H;2H,1H2",98.64820999999999,75.45635,
5779,[O:1]=[C:2]1[N:3]([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])=[C:6]1[H:11],[O-:1][C:2]1=[C:6]([H:11])[C:5]([H:8])([H:10])[C:4]([H:9])=[N+:3]1[H:7],"InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h1-2H,3H2,(H,5,6)","InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h2-3,6H,1H2",42.172340000000005,28.958159999999996,
5780,[O:1]=[C:2]1[N:3]([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])=[C:6]1[H:11],[H:9][H:10].[O:1]=[C:2]1[N:3]([H:7])[C:4]([H:8])=[C:5]=[C:6]1[H:11],"InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h1-2H,3H2,(H,5,6)","InChI=1S/C4H3NO.H2/c6-4-2-1-3-5-4;/h2-3H,(H,5,6);1H",83.93319,83.98569,
5781,[O:1]=[C:2]1[N:3]([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])=[C:6]1[H:11],[H:10][H:11].[O:1]=[C:2]1[N:3]([H:7])[C:4]([H:8])([H:9])[C:5]#[C:6]1,"InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h1-2H,3H2,(H,5,6)","InChI=1S/C4H3NO.H2/c6-4-2-1-3-5-4;/h3H2,(H,5,6);1H",115.48913,108.51748,
5782,[O:1]=[C:2]1[N:3]([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])=[C:6]1[H:11],[O:1]([C:2]1=[N:3][C:4]([H:8])([H:9])[C:5]([H:10])=[C:6]1[H:11])[H:7],"InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h1-2H,3H2,(H,5,6)","InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h1-2H,3H2,(H,5,6)",47.16219,8.53598,ketoenol
5783,[O:1]=[C:2]1[N:3]([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])=[C:6]1[H:11],[O:1]1[C:2](/[C:6](=[C:5](\[C:4]([H:7])([H:8])[H:9])[H:10])[H:11])=[N:3]1,"InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h1-2H,3H2,(H,5,6)","InChI=1S/C4H5NO/c1-2-3-4-5-6-4/h2-3H,1H3/b3-2-",78.19436,78.55608000000001,
5784,[O:1]=[C:2]1[N:3]([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])=[C:6]1[H:11],[C:5](#[C:6][H:11])[H:10].[N:3](=[C:4]([H:8])[H:9])[H:7].[O+:1]#[C-:2],"InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h1-2H,3H2,(H,5,6)","InChI=1S/C2H2.CH3N.CO/c3*1-2/h1-2H;2H,1H2;",95.01005,74.13871999999999,
5785,[O:1]=[C:2]1[N:3]([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])=[C:6]1[H:11],[O:1]([c:2]1[n:3]([H:7])[c:4]([H:9])[c:5]([H:10])[c:6]1[H:11])[H:8],"InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h1-2H,3H2,(H,5,6)","InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h1-3,5-6H",98.11922,6.50495,
5786,[O:1]=[C:2]1[N:3]([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])=[C:6]1[H:11],[O:1]=[C:2]=[C:6](/[C:5](=[C:4](\[N:3]([H:7])[H:8])[H:9])[H:10])[H:11],"InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h1-2H,3H2,(H,5,6)","InChI=1S/C4H5NO/c5-3-1-2-4-6/h1-3H,5H2/b3-1-",61.07066,24.57077,
5787,[O:1]=[C:2]1[N:3]([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])=[C:6]1[H:11],[O:1]([C:2]1=[C:6]=[C:5]([H:10])[C:4]([H:8])([H:9])[N:3]1[H:7])[H:11],"InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h1-2H,3H2,(H,5,6)","InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h1,5-6H,3H2",72.06727,53.74066,ketoenol
5788,[O:1]=[C:2]1[N:3]([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])=[C:6]1[H:11],[O:1]1/[C:2](=[C:6](/[C:5](=[C:4]([H:8])[H:9])[H:10])[H:11])[N:3]1[H:7],"InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h1-2H,3H2,(H,5,6)","InChI=1S/C4H5NO/c1-2-3-4-5-6-4/h2-3,5H,1H2/b4-3+",88.76487,86.79521,
5789,[O:1]=[C:2]1[N:3]([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])=[C:6]1[H:11],[O:1]=[C:2]=[C:6]=[C:5]([C:4]([N:3]([H:7])[H:11])([H:8])[H:9])[H:10],"InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h1-2H,3H2,(H,5,6)","InChI=1S/C4H5NO/c5-3-1-2-4-6/h1H,3,5H2",114.95293999999998,42.28508,
5790,[O:1]=[C:2]1[N:3]([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])=[C:6]1[H:11],[O:1]=[C:2]([N:3]([C:4]([H:8])([H:9])[H:10])[H:7])[C:6](=[C:5])[H:11],"InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h1-2H,3H2,(H,5,6)","InChI=1S/C4H5NO/c1-3-4(6)5-2/h3H,2H3,(H,5,6)",76.97822,80.90624,
5791,[O:1]=[C:2]1[N:3]([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])=[C:6]1[H:11],[H:8][H:9].[O-:1][C:2]1=[C:6]([H:11])[C:5]([H:10])=[C:4]=[N+:3]1[H:7],"InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h1-2H,3H2,(H,5,6)","InChI=1S/C4H3NO.H2/c6-4-2-1-3-5-4;/h1-2,6H;1H",72.22873,70.92458,
5792,[O:1]=[C:2]([C:3](=[O:4])[H:6])[H:5],[O:1]=[C:2]([O+:4]=[C-:3][H:6])[H:5],InChI=1S/C2H2O2/c3-1-2-4/h1-2H,InChI=1S/C2H2O2/c1-4-2-3/h1-2H,56.329190000000004,58.29864,
5793,[C:1]([C@@:2]([C:3]([O:4][H:13])([H:11])[H:12])([C:5]#[C:6][H:14])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3](=[O:4])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9].[C:5](#[C:6][H:14])[H:13],"InChI=1S/C5H8O/c1-3-5(2)4-6/h1,5-6H,4H2,2H3/t5-/m1/s1","InChI=1S/C3H6O.C2H2/c1-2-3-4;1-2/h3H,2H2,1H3;1-2H",67.19632,15.98066,
5794,[C:1]([C@@:2]([C:3]([O:4][H:13])([H:11])[H:12])([C:5]#[C:6][H:14])[H:10])([H:7])([H:8])[H:9],[C:1]([C@@:2]([C:3]([O:4][H:13])([H:11])[H:12])([C:6](=[C:5])[H:14])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-3-5(2)4-6/h1,5-6H,4H2,2H3/t5-/m1/s1","InChI=1S/C5H8O/c1-3-5(2)4-6/h3,5-6H,4H2,2H3/t5-/m1/s1",58.19943000000001,47.62171,Singlet_Carbene_Intra_Disproportionation
5795,[C:1]([C@@:2]([C:3]([O:4][H:13])([H:11])[H:12])([C:5]#[C:6][H:14])[H:10])([H:7])([H:8])[H:9],[C:1](/[C:2]([C:3]([O:4][H:13])([H:11])[H:12])=[C:5](\[C:6][H:14])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-3-5(2)4-6/h1,5-6H,4H2,2H3/t5-/m1/s1","InChI=1S/C5H8O/c1-3-5(2)4-6/h1,3,6H,4H2,2H3/b5-3+",62.36116,54.23795,
5796,[C:1]([C@@:2]([C:3]([O:4][H:13])([H:11])[H:12])([C:5]#[C:6][H:14])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:5]=[C:6]([H:13])[H:14])[H:10])([H:7])([H:8])[H:9].[C:3](=[O:4])([H:11])[H:12],"InChI=1S/C5H8O/c1-3-5(2)4-6/h1,5-6H,4H2,2H3/t5-/m1/s1","InChI=1S/C4H6.CH2O/c1-3-4-2;1-2/h4H,1H2,2H3;1H2",25.8646,11.82567,Retroene
5797,[C:1]([C@@:2]([C:3]([O:4][H:13])([H:11])[H:12])([C:5]#[C:6][H:14])[H:10])([H:7])([H:8])[H:9],[C:1]1([H:7])([H:9])[C@:2]([C:3]([O:4][H:13])([H:11])[H:12])([H:10])[C:5][C:6]1([H:8])[H:14],"InChI=1S/C5H8O/c1-3-5(2)4-6/h1,5-6H,4H2,2H3/t5-/m1/s1","InChI=1S/C5H8O/c6-4-5-2-1-3-5/h5-6H,1-2,4H2/t5-/m1/s1",91.03761,58.16621,
5798,[C:1]([C@@:2]([C:3]([O:4][H:13])([H:11])[H:12])([C:5]#[C:6][H:14])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([O:4][H:13])([H:11])[H:12])=[C:5]=[C:6]([H:10])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-3-5(2)4-6/h1,5-6H,4H2,2H3/t5-/m1/s1","InChI=1S/C5H8O/c1-3-5(2)4-6/h6H,1,4H2,2H3",77.24762,-6.7928,
5799,[C:1]([C@@:2]([C:3]([O:4][H:13])([H:11])[H:12])([C:5]#[C:6][H:14])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]([H:11])[H:12])[H:10])([H:7])([H:8])[H:9].[O:4]([C:5]#[C:6][H:14])[H:13],"InChI=1S/C5H8O/c1-3-5(2)4-6/h1,5-6H,4H2,2H3/t5-/m1/s1","InChI=1S/C3H6.C2H2O/c1-3-2;1-2-3/h3H,1H2,2H3;1,3H",70.1874,27.12025,
5800,[C:1]([C@@:2]([C:3]([O:4][H:13])([H:11])[H:12])([C:5]#[C:6][H:14])[H:10])([H:7])([H:8])[H:9],[C:1]([C:3]([C@@:2]([O:4][H:13])([C:5]#[C:6][H:14])[H:10])([H:11])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-3-5(2)4-6/h1,5-6H,4H2,2H3/t5-/m1/s1","InChI=1S/C5H8O/c1-3-5(6)4-2/h1,5-6H,4H2,2H3/t5-/m0/s1",90.72858000000001,1.51207,
5801,[C:1]([C@@:2]([C:3]([O:4][H:13])([H:11])[H:12])([C:5]#[C:6][H:14])[H:10])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[O:4][C:5]1=[C:6]([H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-3-5(2)4-6/h1,5-6H,4H2,2H3/t5-/m1/s1","InChI=1S/C5H8O/c1-4-3-6-5(4)2/h4H,2-3H2,1H3/t4-/m0/s1",63.72146,-9.76458,
5802,[C:1]([C@@:2]([C:3]([O:4][H:13])([H:11])[H:12])([C:5]#[C:6][H:14])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]([H:11])[H:12])[C:5]#[C:6][H:14])([H:7])([H:8])[H:9].[O:4]([H:10])[H:13],"InChI=1S/C5H8O/c1-3-5(2)4-6/h1,5-6H,4H2,2H3/t5-/m1/s1","InChI=1S/C5H6.H2O/c1-4-5(2)3;/h1H,2H2,3H3;1H2",57.711330000000004,7.55864,"1,3_Insertion_ROR"
5803,[C:1]([C@@:2]([C:3]([O:4][H:13])([H:11])[H:12])([C:5]#[C:6][H:14])[H:10])([H:7])([H:8])[H:9],[C:1]([C:6](=[C:5]=[C:2]([C:3]([O:4][H:13])([H:11])[H:12])[H:10])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-3-5(2)4-6/h1,5-6H,4H2,2H3/t5-/m1/s1","InChI=1S/C5H8O/c1-2-3-4-5-6/h2,4,6H,5H2,1H3",76.40347,-5.5969,
5804,[C:1]([C@@:2]([C:3]([O:4][H:13])([H:11])[H:12])([C:5]#[C:6][H:14])[H:10])([H:7])([H:8])[H:9],[C:1]([C@@:2]([C:3](=[O:4])[H:12])([C:5]#[C:6][H:14])[H:10])([H:7])([H:8])[H:9].[H:11][H:13],"InChI=1S/C5H8O/c1-3-5(2)4-6/h1,5-6H,4H2,2H3/t5-/m1/s1","InChI=1S/C5H6O.H2/c1-3-5(2)4-6;/h1,4-5H,2H3;1H/t5-;/m1./s1",83.74068,21.20808,
5805,[C:1]([C@@:2]([C:3](=[O:4])[H:11])([C:5]#[C:6][H:12])[H:10])([H:7])([H:8])[H:9],[C:1](/[C:2](=[C:3](\[O:4][C:5]#[C:6][H:12])[H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H6O/c1-3-5(2)4-6/h1,4-5H,2H3/t5-/m1/s1","InChI=1S/C5H6O/c1-3-5-6-4-2/h2-3,5H,1H3/b5-3-",80.79965,25.04625,ketoenol
5806,[C:1]([C@@:2]([C:3](=[O:4])[H:11])([C:5]#[C:6][H:12])[H:10])([H:7])([H:8])[H:9],[C:1](/[C:2](=[C:3](\[O:4][H:10])[H:11])[C:5]#[C:6][H:12])([H:7])([H:8])[H:9],"InChI=1S/C5H6O/c1-3-5(2)4-6/h1,4-5H,2H3/t5-/m1/s1","InChI=1S/C5H6O/c1-3-5(2)4-6/h1,4,6H,2H3/b5-4+",59.45721999999999,-1.83132,ketoenol
5807,[C:1]([C@@:2]([C:3](=[O:4])[H:11])([C:5]#[C:6][H:12])[H:10])([H:7])([H:8])[H:9],[C:1]([O:4]/[C:3](=[C:2](/[C:5]#[C:6][H:12])[H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H6O/c1-3-5(2)4-6/h1,4-5H,2H3/t5-/m1/s1","InChI=1S/C5H6O/c1-3-4-5-6-2/h1,4-5H,2H3/b5-4+",69.49155999999999,10.87087,ketoenol
5808,[C:1]([C@@:2]([C:3](=[O:4])[H:11])([C:5]#[C:6][H:12])[H:10])([H:7])([H:8])[H:9],[C-:3]#[O+:4].[C:1]([C:2](=[C:5]=[C:6]([H:11])[H:12])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H6O/c1-3-5(2)4-6/h1,4-5H,2H3/t5-/m1/s1","InChI=1S/C4H6.CO/c1-3-4-2;1-2/h4H,1H2,2H3;",31.32988,-8.59295,
5809,[C:1]([C@@:2]([C:3](=[O:4])[H:11])([C:5]#[C:6][H:12])[H:10])([H:7])([H:8])[H:9],[C:1](/[C:2]([C:3](=[O:4])[H:11])=[C:5](\[C:6][H:12])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H6O/c1-3-5(2)4-6/h1,4-5H,2H3/t5-/m1/s1","InChI=1S/C5H6O/c1-3-5(2)4-6/h1,3-4H,2H3/b5-3+",52.184059999999995,48.60425,
5810,[C:1]([C@@:2]([C:3](=[O:4])[H:11])([C:5]#[C:6][H:12])[H:10])([H:7])([H:8])[H:9],[C:1](=[C:2]([C:5]#[C:6][H:12])[H:10])([H:7])[H:9].[C:3](=[O:4])([H:8])[H:11],"InChI=1S/C5H6O/c1-3-5(2)4-6/h1,4-5H,2H3/t5-/m1/s1","InChI=1S/C4H4.CH2O/c1-3-4-2;1-2/h1,4H,2H2;1H2",66.02684,25.80475,
5811,[C:1]([C@@:2]([C:3](=[O:4])[H:11])([C:5]#[C:6][H:12])[H:10])([H:7])([H:8])[H:9],[C:1]1([H:7])([H:9])[C@:2]([C:3](=[O:4])[H:11])([H:10])[C:5]1=[C:6]([H:8])[H:12],"InChI=1S/C5H6O/c1-3-5(2)4-6/h1,4-5H,2H3/t5-/m1/s1","InChI=1S/C5H6O/c1-4-2-5(4)3-6/h3,5H,1-2H2/t5-/m0/s1",79.20803000000001,-2.26349,
5812,[C:1]([C@@:2]([C:3](=[O:4])[H:11])([C:5]#[C:6][H:12])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:5]=[C:6]([C:3](=[O:4])[H:11])[H:12])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H6O/c1-3-5(2)4-6/h1,4-5H,2H3/t5-/m1/s1","InChI=1S/C5H6O/c1-2-3-4-5-6/h2,4-5H,1H3",44.971270000000004,-13.0456,
5813,[C:1]([C@@:2]([C:3](=[O:4])[H:11])([C:5]#[C:6][H:12])[H:10])([H:7])([H:8])[H:9],[C:1]([C@@:2]([C:3](=[O:4])[H:11])([C:6](=[C:5])[H:12])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H6O/c1-3-5(2)4-6/h1,4-5H,2H3/t5-/m1/s1","InChI=1S/C5H6O/c1-3-5(2)4-6/h3-5H,2H3/t5-/m1/s1",54.57844,52.30387,Singlet_Carbene_Intra_Disproportionation
5814,[C:1]([C@@:2]([C:3](=[O:4])[H:11])([C:5]#[C:6][H:12])[H:10])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:11])=[C:5]1[C:6](=[O:4])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C5H6O/c1-3-5(2)4-6/h1,4-5H,2H3/t5-/m1/s1","InChI=1S/C5H6O/c1-4-2-5(4)3-6/h2-4H,1H3/t4-/m0/s1",79.46096999999999,11.991060000000001,
5815,[C:1]([C@@:2]([C:3](=[O:4])[H:11])([C:5]#[C:6][H:12])[H:10])([H:7])([H:8])[H:9],[C:1]1([H:8])([H:9])[C@:2]([C:3](=[O:4])[H:11])([H:10])[C:5][C:6]1([H:7])[H:12],"InChI=1S/C5H6O/c1-3-5(2)4-6/h1,4-5H,2H3/t5-/m1/s1","InChI=1S/C5H6O/c6-4-5-2-1-3-5/h4-5H,1-2H2/t5-/m1/s1",92.28703,65.64231,
5816,[C:1]([C@@:2]([C:3](=[O:4])[H:11])([C:5]#[C:6][H:12])[H:10])([H:7])([H:8])[H:9],[C:1](=[C:2]([C@@:3]([O:4][H:8])([C:5]#[C:6][H:12])[H:11])[H:10])([H:7])[H:9],"InChI=1S/C5H6O/c1-3-5(2)4-6/h1,4-5H,2H3/t5-/m1/s1","InChI=1S/C5H6O/c1-3-5(6)4-2/h1,4-6H,2H2/t5-/m0/s1",86.40557,12.98822,
5817,[C:1]([C@@:2]([C:3](=[O:4])[H:11])([C:5]#[C:6][H:12])[H:10])([H:7])([H:8])[H:9],[C:1](/[C:2](=[C:3](\[O:4][H:8])[H:11])[H:10])([C:6](=[C:5])[H:12])([H:7])[H:9],"InChI=1S/C5H6O/c1-3-5(2)4-6/h1,4-5H,2H3/t5-/m1/s1","InChI=1S/C5H6O/c1-2-3-4-5-6/h2,4-6H,3H2/b5-4-",109.41211000000001,55.65942,
5818,[C:1]([C@@:2]([C:3](=[O:4])[H:11])([C:5]#[C:6][H:12])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3](=[O:4])[H:11])=[C:5]=[C:6]([H:10])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C5H6O/c1-3-5(2)4-6/h1,4-5H,2H3/t5-/m1/s1","InChI=1S/C5H6O/c1-3-5(2)4-6/h4H,1H2,2H3",55.576330000000006,-14.66106,
5819,[C:1]([C@@:2]([C:3](=[O:4])[H:11])([C:5]#[C:6][H:12])[H:10])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C@:3]([C:6](=[O:4])[H:12])([H:11])[C:5]1)([H:7])([H:8])[H:9],"InChI=1S/C5H6O/c1-3-5(2)4-6/h1,4-5H,2H3/t5-/m1/s1","InChI=1S/C5H6O/c1-4-2-5(4)3-6/h3-5H,1H3/t4-,5-/m1/s1",79.45826,63.13411,
5820,[C:1]([C@@:2]1([O:3][H:10])[C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])([H:7])([H:8])[H:9],[C:1]([C:2]1([O:3][H:10])[C:4]([H:12])=[C:5]1[H:13])([H:7])([H:8])[H:9].[O:6]([H:11])[H:14],"InChI=1S/C4H8O2/c1-4(6)2-3(4)5/h3,5-6H,2H2,1H3/t3-,4-/m1/s1","InChI=1S/C4H6O.H2O/c1-4(5)2-3-4;/h2-3,5H,1H3;1H2",69.50676999999999,31.41047,
5821,[C:1]([C@@:2]1([O:3][H:10])[C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])([H:7])([H:8])[H:9],[C:1]([C@:2]([O:3][H:10])([C:5](=[C:4]([H:11])[H:12])[O:6][H:14])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-4(6)2-3(4)5/h3,5-6H,2H2,1H3/t3-,4-/m1/s1","InChI=1S/C4H8O2/c1-3(5)4(2)6/h4-6H,1H2,2H3/t4-/m0/s1",57.25986999999999,-14.49192,
5822,[C:1]([C@@:2]1([O:3][H:10])[C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([O:3][H:10])[C:4]([H:12])=[C:5]1[O:6][H:14])([H:7])([H:8])[H:9].[H:11][H:13],"InChI=1S/C4H8O2/c1-4(6)2-3(4)5/h3,5-6H,2H2,1H3/t3-,4-/m1/s1","InChI=1S/C4H6O2.H2/c1-4(6)2-3(4)5;/h2,5-6H,1H3;1H/t4-;/m1./s1",106.95296,43.78217,
5823,[C:1]([C@@:2]1([O:3][H:10])[C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])([H:7])([H:8])[H:9],[C:1]([C:2]([O:3][H:10])([C:4]([H:11])([H:12])[H:13])[C:5][O:6][H:14])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-4(6)2-3(4)5/h3,5-6H,2H2,1H3/t3-,4-/m1/s1","InChI=1S/C4H8O2/c1-4(2,6)3-5/h5-6H,1-2H3",51.986470000000004,39.679809999999996,
5824,[C:1]([C@@:2]1([O:3][H:10])[C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])([H:7])([H:8])[H:9],[C:1]([C@:2]([O:3][H:10])(/[C:4](=[C:5](/[O:6][H:14])[H:13])[H:12])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-4(6)2-3(4)5/h3,5-6H,2H2,1H3/t3-,4-/m1/s1","InChI=1S/C4H8O2/c1-4(6)2-3-5/h2-6H,1H3/b3-2+/t4-/m0/s1",69.5571,-8.60488,
5825,[C:1]([C@@:2]1([O:3][H:10])[C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])([H:7])([H:8])[H:9],[C:1]([C:2]1=[C:4]([H:12])[C@:5]1([O:6][H:14])[H:13])([H:7])([H:8])[H:9].[O:3]([H:10])[H:11],"InChI=1S/C4H8O2/c1-4(6)2-3(4)5/h3,5-6H,2H2,1H3/t3-,4-/m1/s1","InChI=1S/C4H6O.H2O/c1-3-2-4(3)5;/h2,4-5H,1H3;1H2/t4-;/m1./s1",69.50091,30.17367,
5826,[C:1]([C@@:2]1([O:3][H:10])[C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])([H:7])([H:8])[H:9],[C:1](=[C:2]1[C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])([H:7])[H:9].[O:3]([H:8])[H:10],"InChI=1S/C4H8O2/c1-4(6)2-3(4)5/h3,5-6H,2H2,1H3/t3-,4-/m1/s1","InChI=1S/C4H6O.H2O/c1-3-2-4(3)5;/h4-5H,1-2H2;1H2/t4-;/m1./s1",66.80511,24.229860000000002,"1,3_Insertion_ROR"
5827,[C:1]([C@@:2]1([O:3][H:10])[C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])([H:7])([H:8])[H:9],[C:1](/[C:2]([O:3][H:10])=[C:4](/[C:5]([O:6][H:14])([H:11])[H:13])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-4(6)2-3(4)5/h3,5-6H,2H2,1H3/t3-,4-/m1/s1","InChI=1S/C4H8O2/c1-4(6)2-3-5/h2,5-6H,3H2,1H3/b4-2-",64.71963000000001,-12.98449,
5828,[C:1]([C@@:2]1([O:3][H:10])[C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])([H:7])([H:8])[H:9],[C:1]([C@@:2]([O:3][H:10])([C:4]([O:6][H:14])([H:11])[H:12])[C:5][H:13])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-4(6)2-3(4)5/h3,5-6H,2H2,1H3/t3-,4-/m1/s1","InChI=1S/C4H8O2/c1-4(2,6)3-5/h1,5-6H,3H2,2H3/t4-/m1/s1",89.94051,77.7472,
5829,[C:1]([C@@:2]1([O:3][H:10])[C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])([H:7])([H:8])[H:9],[C:1]([C:2]1=[C:5]([O:6][H:14])[C:4]1([H:11])[H:12])([H:7])([H:8])[H:9].[O:3]([H:10])[H:13],"InChI=1S/C4H8O2/c1-4(6)2-3(4)5/h3,5-6H,2H2,1H3/t3-,4-/m1/s1","InChI=1S/C4H6O.H2O/c1-3-2-4(3)5;/h5H,2H2,1H3;1H2",72.68937,29.225409999999997,
5830,[C:1]([C@@:2]1([O:3][H:10])[C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])([H:7])([H:8])[H:9],[C:1]([C:2]([O:3][H:10])([C:4]([H:11])([H:12])[H:14])[C:5](=[O:6])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-4(6)2-3(4)5/h3,5-6H,2H2,1H3/t3-,4-/m1/s1","InChI=1S/C4H8O2/c1-4(2,6)3-5/h3,6H,1-2H3",52.72566,-17.99992,
5831,[C:1]([C@@:2]1([O:3][H:10])[C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])([H:7])([H:8])[H:9],[C:1]1([H:7])([H:9])[C:2]2([O:3][H:10])[C:4]([H:11])([H:12])[C:5]12[H:13].[O:6]([H:8])[H:14],"InChI=1S/C4H8O2/c1-4(6)2-3(4)5/h3,5-6H,2H2,1H3/t3-,4-/m1/s1","InChI=1S/C4H6O.H2O/c5-4-1-3(4)2-4;/h3,5H,1-2H2;1H2",88.12168,31.838,
5832,[C:1]([C@@:2]1([O:3][H:10])[C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])([H:7])([H:8])[H:9],[C:1]([C:2](=[O:3])[H:10])([H:7])([H:8])[H:9].[C:4](=[C:5]([O:6][H:14])[H:13])([H:11])[H:12],"InChI=1S/C4H8O2/c1-4(6)2-3(4)5/h3,5-6H,2H2,1H3/t3-,4-/m1/s1","InChI=1S/2C2H4O/c2*1-2-3/h2H,1H3;2-3H,1H2",70.78613,2.80048,
5833,[C:1]([C@@:2]1([O:3][H:10])[C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])([H:7])([H:8])[H:9],[C:1]([C:4](/[C:2]([O:3][H:10])=[C:5](/[O:6][H:14])[H:13])([H:11])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-4(6)2-3(4)5/h3,5-6H,2H2,1H3/t3-,4-/m1/s1","InChI=1S/C4H8O2/c1-2-4(6)3-5/h3,5-6H,2H2,1H3/b4-3-",66.6881,-14.620529999999999,
5834,[C:1]([C@@:2]1([O:3][H:10])[C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])([H:7])([H:8])[H:9],[C:1]([C:2][O:3][H:10])([H:7])([H:8])[H:9].[C:4](=[C:5]([O:6][H:14])[H:13])([H:11])[H:12],"InChI=1S/C4H8O2/c1-4(6)2-3(4)5/h3,5-6H,2H2,1H3/t3-,4-/m1/s1","InChI=1S/2C2H4O/c2*1-2-3/h3H,1H3;2-3H,1H2",47.98467,58.474219999999995,
5835,[C:1]([C@@:2]1([O:3][H:10])[C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])([H:7])([H:8])[H:9],[C:1]([C:2]([O:3][H:10])([C:5](=[C:4]([H:11])[H:12])[H:13])[O:6][H:14])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-4(6)2-3(4)5/h3,5-6H,2H2,1H3/t3-,4-/m1/s1","InChI=1S/C4H8O2/c1-3-4(2,5)6/h3,5-6H,1H2,2H3",47.36598,-13.7227,
5836,[C:1]([C@@:2]1([O:3][H:10])[C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:10].[C:2]1(=[O:3])[C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13],"InChI=1S/C4H8O2/c1-4(6)2-3(4)5/h3,5-6H,2H2,1H3/t3-,4-/m1/s1","InChI=1S/C3H4O2.CH4/c4-2-1-3(2)5;/h2,4H,1H2;1H4/t2-;/m1./s1",83.98813,21.23947,
5837,[C:1]([C@@:2]([C:3]#[C:4][H:11])([C:5]#[N:6])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]=[C:4]([N+:6]#[C-:5])[H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H5N/c1-3-5(2)4-6/h1,5H,2H3/t5-/m0/s1","InChI=1S/C5H5N/c1-3-4-5-6-2/h3,5H,1H3",81.9509,15.17995,
5838,[C:1]([C@@:2]([C:3]#[C:4][H:11])([C:5]#[N:6])[H:10])([H:7])([H:8])[H:9],[C:1]([C@@:2]([C:3](=[C:4])[H:11])([C:5]#[N:6])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H5N/c1-3-5(2)4-6/h1,5H,2H3/t5-/m0/s1","InChI=1S/C5H5N/c1-3-5(2)4-6/h3,5H,2H3/t5-/m0/s1",45.29828,52.19569,Singlet_Carbene_Intra_Disproportionation
5839,[C:1]([C@@:2]([C:3]#[C:4][H:11])([C:5]#[N:6])[H:10])([H:7])([H:8])[H:9],[C:1]([C@@:2]([C:3]#[C:4][H:11])([N+:6]#[C-:5])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H5N/c1-3-5(2)4-6/h1,5H,2H3/t5-/m0/s1","InChI=1S/C5H5N/c1-4-5(2)6-3/h1,5H,2H3/t5-/m0/s1",56.92694,25.44639,
5840,[C:1]([C@@:2]([C:3]#[C:4][H:11])([C:5]#[N:6])[H:10])([H:7])([H:8])[H:9],[C+:2]([C:3]#[C:4][H:11])=[C:5]=[N-:6].[C:1]([H:7])([H:8])([H:9])[H:10],"InChI=1S/C5H5N/c1-3-5(2)4-6/h1,5H,2H3/t5-/m0/s1",InChI=1S/C4HN.CH4/c1-2-3-4-5;/h1H;1H4,67.48504,63.50337,
5841,[C:1]([C@@:2]([C:3]#[C:4][H:11])([C:5]#[N:6])[H:10])([H:7])([H:8])[H:9],[C:1]1([H:7])([H:8])[C@@:2]([C:5]#[N:6])([H:10])[C:3][C:4]1([H:9])[H:11],"InChI=1S/C5H5N/c1-3-5(2)4-6/h1,5H,2H3/t5-/m0/s1","InChI=1S/C5H5N/c6-4-5-2-1-3-5/h5H,1-2H2/t5-/m0/s1",91.50702,59.87801999999999,
5842,[C:1]([C@@:2]([C:3]#[C:4][H:11])([C:5]#[N:6])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]=[C:4]([H:10])[H:11])[C:5]#[N:6])([H:7])([H:8])[H:9],"InChI=1S/C5H5N/c1-3-5(2)4-6/h1,5H,2H3/t5-/m0/s1","InChI=1S/C5H5N/c1-3-5(2)4-6/h1H2,2H3",55.98713000000001,-12.74425,
5843,[C:1]([C@@:2]([C:3]#[C:4][H:11])([C:5]#[N:6])[H:10])([H:7])([H:8])[H:9],[C:1](/[C:2](=[C:3](\[C:4][H:11])[H:10])[C:5]#[N:6])([H:7])([H:8])[H:9],"InChI=1S/C5H5N/c1-3-5(2)4-6/h1,5H,2H3/t5-/m0/s1","InChI=1S/C5H5N/c1-3-5(2)4-6/h1,3H,2H3/b5-3+",55.907169999999994,48.91341,
5844,[C:1]([C@@:2]([C:3]#[C:4][H:11])([C:5]#[N:6])[H:10])([H:7])([H:8])[H:9],[C:1](/[C:2](=[C:3](\[C:4][H:11])[C:5]#[N:6])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H5N/c1-3-5(2)4-6/h1,5H,2H3/t5-/m0/s1","InChI=1S/C5H5N/c1-3-5(2)4-6/h2-3H,1H3/b5-3+",67.31308,50.77543,
5845,[C:1]([C@@:2]([C:3]#[C:4][H:11])([C:5]#[N:6])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]#[C:4][H:11])=[C:5]=[N:6][H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H5N/c1-3-5(2)4-6/h1,5H,2H3/t5-/m0/s1","InChI=1S/C5H5N/c1-3-5(2)4-6/h1,6H,2H3",69.24283,10.77098,
5846,[N:1]#[C:2][C:3]1([H:6])[C:4]([H:7])([H:8])[C:5]1([H:9])[H:10],[N+:1](#[C-:2])[C:3]1([H:6])[C:4]([H:7])([H:8])[C:5]1([H:9])[H:10],"InChI=1S/C4H5N/c5-3-4-1-2-4/h4H,1-2H2","InChI=1S/C4H5N/c1-5-4-2-3-4/h4H,2-3H2",61.73993000000001,27.094859999999997,
5847,[N:1]#[C:2][C:3]1([H:6])[C:4]([H:7])([H:8])[C:5]1([H:9])[H:10],[N-:1]=[C:2]=[C+:3][C:5]([C:4]([H:6])([H:7])[H:8])([H:9])[H:10],"InChI=1S/C4H5N/c5-3-4-1-2-4/h4H,1-2H2","InChI=1S/C4H5N/c1-2-3-4-5/h2H2,1H3",63.00042,59.26679,
5848,[N:1]#[C:2][C:3]1([H:6])[C:4]([H:7])([H:8])[C:5]1([H:9])[H:10],[N:1]#[C:2][C:5]([C:4]([C:3][H:6])([H:7])[H:8])([H:9])[H:10],"InChI=1S/C4H5N/c5-3-4-1-2-4/h4H,1-2H2","InChI=1S/C4H5N/c1-2-3-4-5/h1H,2-3H2",80.47734,79.52519000000001,
5849,[N:1]#[C:2][C:3]1([H:6])[C:4]([H:7])([H:8])[C:5]1([H:9])[H:10],[N:1]#[C:2][C:5]([C:3](=[C:4]([H:7])[H:8])[H:6])([H:9])[H:10],"InChI=1S/C4H5N/c5-3-4-1-2-4/h4H,1-2H2","InChI=1S/C4H5N/c1-2-3-4-5/h2H,1,3H2",80.4632,-3.66185,
5850,[N:1]#[C:2][C:3]1([H:6])[C:4]([H:7])([H:8])[C:5]1([H:9])[H:10],[N:1]1=[C:2]=[C:3]([H:6])[C:4]([H:7])([H:8])[C:5]1([H:9])[H:10],"InChI=1S/C4H5N/c5-3-4-1-2-4/h4H,1-2H2","InChI=1S/C4H5N/c1-2-4-5-3-1/h1H,2,4H2",79.51278,67.09255999999999,
5851,[N:1]#[C:2][C:3]1([H:6])[C:4]([H:7])([H:8])[C:5]1([H:9])[H:10],[N:1](=[C+:2][C@:3]1([H:6])[C:4]([H:7])([H:8])[C-:5]1[H:10])[H:9],"InChI=1S/C4H5N/c5-3-4-1-2-4/h4H,1-2H2","InChI=1S/C4H5N/c5-3-4-1-2-4/h1,4-5H,2H2/t4-/m0/s1",118.33653999999999,78.87514,
5852,[N:1]1([H:7])[C@@:2]2([H:8])[C@:3]1([H:9])[C@@:4]1([H:10])[O:5][C@@:6]21[H:11],[N:1](=[C:3](\[C@@:4]1([H:10])[O:5][C@:6]1([C:2][H:8])[H:11])[H:9])\[H:7],"InChI=1S/C4H5NO/c5-1-2(5)4-3(1)6-4/h1-5H/t1-,2+,3-,4+","InChI=1S/C4H5NO/c1-3-4(2-5)6-3/h1-5H/b5-2-/t3-,4+/m0/s1",47.0104,36.39642,
5853,[N:1]1([H:7])[C@@:2]2([H:8])[C@:3]1([H:9])[C@@:4]1([H:10])[O:5][C@@:6]21[H:11],[N:1]1([H:7])[C@@:2]2([H:8])[C@:3]1([H:9])[C:4]([H:10])([H:11])[O+:5]=[C-:6]2,"InChI=1S/C4H5NO/c5-1-2(5)4-3(1)6-4/h1-5H/t1-,2+,3-,4+","InChI=1S/C4H5NO/c1-3-4(5-3)2-6-1/h3-5H,1H2/t3-,4+/m0/s1",54.28144,-1.8903,
5854,[N:1]1([H:7])[C@@:2]2([H:8])[C@:3]1([H:9])[C@@:4]1([H:10])[O:5][C@@:6]21[H:11],[N:1]1([H:7])[C@@:2]([C@@:6]2([H:11])[C-:4]=[O+:5]2)([H:8])[C:3]1([H:9])[H:10],"InChI=1S/C4H5NO/c5-1-2(5)4-3(1)6-4/h1-5H/t1-,2+,3-,4+","InChI=1S/C4H5NO/c1-3(5-1)4-2-6-4/h3-5H,1H2/t3-,4+/m0/s1",40.96573,16.05646,
5855,[N:1]1([H:7])[C@@:2]2([H:8])[C@:3]1([H:9])[C@@:4]1([H:10])[O:5][C@@:6]21[H:11],[H:10][H:11].[N:1]1([H:7])[C@:2]2([H:8])[C@@:3]1([H:9])[C:4][O+:5]=[C-:6]2,"InChI=1S/C4H5NO/c5-1-2(5)4-3(1)6-4/h1-5H/t1-,2+,3-,4+","InChI=1S/C4H3NO.H2/c1-3-4(5-3)2-6-1;/h3-5H;1H/t3-,4+;",95.81903,93.90801,
5856,[N:1]1([H:7])[C@@:2]2([H:8])[C@:3]1([H:9])[C@@:4]1([H:10])[O:5][C@@:6]21[H:11],[N:1]1([H:7])[C@@:2]2([H:8])[C@:3]1([H:9])[C@:4]2([O+:5]=[C-:6][H:11])[H:10],"InChI=1S/C4H5NO/c5-1-2(5)4-3(1)6-4/h1-5H/t1-,2+,3-,4+","InChI=1S/C4H5NO/c1-6-4-2-3(4)5-2/h1-5H/t2-,3+,4-",69.71469,47.72068,
5857,[N:1]1([H:7])[C@@:2]2([H:8])[C@:3]1([H:9])[C@@:4]1([H:10])[O:5][C@@:6]21[H:11],[N:1]1([H:7])[C:2]([H:8])([H:9])[C@@:6]2([H:11])[C@@:4]([H:10])([C:3]1)[O:5]2,"InChI=1S/C4H5NO/c5-1-2(5)4-3(1)6-4/h1-5H/t1-,2+,3-,4+","InChI=1S/C4H5NO/c1-3-4(6-3)2-5-1/h3-5H,1H2/t3-,4+/m0/s1",55.59788,37.58671,
5858,[N:1]1([H:7])[C@@:2]2([H:8])[C@:3]1([H:9])[C@@:4]1([H:10])[O:5][C@@:6]21[H:11],[N:1]1=[C:2]([H:8])[C@@:6]2([H:11])[C@@:4]([H:10])([C:3]1([H:7])[H:9])[O:5]2,"InChI=1S/C4H5NO/c5-1-2(5)4-3(1)6-4/h1-5H/t1-,2+,3-,4+","InChI=1S/C4H5NO/c1-3-4(6-3)2-5-1/h1,3-4H,2H2/t3-,4+/m0/s1",57.19866999999999,-47.161,
5859,[N:1]1([H:7])[C@@:2]2([H:8])[C@:3]1([H:9])[C@@:4]1([H:10])[O:5][C@@:6]21[H:11],[N:1](=[C:2]([C:3](=[C:4](/[C:6](=[O:5])[H:11])[H:10])\[H:9])/[H:8])\[H:7],"InChI=1S/C4H5NO/c5-1-2(5)4-3(1)6-4/h1-5H/t1-,2+,3-,4+","InChI=1S/C4H5NO/c5-3-1-2-4-6/h1-5H/b2-1-,5-3-",33.67726,-63.70652,
5860,[N:1]1([H:7])[C@@:2]2([H:8])[C@:3]1([H:9])[C@@:4]1([H:10])[O:5][C@@:6]21[H:11],[N:1]([C:2][H:8])([C@@:3]1([H:9])[C@@:4]2([H:10])[O:5][C@@:6]12[H:11])[H:7],"InChI=1S/C4H5NO/c5-1-2(5)4-3(1)6-4/h1-5H/t1-,2+,3-,4+","InChI=1S/C4H5NO/c1-5-2-3-4(2)6-3/h1-5H/t2-,3+,4-",73.24831,43.42561,
5861,[N:1]1([H:7])[C@@:2]2([H:8])[C@:3]1([H:9])[C@@:4]1([H:10])[O:5][C@@:6]21[H:11],[N:1]1([H:7])[C@@:2]([C:6](=[O:5])[H:11])([H:8])[C@@:3]1([C:4][H:10])[H:9],"InChI=1S/C4H5NO/c5-1-2(5)4-3(1)6-4/h1-5H/t1-,2+,3-,4+","InChI=1S/C4H5NO/c1-3-4(2-6)5-3/h1-5H/t3-,4+/m0/s1",43.37682,31.04468,
5862,[N:1]1([H:7])[C@@:2]2([H:8])[C@:3]1([H:9])[C@@:4]1([H:10])[O:5][C@@:6]21[H:11],[N:1]1([H:7])[C@@:2]2([H:8])[C:3]([H:9])=[C:4]([H:10])[O:5][C@@:6]12[H:11],"InChI=1S/C4H5NO/c5-1-2(5)4-3(1)6-4/h1-5H/t1-,2+,3-,4+","InChI=1S/C4H5NO/c1-2-6-4-3(1)5-4/h1-5H/t3-,4+/m0/s1",46.139509999999994,-45.99348,
5863,[N:1]1([H:7])[C@@:2]2([H:8])[C@:3]1([H:9])[C@@:4]1([H:10])[O:5][C@@:6]21[H:11],[N:1]1([H:7])[C:2]([H:8])=[C:6]([H:11])[O:5][C:4]([H:10])=[C:3]1[H:9],"InChI=1S/C4H5NO/c5-1-2(5)4-3(1)6-4/h1-5H/t1-,2+,3-,4+",InChI=1S/C4H5NO/c1-3-6-4-2-5-1/h1-5H,46.74048,-51.84492,
5864,[N:1]1([H:7])[C@@:2]2([H:8])[C@:3]1([H:9])[C@@:4]1([H:10])[O:5][C@@:6]21[H:11],[N:1]1([H:7])[C@@:2]2([H:8])[C@:3]1([H:9])[C@:4]([O:5][H:11])([H:10])[C:6]2,"InChI=1S/C4H5NO/c5-1-2(5)4-3(1)6-4/h1-5H/t1-,2+,3-,4+","InChI=1S/C4H5NO/c6-3-1-2-4(3)5-2/h2-6H/t2-,3+,4-/m1/s1",60.02721,29.551779999999997,
5865,[C:1]([C@@:2]([O:3][H:10])([C:4]#[N:5])[H:9])([H:6])([H:7])[H:8],[C:1]([C:2](=[C:4]=[N:5][O:3][H:10])[H:9])([H:6])([H:7])[H:8],"InChI=1S/C3H5NO/c1-3(5)2-4/h3,5H,1H3/t3-/m1/s1","InChI=1S/C3H5NO/c1-2-3-4-5/h2,5H,1H3",87.33955,48.44547,
5866,[C:1]([C@@:2]([O:3][H:10])([C:4]#[N:5])[H:9])([H:6])([H:7])[H:8],[C:1](=[C:2]([O:3][H:10])[H:9])([H:6])[H:8].[C:4](#[N:5])[H:7],"InChI=1S/C3H5NO/c1-3(5)2-4/h3,5H,1H3/t3-/m1/s1","InChI=1S/C2H4O.CHN/c1-2-3;1-2/h2-3H,1H2;1H",86.42873,23.83758,
5867,[C:1]([C@@:2]([O:3][H:10])([C:4]#[N:5])[H:9])([H:6])([H:7])[H:8],[C:1]([C@@:2]([O:3][H:10])([N+:5]#[C-:4])[H:9])([H:6])([H:7])[H:8],"InChI=1S/C3H5NO/c1-3(5)2-4/h3,5H,1H3/t3-/m1/s1","InChI=1S/C3H5NO/c1-3(5)4-2/h3,5H,1H3/t3-/m1/s1",50.209540000000004,21.243660000000002,
5868,[C:1]([C@@:2]([O:3][H:10])([C:4]#[N:5])[H:9])([H:6])([H:7])[H:8],[C:1]([C:2](=[O:3])[H:9])([H:6])([H:7])[H:8].[C:4]=[N:5][H:10],"InChI=1S/C3H5NO/c1-3(5)2-4/h3,5H,1H3/t3-/m1/s1","InChI=1S/C2H4O.CHN/c1-2-3;1-2/h2H,1H3;2H",51.93502,34.48209,
5869,[C:1]([C@@:2]([O:3][H:10])([C:4]#[N:5])[H:9])([H:6])([H:7])[H:8],[C:1]([C:2]([O:3][H:10])=[C:4]=[N:5][H:9])([H:6])([H:7])[H:8],"InChI=1S/C3H5NO/c1-3(5)2-4/h3,5H,1H3/t3-/m1/s1","InChI=1S/C3H5NO/c1-3(5)2-4/h4-5H,1H3",83.41301,19.57263,
5870,[C:1]([C@@:2]([O:3][H:10])([C:4]#[N:5])[H:9])([H:6])([H:7])[H:8],[C:1]1([H:6])([H:8])[C@:2]([O:3][H:10])([H:9])/[C:4]1=[N:5]/[H:7],"InChI=1S/C3H5NO/c1-3(5)2-4/h3,5H,1H3/t3-/m1/s1","InChI=1S/C3H5NO/c4-2-1-3(2)5/h3-5H,1H2/b4-2+/t3-/m1/s1",105.51081,33.330659999999995,
5871,[C:1]([C@@:2]([O:3][H:10])([C:4]#[N:5])[H:9])([H:6])([H:7])[H:8],[C:1]([C+:2]=[C:4]=[N-:5])([H:6])([H:7])[H:8].[O:3]([H:9])[H:10],"InChI=1S/C3H5NO/c1-3(5)2-4/h3,5H,1H3/t3-/m1/s1",InChI=1S/C3H3N.H2O/c1-2-3-4;/h1H3;1H2,65.17296,74.68205,
5872,[C:1]([C@@:2]([O:3][H:10])([C:4]#[N:5])[H:9])([H:6])([H:7])[H:8],[C+:2](=[C:4]=[N-:5])[H:9].[C:1]([O:3][H:10])([H:6])([H:7])[H:8],"InChI=1S/C3H5NO/c1-3(5)2-4/h3,5H,1H3/t3-/m1/s1","InChI=1S/C2HN.CH4O/c1-2-3;1-2/h1H;2H,1H3",101.85831,98.57793000000001,
5873,[C:1]([C@@:2]([O:3][H:10])([C:4]#[N:5])[H:9])([H:6])([H:7])[H:8],[C:1]([C@@:2]1([H:9])[C:4]([O:3][H:10])=[N:5]1)([H:6])([H:7])[H:8],"InChI=1S/C3H5NO/c1-3(5)2-4/h3,5H,1H3/t3-/m1/s1","InChI=1S/C3H5NO/c1-2-3(5)4-2/h2H,1H3,(H,4,5)/t2-/m0/s1",71.18121,25.926070000000003,
5874,[C:1]([C@@:2]([O:3][H:10])([C:4]#[N:5])[H:9])([H:6])([H:7])[H:8],[C+:2]([O:3][H:10])=[C:4]=[N-:5].[C:1]([H:6])([H:7])([H:8])[H:9],"InChI=1S/C3H5NO/c1-3(5)2-4/h3,5H,1H3/t3-/m1/s1",InChI=1S/C2HNO.CH4/c3-1-2-4;/h4H;1H4,69.14725,57.832930000000005,
5875,[C:1]([C:2]([C:3](=[O:4])[C:5]#[C:6][H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]#[C:5][C:6](=[O:4])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H6O/c1-3-5(6)4-2/h1H,4H2,2H3","InChI=1S/C5H6O/c1-2-3-4-5-6/h5H,2H2,1H3",71.54212,0.34267,
5876,[C:1]([C:2]([C:3](=[O:4])[C:5]#[C:6][H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]([H:10])[H:11])([H:7])[H:8].[C:3](=[O:4])=[C:5]=[C:6]([H:9])[H:12],"InChI=1S/C5H6O/c1-3-5(6)4-2/h1H,4H2,2H3",InChI=1S/C3H2O.C2H4/c1-2-3-4;1-2/h1H2;1-2H2,37.67696,22.38564,Retroene
5877,[C:1]([C:2]([C:3](=[O:4])[C:5]#[C:6][H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([O+:4]=[C-:3][C:5]#[C:6][H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H6O/c1-3-5(6)4-2/h1H,4H2,2H3","InChI=1S/C5H6O/c1-3-5-6-4-2/h1H,4H2,2H3",103.30604,59.71748,
5878,[C:1]([C:2]([C:3](=[O:4])[C:5]#[C:6][H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:4][C:3](=[C:2]([H:10])[H:11])[C:5]#[C:6][H:12])([H:7])([H:8])[H:9],"InChI=1S/C5H6O/c1-3-5(6)4-2/h1H,4H2,2H3","InChI=1S/C5H6O/c1-4-5(2)6-3/h1H,2H2,3H3",82.06817,19.29508,ketoenol
5879,[C:1]([C:2]([C:3](=[O:4])[C:5]#[C:6][H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3](=[O:4])[C:5](=[C:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H6O/c1-3-5(6)4-2/h1H,4H2,2H3","InChI=1S/C5H6O/c1-3-5(6)4-2/h4H,3H2,1H3",43.20943,49.05142,Singlet_Carbene_Intra_Disproportionation
5880,[C:1]([C:2]([C:3](=[O:4])[C:5]#[C:6][H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](/[C:2](=[C:3](\[O:4][H:10])[C:5]#[C:6][H:12])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H6O/c1-3-5(6)4-2/h1H,4H2,2H3","InChI=1S/C5H6O/c1-3-5(6)4-2/h1,4,6H,2H3/b5-4-",65.16896,4.68393,ketoenol
5881,[C:1]([C:2]([C:3](=[O:4])[C:5]#[C:6][H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C-:3]=[O+:4][C:5]#[C:6][H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H6O/c1-3-5(6)4-2/h1H,4H2,2H3","InChI=1S/C5H6O/c1-3-5-6-4-2/h2H,3H2,1H3",96.43312,80.91645,
5882,[C:1]([C:2]([C:3](=[O:4])[C:5]#[C:6][H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:11])[C@@:3]([C:5]#[C:6][H:12])([H:10])[O:4]1)([H:7])([H:8])[H:9],"InChI=1S/C5H6O/c1-3-5(6)4-2/h1H,4H2,2H3","InChI=1S/C5H6O/c1-3-5-4(2)6-5/h1,4-5H,2H3/t4-,5-/m0/s1",83.14985,24.71641,
5883,[O:1]([C:2]([C:3](=[O:4])[C:5](=[O:6])[H:10])([H:8])[H:9])[H:7],[O:1]=[C:2]([C:3]([O:4][H:7])([C:5](=[O:6])[H:10])[H:9])[H:8],"InChI=1S/C3H4O3/c4-1-3(6)2-5/h1,5H,2H2","InChI=1S/C3H4O3/c4-1-3(6)2-5/h1-3,6H",35.23787,-0.23533,
5884,[O:1]([C:2]([C:3](=[O:4])[C:5](=[O:6])[H:10])([H:8])[H:9])[H:7],[O:1]([O:4][C:3](=[C:2]([H:8])[H:9])[C:5](=[O:6])[H:10])[H:7],"InChI=1S/C3H4O3/c4-1-3(6)2-5/h1,5H,2H2","InChI=1S/C3H4O3/c1-3(2-4)6-5/h2,5H,1H2",92.01751999999999,62.66607,ketoenol
5885,[O:1]([C:2]([C:3](=[O:4])[C:5](=[O:6])[H:10])([H:8])[H:9])[H:7],[C-:3]#[O+:4].[C-:5]#[O+:6].[O:1]([C:2]([H:8])([H:9])[H:10])[H:7],"InChI=1S/C3H4O3/c4-1-3(6)2-5/h1,5H,2H2","InChI=1S/CH4O.2CO/c3*1-2/h2H,1H3;;",61.12636,1.9674900000000002,
5886,[O:1]([C:2]([C:3](=[O:4])[C:5](=[O:6])[H:10])([H:8])[H:9])[H:7],[O:1]([C:2]([c:3]1[o:4][o:6][c:5]1[H:10])([H:8])[H:9])[H:7],"InChI=1S/C3H4O3/c4-1-3(6)2-5/h1,5H,2H2","InChI=1S/C3H4O3/c4-1-3-2-5-6-3/h2,4H,1H2",96.26454,87.7712,
5887,[O:1]([C:2]([C:3](=[O:4])[C:5](=[O:6])[H:10])([H:8])[H:9])[H:7],[O:1]([C:2]([C-:3]=[O+:4][C:5](=[O:6])[H:10])([H:8])[H:9])[H:7],"InChI=1S/C3H4O3/c4-1-3(6)2-5/h1,5H,2H2","InChI=1S/C3H4O3/c4-1-2-6-3-5/h3-4H,1H2",55.18521,57.11431999999999,
5888,[O:1]([C:2]([C:3](=[O:4])[C:5](=[O:6])[H:10])([H:8])[H:9])[H:7],[O:1]([O:6]/[C:5](=[C:3]1\[C:2]([H:8])([H:9])[O:4]1)[H:10])[H:7],"InChI=1S/C3H4O3/c4-1-3(6)2-5/h1,5H,2H2","InChI=1S/C3H4O3/c4-6-2-3-1-5-3/h2,4H,1H2/b3-2+",111.2329,98.86036,
5889,[O:1]([C:2]([C:3](=[O:4])[C:5](=[O:6])[H:10])([H:8])[H:9])[H:7],[O:1]([C:2]([C:3](=[O:4])[O+:6]=[C-:5][H:10])([H:8])[H:9])[H:7],"InChI=1S/C3H4O3/c4-1-3(6)2-5/h1,5H,2H2","InChI=1S/C3H4O3/c1-6-3(5)2-4/h1,4H,2H2",62.51579,57.92261,
5890,[O:1]([C:2]([C:3](=[O:4])[C:5](=[O:6])[H:10])([H:8])[H:9])[H:7],[O:1]([C:2]([C:3]([O-:4])=[C+:5][O:6][H:10])([H:8])[H:9])[H:7],"InChI=1S/C3H4O3/c4-1-3(6)2-5/h1,5H,2H2","InChI=1S/C3H4O3/c4-1-3(6)2-5/h4H,1H2,(H-,5,6)",82.71454,48.96347,
5891,[O:1]([C:2]([C:3](=[O:4])[C:5](=[O:6])[H:10])([H:8])[H:9])[H:7],[C-:5]#[O+:6].[O:1]([C:2]([C:3][O:4][H:10])([H:8])[H:9])[H:7],"InChI=1S/C3H4O3/c4-1-3(6)2-5/h1,5H,2H2","InChI=1S/C2H4O2.CO/c3-1-2-4;1-2/h3-4H,1H2;",55.08254,54.50585,
5892,[O:1]([C:2]([C:3](=[O:4])[C:5](=[O:6])[H:10])([H:8])[H:9])[H:7],[O:1]1[C:2]([H:8])([H:9])[C@:3]1([O:4][H:7])[C:5](=[O:6])[H:10],"InChI=1S/C3H4O3/c4-1-3(6)2-5/h1,5H,2H2","InChI=1S/C3H4O3/c4-1-3(5)2-6-3/h1,5H,2H2/t3-/m0/s1",49.682759999999995,18.97912,
5893,[O:1]([C:2]([C:3](=[O:4])[C:5](=[O:6])[H:10])([H:8])[H:9])[H:7],[O:1]([C:2]([O:6][C:5](=[C:3]=[O:4])[H:10])([H:8])[H:9])[H:7],"InChI=1S/C3H4O3/c4-1-3(6)2-5/h1,5H,2H2","InChI=1S/C3H4O3/c4-1-2-6-3-5/h2,5H,3H2",67.44811999999999,21.46955,ketoenol
5894,[O:1]([C:2]([C:3](=[O:4])[C:5](=[O:6])[H:10])([H:8])[H:9])[H:7],[O:1]([C@:2]1([H:9])[C:3](=[O:4])[C:5]([H:8])([H:10])[O:6]1)[H:7],"InChI=1S/C3H4O3/c4-1-3(6)2-5/h1,5H,2H2","InChI=1S/C3H4O3/c4-2-1-6-3(2)5/h3,5H,1H2/t3-/m0/s1",54.47059,11.60263,
5895,[O:1]([C:2]([C:3](=[O:4])[C:5](=[O:6])[H:10])([H:8])[H:9])[H:7],[C:5](=[O:6])([H:8])[H:10].[O:1]([C:2](=[C:3]=[O:4])[H:9])[H:7],"InChI=1S/C3H4O3/c4-1-3(6)2-5/h1,5H,2H2","InChI=1S/C2H2O2.CH2O/c3-1-2-4;1-2/h1,3H;1H2",54.892140000000005,35.626540000000006,Retroene
5896,[C:1]1([H:7])([H:8])[C@:2]2([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@:6]12[H:16],[C:1]1([H:7])=[C:6]([H:16])[C:2]1([C:3]([C:4]([C:5]([H:8])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])[H:9],"InChI=1S/C6H10/c1-2-5-4-6(5)3-1/h5-6H,1-4H2/t5-,6+","InChI=1S/C6H10/c1-2-3-6-4-5-6/h4-6H,2-3H2,1H3",92.44277,39.50878,
5897,[C:1]1([H:7])([H:8])[C@:2]2([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@:6]12[H:16],[C:1]1([H:7])([H:8])[C@:2]([C:3]([C:4]([H:12])([H:13])[H:14])([H:10])[H:11])([H:9])[C@:6]1([C:5][H:15])[H:16],"InChI=1S/C6H10/c1-2-5-4-6(5)3-1/h5-6H,1-4H2/t5-,6+","InChI=1S/C6H10/c1-3-6-4-5(6)2/h2,5-6H,3-4H2,1H3/t5-,6+/m0/s1",84.52391999999999,86.0337,
5898,[C:1]1([H:7])([H:8])[C@:2]2([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@:6]12[H:16],[C:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]1)([H:7])([H:8])[H:16],"InChI=1S/C6H10/c1-2-5-4-6(5)3-1/h5-6H,1-4H2/t5-,6+","InChI=1S/C6H10/c1-6-4-2-3-5-6/h6H,2-4H2,1H3/t6-/m0/s1",64.13852,64.97339000000001,
5899,[C:1]1([H:7])([H:8])[C@:2]2([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@:6]12[H:16],[C:1]1([H:7])([H:8])[C:2]([C:6][H:16])([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]1([H:14])[H:15],"InChI=1S/C6H10/c1-2-5-4-6(5)3-1/h5-6H,1-4H2/t5-,6+","InChI=1S/C6H10/c1-6-4-2-3-5-6/h1,6H,2-5H2",109.07543000000001,73.71727,
5900,[C:1]1([H:7])([H:8])[C@:2]2([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@:6]12[H:16],[C:1](=[C:6](/[C:2](=[C:3](\[C:4]([C:5]([H:10])([H:14])[H:15])([H:12])[H:13])[H:11])[H:9])[H:16])([H:7])[H:8],"InChI=1S/C6H10/c1-2-5-4-6(5)3-1/h5-6H,1-4H2/t5-,6+","InChI=1S/C6H10/c1-3-5-6-4-2/h3,5-6H,1,4H2,2H3/b6-5-",123.58939,5.29662,
5901,[C:1]1([H:7])([H:8])[C@:2]2([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@:6]12[H:16],[C:1]1([H:7])([H:8])[C:2][C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]1([H:9])[H:16],"InChI=1S/C6H10/c1-2-5-4-6(5)3-1/h5-6H,1-4H2/t5-,6+",InChI=1S/C6H10/c1-2-4-6-5-3-1/h1-5H2,65.48216,69.24288,
5902,[C:1]1([H:7])([H:8])[C@:2]2([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@:6]12[H:16],[C:1]1([H:7])([H:8])[C:2][C@:6]1([C:5]([C:4]([C:3]([H:9])([H:10])[H:11])([H:12])[H:13])([H:14])[H:15])[H:16],"InChI=1S/C6H10/c1-2-5-4-6(5)3-1/h5-6H,1-4H2/t5-,6+","InChI=1S/C6H10/c1-2-3-6-4-5-6/h6H,2-4H2,1H3/t6-/m0/s1",80.10388,87.32603,
5903,[C:1]1([H:7])([H:8])[C@:2]2([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@:6]12[H:16],[C:1](=[C:6]([C:2](=[C:3]([H:10])[H:11])[H:9])[H:16])([H:7])[H:8].[C:4](=[C:5]([H:14])[H:15])([H:12])[H:13],"InChI=1S/C6H10/c1-2-5-4-6(5)3-1/h5-6H,1-4H2/t5-,6+","InChI=1S/C4H6.C2H4/c1-3-4-2;1-2/h3-4H,1-2H2;1-2H2",76.11359,30.130029999999998,
5904,[C:1]1([H:7])([H:8])[C@:2]2([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@:6]12[H:16],[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]([H:15])=[C:6]12.[H:14][H:16],"InChI=1S/C6H10/c1-2-5-4-6(5)3-1/h5-6H,1-4H2/t5-,6+","InChI=1S/C6H8.H2/c1-2-5-4-6(5)3-1;/h2,6H,1,3-4H2;1H/t6-;/m1./s1",107.40507,62.68903,
5905,[C:1]1([H:7])([H:8])[C@:2]2([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@:6]12[H:16],[C:1](/[C:2](=[C:3](\[C:4]([H:10])([H:12])[H:13])[H:11])[H:9])([C:6](=[C:5]([H:14])[H:15])[H:16])([H:7])[H:8],"InChI=1S/C6H10/c1-2-5-4-6(5)3-1/h5-6H,1-4H2/t5-,6+","InChI=1S/C6H10/c1-3-5-6-4-2/h3-4,6H,1,5H2,2H3/b6-4-",77.78096,7.888719999999999,
5906,[C:1]1([H:7])([H:8])[C@:2]2([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@:6]12[H:16],[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])=[C:5]([H:15])[C@@:6]12[H:16].[H:13][H:14],"InChI=1S/C6H10/c1-2-5-4-6(5)3-1/h5-6H,1-4H2/t5-,6+","InChI=1S/C6H8.H2/c1-2-5-4-6(5)3-1;/h1-2,5-6H,3-4H2;1H/t5-,6+;/m0./s1",102.14141,28.506140000000002,
5907,[C:1]1([H:7])([H:8])[C@:2]2([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@:6]12[H:16],[C:1]1([H:8])=[C:2]([H:9])[C:6]1([C:5]([H:7])([H:14])[H:15])[H:16].[C:3](=[C:4]([H:12])[H:13])([H:10])[H:11],"InChI=1S/C6H10/c1-2-5-4-6(5)3-1/h5-6H,1-4H2/t5-,6+","InChI=1S/C4H6.C2H4/c1-4-2-3-4;1-2/h2-4H,1H3;1-2H2",117.24715,61.18744,
5908,[C:1]1([H:7])([H:8])[C@:2]2([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@:6]12[H:16],[C:1]([C:2][H:9])([C:6]1([H:16])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]1([H:14])[H:15])([H:7])[H:8],"InChI=1S/C6H10/c1-2-5-4-6(5)3-1/h5-6H,1-4H2/t5-,6+","InChI=1S/C6H10/c1-2-6-4-3-5-6/h1,6H,2-5H2",102.53251999999999,98.92466,
5909,[C:1]1([H:7])([H:8])[C@:2]2([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@:6]12[H:16],[C:1]1([H:8])=[C:2]([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]([H:15])=[C:6]1[H:16].[H:7][H:14],"InChI=1S/C6H10/c1-2-5-4-6(5)3-1/h5-6H,1-4H2/t5-,6+","InChI=1S/C6H8.H2/c1-2-4-6-5-3-1;/h1-4H,5-6H2;1H",90.26855,15.119110000000001,
5910,[N:1]([c:2]1[n:3][c:4]([H:9])[c:5]([H:10])[o:6]1)([H:7])[H:8],[N:1]([C@:4]([N+:3]#[C-:2])([C:5](=[O:6])[H:10])[H:9])([H:7])[H:8],"InChI=1S/C3H4N2O/c4-3-5-1-2-6-3/h1-2H,(H2,4,5)","InChI=1S/C3H4N2O/c1-5-3(4)2-6/h2-3H,4H2/t3-/m1/s1",98.73823,41.0881,
5911,[N:1]([c:2]1[n:3][c:4]([H:9])[c:5]([H:10])[o:6]1)([H:7])[H:8],[N:1](=[c:2]1/[n:3]([H:7])[c:4]([H:9])[c:5]([H:10])[o:6]1)\[H:8],"InChI=1S/C3H4N2O/c4-3-5-1-2-6-3/h1-2H,(H2,4,5)","InChI=1S/C3H4N2O/c4-3-5-1-2-6-3/h1-2H,(H2,4,5)",53.11544,8.03531,
5912,[N:1]([c:2]1[n:3][c:4]([H:9])[c:5]([H:10])[o:6]1)([H:7])[H:8],[N:1]([c:2]1[n:3]([H:9])[c-:4][c:5]([H:10])[o+:6]1)([H:7])[H:8],"InChI=1S/C3H4N2O/c4-3-5-1-2-6-3/h1-2H,(H2,4,5)","InChI=1S/C3H4N2O/c4-3-5-1-2-6-3/h2,5H,4H2",82.92501,50.028940000000006,
5913,[N:1]([c:2]1[n:3][c:4]([H:9])[c:5]([H:10])[o:6]1)([H:7])[H:8],[N:1]([C:2]([N:3]=[C:4]=[C:5]([H:9])[H:10])=[O:6])([H:7])[H:8],"InChI=1S/C3H4N2O/c4-3-5-1-2-6-3/h1-2H,(H2,4,5)","InChI=1S/C3H4N2O/c1-2-5-3(4)6/h1H2,(H2,4,6)",62.99553,6.51357,
5914,[N:1]([c:2]1[n:3][c:4]([H:9])[c:5]([H:10])[o:6]1)([H:7])[H:8],[N:1]([C:2]1=[N:3][C@@:4]1([C:5](=[O:6])[H:10])[H:9])([H:7])[H:8],"InChI=1S/C3H4N2O/c4-3-5-1-2-6-3/h1-2H,(H2,4,5)","InChI=1S/C3H4N2O/c4-3-2(1-6)5-3/h1-2H,(H2,4,5)/t2-/m1/s1",60.21827,35.09687,ketoenol
5915,[N:1]([c:2]1[n:3][c:4]([H:9])[c:5]([H:10])[o:6]1)([H:7])[H:8],[N:1]([C:2]([N:3]1[C:4]([H:9])=[C:5]1[H:10])=[O:6])([H:7])[H:8],"InChI=1S/C3H4N2O/c4-3-5-1-2-6-3/h1-2H,(H2,4,5)","InChI=1S/C3H4N2O/c4-3(6)5-1-2-5/h1-2H,(H2,4,6)",71.08587,61.38992,ketoenol
5916,[N:1]([c:2]1[n:3][c:4]([H:9])[c:5]([H:10])[o:6]1)([H:7])[H:8],[N:1]([C@:5]1([H:10])[C:4]([H:9])=[N+:3]=[C-:2][O:6]1)([H:7])[H:8],"InChI=1S/C3H4N2O/c4-3-5-1-2-6-3/h1-2H,(H2,4,5)","InChI=1S/C3H4N2O/c4-3-1-5-2-6-3/h1,3H,4H2/t3-/m0/s1",113.37468999999999,63.884640000000005,
5917,[N:1]([c:2]1[n:3][c:4]([H:9])[c:5]([H:10])[o:6]1)([H:7])[H:8],[C:4](#[C:5][H:10])[H:9].[N:1]([N:3]=[C:2]=[O:6])([H:7])[H:8],"InChI=1S/C3H4N2O/c4-3-5-1-2-6-3/h1-2H,(H2,4,5)",InChI=1S/C2H2.CH2N2O/c1-2;2-3-1-4/h1-2H;2H2,98.29138,72.81165,
5918,[N:1]([c:2]1[n:3][c:4]([H:9])[c:5]([H:10])[o:6]1)([H:7])[H:8],[N:1](=[C:2]=[N:3][C:4](=[C:5]([O:6][H:7])[H:10])[H:9])[H:8],"InChI=1S/C3H4N2O/c4-3-5-1-2-6-3/h1-2H,(H2,4,5)","InChI=1S/C3H4N2O/c4-3-5-1-2-6/h1-2,4,6H",45.59985,15.24748,
5919,[N:1]([c:2]1[n:3][c:4]([H:9])[c:5]([H:10])[o:6]1)([H:7])[H:8],[N:1]([C:2]1=[N:3][C:4]([H:9])([H:10])[C-:5]=[O+:6]1)([H:7])[H:8],"InChI=1S/C3H4N2O/c4-3-5-1-2-6-3/h1-2H,(H2,4,5)","InChI=1S/C3H4N2O/c4-3-5-1-2-6-3/h1H2,(H2,4,5)",59.30536,51.90773,Singlet_Carbene_Intra_Disproportionation
5920,[N:1]([c:2]1[n:3][c:4]([H:9])[c:5]([H:10])[o:6]1)([H:7])[H:8],[N:1](=[C:2](/[N:3]=[C:4](\[C:5](=[O:6])[H:10])[H:9])[H:7])\[H:8],"InChI=1S/C3H4N2O/c4-3-5-1-2-6-3/h1-2H,(H2,4,5)","InChI=1S/C3H4N2O/c4-3-5-1-2-6/h1-4H/b4-3+,5-1-",75.82812,28.44145,
5921,[N:1]([c:2]1[n:3][c:4]([H:9])[c:5]([H:10])[o:6]1)([H:7])[H:8],[N:1](=[C:2]1\[N:3]=[C:4]([H:9])[C:5]([H:8])([H:10])[O:6]1)\[H:7],"InChI=1S/C3H4N2O/c4-3-5-1-2-6-3/h1-2H,(H2,4,5)","InChI=1S/C3H4N2O/c4-3-5-1-2-6-3/h1,4H,2H2/b4-3+",88.1441,10.39879,
5922,[N:1]([c:2]1[n:3][c:4]([H:9])[c:5]([H:10])[o:6]1)([H:7])[H:8],[C:4](=[C:5]=[O:6])([H:9])[H:10].[N:1]([C:2]#[N:3])([H:7])[H:8],"InChI=1S/C3H4N2O/c4-3-5-1-2-6-3/h1-2H,(H2,4,5)",InChI=1S/C2H2O.CH2N2/c1-2-3;2-1-3/h1H2;2H2,77.41079,26.82937,
5923,[N:1]([c:2]1[n:3][c:4]([H:9])[c:5]([H:10])[o:6]1)([H:7])[H:8],[N:1]([C:2]#[N+:3][C-:4]([C:5][O:6][H:10])[H:9])([H:7])[H:8],"InChI=1S/C3H4N2O/c4-3-5-1-2-6-3/h1-2H,(H2,4,5)","InChI=1S/C3H4N2O/c4-3-5-1-2-6/h1,6H,4H2",98.57821,85.85237,
5924,[C:1]([C@@:2]([C:3](=[O:4])[H:11])([C:5]#[N:6])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]=[O:4])[H:10])([H:7])([H:8])[H:9].[C:5](#[N:6])[H:11],"InChI=1S/C4H5NO/c1-4(2-5)3-6/h3-4H,1H3/t4-/m1/s1","InChI=1S/C3H4O.CHN/c1-2-3-4;1-2/h2H,1H3;1H",63.9145,21.908079999999998,
5925,[C:1]([C@@:2]([C:3](=[O:4])[H:11])([C:5]#[N:6])[H:10])([H:7])([H:8])[H:9],[C:1]([C@@:2]([O+:4]=[C-:3][H:11])([C:5]#[N:6])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-4(2-5)3-6/h3-4H,1H3/t4-/m1/s1","InChI=1S/C4H5NO/c1-4(3-5)6-2/h2,4H,1H3/t4-/m1/s1",111.43498000000001,69.55105999999999,
5926,[C:1]([C@@:2]([C:3](=[O:4])[H:11])([C:5]#[N:6])[H:10])([H:7])([H:8])[H:9],[C:1]([O:4]/[C:3](=[C:2](/[C:5]#[N:6])[H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-4(2-5)3-6/h3-4H,1H3/t4-/m1/s1","InChI=1S/C4H5NO/c1-6-4-2-3-5/h2,4H,1H3/b4-2+",69.73379,9.90068,ketoenol
5927,[C:1]([C@@:2]([C:3](=[O:4])[H:11])([C:5]#[N:6])[H:10])([H:7])([H:8])[H:9],[C:1]1([H:7])([H:9])[C@:2]([C:3](=[O:4])[H:11])([H:10])/[C:5]1=[N:6]/[H:8],"InChI=1S/C4H5NO/c1-4(2-5)3-6/h3-4H,1H3/t4-/m1/s1","InChI=1S/C4H5NO/c5-4-1-3(4)2-6/h2-3,5H,1H2/b5-4+/t3-/m0/s1",104.67948,27.890729999999998,
5928,[C:1]([C@@:2]([C:3](=[O:4])[H:11])([C:5]#[N:6])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3](=[O:4])[H:11])=[C:5]=[N:6][H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-4(2-5)3-6/h3-4H,1H3/t4-/m1/s1","InChI=1S/C4H5NO/c1-4(2-5)3-6/h3,5H,1H3",66.45404,6.759469999999999,
5929,[C:1]([C@@:2]([C:3](=[O:4])[H:11])([C:5]#[N:6])[H:10])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:11])=[C:5]1[N:6]=[O:4])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-4(2-5)3-6/h3-4H,1H3/t4-/m1/s1","InChI=1S/C4H5NO/c1-3-2-4(3)5-6/h2-3H,1H3/t3-/m0/s1",142.11847,97.56687,
5930,[C:1]([C@@:2]([C:3](=[O:4])[H:11])([C:5]#[N:6])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:5]=[N:6][C:3](=[O:4])[H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-4(2-5)3-6/h3-4H,1H3/t4-/m1/s1","InChI=1S/C4H5NO/c1-2-3-5-4-6/h2,4H,1H3",50.78815,15.140460000000001,
5931,[C:1]([C@@:2]([C:3](=[O:4])[H:11])([C:5]#[N:6])[H:10])([H:7])([H:8])[H:9],[C-:3]#[O+:4].[C:1](=[C:2]([C:5]#[N:6])[H:10])([H:7])[H:9].[H:8][H:11],"InChI=1S/C4H5NO/c1-4(2-5)3-6/h3-4H,1H3/t4-/m1/s1","InChI=1S/C3H3N.CO.H2/c1-2-3-4;1-2;/h2H,1H2;;1H",55.38163,26.72424,
5932,[C:1]([C@@:2]([C:3](=[O:4])[H:11])([C:5]#[N:6])[H:10])([H:7])([H:8])[H:9],[C:1](/[C:2](=[C:3](\[O:4][H:10])[H:11])[C:5]#[N:6])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-4(2-5)3-6/h3-4H,1H3/t4-/m1/s1","InChI=1S/C4H5NO/c1-4(2-5)3-6/h3,6H,1H3/b4-3+",58.52904,-2.6931700000000003,ketoenol
5933,[C:1]([C@@:2]([C:3](=[O:4])[H:11])([C:5]#[N:6])[H:10])([H:7])([H:8])[H:9],[C:1]([C@:2]1([H:10])[C@@:3]([C:5]#[N:6])([H:11])[O:4]1)([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-4(2-5)3-6/h3-4H,1H3/t4-/m1/s1","InChI=1S/C4H5NO/c1-3-4(2-5)6-3/h3-4H,1H3/t3-,4+/m1/s1",73.98931999999999,20.54503,
5934,[C:1]([C@@:2]([C:3](=[O:4])[H:11])([C:5]#[N:6])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3](=[O:4])[C:5]#[N:6])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-4(2-5)3-6/h3-4H,1H3/t4-/m1/s1","InChI=1S/C4H5NO/c1-2-4(6)3-5/h2H2,1H3",71.71377,-1.66714,
5935,[C:1]([C@@:2]([C:3](=[O:4])[H:11])([C:5]#[N:6])[H:10])([H:7])([H:8])[H:9],[C:1]([c:2]1[c:3]([H:11])[o:4][n:6][c:5]1[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-4(2-5)3-6/h3-4H,1H3/t4-/m1/s1","InChI=1S/C4H5NO/c1-4-2-5-6-3-4/h2-3H,1H3",67.99016,17.43696,
5936,[C:1]([C@@:2]([C:3](=[O:4])[H:11])([C:5]#[N:6])[H:10])([H:7])([H:8])[H:9],[C:1](/[C:2](=[C:3](/[O:4][C:5]#[N:6])[H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-4(2-5)3-6/h3-4H,1H3/t4-/m1/s1","InChI=1S/C4H5NO/c1-2-3-6-4-5/h2-3H,1H3/b3-2+",77.74631,21.58977,ketoenol
5937,[C:1]([C@@:2]([C:3](=[O:4])[H:11])([C:5]#[N:6])[H:10])([H:7])([H:8])[H:9],[C:1]([C@@:2]([C:3](=[O:4])[H:11])([N+:6]#[C-:5])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-4(2-5)3-6/h3-4H,1H3/t4-/m1/s1","InChI=1S/C4H5NO/c1-4(3-6)5-2/h3-4H,1H3/t4-/m0/s1",57.5794,25.29765,
5938,[C:1]([C@@:2]([C:3](=[O:4])[H:11])([C:5]#[N:6])[H:10])([H:7])([H:8])[H:9],[C:1]([c:5]1[c:2]([H:10])[c:3]([H:11])[o:4][n:6]1)([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-4(2-5)3-6/h3-4H,1H3/t4-/m1/s1","InChI=1S/C4H5NO/c1-4-2-3-6-5-4/h2-3H,1H3",75.17626,15.179020000000001,
5939,[C:1]([C@@:2]([C:3](=[O:4])[H:11])([C:5]#[N:6])[H:10])([H:7])([H:8])[H:9],[C-:3]#[O+:4].[C:1]([C:2](=[C:5]=[N:6][H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-4(2-5)3-6/h3-4H,1H3/t4-/m1/s1","InChI=1S/C3H5N.CO/c1-2-3-4;1-2/h2,4H,1H3;",41.612629999999996,15.607660000000001,
5940,[C:1]([C@@:2]([C:3](=[O:4])[H:11])([C:5]#[N:6])[H:10])([H:7])([H:8])[H:9],[C:1]1([H:7])([H:9])[C@:2]([C:3](=[O:4])[H:11])([H:10])[C:5][N:6]1[H:8],"InChI=1S/C4H5NO/c1-4(2-5)3-6/h3-4H,1H3/t4-/m1/s1","InChI=1S/C4H5NO/c6-3-4-1-5-2-4/h3-5H,1H2/t4-/m1/s1",116.70641,66.21398,
5941,[C:1]([C@@:2]([C:3](=[O:4])[H:11])([C:5]#[N:6])[H:10])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:5]([O+:4]=[C-:3][H:11])=[N:6]1)([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-4(2-5)3-6/h3-4H,1H3/t4-/m1/s1","InChI=1S/C4H5NO/c1-3-4(5-3)6-2/h2-3H,1H3/t3-/m0/s1",108.52376000000001,106.65862,
5942,[C:1]([C@@:2]([C:3](=[O:4])[H:11])([C:5]#[N:6])[H:10])([H:7])([H:8])[H:9],[C:1](/[C:2](=[C:3](\[O:4][N+:6]#[C-:5])[H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-4(2-5)3-6/h3-4H,1H3/t4-/m1/s1","InChI=1S/C4H5NO/c1-3-4-6-5-2/h3-4H,1H3/b4-3-",107.53766,85.5782,
5943,[O:1]([C@@:2]1([H:8])[C@@:3]2([H:9])[C:4]([H:10])([H:11])[O:5][C@@:6]12[H:12])[H:7],[C:3]1([H:9])=[C:6]([H:12])[O:5][C:4]1([H:10])[H:11].[O:1]([C:2][H:8])[H:7],"InChI=1S/C4H6O2/c5-3-2-1-6-4(2)3/h2-5H,1H2/t2-,3+,4-/m1/s1","InChI=1S/C3H4O.CH2O/c1-2-4-3-1;1-2/h1-2H,3H2;1-2H",51.89443,66.77886,
5944,[O:1]([C@@:2]1([H:8])[C@@:3]2([H:9])[C:4]([H:10])([H:11])[O:5][C@@:6]12[H:12])[H:7],[O:1]([C@@:2]([C:3](=[C:4]([H:10])[H:11])[H:9])([C:6](=[O:5])[H:12])[H:8])[H:7],"InChI=1S/C4H6O2/c5-3-2-1-6-4(2)3/h2-5H,1H2/t2-,3+,4-/m1/s1","InChI=1S/C4H6O2/c1-2-4(6)3-5/h2-4,6H,1H2/t4-/m0/s1",18.20944,-35.59864,
5945,[O:1]([C@@:2]1([H:8])[C@@:3]2([H:9])[C:4]([H:10])([H:11])[O:5][C@@:6]12[H:12])[H:7],[O:1]([C:2][C@@:6]1([H:12])[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[O:5]1)[H:7],"InChI=1S/C4H6O2/c5-3-2-1-6-4(2)3/h2-5H,1H2/t2-,3+,4-/m1/s1","InChI=1S/C4H6O2/c5-3-4-1-2-6-4/h4-5H,1-2H2/t4-/m1/s1",46.11979,24.95076,
5946,[O:1]([C@@:2]1([H:8])[C@@:3]2([H:9])[C:4]([H:10])([H:11])[O:5][C@@:6]12[H:12])[H:7],[O:1]=[C:2](/[C:6](=[C:3](\[C:4]([O:5][H:7])([H:10])[H:11])[H:9])[H:12])[H:8],"InChI=1S/C4H6O2/c5-3-2-1-6-4(2)3/h2-5H,1H2/t2-,3+,4-/m1/s1","InChI=1S/C4H6O2/c5-3-1-2-4-6/h1-3,6H,4H2/b2-1-",37.564609999999995,-38.8591,
5947,[O:1]([C@@:2]1([H:8])[C@@:3]2([H:9])[C:4]([H:10])([H:11])[O:5][C@@:6]12[H:12])[H:7],[O:1]([C:2][C:3]1([H:9])[C:4]([H:10])([H:11])[O:5][C:6]1([H:8])[H:12])[H:7],"InChI=1S/C4H6O2/c5-3-2-1-6-4(2)3/h2-5H,1H2/t2-,3+,4-/m1/s1","InChI=1S/C4H6O2/c5-1-4-2-6-3-4/h4-5H,2-3H2",52.23617,36.195159999999994,
5948,[O:1]([C@@:2]1([H:8])[C@@:3]2([H:9])[C:4]([H:10])([H:11])[O:5][C@@:6]12[H:12])[H:7],[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:12])[C:4]([H:10])([H:11])[O+:5]=[C-:6]1)[H:7],"InChI=1S/C4H6O2/c5-3-2-1-6-4(2)3/h2-5H,1H2/t2-,3+,4-/m1/s1","InChI=1S/C4H6O2/c5-4-1-2-6-3-4/h4-5H,1-2H2/t4-/m0/s1",54.56864,8.0568,
5949,[O:1]([C@@:2]1([H:8])[C@@:3]2([H:9])[C:4]([H:10])([H:11])[O:5][C@@:6]12[H:12])[H:7],[O:1]([C@@:2]1([H:8])[C:3](=[C:4]([H:10])[H:11])[C@:6]1([O:5][H:9])[H:12])[H:7],"InChI=1S/C4H6O2/c5-3-2-1-6-4(2)3/h2-5H,1H2/t2-,3+,4-/m1/s1","InChI=1S/C4H6O2/c1-2-3(5)4(2)6/h3-6H,1H2/t3-,4+",117.12098999999999,-7.24843,
5950,[O:1]([C@@:2]1([H:8])[C@@:3]2([H:9])[C:4]([H:10])([H:11])[O:5][C@@:6]12[H:12])[H:7],[O:1]([C@@:2]1([H:8])[C:3][C:4]([H:10])([H:11])[O:5][C:6]1([H:9])[H:12])[H:7],"InChI=1S/C4H6O2/c5-3-2-1-6-4(2)3/h2-5H,1H2/t2-,3+,4-/m1/s1","InChI=1S/C4H6O2/c5-4-1-2-6-3-4/h4-5H,2-3H2/t4-/m0/s1",62.46624,40.96333,
5951,[O:1]([C@@:2]1([H:8])[C@@:3]2([H:9])[C:4]([H:10])([H:11])[O:5][C@@:6]12[H:12])[H:7],[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:11])[C@:6]1([O+:5]=[C-:4][H:10])[H:12])[H:7],"InChI=1S/C4H6O2/c5-3-2-1-6-4(2)3/h2-5H,1H2/t2-,3+,4-/m1/s1","InChI=1S/C4H6O2/c1-6-4-2-3(4)5/h1,3-5H,2H2/t3-,4+/m0/s1",77.48145,44.64924,
5952,[O:1]([C@@:2]1([H:8])[C@@:3]2([H:9])[C:4]([H:10])([H:11])[O:5][C@@:6]12[H:12])[H:7],[O:1]([C:2]([C:3]1([H:9])[C-:4]([H:10])[O+:5]=[C:6]1[H:12])([H:8])[H:11])[H:7],"InChI=1S/C4H6O2/c5-3-2-1-6-4(2)3/h2-5H,1H2/t2-,3+,4-/m1/s1","InChI=1S/C4H6O2/c5-1-4-2-6-3-4/h2-5H,1H2",78.67191,37.723279999999995,
5953,[O:1]([C@@:2]1([H:8])[C@@:3]2([H:9])[C:4]([H:10])([H:11])[O:5][C@@:6]12[H:12])[H:7],[H:10][H:11].[O:1]([C@@:2]1([H:8])[C@@:3]2([H:9])[C-:4]=[O+:5][C@@:6]12[H:12])[H:7],"InChI=1S/C4H6O2/c5-3-2-1-6-4(2)3/h2-5H,1H2/t2-,3+,4-/m1/s1","InChI=1S/C4H4O2.H2/c5-3-2-1-6-4(2)3;/h2-5H;1H/t2-,3+,4-;/m1./s1",71.38859000000001,72.46831999999999,
5954,[O:1]([C@@:2]1([H:8])[C@@:3]2([H:9])[C:4]([H:10])([H:11])[O:5][C@@:6]12[H:12])[H:7],[C:4](=[O:5])([H:10])[H:11].[O:1]([C:2]1=[C:3]([H:9])[C:6]1([H:8])[H:12])[H:7],"InChI=1S/C4H6O2/c5-3-2-1-6-4(2)3/h2-5H,1H2/t2-,3+,4-/m1/s1","InChI=1S/C3H4O.CH2O/c4-3-1-2-3;1-2/h1,4H,2H2;1H2",76.91413,20.27117,
5955,[O:1]([C@@:2]1([H:8])[C@@:3]2([H:9])[C:4]([H:10])([H:11])[O:5][C@@:6]12[H:12])[H:7],[H:7][H:11].[O:1]=[C:2]([C@@:6]1([H:12])[C:3]([H:9])=[C:4]([H:10])[O:5]1)[H:8],"InChI=1S/C4H6O2/c5-3-2-1-6-4(2)3/h2-5H,1H2/t2-,3+,4-/m1/s1",InChI=1S/C4H4O2.H2/c5-3-4-1-2-6-4;/h1-4H;1H/t4-;/m1./s1,45.85196,13.906089999999999,
5956,[O:1]([C@@:2]1([H:8])[C@@:3]2([H:9])[C:4]([H:10])([H:11])[O:5][C@@:6]12[H:12])[H:7],[O:1](/[C:2](=[C:6](\[C@@:3]1([H:9])[C:4]([H:10])([H:11])[O:5]1)[H:12])[H:8])[H:7],"InChI=1S/C4H6O2/c5-3-2-1-6-4(2)3/h2-5H,1H2/t2-,3+,4-/m1/s1","InChI=1S/C4H6O2/c5-2-1-4-3-6-4/h1-2,4-5H,3H2/b2-1-/t4-/m0/s1",66.20069000000001,-23.36187,
5957,[O:1]([C@@:2]1([H:8])[C@@:3]2([H:9])[C:4]([H:10])([H:11])[O:5][C@@:6]12[H:12])[H:7],[O:1]=[C:2]([C@@:6]1([H:12])[C:3]([H:7])([H:9])[C:4]([H:10])([H:11])[O:5]1)[H:8],"InChI=1S/C4H6O2/c5-3-2-1-6-4(2)3/h2-5H,1H2/t2-,3+,4-/m1/s1","InChI=1S/C4H6O2/c5-3-4-1-2-6-4/h3-4H,1-2H2/t4-/m1/s1",58.63581,-19.3258,
5958,[O:1]([C@@:2]1([H:8])[C@@:3]2([H:9])[C:4]([H:10])([H:11])[O:5][C@@:6]12[H:12])[H:7],[H:9][H:11].[O:1]([C@@:2]1([H:8])[C:3]2=[C:4]([H:10])[O:5][C@@:6]12[H:12])[H:7],"InChI=1S/C4H6O2/c5-3-2-1-6-4(2)3/h2-5H,1H2/t2-,3+,4-/m1/s1","InChI=1S/C4H4O2.H2/c5-3-2-1-6-4(2)3;/h1,3-5H;1H/t3-,4+;/m0./s1",84.19939000000001,66.7029,
5959,[O:1]([C@@:2]1([H:8])[C@@:3]2([H:9])[C:4]([H:10])([H:11])[O:5][C@@:6]12[H:12])[H:7],[O:1](/[C:2](=[C:3](\[C:4]([O+:5]=[C-:6][H:12])([H:10])[H:11])[H:9])[H:8])[H:7],"InChI=1S/C4H6O2/c5-3-2-1-6-4(2)3/h2-5H,1H2/t2-,3+,4-/m1/s1","InChI=1S/C4H6O2/c1-6-4-2-3-5/h1-3,5H,4H2/b3-2-",47.37494,28.326079999999997,
5960,[O:1]([C@@:2]1([H:8])[C@@:3]2([H:9])[C:4]([H:10])([H:11])[O:5][C@@:6]12[H:12])[H:7],[C:4](=[O:5])([H:10])[H:11].[O:1]([C:2]1([H:8])[C:3]([H:9])=[C:6]1[H:12])[H:7],"InChI=1S/C4H6O2/c5-3-2-1-6-4(2)3/h2-5H,1H2/t2-,3+,4-/m1/s1",InChI=1S/C3H4O.CH2O/c4-3-1-2-3;1-2/h1-4H;1H2,62.84058,21.14414,2+2_cycloaddition
5961,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[N:4]=[C:5]([H:13])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:11])=[N:4][C:5]([H:12])([H:13])[O:6]1)([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4-2-5-3-6-4/h3-4H,2H2,1H3/t4-/m0/s1","InChI=1S/C4H7NO/c1-4-2-5-3-6-4/h2,4H,3H2,1H3/t4-/m0/s1",103.73855,8.723989999999999,
5962,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[N:4]=[C:5]([H:13])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C:2](=[O:6])[H:10])([H:7])([H:8])[H:9].[C:3](=[N+:4]=[C-:5][H:13])([H:11])[H:12],"InChI=1S/C4H7NO/c1-4-2-5-3-6-4/h3-4H,2H2,1H3/t4-/m0/s1","InChI=1S/C2H3N.C2H4O/c1-3-2;1-2-3/h1H,2H2;2H,1H3",58.40385,56.92556999999999,
5963,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[N:4]=[C:5]([H:13])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])=[O:6])([H:7])([H:8])[H:9].[N:4]#[C:5][H:13],"InChI=1S/C4H7NO/c1-4-2-5-3-6-4/h3-4H,2H2,1H3/t4-/m0/s1",InChI=1S/C3H6O.CHN/c1-3(2)4;1-2/h1-2H3;1H,70.91457,10.06989,
5964,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[N:4]=[C:5]([H:13])[O:6]1)([H:7])([H:8])[H:9],[C:1](=[C:2]([O:6][C:5]([N:4]=[C:3]([H:11])[H:12])([H:8])[H:13])[H:10])([H:7])[H:9],"InChI=1S/C4H7NO/c1-4-2-5-3-6-4/h3-4H,2H2,1H3/t4-/m0/s1","InChI=1S/C4H7NO/c1-3-6-4-5-2/h3H,1-2,4H2",90.14986,27.821140000000003,
5965,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[N:4]=[C:5]([H:13])[O:6]1)([H:7])([H:8])[H:9],[C:1](/[C:5](=[N:4]\[C:3]([C:2](=[O:6])[H:10])([H:11])[H:12])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4-2-5-3-6-4/h3-4H,2H2,1H3/t4-/m0/s1","InChI=1S/C4H7NO/c1-2-5-3-4-6/h2,4H,3H2,1H3/b5-2-",93.6903,12.302489999999999,
5966,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[N:4]=[C:5]([H:13])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C@@:2]([C:3](=[N+:4]=[C-:5][H:13])[H:11])([O:6][H:12])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4-2-5-3-6-4/h3-4H,2H2,1H3/t4-/m0/s1","InChI=1S/C4H7NO/c1-4(6)3-5-2/h2-4,6H,1H3/t4-/m0/s1",82.47424000000001,44.87847,
5967,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[N:4]=[C:5]([H:13])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]1=[O+:6][C-:5]([H:13])[N:4]([H:10])[C:3]1([H:11])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4-2-5-3-6-4/h3-4H,2H2,1H3/t4-/m0/s1","InChI=1S/C4H7NO/c1-4-2-5-3-6-4/h3,5H,2H2,1H3",75.44305,61.2967,
5968,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[N:4]=[C:5]([H:13])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[N:4]([H:13])[C-:5]=[O+:6]1)([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4-2-5-3-6-4/h3-4H,2H2,1H3/t4-/m0/s1","InChI=1S/C4H7NO/c1-4-2-5-3-6-4/h4-5H,2H2,1H3/t4-/m0/s1",66.41101,28.64469,
5969,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[N:4]=[C:5]([H:13])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C-:3]([H:12])[N:4]([H:11])[C:5]([H:13])=[O+:6]1)([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4-2-5-3-6-4/h3-4H,2H2,1H3/t4-/m0/s1","InChI=1S/C4H7NO/c1-4-2-5-3-6-4/h2-5H,1H3/t4-/m0/s1",75.41372,50.00947,
5970,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[N:4]=[C:5]([H:13])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C-:2]=[O+:6]/[C:5](=[N:4]\[C:3]([H:10])([H:11])[H:12])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4-2-5-3-6-4/h3-4H,2H2,1H3/t4-/m0/s1","InChI=1S/C4H7NO/c1-3-6-4-5-2/h4H,1-2H3/b5-4-",72.51482,72.62425,
5971,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[N:4]=[C:5]([H:13])[O:6]1)([H:7])([H:8])[H:9],[C:1]([N:4]1[C:3]([H:11])([H:12])[C-:2]([H:10])[O+:6]=[C:5]1[H:13])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4-2-5-3-6-4/h3-4H,2H2,1H3/t4-/m0/s1","InChI=1S/C4H7NO/c1-5-2-3-6-4-5/h3-4H,2H2,1H3",90.05185,66.16364,
5972,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[N:4]=[C:5]([H:13])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C@@:2]([C:3]([N+:4]#[C-:5])([H:11])[H:12])([O:6][H:13])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4-2-5-3-6-4/h3-4H,2H2,1H3/t4-/m0/s1","InChI=1S/C4H7NO/c1-4(6)3-5-2/h4,6H,3H2,1H3/t4-/m0/s1",61.83795,22.04315,
5973,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[N:4]=[C:5]([H:13])[O:6]1)([H:7])([H:8])[H:9],[C-:2]1=[O+:6][C:5]([H:13])=[N:4][C:3]1([H:11])[H:12].[C:1]([H:7])([H:8])([H:9])[H:10],"InChI=1S/C4H7NO/c1-4-2-5-3-6-4/h3-4H,2H2,1H3/t4-/m0/s1","InChI=1S/C3H3NO.CH4/c1-2-5-3-4-1;/h3H,1H2;1H4",74.68005,61.00135,
5974,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[N:4]=[C:5]([H:13])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C:3]([C:2](=[O:6])[H:10])([H:11])[H:12])([H:7])([H:8])[H:9].[N:4]#[C:5][H:13],"InChI=1S/C4H7NO/c1-4-2-5-3-6-4/h3-4H,2H2,1H3/t4-/m0/s1","InChI=1S/C3H6O.CHN/c1-2-3-4;1-2/h3H,2H2,1H3;1H",79.09998,16.57245,
5975,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[N:4]=[C:5]([H:13])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[N:4]1[C:5](=[O:6])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4-2-5-3-6-4/h3-4H,2H2,1H3/t4-/m0/s1","InChI=1S/C4H7NO/c1-4-2-5(4)3-6/h3-4H,2H2,1H3/t4-,5?/m0/s1",43.0269,15.31047,ketoenol
5976,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[N:4]=[C:5]([H:13])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C:3](/[N:4]=[C:5](\[O+:6]=[C-:2][H:10])[H:13])([H:11])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4-2-5-3-6-4/h3-4H,2H2,1H3/t4-/m0/s1","InChI=1S/C4H7NO/c1-3-5-4-6-2/h2,4H,3H2,1H3/b5-4-",117.95467,82.02472,
5977,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[N:4]=[C:5]([H:13])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C:2](=[O:6])[H:10])([H:7])([H:8])[H:9].[C:3](=[N+:4]=[C-:5][H:13])([H:11])[H:12],"InChI=1S/C4H7NO/c1-4-2-5-3-6-4/h3-4H,2H2,1H3/t4-/m0/s1","InChI=1S/C2H3N.C2H4O/c1-3-2;1-2-3/h1H,2H2;2H,1H3",58.40221,56.93225,
5978,[C:1]([O:2][C:3]([C:4]([C:5]#[C:6][H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:2][C:3]([C:4]([C:6](=[C:5])[H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-3-4-5-6-2/h1H,4-5H2,2H3","InChI=1S/C5H8O/c1-3-4-5-6-2/h3H,4-5H2,2H3",58.28524,52.48086,Singlet_Carbene_Intra_Disproportionation
5979,[C:1]([O:2][C:3]([C:4]([C:5]#[C:6][H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:2][H:10])([H:7])([H:8])[H:9].[C@@:3]12([H:11])[C:4]([H:12])([H:13])[C:5]1=[C:6]2[H:14],"InChI=1S/C5H8O/c1-3-4-5-6-2/h1H,4-5H2,2H3","InChI=1S/C4H4.CH4O/c1-3-2-4(1)3;1-2/h1,3H,2H2;2H,1H3/t3-;/m1./s1",90.92786,52.986619999999995,
5980,[C:1]([O:2][C:3]([C:4]([C:5]#[C:6][H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:2][C:3]([C:6](=[C:5]=[C:4]([H:12])[H:13])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-3-4-5-6-2/h1H,4-5H2,2H3","InChI=1S/C5H8O/c1-3-4-5-6-2/h4H,1,5H2,2H3",56.76919,-4.4882800000000005,
5981,[C:1]([O:2][C:3]([C:4]([C:5]#[C:6][H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:2][C@:3]1([H:10])[C:4]([H:12])([H:13])[C:5]1=[C:6]([H:11])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-3-4-5-6-2/h1H,4-5H2,2H3","InChI=1S/C5H8O/c1-4-3-5(4)6-2/h5H,1,3H2,2H3/t5-/m1/s1",61.73381,1.1639700000000002,
5982,[O:1]=[C:2]([C:3]([N:4]1[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])([H:8])[H:9])[H:7],[O-:1][C:2](=[C:3]([N+:4]1([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])[H:8])[H:7],"InChI=1S/C4H7NO/c6-4-3-5-1-2-5/h4H,1-3H2","InChI=1S/C4H7NO/c6-4-3-5-1-2-5/h3-4,6H,1-2H2",63.80275,32.83618,
5983,[O:1]=[C:2]([C:3]([N:4]1[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])([H:8])[H:9])[H:7],[H:9][H:11].[O-:1][C:2](=[C:3]([N+:4]1=[C:5]([H:10])[C:6]1([H:12])[H:13])[H:8])[H:7],"InChI=1S/C4H7NO/c6-4-3-5-1-2-5/h4H,1-3H2","InChI=1S/C4H5NO.H2/c6-4-3-5-1-2-5;/h1,3-4H,2H2;1H",59.90721,46.245870000000004,
5984,[O:1]=[C:2]([C:3]([N:4]1[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])([H:8])[H:9])[H:7],[O:1]([C@:2]1([H:7])[C:3]([H:8])([H:9])[N:4]2[C@:5]1([H:11])[C:6]2([H:12])[H:13])[H:10],"InChI=1S/C4H7NO/c6-4-3-5-1-2-5/h4H,1-3H2","InChI=1S/C4H7NO/c6-4-2-5-1-3(4)5/h3-4,6H,1-2H2/t3-,4-,5?/m1/s1",81.89678,11.685080000000001,
5985,[O:1]=[C:2]([C:3]([N:4]1[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])([H:8])[H:9])[H:7],[C-:3]([N+:4]1=[C:5]([H:10])[C:6]1([H:12])[H:13])([H:8])[H:9].[O:1]=[C:2]([H:7])[H:11],"InChI=1S/C4H7NO/c6-4-3-5-1-2-5/h4H,1-3H2","InChI=1S/C3H5N.CH2O/c1-4-2-3-4;1-2/h2H,1,3H2;1H2",66.13663000000001,61.66189,
5986,[O:1]=[C:2]([C:3]([N:4]1[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])([H:8])[H:9])[H:7],[O:1]=[C:2]([N+:4]1([C:3]([H:8])([H:9])[H:13])[C:5]([H:10])([H:11])[C-:6]1[H:12])[H:7],"InChI=1S/C4H7NO/c6-4-3-5-1-2-5/h4H,1-3H2","InChI=1S/C4H7NO/c1-5(4-6)2-3-5/h2,4H,3H2,1H3",111.71548999999999,42.48196,
5987,[O:1]=[C:2]([C:3]([N:4]1[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])([H:8])[H:9])[H:7],[O:1]([C:2](=[C:3]([H:8])[H:9])[H:7])[C:5]([N:4]=[C:6]([H:12])[H:13])([H:10])[H:11],"InChI=1S/C4H7NO/c6-4-3-5-1-2-5/h4H,1-3H2","InChI=1S/C4H7NO/c1-3-6-4-5-2/h3H,1-2,4H2",59.394969999999994,-2.59533,
5988,[O:1]=[C:2]([C:3]([N:4]1[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])([H:8])[H:9])[H:7],[O:1]1[C@@:2]([C:3]([N:4]=[C:6]([H:12])[H:13])([H:8])[H:9])([H:7])[C:5]1([H:10])[H:11],"InChI=1S/C4H7NO/c6-4-3-5-1-2-5/h4H,1-3H2","InChI=1S/C4H7NO/c1-5-2-4-3-6-4/h4H,1-3H2/t4-/m1/s1",56.90947,4.92053,
5989,[O:1]=[C:2]([C:3]([N:4]1[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])([H:8])[H:9])[H:7],[C:3](=[N:4][C:6]([C:5]([H:7])([H:10])[H:11])([H:12])[H:13])([H:8])[H:9].[O+:1]#[C-:2],"InChI=1S/C4H7NO/c6-4-3-5-1-2-5/h4H,1-3H2","InChI=1S/C3H7N.CO/c1-3-4-2;1-2/h2-3H2,1H3;",41.188179999999996,-20.99985,
5990,[O:1]=[C:2]([C:3]([N:4]1[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])([H:8])[H:9])[H:7],[O:1]=[C:2]([C:3]([N+:4]1([H:12])[C:5]([H:10])([H:11])[C-:6]1[H:13])([H:8])[H:9])[H:7],"InChI=1S/C4H7NO/c6-4-3-5-1-2-5/h4H,1-3H2","InChI=1S/C4H7NO/c6-4-3-5-1-2-5/h1,4-5H,2-3H2",64.49061,54.411069999999995,
5991,[O:1]=[C:2]([C:3]([N:4]1[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])([H:8])[H:9])[H:7],[O:1]1[C@:2]2([H:7])[C:3]([H:8])([H:9])[N:4]2[C:6]([H:12])([H:13])[C:5]1([H:10])[H:11],"InChI=1S/C4H7NO/c6-4-3-5-1-2-5/h4H,1-3H2","InChI=1S/C4H7NO/c1-2-6-4-3-5(1)4/h4H,1-3H2/t4-,5?/m1/s1",53.2907,0.22625,
5992,[O:1]=[C:2]([C:3]([N:4]1[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])([H:8])[H:9])[H:7],[N:4]1=[C:6]([H:12])[C:5]1([H:10])[H:11].[O:1]([C:2](=[C:3]([H:8])[H:9])[H:7])[H:13],"InChI=1S/C4H7NO/c6-4-3-5-1-2-5/h4H,1-3H2","InChI=1S/C2H3N.C2H4O/c1-2-3-1;1-2-3/h1H,2H2;2-3H,1H2",47.68235,25.66333,Retroene
5993,[O:1]=[C:2]([C:3]([N:4]1[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])([H:8])[H:9])[H:7],[O:1](/[C:2](=[C:3](/[N:4]1[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])[H:8])[H:7])[H:9],"InChI=1S/C4H7NO/c6-4-3-5-1-2-5/h4H,1-3H2","InChI=1S/C4H7NO/c6-4-3-5-1-2-5/h3-4,6H,1-2H2/b4-3+",61.52949,3.93036,ketoenol
5994,[O:1]=[C:2]([C:3]([N:4]1[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])([H:8])[H:9])[H:7],[O:1]=[C:2]([C:3]([N+:4]([C-:5]([H:10])[H:11])=[C:6]([H:12])[H:13])([H:8])[H:9])[H:7],"InChI=1S/C4H7NO/c6-4-3-5-1-2-5/h4H,1-3H2","InChI=1S/C4H7NO/c1-5(2)3-4-6/h4H,1-3H2",38.03644,16.592389999999998,
5995,[O:1]=[C:2]([C:3]([N:4]1[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])([H:8])[H:9])[H:7],[O:1]([C:2][C:3]([N:4]1[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])([H:8])[H:9])[H:7],"InChI=1S/C4H7NO/c6-4-3-5-1-2-5/h4H,1-3H2","InChI=1S/C4H7NO/c6-4-3-5-1-2-5/h6H,1-3H2",82.43226,56.29934,
5996,[O:1]=[C:2]([C:3]([N:4]1[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])([H:8])[H:9])[H:7],[C:5](=[C:6]([H:12])[H:13])([H:10])[H:11].[O+:1]1=[C:2]([H:7])[C:3]([H:8])([H:9])[N-:4]1,"InChI=1S/C4H7NO/c6-4-3-5-1-2-5/h4H,1-3H2","InChI=1S/C2H3NO.C2H4/c1-2-4-3-1;1-2/h2H,1H2;1-2H2",91.16335,85.99387,
5997,[C:1]([C:2]#[C:3][C:4]([H:8])([H:9])[H:10])([H:5])([H:6])[H:7],[C:1]([C:3](=[C:2])[C:4]([H:8])([H:9])[H:10])([H:5])([H:6])[H:7],InChI=1S/C4H6/c1-3-4-2/h1-2H3,InChI=1S/C4H6/c1-4(2)3/h1-2H3,59.17094,55.76014,
5998,[O:1]=[C:2]1[C:3]([H:6])([H:7])[C:4]([H:8])([H:9])[O:5]1,[O:1]=[C:2]=[C:3]([C:4]([O:5][H:6])([H:8])[H:9])[H:7],InChI=1S/C3H4O2/c4-3-1-2-5-3/h1-2H2,"InChI=1S/C3H4O2/c4-2-1-3-5/h1,4H,2H2",74.14475,13.613970000000002,
5999,[O:1]=[C:2]1[C:3]([H:6])([H:7])[C:4]([H:8])([H:9])[O:5]1,[C:3](=[C:4]([H:8])[H:9])([H:6])[H:7].[O:1]=[C:2]=[O:5],InChI=1S/C3H4O2/c4-3-1-2-5-3/h1-2H2,InChI=1S/C2H4.CO2/c1-2;2-1-3/h1-2H2;,31.2069,-14.451889999999999,2+2_cycloaddition
6000,[O:1]=[C:2]1[C:3]([H:6])([H:7])[C:4]([H:8])([H:9])[O:5]1,[O-:1][C:2](=[C+:3][H:6])[O:5][C:4]([H:7])([H:8])[H:9],InChI=1S/C3H4O2/c4-3-1-2-5-3/h1-2H2,"InChI=1S/C3H4O2/c1-3(4)5-2/h1H,2H3",77.80193,77.82353,
6001,[O:1]=[C:2]1[C:3]([H:6])([H:7])[C:4]([H:8])([H:9])[O:5]1,[O:1]([C:2]1=[O+:5][C-:4]([H:9])[C:3]1([H:6])[H:7])[H:8],InChI=1S/C3H4O2/c4-3-1-2-5-3/h1-2H2,"InChI=1S/C3H4O2/c4-3-1-2-5-3/h2,4H,1H2",109.4829,76.01473,
6002,[O:1]=[C:2]1[C:3]([H:6])([H:7])[C:4]([H:8])([H:9])[O:5]1,[O:1]([C:2]1=[C:3]([H:7])[C:4]([H:8])([H:9])[O:5]1)[H:6],InChI=1S/C3H4O2/c4-3-1-2-5-3/h1-2H2,"InChI=1S/C3H4O2/c4-3-1-2-5-3/h1,4H,2H2",85.75378,31.96221,ketoenol
6003,[O:1]=[C:2]1[C:3]([H:6])([H:7])[C:4]([H:8])([H:9])[O:5]1,[C:3]([C:4](=[O:5])[H:9])([H:6])([H:7])[H:8].[O+:1]#[C-:2],InChI=1S/C3H4O2/c4-3-1-2-5-3/h1-2H2,"InChI=1S/C2H4O.CO/c1-2-3;1-2/h2H,1H3;",72.96481,3.10109,
6004,[O:1]=[C:2]1[C:3]([H:6])([H:7])[C:4]([H:8])([H:9])[O:5]1,[C:4](=[O:5])([H:8])[H:9].[O:1]=[C:2]=[C:3]([H:6])[H:7],InChI=1S/C3H4O2/c4-3-1-2-5-3/h1-2H2,InChI=1S/C2H2O.CH2O/c1-2-3;1-2/h1H2;1H2,46.03076,28.588540000000002,2+2_cycloaddition
6005,[O:1]=[C:2]1[C:3]([H:6])([H:7])[C:4]([H:8])([H:9])[O:5]1,[C:3]1([H:6])([H:7])[C:4]([H:8])([H:9])[O:5]1.[O+:1]#[C-:2],InChI=1S/C3H4O2/c4-3-1-2-5-3/h1-2H2,InChI=1S/C2H4O.CO/c1-2-3-1;1-2/h1-2H2;,82.87886999999999,30.608240000000002,
6006,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[N:4]1[C:5](=[O:6])[H:13])([H:7])([H:8])[H:9],[C:1]([O:6][C:5](=[N+:4]1[C-:2]([H:10])[C:3]1([H:11])[H:12])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4-2-5(4)3-6/h3-4H,2H2,1H3/t4-,5?/m0/s1","InChI=1S/C4H7NO/c1-6-4-5-2-3-5/h2,4H,3H2,1H3",96.49884,70.68593,
6007,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[N:4]1[C:5](=[O:6])[H:13])([H:7])([H:8])[H:9],[C-:5]#[O+:6].[C:1]([C@@:2]1([H:10])[C:3]([H:12])=[N:4]1)([H:7])([H:8])[H:9].[H:11][H:13],"InChI=1S/C4H7NO/c1-4-2-5(4)3-6/h3-4H,2H2,1H3/t4-,5?/m0/s1","InChI=1S/C3H5N.CO.H2/c1-3-2-4-3;1-2;/h2-3H,1H3;;1H/t3-;;/m0../s1",68.39546,43.145340000000004,
6008,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[N:4]1[C:5](=[O:6])[H:13])([H:7])([H:8])[H:9],[C:1](=[C:2]([C:3]([N:4]1[C:5]([H:7])([H:13])[O:6]1)([H:11])[H:12])[H:10])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4-2-5(4)3-6/h3-4H,2H2,1H3/t4-,5?/m0/s1","InChI=1S/C4H7NO/c1-2-3-5-4-6-5/h2H,1,3-4H2",89.85691,55.24886,
6009,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[N:4]1[C:5](=[O:6])[H:13])([H:7])([H:8])[H:9],[C-:5]#[O+:6].[C:1]([C:2]1=[N:4][C:3]1([H:11])[H:12])([H:7])([H:8])[H:9].[H:10][H:13],"InChI=1S/C4H7NO/c1-4-2-5(4)3-6/h3-4H,2H2,1H3/t4-,5?/m0/s1","InChI=1S/C3H5N.CO.H2/c1-3-2-4-3;1-2;/h2H2,1H3;;1H",66.25435,37.43339,
6010,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[N:4]1[C:5](=[O:6])[H:13])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C-:3]([H:11])[N+:4]1=[C:5]([O:6][H:12])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4-2-5(4)3-6/h3-4H,2H2,1H3/t4-,5?/m0/s1","InChI=1S/C4H7NO/c1-4-2-5(4)3-6/h2-4,6H,1H3/t4-/m0/s1",61.770590000000006,54.548869999999994,
6011,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[N:4]1[C:5](=[O:6])[H:13])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C-:3]([H:11])[N+:4]1([C:5](=[O:6])[H:13])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4-2-5(4)3-6/h3-4H,2H2,1H3/t4-,5?/m0/s1","InChI=1S/C4H7NO/c1-4-2-5(4)3-6/h2-5H,1H3/t4-/m0/s1",66.18301,58.443130000000004,
6012,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[N:4]1[C:5](=[O:6])[H:13])([H:7])([H:8])[H:9],[C:1]([N+:4]1([C:5](=[O:6])[H:13])[C-:2]([H:10])[C:3]1([H:11])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4-2-5(4)3-6/h3-4H,2H2,1H3/t4-,5?/m0/s1","InChI=1S/C4H7NO/c1-5(4-6)2-3-5/h2,4H,3H2,1H3",100.06376,65.95312,
6013,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[N:4]1[C:5](=[O:6])[H:13])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[O:6][C:5]([H:13])=[N:4]1)([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4-2-5(4)3-6/h3-4H,2H2,1H3/t4-,5?/m0/s1","InChI=1S/C4H7NO/c1-4-2-6-3-5-4/h3-4H,2H2,1H3/t4-/m0/s1",34.86663,-14.0683,ketoenol
6014,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[N:4]1[C:5](=[O:6])[H:13])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]([H:11])[H:12])/[N:4]=[C:5](\[O:6][H:10])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4-2-5(4)3-6/h3-4H,2H2,1H3/t4-,5?/m0/s1","InChI=1S/C4H7NO/c1-4(2)5-3-6/h3H,1H2,2H3,(H,5,6)",44.15002,-14.8101,
6015,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[N:4]1[C:5](=[O:6])[H:13])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([N:4]=[C:5]=[O:6])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4-2-5(4)3-6/h3-4H,2H2,1H3/t4-,5?/m0/s1","InChI=1S/C4H7NO/c1-4(2)5-3-6/h4H,1-2H3",49.67563,-33.55124,
6016,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[N:4]1[C:5](=[O:6])[H:13])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[N:4]=[C:5]([H:13])[O:6]1)([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4-2-5(4)3-6/h3-4H,2H2,1H3/t4-,5?/m0/s1","InChI=1S/C4H7NO/c1-4-2-5-3-6-4/h3-4H,2H2,1H3/t4-/m0/s1",30.76803,-15.419970000000001,ketoenol
6017,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[N:4]1[C:5](=[O:6])[H:13])([H:7])([H:8])[H:9],[C:1](=[C:2]([C:3](/[N:4]=[C:5](\[O:6][H:7])[H:13])([H:11])[H:12])[H:10])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4-2-5(4)3-6/h3-4H,2H2,1H3/t4-,5?/m0/s1","InChI=1S/C4H7NO/c1-2-3-5-4-6/h2,4H,1,3H2,(H,5,6)",27.68005,-4.89222,
6018,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[N:4]1[C:5](=[O:6])[H:13])([H:7])([H:8])[H:9],[C:1]([C:2](=[N+:4]([C-:3]([H:11])[H:12])[C:5](=[O:6])[H:13])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4-2-5(4)3-6/h3-4H,2H2,1H3/t4-,5?/m0/s1","InChI=1S/C4H7NO/c1-3-5(2)4-6/h3-4H,2H2,1H3",35.41294,32.9323,
6019,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[N:4]1[C:5](=[O:6])[H:13])([H:7])([H:8])[H:9],[C:1]([C:5](=[O:6])[H:13])([H:7])([H:8])[H:9].[C:2]1([H:10])=[N:4][C:3]1([H:11])[H:12],"InChI=1S/C4H7NO/c1-4-2-5(4)3-6/h3-4H,2H2,1H3/t4-,5?/m0/s1","InChI=1S/C2H3N.C2H4O/c1-2-3-1;1-2-3/h1H,2H2;2H,1H3",92.61133000000001,37.41639,
6020,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[N:4]1[C:5](=[O:6])[H:13])([H:7])([H:8])[H:9],[C:1](/[C:2](=[N:4]/[C:3]([C:5](=[O:6])[H:13])([H:11])[H:12])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4-2-5(4)3-6/h3-4H,2H2,1H3/t4-,5?/m0/s1","InChI=1S/C4H7NO/c1-2-5-3-4-6/h2,4H,3H2,1H3/b5-2+",68.5814,-4.432180000000001,
6021,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[N:4]1[C:5](=[O:6])[H:13])([H:7])([H:8])[H:9],[C:1]1([H:7])([H:9])[C:2]([H:8])([H:10])[C:3]([H:11])([H:12])[N:4]=[C:5]([H:13])[O:6]1,"InChI=1S/C4H7NO/c1-4-2-5(4)3-6/h3-4H,2H2,1H3/t4-,5?/m0/s1","InChI=1S/C4H7NO/c1-2-5-4-6-3-1/h4H,1-3H2",56.06486999999999,-12.893889999999999,
6022,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[N:4]1[C:5](=[O:6])[H:13])([H:7])([H:8])[H:9],[C:1](=[C:2]([N+:4]([C-:3]([H:11])[H:12])=[C:5]([O:6][H:7])[H:13])[H:10])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4-2-5(4)3-6/h3-4H,2H2,1H3/t4-,5?/m0/s1","InChI=1S/C4H7NO/c1-3-5(2)4-6/h3-4,6H,1-2H2",64.47824,51.44124,
6023,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[N:4]1[C:5](=[O:6])[H:13])([H:7])([H:8])[H:9],[C:1](/[C:2](=[C:3](\[N:4]=[C:5](/[O:6][H:12])[H:13])[H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4-2-5(4)3-6/h3-4H,2H2,1H3/t4-,5?/m0/s1","InChI=1S/C4H7NO/c1-2-3-5-4-6/h2-4H,1H3,(H,5,6)/b3-2-",38.525090000000006,-13.09026,
6024,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[N:4]1[C:5](=[O:6])[H:13])([H:7])([H:8])[H:9],[C:1]([C:2]1=[N+:4]([C-:5]([O:6][H:10])[H:13])[C:3]1([H:11])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4-2-5(4)3-6/h3-4H,2H2,1H3/t4-,5?/m0/s1","InChI=1S/C4H7NO/c1-4-2-5(4)3-6/h3,6H,2H2,1H3",64.62165,54.61691999999999,
6025,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[N:4]1[C:5](=[O:6])[H:13])([H:7])([H:8])[H:9],[C:1]([C:2][C:3]([N:4]([C:5](=[O:6])[H:13])[H:10])([H:11])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4-2-5(4)3-6/h3-4H,2H2,1H3/t4-,5?/m0/s1","InChI=1S/C4H7NO/c1-2-3-5-4-6/h4H,3H2,1H3,(H,5,6)",63.56683,57.984719999999996,
6026,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[N:4]1[C:5](=[O:6])[H:13])([H:7])([H:8])[H:9],[C:1]([C-:2]([N+:4]1=[C:5]([H:13])[O:6][C:3]1([H:11])[H:12])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4-2-5(4)3-6/h3-4H,2H2,1H3/t4-,5?/m0/s1","InChI=1S/C4H7NO/c1-2-5-3-6-4-5/h2-3H,4H2,1H3",77.78696,61.153940000000006,
6027,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4]([C:5]([O:6][H:18])([H:16])[H:17])([H:14])[H:15])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4](=[C:5]([H:16])[H:17])[H:14])[H:10])([H:7])([H:8])[H:9].[O:6]([H:15])[H:18],"InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3","InChI=1S/C5H10.H2O/c1-4-5(2)3;/h4-5H,1H2,2-3H3;1H2",59.475880000000004,9.04921,"1,3_Insertion_ROR"
6028,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4]([C:5]([O:6][H:18])([H:16])[H:17])([H:14])[H:15])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]([H:11])[H:12])[C:4]([C:5]([O:6][H:18])([H:16])[H:17])([H:14])[H:15])([H:7])([H:8])[H:9].[H:10][H:13],"InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3","InChI=1S/C5H10O.H2/c1-5(2)3-4-6;/h6H,1,3-4H2,2H3;1H",104.05991,27.884240000000002,
6029,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4]([C:5]([O:6][H:18])([H:16])[H:17])([H:14])[H:15])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])=[C:4]([H:14])[H:15])([H:7])([H:8])[H:9].[C:5](=[O:6])([H:16])[H:17].[H:10][H:18],"InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3","InChI=1S/C4H8.CH2O.H2/c1-4(2)3;1-2;/h1H2,2-3H3;1H2;1H",60.304269999999995,41.355140000000006,
6030,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4]([C:5]([O:6][H:18])([H:16])[H:17])([H:14])[H:15])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4]([C:5](=[O:6])[H:17])([H:14])[H:15])[H:10])([H:7])([H:8])[H:9].[H:16][H:18],"InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3","InChI=1S/C5H10O.H2/c1-5(2)3-4-6;/h4-5H,3H2,1-2H3;1H",79.04996,16.08201,
6031,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4]([C:5]([O:6][H:18])([H:16])[H:17])([H:14])[H:15])[H:10])([H:7])([H:8])[H:9],[C:1]1([H:7])([H:9])[C:2]([C:3]([H:11])([H:12])[H:13])([H:10])[C:4]([H:14])([H:15])[C:5]1([H:16])[H:17].[O:6]([H:8])[H:18],"InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3","InChI=1S/C5H10.H2O/c1-5-3-2-4-5;/h5H,2-4H2,1H3;1H2",85.63623,14.6926,
6032,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4]([C:5]([O:6][H:18])([H:16])[H:17])([H:14])[H:15])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4]([H:14])([H:15])[H:16])[H:10])([H:7])([H:8])[H:9].[C:5]([O:6][H:18])[H:17],"InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3","InChI=1S/C4H10.CH2O/c1-4(2)3;1-2/h4H,1-3H3;1-2H",71.58652,69.14126999999999,
6033,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4]([C:5]([O:6][H:18])([H:16])[H:17])([H:14])[H:15])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2][C:3]([H:11])([H:12])[H:13])([H:7])([H:8])[H:9].[C:4]([C:5]([O:6][H:18])([H:16])[H:17])([H:10])([H:14])[H:15],"InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3","InChI=1S/C3H6.C2H6O/c1-3-2;1-2-3/h1-2H3;3H,2H2,1H3",84.46261,92.53443,
6034,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4]([C:5]([O:6][H:18])([H:16])[H:17])([H:14])[H:15])[H:10])([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:16].[C@@:2]1([C:3]([H:11])([H:12])[H:13])([H:10])[C:4]([H:14])([H:15])[C@:5]1([O:6][H:18])[H:17],"InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3","InChI=1S/C4H8O.CH4/c1-3-2-4(3)5;/h3-5H,2H2,1H3;1H4/t3-,4-;/m1./s1",87.28647,20.77228,
6035,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4]([C:5]([O:6][H:18])([H:16])[H:17])([H:14])[H:15])[H:10])([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:10].[C:2]([C:3]([H:11])([H:12])[H:13])[C:4]([C:5]([O:6][H:18])([H:16])[H:17])([H:14])[H:15],"InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3","InChI=1S/C4H8O.CH4/c1-2-3-4-5;/h5H,3-4H2,1H3;1H4",83.21561,89.46067,
6036,[C:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[N:4]1[C:5]([H:12])([H:13])[H:14])([H:6])([H:7])[H:8],[C:1]([C-:2]1[C:3]([H:10])([H:11])[N+:4]1([C:5]([H:12])([H:13])[H:14])[H:9])([H:6])([H:7])[H:8],"InChI=1S/C4H9N/c1-4-3-5(4)2/h4H,3H2,1-2H3/t4-,5?/m0/s1","InChI=1S/C4H9N/c1-4-3-5(4)2/h5H,3H2,1-2H3",70.07388,51.80343,
6037,[C:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[N:4]1[C:5]([H:12])([H:13])[H:14])([H:6])([H:7])[H:8],[C:1]([N+:4]1([C:5]([H:12])([H:13])[H:14])[C-:2]([H:9])[C:3]1([H:10])[H:11])([H:6])([H:7])[H:8],"InChI=1S/C4H9N/c1-4-3-5(4)2/h4H,3H2,1-2H3/t4-,5?/m0/s1","InChI=1S/C4H9N/c1-5(2)3-4-5/h3H,4H2,1-2H3",98.96324,59.62011999999999,
6038,[C:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[N:4]1[C:5]([H:12])([H:13])[H:14])([H:6])([H:7])[H:8],[C:1](/[C:2](=[N:4]\[C:3]([C:5]([H:12])([H:13])[H:14])([H:10])[H:11])[H:9])([H:6])([H:7])[H:8],"InChI=1S/C4H9N/c1-4-3-5(4)2/h4H,3H2,1-2H3/t4-,5?/m0/s1","InChI=1S/C4H9N/c1-3-5-4-2/h3H,4H2,1-2H3/b5-3-",87.37380999999999,-18.22779,
6039,[C:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[N:4]1[C:5]([H:12])([H:13])[H:14])([H:6])([H:7])[H:8],[C:1]([C@@:2]1([H:9])[C:3]([H:11])=[N+:4]1[C-:5]([H:12])[H:14])([H:6])([H:7])[H:8].[H:10][H:13],"InChI=1S/C4H9N/c1-4-3-5(4)2/h4H,3H2,1-2H3/t4-,5?/m0/s1","InChI=1S/C4H7N.H2/c1-4-3-5(4)2;/h3-4H,2H2,1H3;1H/t4-;/m0./s1",70.43992,63.63029,
6040,[C:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[N:4]1[C:5]([H:12])([H:13])[H:14])([H:6])([H:7])[H:8],[C:1]([C:2]1=[N+:4]([C-:5]([H:12])[H:14])[C:3]1([H:10])[H:11])([H:6])([H:7])[H:8].[H:9][H:13],"InChI=1S/C4H9N/c1-4-3-5(4)2/h4H,3H2,1-2H3/t4-,5?/m0/s1","InChI=1S/C4H7N.H2/c1-4-3-5(4)2;/h2-3H2,1H3;1H",68.36740999999999,62.94464,
6041,[C:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[N:4]1[C:5]([H:12])([H:13])[H:14])([H:6])([H:7])[H:8],[C:1]([C:2](=[C:3]([H:10])[H:11])[H:9])([H:6])([H:7])[H:8].[N:4](=[C:5]([H:12])[H:14])[H:13],"InChI=1S/C4H9N/c1-4-3-5(4)2/h4H,3H2,1-2H3/t4-,5?/m0/s1","InChI=1S/C3H6.CH3N/c1-3-2;1-2/h3H,1H2,2H3;2H,1H2",81.46401999999999,117.34552,
6042,[C:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[N:4]1[C:5]([H:12])([H:13])[H:14])([H:6])([H:7])[H:8],[C:1]([C@@:2]1([H:9])[C-:3]([H:11])[N+:4]1([C:5]([H:12])([H:13])[H:14])[H:10])([H:6])([H:7])[H:8],"InChI=1S/C4H9N/c1-4-3-5(4)2/h4H,3H2,1-2H3/t4-,5?/m0/s1","InChI=1S/C4H9N/c1-4-3-5(4)2/h3-5H,1-2H3/t4-/m0/s1",62.64989,52.4647,
6043,[C:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[N:4]1[C:5]([H:12])([H:13])[H:14])([H:6])([H:7])[H:8],[C:1]([C:2]([N:4]=[C:3]([H:10])[H:11])([C:5]([H:12])([H:13])[H:14])[H:9])([H:6])([H:7])[H:8],"InChI=1S/C4H9N/c1-4-3-5(4)2/h4H,3H2,1-2H3/t4-,5?/m0/s1","InChI=1S/C4H9N/c1-4(2)5-3/h4H,3H2,1-2H3",86.05698000000001,-17.61167,
6044,[C:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[N:4]1[C:5]([H:12])([H:13])[H:14])([H:6])([H:7])[H:8],[C:1](=[C:2]([H:6])[H:9])([H:7])[H:8].[C:3](=[N:4][C:5]([H:12])([H:13])[H:14])([H:10])[H:11],"InChI=1S/C4H9N/c1-4-3-5(4)2/h4H,3H2,1-2H3/t4-,5?/m0/s1","InChI=1S/C2H5N.C2H4/c1-3-2;1-2/h1H2,2H3;1-2H2",77.70000999999999,8.99393,
6045,[C:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[N:4]1[C:5]([H:12])([H:13])[H:14])([H:6])([H:7])[H:8],[C:1]([H:6])([H:7])([H:8])[H:10].[C:2]1([H:9])=[C:3]([H:11])[N:4]1[C:5]([H:12])([H:13])[H:14],"InChI=1S/C4H9N/c1-4-3-5(4)2/h4H,3H2,1-2H3/t4-,5?/m0/s1","InChI=1S/C3H5N.CH4/c1-4-2-3-4;/h2-3H,1H3;1H4",110.13495,58.95372,
6046,[C:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[N:4]1[C:5]([H:12])([H:13])[H:14])([H:6])([H:7])[H:8],[C:1]([C:2](=[N+:4]([C-:3]([H:10])[H:11])[C:5]([H:12])([H:13])[H:14])[H:9])([H:6])([H:7])[H:8],"InChI=1S/C4H9N/c1-4-3-5(4)2/h4H,3H2,1-2H3/t4-,5?/m0/s1","InChI=1S/C4H9N/c1-4-5(2)3/h4H,2H2,1,3H3",36.77933,21.81161,
6047,[O:1]([c:2]1[c:3]([H:8])[n:4]([H:9])[n:5][n:6]1)[H:7],[N:5]#[N:6].[O:1]([C:2](=[C:3]=[N:4][H:9])[H:8])[H:7],"InChI=1S/C2H3N3O/c6-2-1-3-5-4-2/h1H,(H2,3,4,5,6)",InChI=1S/C2H3NO.N2/c3-1-2-4;1-2/h2-4H;,68.77319,-8.620410000000001,
6048,[O:1]([c:2]1[c:3]([H:8])[n:4]([H:9])[n:5][n:6]1)[H:7],[O:1]([C-:2](/[C:3](=[N:4]/[H:9])[H:8])[N+:6]#[N:5])[H:7],"InChI=1S/C2H3N3O/c6-2-1-3-5-4-2/h1H,(H2,3,4,5,6)","InChI=1S/C2H3N3O/c3-1-2(6)5-4/h1,3,6H/b3-1+",28.73371,18.4173,
6049,[O:1]([c:2]1[c:3]([H:8])[n:4]([H:9])[n:5][n:6]1)[H:7],[O:1]([C:2]1=[N:6][N:5]=[N:4][C:3]1([H:8])[H:9])[H:7],"InChI=1S/C2H3N3O/c6-2-1-3-5-4-2/h1H,(H2,3,4,5,6)","InChI=1S/C2H3N3O/c6-2-1-3-5-4-2/h1H2,(H,3,4,6)",48.33061,16.520220000000002,
6050,[O:1]([c:2]1[c:3]([H:8])[n:4]([H:9])[n:5][n:6]1)[H:7],[O-:1][c:2]1[c:3]([H:8])[n+:4]([H:9])[n:5][n:6]1[H:7],"InChI=1S/C2H3N3O/c6-2-1-3-5-4-2/h1H,(H2,3,4,5,6)","InChI=1S/C2H3N3O/c6-2-1-3-5-4-2/h1H,(H2,3,4,5,6)",40.83797,5.961180000000001,
6051,[O:1]([c:2]1[c:3]([H:8])[n:4]([H:9])[n:5][n:6]1)[H:7],[N:4](=[N+:5]=[N-:6])[H:9].[O:1]([C:2]#[C:3][H:8])[H:7],"InChI=1S/C2H3N3O/c6-2-1-3-5-4-2/h1H,(H2,3,4,5,6)","InChI=1S/C2H2O.HN3/c1-2-3;1-3-2/h1,3H;1H",78.42596999999999,68.43746,
6052,[O:1]([c:2]1[c:3]([H:8])[n:4]([H:9])[n:5][n:6]1)[H:7],[O:1]([C:3](=[C:2]=[N:6][N:5]=[N:4][H:9])[H:8])[H:7],"InChI=1S/C2H3N3O/c6-2-1-3-5-4-2/h1H,(H2,3,4,5,6)","InChI=1S/C2H3N3O/c3-5-4-1-2-6/h2-3,6H",112.29038999999999,57.63971,
6053,[O:1]([c:2]1[c:3]([H:8])[n:4]([H:9])[n:5][n:6]1)[H:7],[O:1]([c:2]1[c:3]([H:8])[n:4][n:5]([H:9])[n:6]1)[H:7],"InChI=1S/C2H3N3O/c6-2-1-3-5-4-2/h1H,(H2,3,4,5,6)","InChI=1S/C2H3N3O/c6-2-1-3-5-4-2/h1H,(H2,3,4,5,6)",41.372040000000005,-7.10875,
6054,[O:1]([c:2]1[c:3]([H:8])[n:4]([H:9])[n:5][n:6]1)[H:7],[N:5]#[N:6].[O:1]([C:2]/[C:3](=[N:4]/[H:9])[H:8])[H:7],"InChI=1S/C2H3N3O/c6-2-1-3-5-4-2/h1H,(H2,3,4,5,6)","InChI=1S/C2H3NO.N2/c3-1-2-4;1-2/h1,3-4H;/b3-1+;",42.45745,33.25067,
6055,[O:1]([c:2]1[c:3]([H:8])[n:4]([H:9])[n:5][n:6]1)[H:7],[O:1]([C:2]1=[C:3]([H:8])[N:6]1/[N:5]=[N:4]/[H:9])[H:7],"InChI=1S/C2H3N3O/c6-2-1-3-5-4-2/h1H,(H2,3,4,5,6)","InChI=1S/C2H3N3O/c3-4-5-1-2(5)6/h1,3,6H/b4-3+",93.98291,92.16034,
6056,[N:1]([c:2]1[c:3]([H:9])[n:4][n:5][n:6]1[H:10])([H:7])[H:8],[N:1]([C:2]1=[C+:3][N:4]([H:9])[N-:5][N:6]1[H:10])([H:7])[H:8],"InChI=1S/C2H4N4/c3-2-1-4-6-5-2/h1H,(H3,3,4,5,6)","InChI=1S/C2H4N4/c3-2-1-4-6-5-2/h4-5H,3H2",78.51904,36.41818,
6057,[N:1]([c:2]1[c:3]([H:9])[n:4][n:5][n:6]1[H:10])([H:7])[H:8],[N:1]([C@:2]1([N:6]([N:5])[H:10])[C:3]([H:9])=[N:4]1)([H:7])[H:8],"InChI=1S/C2H4N4/c3-2-1-4-6-5-2/h1H,(H3,3,4,5,6)","InChI=1S/C2H4N4/c3-2(6-4)1-5-2/h1,6H,3H2/t2-/m1/s1",96.48154,68.0085,
6058,[N:1]([c:2]1[c:3]([H:9])[n:4][n:5][n:6]1[H:10])([H:7])[H:8],[N:1]([C+:2]([N:6]([N-:5][N+:4]#[C-:3])[H:10])[H:9])([H:7])[H:8],"InChI=1S/C2H4N4/c3-2-1-4-6-5-2/h1H,(H3,3,4,5,6)","InChI=1S/C2H4N4/c1-4-6-5-2-3/h2,5H,3H2",92.3998,66.93933,
6059,[N:1]([c:2]1[c:3]([H:9])[n:4][n:5][n:6]1[H:10])([H:7])[H:8],[N:1]([C@@:2]1([H:10])[C:3]([H:9])=[N:4][N:5]=[N:6]1)([H:7])[H:8],"InChI=1S/C2H4N4/c3-2-1-4-6-5-2/h1H,(H3,3,4,5,6)","InChI=1S/C2H4N4/c3-2-1-4-6-5-2/h1-2H,3H2/t2-/m1/s1",51.37585,32.0603,
6060,[N:1]([c:2]1[c:3]([H:9])[n:4][n:5][n:6]1[H:10])([H:7])[H:8],[N:1]([C:2]1=[C:3]([H:9])[N:4]1/[N:5]=[N:6]/[H:10])([H:7])[H:8],"InChI=1S/C2H4N4/c3-2-1-4-6-5-2/h1H,(H3,3,4,5,6)","InChI=1S/C2H4N4/c3-2-1-6(2)5-4/h1,4H,3H2/b5-4+",90.92036,85.77129000000001,
6061,[N:1]([c:2]1[c:3]([H:9])[n:4][n:5][n:6]1[H:10])([H:7])[H:8],[N:1](=[c:2]1\[c:3]([H:9])[n:4][n:5]([H:7])[n:6]1[H:10])\[H:8],"InChI=1S/C2H4N4/c3-2-1-4-6-5-2/h1H,(H3,3,4,5,6)","InChI=1S/C2H4N4/c3-2-1-4-6-5-2/h1H,(H3,3,4,5,6)",101.41443000000001,13.495820000000002,
6062,[N:1]([c:2]1[c:3]([H:9])[n:4][n:5][n:6]1[H:10])([H:7])[H:8],[N+:1]([C:2]1=[C:3]([H:9])[N:4]=[N:5][N-:6]1)([H:7])([H:8])[H:10],"InChI=1S/C2H4N4/c3-2-1-4-6-5-2/h1H,(H3,3,4,5,6)","InChI=1S/C2H3N4/c3-2-1-4-6-5-2/h1H,(H2-,3,4,5,6)/q-1/p+1",49.17805,37.32669,
6063,[N:1]([c:2]1[c:3]([H:9])[n:4][n:5][n:6]1[H:10])([H:7])[H:8],[N:1]([C:2](=[C:3]([N+:4]#[N:5])[H:9])[N-:6][H:10])([H:7])[H:8],"InChI=1S/C2H4N4/c3-2-1-4-6-5-2/h1H,(H3,3,4,5,6)","InChI=1S/C2H4N4/c3-2(4)1-6-5/h1,3H,4H2",15.6233,-2.4999599999999997,
6064,[N:1]([c:2]1[c:3]([H:9])[n:4][n:5][n:6]1[H:10])([H:7])[H:8],[N-:4]=[N+:5]=[N:6][H:10].[N:1]([C:2]#[C:3][H:9])([H:7])[H:8],"InChI=1S/C2H4N4/c3-2-1-4-6-5-2/h1H,(H3,3,4,5,6)","InChI=1S/C2H3N.HN3/c1-2-3;1-3-2/h1H,3H2;1H",71.29330999999999,60.36325,
6065,[N:1]([c:2]1[c:3]([H:9])[n:4][n:5][n:6]1[H:10])([H:7])[H:8],[N:1](=[C:2]1/[C:3]([H:8])([H:9])[N:4]=[N:5][N:6]1[H:10])\[H:7],"InChI=1S/C2H4N4/c3-2-1-4-6-5-2/h1H,(H3,3,4,5,6)","InChI=1S/C2H4N4/c3-2-1-4-6-5-2/h1H2,(H2,3,4,5)",57.81672,12.85811,
6066,[N:1]([c:2]1[c:3]([H:9])[n:4][n:5][n:6]1[H:10])([H:7])[H:8],[N:1]([c:2]1[c:3]([H:9])[n:4][n:5]([H:10])[n:6]1)([H:7])[H:8],"InChI=1S/C2H4N4/c3-2-1-4-6-5-2/h1H,(H3,3,4,5,6)","InChI=1S/C2H4N4/c3-2-1-4-6-5-2/h1H,(H3,3,4,5,6)",39.14696,-9.60652,
6067,[N:1]([c:2]1[c:3]([H:9])[n:4][n:5][n:6]1[H:10])([H:7])[H:8],[N:1]([C@@:2]1([H:9])[C:3]#[N+:4][N-:5][N:6]1[H:10])([H:7])[H:8],"InChI=1S/C2H4N4/c3-2-1-4-6-5-2/h1H,(H3,3,4,5,6)","InChI=1S/C2H4N4/c3-2-1-4-6-5-2/h2,5H,3H2/t2-/m1/s1",83.04547,77.32536999999999,Singlet_Carbene_Intra_Disproportionation
6068,[N:1]([c:2]1[c:3]([H:9])[n:4][n:5][n:6]1[H:10])([H:7])[H:8],[N+:1]([C:2]1=[C:3]=[N:4][N-:5][N:6]1[H:10])([H:7])([H:8])[H:9],"InChI=1S/C2H4N4/c3-2-1-4-6-5-2/h1H,(H3,3,4,5,6)","InChI=1S/C2H3N4/c3-2-1-4-6-5-2/h5H,3H2/q-1/p+1",89.0905,83.2154,
6069,[N:1]([c:2]1[c:3]([H:9])[n:4][n:5][n:6]1[H:10])([H:7])[H:8],[N:1]([C@@:2]12[C:3]([H:9])=[N:4][N:5]1[N:6]2[H:10])([H:7])[H:8],"InChI=1S/C2H4N4/c3-2-1-4-6-5-2/h1H,(H3,3,4,5,6)","InChI=1S/C2H4N4/c3-2-1-4-6(2)5-2/h1,5H,3H2/t2-,6?/m1/s1",84.31029000000001,69.79337,
6070,[C:1]([C:2]#[C:3][C:4]([C:5]#[C:6][H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]#[C:3]/[C:4](=[C:5](\[C:6][H:12])[H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C6H6/c1-3-5-6-4-2/h1H,5H2,2H3","InChI=1S/C6H6/c1-3-5-6-4-2/h1,3,5H,2H3/b5-3-",55.252680000000005,50.57832,
6071,[C:1]([C:2]#[C:3][C:4]([C:5]#[C:6][H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]#[C:3][C:4]([C:6](=[C:5])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C6H6/c1-3-5-6-4-2/h1H,5H2,2H3","InChI=1S/C6H6/c1-3-5-6-4-2/h4H,6H2,1H3",56.98075,50.50313,Singlet_Carbene_Intra_Disproportionation
6072,[C:1]([C:2]#[C:3][C:4]([C:5]#[C:6][H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3])[C:4]([C:5]#[C:6][H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C6H6/c1-3-5-6-4-2/h1H,5H2,2H3","InChI=1S/C6H6/c1-4-5-6(2)3/h1H,5H2,2H3",55.6654,52.77871999999999,
6073,[C:1]([C:2]#[C:3][C:4]([C:5]#[C:6][H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]1=[C+:3][C:4]([H:10])([H:11])[C-:5]=[C:6]1[H:12])([H:7])([H:8])[H:9],"InChI=1S/C6H6/c1-3-5-6-4-2/h1H,5H2,2H3","InChI=1S/C6H6/c1-6-4-2-3-5-6/h5H,2H2,1H3",76.86882,49.10925,
6074,[O:1]=[c:2]1[n:3]([H:7])[c:4]([H:8])[n:5][n:6]1[H:9],[C:4](#[N:5])[H:8].[O:1]1/[C:2](=[N:3]\[H:7])[N:6]1[H:9],"InChI=1S/C2H3N3O/c6-2-3-1-4-5-2/h1H,(H2,3,4,5,6)","InChI=1S/CH2N2O.CHN/c2-1-3-4-1;1-2/h(H2,2,3);1H",93.29863,85.27555,
6075,[O:1]=[c:2]1[n:3]([H:7])[c:4]([H:8])[n:5][n:6]1[H:9],[O:1]([c:2]1=[n:3][c:4]([H:8])[n:5][n:6]1[H:9])[H:7],"InChI=1S/C2H3N3O/c6-2-3-1-4-5-2/h1H,(H2,3,4,5,6)","InChI=1S/C2H3N3O/c6-2-3-1-4-5-2/h1H,(H2,3,4,5,6)",48.3101,6.0666199999999995,ketoenol
6076,[O:1]=[c:2]1[n:3]([H:7])[c:4]([H:8])[n:5][n:6]1[H:9],[O-:1][c:2]1[n+:3]([H:7])[c:4]([H:8])[n:5]([H:9])[n:6]1,"InChI=1S/C2H3N3O/c6-2-3-1-4-5-2/h1H,(H2,3,4,5,6)","InChI=1S/C2H3N3O/c6-2-3-1-4-5-2/h1H,(H2,3,4,5,6)",57.28969,16.896,
6077,[O:1]=[c:2]1[n:3]([H:7])[c:4]([H:8])[n:5][n:6]1[H:9],[N:3](=[C:4]=[N:5][H:8])[H:7].[O:1]=[C:2]=[N:6][H:9],"InChI=1S/C2H3N3O/c6-2-3-1-4-5-2/h1H,(H2,3,4,5,6)",InChI=1S/CH2N2.CHNO/c2*2-1-3/h2-3H;2H,74.70725999999999,4.03552,
6078,[O:1]=[c:2]1[n:3]([H:7])[c:4]([H:8])[n:5][n:6]1[H:9],[O:1]=[C:2]([N:3]([H:7])[H:8])[N:6]([N+:5]#[C-:4])[H:9],"InChI=1S/C2H3N3O/c6-2-3-1-4-5-2/h1H,(H2,3,4,5,6)","InChI=1S/C2H3N3O/c1-4-5-2(3)6/h(H3,3,5,6)",83.07749,41.10982,
6079,[O:1]=[c:2]1[n:3]([H:7])[c:4]([H:8])[n:5][n:6]1[H:9],[N:3](=[C:4](/[N:5]=[N:6]/[H:9])[H:8])\[H:7].[O+:1]#[C-:2],"InChI=1S/C2H3N3O/c6-2-3-1-4-5-2/h1H,(H2,3,4,5,6)","InChI=1S/CH3N3.CO/c2-1-4-3;1-2/h1-3H;/b2-1+,4-3+;",65.57016999999999,58.732209999999995,
6080,[O:1]=[c:2]1[n:3]([H:7])[c:4]([H:8])[n:5][n:6]1[H:9],[O:1]=[c:2]1[n+:3]([H:7])[c-:4][n:5]([H:8])[n:6]1[H:9],"InChI=1S/C2H3N3O/c6-2-3-1-4-5-2/h1H,(H2,3,4,5,6)","InChI=1S/C2H3N3O/c6-2-3-1-4-5-2/h3H,(H2,4,5,6)",64.36681,36.56906,
6081,[O:1]=[c:2]1[n:3]([H:7])[c:4]([H:8])[n:5][n:6]1[H:9],[O:1]([c:2]1[n:3]([H:7])[c:4]([H:8])[n:5][n:6]1)[H:9],"InChI=1S/C2H3N3O/c6-2-3-1-4-5-2/h1H,(H2,3,4,5,6)","InChI=1S/C2H3N3O/c6-2-3-1-4-5-2/h1H,(H2,3,4,5,6)",53.67935,13.060039999999999,ketoenol
6082,[O:1]=[c:2]1[n:3]([H:7])[c:4]([H:8])[n:5][n:6]1[H:9],[O:1]=[C:2]1[N:5](/[C:4](=[N:3]/[H:7])[H:8])[N:6]1[H:9],"InChI=1S/C2H3N3O/c6-2-3-1-4-5-2/h1H,(H2,3,4,5,6)","InChI=1S/C2H3N3O/c3-1-5-2(6)4-5/h1,3H,(H,4,6)/b3-1+",68.68536,56.123169999999995,
6083,[O:1]=[c:2]1[n:3]([H:7])[c:4]([H:8])[n:5][n:6]1[H:9],[C:4](#[N+:5][N-:6][H:9])[H:8].[O:1]=[C:2]=[N:3][H:7],"InChI=1S/C2H3N3O/c6-2-3-1-4-5-2/h1H,(H2,3,4,5,6)",InChI=1S/CH2N2.CHNO/c1-3-2;2-1-3/h1-2H;2H,70.35432,56.113409999999995,
6084,[O:1]=[c:2]1[n:3]([H:7])[c:4]([H:8])[n:5][n:6]1[H:9],[O:1]=[C:2](/[N:6]=[N:5]\[C:4](=[N:3]\[H:7])[H:8])[H:9],"InChI=1S/C2H3N3O/c6-2-3-1-4-5-2/h1H,(H2,3,4,5,6)","InChI=1S/C2H3N3O/c3-1-4-5-2-6/h1-3H/b3-1+,5-4-",69.64615,60.09027,
6085,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])=[C:5]([H:14])[C:6]1([H:15])[H:16],[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C:5][C:6]1([H:15])[H:16],"InChI=1S/C6H10/c1-2-4-6-5-3-1/h1-2H,3-6H2",InChI=1S/C6H10/c1-2-4-6-5-3-1/h1-5H2,72.81385999999999,76.16545,Singlet_Carbene_Intra_Disproportionation
6086,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])=[C:5]([H:14])[C:6]1([H:15])[H:16],[C:1]([C:2]([C:3]([H:7])([H:11])[H:12])([H:9])[H:10])(=[C:6]([H:15])[H:16])[H:8].[C:4](#[C:5][H:14])[H:13],"InChI=1S/C6H10/c1-2-4-6-5-3-1/h1-2H,3-6H2","InChI=1S/C4H8.C2H2/c1-3-4-2;1-2/h3H,1,4H2,2H3;1-2H",126.92485,57.99985,
6087,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])=[C:5]([H:14])[C:6]1([H:15])[H:16],[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]([H:11])([H:12])[C:4]1([C:5](=[C:6]([H:15])[H:16])[H:14])[H:13],"InChI=1S/C6H10/c1-2-4-6-5-3-1/h1-2H,3-6H2","InChI=1S/C6H10/c1-2-6-4-3-5-6/h2,6H,1,3-5H2",85.0185,25.66235,
6088,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])=[C:5]([H:14])[C:6]1([H:15])[H:16],[C:1](=[C:2]([C:3]([C:4]([C:5](=[C:6]([H:15])[H:16])[H:14])([H:9])[H:13])([H:11])[H:12])[H:10])([H:7])[H:8],"InChI=1S/C6H10/c1-2-4-6-5-3-1/h1-2H,3-6H2","InChI=1S/C6H10/c1-3-5-6-4-2/h3-4H,1-2,5-6H2",81.12909,21.10099,
6089,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])=[C:5]([H:14])[C:6]1([H:15])[H:16],[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C+:3]([H:12])[C:4]([H:13])=[C-:5][C:6]1([H:15])[H:16].[H:11][H:14],"InChI=1S/C6H10/c1-2-4-6-5-3-1/h1-2H,3-6H2","InChI=1S/C6H8.H2/c1-2-4-6-5-3-1;/h1-2H,3,5-6H2;1H",105.97849,91.36953000000001,
6090,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])=[C:5]([H:14])[C:6]1([H:15])[H:16],[C:1](=[C:2]([H:9])[H:10])([H:7])[H:8].[C:3](=[C:4]([C:5](=[C:6]([H:15])[H:16])[H:14])[H:13])([H:11])[H:12],"InChI=1S/C6H10/c1-2-4-6-5-3-1/h1-2H,3-6H2","InChI=1S/C4H6.C2H4/c1-3-4-2;1-2/h3-4H,1-2H2;1-2H2",50.46692,41.21709,Diels_alder_addition
6091,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])=[C:5]([H:14])[C:6]1([H:15])[H:16],[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]([H:11])=[C:4]=[C:5]([H:14])[C:6]1([H:15])[H:16].[H:12][H:13],"InChI=1S/C6H10/c1-2-4-6-5-3-1/h1-2H,3-6H2","InChI=1S/C6H8.H2/c1-2-4-6-5-3-1;/h1,5H,2,4,6H2;1H",91.99925999999999,66.69975,
6092,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])=[C:5]([H:14])[C:6]1([H:15])[H:16],[C:1]([C:2]([C:3]([H:11])([H:12])[H:16])([H:9])[H:10])(/[C:6](=[C:5](\[C:4][H:13])[H:14])[H:15])([H:7])[H:8],"InChI=1S/C6H10/c1-2-4-6-5-3-1/h1-2H,3-6H2","InChI=1S/C6H10/c1-3-5-6-4-2/h1,3,5H,4,6H2,2H3/b5-3-",113.36791000000001,91.61444,
6093,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])=[C:5]([H:14])[C:6]1([H:15])[H:16],[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:11])([H:12])[C:4]2=[C:5]([H:14])[C:6]1([H:15])[H:16].[H:10][H:13],"InChI=1S/C6H10/c1-2-4-6-5-3-1/h1-2H,3-6H2","InChI=1S/C6H8.H2/c1-2-5-4-6(5)3-1;/h2,6H,1,3-4H2;1H/t6-;/m0./s1",103.56011,73.77494,
6094,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])=[C:5]([H:14])[C:6]1([H:15])[H:16],[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]([H:11])=[C:4]([H:13])[C:5]([H:14])=[C:6]1[H:15].[H:12][H:16],"InChI=1S/C6H10/c1-2-4-6-5-3-1/h1-2H,3-6H2","InChI=1S/C6H8.H2/c1-2-4-6-5-3-1;/h1-4H,5-6H2;1H",51.48944,26.25743,
6095,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])=[C:5]([H:14])[C:6]1([H:15])[H:16],[C:1](=[C:6]([H:15])[H:16])([H:7])[H:8].[C:2](=[C:3]([H:11])[H:12])([H:9])[H:10].[C:4](#[C:5][H:14])[H:13],"InChI=1S/C6H10/c1-2-4-6-5-3-1/h1-2H,3-6H2",InChI=1S/2C2H4.C2H2/c3*1-2/h2*1-2H2;1-2H,111.76657,83.59719,
6096,[C:1]([C:2](=[O:3])[C:4]#[N:5])([H:6])([H:7])[H:8],[C:1](=[C:2]([O:3][H:7])[C:4]#[N:5])([H:6])[H:8],InChI=1S/C3H3NO/c1-3(5)2-4/h1H3,"InChI=1S/C3H3NO/c1-3(5)2-4/h5H,1H2",64.10064,6.20102,ketoenol
6097,[C:1]([C:2](=[O:3])[C:4]#[N:5])([H:6])([H:7])[H:8],[C:1]([C-:2]=[O+:3][C:4]#[N:5])([H:6])([H:7])[H:8],InChI=1S/C3H3NO/c1-3(5)2-4/h1H3,InChI=1S/C3H3NO/c1-2-5-3-4/h1H3,93.55734,78.44523000000001,
6098,[C:1]([C:2](=[O:3])[C:4]#[N:5])([H:6])([H:7])[H:8],[C:1]([C:2](=[O:3])[N+:5]#[C-:4])([H:6])([H:7])[H:8],InChI=1S/C3H3NO/c1-3(5)2-4/h1H3,InChI=1S/C3H3NO/c1-3(5)4-2/h1H3,40.98805,17.163439999999998,
6099,[C:1]([C:2](=[O:3])[C:4]#[N:5])([H:6])([H:7])[H:8],[C:1](=[C:2]=[O:3])([H:6])[H:8].[C:4]=[N:5][H:7],InChI=1S/C3H3NO/c1-3(5)2-4/h1H3,InChI=1S/C2H2O.CHN/c1-2-3;1-2/h1H2;2H,64.88176,42.13714,
6100,[C:1]([C:2](=[O:3])[C:4]#[N:5])([H:6])([H:7])[H:8],[C:1]([O+:3]=[C:2]=[C:4]=[N-:5])([H:6])([H:7])[H:8],InChI=1S/C3H3NO/c1-3(5)2-4/h1H3,InChI=1S/C3H3NO/c1-5-3-2-4/h1H3,104.41453,59.24193,
6101,[C:1]([C:2](=[O:3])[C:4]#[N:5])([H:6])([H:7])[H:8],[C:1]([N:5]=[C:4]=[C:2]=[O:3])([H:6])([H:7])[H:8],InChI=1S/C3H3NO/c1-3(5)2-4/h1H3,InChI=1S/C3H3NO/c1-4-2-3-5/h1H3,85.6481,38.95747,
6102,[C:1]([C:2](=[O:3])[C:4]#[N:5])([H:6])([H:7])[H:8],[C:1]([C:2](=[O:3])[H:7])([C:4]#[N:5])([H:6])[H:8],InChI=1S/C3H3NO/c1-3(5)2-4/h1H3,"InChI=1S/C3H3NO/c4-2-1-3-5/h3H,1H2",88.19672,2.74701,
6103,[O:1]=[C:2]([C:3](=[O:4])[C:5]#[C:6][H:8])[H:7],[O-:1][C:2](=[C:3]([O:4][H:8])[C:5]#[C+:6])[H:7],"InChI=1S/C4H2O2/c1-2-4(6)3-5/h1,3H","InChI=1S/C4H2O2/c1-2-4(6)3-5/h3H,(H-,5,6)",76.11281,42.03668,
6104,[O:1]=[C:2]([C:3](=[O:4])[C:5]#[C:6][H:8])[H:7],[C-:3]([O:4][H:7])=[C:5]=[C+:6][H:8].[O+:1]#[C-:2],"InChI=1S/C4H2O2/c1-2-4(6)3-5/h1,3H","InChI=1S/C3H2O.CO/c1-2-3-4;1-2/h1,4H;",48.55404,46.788990000000005,
6105,[O:1]=[C:2]([C:3](=[O:4])[C:5]#[C:6][H:8])[H:7],[O:1]=[C:2]([C:6](=[C:5]=[C:3]=[O:4])[H:8])[H:7],"InChI=1S/C4H2O2/c1-2-4(6)3-5/h1,3H","InChI=1S/C4H2O2/c5-3-1-2-4-6/h1,3H",43.548190000000005,-12.6327,
6106,[O:1]=[C:2]([C:3](=[O:4])[C:5]#[C:6][H:8])[H:7],[O:1]([C:2](=[C:3]=[O:4])[H:7])[C:5]#[C:6][H:8],"InChI=1S/C4H2O2/c1-2-4(6)3-5/h1,3H","InChI=1S/C4H2O2/c1-2-6-4-3-5/h1,4H",70.34633000000001,33.16008,ketoenol
6107,[O:1]=[C:2]([C:3](=[O:4])[C:5]#[C:6][H:8])[H:7],[O:1]=[C:2]([C:3]#[C:5][C:6](=[O:4])[H:8])[H:7],"InChI=1S/C4H2O2/c1-2-4(6)3-5/h1,3H",InChI=1S/C4H2O2/c5-3-1-2-4-6/h3-4H,73.26448,-1.078,
6108,[O:1]=[C:2]([C:3](=[O:4])[C:5]#[C:6][H:8])[H:7],[O-:1][C:2](=[C:3]=[O+:4][C:5]#[C:6][H:8])[H:7],"InChI=1S/C4H2O2/c1-2-4(6)3-5/h1,3H","InChI=1S/C4H2O2/c1-2-6-4-3-5/h1,3H",97.24004000000001,77.43387,
6109,[O:1]=[C:2]([C:3](=[O:4])[C:5]#[C:6][H:8])[H:7],[O:1]=[C:2]([C:3](=[O:4])[C:5](=[C:6])[H:8])[H:7],"InChI=1S/C4H2O2/c1-2-4(6)3-5/h1,3H",InChI=1S/C4H2O2/c1-2-4(6)3-5/h2-3H,41.962270000000004,44.92505,Singlet_Carbene_Intra_Disproportionation
6110,[O:1]=[C:2]([C:3](=[O:4])[C:5]#[C:6][H:8])[H:7],[C:3](=[O:4])=[C:5]=[C:6]([H:7])[H:8].[O+:1]#[C-:2],"InChI=1S/C4H2O2/c1-2-4(6)3-5/h1,3H",InChI=1S/C3H2O.CO/c1-2-3-4;1-2/h1H2;,22.222520000000003,-10.31588,
6111,[O:1]=[C:2]([C:3](=[O:4])[C:5]#[C:6][H:8])[H:7],[O+:1](=[C-:2][H:7])[c:5]1[c:3](=[O:4])[c:6]1[H:8],"InChI=1S/C4H2O2/c1-2-4(6)3-5/h1,3H",InChI=1S/C4H2O2/c1-6-4-2-3(4)5/h1-2H,84.20401,73.33957,
6112,[O:1]=[C:2]([C:3](=[O:4])[C:5]#[C:6][H:8])[H:7],[O:1]=[C:2]([O+:4]=[C-:3][C:5]#[C:6][H:8])[H:7],"InChI=1S/C4H2O2/c1-2-4(6)3-5/h1,3H","InChI=1S/C4H2O2/c1-2-3-6-4-5/h1,4H",50.606590000000004,43.73525,
6113,[C:1]1([H:7])([H:8])[O:2][C:3]12[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C:6]2([H:13])[H:14],[C:1]([C:3]1([O:2][H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])[H:7],InChI=1S/C5H8O/c1-2-5(3-1)4-6-5/h1-4H2,"InChI=1S/C5H8O/c1-5(6)3-2-4-5/h1,6H,2-4H2",68.92593000000001,67.15701999999999,
6114,[C:1]1([H:7])([H:8])[O:2][C:3]12[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C:6]2([H:13])[H:14],[C:1](=[O:2])([H:7])[H:8].[C:3]1(=[C:6]([H:13])[H:14])[C:4]([H:9])([H:10])[C:5]1([H:11])[H:12],InChI=1S/C5H8O/c1-2-5(3-1)4-6-5/h1-4H2,InChI=1S/C4H6.CH2O/c1-4-2-3-4;1-2/h1-3H2;1H2,65.25209,17.51915,
6115,[C:1]1([H:7])([H:8])[O:2][C:3]12[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C:6]2([H:13])[H:14],[C:1]([O:2][C:3]1=[C:4]([H:9])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])([H:7])([H:8])[H:10],InChI=1S/C5H8O/c1-2-5(3-1)4-6-5/h1-4H2,"InChI=1S/C5H8O/c1-6-5-3-2-4-5/h3H,2,4H2,1H3",89.97678,-4.12825,
6116,[C:1]1([H:7])([H:8])[O:2][C:3]12[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C:6]2([H:13])[H:14],[C:1]1([H:7])([H:8])[O+:2]=[C-:3][C:6]([H:13])([H:14])[C:5]([H:11])([H:12])[C:4]1([H:9])[H:10],InChI=1S/C5H8O/c1-2-5(3-1)4-6-5/h1-4H2,InChI=1S/C5H8O/c1-2-4-6-5-3-1/h1-4H2,85.22879,20.565620000000003,
6117,[C:1]1([H:7])([H:8])[O:2][C:3]12[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C:6]2([H:13])[H:14],[C-:1](=[O+:2][C:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])[H:7],InChI=1S/C5H8O/c1-2-5(3-1)4-6-5/h1-4H2,"InChI=1S/C5H8O/c1-6-5-3-2-4-5/h1,5H,2-4H2",75.53187,47.67215,
6118,[C:1]1([H:7])([H:8])[O:2][C:3]12[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C:6]2([H:13])[H:14],[C+:1](=[C:3]([O-:2])[C:4]([C:5]([C:6]([H:8])([H:13])[H:14])([H:11])[H:12])([H:9])[H:10])[H:7],InChI=1S/C5H8O/c1-2-5(3-1)4-6-5/h1-4H2,"InChI=1S/C5H8O/c1-3-4-5(2)6/h2H,3-4H2,1H3",92.27526999999999,37.00874,
6119,[C:1]1([H:7])([H:8])[O:2][C:3]12[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C:6]2([H:13])[H:14],[C:1]1([H:7])([H:8])[O:2][C:3]1=[C:6]([H:13])[H:14].[C:4](=[C:5]([H:11])[H:12])([H:9])[H:10],InChI=1S/C5H8O/c1-2-5(3-1)4-6-5/h1-4H2,InChI=1S/C3H4O.C2H4/c1-3-2-4-3;1-2/h1-2H2;1-2H2,85.33279,24.26409,
6120,[C:1]1([H:7])([H:8])[O:2][C:3]12[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C:6]2([H:13])[H:14],[C:1](=[O:2])([H:7])[H:8].[C@@:3]12([H:12])[C:4]([H:9])([H:10])[C@:5]1([H:11])[C:6]2([H:13])[H:14],InChI=1S/C5H8O/c1-2-5(3-1)4-6-5/h1-4H2,"InChI=1S/C4H6.CH2O/c1-3-2-4(1)3;1-2/h3-4H,1-2H2;1H2/t3-,4+;",81.92688000000001,26.80237,
6121,[C:1]1([H:7])([H:8])[O:2][C:3]12[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C:6]2([H:13])[H:14],[C:1]1([H:7])([H:8])[O:2][C@@:3]1([C:4]([H:9])([H:10])[H:11])[C:6]([C:5][H:12])([H:13])[H:14],InChI=1S/C5H8O/c1-2-5(3-1)4-6-5/h1-4H2,"InChI=1S/C5H8O/c1-3-5(2)4-6-5/h1H,3-4H2,2H3/t5-/m0/s1",76.81121,77.15007,
6122,[C:1]1([H:7])([H:8])[O:2][C:3]12[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C:6]2([H:13])[H:14],[C:1]([O:2][C:3]12[C:4]([H:9])([H:10])[C:5]1([H:11])[C:6]2([H:13])[H:14])([H:7])([H:8])[H:12],InChI=1S/C5H8O/c1-2-5(3-1)4-6-5/h1-4H2,"InChI=1S/C5H8O/c1-6-5-2-4(5)3-5/h4H,2-3H2,1H3",91.1105,20.94132,
6123,[C:1]1([H:7])([H:8])[O:2][C:3]12[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C:6]2([H:13])[H:14],[C:1](=[O:2])([H:7])[H:8].[C:3]1([H:10])=[C:4]([H:9])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14],InChI=1S/C5H8O/c1-2-5(3-1)4-6-5/h1-4H2,"InChI=1S/C4H6.CH2O/c1-2-4-3-1;1-2/h1-2H,3-4H2;1H2",70.82124,12.98503,
6124,[C:1]1([H:7])([H:8])[O:2][C:3]12[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C:6]2([H:13])[H:14],[C-:1]([O+:2]=[C:3]1[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])([H:7])[H:8],InChI=1S/C5H8O/c1-2-5(3-1)4-6-5/h1-4H2,InChI=1S/C5H8O/c1-6-5-3-2-4-5/h1-4H2,54.10501,40.59702,
6125,[C:1]1([H:7])([H:8])[O:2][C:3]12[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C:6]2([H:13])[H:14],[C:1]([C:3](=[O:2])[C:4]([C:5](=[C:6]([H:13])[H:14])[H:11])([H:9])[H:10])([H:7])([H:8])[H:12],InChI=1S/C5H8O/c1-2-5(3-1)4-6-5/h1-4H2,"InChI=1S/C5H8O/c1-3-4-5(2)6/h3H,1,4H2,2H3",65.46916,-30.9077,
6126,[C:1]1([H:7])([H:8])[O:2][C:3]12[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C:6]2([H:13])[H:14],[C:1]1([H:7])([H:8])[O:2][C@@:3]1([C:4]([C:5]([H:11])([H:12])[H:13])([H:9])[H:10])[C:6][H:14],InChI=1S/C5H8O/c1-2-5(3-1)4-6-5/h1-4H2,"InChI=1S/C5H8O/c1-3-5(2)4-6-5/h2H,3-4H2,1H3/t5-/m1/s1",78.703,77.47842,
6127,[C:1]1([H:7])([H:8])[O:2][C:3]12[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C:6]2([H:13])[H:14],[C:1]([C:5]1([H:11])[C:4]([H:9])([H:10])[C:3](=[O:2])[C:6]1([H:13])[H:14])([H:7])([H:8])[H:12],InChI=1S/C5H8O/c1-2-5(3-1)4-6-5/h1-4H2,"InChI=1S/C5H8O/c1-4-2-5(6)3-4/h4H,2-3H2,1H3",77.68401999999999,-29.54376,
6128,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C@@:4]2([H:9])[C:5]([H:10])([H:11])[C@@:6]12[H:12],[O:1]=[C:2]1[C:3]([H:7])([H:8])[C@:4]1([C:6](=[C:5]([H:10])[H:11])[H:12])[H:9],"InChI=1S/C5H6O/c6-5-2-3-1-4(3)5/h3-4H,1-2H2/t3-,4-/m1/s1","InChI=1S/C5H6O/c1-2-4-3-5(4)6/h2,4H,1,3H2/t4-/m1/s1",70.62742,11.28707,
6129,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C@@:4]2([H:9])[C:5]([H:10])([H:11])[C@@:6]12[H:12],[O:1]=[C:2]=[C:6]([C:5]([C:4](=[C:3]([H:7])[H:8])[H:9])([H:10])[H:11])[H:12],"InChI=1S/C5H6O/c6-5-2-3-1-4(3)5/h3-4H,1-2H2/t3-,4-/m1/s1","InChI=1S/C5H6O/c1-2-3-4-5-6/h2,4H,1,3H2",18.700039999999998,-6.06352,
6130,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C@@:4]2([H:9])[C:5]([H:10])([H:11])[C@@:6]12[H:12],[O:1]=[C:2]([C:3]([H:7])([H:8])[H:9])[C@@:6]1([H:12])[C:4][C:5]1([H:10])[H:11],"InChI=1S/C5H6O/c6-5-2-3-1-4(3)5/h3-4H,1-2H2/t3-,4-/m1/s1","InChI=1S/C5H6O/c1-4(6)5-2-3-5/h5H,2H2,1H3/t5-/m1/s1",65.38183000000001,67.55619,
6131,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C@@:4]2([H:9])[C:5]([H:10])([H:11])[C@@:6]12[H:12],[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:11])[C@:6]1([C:5][H:10])[H:12],"InChI=1S/C5H6O/c6-5-2-3-1-4(3)5/h3-4H,1-2H2/t3-,4-/m1/s1","InChI=1S/C5H6O/c1-4-2-3-5(4)6/h1,4H,2-3H2/t4-/m1/s1",66.7271,71.57145,
6132,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C@@:4]2([H:9])[C:5]([H:10])([H:11])[C@@:6]12[H:12],[O:1]([C+:2]1[C:3]([H:7])([H:8])[C-:4]2[C:5]([H:10])([H:11])[C@@:6]12[H:12])[H:9],"InChI=1S/C5H6O/c6-5-2-3-1-4(3)5/h3-4H,1-2H2/t3-,4-/m1/s1","InChI=1S/C5H6O/c6-5-2-3-1-4(3)5/h4,6H,1-2H2/t4-/m1/s1",89.12399,61.203480000000006,
6133,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C@@:4]2([H:9])[C:5]([H:10])([H:11])[C@@:6]12[H:12],[O-:1][C:6](=[C+:2][C:3]([C:4](=[C:5]([H:10])[H:11])[H:9])([H:7])[H:8])[H:12],"InChI=1S/C5H6O/c6-5-2-3-1-4(3)5/h3-4H,1-2H2/t3-,4-/m1/s1","InChI=1S/C5H6O/c1-2-3-4-5-6/h2,5H,1,3H2",66.09449000000001,61.37854,
6134,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C@@:4]2([H:9])[C:5]([H:10])([H:11])[C@@:6]12[H:12],[O:1]1/[C:2](=[C:6](/[C:4](=[C:5]([H:10])[H:11])[H:9])[H:12])[C:3]1([H:7])[H:8],"InChI=1S/C5H6O/c6-5-2-3-1-4(3)5/h3-4H,1-2H2/t3-,4-/m1/s1","InChI=1S/C5H6O/c1-2-3-5-4-6-5/h2-3H,1,4H2/b5-3+",95.87401,19.7251,
6135,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C@@:4]2([H:9])[C:5]([H:10])([H:11])[C@@:6]12[H:12],[O:1]=[C:6]([C:2]12[C:3]([H:7])([H:8])[C:4]1([H:9])[C:5]2([H:10])[H:11])[H:12],"InChI=1S/C5H6O/c6-5-2-3-1-4(3)5/h3-4H,1-2H2/t3-,4-/m1/s1","InChI=1S/C5H6O/c6-3-5-1-4(5)2-5/h3-4H,1-2H2",66.09349,12.1932,
6136,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C@@:4]2([H:9])[C:5]([H:10])([H:11])[C@@:6]12[H:12],[O:1]([C:2]1=[C:3]([H:8])[C@@:4]2([H:9])[C:5]([H:10])([H:11])[C@@:6]12[H:12])[H:7],"InChI=1S/C5H6O/c6-5-2-3-1-4(3)5/h3-4H,1-2H2/t3-,4-/m1/s1","InChI=1S/C5H6O/c6-5-2-3-1-4(3)5/h2-4,6H,1H2/t3-,4-/m1/s1",74.32913,24.343429999999998,ketoenol
6137,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C@@:4]2([H:9])[C:5]([H:10])([H:11])[C@@:6]12[H:12],[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])=[C:6]1[H:12],"InChI=1S/C5H6O/c6-5-2-3-1-4(3)5/h3-4H,1-2H2/t3-,4-/m1/s1","InChI=1S/C5H6O/c6-5-3-1-2-4-5/h1,3H,2,4H2",69.15302,-30.85735,
6138,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C@@:4]2([H:9])[C:5]([H:10])([H:11])[C@@:6]12[H:12],[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([C:5][H:11])([H:9])[C:6]1([H:10])[H:12],"InChI=1S/C5H6O/c6-5-2-3-1-4(3)5/h3-4H,1-2H2/t3-,4-/m1/s1","InChI=1S/C5H6O/c1-4-2-5(6)3-4/h1,4H,2-3H2",66.49818,71.88646,
6139,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C@@:4]2([H:9])[C:5]([H:10])([H:11])[C@@:6]12[H:12],[C:3](=[C:4]([C:6](=[C:5]([H:10])[H:11])[H:12])[H:9])([H:7])[H:8].[O+:1]#[C-:2],"InChI=1S/C5H6O/c6-5-2-3-1-4(3)5/h3-4H,1-2H2/t3-,4-/m1/s1","InChI=1S/C4H6.CO/c1-3-4-2;1-2/h3-4H,1-2H2;",60.32454,-5.7369699999999995,
6140,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C@@:4]2([H:9])[C:5]([H:10])([H:11])[C@@:6]12[H:12],[O:1]=[C:2]=[C:3]([C:6]1([H:12])[C:4]([H:8])([H:9])[C:5]1([H:10])[H:11])[H:7],"InChI=1S/C5H6O/c6-5-2-3-1-4(3)5/h3-4H,1-2H2/t3-,4-/m1/s1","InChI=1S/C5H6O/c6-4-3-5-1-2-5/h3,5H,1-2H2",70.36573,-1.16865,
6141,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C@@:4]2([H:9])[C:5]([H:10])([H:11])[C@@:6]12[H:12],[O:1]=[C:2](/[C:3](=[C:4](\[C:6](=[C:5]([H:10])[H:11])[H:12])[H:9])[H:8])[H:7],"InChI=1S/C5H6O/c6-5-2-3-1-4(3)5/h3-4H,1-2H2/t3-,4-/m1/s1","InChI=1S/C5H6O/c1-2-3-4-5-6/h2-5H,1H2/b4-3-",73.84040999999999,-8.6411,
6142,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C@@:4]2([H:9])[C:5]([H:10])([H:11])[C@@:6]12[H:12],[O:1]([C:2]1=[C:6]2[C@@:4]([H:9])([C:3]1([H:7])[H:8])[C:5]2([H:10])[H:11])[H:12],"InChI=1S/C5H6O/c6-5-2-3-1-4(3)5/h3-4H,1-2H2/t3-,4-/m1/s1","InChI=1S/C5H6O/c6-5-2-3-1-4(3)5/h3,6H,1-2H2/t3-/m1/s1",72.10308,48.02499,ketoenol
6143,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C@@:4]2([H:9])[C:5]([H:10])([H:11])[C@@:6]12[H:12],[O-:1][C:2]1=[C:3]([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[C+:6]1[H:12],"InChI=1S/C5H6O/c6-5-2-3-1-4(3)5/h3-4H,1-2H2/t3-,4-/m1/s1","InChI=1S/C5H6O/c6-5-3-1-2-4-5/h3-4H,1-2H2",78.22355999999999,16.930889999999998,
6144,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C@@:4]2([H:9])[C:5]([H:10])([H:11])[C@@:6]12[H:12],[O:1]=[C:2]([C:3]([C:4]1([H:9])[C:5]([H:11])=[C:6]1[H:12])([H:7])[H:8])[H:10],"InChI=1S/C5H6O/c6-5-2-3-1-4(3)5/h3-4H,1-2H2/t3-,4-/m1/s1","InChI=1S/C5H6O/c6-4-3-5-1-2-5/h1-2,4-5H,3H2",78.271,28.65035,
6145,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C@@:4]2([H:9])[C:5]([H:10])([H:11])[C@@:6]12[H:12],[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4][C:5]([H:10])([H:11])[C:6]1([H:9])[H:12],"InChI=1S/C5H6O/c6-5-2-3-1-4(3)5/h3-4H,1-2H2/t3-,4-/m1/s1","InChI=1S/C5H6O/c6-5-3-1-2-4-5/h1,3-4H2",58.231,48.17552,
6146,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C@@:4]2([H:9])[C:5]([H:10])([H:11])[C@@:6]12[H:12],[O-:1][C:2](=[C+:3][H:8])[C:6]1([H:12])[C:4]([H:7])([H:9])[C:5]1([H:10])[H:11],"InChI=1S/C5H6O/c6-5-2-3-1-4(3)5/h3-4H,1-2H2/t3-,4-/m1/s1","InChI=1S/C5H6O/c1-4(6)5-2-3-5/h1,5H,2-3H2",72.07258,63.24403,
6147,[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([O:4][H:13])[C:5]([O:6][H:16])([H:14])[H:15])([H:7])([H:8])[H:9],[C:1]([C:2](=[O:4])[C:5]([O:6][H:13])([H:14])[H:15])([H:7])([H:8])[H:9].[C:3]([H:10])([H:11])([H:12])[H:16],"InChI=1S/C4H10O2/c1-4(2,6)3-5/h5-6H,3H2,1-2H3","InChI=1S/C3H6O2.CH4/c1-3(5)2-4;/h4H,2H2,1H3;1H4",54.02191,2.3122599999999998,
6148,[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([O:4][H:13])[C:5]([O:6][H:16])([H:14])[H:15])([H:7])([H:8])[H:9],[C:1]([C:2]1([C:3]([H:10])([H:11])[H:12])[O:4][C:5]1([H:14])[H:15])([H:7])([H:8])[H:9].[O:6]([H:13])[H:16],"InChI=1S/C4H10O2/c1-4(2,6)3-5/h5-6H,3H2,1-2H3","InChI=1S/C4H8O.H2O/c1-4(2)3-5-4;/h3H2,1-2H3;1H2",56.50898000000001,23.37066,
6149,[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([O:4][H:13])[C:5]([O:6][H:16])([H:14])[H:15])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]([H:10])[H:11])[O:4][H:13])([H:7])([H:8])[H:9].[C:5](=[O:6])([H:14])[H:15].[H:12][H:16],"InChI=1S/C4H10O2/c1-4(2,6)3-5/h5-6H,3H2,1-2H3","InChI=1S/C3H6O.CH2O.H2/c1-3(2)4;1-2;/h4H,1H2,2H3;1H2;1H",66.04348,42.586209999999994,
6150,[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([O:4][H:13])[C:5]([O:6][H:16])([H:14])[H:15])([H:7])([H:8])[H:9],[C:1]([C:5]([C:2]([C:3]([H:10])([H:11])[H:12])=[O:4])([H:14])[H:15])([H:7])([H:8])[H:9].[O:6]([H:13])[H:16],"InChI=1S/C4H10O2/c1-4(2,6)3-5/h5-6H,3H2,1-2H3","InChI=1S/C4H8O.H2O/c1-3-4(2)5;/h3H2,1-2H3;1H2",60.7639,-0.77496,
6151,[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([O:4][H:13])[C:5]([O:6][H:16])([H:14])[H:15])([H:7])([H:8])[H:9],[C:1](=[C:2]([C:3]([H:10])([H:11])[H:12])[C:5]([O:6][H:16])([H:14])[H:15])([H:8])[H:9].[O:4]([H:7])[H:13],"InChI=1S/C4H10O2/c1-4(2,6)3-5/h5-6H,3H2,1-2H3","InChI=1S/C4H8O.H2O/c1-4(2)3-5;/h5H,1,3H2,2H3;1H2",59.68865,17.19621,"1,3_Insertion_ROR"
6152,[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([O:4][H:13])[C:5]([O:6][H:16])([H:14])[H:15])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])=[O:4])([H:7])([H:8])[H:9].[C:5](=[O:6])([H:14])[H:15].[H:13][H:16],"InChI=1S/C4H10O2/c1-4(2,6)3-5/h5-6H,3H2,1-2H3",InChI=1S/C3H6O.CH2O.H2/c1-3(2)4;1-2;/h1-2H3;1H2;1H,62.92844,33.20598,
6153,[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([O:4][H:13])[C:5]([O:6][H:16])([H:14])[H:15])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([O:4][H:13])[C:5](=[O:6])[H:15])([H:7])([H:8])[H:9].[H:14][H:16],"InChI=1S/C4H10O2/c1-4(2,6)3-5/h5-6H,3H2,1-2H3","InChI=1S/C4H8O2.H2/c1-4(2,6)3-5;/h3,6H,1-2H3;1H",76.94138000000001,16.99614,
6154,[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([O:4][H:13])[C:5]([O:6][H:16])([H:14])[H:15])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([C:5](=[O:6])[H:14])[H:15])([H:7])([H:8])[H:9].[O:4]([H:13])[H:16],"InChI=1S/C4H10O2/c1-4(2,6)3-5/h5-6H,3H2,1-2H3","InChI=1S/C4H8O.H2O/c1-4(2)3-5;/h3-4H,1-2H3;1H2",47.8443,4.04035,
6155,[C:1]([C:2]([C:3]#[C:4][C:5](=[O:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:6][C:5](=[C:4]=[C:3]=[C:2]([H:10])[H:11])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C5H6O/c1-2-3-4-5-6/h5H,2H2,1H3","InChI=1S/C5H6O/c1-3-4-5-6-2/h5H,1H2,2H3",83.43596,16.917270000000002,
6156,[C:1]([C:2]([C:3]#[C:4][C:5](=[O:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]1([H:7])([H:9])[C:2]([H:10])([H:11])[C:3]1([C+:4]=[C:5]([O-:6])[H:12])[H:8],"InChI=1S/C5H6O/c1-2-3-4-5-6/h5H,2H2,1H3","InChI=1S/C5H6O/c6-4-3-5-1-2-5/h4-5H,1-2H2",79.13054,50.97923,
6157,[C:1]([C:2]([C:3]#[C:4][C:5](=[O:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]=[C:4]=[C:5]=[O:6])[H:10])([H:7])([H:8])[H:9].[H:11][H:12],"InChI=1S/C5H6O/c1-2-3-4-5-6/h5H,2H2,1H3","InChI=1S/C5H4O.H2/c1-2-3-4-5-6;/h2H,1H3;1H",51.23815,20.8497,
6158,[C:1]([C:2]([C:3]#[C:4][C:5](=[O:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]1([H:7])([H:9])[C:2]([H:10])([H:11])[C:3]/[C:4]1=[C:5](/[O:6][H:8])[H:12],"InChI=1S/C5H6O/c1-2-3-4-5-6/h5H,2H2,1H3","InChI=1S/C5H6O/c6-4-5-2-1-3-5/h4,6H,1-2H2/b5-4+",93.25891,61.30441,
6159,[C:1]([C:2]([C:3]#[C:4][C:5](=[O:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]1([H:7])([H:9])[C:2]([H:10])([H:11])[C:3]1=[C:4]=[C:5]([O:6][H:8])[H:12],"InChI=1S/C5H6O/c1-2-3-4-5-6/h5H,2H2,1H3","InChI=1S/C5H6O/c6-4-3-5-1-2-5/h4,6H,1-2H2",68.18719,19.70187,
6160,[C:1]([C:2]([C:3]#[C:4][C:5](=[O:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:4](=[C:3]=[C:2]([H:10])[H:11])[C:5](=[O:6])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C5H6O/c1-2-3-4-5-6/h5H,2H2,1H3","InChI=1S/C5H6O/c1-3-5(2)4-6/h4H,1H2,2H3",89.68556,-10.095889999999999,
6161,[C:1]([C:2]([C:3]#[C:4][C:5](=[O:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]=[C:4]=[C:5]([O:6][H:11])[H:12])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H6O/c1-2-3-4-5-6/h5H,2H2,1H3","InChI=1S/C5H6O/c1-2-3-4-5-6/h2,5-6H,1H3",53.113690000000005,4.79349,
6162,[C:1]([C:2]([C:3]#[C:4][C:5](=[O:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]([C+:4]=[C:5]([O-:6])[H:12])[H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H6O/c1-2-3-4-5-6/h5H,2H2,1H3","InChI=1S/C5H6O/c1-2-3-4-5-6/h2-3,5H,1H3",57.4551,39.42353,
6163,[C:1]([C:2]([C:3]#[C:4][C:5](=[O:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([C:4]#[C:5][H:12])=[O:6])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H6O/c1-2-3-4-5-6/h5H,2H2,1H3","InChI=1S/C5H6O/c1-3-5(6)4-2/h1H,4H2,2H3",70.79724,-0.32166999999999996,
6164,[C:1]([C:2]([C:3]#[C:4][C:5](=[O:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3](=[C:4])[C:5](=[O:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H6O/c1-2-3-4-5-6/h5H,2H2,1H3","InChI=1S/C5H6O/c1-3-5(2)4-6/h4H,3H2,1H3",51.30835,53.40215,
6165,[C:1]([C:2]([C:3]#[C:4][C:5](=[O:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]1([H:7])([H:9])[C:2]([H:10])([H:11])[C:3][C@@:4]1([C:5](=[O:6])[H:12])[H:8],"InChI=1S/C5H6O/c1-2-3-4-5-6/h5H,2H2,1H3","InChI=1S/C5H6O/c6-4-5-2-1-3-5/h4-5H,1-2H2/t5-/m1/s1",89.23569,65.76293000000001,
6166,[C:1]([C:2]([C:3]#[C:4][C:5](=[O:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]1([H:7])([H:9])[C:2]([H:10])([H:11])[C:3]1=[C:4]([C:5](=[O:6])[H:12])[H:8],"InChI=1S/C5H6O/c1-2-3-4-5-6/h5H,2H2,1H3","InChI=1S/C5H6O/c6-4-3-5-1-2-5/h3-4H,1-2H2",78.37444,-1.1645,
6167,[C:1]([C:2]([C:3]#[C:4][C:5](=[O:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3](=[C-:4][H:12])[C:5]#[O+:6])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H6O/c1-2-3-4-5-6/h5H,2H2,1H3","InChI=1S/C5H6O/c1-3-5(2)4-6/h2H,3H2,1H3",56.849109999999996,19.7631,
6168,[C:1]([C:2]([C:3]#[C:4][C:5](=[O:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:3](=[C:2]([H:10])[H:11])[C+:4]=[C:5]([O-:6])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C5H6O/c1-2-3-4-5-6/h5H,2H2,1H3","InChI=1S/C5H6O/c1-5(2)3-4-6/h4H,1H2,2H3",70.82455,41.15033,
6169,[C:1]([C:2]([C:3]#[C:4][C:5](=[O:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([C:5](=[C:4])[H:12])=[O:6])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H6O/c1-2-3-4-5-6/h5H,2H2,1H3","InChI=1S/C5H6O/c1-3-5(6)4-2/h4H,3H2,1H3",70.78598000000001,44.82868,
6170,[C:1]([O:2][C:3]([C:4]#[C:5][H:11])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1](=[O:2])([H:7])[H:8].[C:3](=[C:4]=[C:5]([H:6])[H:11])([H:9])[H:10],"InChI=1S/C4H6O/c1-3-4-5-2/h1H,4H2,2H3",InChI=1S/C3H4.CH2O/c1-3-2;1-2/h1-2H2;1H2,30.31493,-3.43645,Retroene
6171,[C:1]([O:2][C:3]([C:4]#[C:5][H:11])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([O:2][C:3]([C:5](=[C:4])[H:11])([H:9])[H:10])([H:6])([H:7])[H:8],"InChI=1S/C4H6O/c1-3-4-5-2/h1H,4H2,2H3","InChI=1S/C4H6O/c1-3-4-5-2/h3H,4H2,2H3",51.21679,46.80934,Singlet_Carbene_Intra_Disproportionation
6172,[C:1]([O:2][C:3]([C:4]#[C:5][H:11])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([O:2][C:5](=[C:4]=[C:3]([H:9])[H:10])[H:11])([H:6])([H:7])[H:8],"InChI=1S/C4H6O/c1-3-4-5-2/h1H,4H2,2H3","InChI=1S/C4H6O/c1-3-4-5-2/h4H,1H2,2H3",56.94575,-8.03774,
6173,[C:1]([O:2][C:3]([C:4]#[C:5][H:11])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([O:2]/[C:3](=[C:4](\[C:5][H:11])[H:9])[H:10])([H:6])([H:7])[H:8],"InChI=1S/C4H6O/c1-3-4-5-2/h1H,4H2,2H3","InChI=1S/C4H6O/c1-3-4-5-2/h1,3-4H,2H3/b4-3-",56.59856,47.36722,
6174,[C:1]([n:2]1[n:3][c:4]([H:10])[c:5]([H:11])[n:6]1)([H:7])([H:8])[H:9],[C:1]([N:2]=[N:3][C:4](=[C:5]=[N:6][H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C3H5N3/c1-6-4-2-3-5-6/h2-3H,1H3","InChI=1S/C3H5N3/c1-5-6-3-2-4/h3-4H,1H3",81.01456,38.87246,
6175,[C:1]([n:2]1[n:3][c:4]([H:10])[c:5]([H:11])[n:6]1)([H:7])([H:8])[H:9],[C:1]([N:2]1[N-:3][C:4]([H:10])=[C+:5][N:6]1[H:11])([H:7])([H:8])[H:9],"InChI=1S/C3H5N3/c1-6-4-2-3-5-6/h2-3H,1H3","InChI=1S/C3H5N3/c1-6-4-2-3-5-6/h2,5H,1H3",81.02393000000001,53.48175,
6176,[C:1]([n:2]1[n:3][c:4]([H:10])[c:5]([H:11])[n:6]1)([H:7])([H:8])[H:9],[C:1]([N-:2][N+:6]#[C:5][H:11])([H:7])([H:8])[H:9].[N:3]#[C:4][H:10],"InChI=1S/C3H5N3/c1-6-4-2-3-5-6/h2-3H,1H3","InChI=1S/C2H4N2.CHN/c1-3-4-2;1-2/h1H,2H3;1H",66.01015,57.81435,
6177,[C:1]([n:2]1[n:3][c:4]([H:10])[c:5]([H:11])[n:6]1)([H:7])([H:8])[H:9],[C:1]([n:3]1[n:2][n:6][c:5]([H:11])[c:4]1[H:10])([H:7])([H:8])[H:9],"InChI=1S/C3H5N3/c1-6-4-2-3-5-6/h2-3H,1H3","InChI=1S/C3H5N3/c1-6-3-2-4-5-6/h2-3H,1H3",62.58021,8.10886,
6178,[C:1]([n:2]1[n:3][c:4]([H:10])[c:5]([H:11])[n:6]1)([H:7])([H:8])[H:9],[C:1](/[N:2]=[N:3]/[C@@:4]1([H:10])[C:5]([H:11])=[N:6]1)([H:7])([H:8])[H:9],"InChI=1S/C3H5N3/c1-6-4-2-3-5-6/h2-3H,1H3","InChI=1S/C3H5N3/c1-4-6-3-2-5-3/h2-3H,1H3/b6-4+/t3-/m0/s1",70.91709,61.15775,
6179,[C:1]([n:2]1[n:3][c:4]([H:10])[c:5]([H:11])[n:6]1)([H:7])([H:8])[H:9],[C:1](=[N+:2]1[N-:3][C:4]([H:8])([H:10])[C:5]([H:11])=[N:6]1)([H:7])[H:9],"InChI=1S/C3H5N3/c1-6-4-2-3-5-6/h2-3H,1H3","InChI=1S/C3H5N3/c1-6-4-2-3-5-6/h2H,1,3H2",96.1142,46.22869,
6180,[C:1]([n:2]1[n:3][c:4]([H:10])[c:5]([H:11])[n:6]1)([H:7])([H:8])[H:9],[C:1]([N:2]([N+:3]#[C-:4])[N:6]=[C:5]([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C3H5N3/c1-6-4-2-3-5-6/h2-3H,1H3","InChI=1S/C3H5N3/c1-4-6(3)5-2/h1H2,3H3",88.84894,66.89086,
6181,[C:1]([n:2]1[n:3][c:4]([H:10])[c:5]([H:11])[n:6]1)([H:7])([H:8])[H:9],[C:1](=[N+:2]1[N-:3][C:4]([H:10])=[C:5]([H:11])[N:6]1[H:8])([H:7])[H:9],"InChI=1S/C3H5N3/c1-6-4-2-3-5-6/h2-3H,1H3","InChI=1S/C3H5N3/c1-6-4-2-3-5-6/h2-3H,1H2,(H,4,5)",69.86768000000001,48.81904,
6182,[C:1]([n:2]1[n:3][c:4]([H:10])[c:5]([H:11])[n:6]1)([H:7])([H:8])[H:9],[C:1]([N:2]([N+:3]#[C-:4])[N+:6]#[C-:5])([H:7])([H:8])[H:9].[H:10][H:11],"InChI=1S/C3H5N3/c1-6-4-2-3-5-6/h2-3H,1H3",InChI=1S/C3H3N3.H2/c1-4-6(3)5-2;/h3H3;1H,150.62261,121.07811000000001,
6183,[C:1]([C:2](=[O:3])[C:4]([O:5][H:11])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([C@:2]([O:3][H:11])([C:4](=[O:5])[H:9])[H:10])([H:6])([H:7])[H:8],"InChI=1S/C3H6O2/c1-3(5)2-4/h4H,2H2,1H3","InChI=1S/C3H6O2/c1-3(5)2-4/h2-3,5H,1H3/t3-/m0/s1",36.71606,4.66477,
6184,[C:1]([C:2](=[O:3])[C:4]([O:5][H:11])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1](=[C:2]=[O:3])([H:6])[H:7].[C:4]([O:5][H:11])([H:8])([H:9])[H:10],"InChI=1S/C3H6O2/c1-3(5)2-4/h4H,2H2,1H3","InChI=1S/C2H2O.CH4O/c1-2-3;1-2/h1H2;2H,1H3",75.44088,27.567940000000004,"1,3_Insertion_ROR"
6185,[C:1]([C:2](=[O:3])[C:4]([O:5][H:11])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1](/[C:2]([O:3][H:11])=[C:4](/[O:5][H:10])[H:9])([H:6])([H:7])[H:8],"InChI=1S/C3H6O2/c1-3(5)2-4/h4H,2H2,1H3","InChI=1S/C3H6O2/c1-3(5)2-4/h2,4-5H,1H3/b3-2-",60.486430000000006,7.237439999999999,ketoenol
6186,[C:1]([C:2](=[O:3])[C:4]([O:5][H:11])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([C:2](=[O:3])[C:4](=[O:5])[H:9])([H:6])([H:7])[H:8].[H:10][H:11],"InChI=1S/C3H6O2/c1-3(5)2-4/h4H,2H2,1H3","InChI=1S/C3H4O2.H2/c1-3(5)2-4;/h2H,1H3;1H",87.44258,29.550079999999998,
6187,[C:1]([C:2](=[O:3])[C:4]([O:5][H:11])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1](=[C:2]([O:3][H:8])[C:4]([O:5][H:11])([H:9])[H:10])([H:6])[H:7],"InChI=1S/C3H6O2/c1-3(5)2-4/h4H,2H2,1H3","InChI=1S/C3H6O2/c1-3(5)2-4/h4-5H,1-2H2",64.73929,12.402519999999999,ketoenol
6188,[C:1]([C:2](=[O:3])[C:4]([O:5][H:11])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([C@:2]1([O:3][H:11])[C:4]([H:9])([H:10])[O:5]1)([H:6])([H:7])[H:8],"InChI=1S/C3H6O2/c1-3(5)2-4/h4H,2H2,1H3","InChI=1S/C3H6O2/c1-3(4)2-5-3/h4H,2H2,1H3/t3-/m1/s1",48.015570000000004,20.63614,
6189,[C:1]([C:2](=[O:3])[C:4]([O:5][H:11])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([C:2]([O:3][O:5][H:11])=[C:4]([H:9])[H:10])([H:6])([H:7])[H:8],"InChI=1S/C3H6O2/c1-3(5)2-4/h4H,2H2,1H3","InChI=1S/C3H6O2/c1-3(2)5-4/h4H,1H2,2H3",100.08285,67.87281,ketoenol
6190,[C:1]([C:2](=[O:3])[C:4]([O:5][H:11])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([O+:3]=[C-:2][C:4]([O:5][H:11])([H:9])[H:10])([H:6])([H:7])[H:8],"InChI=1S/C3H6O2/c1-3(5)2-4/h4H,2H2,1H3","InChI=1S/C3H6O2/c1-5-3-2-4/h4H,2H2,1H3",108.98706000000001,70.51198000000001,
6191,[C:1]([C:2](=[O:3])[C:4]([O:5][H:11])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([C-:2]=[O+:3][C:4]([O:5][H:11])([H:9])[H:10])([H:6])([H:7])[H:8],"InChI=1S/C3H6O2/c1-3(5)2-4/h4H,2H2,1H3","InChI=1S/C3H6O2/c1-2-5-3-4/h4H,3H2,1H3",99.37913,65.4408,
6192,[O:1]([c:2]1[n:3][o:4][c:5]([H:8])[n:6]1)[H:7],[O:1]([C:2](=[N:3])[N:6]=[C:5]([O:4])[H:8])[H:7],"InChI=1S/C2H2N2O2/c5-2-3-1-6-4-2/h1H,(H,4,5)","InChI=1S/C2H2N2O2/c3-2(6)4-1-5/h1,6H",45.98089,34.59239,
6193,[O:1]([c:2]1[n:3][o:4][c:5]([H:8])[n:6]1)[H:7],[C:5](#[N:6])[H:8].[O:1]([C:2]#[N+:3][O-:4])[H:7],"InChI=1S/C2H2N2O2/c5-2-3-1-6-4-2/h1H,(H,4,5)",InChI=1S/CHNO2.CHN/c3-1-2-4;1-2/h3H;1H,63.16916,64.31723000000001,
6194,[O:1]([c:2]1[n:3][o:4][c:5]([H:8])[n:6]1)[H:7],[O-:1][c:2]1[n:3][o:4][c:5]([H:8])[n+:6]1[H:7],"InChI=1S/C2H2N2O2/c5-2-3-1-6-4-2/h1H,(H,4,5)","InChI=1S/C2H2N2O2/c5-2-3-1-6-4-2/h1H,(H,4,5)",43.85241,13.62793,ketoenol
6195,[O:1]([c:2]1[n:3][o:4][c:5]([H:8])[n:6]1)[H:7],[O:1]([N:3]=[C:2]=[N:6][C:5](=[O:4])[H:8])[H:7],"InChI=1S/C2H2N2O2/c5-2-3-1-6-4-2/h1H,(H,4,5)","InChI=1S/C2H2N2O2/c5-2-3-1-4-6/h2,6H",58.99536,32.70236,
6196,[O:1]([c:2]1[n:3][o:4][c:5]([H:8])[n:6]1)[H:7],[O:1]=[c:2]1[n:3]([H:7])[o:4][c:5]([H:8])[n:6]1,"InChI=1S/C2H2N2O2/c5-2-3-1-6-4-2/h1H,(H,4,5)","InChI=1S/C2H2N2O2/c5-2-3-1-6-4-2/h1H,(H,4,5)",46.44546,5.12694,ketoenol
6197,[O:1]([c:2]1[n:3][o:4][c:5]([H:8])[n:6]1)[H:7],[O:1]([C:2](=[N:3][O:4][H:8])[N+:6]#[C-:5])[H:7],"InChI=1S/C2H2N2O2/c5-2-3-1-6-4-2/h1H,(H,4,5)","InChI=1S/C2H2N2O2/c1-3-2(5)4-6/h6H,(H,4,5)",57.64411,43.1827,
6198,[O:1]([c:2]1[n:3][o:4][c:5]([H:8])[n:6]1)[H:7],[O:1]([C:2](=[N:3][O-:4])[N+:6]#[C:5][H:8])[H:7],"InChI=1S/C2H2N2O2/c5-2-3-1-6-4-2/h1H,(H,4,5)","InChI=1S/C2H2N2O2/c1-3-2(5)4-6/h1H,(H-,4,5,6)",92.23278,62.02013,
6199,[O:1]([c:2]1[n:3][o:4][c:5]([H:8])[n:6]1)[H:7],[O:1]([C:2]1=[N:6][C@:5]2([H:8])[N:3]1[O:4]2)[H:7],"InChI=1S/C2H2N2O2/c5-2-3-1-6-4-2/h1H,(H,4,5)","InChI=1S/C2H2N2O2/c5-1-3-2-4(1)6-2/h2H,(H,3,5)/t2-,4?/m1/s1",79.29679,69.56271,
6200,[O:1]([c:2]1[n:3][o:4][c:5]([H:8])[n:6]1)[H:7],[C:5](#[N:6])[H:8].[O:1]([C:2]([N:3])=[O:4])[H:7],"InChI=1S/C2H2N2O2/c5-2-3-1-6-4-2/h1H,(H,4,5)","InChI=1S/CHNO2.CHN/c2-1(3)4;1-2/h(H,3,4);1H",99.57484000000001,59.16457,
6201,[C:1]([C:2]1([C:3]([H:10])([H:11])[H:12])[C:4]([H:13])([H:14])[C@:5]1([O:6][H:16])[H:15])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]([H:10])[H:11])[C:4]([C:5][O:6][H:16])([H:13])[H:14])([H:7])([H:8])[H:9].[H:12][H:15],"InChI=1S/C5H10O/c1-5(2)3-4(5)6/h4,6H,3H2,1-2H3/t4-/m1/s1","InChI=1S/C5H8O.H2/c1-5(2)3-4-6;/h6H,1,3H2,2H3;1H",82.57564,68.43884,
6202,[C:1]([C:2]1([C:3]([H:10])([H:11])[H:12])[C:4]([H:13])([H:14])[C@:5]1([O:6][H:16])[H:15])([H:7])([H:8])[H:9],[C:1]([C:2]1([C:3]([H:10])([H:11])[H:12])[C:4]([H:13])=[C:5]1[H:15])([H:7])([H:8])[H:9].[O:6]([H:14])[H:16],"InChI=1S/C5H10O/c1-5(2)3-4(5)6/h4,6H,3H2,1-2H3/t4-/m1/s1","InChI=1S/C5H8.H2O/c1-5(2)3-4-5;/h3-4H,1-2H3;1H2",72.83164000000001,36.078359999999996,
6203,[C:1]([C:2]1([C:3]([H:10])([H:11])[H:12])[C:4]([H:13])([H:14])[C@:5]1([O:6][H:16])[H:15])([H:7])([H:8])[H:9],[C:1](=[C:2]([C:3]([H:10])([H:11])[H:12])[C:4]([C:5](=[O:6])[H:15])([H:13])[H:14])([H:7])[H:9].[H:8][H:16],"InChI=1S/C5H10O/c1-5(2)3-4(5)6/h4,6H,3H2,1-2H3/t4-/m1/s1","InChI=1S/C5H8O.H2/c1-5(2)3-4-6;/h4H,1,3H2,2H3;1H",41.26627,13.471379999999998,
6204,[C:1]([C:2]1([C:3]([H:10])([H:11])[H:12])[C:4]([H:13])([H:14])[C@:5]1([O:6][H:16])[H:15])([H:7])([H:8])[H:9],[C:1]([C:2]1=[C:4]([H:14])[C@:5]1([O:6][H:16])[H:15])([H:7])([H:8])[H:9].[C:3]([H:10])([H:11])([H:12])[H:13],"InChI=1S/C5H10O/c1-5(2)3-4(5)6/h4,6H,3H2,1-2H3/t4-/m1/s1","InChI=1S/C4H6O.CH4/c1-3-2-4(3)5;/h2,4-5H,1H3;1H4/t4-;/m1./s1",112.64883999999999,34.61911,
6205,[C:1]([C:2]1([C:3]([H:10])([H:11])[H:12])[C:4]([H:13])([H:14])[C@:5]1([O:6][H:16])[H:15])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]([H:10])[H:11])[H:12])([H:7])([H:8])[H:9].[C:4](=[C:5]([O:6][H:16])[H:15])([H:13])[H:14],"InChI=1S/C5H10O/c1-5(2)3-4(5)6/h4,6H,3H2,1-2H3/t4-/m1/s1","InChI=1S/C3H6.C2H4O/c1-3-2;1-2-3/h3H,1H2,2H3;2-3H,1H2",87.69846,13.86046,
6206,[C:1]([C:2]1([C:3]([H:10])([H:11])[H:12])[C:4]([H:13])([H:14])[C@:5]1([O:6][H:16])[H:15])([H:7])([H:8])[H:9],[C:1]([C@@:5]([C:2]([C:3]([H:10])([H:11])[H:12])=[C:4]([H:13])[H:14])([O:6][H:16])[H:15])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-5(2)3-4(5)6/h4,6H,3H2,1-2H3/t4-/m1/s1","InChI=1S/C5H10O/c1-4(2)5(3)6/h5-6H,1H2,2-3H3/t5-/m0/s1",108.96784,-8.19458,
6207,[C:1]([C:2]1([C:3]([H:10])([H:11])[H:12])[C:4]([H:13])([H:14])[C@:5]1([O:6][H:16])[H:15])([H:7])([H:8])[H:9],[C:1]1([H:7])([H:9])[C:2]2([C:3]([H:10])([H:11])[H:12])[C:4]([H:13])([H:14])[C:5]12[H:15].[O:6]([H:8])[H:16],"InChI=1S/C5H10O/c1-5(2)3-4(5)6/h4,6H,3H2,1-2H3/t4-/m1/s1","InChI=1S/C5H8.H2O/c1-5-2-4(5)3-5;/h4H,2-3H2,1H3;1H2",92.68692,28.41419,
6208,[C:1]([C:2]1([C:3]([H:10])([H:11])[H:12])[C:4]([H:13])([H:14])[C@:5]1([O:6][H:16])[H:15])([H:7])([H:8])[H:9],[C:1]([C:4]([C@:5]([C:2][C:3]([H:10])([H:11])[H:12])([O:6][H:16])[H:15])([H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-5(2)3-4(5)6/h4,6H,3H2,1-2H3/t4-/m1/s1","InChI=1S/C5H10O/c1-3-5(6)4-2/h5-6H,3H2,1-2H3/t5-/m1/s1",89.87491,65.21891,
6209,[C:1]([C@@:2]([O:3][H:11])([C:4]([C:5]([O:6][H:16])([H:14])[H:15])([H:12])[H:13])[H:10])([H:7])([H:8])[H:9],[C:1]([C@@:2]([O:3][H:11])([C:4]([C:5](=[O:6])[H:15])([H:12])[H:13])[H:10])([H:7])([H:8])[H:9].[H:14][H:16],"InChI=1S/C4H10O2/c1-4(6)2-3-5/h4-6H,2-3H2,1H3/t4-/m1/s1","InChI=1S/C4H8O2.H2/c1-4(6)2-3-5;/h3-4,6H,2H2,1H3;1H/t4-;/m1./s1",76.37361999999999,17.170289999999998,
6210,[C:1]([C@@:2]([O:3][H:11])([C:4]([C:5]([O:6][H:16])([H:14])[H:15])([H:12])[H:13])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2]([O:3][H:11])([C:4]([H:12])([H:13])[H:15])[H:10])([H:7])([H:8])[H:9].[C:5]([O:6][H:16])[H:14],"InChI=1S/C4H10O2/c1-4(6)2-3-5/h4-6H,2-3H2,1H3/t4-/m1/s1","InChI=1S/C3H8O.CH2O/c1-3(2)4;1-2/h3-4H,1-2H3;1-2H",74.11999,73.69877,
6211,[C:1]([C@@:2]([O:3][H:11])([C:4]([C:5]([O:6][H:16])([H:14])[H:15])([H:12])[H:13])[H:10])([H:7])([H:8])[H:9],[C:1](/[C:2](=[C:4](\[C:5]([O:6][H:16])([H:14])[H:15])[H:13])[H:10])([H:7])([H:8])[H:9].[O:3]([H:11])[H:12],"InChI=1S/C4H10O2/c1-4(6)2-3-5/h4-6H,2-3H2,1H3/t4-/m1/s1","InChI=1S/C4H8O.H2O/c1-2-3-4-5;/h2-3,5H,4H2,1H3;1H2/b3-2-;",61.66956999999999,17.33778,"1,3_Insertion_ROR"
6212,[C:1]([C@@:2]([O:3][H:11])([C:4]([C:5]([O:6][H:16])([H:14])[H:15])([H:12])[H:13])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2]([O:3][H:11])[H:10])([H:7])([H:8])[H:9].[C:4]([C:5]([O:6][H:16])[H:14])([H:12])([H:13])[H:15],"InChI=1S/C4H10O2/c1-4(6)2-3-5/h4-6H,2-3H2,1H3/t4-/m1/s1","InChI=1S/2C2H5O/c2*1-2-3/h2*2-3H,1H3",108.44188999999999,80.90389,
6213,[C:1]([C@@:2]([O:3][H:11])([C:4]([C:5]([O:6][H:16])([H:14])[H:15])([H:12])[H:13])[H:10])([H:7])([H:8])[H:9],[C:1]([C@@:2]([O:3][H:11])(/[C:4](=[C:5](\[O:6][H:16])[H:14])[H:13])[H:10])([H:7])([H:8])[H:9].[H:12][H:15],"InChI=1S/C4H10O2/c1-4(6)2-3-5/h4-6H,2-3H2,1H3/t4-/m1/s1","InChI=1S/C4H8O2.H2/c1-4(6)2-3-5;/h2-6H,1H3;1H/b3-2-;/t4-;/m1./s1",94.89179,27.710409999999996,
6214,[C:1]([C@@:2]([O:3][H:11])([C:4]([C:5]([O:6][H:16])([H:14])[H:15])([H:12])[H:13])[H:10])([H:7])([H:8])[H:9],[C:1]([C@@:2]([O:3][H:11])([C:4]([O:6][H:16])([H:12])[H:13])[H:10])([H:7])([H:8])[H:9].[C:5]([H:14])[H:15],"InChI=1S/C4H10O2/c1-4(6)2-3-5/h4-6H,2-3H2,1H3/t4-/m1/s1","InChI=1S/C3H8O2.CH2/c1-3(5)2-4;/h3-5H,2H2,1H3;1H2/t3-;/m1./s1",114.27318000000001,117.36487,
6215,[C:1]([C@@:2]([O:3][H:11])([C:4]([C:5]([O:6][H:16])([H:14])[H:15])([H:12])[H:13])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2](=[O:3])[C:4]([C:5]([O:6][H:11])([H:14])[H:15])([H:12])[H:13])([H:7])([H:8])[H:9].[H:10][H:16],"InChI=1S/C4H10O2/c1-4(6)2-3-5/h4-6H,2-3H2,1H3/t4-/m1/s1","InChI=1S/C4H8O2.H2/c1-4(6)2-3-5;/h5H,2-3H2,1H3;1H",45.61245,12.906839999999999,
6216,[C:1]([C@@:2]([O:3][H:11])([C:4]([C:5]([O:6][H:16])([H:14])[H:15])([H:12])[H:13])[H:10])([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:12].[C:2](\[O:3][H:11])(=[C:4](/[C:5]([O:6][H:16])([H:14])[H:15])[H:13])[H:10],"InChI=1S/C4H10O2/c1-4(6)2-3-5/h4-6H,2-3H2,1H3/t4-/m1/s1","InChI=1S/C3H6O2.CH4/c4-2-1-3-5;/h1-2,4-5H,3H2;1H4/b2-1+;",100.9261,16.868879999999997,
6217,[C:1]([C@@:2]([O:3][H:11])([C:4]([C:5]([O:6][H:16])([H:14])[H:15])([H:12])[H:13])[H:10])([H:7])([H:8])[H:9],[C:1]([C:4]([C:2]([O:3][H:11])([H:10])[H:16])([H:12])[H:13])([H:7])([H:8])[H:9].[C:5](=[O:6])([H:14])[H:15],"InChI=1S/C4H10O2/c1-4(6)2-3-5/h4-6H,2-3H2,1H3/t4-/m1/s1","InChI=1S/C3H8O.CH2O/c1-2-3-4;1-2/h4H,2-3H2,1H3;1H2",103.02512,21.06018,
6218,[C:1]([C@@:2]([O:3][H:11])([C:4]([C:5]([O:6][H:16])([H:14])[H:15])([H:12])[H:13])[H:10])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[O:3][C@@:4]1([C:5]([H:12])([H:14])[H:15])[H:13])([H:7])([H:8])[H:9].[O:6]([H:11])[H:16],"InChI=1S/C4H10O2/c1-4(6)2-3-5/h4-6H,2-3H2,1H3/t4-/m1/s1","InChI=1S/C4H8O.H2O/c1-3-4(2)5-3;/h3-4H,1-2H3;1H2/t3-,4-;/m1./s1",70.14191,20.86284,
6219,[C:1]([C@@:2]([O:3][H:11])([C:4]([C:5]([O:6][H:16])([H:14])[H:15])([H:12])[H:13])[H:10])([H:7])([H:8])[H:9],[C:1]([C@:2]1([H:10])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[O:6]1)([H:7])([H:8])[H:9].[O:3]([H:11])[H:16],"InChI=1S/C4H10O2/c1-4(6)2-3-5/h4-6H,2-3H2,1H3/t4-/m1/s1","InChI=1S/C4H8O.H2O/c1-4-2-3-5-4;/h4H,2-3H2,1H3;1H2/t4-;/m1./s1",63.03915,24.23922,
6220,[C:1]([C@@:2]([O:3][H:11])([C:4]([C:5]([O:6][H:16])([H:14])[H:15])([H:12])[H:13])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2][O:3][H:11])([H:7])([H:8])[H:9].[C:4]([C:5]([O:6][H:16])([H:14])[H:15])([H:10])([H:12])[H:13],"InChI=1S/C4H10O2/c1-4(6)2-3-5/h4-6H,2-3H2,1H3/t4-/m1/s1","InChI=1S/C2H6O.C2H4O/c2*1-2-3/h3H,2H2,1H3;3H,1H3",71.11669,68.70255,
6221,[C:1]([C@@:2]([O:3][H:11])([C:4]([C:5]([O:6][H:16])([H:14])[H:15])([H:12])[H:13])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2](=[O:3])[H:10])([H:7])([H:8])[H:9].[C:4](=[C:5]([H:14])[H:15])([H:12])[H:13].[O:6]([H:11])[H:16],"InChI=1S/C4H10O2/c1-4(6)2-3-5/h4-6H,2-3H2,1H3/t4-/m1/s1","InChI=1S/C2H4O.C2H4.H2O/c1-2-3;1-2;/h2H,1H3;1-2H2;1H2",43.93437,25.92445,
6222,[C:1]([C@@:2]([O:3][H:11])([C:4]([C:5]([O:6][H:16])([H:14])[H:15])([H:12])[H:13])[H:10])([H:7])([H:8])[H:9],[C:1]([C@@:2]([O:3][H:11])([C:4](=[C:5]([H:14])[H:15])[H:13])[H:10])([H:7])([H:8])[H:9].[O:6]([H:12])[H:16],"InChI=1S/C4H10O2/c1-4(6)2-3-5/h4-6H,2-3H2,1H3/t4-/m1/s1","InChI=1S/C4H8O.H2O/c1-3-4(2)5;/h3-5H,1H2,2H3;1H2/t4-;/m1./s1",62.61788000000001,13.41044,"1,3_Insertion_ROR"
6223,[C:1]([C@@:2]([O:3][H:11])([C:4]([C:5]([O:6][H:16])([H:14])[H:15])([H:12])[H:13])[H:10])([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:10].[C:2]([O:3][H:11])[C:4]([C:5]([O:6][H:16])([H:14])[H:15])([H:12])[H:13],"InChI=1S/C4H10O2/c1-4(6)2-3-5/h4-6H,2-3H2,1H3/t4-/m1/s1","InChI=1S/C3H6O2.CH4/c4-2-1-3-5;/h4-5H,1-2H2;1H4",76.36358,66.67546,
6224,[N:1]([C:2](=[O:3])[N:4](/[C:5](=[N:6]/[H:11])[H:10])[H:9])([H:7])[H:8],[C:5](#[N:6])[H:10].[N:1]([C+:2]([O:3][H:11])[N-:4][H:9])([H:7])[H:8],"InChI=1S/C2H5N3O/c3-1-5-2(4)6/h1H,(H4,3,4,5,6)","InChI=1S/CH4N2O.CHN/c2-1(3)4;1-2/h2,4H,3H2;1H",35.388020000000004,30.992140000000003,Retroene
6225,[N:1]([C:2](=[O:3])[N:4](/[C:5](=[N:6]/[H:11])[H:10])[H:9])([H:7])[H:8],[N:1]([C:2](=[O:3])/[N:4]=[C:5](/[N:6]([H:9])[H:11])[H:10])([H:7])[H:8],"InChI=1S/C2H5N3O/c3-1-5-2(4)6/h1H,(H4,3,4,5,6)","InChI=1S/C2H5N3O/c3-1-5-2(4)6/h1H,(H4,3,4,5,6)",36.54698,-2.2184,
6226,[N:1]([C:2](=[O:3])[N:4](/[C:5](=[N:6]/[H:11])[H:10])[H:9])([H:7])[H:8],[N:1]([N:6]([C@@:5]1([H:10])[C:2](=[O:3])[N:4]1[H:9])[H:11])([H:7])[H:8],"InChI=1S/C2H5N3O/c3-1-5-2(4)6/h1H,(H4,3,4,5,6)","InChI=1S/C2H5N3O/c3-5-1-2(6)4-1/h1,5H,3H2,(H,4,6)/t1-/m0/s1",115.05927,76.15659000000001,
6227,[N:1]([C:2](=[O:3])[N:4](/[C:5](=[N:6]/[H:11])[H:10])[H:9])([H:7])[H:8],[N:1]([C@@:2]12[O:3][N:6]([H:11])[C@:5]1([H:10])[N:4]2[H:9])([H:7])[H:8],"InChI=1S/C2H5N3O/c3-1-5-2(4)6/h1H,(H4,3,4,5,6)","InChI=1S/C2H5N3O/c3-2-1(4-2)5-6-2/h1,4-5H,3H2/t1-,2-/m0/s1",114.36283999999999,105.63547,
6228,[N:1]([C:2](=[O:3])[N:4](/[C:5](=[N:6]/[H:11])[H:10])[H:9])([H:7])[H:8],[N:1](/[C:2]([O:3][H:9])=[N:4]\[C:5](=[N:6]\[H:11])[H:10])([H:7])[H:8],"InChI=1S/C2H5N3O/c3-1-5-2(4)6/h1H,(H4,3,4,5,6)","InChI=1S/C2H5N3O/c3-1-5-2(4)6/h1H,(H4,3,4,5,6)",41.50516,15.61621,ketoenol
6229,[N:1]([C:2](=[O:3])[N:4](/[C:5](=[N:6]/[H:11])[H:10])[H:9])([H:7])[H:8],[N:1]([C:2](=[O:3])[N:4]([C-:5]=[N+:6]([H:10])[H:11])[H:9])([H:7])[H:8],"InChI=1S/C2H5N3O/c3-1-5-2(4)6/h1H,(H4,3,4,5,6)","InChI=1S/C2H5N3O/c3-1-5-2(4)6/h3H2,(H3,4,5,6)",75.28047,33.25053,
6230,[N:1]([C:2](=[O:3])[N:4](/[C:5](=[N:6]/[H:11])[H:10])[H:9])([H:7])[H:8],[N:1]([C:2]([O:3]/[C:5](=[N:6]/[H:11])[H:10])=[N:4][H:9])([H:7])[H:8],"InChI=1S/C2H5N3O/c3-1-5-2(4)6/h1H,(H4,3,4,5,6)","InChI=1S/C2H5N3O/c3-1-6-2(4)5/h1,3H,(H3,4,5)/b3-1+",56.27928000000001,27.11075,ketoenol
6231,[N:1]([C:2](=[O:3])[N:4](/[C:5](=[N:6]/[H:11])[H:10])[H:9])([H:7])[H:8],[N:1](=[C:2](/[O:3][H:7])[N:4](/[C:5](=[N:6]/[H:11])[H:10])[H:9])\[H:8],"InChI=1S/C2H5N3O/c3-1-5-2(4)6/h1H,(H4,3,4,5,6)","InChI=1S/C2H5N3O/c3-1-5-2(4)6/h1H,(H4,3,4,5,6)",41.86522,12.72975,ketoenol
6232,[N:1]([C:2](=[O:3])[N:4](/[C:5](=[N:6]/[H:11])[H:10])[H:9])([H:7])[H:8],[N-:4]([C+:5]([N:6]([H:8])[H:11])[H:10])[H:9].[N:1](=[C:2]=[O:3])[H:7],"InChI=1S/C2H5N3O/c3-1-5-2(4)6/h1H,(H4,3,4,5,6)","InChI=1S/CH4N2.CHNO/c2*2-1-3/h1-2H,3H2;2H",40.17768,20.14198,Retroene
6233,[N:1]([C:2](=[O:3])[N:4](/[C:5](=[N:6]/[H:11])[H:10])[H:9])([H:7])[H:8],[H:8][H:10].[N:1](=[C:2]=[O:3])[H:7].[N:4](=[C:5]=[N:6][H:11])[H:9],"InChI=1S/C2H5N3O/c3-1-5-2(4)6/h1H,(H4,3,4,5,6)",InChI=1S/CH2N2.CHNO.H2/c2*2-1-3;/h2-3H;2H;1H,71.22265,36.42484,
6234,[N:1]([C:2](=[O:3])[N:4](/[C:5](=[N:6]/[H:11])[H:10])[H:9])([H:7])[H:8],[N:1]([C-:2]=[O+:3][C:5]1([H:10])[N:4]([H:9])[N:6]1[H:11])([H:7])[H:8],"InChI=1S/C2H5N3O/c3-1-5-2(4)6/h1H,(H4,3,4,5,6)","InChI=1S/C2H5N3O/c3-1-6-2-4-5-2/h2,4-5H,3H2",119.0718,101.67029000000001,
6235,[N:1]([C:2](=[O:3])[N:4](/[C:5](=[N:6]/[H:11])[H:10])[H:9])([H:7])[H:8],[N:1]([C:2]12[O:3][C:5]([H:10])([N:4]1[H:9])[N:6]2[H:11])([H:7])[H:8],"InChI=1S/C2H5N3O/c3-1-5-2(4)6/h1H,(H4,3,4,5,6)","InChI=1S/C2H5N3O/c3-2-4-1(5-2)6-2/h1,4-5H,3H2",99.59505,93.30569,
6236,[N:1]([C:2](=[O:3])[N:4](/[C:5](=[N:6]/[H:11])[H:10])[H:9])([H:7])[H:8],[C:2](=[O:3])=[N:4][C:5](=[N:6][H:11])[H:10].[N:1]([H:7])([H:8])[H:9],"InChI=1S/C2H5N3O/c3-1-5-2(4)6/h1H,(H4,3,4,5,6)","InChI=1S/C2H2N2O.H3N/c3-1-4-2-5;/h1,3H;1H3",42.7898,22.92299,"1,3_NH3_elimination"
6237,[N:1]([C:2](=[O:3])[C:4]([C:5]#[C:6][H:11])([H:9])[H:10])([H:7])[H:8],[N:1]1([H:7])[C:2](=[O:3])[C:4]([H:9])([H:10])[C:5][C:6]1([H:8])[H:11],"InChI=1S/C4H5NO/c1-2-3-4(5)6/h1H,3H2,(H2,5,6)","InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h2-3H2,(H,5,6)",73.62843000000001,48.66167,
6238,[N:1]([C:2](=[O:3])[C:4]([C:5]#[C:6][H:11])([H:9])[H:10])([H:7])[H:8],[N:1]([C-:2]=[O+:3][C:4]([C:5]#[C:6][H:11])([H:9])[H:10])([H:7])[H:8],"InChI=1S/C4H5NO/c1-2-3-4(5)6/h1H,3H2,(H2,5,6)","InChI=1S/C4H5NO/c1-2-3-6-4-5/h1H,3,5H2",98.31059,59.020230000000005,
6239,[N:1]([C:2](=[O:3])[C:4]([C:5]#[C:6][H:11])([H:9])[H:10])([H:7])[H:8],[N:1]([C:2](=[O:3])[C:4]([C:6](=[C:5])[H:11])([H:9])[H:10])([H:7])[H:8],"InChI=1S/C4H5NO/c1-2-3-4(5)6/h1H,3H2,(H2,5,6)","InChI=1S/C4H5NO/c1-2-3-4(5)6/h2H,3H2,(H2,5,6)",57.95168,52.035709999999995,Singlet_Carbene_Intra_Disproportionation
6240,[N:1]([C:2](=[O:3])[C:4]([C:5]#[C:6][H:11])([H:9])[H:10])([H:7])[H:8],[N:1](/[C:2]([O:3][H:10])=[C:4](\[C:5]#[C:6][H:11])[H:9])([H:7])[H:8],"InChI=1S/C4H5NO/c1-2-3-4(5)6/h1H,3H2,(H2,5,6)","InChI=1S/C4H5NO/c1-2-3-4(5)6/h1,3,6H,5H2/b4-3+",53.636340000000004,12.217880000000001,ketoenol
6241,[N:1]([C:2](=[O:3])[C:4]([C:5]#[C:6][H:11])([H:9])[H:10])([H:7])[H:8],[C:4]([C:5]#[C:6][H:11])([H:8])([H:9])[H:10].[N:1](=[C:2]=[O:3])[H:7],"InChI=1S/C4H5NO/c1-2-3-4(5)6/h1H,3H2,(H2,5,6)","InChI=1S/C3H4.CHNO/c1-3-2;2-1-3/h1H,2H3;2H",70.75907,10.29342,
6242,[N:1]([C:2](=[O:3])[C:4]([C:5]#[C:6][H:11])([H:9])[H:10])([H:7])[H:8],[N:1]([C:2]([O:3][C:5]#[C:6][H:11])=[C:4]([H:9])[H:10])([H:7])[H:8],"InChI=1S/C4H5NO/c1-2-3-4(5)6/h1H,3H2,(H2,5,6)","InChI=1S/C4H5NO/c1-3-6-4(2)5/h1H,2,5H2",80.96155999999999,41.34711,ketoenol
6243,[N:1]([C:2](=[O:3])[C:4]([C:5]#[C:6][H:11])([H:9])[H:10])([H:7])[H:8],[N:1](=[C:2](/[O:3][H:8])[C:4]([C:5]#[C:6][H:11])([H:9])[H:10])\[H:7],"InChI=1S/C4H5NO/c1-2-3-4(5)6/h1H,3H2,(H2,5,6)","InChI=1S/C4H5NO/c1-2-3-4(5)6/h1H,3H2,(H2,5,6)",42.449059999999996,10.2387,ketoenol
6244,[N:1]([C:2](=[O:3])[C:4]([C:5]#[C:6][H:11])([H:9])[H:10])([H:7])[H:8],[C:4](=[C:5]=[C:6]([H:8])[H:11])([H:9])[H:10].[N:1](=[C:2]=[O:3])[H:7],"InChI=1S/C4H5NO/c1-2-3-4(5)6/h1H,3H2,(H2,5,6)",InChI=1S/C3H4.CHNO/c1-3-2;2-1-3/h1-2H2;2H,38.24041,6.601089999999999,Retroene
6245,[N:1]([C:2](=[O:3])[C:4]([C:5]#[C:6][H:11])([H:9])[H:10])([H:7])[H:8],[N:1]([C:2](=[O:3])[C:4](=[C:5]=[C:6]([H:10])[H:11])[H:9])([H:7])[H:8],"InChI=1S/C4H5NO/c1-2-3-4(5)6/h1H,3H2,(H2,5,6)","InChI=1S/C4H5NO/c1-2-3-4(5)6/h3H,1H2,(H2,5,6)",61.96594,-7.5803,
6246,[N:1]([C:2](=[O:3])[C:4]([C:5]#[C:6][H:11])([H:9])[H:10])([H:7])[H:8],[N:1]([C@:2]1([H:10])[O:3][C@:4]1([C:5]#[C:6][H:11])[H:9])([H:7])[H:8],"InChI=1S/C4H5NO/c1-2-3-4(5)6/h1H,3H2,(H2,5,6)","InChI=1S/C4H5NO/c1-2-3-4(5)6-3/h1,3-4H,5H2/t3-,4+/m0/s1",86.85535,42.45714,
6247,[N:1]([C:2](=[O:3])[C:4]([C:5]#[C:6][H:11])([H:9])[H:10])([H:7])[H:8],[N:1]([C:2](=[O:3])/[C:4](=[C:5](\[C:6][H:11])[H:10])[H:9])([H:7])[H:8],"InChI=1S/C4H5NO/c1-2-3-4(5)6/h1H,3H2,(H2,5,6)","InChI=1S/C4H5NO/c1-2-3-4(5)6/h1-3H,(H2,5,6)/b3-2-",61.99463000000001,56.42032,
6248,[N:1]([C:2](=[O:3])[C:4]([C:5]#[C:6][H:11])([H:9])[H:10])([H:7])[H:8],[N:1]1([H:8])[C:2](=[O:3])[C:4]([H:9])([H:10])[C:5]1=[C:6]([H:7])[H:11],"InChI=1S/C4H5NO/c1-2-3-4(5)6/h1H,3H2,(H2,5,6)","InChI=1S/C4H5NO/c1-3-2-4(6)5-3/h1-2H2,(H,5,6)",80.0644,-10.88517,
6249,[N:1]([C:2](=[O:3])[C:4]([C:5]#[C:6][H:11])([H:9])[H:10])([H:7])[H:8],[H:8][H:10].[N:1](=[C:2]1\[O:3][C@@:4]1([C:5]#[C:6][H:11])[H:9])\[H:7],"InChI=1S/C4H5NO/c1-2-3-4(5)6/h1H,3H2,(H2,5,6)","InChI=1S/C4H3NO.H2/c1-2-3-4(5)6-3;/h1,3,5H;1H/b5-4-;/t3-;/m1./s1",88.20648,67.41215,
6250,[O:1]=[C:2]([C:3]([O:4][C:5](=[O:6])[H:10])([H:8])[H:9])[H:7],[O:1](/[C:2](=[C:3](\[O:4][C:5](=[O:6])[H:10])[H:8])[H:7])[H:9],"InChI=1S/C3H4O3/c4-1-2-6-3-5/h1,3H,2H2",InChI=1S/C3H4O3/c4-1-2-6-3-5/h1-4H/b2-1-,44.19782,-1.08369,ketoenol
6251,[O:1]=[C:2]([C:3]([O:4][C:5](=[O:6])[H:10])([H:8])[H:9])[H:7],[H:7][H:9].[O:1]=[C:2]=[C:3]([O:4][C:5](=[O:6])[H:10])[H:8],"InChI=1S/C3H4O3/c4-1-2-6-3-5/h1,3H,2H2",InChI=1S/C3H2O3.H2/c4-1-2-6-3-5;/h2-3H;1H,69.23678000000001,29.36045,
6252,[O:1]=[C:2]([C:3]([O:4][C:5](=[O:6])[H:10])([H:8])[H:9])[H:7],[O:1]([C:2](=[C:3]([H:8])[H:9])[H:7])[C:5]([O:4][H:10])=[O:6],"InChI=1S/C3H4O3/c4-1-2-6-3-5/h1,3H,2H2","InChI=1S/C3H4O3/c1-2-6-3(4)5/h2H,1H2,(H,4,5)",96.85406,-9.85752,
6254,[O:1]=[C:2]([C:3]([O:4][C:5](=[O:6])[H:10])([H:8])[H:9])[H:7],[C-:5]#[O+:6].[H:9][H:10].[O:1]=[C:2]([C:3](=[O:4])[H:8])[H:7],"InChI=1S/C3H4O3/c4-1-2-6-3-5/h1,3H,2H2",InChI=1S/C2H2O2.CO.H2/c3-1-2-4;1-2;/h1-2H;;1H,60.83486,37.00492,
6255,[O:1]=[C:2]([C:3]([O:4][C:5](=[O:6])[H:10])([H:8])[H:9])[H:7],[O:1]([C:2](=[C:3]([H:8])[H:9])[H:7])[O:6][C:5](=[O:4])[H:10],"InChI=1S/C3H4O3/c4-1-2-6-3-5/h1,3H,2H2","InChI=1S/C3H4O3/c1-2-5-6-3-4/h2-3H,1H2",67.86288,63.279709999999994,ketoenol
6256,[O:1]=[C:2]([C:3]([O:4][C:5](=[O:6])[H:10])([H:8])[H:9])[H:7],[O:1]=[C:2]([C:3]([O+:4]=[C-:5][O:6][H:10])([H:8])[H:9])[H:7],"InChI=1S/C3H4O3/c4-1-2-6-3-5/h1,3H,2H2","InChI=1S/C3H4O3/c4-1-2-6-3-5/h1,5H,2H2",75.72174,44.56131,
6257,[O:1]=[C:2]([C:3]([O:4][C:5](=[O:6])[H:10])([H:8])[H:9])[H:7],[O:1]1[C:2]([H:7])=[C:3]([H:8])[O:4][C:5]1([O:6][H:9])[H:10],"InChI=1S/C3H4O3/c4-1-2-6-3-5/h1,3H,2H2",InChI=1S/C3H4O3/c4-3-5-1-2-6-3/h1-4H,44.02414,12.84335,
6258,[O:1]=[C:2]([C:3]([O:4][C:5](=[O:6])[H:10])([H:8])[H:9])[H:7],[O:1]=[C:2]1[C:3]([H:8])([H:9])[O:4][C@:5]1([O:6][H:7])[H:10],"InChI=1S/C3H4O3/c4-1-2-6-3-5/h1,3H,2H2","InChI=1S/C3H4O3/c4-2-1-6-3(2)5/h3,5H,1H2/t3-/m1/s1",70.53979,19.04089,
6259,[O:1]=[C:2]([C:3]([O:4][C:5](=[O:6])[H:10])([H:8])[H:9])[H:7],[C-:5]#[O+:6].[O:1]([C:2]([C:3](=[O:4])[H:8])([H:7])[H:9])[H:10],"InChI=1S/C3H4O3/c4-1-2-6-3-5/h1,3H,2H2","InChI=1S/C2H4O2.CO/c3-1-2-4;1-2/h1,4H,2H2;",51.4466,6.550680000000001,"1,2_Insertion_CO"
6260,[O:1]=[C:2]([C:3]([O:4][C:5](=[O:6])[H:10])([H:8])[H:9])[H:7],[O:1]([C@@:2]1([H:7])[C:3]([H:8])([H:9])[O:4]1)[C:5](=[O:6])[H:10],"InChI=1S/C3H4O3/c4-1-2-6-3-5/h1,3H,2H2","InChI=1S/C3H4O3/c4-2-6-3-1-5-3/h2-3H,1H2/t3-/m0/s1",52.96045,20.81035,
6261,[O:1]=[C:2]([C:3]([O:4][C:5](=[O:6])[H:10])([H:8])[H:9])[H:7],[O:1]1[C@:2]2([H:7])[C:3]([H:8])([H:9])[O:4][C@@:5]1([H:10])[O:6]2,"InChI=1S/C3H4O3/c4-1-2-6-3-5/h1,3H,2H2","InChI=1S/C3H4O3/c1-2-5-3(4-1)6-2/h2-3H,1H2/t2-,3+",58.396469999999994,44.3711,
6262,[O:1]=[C:2]([C:3]([O:4][C:5](=[O:6])[H:10])([H:8])[H:9])[H:7],[O:1]=[C:2]([O:6][C:5](=[O+:4][C-:3]([H:8])[H:9])[H:10])[H:7],"InChI=1S/C3H4O3/c4-1-2-6-3-5/h1,3H,2H2","InChI=1S/C3H4O3/c1-5-3-6-2-4/h2-3H,1H2",67.79319,59.848859999999995,
6263,[O:1]=[C:2]([C:3]([O:4][C:5](=[O:6])[H:10])([H:8])[H:9])[H:7],[C:3](=[O:4])([H:8])[H:9].[C:5](=[O:6])([H:7])[H:10].[O+:1]#[C-:2],"InChI=1S/C3H4O3/c4-1-2-6-3-5/h1,3H,2H2",InChI=1S/2CH2O.CO/c3*1-2/h2*1H2;,57.05064,32.12229,
6264,[O:1]=[C:2]([C:3]([O:4][C:5](=[O:6])[H:10])([H:8])[H:9])[H:7],[O:1]=[C:2]([C:3]([H:7])([H:8])[H:9])[O:6][C:5](=[O:4])[H:10],"InChI=1S/C3H4O3/c4-1-2-6-3-5/h1,3H,2H2","InChI=1S/C3H4O3/c1-3(5)6-2-4/h2H,1H3",56.9849,-17.50093,
6265,[O:1]=[C:2]([C:3]([O:4][C:5](=[O:6])[H:10])([H:8])[H:9])[H:7],[O:1]([C:2][C:3]([O:4][C:5](=[O:6])[H:10])([H:8])[H:9])[H:7],"InChI=1S/C3H4O3/c4-1-2-6-3-5/h1,3H,2H2","InChI=1S/C3H4O3/c4-1-2-6-3-5/h3-4H,2H2",79.21696,51.772690000000004,
6266,[O:1]=[C:2]([C:3]([O:4][C:5](=[O:6])[H:10])([H:8])[H:9])[H:7],[O+:1](=[C-:2][H:7])[C:3]([O:4][C:5](=[O:6])[H:10])([H:8])[H:9],"InChI=1S/C3H4O3/c4-1-2-6-3-5/h1,3H,2H2","InChI=1S/C3H4O3/c1-5-3-6-2-4/h1-2H,3H2",104.46528,66.9491,
6267,[C:1]([C:2]([C:3]([C:4]#[N:5])([H:11])[H:12])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([C@:2]1([H:9])[C:3]([H:11])([H:12])/[C:4]1=[N:5]/[H:10])([H:6])([H:7])[H:8],"InChI=1S/C4H7N/c1-2-3-4-5/h2-3H2,1H3","InChI=1S/C4H7N/c1-3-2-4(3)5/h3,5H,2H2,1H3/b5-4-/t3-/m1/s1",105.98118999999998,32.76213,
6268,[C:1]([C:2]([C:3]([C:4]#[N:5])([H:11])[H:12])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([C:2]([C:3]([N+:5]#[C-:4])([H:11])[H:12])([H:9])[H:10])([H:6])([H:7])[H:8],"InChI=1S/C4H7N/c1-2-3-4-5/h2-3H2,1H3","InChI=1S/C4H7N/c1-3-4-5-2/h3-4H2,1H3",59.59394,26.17621,
6269,[C:1]([C:2]([C:3]([C:4]#[N:5])([H:11])[H:12])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1](=[C:2]([H:9])[H:10])([H:6])[H:8].[C:3](=[C:4]=[N:5][H:7])([H:11])[H:12],"InChI=1S/C4H7N/c1-2-3-4-5/h2-3H2,1H3","InChI=1S/C2H3N.C2H4/c1-2-3;1-2/h3H,1H2;1-2H2",55.202090000000005,43.135909999999996,Retroene
6270,[C:1]([C:2]([C:3]([C:4]#[N:5])([H:11])[H:12])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([C:2]([C:3](=[C:4]=[N:5][H:12])[H:11])([H:9])[H:10])([H:6])([H:7])[H:8],"InChI=1S/C4H7N/c1-2-3-4-5/h2-3H2,1H3","InChI=1S/C4H7N/c1-2-3-4-5/h3,5H,2H2,1H3",82.68018000000001,20.063270000000003,
6271,[C:1]([C:2]([C:3]([C:4]#[N:5])([H:11])[H:12])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([C:2]([N:5]=[C:4]=[C:3]([H:11])[H:12])([H:9])[H:10])([H:6])([H:7])[H:8],"InChI=1S/C4H7N/c1-2-3-4-5/h2-3H2,1H3","InChI=1S/C4H7N/c1-3-5-4-2/h1,4H2,2H3",77.61119000000001,24.215120000000002,
6272,[C:1]([N:2]([C:3](=[O:4])[C:5]([H:10])([H:11])[H:12])[H:9])([H:6])([H:7])[H:8],[C:1]([O:4]/[C:3](=[N:2]/[H:9])[C:5]([H:10])([H:11])[H:12])([H:6])([H:7])[H:8],"InChI=1S/C3H7NO/c1-3(5)4-2/h1-2H3,(H,4,5)","InChI=1S/C3H7NO/c1-3(4)5-2/h4H,1-2H3/b4-3+",64.14627,15.5822,ketoenol
6273,[C:1]([N:2]([C:3](=[O:4])[C:5]([H:10])([H:11])[H:12])[H:9])([H:6])([H:7])[H:8],[C:1]([N:2]([C:3]([O:4][H:10])=[C:5]([H:11])[H:12])[H:9])([H:6])([H:7])[H:8],"InChI=1S/C3H7NO/c1-3(5)4-2/h1-2H3,(H,4,5)","InChI=1S/C3H7NO/c1-3(5)4-2/h4-5H,1H2,2H3",61.832480000000004,24.02289,ketoenol
6274,[C:1]([N:2]([C:3](=[O:4])[C:5]([H:10])([H:11])[H:12])[H:9])([H:6])([H:7])[H:8],[C-:1]([N+:2]([C:3](=[O:4])[C:5]([H:10])([H:11])[H:12])([H:6])[H:9])([H:7])[H:8],"InChI=1S/C3H7NO/c1-3(5)4-2/h1-2H3,(H,4,5)","InChI=1S/C3H7NO/c1-3(5)4-2/h2,4H2,1H3",98.75478000000001,74.70062,
6275,[C:1]([N:2]([C:3](=[O:4])[C:5]([H:10])([H:11])[H:12])[H:9])([H:6])([H:7])[H:8],[C:1](/[N:2]=[C:3](/[O:4][H:9])[C:5]([H:10])([H:11])[H:12])([H:6])([H:7])[H:8],"InChI=1S/C3H7NO/c1-3(5)4-2/h1-2H3,(H,4,5)","InChI=1S/C3H7NO/c1-3(5)4-2/h1-2H3,(H,4,5)",38.85698,10.22635,ketoenol
6276,[C:1]([N:2]([C:3](=[O:4])[C:5]([H:10])([H:11])[H:12])[H:9])([H:6])([H:7])[H:8],[C+:1]([N:2]([C:3]([O-:4])=[C:5]([H:11])[H:12])[H:9])([H:7])[H:8].[H:6][H:10],"InChI=1S/C3H7NO/c1-3(5)4-2/h1-2H3,(H,4,5)","InChI=1S/C3H5NO.H2/c1-3(5)4-2;/h4H,1-2H2;1H",78.32082,65.81051,
6277,[C:1]([N:2]([C:3](=[O:4])[C:5]([H:10])([H:11])[H:12])[H:9])([H:6])([H:7])[H:8],[C:1]([N:2]=[C:3]=[O:4])([H:6])([H:7])[H:8].[C:5]([H:9])([H:10])([H:11])[H:12],"InChI=1S/C3H7NO/c1-3(5)4-2/h1-2H3,(H,4,5)",InChI=1S/C2H3NO.CH4/c1-3-2-4;/h1H3;1H4,71.74998000000001,8.53556,
6278,[C:1]([N:2]([C:3](=[O:4])[C:5]([H:10])([H:11])[H:12])[H:9])([H:6])([H:7])[H:8],[C-:3]#[O+:4].[C:1]([N:2]([C:5]([H:10])([H:11])[H:12])[H:9])([H:6])([H:7])[H:8],"InChI=1S/C3H7NO/c1-3(5)4-2/h1-2H3,(H,4,5)","InChI=1S/C2H7N.CO/c1-3-2;1-2/h3H,1-2H3;",96.8149,26.954959999999996,"1,2_Insertion_CO"
6279,[C:1]([N:2]([C:3](=[O:4])[C:5]([H:10])([H:11])[H:12])[H:9])([H:6])([H:7])[H:8],[C:1](=[N:2][H:9])([H:7])[H:8].[C:3](=[O:4])([C:5]([H:10])([H:11])[H:12])[H:6],"InChI=1S/C3H7NO/c1-3(5)4-2/h1-2H3,(H,4,5)","InChI=1S/C2H4O.CH3N/c1-2-3;1-2/h2H,1H3;2H,1H2",96.16821,37.36537,
6280,[C:1]([c:2]1[c:3]([H:10])[o:4][n:5][c:6]1[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]1[C:3]([H:9])([H:10])[O:4][N:5]=[C:6]1[H:11])([H:7])[H:8],"InChI=1S/C4H5NO/c1-4-2-5-6-3-4/h2-3H,1H3","InChI=1S/C4H5NO/c1-4-2-5-6-3-4/h2H,1,3H2",90.21483,19.5925,
6281,[C:1]([c:2]1[c:3]([H:10])[o:4][n:5][c:6]1[H:11])([H:7])([H:8])[H:9],[C:1]([C@@:2]([C:3](=[O:4])[H:10])([C:6]#[N:5])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-4-2-5-6-3-4/h2-3H,1H3","InChI=1S/C4H5NO/c1-4(2-5)3-6/h3-4H,1H3/t4-/m1/s1",52.34254,-15.974179999999999,
6282,[C:1]([c:2]1[c:3]([H:10])[o:4][n:5][c:6]1[H:11])([H:7])([H:8])[H:9],[C:1]([C:3](=[C:2]=[C:6]([N:5]=[O:4])[H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-4-2-5-6-3-4/h2-3H,1H3","InChI=1S/C4H5NO/c1-2-3-4-5-6/h2,4H,1H3",84.74304000000001,56.610440000000004,
6283,[C:1]([c:2]1[c:3]([H:10])[o:4][n:5][c:6]1[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]1=[C:3]([H:10])[O:4]/[C:6]1=[N:5]/[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-4-2-5-6-3-4/h2-3H,1H3","InChI=1S/C4H5NO/c1-3-2-6-4(3)5/h2,5H,1H3/b5-4+",50.91997,11.31145,
6284,[C:1]([c:2]1[c:3]([H:10])[o:4][n:5][c:6]1[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3](=[O:4])[H:10])=[C:6]=[N:5][H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-4-2-5-6-3-4/h2-3H,1H3","InChI=1S/C4H5NO/c1-4(2-5)3-6/h3,5H,1H3",50.927609999999994,-7.697360000000001,
6285,[C:1]([c:2]1[c:3]([H:10])[o:4][n:5][c:6]1[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]1[C:3]([H:10])=[O+:4][N-:5][C:6]1([H:9])[H:11])([H:7])[H:8],"InChI=1S/C4H5NO/c1-4-2-5-6-3-4/h2-3H,1H3","InChI=1S/C4H5NO/c1-4-2-5-6-3-4/h3H,1-2H2",104.46242,53.61601999999999,
6286,[C:1]([c:2]1[c:3]([H:10])[o:4][n:5][c:6]1[H:11])([H:7])([H:8])[H:9],[C:1](/[C:2](=[C:3](/[O:4][N+:5]#[C-:6])[H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-4-2-5-6-3-4/h2-3H,1H3","InChI=1S/C4H5NO/c1-3-4-6-5-2/h3-4H,1H3/b4-3+",89.16171999999999,64.76561,
6287,[C:1]([c:2]1[c:3]([H:10])[o:4][n:5][c:6]1[H:11])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([C:3](=[O:4])[H:10])[N:5]=[C:6]1[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-4-2-5-6-3-4/h2-3H,1H3","InChI=1S/C4H5NO/c1-4(3-6)2-5-4/h2-3H,1H3/t4-/m1/s1",47.64846,18.241120000000002,ketoenol
6288,[C:1]([c:2]1[c:3]([H:10])[o:4][n:5][c:6]1[H:11])([H:7])([H:8])[H:9],[C:1]([C@:2]([C:3]#[O+:4])([C:6](=[N-:5])[H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-4-2-5-6-3-4/h2-3H,1H3","InChI=1S/C4H5NO/c1-4(2-5)3-6/h2,4H,1H3/t4-/m0/s1",65.81769,23.21966,
6289,[C:1]([c:2]1[c:3]([H:10])[o:4][n:5][c:6]1[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]#[C:3][H:10])([H:7])([H:8])[H:9].[O-:4][N+:5]#[C:6][H:11],"InChI=1S/C4H5NO/c1-4-2-5-6-3-4/h2-3H,1H3","InChI=1S/C3H4.CHNO/c1-3-2;1-2-3/h1H,2H3;1H",79.15509,71.76756999999999,
6290,[C:1]([N:2]([C:3]([H:10])([H:11])[H:12])[C:4](=[O:5])[C:6]([H:13])([H:14])[H:15])([H:7])([H:8])[H:9],[C:1]([N:2]([C:3]([H:10])([H:11])[H:12])[C:4]([O:5][H:15])=[C:6]([H:13])[H:14])([H:7])([H:8])[H:9],InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3,"InChI=1S/C4H9NO/c1-4(6)5(2)3/h6H,1H2,2-3H3",59.40634,22.073220000000003,ketoenol
6291,[C:1]([N:2]([C:3]([H:10])([H:11])[H:12])[C:4](=[O:5])[C:6]([H:13])([H:14])[H:15])([H:7])([H:8])[H:9],[C:1]([O:5]/[C:4](=[N:2]/[C:3]([H:10])([H:11])[H:12])[C:6]([H:13])([H:14])[H:15])([H:7])([H:8])[H:9],InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3,InChI=1S/C4H9NO/c1-4(5-2)6-3/h1-3H3/b5-4+,60.82305,15.468160000000001,ketoenol
6292,[C:1]([N:2]([C:3]([H:10])([H:11])[H:12])[C:4](=[O:5])[C:6]([H:13])([H:14])[H:15])([H:7])([H:8])[H:9],[C:1]([N+:2](=[C:3]([H:10])[H:11])[C:4]([O-:5])=[C:6]([H:13])[H:14])([H:7])([H:8])[H:9].[H:12][H:15],InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3,"InChI=1S/C4H7NO.H2/c1-4(6)5(2)3;/h1-2H2,3H3;1H",75.57892,60.819480000000006,
6293,[C:1]([N:2]([C:3]([H:10])([H:11])[H:12])[C:4](=[O:5])[C:6]([H:13])([H:14])[H:15])([H:7])([H:8])[H:9],[C:1](=[N:2][C:3]([H:10])([H:11])[H:12])([H:7])[H:9].[C:4](=[O:5])([C:6]([H:13])([H:14])[H:15])[H:8],InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3,"InChI=1S/C2H5N.C2H4O/c1-3-2;1-2-3/h1H2,2H3;2H,1H3",80.88123,33.5666,
6294,[C:1]([N:2]([C:3]([H:10])([H:11])[H:12])[C:4](=[O:5])[C:6]([H:13])([H:14])[H:15])([H:7])([H:8])[H:9],[C:1]([N:2]([C:3]([H:10])([H:11])[H:12])[C@:4]1([H:15])[O:5][C:6]1([H:13])[H:14])([H:7])([H:8])[H:9],InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3,"InChI=1S/C4H9NO/c1-5(2)4-3-6-4/h4H,3H2,1-2H3/t4-/m1/s1",97.4675,44.809979999999996,
6295,[C:1]([C:2]([C:3]([C@@:4]([C:5]([H:15])([H:16])[H:17])([O:6][H:18])[H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([C:4](=[O:6])[H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9].[C:5]([H:15])([H:16])([H:17])[H:18],"InChI=1S/C5H12O/c1-3-4-5(2)6/h5-6H,3-4H2,1-2H3/t5-/m1/s1","InChI=1S/C4H8O.CH4/c1-2-3-4-5;/h4H,2-3H2,1H3;1H4",76.03095,7.37696,
6296,[C:1]([C:2]([C:3]([C@@:4]([C:5]([H:15])([H:16])[H:17])([O:6][H:18])[H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([C:4][O:6][H:18])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9].[C:5]([H:14])([H:15])([H:16])[H:17],"InChI=1S/C5H12O/c1-3-4-5(2)6/h5-6H,3-4H2,1-2H3/t5-/m1/s1","InChI=1S/C4H8O.CH4/c1-2-3-4-5;/h5H,2-3H2,1H3;1H4",71.68456,62.909780000000005,
6297,[C:1]([C:2]([C:3]([C@@:4]([C:5]([H:15])([H:16])[H:17])([O:6][H:18])[H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9].[C:4]([C:5]([H:15])([H:16])[H:17])[O:6][H:18],"InChI=1S/C5H12O/c1-3-4-5(2)6/h5-6H,3-4H2,1-2H3/t5-/m1/s1","InChI=1S/C3H8.C2H4O/c1-3-2;1-2-3/h3H2,1-2H3;3H,1H3",69.39718,64.60619,
6298,[O:1]=[c:2]1[n:3]([H:7])[c:4]([H:8])[c:5]([H:9])[n:6]1[H:10],[O:1]=[C:2]1[N+:3]([H:7])([H:8])[C-:4]=[C:5]([H:9])[N:6]1[H:10],"InChI=1S/C3H4N2O/c6-3-4-1-2-5-3/h1-2H,(H2,4,5,6)","InChI=1S/C3H4N2O/c6-3-4-1-2-5-3/h1H,5H2,(H,4,6)",84.95884000000001,71.06787,
6299,[O:1]=[c:2]1[n:3]([H:7])[c:4]([H:8])[c:5]([H:9])[n:6]1[H:10],[N:3](=[C:4]=[C:5]([H:8])[H:9])[H:7].[O:1]=[C:2]=[N:6][H:10],"InChI=1S/C3H4N2O/c6-3-4-1-2-5-3/h1-2H,(H2,4,5,6)","InChI=1S/C2H3N.CHNO/c1-2-3;2-1-3/h3H,1H2;2H",92.20392,31.69186,
6300,[O:1]=[c:2]1[n:3]([H:7])[c:4]([H:8])[c:5]([H:9])[n:6]1[H:10],[O:1]([c:2]1[n:3]([H:7])[c:4]([H:8])[c:5]([H:9])[n:6]1)[H:10],"InChI=1S/C3H4N2O/c6-3-4-1-2-5-3/h1-2H,(H2,4,5,6)","InChI=1S/C3H4N2O/c6-3-4-1-2-5-3/h1-2H,(H2,4,5,6)",47.90152,7.55582,ketoenol
6301,[O:1]=[c:2]1[n:3]([H:7])[c:4]([H:8])[c:5]([H:9])[n:6]1[H:10],[N:3](=[C:4]([C:5](=[N:6]/[H:10])/[H:9])\[H:8])\[H:7].[O+:1]#[C-:2],"InChI=1S/C3H4N2O/c6-3-4-1-2-5-3/h1-2H,(H2,4,5,6)","InChI=1S/C2H4N2.CO/c3-1-2-4;1-2/h1-4H;/b3-1+,4-2+;",59.48261,42.51037,
6302,[O:1]=[c:2]1[n:3]([H:7])[c:4]([H:8])[c:5]([H:9])[n:6]1[H:10],[O:1]=[C:2](/[N:3]=[C:4]([C:5](=[N:6]\[H:10])\[H:9])/[H:8])[H:7],"InChI=1S/C3H4N2O/c6-3-4-1-2-5-3/h1-2H,(H2,4,5,6)","InChI=1S/C3H4N2O/c4-1-2-5-3-6/h1-4H/b4-1+,5-2-",64.25369,36.20908,
6303,[O:1]=[c:2]1[n:3]([H:7])[c:4]([H:8])[c:5]([H:9])[n:6]1[H:10],[O:1]=[C:2]1[N+:3]([H:7])=[C-:4][C:5]([H:8])([H:9])[N:6]1[H:10],"InChI=1S/C3H4N2O/c6-3-4-1-2-5-3/h1-2H,(H2,4,5,6)","InChI=1S/C3H4N2O/c6-3-4-1-2-5-3/h5H,1H2,(H,4,6)",55.75434,39.99991,Singlet_Carbene_Intra_Disproportionation
6304,[O:1]=[C:2]1[O:3][C@@:4]2([H:7])[C:5]([H:8])([H:9])[C@@:6]12[H:10],[O:1]=[C:2]1[O+:3]=[C-:4][C:5]([H:8])([H:9])[C:6]1([H:7])[H:10],"InChI=1S/C4H4O2/c5-4-2-1-3(2)6-4/h2-3H,1H2/t2-,3+/m1/s1",InChI=1S/C4H4O2/c5-4-2-1-3-6-4/h1-2H2,51.581,16.64027,
6305,[O:1]=[C:2]1[O:3][C@@:4]2([H:7])[C:5]([H:8])([H:9])[C@@:6]12[H:10],[O-:1][C:2]1=[C+:6][C:5]([H:8])([H:9])[C:4]([H:7])([H:10])[O:3]1,"InChI=1S/C4H4O2/c5-4-2-1-3(2)6-4/h2-3H,1H2/t2-,3+/m1/s1","InChI=1S/C4H4O2/c5-4-2-1-3-6-4/h1,3H2",62.70166,49.53812,
6306,[O:1]=[C:2]1[O:3][C@@:4]2([H:7])[C:5]([H:8])([H:9])[C@@:6]12[H:10],[O+:1]#[C-:2].[O:3]=[C:4]([C:6](=[C:5]([H:8])[H:9])[H:10])[H:7],"InChI=1S/C4H4O2/c5-4-2-1-3(2)6-4/h2-3H,1H2/t2-,3+/m1/s1","InChI=1S/C3H4O.CO/c1-2-3-4;1-2/h2-3H,1H2;",43.36674,-11.20178,
6307,[O:1]=[C:2]1[O:3][C@@:4]2([H:7])[C:5]([H:8])([H:9])[C@@:6]12[H:10],[O:1]=[C:2]=[C:6]([C:5]([C:4](=[O:3])[H:7])([H:8])[H:9])[H:10],"InChI=1S/C4H4O2/c5-4-2-1-3(2)6-4/h2-3H,1H2/t2-,3+/m1/s1","InChI=1S/C4H4O2/c5-3-1-2-4-6/h1,4H,2H2",17.29715,-14.46846,
6308,[O:1]=[C:2]1[O:3][C@@:4]2([H:7])[C:5]([H:8])([H:9])[C@@:6]12[H:10],[O:1]=[C:2]=[C:6]([C@@:4]1([H:7])[O:3][C:5]1([H:8])[H:9])[H:10],"InChI=1S/C4H4O2/c5-4-2-1-3(2)6-4/h2-3H,1H2/t2-,3+/m1/s1","InChI=1S/C4H4O2/c5-2-1-4-3-6-4/h1,4H,3H2/t4-/m1/s1",64.28134,10.342789999999999,
6309,[O:1]=[C:2]1[O:3][C@@:4]2([H:7])[C:5]([H:8])([H:9])[C@@:6]12[H:10],[O:1]([C:2]1=[C:6]2[C@@:4]([H:7])([O:3]1)[C:5]2([H:8])[H:9])[H:10],"InChI=1S/C4H4O2/c5-4-2-1-3(2)6-4/h2-3H,1H2/t2-,3+/m1/s1","InChI=1S/C4H4O2/c5-4-2-1-3(2)6-4/h3,5H,1H2/t3-/m0/s1",85.81023,57.28585,ketoenol
6310,[O:1]=[C:2]1[O:3][C@@:4]2([H:7])[C:5]([H:8])([H:9])[C@@:6]12[H:10],[C:4]1([H:7])=[C:6]([H:10])[C:5]1([H:8])[H:9].[O:1]=[C:2]=[O:3],"InChI=1S/C4H4O2/c5-4-2-1-3(2)6-4/h2-3H,1H2/t2-,3+/m1/s1","InChI=1S/C3H4.CO2/c1-2-3-1;2-1-3/h1-2H,3H2;",39.16992,0.81092,2+2_cycloaddition
6311,[O:1]=[C:2]1[O:3][C@@:4]2([H:7])[C:5]([H:8])([H:9])[C@@:6]12[H:10],[O:1]=[C:2]1[O:3][C:4]([H:7])([H:9])[C@:6]1([C:5][H:8])[H:10],"InChI=1S/C4H4O2/c5-4-2-1-3(2)6-4/h2-3H,1H2/t2-,3+/m1/s1","InChI=1S/C4H4O2/c1-3-2-6-4(3)5/h1,3H,2H2/t3-/m1/s1",69.13485,71.34884,
6312,[O:1]=[C:2]1[O:3][C@@:4]2([H:7])[C:5]([H:8])([H:9])[C@@:6]12[H:10],[O:1]=[C:2]1[O+:3]=[C-:4][C@:6]1([C:5]([H:7])([H:8])[H:9])[H:10],"InChI=1S/C4H4O2/c5-4-2-1-3(2)6-4/h2-3H,1H2/t2-,3+/m1/s1","InChI=1S/C4H4O2/c1-3-2-6-4(3)5/h3H,1H3/t3-/m1/s1",51.33171,33.854409999999994,
6313,[O:1]=[C:2]1[O:3][C@@:4]2([H:7])[C:5]([H:8])([H:9])[C@@:6]12[H:10],[O:1]=[C:2](/[C:6](=[C:5](\[C:4](=[O:3])[H:7])[H:8])[H:10])[H:9],"InChI=1S/C4H4O2/c5-4-2-1-3(2)6-4/h2-3H,1H2/t2-,3+/m1/s1",InChI=1S/C4H4O2/c5-3-1-2-4-6/h1-4H/b2-1-,99.61679000000001,-10.9989,
6314,[O:1]=[C:2]1[O:3][C@@:4]2([H:7])[C:5]([H:8])([H:9])[C@@:6]12[H:10],[O-:1][C:6](=[C:2]=[O+:3][C:4](=[C:5]([H:8])[H:9])[H:7])[H:10],"InChI=1S/C4H4O2/c5-4-2-1-3(2)6-4/h2-3H,1H2/t2-,3+/m1/s1","InChI=1S/C4H4O2/c1-2-6-4-3-5/h2-3H,1H2",83.28053,52.26611,
6315,[O:1]=[C:2]1[O:3][C@@:4]2([H:7])[C:5]([H:8])([H:9])[C@@:6]12[H:10],[O:1]=[C:2]1[O:3][C@:4]([C:5][H:8])([H:7])[C:6]1([H:9])[H:10],"InChI=1S/C4H4O2/c5-4-2-1-3(2)6-4/h2-3H,1H2/t2-,3+/m1/s1","InChI=1S/C4H4O2/c1-3-2-4(5)6-3/h1,3H,2H2/t3-/m0/s1",61.53949,63.156940000000006,
6316,[C:1]([O:2][C@@:3]([C:4]([H:11])([H:12])[H:13])([C:5]#[N:6])[H:10])([H:7])([H:8])[H:9],[C:1]([O+:2]=[C:3]=[C:5]=[N-:6])([H:7])([H:8])[H:9].[C:4]([H:10])([H:11])([H:12])[H:13],"InChI=1S/C4H7NO/c1-4(3-5)6-2/h4H,1-2H3/t4-/m0/s1",InChI=1S/C3H3NO.CH4/c1-5-3-2-4;/h1H3;1H4,68.45124,54.141119999999994,
6317,[C:1]([O:2][C@@:3]([C:4]([H:11])([H:12])[H:13])([C:5]#[N:6])[H:10])([H:7])([H:8])[H:9],[C:1]([N+:6]#[C-:5])([H:7])([H:8])[H:9].[O:2]=[C:3]([C:4]([H:11])([H:12])[H:13])[H:10],"InChI=1S/C4H7NO/c1-4(3-5)6-2/h4H,1-2H3/t4-/m0/s1","InChI=1S/C2H3N.C2H4O/c1-3-2;1-2-3/h1H3;2H,1H3",86.09125,23.67509,
6318,[C:1]([O:2][C@@:3]([C:4]([H:11])([H:12])[H:13])([C:5]#[N:6])[H:10])([H:7])([H:8])[H:9],[C:1](=[O+:2][C:3]([C:4]([H:11])([H:12])[H:13])=[C:5]=[N-:6])([H:7])[H:9].[H:8][H:10],"InChI=1S/C4H7NO/c1-4(3-5)6-2/h4H,1-2H3/t4-/m0/s1","InChI=1S/C4H5NO.H2/c1-4(3-5)6-2;/h2H2,1H3;1H",60.85338,56.64605,
6319,[C:1]([O:2][C@@:3]([C:4]([H:11])([H:12])[H:13])([C:5]#[N:6])[H:10])([H:7])([H:8])[H:9],[C:1]([O:2][N:6]=[C:5]=[C:3]([C:4]([H:11])([H:12])[H:13])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4(3-5)6-2/h4H,1-2H3/t4-/m0/s1","InChI=1S/C4H7NO/c1-3-4-5-6-2/h3H,1-2H3",74.16764,48.50155,
6320,[C:1]([O:2][C@@:3]([C:4]([H:11])([H:12])[H:13])([C:5]#[N:6])[H:10])([H:7])([H:8])[H:9],[C:1]([O:2][C@@:3]([C:4]([H:11])([H:12])[H:13])([N+:6]#[C-:5])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4(3-5)6-2/h4H,1-2H3/t4-/m0/s1","InChI=1S/C4H7NO/c1-4(5-2)6-3/h4H,1,3H3/t4-/m0/s1",49.7977,21.29506,
6321,[C:1]([O:2][C@@:3]([C:4]([H:11])([H:12])[H:13])([C:5]#[N:6])[H:10])([H:7])([H:8])[H:9],[C:1]1([H:7])([H:9])[O:2][C@:3]([C:4]([H:11])([H:12])[H:13])([H:10])[C:5][N:6]1[H:8],"InChI=1S/C4H7NO/c1-4(3-5)6-2/h4H,1-2H3/t4-/m0/s1","InChI=1S/C4H7NO/c1-4-2-5-3-6-4/h4-5H,3H2,1H3/t4-/m0/s1",69.91594,36.56476,
6322,[C:1]([O:2][C@@:3]([C:4]([H:11])([H:12])[H:13])([C:5]#[N:6])[H:10])([H:7])([H:8])[H:9],[C:1]([O:2][C:3]([C:4]([H:11])([H:12])[H:13])=[C:5]=[N:6][H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4(3-5)6-2/h4H,1-2H3/t4-/m0/s1","InChI=1S/C4H7NO/c1-4(3-5)6-2/h5H,1-2H3",85.78255,19.808310000000002,
6323,[C:1]([O:2][C@@:3]([C:4]([H:11])([H:12])[H:13])([C:5]#[N:6])[H:10])([H:7])([H:8])[H:9],[C:1](=[O:2])([H:7])[H:9].[C:3]([C:4]([H:11])([H:12])[H:13])(=[C:5]=[N:6][H:8])[H:10],"InChI=1S/C4H7NO/c1-4(3-5)6-2/h4H,1-2H3/t4-/m0/s1","InChI=1S/C3H5N.CH2O/c1-2-3-4;1-2/h2,4H,1H3;1H2",44.1103,24.79782,Retroene
6324,[C:1]([O:2][C@@:3]([C:4]([H:11])([H:12])[H:13])([C:5]#[N:6])[H:10])([H:7])([H:8])[H:9],[C:1]([O:2][C:3]([C:5]#[N:6])([H:8])[H:10])([H:7])[H:9].[C:4]([H:11])([H:12])[H:13],"InChI=1S/C4H7NO/c1-4(3-5)6-2/h4H,1-2H3/t4-/m0/s1","InChI=1S/C3H4NO.CH3/c1-5-3-2-4;/h1,3H2;1H3",119.25254,93.19306999999999,
6325,[C:1]([O:2][C@@:3]([C:4]([H:11])([H:12])[H:13])([C:5]#[N:6])[H:10])([H:7])([H:8])[H:9],[C:1]([O:2][C:5]1=[N:6][C@@:3]1([C:4]([H:11])([H:12])[H:13])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-4(3-5)6-2/h4H,1-2H3/t4-/m0/s1","InChI=1S/C4H7NO/c1-3-4(5-3)6-2/h3H,1-2H3/t3-/m1/s1",70.59863,27.064320000000002,
6326,[C:1]([O:2][C@@:3]([C:4]([H:11])([H:12])[H:13])([C:5]#[N:6])[H:10])([H:7])([H:8])[H:9],[C:1]([O+:2]=[C-:3][H:10])([H:7])([H:8])[H:9].[C:4]([C:5]#[N:6])([H:11])([H:12])[H:13],"InChI=1S/C4H7NO/c1-4(3-5)6-2/h4H,1-2H3/t4-/m0/s1","InChI=1S/C2H3N.C2H4O/c1-2-3;1-3-2/h1H3;1H,2H3",73.7363,66.63278000000001,
6327,[C:1]([O:2][C@@:3]([C:4]([H:11])([H:12])[H:13])([C:5]#[N:6])[H:10])([H:7])([H:8])[H:9],[C-:1]([O+:2]=[C:3]([C:4]([H:11])([H:12])[H:13])[H:10])([H:7])[H:9].[C:5](#[N:6])[H:8],"InChI=1S/C4H7NO/c1-4(3-5)6-2/h4H,1-2H3/t4-/m0/s1","InChI=1S/C3H6O.CHN/c1-3-4-2;1-2/h3H,2H2,1H3;1H",59.10293000000001,69.48048,
6328,[C:1]([C@@:2]1([H:10])[N:3]([H:11])[C:4]([H:12])([H:13])[C:5]1=[O:6])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[N:3]([H:11])[C:4]([H:12])=[C:5]1[O:6][H:13])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-3-4(6)2-5-3/h3,5H,2H2,1H3/t3-/m1/s1","InChI=1S/C4H7NO/c1-3-4(6)2-5-3/h2-3,5-6H,1H3/t3-/m1/s1",79.23288000000001,15.31129,ketoenol
6329,[C:1]([C@@:2]1([H:10])[N:3]([H:11])[C:4]([H:12])([H:13])[C:5]1=[O:6])([H:7])([H:8])[H:9],[C:1]([C:2]1=[C:5]([O-:6])[C:4]([H:12])([H:13])[N+:3]1([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-3-4(6)2-5-3/h3,5H,2H2,1H3/t3-/m1/s1","InChI=1S/C4H7NO/c1-3-4(6)2-5-3/h5-6H,2H2,1H3",56.531909999999996,24.28523,
6330,[C:1]([C@@:2]1([H:10])[N:3]([H:11])[C:4]([H:12])([H:13])[C:5]1=[O:6])([H:7])([H:8])[H:9],[C-:5]#[O+:6].[C:1]([C+:2]([N:3]([C-:4]([H:12])[H:13])[H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-3-4(6)2-5-3/h3,5H,2H2,1H3/t3-/m1/s1","InChI=1S/C3H7N.CO/c1-3-4-2;1-2/h3-4H,2H2,1H3;",30.401759999999996,26.76956,
6331,[C:1]([C@@:2]1([H:10])[N:3]([H:11])[C:4]([H:12])([H:13])[C:5]1=[O:6])([H:7])([H:8])[H:9],[C:1]([C@@:2]([N:3]([C:4][H:12])[H:11])([C:5](=[O:6])[H:13])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-3-4(6)2-5-3/h3,5H,2H2,1H3/t3-/m1/s1","InChI=1S/C4H7NO/c1-4(3-6)5-2/h2-5H,1H3/t4-/m1/s1",45.02087,39.14913,
6332,[C:1]([C@@:2]1([H:10])[N:3]([H:11])[C:4]([H:12])([H:13])[C:5]1=[O:6])([H:7])([H:8])[H:9],[C:1]([C:2][N:3]([C:4]([C:5](=[O:6])[H:10])([H:12])[H:13])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-3-4(6)2-5-3/h3,5H,2H2,1H3/t3-/m1/s1","InChI=1S/C4H7NO/c1-2-5-3-4-6/h4-5H,3H2,1H3",40.78759,34.87005,
6333,[C:1]([C@@:2]1([H:10])[N:3]([H:11])[C:4]([H:12])([H:13])[C:5]1=[O:6])([H:7])([H:8])[H:9],[C:1]([C:2]([N:3]([C+:4]([H:12])[H:13])[H:11])=[C:5]([O-:6])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-3-4(6)2-5-3/h3,5H,2H2,1H3/t3-/m1/s1","InChI=1S/C4H7NO/c1-4(3-6)5-2/h3,5H,2H2,1H3",40.78796,10.692110000000001,
6334,[C:1]([C@@:2]1([H:10])[N:3]([H:11])[C:4]([H:12])([H:13])[C:5]1=[O:6])([H:7])([H:8])[H:9],[C:1](=[C:2]([N:3]([C:4]([C:5](=[O:6])[H:8])([H:12])[H:13])[H:11])[H:10])([H:7])[H:9],"InChI=1S/C4H7NO/c1-3-4(6)2-5-3/h3,5H,2H2,1H3/t3-/m1/s1","InChI=1S/C4H7NO/c1-2-5-3-4-6/h2,4-5H,1,3H2",70.78754,-0.57787,
6335,[C:1]([C@@:2]1([H:10])[N:3]([H:11])[C:4]([H:12])([H:13])[C:5]1=[O:6])([H:7])([H:8])[H:9],[C:1]([C:5]([C:4]([N:3]([C:2][H:10])[H:11])([H:12])[H:13])=[O:6])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-3-4(6)2-5-3/h3,5H,2H2,1H3/t3-/m1/s1","InChI=1S/C4H7NO/c1-4(6)3-5-2/h2,5H,3H2,1H3",52.08045,37.333259999999996,
6336,[C:1]([C@@:2]1([H:10])[N:3]([H:11])[C:4]([H:12])([H:13])[C:5]1=[O:6])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:5]=[O:6])[H:10])([H:7])([H:8])[H:9].[N:3](=[C:4]([H:12])[H:13])[H:11],"InChI=1S/C4H7NO/c1-3-4(6)2-5-3/h3,5H,2H2,1H3/t3-/m1/s1","InChI=1S/C3H4O.CH3N/c1-2-3-4;1-2/h2H,1H3;2H,1H2",40.97037,12.23971,
6337,[C:1]([C@@:2]1([H:10])[N:3]([H:11])[C:4]([H:12])([H:13])[C:5]1=[O:6])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[N+:3]2([H:11])[C:4]([H:12])([H:13])[C-:5]1[O:6]2)([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-3-4(6)2-5-3/h3,5H,2H2,1H3/t3-/m1/s1","InChI=1S/C4H6NO/c1-3-4-2-5(3)6-4/h3H,2H2,1H3/q-1/p+1/t3-/m1/s1",136.44945,137.32035,
6338,[C:1]([C@@:2]1([H:10])[N:3]([H:11])[C:4]([H:12])([H:13])[C:5]1=[O:6])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[N+:3]([H:11])([H:12])[C:4]([H:13])=[C:5]1[O-:6])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-3-4(6)2-5-3/h3,5H,2H2,1H3/t3-/m1/s1","InChI=1S/C4H7NO/c1-3-4(6)2-5-3/h2-3,5-6H,1H3/t3-/m1/s1",57.29918000000001,24.104470000000003,
6339,[C:1]([C@@:2]1([H:10])[N:3]([H:11])[C:4]([H:12])([H:13])[C:5]1=[O:6])([H:7])([H:8])[H:9],[C:1](/[C:2](=[N:3]/[H:11])[H:10])([H:7])([H:8])[H:9].[C:4](=[C:5]=[O:6])([H:12])[H:13],"InChI=1S/C4H7NO/c1-3-4(6)2-5-3/h3,5H,2H2,1H3/t3-/m1/s1","InChI=1S/C2H5N.C2H2O/c2*1-2-3/h2-3H,1H3;1H2/b3-2+;",43.99982,5.26285,
6340,[C:1]([C@@:2]1([H:10])[N:3]([H:11])[C:4]([H:12])([H:13])[C:5]1=[O:6])([H:7])([H:8])[H:9],[C:1]([C+:2]1[N:3]([H:11])[C:4]([H:12])=[C:5]1[O-:6])([H:7])([H:8])[H:9].[H:10][H:13],"InChI=1S/C4H7NO/c1-3-4(6)2-5-3/h3,5H,2H2,1H3/t3-/m1/s1","InChI=1S/C4H5NO.H2/c1-3-4(6)2-5-3;/h2,5H,1H3;1H",70.48711999999999,60.44099,
6341,[C:1]([C@@:2]1([H:10])[N:3]([H:11])[C:4]([H:12])([H:13])[C:5]1=[O:6])([H:7])([H:8])[H:9],[C:1]([N+:3]1([H:11])[C:2]([H:10])=[C:5]([O-:6])[C:4]1([H:12])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-3-4(6)2-5-3/h3,5H,2H2,1H3/t3-/m1/s1","InChI=1S/C4H7NO/c1-5-2-4(6)3-5/h2,6H,3H2,1H3",88.2506,31.922259999999998,
6342,[C:1]([C@@:2]1([H:10])[N:3]([H:11])[C:4]([H:12])([H:13])[C:5]1=[O:6])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[N:3]([H:11])[C+:4]([H:12])[C@:5]1([O-:6])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-3-4(6)2-5-3/h3,5H,2H2,1H3/t3-/m1/s1","InChI=1S/C4H7NO/c1-3-4(6)2-5-3/h2-5H,1H3/t3-,4-/m1/s1",45.01952,47.85524,
6343,[C:1]([C:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])([H:16])[C:6]1([H:17])[H:18])([H:7])([H:8])[H:9],[C:1]([C@:2]1([H:10])[C:3]([H:11])=[C:4]([H:13])[C:5]([H:15])([H:16])[C:6]1([H:17])[H:18])([H:7])([H:8])[H:9].[H:12][H:14],"InChI=1S/C6H12/c1-6-4-2-3-5-6/h6H,2-5H2,1H3","InChI=1S/C6H10.H2/c1-6-4-2-3-5-6;/h2,4,6H,3,5H2,1H3;1H/t6-;/m1./s1",107.90191999999999,27.13862,
6344,[C:1]([C:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])([H:16])[C:6]1([H:17])[H:18])([H:7])([H:8])[H:9],[C:1]([C:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:14])=[C:5]([H:15])[C:6]1([H:17])[H:18])([H:7])([H:8])[H:9].[H:13][H:16],"InChI=1S/C6H12/c1-6-4-2-3-5-6/h6H,2-5H2,1H3","InChI=1S/C6H10.H2/c1-6-4-2-3-5-6;/h2-3,6H,4-5H2,1H3;1H",109.12478999999999,27.159240000000004,
6345,[C:1]([C:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])([H:16])[C:6]1([H:17])[H:18])([H:7])([H:8])[H:9],[C:1]([C@:2]1([H:10])[C@:5]([C:4]([C:3]([H:11])([H:12])[H:16])([H:13])[H:14])([H:15])[C:6]1([H:17])[H:18])([H:7])([H:8])[H:9],"InChI=1S/C6H12/c1-6-4-2-3-5-6/h6H,2-5H2,1H3","InChI=1S/C6H12/c1-3-6-4-5(6)2/h5-6H,3-4H2,1-2H3/t5-,6-/m0/s1",114.02668999999999,18.45409,
6346,[C:1]([C:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])([H:16])[C:6]1([H:17])[H:18])([H:7])([H:8])[H:9],[C:1]([C:2]1=[C:6]([H:18])[C:5]([H:15])([H:16])[C:4]([H:13])([H:14])[C:3]1([H:11])[H:12])([H:7])([H:8])[H:9].[H:10][H:17],"InChI=1S/C6H12/c1-6-4-2-3-5-6/h6H,2-5H2,1H3","InChI=1S/C6H10.H2/c1-6-4-2-3-5-6;/h4H,2-3,5H2,1H3;1H",109.2631,23.9909,
6347,[C:1]([C:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])([H:16])[C:6]1([H:17])[H:18])([H:7])([H:8])[H:9],[C:1](=[C:2]1[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C:5]([H:10])([H:15])[C:6]1([H:17])[H:18])([H:8])[H:9].[H:7][H:16],"InChI=1S/C6H12/c1-6-4-2-3-5-6/h6H,2-5H2,1H3",InChI=1S/C6H10.H2/c1-6-4-2-3-5-6;/h1-5H2;1H,131.89203999999998,27.52495,
6348,[C:1]([C:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])([H:16])[C:6]1([H:17])[H:18])([H:7])([H:8])[H:9],[C:1]([C:2][C:6]([C:5]([C:4]([C:3]([H:10])([H:11])[H:12])([H:13])[H:14])([H:15])[H:16])([H:17])[H:18])([H:7])([H:8])[H:9],"InChI=1S/C6H12/c1-6-4-2-3-5-6/h6H,2-5H2,1H3","InChI=1S/C6H12/c1-3-5-6-4-2/h3,5-6H2,1-2H3",79.62318,85.42468000000001,
6349,[C:1]([C:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])([H:16])[C:6]1([H:17])[H:18])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:11])([H:12])[H:15])([C:6]([C:5](=[C:4]([H:13])[H:14])[H:16])([H:17])[H:18])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C6H12/c1-6-4-2-3-5-6/h6H,2-5H2,1H3","InChI=1S/C6H12/c1-4-5-6(2)3/h4,6H,1,5H2,2-3H3",94.72665,11.55793,
6350,[C:1]([C:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])([H:16])[C:6]1([H:17])[H:18])([H:7])([H:8])[H:9],[C:1]([C:6]([C:2](=[C:3]([H:11])[H:12])[H:10])([H:17])[H:18])([H:7])([H:8])[H:9].[C:4](=[C:5]([H:15])[H:16])([H:13])[H:14],"InChI=1S/C6H12/c1-6-4-2-3-5-6/h6H,2-5H2,1H3","InChI=1S/C4H8.C2H4/c1-3-4-2;1-2/h3H,1,4H2,2H3;1-2H2",109.07408999999998,35.60152,
6351,[C:1]([C:2]([C@@:3]([C:4]([H:12])([H:13])[H:14])([O:5][H:15])[H:11])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1](=[C:2]([H:9])[H:10])([H:7])[H:8].[C:3]([C:4]([H:12])([H:13])[H:14])(=[O:5])[H:11].[H:6][H:15],"InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3/t4-/m1/s1","InChI=1S/C2H4O.C2H4.H2/c1-2-3;1-2;/h2H,1H3;1-2H2;1H",63.47169,43.29088,
6352,[C:1]([C:2]([C@@:3]([C:4]([H:12])([H:13])[H:14])([O:5][H:15])[H:11])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([C:2]([C:3]([C:4]([H:12])([H:13])[H:14])=[O:5])([H:9])[H:10])([H:6])([H:7])[H:8].[H:11][H:15],"InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3/t4-/m1/s1","InChI=1S/C4H8O.H2/c1-3-4(2)5;/h3H2,1-2H3;1H",74.48043,13.04342,
6353,[C:1]([C:2]([C@@:3]([C:4]([H:12])([H:13])[H:14])([O:5][H:15])[H:11])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([C:2]([C:3](=[O:5])[H:11])([H:9])[H:10])([H:6])([H:7])[H:8].[C:4]([H:12])([H:13])([H:14])[H:15],"InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3/t4-/m1/s1","InChI=1S/C3H6O.CH4/c1-2-3-4;/h3H,2H2,1H3;1H4",76.17664,7.40245,
6354,[C:1]([C:2]([C@@:3]([C:4]([H:12])([H:13])[H:14])([O:5][H:15])[H:11])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([C:2]([C:3][O:5][H:15])([H:9])[H:10])([H:6])([H:7])[H:8].[C:4]([H:11])([H:12])([H:13])[H:14],"InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3/t4-/m1/s1","InChI=1S/C3H6O.CH4/c1-2-3-4;/h4H,2H2,1H3;1H4",71.95919,62.97965,
6355,[C:1]([C:2]([C@@:3]([C:4]([H:12])([H:13])[H:14])([O:5][H:15])[H:11])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([C:2]([H:9])([H:10])[H:11])([H:6])([H:7])[H:8].[C:3]([C:4]([H:12])([H:13])[H:14])[O:5][H:15],"InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3/t4-/m1/s1","InChI=1S/C2H4O.C2H6/c1-2-3;1-2/h3H,1H3;1-2H3",69.16636,64.58436,
6356,[C:1]([C:2]([C@@:3]([C:4]([H:12])([H:13])[H:14])([O:5][H:15])[H:11])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1](/[C:2](=[C:3](/[C:4]([H:12])([H:13])[H:14])[H:11])[H:9])([H:6])([H:7])[H:8].[O:5]([H:10])[H:15],"InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3/t4-/m1/s1","InChI=1S/C4H8.H2O/c1-3-4-2;/h3-4H,1-2H3;1H2/b4-3+;",59.4978,10.47949,"1,3_Insertion_ROR"
6357,[C:1]([C:2]([C@@:3]([C:4]([H:12])([H:13])[H:14])([O:5][H:15])[H:11])([H:9])[H:10])([H:6])([H:7])[H:8],[C-:1]([C:2]([C+:3]([O:5][H:15])[H:11])([H:9])[H:10])([H:7])[H:8].[C:4]([H:6])([H:12])([H:13])[H:14],"InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3/t4-/m1/s1","InChI=1S/C3H6O.CH4/c1-2-3-4;/h3-4H,1-2H2;1H4",92.27211,92.25363,
6358,[C:1]([C:2]([C@@:3]([C:4]([H:12])([H:13])[H:14])([O:5][H:15])[H:11])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([C:2]([C:3][H:11])([H:9])[H:10])([H:6])([H:7])[H:8].[C:4]([O:5][H:15])([H:12])([H:13])[H:14],"InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3/t4-/m1/s1","InChI=1S/C3H6.CH4O/c1-3-2;1-2/h1H,3H2,2H3;2H,1H3",115.01168999999999,32.49642,
6359,[C:1]([C:2]([C@@:3]([C:4]([H:12])([H:13])[H:14])([O:5][H:15])[H:11])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([C:2]([C:3](=[C:4]([H:13])[H:14])[O:5][H:15])([H:9])[H:10])([H:6])([H:7])[H:8].[H:11][H:12],"InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3/t4-/m1/s1","InChI=1S/C4H8O.H2/c1-3-4(2)5;/h5H,2-3H2,1H3;1H",96.09897,22.67223,
6360,[C:1]([C:2]([C:3](=[O:4])[C:5](=[O:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3](=[O:4])[O+:6]=[C-:5][H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H6O2/c1-2-4(6)3-5/h3H,2H2,1H3","InChI=1S/C4H6O2/c1-3-4(5)6-2/h2H,3H2,1H3",60.76242,56.184430000000006,
6361,[C:1]([C:2]([C:3](=[O:4])[C:5](=[O:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](/[C:2](=[C:3](\[O:4][H:10])[C:5](=[O:6])[H:12])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H6O2/c1-2-4(6)3-5/h3H,2H2,1H3","InChI=1S/C4H6O2/c1-2-4(6)3-5/h2-3,6H,1H3/b4-2-",67.00404,1.73259,ketoenol
6362,[C:1]([C:2]([C:3](=[O:4])[C:5](=[O:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C-:3]=[O+:4][C:5](=[O:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H6O2/c1-2-4(6)3-5/h3H,2H2,1H3","InChI=1S/C4H6O2/c1-2-3-6-4-5/h4H,2H2,1H3",56.50816,58.35723,
6363,[C:1]([C:2]([C:3](=[O:4])[C:5](=[O:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C-:3]#[O+:4].[C-:5]#[O+:6].[C:1]([C:2]([H:10])([H:11])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H6O2/c1-2-4(6)3-5/h3H,2H2,1H3",InChI=1S/C2H6.2CO/c3*1-2/h1-2H3;;,63.153459999999995,-1.72755,
6364,[C:1]([C:2]([C:3](=[O:4])[C:5](=[O:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:6][C@@:5]1([H:12])[C:3](=[C:2]([H:10])[H:11])[O:4]1)([H:7])([H:8])[H:9],"InChI=1S/C4H6O2/c1-2-4(6)3-5/h3H,2H2,1H3","InChI=1S/C4H6O2/c1-3-4(5-2)6-3/h4H,1H2,2H3/t4-/m1/s1",80.51958,41.57497,
6365,[C:1]([C:2]([C:3](=[O:4])[C:5](=[O:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]=[O:4])[H:11])([H:7])([H:8])[H:9].[C:5](=[O:6])([H:10])[H:12],"InChI=1S/C4H6O2/c1-2-4(6)3-5/h3H,2H2,1H3","InChI=1S/C3H4O.CH2O/c1-2-3-4;1-2/h2H,1H3;1H2",63.02644,26.78067,
6366,[C:1]([C:2]([C:3](=[O:4])[C:5](=[O:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C-:3]#[O+:4].[C:1](=[C:2]([H:10])[H:11])([H:8])[H:9].[C:5](=[O:6])([H:7])[H:12],"InChI=1S/C4H6O2/c1-2-4(6)3-5/h3H,2H2,1H3",InChI=1S/C2H4.CH2O.CO/c3*1-2/h1-2H2;1H2;,65.75187,32.19167,
6367,[C:1]([C:2]([C:3](=[O:4])[C:5](=[O:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C-:5]#[O+:6].[C:1]([C:2]([C:3][O:4][H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H6O2/c1-2-4(6)3-5/h3H,2H2,1H3","InChI=1S/C3H6O.CO/c1-2-3-4;1-2/h4H,2H2,1H3;",55.685190000000006,56.24385,
6368,[C:1]([C:2]([C:3](=[O:4])[C:5](=[O:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]([O-:4])[C+:5]([O:6][H:10])[H:12])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H6O2/c1-2-4(6)3-5/h3H,2H2,1H3","InChI=1S/C4H6O2/c1-2-4(6)3-5/h2-3,5H,1H3",50.093779999999995,39.87522,
6369,[C:1]([C:2]([C:3](=[O:4])[C:5](=[O:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:4][C:3](=[C:2]([H:10])[H:11])[C:5](=[O:6])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H6O2/c1-2-4(6)3-5/h3H,2H2,1H3","InChI=1S/C4H6O2/c1-4(3-5)6-2/h3H,1H2,2H3",79.3283,15.4214,ketoenol
6370,[C:1]([C:2]([C:3](=[O:4])[C:5](=[O:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([O:6][C:5](=[C:3]=[O:4])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H6O2/c1-2-4(6)3-5/h3H,2H2,1H3","InChI=1S/C4H6O2/c1-2-6-4-3-5/h4H,2H2,1H3",78.20016,28.95965,ketoenol
6371,[C:1]([N:2](/[C:3](=[N:4]/[H:11])[H:10])[C:5](=[O:6])[H:12])([H:7])([H:8])[H:9],[C:1](/[N:2]=[C:3](/[N:4]([C:5](=[O:6])[H:12])[H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C3H6N2O/c1-5(2-4)3-6/h2-4H,1H3/b4-2+","InChI=1S/C3H6N2O/c1-4-2-5-3-6/h2-3H,1H3,(H,4,5,6)",38.69882,8.5891,
6372,[C:1]([N:2](/[C:3](=[N:4]/[H:11])[H:10])[C:5](=[O:6])[H:12])([H:7])([H:8])[H:9],[C:1]([O:6]/[C:5](=[N:2]/[C:3](=[N:4]/[H:11])[H:10])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C3H6N2O/c1-5(2-4)3-6/h2-4H,1H3/b4-2+","InChI=1S/C3H6N2O/c1-6-3-5-2-4/h2-4H,1H3/b4-2+,5-3+",63.48004,20.35085,ketoenol
6373,[C:1]([N:2](/[C:3](=[N:4]/[H:11])[H:10])[C:5](=[O:6])[H:12])([H:7])([H:8])[H:9],[C:1]([N:2]=[C:3]=[N:4][H:11])([H:7])([H:8])[H:9].[C:5](=[O:6])([H:10])[H:12],"InChI=1S/C3H6N2O/c1-5(2-4)3-6/h2-4H,1H3/b4-2+","InChI=1S/C2H4N2.CH2O/c1-4-2-3;1-2/h3H,1H3;1H2",69.95179,34.34017,
6374,[C:1]([N:2](/[C:3](=[N:4]/[H:11])[H:10])[C:5](=[O:6])[H:12])([H:7])([H:8])[H:9],[C-:5]#[O+:6].[C:1](/[N:2]=[C:3](/[N:4]([H:11])[H:12])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C3H6N2O/c1-5(2-4)3-6/h2-4H,1H3/b4-2+","InChI=1S/C2H6N2.CO/c1-4-2-3;1-2/h2H,1H3,(H2,3,4);",39.23908,12.13898,
6375,[C:1]([N:2](/[C:3](=[N:4]/[H:11])[H:10])[C:5](=[O:6])[H:12])([H:7])([H:8])[H:9],[C-:1]([N+:2](=[C:3]([N:4]([H:8])[H:11])[H:10])[C:5](=[O:6])[H:12])([H:7])[H:9],"InChI=1S/C3H6N2O/c1-5(2-4)3-6/h2-4H,1H3/b4-2+","InChI=1S/C3H6N2O/c1-5(2-4)3-6/h2-3H,1,4H2",49.76826,51.00721,
6376,[C:1]([N:2](/[C:3](=[N:4]/[H:11])[H:10])[C:5](=[O:6])[H:12])([H:7])([H:8])[H:9],[C:1](=[N+:2]([C:3]([N-:4][H:11])([H:8])[H:10])[C:5](=[O:6])[H:12])([H:7])[H:9],"InChI=1S/C3H6N2O/c1-5(2-4)3-6/h2-4H,1H3/b4-2+","InChI=1S/C3H6N2O/c1-5(2-4)3-6/h3-4H,1-2H2",83.99561,66.52405999999999,
6377,[C:1]([C@@:2]([C:3]([O:4][H:13])([H:11])[H:12])([C:5](=[O:6])[H:14])[H:10])([H:7])([H:8])[H:9],[C:1](/[C:2]([C:3]([O:4][H:13])([H:11])[H:12])=[C:5](\[O:6][H:10])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-4(2-5)3-6/h2,4,6H,3H2,1H3/t4-/m1/s1","InChI=1S/C4H8O2/c1-4(2-5)3-6/h2,5-6H,3H2,1H3/b4-2+",65.75932,5.14145,ketoenol
6378,[C:1]([C@@:2]([C:3]([O:4][H:13])([H:11])[H:12])([C:5](=[O:6])[H:14])[H:10])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[O:4][C@:5]1([O:6][H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-4(2-5)3-6/h2,4,6H,3H2,1H3/t4-/m1/s1","InChI=1S/C4H8O2/c1-3-2-6-4(3)5/h3-5H,2H2,1H3/t3-,4+/m0/s1",42.96206,9.896980000000001,
6379,[C:1]([C@@:2]([C:3]([O:4][H:13])([H:11])[H:12])([C:5](=[O:6])[H:14])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]([H:11])[H:12])[C:5](=[O:6])[H:14])([H:7])([H:8])[H:9].[O:4]([H:10])[H:13],"InChI=1S/C4H8O2/c1-4(2-5)3-6/h2,4,6H,3H2,1H3/t4-/m1/s1","InChI=1S/C4H6O.H2O/c1-4(2)3-5;/h3H,1H2,2H3;1H2",48.13235,3.05373,"1,3_Insertion_ROR"
6380,[C:1]([C@@:2]([C:3]([O:4][H:13])([H:11])[H:12])([C:5](=[O:6])[H:14])[H:10])([H:7])([H:8])[H:9],[C:1]([O:6]/[C:5](=[C:2](/[C:3]([O:4][H:13])([H:11])[H:12])[H:10])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-4(2-5)3-6/h2,4,6H,3H2,1H3/t4-/m1/s1","InChI=1S/C4H8O2/c1-6-4-2-3-5/h2,4-5H,3H2,1H3/b4-2+",79.77988,17.9882,ketoenol
6381,[C:1]([C@@:2]([C:3]([O:4][H:13])([H:11])[H:12])([C:5](=[O:6])[H:14])[H:10])([H:7])([H:8])[H:9],[C:1]1([H:8])([H:9])[C@@:2]([C:5](=[O:6])[H:14])([H:10])[C@:3]1([O:4][H:13])[H:11].[H:7][H:12],"InChI=1S/C4H8O2/c1-4(2-5)3-6/h2,4,6H,3H2,1H3/t4-/m1/s1","InChI=1S/C4H6O2.H2/c5-2-3-1-4(3)6;/h2-4,6H,1H2;1H/t3-,4+;/m1./s1",89.23905,31.747709999999998,
6382,[C:1]([C@@:2]([C:3]([O:4][H:13])([H:11])[H:12])([C:5](=[O:6])[H:14])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3](=[O:4])[H:11])([C:5](=[O:6])[H:14])[H:10])([H:7])([H:8])[H:9].[H:12][H:13],"InChI=1S/C4H8O2/c1-4(2-5)3-6/h2,4,6H,3H2,1H3/t4-/m1/s1","InChI=1S/C4H6O2.H2/c1-4(2-5)3-6;/h2-4H,1H3;1H",79.19306999999999,17.63229,
6383,[C:1]([C@@:2]([C:3]([O:4][H:13])([H:11])[H:12])([C:5](=[O:6])[H:14])[H:10])([H:7])([H:8])[H:9],[C:1]([C@@:2]([C:3]([O:4][H:13])([H:11])[H:12])([O+:6]=[C-:5][H:14])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-4(2-5)3-6/h2,4,6H,3H2,1H3/t4-/m1/s1","InChI=1S/C4H8O2/c1-4(3-5)6-2/h2,4-5H,3H2,1H3/t4-/m0/s1",98.52885,59.365159999999996,
6384,[C:1]([C@@:2]([C:3]([O:4][H:13])([H:11])[H:12])([C:5](=[O:6])[H:14])[H:10])([H:7])([H:8])[H:9],[C:1](/[C:2](=[C:5](/[O:6][H:13])[H:14])[H:10])([H:7])([H:8])[H:9].[C:3](=[O:4])([H:11])[H:12],"InChI=1S/C4H8O2/c1-4(2-5)3-6/h2,4,6H,3H2,1H3/t4-/m1/s1","InChI=1S/C3H6O.CH2O/c1-2-3-4;1-2/h2-4H,1H3;1H2/b3-2+;",20.77032,20.70734,Retroene
6385,[C:1]([C@@:2]([C:3]([O:4][H:13])([H:11])[H:12])([C:5](=[O:6])[H:14])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]([H:11])[H:12])[H:10])([H:7])([H:8])[H:9].[O:4]([C:5](=[O:6])[H:14])[H:13],"InChI=1S/C4H8O2/c1-4(2-5)3-6/h2,4,6H,3H2,1H3/t4-/m1/s1","InChI=1S/C3H6.CH2O2/c1-3-2;2-1-3/h3H,1H2,2H3;1H,(H,2,3)",47.1729,-3.16601,
6386,[C:1]([C@@:2]([C:3]([O:4][H:13])([H:11])[H:12])([C:5](=[O:6])[H:14])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:5]=[O:6])[H:10])([H:7])([H:8])[H:9].[C:3](=[O:4])([H:11])[H:12].[H:13][H:14],"InChI=1S/C4H8O2/c1-4(2-5)3-6/h2,4,6H,3H2,1H3/t4-/m1/s1","InChI=1S/C3H4O.CH2O.H2/c1-2-3-4;1-2;/h2H,1H3;1H2;1H",57.49536,41.7673,
6387,[C:1]([C@@:2]([C:3]([O:4][H:13])([H:11])[H:12])([C:5](=[O:6])[H:14])[H:10])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:5]1([O:6][O:4][H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-4(2-5)3-6/h2,4,6H,3H2,1H3/t4-/m1/s1","InChI=1S/C4H8O2/c1-3-2-4(3)6-5/h3-5H,2H2,1H3/t3-,4+/m0/s1",94.42612,71.47278,
6388,[C:1]([C@@:2]([C:3]([O:4][H:13])([H:11])[H:12])([C:5](=[O:6])[H:14])[H:10])([H:7])([H:8])[H:9],[C:1]([O:4][H:13])([H:7])([H:8])[H:9].[C:2](=[C:3]([H:11])[H:12])([C:5](=[O:6])[H:14])[H:10],"InChI=1S/C4H8O2/c1-4(2-5)3-6/h2,4,6H,3H2,1H3/t4-/m1/s1","InChI=1S/C3H4O.CH4O/c1-2-3-4;1-2/h2-3H,1H2;2H,1H3",73.79903,20.732020000000002,"1,3_Insertion_ROR"
6389,[C:1]([C@@:2]([C:3]([O:4][H:13])([H:11])[H:12])([C:5](=[O:6])[H:14])[H:10])([H:7])([H:8])[H:9],[C:1]([C:3]([C@@:2]([O:4][H:13])([C:5](=[O:6])[H:14])[H:10])([H:11])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-4(2-5)3-6/h2,4,6H,3H2,1H3/t4-/m1/s1","InChI=1S/C4H8O2/c1-2-4(6)3-5/h3-4,6H,2H2,1H3/t4-/m1/s1",87.76365,0.62024,
6390,[C:1]([C@@:2]([C:3]([O:4][H:13])([H:11])[H:12])([C:5](=[O:6])[H:14])[H:10])([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:14].[C:2]([C:3]([O:4][H:13])([H:11])[H:12])(=[C:5]=[O:6])[H:10],"InChI=1S/C4H8O2/c1-4(2-5)3-6/h2,4,6H,3H2,1H3/t4-/m1/s1","InChI=1S/C3H4O2.CH4/c4-2-1-3-5;/h1,4H,2H2;1H4",76.13886,14.275279999999999,
6391,[C:1]([C@@:2]([C:3]([O:4][H:13])([H:11])[H:12])([C:5](=[O:6])[H:14])[H:10])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C@:5]([C:3]([O:4][H:13])([H:11])[H:12])([H:14])[O:6]1)([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-4(2-5)3-6/h2,4,6H,3H2,1H3/t4-/m1/s1","InChI=1S/C4H8O2/c1-3-4(2-5)6-3/h3-5H,2H2,1H3/t3-,4+/m0/s1",71.67563,21.831139999999998,
6392,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4](=[O:5])[N:6]1[H:13])([H:7])([H:8])[H:9],[C-:4]#[O+:5].[C:1]([N:6]([C:2](=[C:3]([H:11])[H:12])[H:10])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-3-2-4(6)5-3/h3H,2H2,1H3,(H,5,6)/t3-/m0/s1","InChI=1S/C3H7N.CO/c1-3-4-2;1-2/h3-4H,1H2,2H3;",100.62923,19.89904,
6393,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4](=[O:5])[N:6]1[H:13])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]([H:11])[H:12])[H:10])([H:7])([H:8])[H:9].[C:4](=[O:5])=[N:6][H:13],"InChI=1S/C4H7NO/c1-3-2-4(6)5-3/h3H,2H2,1H3,(H,5,6)/t3-/m0/s1","InChI=1S/C3H6.CHNO/c1-3-2;2-1-3/h3H,1H2,2H3;2H",38.29636,6.01675,
6394,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4](=[O:5])[N:6]1[H:13])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:12])=[C:4]([O:5][H:11])[N:6]1[H:13])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-3-2-4(6)5-3/h3H,2H2,1H3,(H,5,6)/t3-/m0/s1","InChI=1S/C4H7NO/c1-3-2-4(6)5-3/h2-3,5-6H,1H3/t3-/m0/s1",82.08843,31.154220000000002,ketoenol
6395,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4](=[O:5])[N:6]1[H:13])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([N:6]=[C:4]=[O:5])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-3-2-4(6)5-3/h3H,2H2,1H3,(H,5,6)/t3-/m0/s1","InChI=1S/C4H7NO/c1-4(2)5-3-6/h4H,1-2H3",86.66435,-11.60673,
6396,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4](=[O:5])[N:6]1[H:13])([H:7])([H:8])[H:9],[C:1]([C-:2]([N:6]([C:4]1=[O+:5][C:3]1([H:11])[H:12])[H:13])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-3-2-4(6)5-3/h3H,2H2,1H3,(H,5,6)/t3-/m0/s1","InChI=1S/C4H7NO/c1-2-5-4-3-6-4/h2,5H,3H2,1H3",91.50097,82.42367,
6397,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4](=[O:5])[N:6]1[H:13])([H:7])([H:8])[H:9],[C:1]([O+:5]=[C:4]1[C:3]([H:11])([H:12])[C-:2]([H:10])[N:6]1[H:13])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-3-2-4(6)5-3/h3H,2H2,1H3,(H,5,6)/t3-/m0/s1","InChI=1S/C4H7NO/c1-6-4-2-3-5-4/h3,5H,2H2,1H3",106.31108,82.53364,
6398,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4](=[O:5])[N:6]1[H:13])([H:7])([H:8])[H:9],[C:1]([C-:2]1[C:3]([H:11])([H:12])[C+:4]([O:5][H:10])[N:6]1[H:13])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-3-2-4(6)5-3/h3H,2H2,1H3,(H,5,6)/t3-/m0/s1","InChI=1S/C4H7NO/c1-3-2-4(6)5-3/h5-6H,2H2,1H3",101.69803,70.03844000000001,
6399,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4](=[O:5])[N:6]1[H:13])([H:7])([H:8])[H:9],[C:1](/[C:2](=[N:6]\[H:13])[H:10])([H:7])([H:8])[H:9].[C:3](=[C:4]=[O:5])([H:11])[H:12],"InChI=1S/C4H7NO/c1-3-2-4(6)5-3/h3H,2H2,1H3,(H,5,6)/t3-/m0/s1","InChI=1S/C2H5N.C2H2O/c2*1-2-3/h2-3H,1H3;1H2/b3-2-;",43.05662,27.89295,
6400,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4](=[O:5])[N:6]1[H:13])([H:7])([H:8])[H:9],[C:1]([C:2]([N:6]([C:4](=[C+:3][H:11])[O-:5])[H:13])([H:10])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-3-2-4(6)5-3/h3H,2H2,1H3,(H,5,6)/t3-/m0/s1","InChI=1S/C4H7NO/c1-3-5-4(2)6/h2,5H,3H2,1H3",73.69921,71.81546999999999,
6401,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4](=[O:5])[N:6]1[H:13])([H:7])([H:8])[H:9],[C:1]([C@@:2]([C:3](=[C:4]=[O:5])[H:11])([N:6]([H:12])[H:13])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-3-2-4(6)5-3/h3H,2H2,1H3,(H,5,6)/t3-/m0/s1","InChI=1S/C4H7NO/c1-4(5)2-3-6/h2,4H,5H2,1H3/t4-/m0/s1",76.24669,15.31356,
6402,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4](=[O:5])[N:6]1[H:13])([H:7])([H:8])[H:9],[C:1]([C:2][C:3]([C:4](=[O:5])[N:6]([H:10])[H:13])([H:11])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-3-2-4(6)5-3/h3H,2H2,1H3,(H,5,6)/t3-/m0/s1","InChI=1S/C4H7NO/c1-2-3-4(5)6/h3H2,1H3,(H2,5,6)",64.71084,64.20829,
6403,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4](=[O:5])[N:6]1[H:13])([H:7])([H:8])[H:9],[C:1]([C:4]([C:3](/[C:2](=[N:6]/[H:13])[H:10])([H:11])[H:12])=[O:5])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-3-2-4(6)5-3/h3H,2H2,1H3,(H,5,6)/t3-/m0/s1","InChI=1S/C4H7NO/c1-4(6)2-3-5/h3,5H,2H2,1H3/b5-3+",95.59671999999999,8.66274,
6404,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4](=[O:5])[N:6]1[H:13])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([C:4]1=[N:6][O:5]1)([H:11])[H:12])([H:10])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-3-2-4(6)5-3/h3H,2H2,1H3,(H,5,6)/t3-/m0/s1","InChI=1S/C4H7NO/c1-2-3-4-5-6-4/h2-3H2,1H3",67.34357,64.75516999999999,
6405,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4](=[O:5])[N:6]1[H:13])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([O:5][H:13])=[N:6]1)([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-3-2-4(6)5-3/h3H,2H2,1H3,(H,5,6)/t3-/m0/s1","InChI=1S/C4H7NO/c1-3-2-4(6)5-3/h3H,2H2,1H3,(H,5,6)/t3-/m0/s1",57.72968,15.794329999999999,ketoenol
6406,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4](=[O:5])[N:6]1[H:13])([H:7])([H:8])[H:9],[C:1]([C:3]([C:4](=[O:5])[N+:6](=[C-:2][H:10])[H:13])([H:11])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-3-2-4(6)5-3/h3H,2H2,1H3,(H,5,6)/t3-/m0/s1","InChI=1S/C4H7NO/c1-3-4(6)5-2/h2,5H,3H2,1H3",112.58051,47.544059999999995,
6407,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4](=[O:5])[N:6]1[H:13])([H:7])([H:8])[H:9],[C-:2]1=[N+:6]([H:13])[C:4](=[O:5])[C:3]1([H:11])[H:12].[C:1]([H:7])([H:8])([H:9])[H:10],"InChI=1S/C4H7NO/c1-3-2-4(6)5-3/h3H,2H2,1H3,(H,5,6)/t3-/m0/s1","InChI=1S/C3H3NO.CH4/c5-3-1-2-4-3;/h4H,1H2;1H4",74.63464,61.63632,
6408,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4](=[O:5])[N:6]1[H:13])([H:7])([H:8])[H:9],[C:1]([C:2]1=[N:6][C:4](=[O:5])[C:3]1([H:11])[H:12])([H:7])([H:8])[H:9].[H:10][H:13],"InChI=1S/C4H7NO/c1-3-2-4(6)5-3/h3H,2H2,1H3,(H,5,6)/t3-/m0/s1","InChI=1S/C4H5NO.H2/c1-3-2-4(6)5-3;/h2H2,1H3;1H",96.27335,35.97639,
6409,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4](=[O:5])[N:6]1[H:13])([H:7])([H:8])[H:9],[C:1]([C:2]1=[C:3]([H:12])[C:4](=[O:5])[N:6]1[H:13])([H:7])([H:8])[H:9].[H:10][H:11],"InChI=1S/C4H7NO/c1-3-2-4(6)5-3/h3H,2H2,1H3,(H,5,6)/t3-/m0/s1","InChI=1S/C4H5NO.H2/c1-3-2-4(6)5-3;/h2H,1H3,(H,5,6);1H",91.77298,41.189409999999995,
6410,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4](=[O:5])[N:6]1[H:13])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C@:3]([C:4](=[O:5])[H:12])([H:11])[N:6]1[H:13])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-3-2-4(6)5-3/h3H,2H2,1H3,(H,5,6)/t3-/m0/s1","InChI=1S/C4H7NO/c1-3-4(2-6)5-3/h2-5H,1H3/t3-,4+/m0/s1",86.94203,28.09933,
6411,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4](=[O:5])[N:6]1[H:13])([H:7])([H:8])[H:9],[C-:4]#[O+:5].[C:1]([C:3](/[C:2](=[N:6]/[H:13])[H:10])([H:11])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-3-2-4(6)5-3/h3H,2H2,1H3,(H,5,6)/t3-/m0/s1","InChI=1S/C3H7N.CO/c1-2-3-4;1-2/h3-4H,2H2,1H3;/b4-3+;",90.42544000000001,11.9823,
6412,[O:1]([C:2]1([H:7])[C:3]([H:8])([H:9])[O:4][C:5]1([H:10])[H:11])[H:6],[H:10][H:11].[O:1]([C@@:2]1([H:7])[C:3]([H:8])([H:9])[O+:4]=[C-:5]1)[H:6],"InChI=1S/C3H6O2/c4-3-1-5-2-3/h3-4H,1-2H2","InChI=1S/C3H4O2.H2/c4-3-1-5-2-3;/h3-4H,1H2;1H/t3-;/m0./s1",74.65848000000001,72.37671,
6413,[O:1]([C:2]1([H:7])[C:3]([H:8])([H:9])[O:4][C:5]1([H:10])[H:11])[H:6],[O:1]([C@@:2]([C:3][H:8])([C:5]([O:4][H:9])([H:10])[H:11])[H:7])[H:6],"InChI=1S/C3H6O2/c4-3-1-5-2-3/h3-4H,1-2H2","InChI=1S/C3H6O2/c1-3(5)2-4/h1,3-5H,2H2/t3-/m0/s1",70.80195,68.10887,
6414,[O:1]([C:2]1([H:7])[C:3]([H:8])([H:9])[O:4][C:5]1([H:10])[H:11])[H:6],[O:1]1[C@@:2]([C:5]([O:4][H:6])([H:10])[H:11])([H:7])[C:3]1([H:8])[H:9],"InChI=1S/C3H6O2/c4-3-1-5-2-3/h3-4H,1-2H2","InChI=1S/C3H6O2/c4-1-3-2-5-3/h3-4H,1-2H2/t3-/m1/s1",57.56423,-1.36948,
6415,[O:1]([C:2]1([H:7])[C:3]([H:8])([H:9])[O:4][C:5]1([H:10])[H:11])[H:6],[O:1]([C:2](=[C:3]([H:8])[H:9])[H:7])[H:6].[O:4]=[C:5]([H:10])[H:11],"InChI=1S/C3H6O2/c4-3-1-5-2-3/h3-4H,1-2H2","InChI=1S/C2H4O.CH2O/c1-2-3;1-2/h2-3H,1H2;1H2",52.96516999999999,0.09087,2+2_cycloaddition
6416,[O:1]([C:2]1([H:7])[C:3]([H:8])([H:9])[O:4][C:5]1([H:10])[H:11])[H:6],[C:2]1([H:7])=[C:5]([H:10])[O:4][C:3]1([H:8])[H:9].[O:1]([H:6])[H:11],"InChI=1S/C3H6O2/c4-3-1-5-2-3/h3-4H,1-2H2","InChI=1S/C3H4O.H2O/c1-2-4-3-1;/h1-2H,3H2;1H2",69.26899999999999,15.948889999999999,"1,3_Insertion_ROR"
6417,[O:1]([C:2]1([H:7])[C:3]([H:8])([H:9])[O:4][C:5]1([H:10])[H:11])[H:6],[O:1]([C:2]([C:3]([O+:4]=[C-:5][H:11])([H:8])[H:9])([H:7])[H:10])[H:6],"InChI=1S/C3H6O2/c4-3-1-5-2-3/h3-4H,1-2H2","InChI=1S/C3H6O2/c1-5-3-2-4/h1,4H,2-3H2",72.13078,47.0619,
6418,[O:1]([C:2]1([H:7])[C:3]([H:8])([H:9])[O:4][C:5]1([H:10])[H:11])[H:6],[H:7][H:8].[O:1]([C:2]1=[C:3]([H:9])[O:4][C:5]1([H:10])[H:11])[H:6],"InChI=1S/C3H6O2/c4-3-1-5-2-3/h3-4H,1-2H2","InChI=1S/C3H4O2.H2/c4-3-1-5-2-3;/h1,4H,2H2;1H",112.0398,32.95943,
6419,[O:1]([C:2]1([H:7])[C:3]([H:8])([H:9])[O:4][C:5]1([H:10])[H:11])[H:6],[O:1]([C:2][C:3]([O:4][C:5]([H:7])([H:10])[H:11])([H:8])[H:9])[H:6],"InChI=1S/C3H6O2/c4-3-1-5-2-3/h3-4H,1-2H2","InChI=1S/C3H6O2/c1-5-3-2-4/h4H,3H2,1H3",60.50298000000001,46.745309999999996,
6420,[O:1]([C:2]1([H:7])[C:3]([H:8])([H:9])[O:4][C:5]1([H:10])[H:11])[H:6],[H:6][H:7].[O:1]=[C:2]1[C:3]([H:8])([H:9])[O:4][C:5]1([H:10])[H:11],"InChI=1S/C3H6O2/c4-3-1-5-2-3/h3-4H,1-2H2",InChI=1S/C3H4O2.H2/c4-3-1-5-2-3;/h1-2H2;1H,78.69076,14.664929999999998,
6421,[C:1]([C:2]([C:3]([O:4][C:5]([H:13])([H:14])[H:15])([H:11])[H:12])([H:9])[H:10])([H:6])([H:7])[H:8],[C-:3](=[O+:4][C:5]([H:13])([H:14])[H:15])[H:12].[C:1]([C:2]([H:9])([H:10])[H:11])([H:6])([H:7])[H:8],"InChI=1S/C4H10O/c1-3-4-5-2/h3-4H2,1-2H3","InChI=1S/C2H4O.C2H6/c1-3-2;1-2/h1H,2H3;1-2H3",73.06745,67.08591,
6422,[C:1]([C:2]([C:3]([O:4][C:5]([H:13])([H:14])[H:15])([H:11])[H:12])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([C:2]([H:9])[H:10])([H:6])([H:7])[H:8].[C:3]([O:4][C:5]([H:13])[H:15])([H:11])([H:12])[H:14],"InChI=1S/C4H10O/c1-3-4-5-2/h3-4H2,1-2H3","InChI=1S/C2H5O.C2H5/c1-3-2;1-2/h1H2,2H3;1H2,2H3",116.14376999999999,87.30761,
6423,[C:1]([C:2]([C:3]([O:4][C:5]([H:13])([H:14])[H:15])([H:11])[H:12])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1](=[C:2]([H:9])[H:10])([H:7])[H:8].[C:3](=[O:4])([H:11])[H:12].[C:5]([H:6])([H:13])([H:14])[H:15],"InChI=1S/C4H10O/c1-3-4-5-2/h3-4H2,1-2H3",InChI=1S/C2H4.CH2O.CH4/c2*1-2;/h1-2H2;1H2;1H4,78.12371,25.18146,
6424,[C:1]([C:2]([C:3]([O:4][C:5]([H:13])([H:14])[H:15])([H:11])[H:12])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([C:2]([C:3](=[O+:4][C-:5]([H:13])[H:15])[H:12])([H:9])[H:10])([H:6])([H:7])[H:8].[H:11][H:14],"InChI=1S/C4H10O/c1-3-4-5-2/h3-4H2,1-2H3","InChI=1S/C4H8O.H2/c1-3-4-5-2;/h4H,2-3H2,1H3;1H",66.89962,72.32196,
6425,[C:1]([C:2]([C@@:3]1([C:4]([H:12])([H:13])[H:14])[C:5]([H:15])([H:16])[O:6]1)([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C@@:3]([C:4]([H:12])([H:13])[H:14])([C:5][H:16])[O:6][H:15])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-3-5(2)4-6-5/h3-4H2,1-2H3/t5-/m0/s1","InChI=1S/C5H10O/c1-4-5(2,3)6/h2,6H,4H2,1,3H3/t5-/m0/s1",68.61907,66.64090999999999,
6426,[C:1]([C:2]([C@@:3]1([C:4]([H:12])([H:13])[H:14])[C:5]([H:15])([H:16])[O:6]1)([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C@:3]([C:4]([H:12])([H:13])[H:14])([O+:6]=[C-:5][H:16])[H:15])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-3-5(2)4-6-5/h3-4H2,1-2H3/t5-/m0/s1","InChI=1S/C5H10O/c1-4-5(2)6-3/h3,5H,4H2,1-2H3/t5-/m0/s1",75.33022,47.66073,
6427,[C:1]([C:2]([C@@:3]1([C:4]([H:12])([H:13])[H:14])[C:5]([H:15])([H:16])[O:6]1)([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3](=[C:4]([H:12])[H:13])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9].[C:5](=[O:6])([H:15])[H:16],"InChI=1S/C5H10O/c1-3-5(2)4-6-5/h3-4H2,1-2H3/t5-/m0/s1","InChI=1S/C4H8.CH2O/c1-3-4-2;1-2/h3H,1,4H2,2H3;1H2",75.5109,10.59548,
6428,[C:1]([C:2]([C@@:3]1([C:4]([H:12])([H:13])[H:14])[C:5]([H:15])([H:16])[O:6]1)([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:6][C:5]([C:3](=[C:2]([H:10])[H:11])[C:4]([H:12])([H:13])[H:14])([H:15])[H:16])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-3-5(2)4-6-5/h3-4H2,1-2H3/t5-/m0/s1","InChI=1S/C5H10O/c1-5(2)4-6-3/h1,4H2,2-3H3",81.65462,1.3917,
6429,[C:1]([C:2]([C@@:3]1([C:4]([H:12])([H:13])[H:14])[C:5]([H:15])([H:16])[O:6]1)([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3](=[C+:5][H:15])[O-:6])([H:10])[H:11])([H:7])([H:8])[H:9].[C:4]([H:12])([H:13])([H:14])[H:16],"InChI=1S/C5H10O/c1-3-5(2)4-6-5/h3-4H2,1-2H3/t5-/m0/s1","InChI=1S/C4H6O.CH4/c1-3-4(2)5;/h2H,3H2,1H3;1H4",107.25245,60.59771,
6430,[C:1]([C:2]([C@@:3]1([C:4]([H:12])([H:13])[H:14])[C:5]([H:15])([H:16])[O:6]1)([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([O:6][C:5]([C:3][C:4]([H:12])([H:13])[H:14])([H:15])[H:16])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-3-5(2)4-6-5/h3-4H2,1-2H3/t5-/m0/s1","InChI=1S/C5H10O/c1-3-5-6-4-2/h4-5H2,1-2H3",98.49592,79.38741999999999,
6431,[C:1]([C:2]([C@@:3]1([C:4]([H:12])([H:13])[H:14])[C:5]([H:15])([H:16])[O:6]1)([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]([H:10])[H:11])([H:8])[H:9].[C:3]([C:4]([H:12])([H:13])[H:14])([C:5]([H:7])([H:15])[H:16])=[O:6],"InChI=1S/C5H10O/c1-3-5(2)4-6-5/h3-4H2,1-2H3/t5-/m0/s1",InChI=1S/C3H6O.C2H4/c1-3(2)4;1-2/h1-2H3;1-2H2,59.9261,-2.45112,
6432,[C:1]([C:2]([C@@:3]1([C:4]([H:12])([H:13])[H:14])[C:5]([H:15])([H:16])[O:6]1)([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:3](=[C:2]([H:10])[H:11])[C:4]([H:12])([H:13])[H:14])([H:7])([H:8])[H:9].[C:5](=[O:6])([H:15])[H:16],"InChI=1S/C5H10O/c1-3-5(2)4-6-5/h3-4H2,1-2H3/t5-/m0/s1","InChI=1S/C4H8.CH2O/c1-4(2)3;1-2/h1H2,2-3H3;1H2",77.00417,6.38546,
6433,[C:1]([C:2]([C@@:3]1([C:4]([H:12])([H:13])[H:14])[C:5]([H:15])([H:16])[O:6]1)([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([C:4]([H:12])([H:13])[H:14])=[O+:6][C-:5]([H:15])[H:16])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-3-5(2)4-6-5/h3-4H2,1-2H3/t5-/m0/s1","InChI=1S/C5H10O/c1-4-5(2)6-3/h3-4H2,1-2H3",53.87749,38.76988,
6434,[C:1]([C:2]([C@@:3]1([C:4]([H:12])([H:13])[H:14])[C:5]([H:15])([H:16])[O:6]1)([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([H:10])([H:11])[H:15])([H:7])([H:8])[H:9].[C:3]([C:4]([H:12])([H:13])[H:14])(=[C+:5][H:16])[O-:6],"InChI=1S/C5H10O/c1-3-5(2)4-6-5/h3-4H2,1-2H3/t5-/m0/s1","InChI=1S/C3H4O.C2H6/c1-3(2)4;1-2/h1H,2H3;1-2H3",107.77615,63.07471999999999,
6435,[C:1]([C:2]([C@@:3]1([C:4]([H:12])([H:13])[H:14])[C:5]([H:15])([H:16])[O:6]1)([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:5]([O+:6]=[C-:3][C:4]([H:12])([H:13])[H:14])([H:15])[H:16])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-3-5(2)4-6-5/h3-4H2,1-2H3/t5-/m0/s1","InChI=1S/C5H10O/c1-3-5-6-4-2/h3,5H2,1-2H3",98.29678,42.97518,
6436,[C:1]([C:2]([C@@:3]1([C:4]([H:12])([H:13])[H:14])[C:5]([H:15])([H:16])[O:6]1)([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3][C:5]([O:6][C:4]([H:12])([H:13])[H:14])([H:15])[H:16])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-3-5(2)4-6-5/h3-4H2,1-2H3/t5-/m0/s1","InChI=1S/C5H10O/c1-3-4-5-6-2/h3,5H2,1-2H3",101.55490999999999,82.41926,
6437,[C:1]([C:2]([C@@:3]1([C:4]([H:12])([H:13])[H:14])[C:5]([H:15])([H:16])[O:6]1)([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C@@:3]1([C:4]([H:12])([H:13])[H:14])[C-:5]=[O+:6]1)([H:10])[H:11])([H:7])([H:8])[H:9].[H:15][H:16],"InChI=1S/C5H10O/c1-3-5(2)4-6-5/h3-4H2,1-2H3/t5-/m0/s1","InChI=1S/C5H8O.H2/c1-3-5(2)4-6-5;/h3H2,1-2H3;1H/t5-;/m0./s1",79.91093000000001,64.58219,
6438,[C:1]([C:2]([C@@:3]1([C:4]([H:12])([H:13])[H:14])[C:5]([H:15])([H:16])[O:6]1)([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C-:3]=[O+:6][C:5]([C:4]([H:12])([H:13])[H:14])([H:15])[H:16])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-3-5(2)4-6-5/h3-4H2,1-2H3/t5-/m0/s1","InChI=1S/C5H10O/c1-3-5-6-4-2/h3-4H2,1-2H3",97.50639,43.238009999999996,
6439,[N:1]([C:2](=[O:3])[C:4]([O:5][H:10])([H:8])[H:9])([H:6])[H:7],[N:1](=[C:2](/[O:3][H:7])[C:4]([O:5][H:10])([H:8])[H:9])\[H:6],"InChI=1S/C2H5NO2/c3-2(5)1-4/h4H,1H2,(H2,3,5)","InChI=1S/C2H5NO2/c3-2(5)1-4/h4H,1H2,(H2,3,5)",41.96983,9.766910000000001,ketoenol
6440,[N:1]([C:2](=[O:3])[C:4]([O:5][H:10])([H:8])[H:9])([H:6])[H:7],[H:8][H:10].[N:1]([C:2](=[O:3])[C:4](=[O:5])[H:9])([H:6])[H:7],"InChI=1S/C2H5NO2/c3-2(5)1-4/h4H,1H2,(H2,3,5)","InChI=1S/C2H3NO2.H2/c3-2(5)1-4;/h1H,(H2,3,5);1H",82.46176,20.54831,
6441,[N:1]([C:2](=[O:3])[C:4]([O:5][H:10])([H:8])[H:9])([H:6])[H:7],[N:1]([C-:2]=[O+:3][C:4]([O:5][H:10])([H:8])[H:9])([H:6])[H:7],"InChI=1S/C2H5NO2/c3-2(5)1-4/h4H,1H2,(H2,3,5)","InChI=1S/C2H5NO2/c3-1-5-2-4/h4H,2-3H2",91.96661,47.0742,
6442,[N:1]([C:2](=[O:3])[C:4]([O:5][H:10])([H:8])[H:9])([H:6])[H:7],[N:1](=[C:2]1\[O:3][C:4]1([H:8])[H:9])\[H:6].[O:5]([H:7])[H:10],"InChI=1S/C2H5NO2/c3-2(5)1-4/h4H,1H2,(H2,3,5)","InChI=1S/C2H3NO.H2O/c3-2-1-4-2;/h3H,1H2;1H2/b3-2-;",51.10794,48.498290000000004,
6443,[N:1]([C:2](=[O:3])[C:4]([O:5][H:10])([H:8])[H:9])([H:6])[H:7],[N+:1]([C:2]([O-:3])=[C:4]([O:5][H:10])[H:9])([H:6])([H:7])[H:8],"InChI=1S/C2H5NO2/c3-2(5)1-4/h4H,1H2,(H2,3,5)","InChI=1S/C2H5NO2/c3-2(5)1-4/h1,4-5H,3H2",75.34433,38.05233,
6444,[N:1]([C:2](=[O:3])[C:4]([O:5][H:10])([H:8])[H:9])([H:6])[H:7],[N:1](/[C:2]([O:3][H:8])=[C:4](\[O:5][H:10])[H:9])([H:6])[H:7],"InChI=1S/C2H5NO2/c3-2(5)1-4/h4H,1H2,(H2,3,5)","InChI=1S/C2H5NO2/c3-2(5)1-4/h1,4-5H,3H2/b2-1+",63.92171999999999,22.98067,ketoenol
6445,[N:1]([C:2](=[O:3])[C:4]([O:5][H:10])([H:8])[H:9])([H:6])[H:7],[C:4]([O:5][H:10])([H:7])([H:8])[H:9].[N:1](=[C:2]=[O:3])[H:6],"InChI=1S/C2H5NO2/c3-2(5)1-4/h4H,1H2,(H2,3,5)","InChI=1S/CHNO.CH4O/c2-1-3;1-2/h2H;2H,1H3",78.21382,14.35149,
6446,[N:1]([C:2](=[O:3])[C:4]([O:5][H:10])([H:8])[H:9])([H:6])[H:7],[N:1]([C@:2]1([O:3][H:10])[C:4]([H:8])([H:9])[O:5]1)([H:6])[H:7],"InChI=1S/C2H5NO2/c3-2(5)1-4/h4H,1H2,(H2,3,5)","InChI=1S/C2H5NO2/c3-2(4)1-5-2/h4H,1,3H2/t2-/m0/s1",43.802640000000004,34.47741,
6447,[N:1]([C:2](=[O:3])[C:4]([O:5][H:10])([H:8])[H:9])([H:6])[H:7],[H:6][H:8].[N:1](=[C:2]1\[O:3][C@:4]1([O:5][H:10])[H:9])\[H:7],"InChI=1S/C2H5NO2/c3-2(5)1-4/h4H,1H2,(H2,3,5)",InChI=1S/C2H3NO2.H2/c3-1-2(4)5-1;/h2-4H;1H/b3-1-;/t2-;/m1./s1,77.30027,58.81649,
6448,[N:1]([C:2](=[O:3])[C:4]([O:5][H:10])([H:8])[H:9])([H:6])[H:7],[C-:2]#[O+:3].[C:4](=[O:5])([H:8])[H:9].[N:1]([H:6])([H:7])[H:10],"InChI=1S/C2H5NO2/c3-2(5)1-4/h4H,1H2,(H2,3,5)",InChI=1S/CH2O.CO.H3N/c2*1-2;/h1H2;;1H3,44.09582,33.45254,
6449,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[O:5][C:6]1([H:11])[H:12],[O:1]=[C:2]([C:3]([H:7])([H:8])[H:10])[C:6]([O+:5]=[C-:4][H:9])([H:11])[H:12],InChI=1S/C4H6O2/c5-4-1-2-6-3-4/h1-3H2,"InChI=1S/C4H6O2/c1-4(5)3-6-2/h2H,3H2,1H3",75.54321,65.10792,
6450,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[O:5][C:6]1([H:11])[H:12],[O:1]=[C:2]([C:6]([O:5][C:4](=[C:3]([H:7])[H:8])[H:10])([H:11])[H:12])[H:9],InChI=1S/C4H6O2/c5-4-1-2-6-3-4/h1-3H2,"InChI=1S/C4H6O2/c1-2-6-4-3-5/h2-3H,1,4H2",67.05611999999999,16.79796,
6451,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[O:5][C:6]1([H:11])[H:12],[O:1]1[C:2](=[C:6]([H:11])[H:12])[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[O:5]1,InChI=1S/C4H6O2/c5-4-1-2-6-3-4/h1-3H2,InChI=1S/C4H6O2/c1-4-2-3-5-6-4/h1-3H2,85.21451,62.37826,ketoenol
6452,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[O:5][C:6]1([H:11])[H:12],[C:4](=[O:5])([H:9])[H:10].[O:1]1[C:2](=[C:3]([H:7])[H:8])[C:6]1([H:11])[H:12],InChI=1S/C4H6O2/c5-4-1-2-6-3-4/h1-3H2,InChI=1S/C3H4O.CH2O/c1-3-2-4-3;1-2/h1-2H2;1H2,67.92504,53.875280000000004,
6453,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[O:5][C:6]1([H:11])[H:12],[C:3](=[C:4]([H:9])[H:10])([H:7])[H:8].[O+:1]#[C-:2].[O:5]=[C:6]([H:11])[H:12],InChI=1S/C4H6O2/c5-4-1-2-6-3-4/h1-3H2,InChI=1S/C2H4.CH2O.CO/c3*1-2/h1-2H2;1H2;,45.84617,28.57612,
6454,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[O:5][C:6]1([H:11])[H:12],[O:1]=[C:2]=[C:3]([C:4]([O:5][C:6]([H:7])([H:11])[H:12])([H:9])[H:10])[H:8],InChI=1S/C4H6O2/c5-4-1-2-6-3-4/h1-3H2,"InChI=1S/C4H6O2/c1-6-4-2-3-5/h2H,4H2,1H3",75.98487,16.29609,
6455,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[O:5][C:6]1([H:11])[H:12],[O:1]=[C:2]([C:3](=[C:4]([H:9])[H:10])[H:7])[C:6]([O:5][H:8])([H:11])[H:12],InChI=1S/C4H6O2/c5-4-1-2-6-3-4/h1-3H2,"InChI=1S/C4H6O2/c1-2-4(6)3-5/h2,5H,1,3H2",64.06616,6.31061,
6456,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[O:5][C:6]1([H:11])[H:12],[O:1]([C:2]1=[C:3]([H:7])[C:4]([H:9])([H:10])[O:5][C:6]1([H:11])[H:12])[H:8],InChI=1S/C4H6O2/c5-4-1-2-6-3-4/h1-3H2,"InChI=1S/C4H6O2/c5-4-1-2-6-3-4/h1,5H,2-3H2",70.88818,9.59398,ketoenol
6457,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[O:5][C:6]1([H:11])[H:12],[H:7][H:11].[O-:1][C:2]1=[C:3]([H:8])[C:4]([H:9])([H:10])[O+:5]=[C:6]1[H:12],InChI=1S/C4H6O2/c5-4-1-2-6-3-4/h1-3H2,"InChI=1S/C4H4O2.H2/c5-4-1-2-6-3-4;/h1,3H,2H2;1H",89.43585999999999,50.2532,
6458,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[O:5][C:6]1([H:11])[H:12],[O:1]1[C@@:2]2([H:12])[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[O:5][C@@:6]12[H:11],InChI=1S/C4H6O2/c5-4-1-2-6-3-4/h1-3H2,"InChI=1S/C4H6O2/c1-2-5-4-3(1)6-4/h3-4H,1-2H2/t3-,4-/m0/s1",57.36897,19.77091,
6459,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[O:5][C:6]1([H:11])[H:12],[H:8][H:9].[O:1]=[C:2]1[C:3]([H:7])=[C:4]([H:10])[O:5][C:6]1([H:11])[H:12],InChI=1S/C4H6O2/c5-4-1-2-6-3-4/h1-3H2,"InChI=1S/C4H4O2.H2/c5-4-1-2-6-3-4;/h1-2H,3H2;1H",86.38593,14.822070000000002,
6460,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[O:5][C:6]1([H:11])[H:12],[O:1]1[C@:2]2([C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[O:5]2)[C:6]1([H:11])[H:12],InChI=1S/C4H6O2/c5-4-1-2-6-3-4/h1-3H2,InChI=1S/C4H6O2/c1-2-5-4(1)3-6-4/h1-3H2/t4-/m1/s1,77.37314,35.90679,
6461,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[O:5][C:6]1([H:11])[H:12],[O:1]([C:2]([C:3]([C:4](=[O:5])[H:9])([H:7])[H:8])=[C:6]([H:11])[H:12])[H:10],InChI=1S/C4H6O2/c5-4-1-2-6-3-4/h1-3H2,"InChI=1S/C4H6O2/c1-4(6)2-3-5/h3,6H,1-2H2",78.92506999999999,0.35385,
6462,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[O:5][C:6]1([H:11])[H:12],[H:9][H:12].[O-:1][C:2]1=[C:6]([H:11])[O+:5]=[C:4]([H:10])[C:3]1([H:7])[H:8],InChI=1S/C4H6O2/c5-4-1-2-6-3-4/h1-3H2,"InChI=1S/C4H4O2.H2/c5-4-1-2-6-3-4;/h2-3H,1H2;1H",58.199009999999994,51.09174,
6463,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[O:5][C:6]1([H:11])[H:12],[O:1]([C:2]1=[C:6]([H:11])[O:5][C:4]([H:9])([H:10])[C:3]1([H:7])[H:8])[H:12],InChI=1S/C4H6O2/c5-4-1-2-6-3-4/h1-3H2,"InChI=1S/C4H6O2/c5-4-1-2-6-3-4/h3,5H,1-2H2",71.40567,10.95451,ketoenol
6464,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[O:5][C:6]1([H:11])[H:12],[H:9][H:10].[O:1]=[C:2]1[C:3]([H:7])([H:8])[C-:4]=[O+:5][C:6]1([H:11])[H:12],InChI=1S/C4H6O2/c5-4-1-2-6-3-4/h1-3H2,"InChI=1S/C4H4O2.H2/c5-4-1-2-6-3-4;/h1,3H2;1H",75.71508,69.1528,
6465,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[O:5][C:6]1([H:11])[H:12],[O:1]1[C:2](=[C:3]([H:7])[H:8])[C:6]([H:11])([H:12])[O:5][C:4]1([H:9])[H:10],InChI=1S/C4H6O2/c5-4-1-2-6-3-4/h1-3H2,InChI=1S/C4H6O2/c1-4-2-5-3-6-4/h1-3H2,64.12657,14.22525,ketoenol
6466,[C:1](#[C:2][C:3]#[N:4])[C:5]#[N:6],[C:1]([C:2]#[C+:3])#[C:5][N:6]=[N-:4],InChI=1S/C4N2/c5-3-1-2-4-6,InChI=1S/C4N2/c1-2-3-4-6-5,134.4015,87.01104000000001,ketoenol
6467,[C:1](#[C:2][C:3]#[N:4])[C:5]#[N:6],[C:1](#[C-:2])[C:5]#[N+:6][C:3]#[N:4],InChI=1S/C4N2/c5-3-1-2-4-6,InChI=1S/C4N2/c1-2-3-6-4-5,125.66873999999999,59.8739,
6468,[C:1](#[C:2][C:3]#[N:4])[C:5]#[N:6],[C:1](=[C:2])([C:3]#[N:4])[C:5]#[N:6],InChI=1S/C4N2/c5-3-1-2-4-6,InChI=1S/C4N2/c1-4(2-5)3-6,63.831669999999995,69.65211,
6469,[C:1](#[C:2][C:3]#[N:4])[C:5]#[N:6],[C:1]1([C:5]#[N:6])=[N:4][C:3]#[C:2]1,InChI=1S/C4N2/c5-3-1-2-4-6,InChI=1S/C4N2/c5-3-4-1-2-6-4,108.75963999999999,106.04565,
6470,[C:1](#[C:2][C:3]#[N:4])[C:5]#[N:6],[C:1](=[C-:2])([N+:4]#[C:3])[C:5]#[N:6],InChI=1S/C4N2/c5-3-1-2-4-6,InChI=1S/C4N2/c1-4(3-5)6-2,100.79696,97.94438000000001,
6471,[O:1]([C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[O:5]1)([H:7])[H:8])[H:6],[O:1]=[C:2]([C:3]([C:4]([O:5][H:6])([H:10])[H:11])([H:8])[H:9])[H:7],"InChI=1S/C3H6O2/c4-1-3-2-5-3/h3-4H,1-2H2/t3-/m0/s1","InChI=1S/C3H6O2/c4-2-1-3-5/h2,5H,1,3H2",40.55205,-23.303810000000002,
6472,[O:1]([C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[O:5]1)([H:7])[H:8])[H:6],[O:1]([C:2]([C:3]([O+:5]=[C-:4][H:11])([H:9])[H:10])([H:7])[H:8])[H:6],"InChI=1S/C3H6O2/c4-1-3-2-5-3/h3-4H,1-2H2/t3-/m0/s1","InChI=1S/C3H6O2/c1-5-3-2-4/h1,4H,2-3H2",75.82695,48.43091,
6473,[O:1]([C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[O:5]1)([H:7])[H:8])[H:6],[O:1]([C:2]([C:3][C:4]([O:5][H:9])([H:10])[H:11])([H:7])[H:8])[H:6],"InChI=1S/C3H6O2/c4-1-3-2-5-3/h3-4H,1-2H2/t3-/m0/s1","InChI=1S/C3H6O2/c4-2-1-3-5/h4-5H,2-3H2",66.19216999999999,63.843540000000004,
6474,[O:1]([C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[O:5]1)([H:7])[H:8])[H:6],[C:2](=[C:3]1[C:4]([H:10])([H:11])[O:5]1)([H:7])[H:8].[O:1]([H:6])[H:9],"InChI=1S/C3H6O2/c4-1-3-2-5-3/h3-4H,1-2H2/t3-/m0/s1",InChI=1S/C3H4O.H2O/c1-3-2-4-3;/h1-2H2;1H2,73.14734,16.348029999999998,"1,3_Insertion_ROR"
6475,[O:1]([C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[O:5]1)([H:7])[H:8])[H:6],[C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[O:5]1)[H:8].[O:1]([H:6])[H:7],"InChI=1S/C3H6O2/c4-1-3-2-5-3/h3-4H,1-2H2/t3-/m0/s1","InChI=1S/C3H4O.H2O/c1-3-2-4-3;/h1,3H,2H2;1H2/t3-;/m0./s1",76.58991999999999,89.77067,
6476,[O:1]([C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[O:5]1)([H:7])[H:8])[H:6],[O:1]([C:2]([C-:3]=[O+:5][C:4]([H:9])([H:10])[H:11])([H:7])[H:8])[H:6],"InChI=1S/C3H6O2/c4-1-3-2-5-3/h3-4H,1-2H2/t3-/m0/s1","InChI=1S/C3H6O2/c1-5-3-2-4/h4H,2H2,1H3",71.33995999999999,40.41199,
6477,[O:1]([C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[O:5]1)([H:7])[H:8])[H:6],[O:1]([C:2]([O:5][C:4]([C:3][H:9])([H:10])[H:11])([H:7])[H:8])[H:6],"InChI=1S/C3H6O2/c4-1-3-2-5-3/h3-4H,1-2H2/t3-/m0/s1","InChI=1S/C3H6O2/c1-2-5-3-4/h1,4H,2-3H2",93.99517,77.37576,
6478,[O:1]([C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[O:5]1)([H:7])[H:8])[H:6],[O:1]([C:2]([C:3](=[O+:5][C-:4]([H:10])[H:11])[H:9])([H:7])[H:8])[H:6],"InChI=1S/C3H6O2/c4-1-3-2-5-3/h3-4H,1-2H2/t3-/m0/s1","InChI=1S/C3H6O2/c1-5-3-2-4/h3-4H,1-2H2",54.29914,43.105909999999994,
6479,[O:1]([C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[O:5]1)([H:7])[H:8])[H:6],[C:3](=[C+:4][H:11])([O-:5])[H:9].[O:1]([C:2]([H:7])([H:8])[H:10])[H:6],"InChI=1S/C3H6O2/c4-1-3-2-5-3/h3-4H,1-2H2/t3-/m0/s1","InChI=1S/C2H2O.CH4O/c1-2-3;1-2/h1-2H;2H,1H3",115.64325,74.84148,
6480,[O:1]([C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[O:5]1)([H:7])[H:8])[H:6],[O:1]([C:2]([C@@:3]([C:4][H:10])([O:5][H:11])[H:9])([H:7])[H:8])[H:6],"InChI=1S/C3H6O2/c4-1-3-2-5-3/h3-4H,1-2H2/t3-/m0/s1","InChI=1S/C3H6O2/c1-3(5)2-4/h1,3-5H,2H2/t3-/m1/s1",70.8708,70.18939,
6481,[O:1]([C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[O:5]1)([H:7])[H:8])[H:6],[O:1]1[C:2]([H:7])([H:8])[C:3]([O:5][H:6])([H:9])[C:4]1([H:10])[H:11],"InChI=1S/C3H6O2/c4-1-3-2-5-3/h3-4H,1-2H2/t3-/m0/s1","InChI=1S/C3H6O2/c4-3-1-5-2-3/h3-4H,1-2H2",59.00017,1.40478,
6482,[O:1]([C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[O:5]1)([H:7])[H:8])[H:6],[O:1]([C@@:3]1([C:2]([H:7])([H:8])[H:9])[C:4]([H:10])([H:11])[O:5]1)[H:6],"InChI=1S/C3H6O2/c4-1-3-2-5-3/h3-4H,1-2H2/t3-/m0/s1","InChI=1S/C3H6O2/c1-3(4)2-5-3/h4H,2H2,1H3/t3-/m1/s1",96.84548000000001,-8.86471,
6483,[O:1]([C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[O:5]1)([H:7])[H:8])[H:6],[H:6][H:7].[O:1]=[C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[O:5]1)[H:8],"InChI=1S/C3H6O2/c4-1-3-2-5-3/h3-4H,1-2H2/t3-/m0/s1","InChI=1S/C3H4O2.H2/c4-1-3-2-5-3;/h1,3H,2H2;1H/t3-;/m0./s1",83.43135,23.1032,
6484,[O:1]([C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[O:5]1)([H:7])[H:8])[H:6],[O:1]([C:4]([O:5][C:3](=[C:2]([H:7])[H:8])[H:9])([H:10])[H:11])[H:6],"InChI=1S/C3H6O2/c4-1-3-2-5-3/h3-4H,1-2H2/t3-/m0/s1","InChI=1S/C3H6O2/c1-2-5-3-4/h2,4H,1,3H2",67.20036999999999,-10.37696,
6485,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14],[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C@:5]1([C:6]([H:11])([H:13])[H:14])[H:12],InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1-4H2,"InChI=1S/C5H8O/c1-4-2-3-5(4)6/h4H,2-3H2,1H3/t4-/m1/s1",105.93453999999998,16.09679,
6486,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14],[O:1]=[C:2]([C:3](=[C:4]([H:9])[H:10])[H:7])[C:6]([C:5]([H:8])([H:11])[H:12])([H:13])[H:14],InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1-4H2,"InChI=1S/C5H8O/c1-3-5(6)4-2/h3H,1,4H2,2H3",105.81393999999999,13.73068,
6487,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14],[O:1]=[C:2]=[C:6]([C:5]([C:4]([C:3]([H:7])([H:8])[H:14])([H:9])[H:10])([H:11])[H:12])[H:13],InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1-4H2,"InChI=1S/C5H8O/c1-2-3-4-5-6/h4H,2-3H2,1H3",76.71600000000001,16.18906,
6488,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14],[O-:1][C:2]([C:3]([C:4]([C:5]([H:11])([H:12])[H:13])([H:9])[H:10])([H:7])[H:8])=[C+:6][H:14],InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1-4H2,"InChI=1S/C5H8O/c1-3-4-5(2)6/h2H,3-4H2,1H3",80.32169,82.98715,
6489,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14],[O:1]1/[C:2](=[C:6](/[C:5]([C:4]([H:9])([H:10])[H:13])([H:11])[H:12])[H:14])[C:3]1([H:7])[H:8],InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1-4H2,"InChI=1S/C5H8O/c1-2-3-5-4-6-5/h3H,2,4H2,1H3/b5-3+",109.94608999999998,46.14502,
6490,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14],[O:1]=[C:2]([C:3]([C:4]([C:5](=[C:6]([H:13])[H:14])[H:11])([H:9])[H:10])([H:7])[H:8])[H:12],InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1-4H2,"InChI=1S/C5H8O/c1-2-3-4-5-6/h2,5H,1,3-4H2",79.47867,21.61453,
6491,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14],[O:1]1[C@:2]2([H:7])[C@@:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C:6]2([H:13])[H:14],InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1-4H2,"InChI=1S/C5H8O/c1-2-4-5(3-1)6-4/h4-5H,1-3H2/t4-,5+",77.64631,25.82916,
6492,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14],[O:1]([C:2]1=[C:6]([H:13])[C:5]([H:11])([H:12])[C:4]([H:9])([H:10])[C:3]1([H:7])[H:8])[H:14],InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1-4H2,"InChI=1S/C5H8O/c6-5-3-1-2-4-5/h3,6H,1-2,4H2",68.53183,9.51495,ketoenol
6493,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14],[O:1]([C+:2]1[C:3]([H:7])([H:8])[C-:4]([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])[H:9],InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1-4H2,"InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1,6H,2-4H2",101.8833,92.73735,
6494,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14],[O:1]1[C:2](=[C:6]([H:13])[H:14])[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C:5]1([H:11])[H:12],InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1-4H2,InChI=1S/C5H8O/c1-5-3-2-4-6-5/h1-4H2,100.97178000000001,17.444370000000003,ketoenol
6495,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14],[H:12][H:13].[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])=[C:6]1[H:14],InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1-4H2,"InChI=1S/C5H6O.H2/c6-5-3-1-2-4-5;/h1,3H,2,4H2;1H",92.21511,23.25127,
6496,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14],[C:3](=[C:4]([H:9])[H:10])([H:7])[H:8].[C:5](=[C:6]([H:13])[H:14])([H:11])[H:12].[O+:1]#[C-:2],InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1-4H2,InChI=1S/2C2H4.CO/c3*1-2/h2*1-2H2;,66.62533,44.85757,
6497,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14],[H:10][H:11].[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])=[C:5]([H:12])[C:6]1([H:13])[H:14],InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1-4H2,"InChI=1S/C5H6O.H2/c6-5-3-1-2-4-5;/h1-2H,3-4H2;1H",108.28595,28.17615,
6498,[O:1]=[C:2]([C:3]#[C:4][H:7])[C:5]#[N:6],[O:1]=[C:4]([C:3]#[C:2][C:5]#[N:6])[H:7],InChI=1S/C4HNO/c1-2-4(6)3-5/h1H,InChI=1S/C4HNO/c5-3-1-2-4-6/h4H,72.21129,-6.85058,
6499,[O:1]=[C:2]([C:3]#[C:4][H:7])[C:5]#[N:6],[O:1]=[C:2]=[C:5]=[N:6][C:3]#[C:4][H:7],InChI=1S/C4HNO/c1-2-4(6)3-5/h1H,InChI=1S/C4HNO/c1-2-5-3-4-6/h1H,100.18311,34.45176,
6500,[O:1]=[C:2]([C:3]#[C:4][H:7])[C:5]#[N:6],[O:1]=[C:2]=[C:5]=[N:6][C:4](=[C:3])[H:7],InChI=1S/C4HNO/c1-2-4(6)3-5/h1H,InChI=1S/C4HNO/c1-2-5-3-4-6/h2H,100.72068,89.26576,
6501,[O:1]=[C:2]([C:3]#[C:4][H:7])[C:5]#[N:6],[O:1]=[C:2]([C:3]#[C:4][H:7])[N+:6]#[C-:5],InChI=1S/C4HNO/c1-2-4(6)3-5/h1H,InChI=1S/C4HNO/c1-3-4(6)5-2/h1H,44.4513,18.025570000000002,
6502,[O:1]=[C:2]([C:3]#[C:4][H:7])[C:5]#[N:6],[O:1]=[C:2]=[C:3]=[C:4]([C:5]#[N:6])[H:7],InChI=1S/C4HNO/c1-2-4(6)3-5/h1H,InChI=1S/C4HNO/c5-3-1-2-4-6/h1H,64.52298,-13.19744,
6503,[O:1]=[C:2]([C:3]#[C:4][H:7])[C:5]#[N:6],[O:1]=[C:2]=[C:3]=[C:4]([N+:6]#[C-:5])[H:7],InChI=1S/C4HNO/c1-2-4(6)3-5/h1H,InChI=1S/C4HNO/c1-5-3-2-4-6/h3H,64.51521,9.6414,
6504,[O:1]=[C:2]([C:3]#[C:4][H:7])[C:5]#[N:6],[O+:1](=[C-:2][C:3]#[C:4][H:7])[C:5]#[N:6],InChI=1S/C4HNO/c1-2-4(6)3-5/h1H,InChI=1S/C4HNO/c1-2-3-6-4-5/h1H,87.06808000000001,69.70286,
6505,[O:1]=[C:2]([C:3]#[C:4][H:7])[C:5]#[N:6],[O:1]=[C:2]([C:3](=[C:4])[H:7])[C:5]#[N:6],InChI=1S/C4HNO/c1-2-4(6)3-5/h1H,InChI=1S/C4HNO/c1-2-4(6)3-5/h2H,45.02189,48.37648,Singlet_Carbene_Intra_Disproportionation
6506,[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([O:4][H:13])[C:5](=[O:6])[H:14])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]([H:11])[H:12])[O:4][H:13])([H:7])([H:8])[H:9].[C:5](=[O:6])([H:10])[H:14],"InChI=1S/C4H8O2/c1-4(2,6)3-5/h3,6H,1-2H3","InChI=1S/C3H6O.CH2O/c1-3(2)4;1-2/h4H,1H2,2H3;1H2",66.87915,25.571270000000002,
6507,[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([O:4][H:13])[C:5](=[O:6])[H:14])([H:7])([H:8])[H:9],[C:1]([C:2](=[O:4])[C@:5]([C:3]([H:10])([H:11])[H:12])([O:6][H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-4(2,6)3-5/h3,6H,1-2H3","InChI=1S/C4H8O2/c1-3(5)4(2)6/h3,5H,1-2H3/t3-/m0/s1",35.13698,-4.23953,
6508,[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([O:4][H:13])[C:5](=[O:6])[H:14])([H:7])([H:8])[H:9],[C:1](=[C:2]([C:3]([H:10])([H:11])[H:12])[C:5](=[O:6])[H:14])([H:8])[H:9].[O:4]([H:7])[H:13],"InChI=1S/C4H8O2/c1-4(2,6)3-5/h3,6H,1-2H3","InChI=1S/C4H6O.H2O/c1-4(2)3-5;/h3H,1H2,2H3;1H2",59.764269999999996,14.443,"1,3_Insertion_ROR"
6509,[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([O:4][H:13])[C:5](=[O:6])[H:14])([H:7])([H:8])[H:9],[C:1]([C:2]1([C:3]([H:10])([H:11])[H:12])[O:4][C@@:5]1([O:6][H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-4(2,6)3-5/h3,6H,1-2H3","InChI=1S/C4H8O2/c1-4(2)3(5)6-4/h3,5H,1-2H3/t3-/m0/s1",47.20552,15.86254,
6510,[O:1]([C:2]([C@@:3]1([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6]1)([H:8])[H:9])[H:7],[O:1]([C@@:3]1([C:2]([H:8])([H:9])[H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6]1)[H:7],"InChI=1S/C4H8O2/c5-3-4-1-2-6-4/h4-5H,1-3H2/t4-/m1/s1","InChI=1S/C4H8O2/c1-4(5)2-3-6-4/h5H,2-3H2,1H3/t4-/m1/s1",84.71351,-10.65281,
6511,[O:1]([C:2]([C@@:3]1([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6]1)([H:8])[H:9])[H:7],[C:2](=[C:3]1[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6]1)([H:8])[H:9].[O:1]([H:7])[H:10],"InChI=1S/C4H8O2/c5-3-4-1-2-6-4/h4-5H,1-3H2/t4-/m1/s1",InChI=1S/C4H6O.H2O/c1-4-2-3-5-4;/h1-3H2;1H2,68.96722,7.503660000000001,"1,3_Insertion_ROR"
6512,[O:1]([C:2]([C@@:3]1([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6]1)([H:8])[H:9])[H:7],[C:2]1([H:8])([H:9])[C@@:3]2([H:10])[C@:4]1([H:11])[C:5]([H:13])([H:14])[O:6]2.[O:1]([H:7])[H:12],"InChI=1S/C4H8O2/c5-3-4-1-2-6-4/h4-5H,1-3H2/t4-/m1/s1","InChI=1S/C4H6O.H2O/c1-3-2-5-4(1)3;/h3-4H,1-2H2;1H2/t3-,4-;/m0./s1",88.20934,28.27481,
6513,[O:1]([C:2]([C@@:3]1([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6]1)([H:8])[H:9])[H:7],[H:9][H:11].[O:1]([C@:2]1([H:8])[C@@:3]2([H:10])[C@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]2)[H:7],"InChI=1S/C4H8O2/c5-3-4-1-2-6-4/h4-5H,1-3H2/t4-/m1/s1","InChI=1S/C4H6O2.H2/c5-3-2-1-6-4(2)3;/h2-5H,1H2;1H/t2-,3+,4-;/m1./s1",98.70461999999999,44.21997,
6514,[O:1]([C:2]([C@@:3]1([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6]1)([H:8])[H:9])[H:7],[O:1]([C:2]([C@@:3]([C:4]([H:11])([H:12])[H:13])([O+:6]=[C-:5][H:14])[H:10])([H:8])[H:9])[H:7],"InChI=1S/C4H8O2/c5-3-4-1-2-6-4/h4-5H,1-3H2/t4-/m1/s1","InChI=1S/C4H8O2/c1-4(3-5)6-2/h2,4-5H,3H2,1H3/t4-/m1/s1",78.46665,46.82227,
6515,[O:1]([C:2]([C@@:3]1([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6]1)([H:8])[H:9])[H:7],[O:1]([C:2]([C:3]([O:6][C:5]([C:4][H:11])([H:13])[H:14])([H:10])[H:12])([H:8])[H:9])[H:7],"InChI=1S/C4H8O2/c5-3-4-1-2-6-4/h4-5H,1-3H2/t4-/m1/s1","InChI=1S/C4H8O2/c1-2-6-4-3-5/h1,5H,2-4H2",85.24891,83.37561,
6516,[O:1]([C:2]([C@@:3]1([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6]1)([H:8])[H:9])[H:7],[O:1]1[C:2]([H:8])([H:9])[C@:3]1([C:4]([C:5]([O:6][H:7])([H:13])[H:14])([H:11])[H:12])[H:10],"InChI=1S/C4H8O2/c5-3-4-1-2-6-4/h4-5H,1-3H2/t4-/m1/s1","InChI=1S/C4H8O2/c5-2-1-4-3-6-4/h4-5H,1-3H2/t4-/m1/s1",47.262440000000005,4.63287,
6517,[O:1]([C:2]([C@@:3]1([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6]1)([H:8])[H:9])[H:7],[O:1]=[C:2]([C:3]([C:4]([C:5]([O:6][H:7])([H:13])[H:14])([H:11])[H:12])([H:9])[H:10])[H:8],"InChI=1S/C4H8O2/c5-3-4-1-2-6-4/h4-5H,1-3H2/t4-/m1/s1","InChI=1S/C4H8O2/c5-3-1-2-4-6/h3,6H,1-2,4H2",43.40285,-20.796770000000002,
6518,[O:1]([C:2]([C@@:3]1([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6]1)([H:8])[H:9])[H:7],[O:1]([C:2]([O:6][C:5]([C:4]([C:3][H:10])([H:11])[H:12])([H:13])[H:14])([H:8])[H:9])[H:7],"InChI=1S/C4H8O2/c5-3-4-1-2-6-4/h4-5H,1-3H2/t4-/m1/s1","InChI=1S/C4H8O2/c1-2-3-6-4-5/h1,5H,2-4H2",100.89455,82.71658000000001,
6519,[O:1]([C:2]([C@@:3]1([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6]1)([H:8])[H:9])[H:7],[C:4](=[C:5]([H:13])[H:14])([H:11])[H:12].[O:1]([C:2]([C:3](=[O:6])[H:10])([H:8])[H:9])[H:7],"InChI=1S/C4H8O2/c5-3-4-1-2-6-4/h4-5H,1-3H2/t4-/m1/s1","InChI=1S/C2H4O2.C2H4/c3-1-2-4;1-2/h1,4H,2H2;1-2H2",52.42351,3.26781,2+2_cycloaddition
6520,[O:1]([C:2]([C@@:3]1([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6]1)([H:8])[H:9])[H:7],[C:2]1([H:8])([H:9])[C@@:3]2([H:10])[C:4]([H:11])([H:12])[C@:5]1([H:14])[O:6]2.[O:1]([H:7])[H:13],"InChI=1S/C4H8O2/c5-3-4-1-2-6-4/h4-5H,1-3H2/t4-/m1/s1","InChI=1S/C4H6O.H2O/c1-3-2-4(1)5-3;/h3-4H,1-2H2;1H2/t3-,4+;",90.00865,42.6573,
6521,[O:1]([C:2]([C@@:3]1([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6]1)([H:8])[H:9])[H:7],[C:5](=[O:6])([H:13])[H:14].[O:1](/[C:2](=[C:3](\[C:4]([H:9])([H:11])[H:12])[H:10])[H:8])[H:7],"InChI=1S/C4H8O2/c5-3-4-1-2-6-4/h4-5H,1-3H2/t4-/m1/s1","InChI=1S/C3H6O.CH2O/c1-2-3-4;1-2/h2-4H,1H3;1H2/b3-2-;",95.34035,2.42394,
6522,[O:1]([C:2]([C@@:3]1([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6]1)([H:8])[H:9])[H:7],[O:1]([C:2](/[C:3](=[C:4](/[C:5]([O:6][H:12])([H:13])[H:14])[H:11])[H:10])([H:8])[H:9])[H:7],"InChI=1S/C4H8O2/c5-3-4-1-2-6-4/h4-5H,1-3H2/t4-/m1/s1","InChI=1S/C4H8O2/c5-3-1-2-4-6/h1-2,5-6H,3-4H2/b2-1+",81.28824,-7.617319999999999,
6523,[O:1]([C:2]([C@@:3]1([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6]1)([H:8])[H:9])[H:7],[C:5](=[O:6])([H:13])[H:14].[O:1]([C:2]([C:3](=[C:4]([H:11])[H:12])[H:10])([H:8])[H:9])[H:7],"InChI=1S/C4H8O2/c5-3-4-1-2-6-4/h4-5H,1-3H2/t4-/m1/s1","InChI=1S/C3H6O.CH2O/c1-2-3-4;1-2/h2,4H,1,3H2;1H2",46.06913,10.54983,2+2_cycloaddition
6524,[O:1]([C:2]([C@@:3]1([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6]1)([H:8])[H:9])[H:7],[O:1]([C:2]([C:4]([C:5]([O+:6]=[C-:3][H:10])([H:13])[H:14])([H:11])[H:12])([H:8])[H:9])[H:7],"InChI=1S/C4H8O2/c5-3-4-1-2-6-4/h4-5H,1-3H2/t4-/m1/s1","InChI=1S/C4H8O2/c1-6-4-2-3-5/h1,5H,2-4H2",110.27605,51.43764,
6525,[O:1]([C:2]([C@@:3]1([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6]1)([H:8])[H:9])[H:7],[O:1]([C:2]([C:3][C:4]([C:5]([O:6][H:10])([H:13])[H:14])([H:11])[H:12])([H:8])[H:9])[H:7],"InChI=1S/C4H8O2/c5-3-4-1-2-6-4/h4-5H,1-3H2/t4-/m1/s1","InChI=1S/C4H8O2/c5-3-1-2-4-6/h5-6H,1,3-4H2",67.76164,62.513130000000004,
6526,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[O:3][C:4]([H:11])=[N:5][C:6]1([H:12])[H:13],[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[O+:3]=[C:4]([H:11])[N:5]([H:12])[C-:6]1[H:13],"InChI=1S/C4H7NO/c1-2-5-4-6-3-1/h4H,1-3H2","InChI=1S/C4H7NO/c1-2-5-4-6-3-1/h2,4-5H,1,3H2",69.54609,42.7163,
6527,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[O:3][C:4]([H:11])=[N:5][C:6]1([H:12])[H:13],[C:1]1([H:7])([H:8])[C-:2]=[O+:3][C:4]([H:11])=[N:5][C:6]1([H:12])[H:13].[H:9][H:10],"InChI=1S/C4H7NO/c1-2-5-4-6-3-1/h4H,1-3H2","InChI=1S/C4H5NO.H2/c1-2-5-4-6-3-1;/h4H,1-2H2;1H",81.92563,80.64726,
6528,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[O:3][C:4]([H:11])=[N:5][C:6]1([H:12])[H:13],[C:1]1([H:7])([H:8])[O:3][C:4]([H:11])=[N:5][C:6]1([H:12])[H:13].[C:2]([H:9])[H:10],"InChI=1S/C4H7NO/c1-2-5-4-6-3-1/h4H,1-3H2","InChI=1S/C3H5NO.CH2/c1-2-5-3-4-1;/h3H,1-2H2;1H2",117.78358999999999,119.37393999999999,
6529,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[O:3][C:4]([H:11])=[N:5][C:6]1([H:12])[H:13],[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[O+:3]=[C-:4][N:5]([H:11])[C:6]1([H:12])[H:13],"InChI=1S/C4H7NO/c1-2-5-4-6-3-1/h4H,1-3H2","InChI=1S/C4H7NO/c1-2-5-4-6-3-1/h5H,1-3H2",70.72065,32.92649,
6530,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[O:3][C:4]([H:11])=[N:5][C:6]1([H:12])[H:13],[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[N:5]([C:4](=[O:3])[H:11])[C:6]1([H:12])[H:13],"InChI=1S/C4H7NO/c1-2-5-4-6-3-1/h4H,1-3H2","InChI=1S/C4H7NO/c6-4-5-2-1-3-5/h4H,1-3H2",63.762319999999995,6.7078,ketoenol
6531,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[O:3][C:4]([H:11])=[N:5][C:6]1([H:12])[H:13],[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[O:3][C@@:4]1([N:5]=[C:6]([H:12])[H:13])[H:11],"InChI=1S/C4H7NO/c1-2-5-4-6-3-1/h4H,1-3H2","InChI=1S/C4H7NO/c1-5-4-2-3-6-4/h4H,1-3H2/t4-/m0/s1",81.3258,32.74134,
6532,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[O:3][C:4]([H:11])=[N:5][C:6]1([H:12])[H:13],[C:1]([C:6](/[N:5]=[C:4](\[O+:3]=[C-:2][H:9])[H:11])([H:12])[H:13])([H:7])([H:8])[H:10],"InChI=1S/C4H7NO/c1-2-5-4-6-3-1/h4H,1-3H2","InChI=1S/C4H7NO/c1-3-5-4-6-2/h2,4H,3H2,1H3/b5-4-",81.25066,79.54048,
6533,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[O:3][C:4]([H:11])=[N:5][C:6]1([H:12])[H:13],[C:1]([C:2]([O:3][H:13])([H:9])[H:10])([C:6](=[N+:5]=[C-:4][H:11])[H:12])([H:7])[H:8],"InChI=1S/C4H7NO/c1-2-5-4-6-3-1/h4H,1-3H2","InChI=1S/C4H7NO/c1-5-3-2-4-6/h1,3,6H,2,4H2",80.3636,45.919109999999996,
6534,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[O:3][C:4]([H:11])=[N:5][C:6]1([H:12])[H:13],[C:1]1([H:7])([H:8])[C-:2]([H:9])[O+:3]=[C:4]([H:11])[N:5]([H:10])[C:6]1([H:12])[H:13],"InChI=1S/C4H7NO/c1-2-5-4-6-3-1/h4H,1-3H2","InChI=1S/C4H7NO/c1-2-5-4-6-3-1/h3-5H,1-2H2",65.62142,54.26758,
6535,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[O:3][C:4]([H:11])=[N:5][C:6]1([H:12])[H:13],[C:1](=[C:2]([H:9])[H:10])([H:7])[H:8].[O:3]=[C:4]([N:5]=[C:6]([H:12])[H:13])[H:11],"InChI=1S/C4H7NO/c1-2-5-4-6-3-1/h4H,1-3H2","InChI=1S/C2H3NO.C2H4/c1-3-2-4;1-2/h2H,1H2;1-2H2",38.004979999999996,29.237509999999997,
6536,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[O:3][C:4]([H:11])=[N:5][C:6]1([H:12])[H:13],[C:1](=[C:6](/[N:5]=[C:4](\[O:3][C:2]([H:7])([H:9])[H:10])[H:11])[H:13])([H:8])[H:12],"InChI=1S/C4H7NO/c1-2-5-4-6-3-1/h4H,1-3H2","InChI=1S/C4H7NO/c1-3-5-4-6-2/h3-4H,1H2,2H3/b5-4-",96.43778,19.06065,
6537,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[O:3][C:4]([H:11])=[N:5][C:6]1([H:12])[H:13],[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[O:3][C:4]([H:11])([H:12])[N:5]=[C:6]1[H:13],"InChI=1S/C4H7NO/c1-2-5-4-6-3-1/h4H,1-3H2","InChI=1S/C4H7NO/c1-2-5-4-6-3-1/h2H,1,3-4H2",87.55201,8.62079,
6538,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[O:3][C:4]([H:11])=[N:5][C:6]1([H:12])[H:13],[C:1]1([H:7])([H:8])[C:4]([H:11])=[N:5][C:6]1([H:12])[H:13].[C:2](=[O:3])([H:9])[H:10],"InChI=1S/C4H7NO/c1-2-5-4-6-3-1/h4H,1-3H2","InChI=1S/C3H5N.CH2O/c1-2-4-3-1;1-2/h2H,1,3H2;1H2",107.03805,46.77533,
6539,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[O:3][C:4]([H:11])=[N:5][C:6]1([H:12])[H:13],[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[O:3][C-:4]=[N+:5]=[C:6]1[H:13].[H:11][H:12],"InChI=1S/C4H7NO/c1-2-5-4-6-3-1/h4H,1-3H2","InChI=1S/C4H5NO.H2/c1-2-5-4-6-3-1;/h2H,1,3H2;1H",96.19063,75.00258000000001,
6540,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[O:3][C:4]([H:11])=[N:5][C:6]1([H:12])[H:13],[C:1]([C:2](=[O:3])[H:10])([C:6]([N:5]=[C:4]([H:9])[H:11])([H:12])[H:13])([H:7])[H:8],"InChI=1S/C4H7NO/c1-2-5-4-6-3-1/h4H,1-3H2","InChI=1S/C4H7NO/c1-5-3-2-4-6/h4H,1-3H2",73.98731,14.006720000000001,
6541,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[O:3][C:4]([H:11])=[N:5][C:6]1([H:12])[H:13],[C:1](=[C:2]([H:9])[H:10])([C:6](/[N:5]=[C:4](\[O:3][H:7])[H:11])([H:12])[H:13])[H:8],"InChI=1S/C4H7NO/c1-2-5-4-6-3-1/h4H,1-3H2","InChI=1S/C4H7NO/c1-2-3-5-4-6/h2,4H,1,3H2,(H,5,6)",66.77378,8.42158,
6542,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[O:3][C:4]([H:11])=[N:5][C:6]1([H:12])[H:13],[C:1]([C:2]([O:3][C:4](=[N+:5]=[C-:6][H:12])[H:11])([H:9])[H:10])([H:7])([H:8])[H:13],"InChI=1S/C4H7NO/c1-2-5-4-6-3-1/h4H,1-3H2","InChI=1S/C4H7NO/c1-3-6-4-5-2/h2,4H,3H2,1H3",71.1724,51.557109999999994,
6543,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[O:3][C:4]([H:11])=[N:5][C:6]1([H:12])[H:13],[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[O:3][C:4]([H:11])=[N+:5]=[C-:6]1.[H:12][H:13],"InChI=1S/C4H7NO/c1-2-5-4-6-3-1/h4H,1-3H2","InChI=1S/C4H5NO.H2/c1-2-5-4-6-3-1;/h4H,1,3H2;1H",80.90178,81.12037,
6544,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[O:3][C:4]([H:11])=[N:5][C:6]1([H:12])[H:13],[C:1]([C:2]([O:3][H:11])([H:9])[H:10])([C:6]([N+:5]#[C-:4])([H:12])[H:13])([H:7])[H:8],"InChI=1S/C4H7NO/c1-2-5-4-6-3-1/h4H,1-3H2","InChI=1S/C4H7NO/c1-5-3-2-4-6/h6H,2-4H2",63.16414,24.089570000000002,
6545,[C:1]1([H:6])([H:7])[C:2]2([H:8])[C:3]([H:9])([H:10])[C:4]1([H:11])[C:5]2([H:12])[H:13],[C:1](=[C:4]([C:3]([C:2](=[C:5]([H:12])[H:13])[H:8])([H:9])[H:10])[H:11])([H:6])[H:7],"InChI=1S/C5H8/c1-4-2-5(1)3-4/h4-5H,1-3H2","InChI=1S/C5H8/c1-3-5-4-2/h3-4H,1-2,5H2",55.01871,-25.84674,
6546,[C:1]1([H:6])([H:7])[C:2]2([H:8])[C:3]([H:9])([H:10])[C:4]1([H:11])[C:5]2([H:12])[H:13],[C:1]1([H:6])([H:7])[C:2][C:5]([H:12])([H:13])[C:4]1([C:3]([H:8])([H:9])[H:10])[H:11],"InChI=1S/C5H8/c1-4-2-5(1)3-4/h4-5H,1-3H2","InChI=1S/C5H8/c1-5-3-2-4-5/h5H,3-4H2,1H3",65.47558000000001,48.51859,
6547,[C:1]([C:2]12[C:3]([H:10])([H:11])[N:4]([C:5]1([H:12])[H:13])[C:6]2([H:14])[H:15])([H:7])([H:8])[H:9],[C:1]([C-:2]1[C:3]([H:10])([H:11])[N+:4](=[C:6]([H:14])[H:15])[C:5]1([H:12])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C5H9N/c1-5-2-6(3-5)4-5/h2-4H2,1H3","InChI=1S/C5H9N/c1-5-3-6(2)4-5/h2-4H2,1H3",31.79539,33.17038,
6548,[C:1]([C:2]12[C:3]([H:10])([H:11])[N:4]([C:5]1([H:12])[H:13])[C:6]2([H:14])[H:15])([H:7])([H:8])[H:9],[C:1]([C:2]12[C:3]([H:10])([H:11])[N+:4]([H:14])([C:5]1([H:12])[H:13])[C-:6]2[H:15])([H:7])([H:8])[H:9],"InChI=1S/C5H9N/c1-5-2-6(3-5)4-5/h2-4H2,1H3","InChI=1S/C5H9N/c1-5-2-6(3-5)4-5/h2,6H,3-4H2,1H3",67.54786999999999,56.56346,
6549,[C:1]([C:2]12[C:3]([H:10])([H:11])[N:4]([C:5]1([H:12])[H:13])[C:6]2([H:14])[H:15])([H:7])([H:8])[H:9],[C:1]([C:2][C:5]([N:4]1[C:3]([H:10])([H:11])[C:6]1([H:14])[H:15])([H:12])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C5H9N/c1-5-2-6(3-5)4-5/h2-4H2,1H3","InChI=1S/C5H9N/c1-2-3-6-4-5-6/h3-5H2,1H3",105.3358,49.13939,
6550,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[N:4]2[C:5]([H:11])([H:12])[C@@:6]12[H:13])[H:7],[O:1](/[C:2](=[C:6](/[C:5]([N:4]=[C:3]([H:9])[H:10])([H:11])[H:12])[H:13])[H:8])[H:7],"InChI=1S/C4H7NO/c6-4-2-5-1-3(4)5/h3-4,6H,1-2H2/t3-,4-,5?/m0/s1","InChI=1S/C4H7NO/c1-5-3-2-4-6/h2,4,6H,1,3H2/b4-2+",29.17244,-24.41152,
6551,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[N:4]2[C:5]([H:11])([H:12])[C@@:6]12[H:13])[H:7],[O:1]([C@@:2]([C:3]([N:4]=[C:5]([H:11])[H:12])([H:9])[H:10])([C:6][H:13])[H:8])[H:7],"InChI=1S/C4H7NO/c6-4-2-5-1-3(4)5/h3-4,6H,1-2H2/t3-,4-,5?/m0/s1","InChI=1S/C4H7NO/c1-4(6)3-5-2/h1,4,6H,2-3H2/t4-/m1/s1",58.643240000000006,60.66262,
6552,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[N:4]2[C:5]([H:11])([H:12])[C@@:6]12[H:13])[H:7],[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[N+:4]2([H:12])[C-:5]([H:11])[C@@:6]12[H:13])[H:7],"InChI=1S/C4H7NO/c6-4-2-5-1-3(4)5/h3-4,6H,1-2H2/t3-,4-,5?/m0/s1","InChI=1S/C4H7NO/c6-4-2-5-1-3(4)5/h1,3-6H,2H2/t3-,4-/m0/s1",59.97513000000001,46.35777,
6553,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[N:4]2[C:5]([H:11])([H:12])[C@@:6]12[H:13])[H:7],[O:1]=[C:2]([C:3]([N:4]1[C:5]([H:11])([H:12])[C:6]1([H:7])[H:13])([H:9])[H:10])[H:8],"InChI=1S/C4H7NO/c6-4-2-5-1-3(4)5/h3-4,6H,1-2H2/t3-,4-,5?/m0/s1","InChI=1S/C4H7NO/c6-4-3-5-1-2-5/h4H,1-3H2",62.18905,-11.71368,
6554,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[N:4]2[C:5]([H:11])([H:12])[C@@:6]12[H:13])[H:7],[C:2]1([H:8])=[C:6]([H:13])[C:5]([H:12])=[N:4][C:3]1([H:9])[H:10].[O:1]([H:7])[H:11],"InChI=1S/C4H7NO/c6-4-2-5-1-3(4)5/h3-4,6H,1-2H2/t3-,4-,5?/m0/s1","InChI=1S/C4H5N.H2O/c1-2-4-5-3-1;/h1-3H,4H2;1H2",74.67998,-33.84115,
6555,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[N:4]2[C:5]([H:11])([H:12])[C@@:6]12[H:13])[H:7],[H:7][H:8].[O:1]=[C:2]1[C:3]([H:9])([H:10])[N:4]2[C:5]([H:11])([H:12])[C@@:6]12[H:13],"InChI=1S/C4H7NO/c6-4-2-5-1-3(4)5/h3-4,6H,1-2H2/t3-,4-,5?/m0/s1","InChI=1S/C4H5NO.H2/c6-4-2-5-1-3(4)5;/h3H,1-2H2;1H/t3-,5?;/m0./s1",79.44662,12.42971,
6556,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[N:4]2[C:5]([H:11])([H:12])[C@@:6]12[H:13])[H:7],[O:1]([C:3]([C@@:2]1([H:8])[N:4]2[C:5]([H:11])([H:12])[C@@:6]12[H:13])([H:9])[H:10])[H:7],"InChI=1S/C4H7NO/c6-4-2-5-1-3(4)5/h3-4,6H,1-2H2/t3-,4-,5?/m0/s1","InChI=1S/C4H7NO/c6-2-4-3-1-5(3)4/h3-4,6H,1-2H2/t3-,4+,5?/m0/s1",67.29516,8.794039999999999,
6557,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[N:4]2[C:5]([H:11])([H:12])[C@@:6]12[H:13])[H:7],[C:2]1([H:8])=[C:3]([H:10])[N:4]2[C:5]([H:11])([H:12])[C@@:6]12[H:13].[O:1]([H:7])[H:9],"InChI=1S/C4H7NO/c6-4-2-5-1-3(4)5/h3-4,6H,1-2H2/t3-,4-,5?/m0/s1","InChI=1S/C4H5N.H2O/c1-2-5-3-4(1)5;/h1-2,4H,3H2;1H2/t4-,5?;/m1./s1",71.1434,24.207520000000002,"1,3_Insertion_ROR"
6558,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[N:4]2[C:5]([H:11])([H:12])[C@@:6]12[H:13])[H:7],[H:7][H:11].[O:1]=[C:2]([C:3]([N:4]1[C:5]([H:12])=[C:6]1[H:13])([H:9])[H:10])[H:8],"InChI=1S/C4H7NO/c6-4-2-5-1-3(4)5/h3-4,6H,1-2H2/t3-,4-,5?/m0/s1","InChI=1S/C4H5NO.H2/c6-4-3-5-1-2-5;/h1-2,4H,3H2;1H",75.6987,56.65047,
6559,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[N:4]2[C:5]([H:11])([H:12])[C@@:6]12[H:13])[H:7],[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[N+:4]2([H:13])[C:5]([H:11])([H:12])[C-:6]12)[H:7],"InChI=1S/C4H7NO/c6-4-2-5-1-3(4)5/h3-4,6H,1-2H2/t3-,4-,5?/m0/s1","InChI=1S/C4H7NO/c6-4-2-5-1-3(4)5/h4-6H,1-2H2/t4-/m0/s1",57.703990000000005,49.968090000000004,
6560,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[N:4]2[C:5]([H:11])([H:12])[C@@:6]12[H:13])[H:7],[O:1]1[C@@:2]2([H:8])[C:3]([H:9])([H:10])[N:4]([C:5]([H:7])([H:11])[H:12])[C@@:6]12[H:13],"InChI=1S/C4H7NO/c6-4-2-5-1-3(4)5/h3-4,6H,1-2H2/t3-,4-,5?/m0/s1","InChI=1S/C4H7NO/c1-5-2-3-4(5)6-3/h3-4H,2H2,1H3/t3-,4-/m0/s1",67.85512,6.23495,
6561,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[N:4]2[C:5]([H:11])([H:12])[C@@:6]12[H:13])[H:7],[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[N+:4]([C-:5]([H:11])[H:12])=[C:6]1[H:13])[H:7],"InChI=1S/C4H7NO/c6-4-2-5-1-3(4)5/h3-4,6H,1-2H2/t3-,4-,5?/m0/s1","InChI=1S/C4H7NO/c1-5-2-4(6)3-5/h2,4,6H,1,3H2/t4-/m1/s1",57.92612,10.096119999999999,
6562,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[N:4]2[C:5]([H:11])([H:12])[C@@:6]12[H:13])[H:7],[C:2]1([H:8])=[C:6]2[N:4]([C:3]1([H:9])[H:10])[C:5]2([H:11])[H:12].[O:1]([H:7])[H:13],"InChI=1S/C4H7NO/c6-4-2-5-1-3(4)5/h3-4,6H,1-2H2/t3-,4-,5?/m0/s1","InChI=1S/C4H5N.H2O/c1-2-5-3-4(1)5;/h1H,2-3H2;1H2",69.11283,57.12565,"1,3_Insertion_ROR"
6563,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[N:4]2[C:5]([H:11])([H:12])[C@@:6]12[H:13])[H:7],[O:1]([C:2][C:3]([N:4]1[C:5]([H:11])([H:12])[C:6]1([H:8])[H:13])([H:9])[H:10])[H:7],"InChI=1S/C4H7NO/c6-4-2-5-1-3(4)5/h3-4,6H,1-2H2/t3-,4-,5?/m0/s1","InChI=1S/C4H7NO/c6-4-3-5-1-2-5/h6H,1-3H2",65.92563,43.94639,
6564,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[N:4]2[C:5]([H:11])([H:12])[C@@:6]12[H:13])[H:7],[O:1]([C@@:2]1([H:8])[C-:3]([H:9])[N+:4]2([H:10])[C:5]([H:11])([H:12])[C@@:6]12[H:13])[H:7],"InChI=1S/C4H7NO/c6-4-2-5-1-3(4)5/h3-4,6H,1-2H2/t3-,4-,5?/m0/s1","InChI=1S/C4H7NO/c6-4-2-5-1-3(4)5/h2-6H,1H2/t3-,4-/m0/s1",81.81984,58.08481,
6565,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[N:4]2[C:5]([H:11])([H:12])[C@@:6]12[H:13])[H:7],[O:1]=[C:2]([C:6]([C:5]([N:4]=[C:3]([H:9])[H:10])([H:11])[H:12])([H:7])[H:13])[H:8],"InChI=1S/C4H7NO/c6-4-2-5-1-3(4)5/h3-4,6H,1-2H2/t3-,4-,5?/m0/s1","InChI=1S/C4H7NO/c1-5-3-2-4-6/h4H,1-3H2",57.2696,-29.2644,
6566,[C:1]([O:2][C:3]([C@@:4]([C:5]([H:13])([H:14])[H:15])([O:6][H:16])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:2][C:3]([C:4](=[O:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9].[C:5]([H:13])([H:14])([H:15])[H:16],"InChI=1S/C4H10O2/c1-4(5)3-6-2/h4-5H,3H2,1-2H3/t4-/m1/s1","InChI=1S/C3H6O2.CH4/c1-5-3-2-4;/h2H,3H2,1H3;1H4",80.10795999999999,11.76101,
6567,[C:1]([O:2][C:3]([C@@:4]([C:5]([H:13])([H:14])[H:15])([O:6][H:16])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:2][H:16])([H:7])([H:8])[H:9].[C:3]([C:4](=[O:6])[H:12])([C:5]([H:13])([H:14])[H:15])([H:10])[H:11],"InChI=1S/C4H10O2/c1-4(5)3-6-2/h4-5H,3H2,1-2H3/t4-/m1/s1","InChI=1S/C3H6O.CH4O/c1-2-3-4;1-2/h3H,2H2,1H3;2H,1H3",62.99691,5.68855,
6568,[C:1]([O:2][C:3]([C@@:4]([C:5]([H:13])([H:14])[H:15])([O:6][H:16])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:6][C@@:4]([C:3]([O:2][H:16])([H:10])[H:11])([C:5]([H:13])([H:14])[H:15])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H10O2/c1-4(5)3-6-2/h4-5H,3H2,1-2H3/t4-/m1/s1","InChI=1S/C4H10O2/c1-4(3-5)6-2/h4-5H,3H2,1-2H3/t4-/m1/s1",68.52204,1.7816400000000001,
6569,[C:1]([O:2][C:3]([C@@:4]([C:5]([H:13])([H:14])[H:15])([O:6][H:16])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:2][C:3]([C:4](=[C:5]([H:13])[H:14])[O:6][H:16])([H:10])[H:11])([H:7])([H:8])[H:9].[H:12][H:15],"InChI=1S/C4H10O2/c1-4(5)3-6-2/h4-5H,3H2,1-2H3/t4-/m1/s1","InChI=1S/C4H8O2.H2/c1-4(5)3-6-2;/h5H,1,3H2,2H3;1H",98.46536,25.37114,
6570,[C:1]([O:2][C:3]([C@@:4]([C:5]([H:13])([H:14])[H:15])([O:6][H:16])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:2][C:3]([C:4]([C:5]([H:13])([H:14])[H:15])=[O:6])([H:10])[H:11])([H:7])([H:8])[H:9].[H:12][H:16],"InChI=1S/C4H10O2/c1-4(5)3-6-2/h4-5H,3H2,1-2H3/t4-/m1/s1","InChI=1S/C4H8O2.H2/c1-4(5)3-6-2;/h3H2,1-2H3;1H",80.77691,19.788829999999997,
6571,[C:1]([O:2][C:3]([C@@:4]([C:5]([H:13])([H:14])[H:15])([O:6][H:16])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:2][H:16])([H:7])([H:8])[H:9].[C:3]1([H:10])([H:11])[C@:4]([C:5]([H:13])([H:14])[H:15])([H:12])[O:6]1,"InChI=1S/C4H10O2/c1-4(5)3-6-2/h4-5H,3H2,1-2H3/t4-/m1/s1","InChI=1S/C3H6O.CH4O/c1-3-2-4-3;1-2/h3H,2H2,1H3;2H,1H3/t3-;/m1./s1",58.9788,27.61908,
6572,[C:1]([O:2][C:3]([C@@:4]([C:5]([H:13])([H:14])[H:15])([O:6][H:16])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:2]/[C:3](=[C:4](/[C:5]([H:13])([H:14])[H:15])[H:12])[H:11])([H:7])([H:8])[H:9].[O:6]([H:10])[H:16],"InChI=1S/C4H10O2/c1-4(5)3-6-2/h4-5H,3H2,1-2H3/t4-/m1/s1","InChI=1S/C4H8O.H2O/c1-3-4-5-2;/h3-4H,1-2H3;1H2/b4-3+;",63.65514,10.92373,"1,3_Insertion_ROR"
6573,[C:1]([O:2][C:3]([C@@:4]([C:5]([H:13])([H:14])[H:15])([O:6][H:16])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](=[O:2])([H:7])[H:8].[C:3](=[C:4]([C:5]([H:13])([H:14])[H:15])[O:6][H:16])([H:10])[H:11].[H:9][H:12],"InChI=1S/C4H10O2/c1-4(5)3-6-2/h4-5H,3H2,1-2H3/t4-/m1/s1","InChI=1S/C3H6O.CH2O.H2/c1-3(2)4;1-2;/h4H,1H2,2H3;1H2;1H",61.22185,29.67067,
6574,[C:1]([O:2][C:3]([C@@:4]([C:5]([H:13])([H:14])[H:15])([O:6][H:16])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:2][H:16])([H:7])([H:8])[H:9].[C:3]([C:4]([C:5]([H:13])([H:14])[H:15])=[O:6])([H:10])([H:11])[H:12],"InChI=1S/C4H10O2/c1-4(5)3-6-2/h4-5H,3H2,1-2H3/t4-/m1/s1","InChI=1S/C3H6O.CH4O/c1-3(2)4;1-2/h1-2H3;2H,1H3",65.93624,-1.94061,
6575,[C:1]([O:2][C:3]([C@@:4]([C:5]([H:13])([H:14])[H:15])([O:6][H:16])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:2][C:3]([C:4][O:6][H:16])([H:10])[H:11])([H:7])([H:8])[H:9].[C:5]([H:12])([H:13])([H:14])[H:15],"InChI=1S/C4H10O2/c1-4(5)3-6-2/h4-5H,3H2,1-2H3/t4-/m1/s1","InChI=1S/C3H6O2.CH4/c1-5-3-2-4;/h4H,3H2,1H3;1H4",77.50967,68.17175,
6576,[C:1]([O:2][C:3]([C@@:4]([C:5]([H:13])([H:14])[H:15])([O:6][H:16])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:2][C:3]([H:10])([H:11])[H:15])([H:7])([H:8])[H:9].[C:4](=[C:5]([H:13])[H:14])([O:6][H:16])[H:12],"InChI=1S/C4H10O2/c1-4(5)3-6-2/h4-5H,3H2,1-2H3/t4-/m1/s1","InChI=1S/C2H6O.C2H4O/c1-3-2;1-2-3/h1-2H3;2-3H,1H2",76.83409,23.58519,
6577,[C:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]1([C:5]([H:13])([H:14])[H:15])[H:12])([H:6])([H:7])[H:8],[C:1]([C:2][C:3]([C:4]([C:5]([H:13])([H:14])[H:15])([H:9])[H:12])([H:10])[H:11])([H:6])([H:7])[H:8],"InChI=1S/C5H10/c1-4-3-5(4)2/h4-5H,3H2,1-2H3/t4-,5+","InChI=1S/C5H10/c1-3-5-4-2/h3,5H2,1-2H3",65.8478,69.91136999999999,
6578,[C:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]1([C:5]([H:13])([H:14])[H:15])[H:12])([H:6])([H:7])[H:8],[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([C:4][C:5]([H:13])([H:14])[H:15])[H:9])([H:6])([H:7])[H:8],"InChI=1S/C5H10/c1-4-3-5(4)2/h4-5H,3H2,1-2H3/t4-,5+","InChI=1S/C5H10/c1-4-5(2)3/h5H,1-3H3",67.15386,68.38186,
6579,[C:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]1([C:5]([H:13])([H:14])[H:15])[H:12])([H:6])([H:7])[H:8],[C:1]([C:2]1([H:9])[C:3]([H:10])=[C:4]1[H:12])([H:6])([H:7])[H:8].[C:5]([H:11])([H:13])([H:14])[H:15],"InChI=1S/C5H10/c1-4-3-5(4)2/h4-5H,3H2,1-2H3/t4-,5+","InChI=1S/C4H6.CH4/c1-4-2-3-4;/h2-4H,1H3;1H4",115.3358,41.1334,
6580,[C:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]1([C:5]([H:13])([H:14])[H:15])[H:12])([H:6])([H:7])[H:8],[C:1]([H:6])([H:7])([H:8])[H:9].[C:2]1[C:3]([H:10])([H:11])[C@:4]1([C:5]([H:13])([H:14])[H:15])[H:12],"InChI=1S/C5H10/c1-4-3-5(4)2/h4-5H,3H2,1-2H3/t4-,5+","InChI=1S/C4H6.CH4/c1-4-2-3-4;/h4H,2H2,1H3;1H4/t4-;/m1./s1",88.15481,92.33108,
6581,[O:1]=[C:2]([N:3]([C:4](=[O:5])[H:8])[H:7])[H:6],[O:1](/[C:2](=[N:3]/[H:7])[H:6])[C:4](=[O:5])[H:8],"InChI=1S/C2H3NO2/c4-1-3-2-5/h1-2H,(H,3,4,5)",InChI=1S/C2H3NO2/c3-1-5-2-4/h1-3H/b3-1+,37.802,17.123,ketoenol
6582,[O:1]=[C:2]([N:3]([C:4](=[O:5])[H:8])[H:7])[H:6],[O:1]=[C:2]([N+:3](=[C-:4][O:5][H:8])[H:7])[H:6],"InChI=1S/C2H3NO2/c4-1-3-2-5/h1-2H,(H,3,4,5)","InChI=1S/C2H3NO2/c4-1-3-2-5/h1,3,5H",74.15002,39.30901,
6583,[O:1]=[C:2]([N:3]([C:4](=[O:5])[H:8])[H:7])[H:6],[O:1](/[C:2](=[N:3]/[C:4](=[O:5])[H:8])[H:6])[H:7],"InChI=1S/C2H3NO2/c4-1-3-2-5/h1-2H,(H,3,4,5)","InChI=1S/C2H3NO2/c4-1-3-2-5/h1-2H,(H,3,4,5)",42.95363,12.87218,ketoenol
6584,[O:1]=[C:2]([N:3]([C:4](=[O:5])[H:8])[H:7])[H:6],[C:4](=[O:5])([H:6])[H:8].[O:1]=[C:2]=[N:3][H:7],"InChI=1S/C2H3NO2/c4-1-3-2-5/h1-2H,(H,3,4,5)",InChI=1S/CHNO.CH2O/c2-1-3;1-2/h2H;1H2,59.77972,21.51417,
6585,[O:1]=[C:2]([N:3]([C:4](=[O:5])[H:8])[H:7])[H:6],[N:3](=[C:4](/[O:5][H:6])[H:8])\[H:7].[O+:1]#[C-:2],"InChI=1S/C2H3NO2/c4-1-3-2-5/h1-2H,(H,3,4,5)","InChI=1S/CH3NO.CO/c2-1-3;1-2/h1H,(H2,2,3);",41.65835,15.35955,
6586,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]12[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]2([H:15])[H:16],[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]1([C:4]([H:11])([H:12])[H:13])[C:6]([C:5][H:14])([H:15])[H:16],InChI=1S/C6H10/c1-2-6(3-1)4-5-6/h1-5H2,"InChI=1S/C6H10/c1-3-6(2)4-5-6/h1H,3-5H2,2H3",77.84304,75.27776,
6587,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]12[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]2([H:15])[H:16],[C:1]([C:2]([C:3]12[C:4]([H:11])([H:12])[C:5]1([H:13])[C:6]2([H:15])[H:16])([H:9])[H:10])([H:7])([H:8])[H:14],InChI=1S/C6H10/c1-2-6(3-1)4-5-6/h1-5H2,"InChI=1S/C6H10/c1-2-6-3-5(6)4-6/h5H,2-4H2,1H3",79.15603,8.12331,
6588,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]12[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]2([H:15])[H:16],[C:1]([C:5]1([H:13])[C:4]([H:11])([H:12])[C:3](=[C:2]([H:9])[H:10])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:14],InChI=1S/C6H10/c1-2-6(3-1)4-5-6/h1-5H2,"InChI=1S/C6H10/c1-5-3-6(2)4-5/h6H,1,3-4H2,2H3",96.42154000000001,-9.565669999999999,
6589,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]12[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]2([H:15])[H:16],[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]1([C:4]([C:5]([H:13])([H:14])[H:15])([H:11])[H:12])[C:6][H:16],InChI=1S/C6H10/c1-2-6(3-1)4-5-6/h1-5H2,"InChI=1S/C6H10/c1-3-6(2)4-5-6/h2H,3-5H2,1H3",75.70213000000001,65.2089,
6590,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]12[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]2([H:15])[H:16],[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]1([C:6]([C:5]([C:4][H:12])([H:13])[H:14])([H:15])[H:16])[H:11],InChI=1S/C6H10/c1-2-6(3-1)4-5-6/h1-5H2,"InChI=1S/C6H10/c1-2-3-6-4-5-6/h1,6H,2-5H2",79.09304,78.84094,
6591,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]12[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]2([H:15])[H:16],[C:1]([C:2]([C+:3]1[C:4]([H:11])([H:12])[C-:5]([H:13])[C:6]1([H:15])[H:16])([H:9])[H:10])([H:7])([H:8])[H:14],InChI=1S/C6H10/c1-2-6(3-1)4-5-6/h1-5H2,"InChI=1S/C6H10/c1-2-6-4-3-5-6/h3H,2,4-5H2,1H3",79.1537,69.43858,
6592,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]12[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]2([H:15])[H:16],[C:1]([C:3]1([C:2]([H:8])([H:9])[H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])[H:7],InChI=1S/C6H10/c1-2-6(3-1)4-5-6/h1-5H2,"InChI=1S/C6H10/c1-6(2)4-3-5-6/h1H,3-5H2,2H3",66.99927,73.61376,
6593,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]12[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]2([H:15])[H:16],[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]12[C:4]([H:11])([H:12])[C:5]([H:14])=[C:6]2[H:15].[H:13][H:16],InChI=1S/C6H10/c1-2-6(3-1)4-5-6/h1-5H2,"InChI=1S/C6H8.H2/c1-2-6(3-1)4-5-6;/h1-2H,3-5H2;1H",115.14406000000001,33.25607,
6594,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]12[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]2([H:15])[H:16],[C:1](=[C:2]([H:9])[H:10])([C:3]1=[C:4]([H:11])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])[H:8].[H:7][H:12],InChI=1S/C6H10/c1-2-6(3-1)4-5-6/h1-5H2,"InChI=1S/C6H8.H2/c1-2-6-4-3-5-6;/h2,4H,1,3,5H2;1H",91.39426,20.83355,
6595,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]12[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]2([H:15])[H:16],[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]1=[C:4]([H:11])[H:12].[C:5](=[C:6]([H:15])[H:16])([H:13])[H:14],InChI=1S/C6H10/c1-2-6(3-1)4-5-6/h1-5H2,InChI=1S/C4H6.C2H4/c1-4-2-3-4;1-2/h1-3H2;1-2H2,89.73703,25.17294,
6596,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]12[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]2([H:15])[H:16],[C:1]([C:2]([H:9])([H:10])[H:16])([C:3]1=[C:6]([H:15])[C:5]([H:13])([H:14])[C:4]1([H:11])[H:12])([H:7])[H:8],InChI=1S/C6H10/c1-2-6(3-1)4-5-6/h1-5H2,"InChI=1S/C6H10/c1-2-6-4-3-5-6/h4H,2-3,5H2,1H3",68.2206,-7.22757,
6597,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]12[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]2([H:15])[H:16],[C:1]1([H:7])([H:8])[C:2]([H:10])=[C:3]1[C:6]([H:9])([H:15])[H:16].[C:4](=[C:5]([H:13])[H:14])([H:11])[H:12],InChI=1S/C6H10/c1-2-6(3-1)4-5-6/h1-5H2,"InChI=1S/C4H6.C2H4/c1-4-2-3-4;1-2/h2H,3H2,1H3;1-2H2",102.86974000000001,36.686890000000005,
6598,[C:1]([c:2]1[n:3][c:4]([H:10])[n:5][o:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]#[N:3])([H:7])([H:8])[H:9].[C:4](#[N+:5][O-:6])[H:10],"InChI=1S/C3H4N2O/c1-3-4-2-5-6-3/h2H,1H3",InChI=1S/C2H3N.CHNO/c2*1-2-3/h1H3;1H,55.19829,45.799620000000004,
6599,[C:1]([c:2]1[n:3][c:4]([H:10])[n:5][o:6]1)([H:7])([H:8])[H:9],[C:1]([N:3]=[C:2]=[O:6])([H:7])([H:8])[H:9].[C:4](#[N:5])[H:10],"InChI=1S/C3H4N2O/c1-3-4-2-5-6-3/h2H,1H3",InChI=1S/C2H3NO.CHN/c1-3-2-4;1-2/h1H3;1H,61.18466,-5.65482,
6600,[C:1]([c:2]1[n:3][c:4]([H:10])[n:5][o:6]1)([H:7])([H:8])[H:9],[C:1](=[C:2]1[N:3]=[C:4]([H:10])[N:5]([H:9])[O:6]1)([H:7])[H:8],"InChI=1S/C3H4N2O/c1-3-4-2-5-6-3/h2H,1H3","InChI=1S/C3H4N2O/c1-3-4-2-5-6-3/h2H,1H2,(H,4,5)",95.96637,31.20904,
6601,[C:1]([c:2]1[n:3][c:4]([H:10])[n:5][o:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]([N:3]=[C:4]=[N:5][H:10])=[O:6])([H:7])([H:8])[H:9],"InChI=1S/C3H4N2O/c1-3-4-2-5-6-3/h2H,1H3","InChI=1S/C3H4N2O/c1-3(6)5-2-4/h4H,1H3",44.49309,-20.279139999999998,
6602,[C:1]([c:2]1[n:3][c:4]([H:10])[n:5][o:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]([N:3]1[C:4]([H:10])=[N:5]1)=[O:6])([H:7])([H:8])[H:9],"InChI=1S/C3H4N2O/c1-3-4-2-5-6-3/h2H,1H3","InChI=1S/C3H4N2O/c1-3(6)5-2-4-5/h2H,1H3",52.18007,46.45044,ketoenol
6603,[C:1]([c:2]1[n:3][c:4]([H:10])[n:5][o:6]1)([H:7])([H:8])[H:9],[C:1](=[C:2]1[N:3]([H:9])[C:4]([H:10])=[N:5][O:6]1)([H:7])[H:8],"InChI=1S/C3H4N2O/c1-3-4-2-5-6-3/h2H,1H3","InChI=1S/C3H4N2O/c1-3-4-2-5-6-3/h2H,1H2,(H,4,5)",76.30412,24.16872,
6604,[C:1]([c:2]1[n:3][c:4]([H:10])[n:5][o:6]1)([H:7])([H:8])[H:9],[C:1](/[C:2](=[N:3]/[H:10])[O:6][N+:5]#[C-:4])([H:7])([H:8])[H:9],"InChI=1S/C3H4N2O/c1-3-4-2-5-6-3/h2H,1H3","InChI=1S/C3H4N2O/c1-3(4)6-5-2/h4H,1H3/b4-3-",80.02471,58.348040000000005,
6605,[N:1]([C:2]([C:3]#[N:4])([H:7])[H:8])([H:5])[H:6],[C:3]=[N:4][H:5].[N:1](=[C:2]([H:7])[H:8])[H:6],"InChI=1S/C2H4N2/c3-1-2-4/h1,3H2","InChI=1S/CH3N.CHN/c2*1-2/h2H,1H2;2H",56.37826,44.28937,
6606,[N:1]([C:2]([C:3]#[N:4])([H:7])[H:8])([H:5])[H:6],[N+:1]([C-:2]([C:3]#[N:4])[H:8])([H:5])([H:6])[H:7],"InChI=1S/C2H4N2/c3-1-2-4/h1,3H2","InChI=1S/C2H4N2/c3-1-2-4/h1H,3H3",67.24371,47.00698,
6607,[N:1]([C:2]([C:3]#[N:4])([H:7])[H:8])([H:5])[H:6],[N:1]([C:2]([N+:4]#[C-:3])([H:7])[H:8])([H:5])[H:6],"InChI=1S/C2H4N2/c3-1-2-4/h1,3H2",InChI=1S/C2H4N2/c1-4-2-3/h2-3H2,47.056290000000004,23.07805,
6608,[C:1]([O:2][C:3]([C:4]([H:10])([H:11])[H:12])([C:5]([H:13])([H:14])[H:15])[H:9])([H:6])([H:7])[H:8],[C:1]([O+:2]=[C-:3][C:4]([H:10])([H:11])[H:12])([H:6])([H:7])[H:8].[C:5]([H:9])([H:13])([H:14])[H:15],"InChI=1S/C4H10O/c1-4(2)5-3/h4H,1-3H3",InChI=1S/C3H6O.CH4/c1-3-4-2;/h1-2H3;1H4,70.09253000000001,58.79335,
6609,[C:1]([O:2][C:3]([C:4]([H:10])([H:11])[H:12])([C:5]([H:13])([H:14])[H:15])[H:9])([H:6])([H:7])[H:8],[C-:1]([O+:2]=[C:3]([C:5]([H:13])([H:14])[H:15])[H:9])([H:7])[H:8].[C:4]([H:6])([H:10])([H:11])[H:12],"InChI=1S/C4H10O/c1-4(2)5-3/h4H,1-3H3","InChI=1S/C3H6O.CH4/c1-3-4-2;/h3H,2H2,1H3;1H4",73.96051,60.83735,
6610,[C:1]([O:2][C:3]([C:4]([H:10])([H:11])[H:12])([C:5]([H:13])([H:14])[H:15])[H:9])([H:6])([H:7])[H:8],[C:1]([O:2][C:4]([H:10])([H:11])[H:12])([H:6])([H:7])[H:8].[C:3]([C:5]([H:13])([H:14])[H:15])[H:9],"InChI=1S/C4H10O/c1-4(2)5-3/h4H,1-3H3","InChI=1S/C2H6O.C2H4/c1-3-2;1-2/h1-2H3;1H,2H3",111.91518,108.82006000000001,
6611,[C:1]([O:2][C:3]([C:4]([H:10])([H:11])[H:12])([C:5]([H:13])([H:14])[H:15])[H:9])([H:6])([H:7])[H:8],[C-:1]([O+:2]=[C:3]([C:4]([H:10])([H:11])[H:12])[C:5]([H:13])([H:14])[H:15])([H:7])[H:8].[H:6][H:9],"InChI=1S/C4H10O/c1-4(2)5-3/h4H,1-3H3","InChI=1S/C4H8O.H2/c1-4(2)5-3;/h3H2,1-2H3;1H",64.88927,66.71378,
6612,[C:1]([O:2][C:3]([C:4]([H:10])([H:11])[H:12])([C:5]([H:13])([H:14])[H:15])[H:9])([H:6])([H:7])[H:8],[C:1]([O:2][C:3](=[C:4]([H:10])[H:12])[C:5]([H:13])([H:14])[H:15])([H:6])([H:7])[H:8].[H:9][H:11],"InChI=1S/C4H10O/c1-4(2)5-3/h4H,1-3H3","InChI=1S/C4H8O.H2/c1-4(2)5-3;/h1H2,2-3H3;1H",96.83651,22.64126,
6613,[C:1]([C:2]([C@@:3]1([H:12])[O:4][C@:5]1([C:6]([H:14])([H:15])[H:16])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]([H:10])[H:11])([H:7])[H:9].[C:3](=[O:4])([C:5]([C:6]([H:14])([H:15])[H:16])([H:8])[H:13])[H:12],"InChI=1S/C5H10O/c1-3-5-4(2)6-5/h4-5H,3H2,1-2H3/t4-,5+/m0/s1","InChI=1S/C3H6O.C2H4/c1-2-3-4;1-2/h3H,2H2,1H3;1-2H2",59.603019999999994,3.37239,
6614,[C:1]([C:2]([C@@:3]1([H:12])[O:4][C@:5]1([C:6]([H:14])([H:15])[H:16])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3][C@@:5]([O:4][H:12])([C:6]([H:14])([H:15])[H:16])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-3-5-4(2)6-5/h4-5H,3H2,1-2H3/t4-,5+/m0/s1","InChI=1S/C5H10O/c1-3-4-5(2)6/h5-6H,3H2,1-2H3/t5-/m0/s1",67.83099,66.65576999999999,
6615,[C:1]([C:2]([C@@:3]1([H:12])[O:4][C@:5]1([C:6]([H:14])([H:15])[H:16])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C@@:5]([C:3](=[O:4])[H:12])([C:6]([H:14])([H:15])[H:16])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-3-5-4(2)6-5/h4-5H,3H2,1-2H3/t4-,5+/m0/s1","InChI=1S/C5H10O/c1-3-5(2)4-6/h4-5H,3H2,1-2H3/t5-/m0/s1",50.600840000000005,-19.68386,
6616,[C:1]([C:2]([C@@:3]1([H:12])[O:4][C@:5]1([C:6]([H:14])([H:15])[H:16])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C@@:3]1([H:12])[O+:4]=[C-:5]1)([H:10])[H:11])([H:7])([H:8])[H:9].[C:6]([H:13])([H:14])([H:15])[H:16],"InChI=1S/C5H10O/c1-3-5-4(2)6-5/h4-5H,3H2,1-2H3/t4-,5+/m0/s1","InChI=1S/C4H6O.CH4/c1-2-4-3-5-4;/h4H,2H2,1H3;1H4/t4-;/m1./s1",78.99193000000001,54.890409999999996,
6617,[C:1]([C:2]([C@@:3]1([H:12])[O:4][C@:5]1([C:6]([H:14])([H:15])[H:16])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3](=[O+:4][C-:5]([C:6]([H:14])([H:15])[H:16])[H:13])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-3-5-4(2)6-5/h4-5H,3H2,1-2H3/t4-,5+/m0/s1","InChI=1S/C5H10O/c1-3-5-6-4-2/h4-5H,3H2,1-2H3",54.20591999999999,39.01426,
6618,[C:1]([C:2]([C@@:3]1([H:12])[O:4][C@:5]1([C:6]([H:14])([H:15])[H:16])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C@@:3]([O:4][H:13])([C:5][C:6]([H:14])([H:15])[H:16])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-3-5-4(2)6-5/h4-5H,3H2,1-2H3/t4-,5+/m0/s1","InChI=1S/C5H10O/c1-3-5(6)4-2/h5-6H,3H2,1-2H3/t5-/m1/s1",67.08776999999999,65.88915,
6619,[C:1]([C:2]([C@@:3]1([H:12])[O:4][C@:5]1([C:6]([H:14])([H:15])[H:16])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:3](=[C:2]([H:10])[H:11])[H:12])([H:7])([H:8])[H:9].[O:4]=[C:5]([C:6]([H:14])([H:15])[H:16])[H:13],"InChI=1S/C5H10O/c1-3-5-4(2)6-5/h4-5H,3H2,1-2H3/t4-,5+/m0/s1","InChI=1S/C3H6.C2H4O/c1-3-2;1-2-3/h3H,1H2,2H3;2H,1H3",77.04499,0.66932,
6620,[C:1]([C:2]([C@@:3]1([H:12])[O:4][C@:5]1([C:6]([H:14])([H:15])[H:16])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C@@:3]([O:4][H:14])([C:5](=[C:6]([H:15])[H:16])[H:13])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-3-5-4(2)6-5/h4-5H,3H2,1-2H3/t4-,5+/m0/s1","InChI=1S/C5H10O/c1-3-5(6)4-2/h3,5-6H,1,4H2,2H3/t5-/m0/s1",54.0042,-7.443969999999999,
6621,[C:1]([C:2]([C@@:3]1([H:12])[O:4][C@:5]1([C:6]([H:14])([H:15])[H:16])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](/[C:2](=[C:3](/[C@@:5]([O:4][H:10])([C:6]([H:14])([H:15])[H:16])[H:13])[H:12])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-3-5-4(2)6-5/h4-5H,3H2,1-2H3/t4-,5+/m0/s1","InChI=1S/C5H10O/c1-3-4-5(2)6/h3-6H,1-2H3/b4-3+/t5-/m0/s1",53.66931999999999,-11.28694,
6622,[C:1]([C:2]([C@@:3]1([H:12])[O:4][C@:5]1([C:6]([H:14])([H:15])[H:16])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:5]([C@@:3]1([H:12])[C:2]([H:10])([H:11])[O:4]1)([C:6]([H:14])([H:15])[H:16])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-3-5-4(2)6-5/h4-5H,3H2,1-2H3/t4-,5+/m0/s1","InChI=1S/C5H10O/c1-4(2)5-3-6-5/h4-5H,3H2,1-2H3/t5-/m1/s1",93.88662,3.01032,
6623,[C:1]([C:2]([C@@:3]([N:4]([H:13])[H:14])([C:5]#[N:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](/[C:3](=[N:4]\[H:13])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9].[C:5]=[N:6][H:14],"InChI=1S/C4H8N2/c1-2-4(6)3-5/h4H,2,6H2,1H3/t4-/m1/s1","InChI=1S/C3H7N.CHN/c1-2-3-4;1-2/h3-4H,2H2,1H3;2H/b4-3-;",48.52668,42.419979999999995,
6624,[C:1]([C:2]([C@@:3]([N:4]([H:13])[H:14])([C:5]#[N:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](/[C:2](=[C:3](/[C:5]#[N:6])[H:12])[H:11])([H:7])([H:8])[H:9].[N:4]([H:10])([H:13])[H:14],"InChI=1S/C4H8N2/c1-2-4(6)3-5/h4H,2,6H2,1H3/t4-/m1/s1","InChI=1S/C4H5N.H3N/c1-2-3-4-5;/h2-3H,1H3;1H3/b3-2+;",65.65997,9.77637,"1,3_NH3_elimination"
6625,[C:1]([C:2]([C@@:3]([N:4]([H:13])[H:14])([C:5]#[N:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C-:2]1([H:11])[C@@:3]([C:5]#[N:6])([H:12])[N+:4]1([H:13])[H:14].[C:1]([H:7])([H:8])([H:9])[H:10],"InChI=1S/C4H8N2/c1-2-4(6)3-5/h4H,2,6H2,1H3/t4-/m1/s1","InChI=1S/C3H4N2.CH4/c4-1-3-2-5-3;/h2-3H,5H2;1H4/t3-;/m0./s1",90.97091999999999,84.04959000000001,
6626,[C:1]([C:2]([C@@:3]([N:4]([H:13])[H:14])([C:5]#[N:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C@@:3]([N:4]([H:13])[H:14])([N+:6]#[C-:5])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H8N2/c1-2-4(6)3-5/h4H,2,6H2,1H3/t4-/m1/s1","InChI=1S/C4H8N2/c1-3-4(5)6-2/h4H,3,5H2,1H3/t4-/m0/s1",45.04826,22.001179999999998,
6627,[C:1]([C:2]([C@@:3]([N:4]([H:13])[H:14])([C:5]#[N:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([H:9])([H:10])[H:11])([N:6]=[C:5]=[C:3]([N:4]([H:13])[H:14])[H:12])([H:7])[H:8],"InChI=1S/C4H8N2/c1-2-4(6)3-5/h4H,2,6H2,1H3/t4-/m1/s1","InChI=1S/C4H8N2/c1-2-6-4-3-5/h3H,2,5H2,1H3",87.13515,27.22147,
6628,[C:1]([C:2]([C@@:3]([N:4]([H:13])[H:14])([C:5]#[N:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C@@:3]1([H:12])[C:5]([N:4]([H:13])[H:14])=[N:6]1)([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H8N2/c1-2-4(6)3-5/h4H,2,6H2,1H3/t4-/m1/s1","InChI=1S/C4H8N2/c1-2-3-4(5)6-3/h3H,2H2,1H3,(H2,5,6)/t3-/m0/s1",79.45743,25.35781,
6629,[C:1]([C:2]([C@@:3]([N:4]([H:13])[H:14])([C:5]#[N:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]([H:10])[H:11])([H:7])[H:8].[C:3]([N:4]([H:13])[H:14])(=[C:5]=[N:6][H:9])[H:12],"InChI=1S/C4H8N2/c1-2-4(6)3-5/h4H,2,6H2,1H3/t4-/m1/s1","InChI=1S/C2H4N2.C2H4/c3-1-2-4;1-2/h1,4H,3H2;1-2H2",53.866659999999996,46.93403,Retroene
6630,[C:1]([C:2]([C@@:3]([N:4]([H:13])[H:14])([C:5]#[N:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](/[C:3](=[N:4]/[H:13])[C:5]#[N:6])([H:10])[H:11])([H:7])([H:8])[H:9].[H:12][H:14],"InChI=1S/C4H8N2/c1-2-4(6)3-5/h4H,2,6H2,1H3/t4-/m1/s1","InChI=1S/C4H6N2.H2/c1-2-4(6)3-5;/h6H,2H2,1H3;1H/b6-4-;",98.00674000000001,21.84544,
6631,[C:1]([C:2]([C@@:3]([N:4]([H:13])[H:14])([C:5]#[N:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]1([H:7])([H:8])[C:2]([H:10])([H:11])[C@:3]([N:4]([H:13])[H:14])([H:12])[C:5][N:6]1[H:9],"InChI=1S/C4H8N2/c1-2-4(6)3-5/h4H,2,6H2,1H3/t4-/m1/s1","InChI=1S/C4H8N2/c5-4-1-2-6-3-4/h4,6H,1-2,5H2/t4-/m1/s1",81.00664,46.50497,
6632,[C:1]([C:2]([C@@:3]([N:4]([H:13])[H:14])([C:5]#[N:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C+:3]([N:4]([H:13])[H:14])=[C:5]=[N-:6].[C:1]([C:2]([H:10])([H:11])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H8N2/c1-2-4(6)3-5/h4H,2,6H2,1H3/t4-/m1/s1",InChI=1S/C2H2N2.C2H6/c3-1-2-4;1-2/h3H2;1-2H3,60.509409999999995,45.46735,
6633,[C:1]([C:2]([C@@:3]([N:4]([H:13])[H:14])([C:5]#[N:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]1([H:7])([H:8])[C:2]([H:10])([H:11])[C:3]1([N:4]([H:13])[H:14])[H:12].[C:5](#[N:6])[H:9],"InChI=1S/C4H8N2/c1-2-4(6)3-5/h4H,2,6H2,1H3/t4-/m1/s1","InChI=1S/C3H7N.CHN/c4-3-1-2-3;1-2/h3H,1-2,4H2;1H",81.47941,35.903420000000004,
6634,[C:1]([C:2]([C@@:3]([N:4]([H:13])[H:14])([C:5]#[N:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](/[C:2](=[C:3](/[N:4]([H:13])[H:14])[C:5]#[N:6])[H:11])([H:7])([H:8])[H:9].[H:10][H:12],"InChI=1S/C4H8N2/c1-2-4(6)3-5/h4H,2,6H2,1H3/t4-/m1/s1","InChI=1S/C4H6N2.H2/c1-2-4(6)3-5;/h2H,6H2,1H3;1H/b4-2+;",95.05513,21.53987,
6635,[C:1]([C:2]([C@@:3]([N:4]([H:13])[H:14])([C:5]#[N:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C-:3]([N+:4]([H:12])([H:13])[H:14])[C:5]#[N:6])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H8N2/c1-2-4(6)3-5/h4H,2,6H2,1H3/t4-/m1/s1","InChI=1S/C4H8N2/c1-2-4(6)3-5/h2H2,1,6H3",68.76263,47.34323,
6636,[C:1]([C:2]([C@@:3]([N:4]([H:13])[H:14])([C:5]#[N:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([N:4]([H:13])[H:14])=[C:5]=[N:6][H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H8N2/c1-2-4(6)3-5/h4H,2,6H2,1H3/t4-/m1/s1","InChI=1S/C4H8N2/c1-2-4(6)3-5/h5H,2,6H2,1H3",82.92158,20.42991,
6637,[C:1](#[C:2][H:5])[C:3]#[C:4][H:6],[C+:1](=[C:2]([H:5])[H:6])[C:3]#[C-:4],InChI=1S/C4H2/c1-3-4-2/h1-2H,InChI=1S/C4H2/c1-3-4-2/h1H2,100.00874,43.156040000000004,
6638,[C:1](#[C:2][H:5])[C:3]#[C:4][H:6],[C:1]12=[C:3]3[C@@:2]1([H:5])[C@:4]23[H:6],InChI=1S/C4H2/c1-3-4-2/h1-2H,"InChI=1S/C4H2/c1-2-3(1)4(1)2/h1-2H/t1-,2+",92.27336,70.30889,
6639,[C:1](#[C:2][H:5])[C:3]#[C:4][H:6],[C:1](#[C:2][H:5])[C:4](=[C:3])[H:6],InChI=1S/C4H2/c1-3-4-2/h1-2H,"InChI=1S/C4H2/c1-3-4-2/h1,4H",53.61765,59.9566,Singlet_Carbene_Intra_Disproportionation
6640,[C:1]([C:2]([C:3]([C:4]([C:5](=[O:6])[H:16])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:5](=[O:6])[H:16])([H:10])[H:11])([H:7])([H:8])[H:9].[C:3](=[C:4]([H:14])[H:15])([H:12])[H:13],"InChI=1S/C5H10O/c1-2-3-4-5-6/h5H,2-4H2,1H3","InChI=1S/C3H6O.C2H4/c1-2-3-4;1-2/h3H,2H2,1H3;1-2H2",83.96101,22.29354,
6641,[C:1]([C:2]([C:3]([C:4]([C:5](=[O:6])[H:16])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3](/[C:4](=[C:5](\[O:6][H:15])[H:16])[H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-2-3-4-5-6/h5H,2-4H2,1H3","InChI=1S/C5H10O/c1-2-3-4-5-6/h4-6H,2-3H2,1H3/b5-4-",67.23084,5.61071,ketoenol
6642,[C:1]([C:2]([C:3]([C:4]([C:5](=[O:6])[H:16])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([O:6][C:5](=[C:4]([H:14])[H:15])[H:16])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-2-3-4-5-6/h5H,2-4H2,1H3","InChI=1S/C5H10O/c1-3-5-6-4-2/h4H,2-3,5H2,1H3",76.97131,17.30675,ketoenol
6643,[C:1]([C:2]([C:3]([C:4]([C:5](=[O:6])[H:16])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C-:5]#[O+:6].[C:1]([C:2]([C:3](=[C:4]([H:14])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9].[H:13][H:16],"InChI=1S/C5H10O/c1-2-3-4-5-6/h5H,2-4H2,1H3","InChI=1S/C4H8.CO.H2/c1-3-4-2;1-2;/h3H,1,4H2,2H3;;1H",59.51843,29.09352,
6644,[C:1]([C:2]([C:3]([C:4]([C:5](=[O:6])[H:16])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([C:4]([O+:6]=[C-:5][H:16])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-2-3-4-5-6/h5H,2-4H2,1H3","InChI=1S/C5H10O/c1-3-4-5-6-2/h2H,3-5H2,1H3",110.64067,68.16833000000001,
6645,[C:1]([C:2]([C:3]([C:4]([C:5](=[O:6])[H:16])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C@:2]1([H:10])[C:3]([H:12])([H:13])[C:4]([H:14])([H:15])[C:5]([H:11])([H:16])[O:6]1)([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-2-3-4-5-6/h5H,2-4H2,1H3","InChI=1S/C5H10O/c1-5-3-2-4-6-5/h5H,2-4H2,1H3/t5-/m1/s1",81.10549,4.3383,
6646,[C:1]([C:2]([C:3]([C:4]([C:5](=[O:6])[H:16])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C-:1]1([H:9])[C:2]([H:10])([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])([H:15])[C:5]([H:16])=[O+:6]1.[H:7][H:8],"InChI=1S/C5H10O/c1-2-3-4-5-6/h5H,2-4H2,1H3","InChI=1S/C5H8O.H2/c1-2-4-6-5-3-1;/h4-5H,1-3H2;1H",103.36702,72.31784,
6647,[C:1]([C:2]([C:3]([C:4]([C:5](=[O:6])[H:16])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([C:4]([C:5][O:6][H:16])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-2-3-4-5-6/h5H,2-4H2,1H3","InChI=1S/C5H10O/c1-2-3-4-5-6/h6H,2-4H2,1H3",81.12758000000001,56.337309999999995,
6648,[C:1]([C:2]([C:3]([C:4]([C:5](=[O:6])[H:16])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C@:2]1([H:10])[C:3]([H:12])([H:13])[C:4]([H:14])([H:15])[C@@:5]1([O:6][H:11])[H:16])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-2-3-4-5-6/h5H,2-4H2,1H3","InChI=1S/C5H10O/c1-4-2-3-5(4)6/h4-6H,2-3H2,1H3/t4-,5+/m1/s1",83.53781,14.832970000000001,
6649,[C:1]([C:2]([C:3]([C:4]([C:5](=[O:6])[H:16])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](/[C:3](=[C:4](/[C:5](=[O:6])[H:16])[H:14])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9].[H:13][H:15],"InChI=1S/C5H10O/c1-2-3-4-5-6/h5H,2-4H2,1H3","InChI=1S/C5H8O.H2/c1-2-3-4-5-6;/h3-5H,2H2,1H3;1H/b4-3+;",88.22341999999999,25.231370000000002,
6650,[C:1]([C:2]([C:3]([C:4]([C:5](=[O:6])[H:16])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C-:5]#[O+:6].[C:1]([C:2]([C:3]([C:4]([H:14])([H:15])[H:16])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-2-3-4-5-6/h5H,2-4H2,1H3","InChI=1S/C4H10.CO/c1-3-4-2;1-2/h3-4H2,1-2H3;",77.05230999999999,-1.7025099999999997,"1,2_Insertion_CO"
6651,[C:1]([C:2]([C:3]([C:4]([C:5](=[O:6])[H:16])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:12])([H:13])[H:15])([H:10])[H:11])([H:7])([H:8])[H:9].[C:4](=[C:5]=[O:6])([H:14])[H:16],"InChI=1S/C5H10O/c1-2-3-4-5-6/h5H,2-4H2,1H3","InChI=1S/C3H8.C2H2O/c1-3-2;1-2-3/h3H2,1-2H3;1H2",76.27625,14.68471,
6652,[N:1]#[C:2][C:3]([C@@:4]1([H:9])[C:5]([H:10])([H:11])[O:6]1)([H:7])[H:8],[N:1]#[C:2][C:3]([C@@:4]([C:5][H:10])([O:6][H:11])[H:9])([H:7])[H:8],"InChI=1S/C4H5NO/c5-2-1-4-3-6-4/h4H,1,3H2/t4-/m0/s1","InChI=1S/C4H5NO/c1-4(6)2-3-5/h1,4,6H,2H2/t4-/m1/s1",69.22346999999999,68.72754,
6653,[N:1]#[C:2][C:3]([C@@:4]1([H:9])[C:5]([H:10])([H:11])[O:6]1)([H:7])[H:8],[C:5](=[O:6])([H:10])[H:11].[N:1]#[C:2][C:4](=[C:3]([H:7])[H:8])[H:9],"InChI=1S/C4H5NO/c5-2-1-4-3-6-4/h4H,1,3H2/t4-/m0/s1","InChI=1S/C3H3N.CH2O/c1-2-3-4;1-2/h2H,1H2;1H2",69.8624,4.39889,
6654,[N:1]#[C:2][C:3]([C@@:4]1([H:9])[C:5]([H:10])([H:11])[O:6]1)([H:7])[H:8],[N:1](=[C:2]=[C:3]([H:7])[H:8])[C:5]([C:4](=[O:6])[H:9])([H:10])[H:11],"InChI=1S/C4H5NO/c5-2-1-4-3-6-4/h4H,1,3H2/t4-/m0/s1","InChI=1S/C4H5NO/c1-2-5-3-4-6/h4H,1,3H2",53.58409,2.9098900000000003,
6655,[N:1]#[C:2][C:3]([C@@:4]1([H:9])[C:5]([H:10])([H:11])[O:6]1)([H:7])[H:8],[N+:1](#[C-:2])[C:3]([C@@:4]1([H:9])[C:5]([H:10])([H:11])[O:6]1)([H:7])[H:8],"InChI=1S/C4H5NO/c5-2-1-4-3-6-4/h4H,1,3H2/t4-/m0/s1","InChI=1S/C4H5NO/c1-5-2-4-3-6-4/h4H,2-3H2/t4-/m0/s1",59.53756,26.675279999999997,
6656,[N:1]#[C:2][C:3]([C@@:4]1([H:9])[C:5]([H:10])([H:11])[O:6]1)([H:7])[H:8],[N-:1]=[C:2]([C:3]([C@@:4]1([H:9])[C:5]([H:11])=[O+:6]1)([H:7])[H:8])[H:10],"InChI=1S/C4H5NO/c5-2-1-4-3-6-4/h4H,1,3H2/t4-/m0/s1","InChI=1S/C4H5NO/c5-2-1-4-3-6-4/h2-4H,1H2/t4-/m0/s1",107.08672,90.50629,
6657,[N:1]#[C:2][C:3]([C@@:4]1([H:9])[C:5]([H:10])([H:11])[O:6]1)([H:7])[H:8],[N:1]#[C:2][C:3]([C-:4]=[O+:6][C:5]([H:9])([H:10])[H:11])([H:7])[H:8],"InChI=1S/C4H5NO/c5-2-1-4-3-6-4/h4H,1,3H2/t4-/m0/s1","InChI=1S/C4H5NO/c1-6-4-2-3-5/h2H2,1H3",72.77625,41.26441,
6658,[N:1]#[C:2][C:3]([C@@:4]1([H:9])[C:5]([H:10])([H:11])[O:6]1)([H:7])[H:8],[N+:1](=[C-:2][C:3]([C:4](=[O:6])[H:9])([H:7])[H:8])=[C:5]([H:10])[H:11],"InChI=1S/C4H5NO/c5-2-1-4-3-6-4/h4H,1,3H2/t4-/m0/s1","InChI=1S/C4H5NO/c1-5-3-2-4-6/h4H,1-2H2",54.617580000000004,22.022779999999997,
6659,[N:1]#[C:2][C:3]([C@@:4]1([H:9])[C:5]([H:10])([H:11])[O:6]1)([H:7])[H:8],[N:1]1([H:11])[C:2][C:3]([H:7])([H:8])[C@@:4]2([H:9])[C@:5]1([H:10])[O:6]2,"InChI=1S/C4H5NO/c5-2-1-4-3-6-4/h4H,1,3H2/t4-/m0/s1","InChI=1S/C4H5NO/c1-2-5-4-3(1)6-4/h3-5H,1H2/t3-,4-/m0/s1",82.7103,43.53601,
6660,[N:1]#[C:2][C:3]([C@@:4]1([H:9])[C:5]([H:10])([H:11])[O:6]1)([H:7])[H:8],[N:1](=[C:2]=[C:3]([C@@:4]1([H:9])[C:5]([H:10])([H:11])[O:6]1)[H:8])[H:7],"InChI=1S/C4H5NO/c5-2-1-4-3-6-4/h4H,1,3H2/t4-/m0/s1","InChI=1S/C4H5NO/c5-2-1-4-3-6-4/h1,4-5H,3H2/t4-/m0/s1",78.5874,17.51499,
6661,[N:1]#[C:2][C:3]([C@@:4]1([H:9])[C:5]([H:10])([H:11])[O:6]1)([H:7])[H:8],[N:1]#[C:2][C:3]([C:4][C:5]([O:6][H:9])([H:10])[H:11])([H:7])[H:8],"InChI=1S/C4H5NO/c5-2-1-4-3-6-4/h4H,1,3H2/t4-/m0/s1","InChI=1S/C4H5NO/c5-3-1-2-4-6/h6H,1,4H2",68.61899,66.67929000000001,
6662,[N:1]#[C:2][C:3]([C@@:4]1([H:9])[C:5]([H:10])([H:11])[O:6]1)([H:7])[H:8],[N:1]#[C:2][C:3]([C:4]([O+:6]=[C-:5][H:10])([H:9])[H:11])([H:7])[H:8],"InChI=1S/C4H5NO/c5-2-1-4-3-6-4/h4H,1,3H2/t4-/m0/s1","InChI=1S/C4H5NO/c1-6-4-2-3-5/h1H,2,4H2",76.96094000000001,48.62712,
6663,[N:1]#[C:2][C:3]([C@@:4]1([H:9])[C:5]([H:10])([H:11])[O:6]1)([H:7])[H:8],[N:1]1=[C:2]([C:3]([C:4](=[O:6])[H:9])([H:7])[H:8])[C:5]1([H:10])[H:11],"InChI=1S/C4H5NO/c5-2-1-4-3-6-4/h4H,1,3H2/t4-/m0/s1","InChI=1S/C4H5NO/c6-2-1-4-3-5-4/h2H,1,3H2",59.81641,16.012970000000003,
6664,[N:1]#[C:2][C:3]([C@@:4]1([H:9])[C:5]([H:10])([H:11])[O:6]1)([H:7])[H:8],[C:5](=[O:6])([H:10])[H:11].[N:1]1=[C:2]2[C:3]([H:7])([H:8])[C@:4]12[H:9],"InChI=1S/C4H5NO/c5-2-1-4-3-6-4/h4H,1,3H2/t4-/m0/s1","InChI=1S/C3H3N.CH2O/c1-2-3(1)4-2;1-2/h2H,1H2;1H2/t2-;/m0./s1",81.79981,76.58949,
6665,[N:1]#[C:2][C:3]([C@@:4]1([H:9])[C:5]([H:10])([H:11])[O:6]1)([H:7])[H:8],[N:1]#[C:2]/[C:3](=[C:4](/[C:5]([O:6][H:7])([H:10])[H:11])[H:9])[H:8],"InChI=1S/C4H5NO/c5-2-1-4-3-6-4/h4H,1,3H2/t4-/m0/s1","InChI=1S/C4H5NO/c5-3-1-2-4-6/h1-2,6H,4H2/b2-1+",49.666940000000004,-14.03094,
6666,[N:1]#[C:2][C:3]([C@@:4]1([H:9])[C:5]([H:10])([H:11])[O:6]1)([H:7])[H:8],[N:1](=[C-:2][C:3]([C:4]1=[O+:6][C:5]1([H:10])[H:11])([H:7])[H:8])[H:9],"InChI=1S/C4H5NO/c5-2-1-4-3-6-4/h4H,1,3H2/t4-/m0/s1","InChI=1S/C4H5NO/c5-2-1-4-3-6-4/h5H,1,3H2",79.79103,60.0073,
6667,[N:1]#[C:2][C:3]([C@@:4]1([H:9])[C:5]([H:10])([H:11])[O:6]1)([H:7])[H:8],[C-:4]1=[O+:6][C:5]1([H:10])[H:11].[N:1](=[C:2]=[C:3]([H:7])[H:8])[H:9],"InChI=1S/C4H5NO/c5-2-1-4-3-6-4/h4H,1,3H2/t4-/m0/s1","InChI=1S/C2H3N.C2H2O/c1-2-3;1-2-3-1/h3H,1H2;1H2",77.17979,76.39634000000001,
6668,[N:1]#[C:2][C:3]([C@@:4]1([H:9])[C:5]([H:10])([H:11])[O:6]1)([H:7])[H:8],[N:1]#[C:2][C:3]([C:4](=[O+:6][C-:5]([H:10])[H:11])[H:9])([H:7])[H:8],"InChI=1S/C4H5NO/c5-2-1-4-3-6-4/h4H,1,3H2/t4-/m0/s1","InChI=1S/C4H5NO/c1-6-4-2-3-5/h4H,1-2H2",52.941359999999996,42.27817,
6669,[N:1]#[C:2][C:3]([C@@:4]1([H:9])[C:5]([H:10])([H:11])[O:6]1)([H:7])[H:8],[N:1]#[C:2][C:3]([O:6][C:5]([C:4][H:9])([H:10])[H:11])([H:7])[H:8],"InChI=1S/C4H5NO/c5-2-1-4-3-6-4/h4H,1,3H2/t4-/m0/s1","InChI=1S/C4H5NO/c1-2-6-4-3-5/h1H,2,4H2",102.58626,89.14586,
6670,[N:1]#[C:2][C:3]([C@@:4]1([H:9])[C:5]([H:10])([H:11])[O:6]1)([H:7])[H:8],[H:7][H:9].[N:1]#[C:2]/[C:3](=[C:4]1\[C:5]([H:10])([H:11])[O:6]1)[H:8],"InChI=1S/C4H5NO/c5-2-1-4-3-6-4/h4H,1,3H2/t4-/m0/s1","InChI=1S/C4H3NO.H2/c5-2-1-4-3-6-4;/h1H,3H2;1H/b4-1+;",101.51187,28.979159999999997,
6671,[N:1]#[C:2][C:3]([C@@:4]1([H:9])[C:5]([H:10])([H:11])[O:6]1)([H:7])[H:8],[N:1]#[C:2][O:6][C:5]([C:4](=[C:3]([H:7])[H:8])[H:9])([H:10])[H:11],"InChI=1S/C4H5NO/c5-2-1-4-3-6-4/h4H,1,3H2/t4-/m0/s1","InChI=1S/C4H5NO/c1-2-3-6-4-5/h2H,1,3H2",61.508680000000005,2.77875,
6672,[O:1]([C:2]([C:3]#[N:4])([H:6])[H:7])[H:5],[O:1]([C:2]([N+:4]#[C-:3])([H:6])[H:7])[H:5],"InChI=1S/C2H3NO/c3-1-2-4/h4H,2H2","InChI=1S/C2H3NO/c1-3-2-4/h4H,2H2",51.449690000000004,22.36373,
6673,[O:1]([C:2]([C:3]#[N:4])([H:6])[H:7])[H:5],[O:1]([C:2](=[C:3]=[N:4][H:7])[H:6])[H:5],"InChI=1S/C2H3NO/c3-1-2-4/h4H,2H2",InChI=1S/C2H3NO/c3-1-2-4/h2-4H,88.4402,81.34039,
6674,[O:1]([C:2]([C:3]#[N:4])([H:6])[H:7])[H:5],[C:3]=[N:4][H:5].[O:1]=[C:2]([H:6])[H:7],"InChI=1S/C2H3NO/c3-1-2-4/h4H,2H2",InChI=1S/CHN.CH2O/c2*1-2/h2H;1H2,60.677569999999996,39.68755,
6675,[O:1]([C:2]([C:3]#[N:4])([H:6])[H:7])[H:5],[C+:2](=[C:3]=[N-:4])[H:6].[O:1]([H:5])[H:7],"InChI=1S/C2H3NO/c3-1-2-4/h4H,2H2",InChI=1S/C2HN.H2O/c1-2-3;/h1H;1H2,68.40992,82.23738,
6676,[O:1]([C:2]([C:3]#[N:4])([H:6])[H:7])[H:5],[O:1]([N:4]=[C:3]=[C:2]([H:6])[H:7])[H:5],"InChI=1S/C2H3NO/c3-1-2-4/h4H,2H2","InChI=1S/C2H3NO/c1-2-3-4/h4H,1H2",87.29330999999999,46.66625,
6677,[O:1]([c:2]1[n:3][n:4]([H:8])[n:5][c:6]1[H:9])[H:7],[O:1]([C:2]1=[N:3][N+:5]([N-:4][H:8])=[C:6]1[H:9])[H:7],"InChI=1S/C2H3N3O/c6-2-1-3-5-4-2/h1H,(H2,3,4,5,6)","InChI=1S/C2H3N3O/c3-5-1-2(6)4-5/h1H,(H2,3,4,6)",82.47523000000001,71.19492,
6678,[O:1]([c:2]1[n:3][n:4]([H:8])[n:5][c:6]1[H:9])[H:7],[N-:4]([N+:5]#[C:6][H:9])[H:8].[O:1]([C:2]#[N:3])[H:7],"InChI=1S/C2H3N3O/c6-2-1-3-5-4-2/h1H,(H2,3,4,5,6)",InChI=1S/CH2N2.CHNO/c1-3-2;2-1-3/h1-2H;3H,67.60413,60.01477,
6679,[O:1]([c:2]1[n:3][n:4]([H:8])[n:5][c:6]1[H:9])[H:7],[O:1]([c:2]1[n:3]([H:8])[n:4][n:5][c:6]1[H:9])[H:7],"InChI=1S/C2H3N3O/c6-2-1-3-5-4-2/h1H,(H2,3,4,5,6)","InChI=1S/C2H3N3O/c6-2-1-3-5-4-2/h1H,(H2,3,4,5,6)",46.737190000000005,13.834679999999999,
6680,[O:1]([c:2]1[n:3][n:4]([H:8])[n:5][c:6]1[H:9])[H:7],[O:1]([C:2]1=[N:3][C@:6]1(/[N:5]=[N:4]/[H:8])[H:9])[H:7],"InChI=1S/C2H3N3O/c6-2-1-3-5-4-2/h1H,(H2,3,4,5,6)","InChI=1S/C2H3N3O/c3-5-1-2(6)4-1/h1,3H,(H,4,6)/b5-3+/t1-/m0/s1",64.16441999999999,55.3954,
6681,[O:1]([c:2]1[n:3][n:4]([H:8])[n:5][c:6]1[H:9])[H:7],[O:1]=[c:2]1[n:3]([H:7])[n:4]([H:8])[n:5][c:6]1[H:9],"InChI=1S/C2H3N3O/c6-2-1-3-5-4-2/h1H,(H2,3,4,5,6)","InChI=1S/C2H3N3O/c6-2-1-3-5-4-2/h1H,(H2,3,4,5,6)",47.631679999999996,10.53085,ketoenol
6682,[O:1]([c:2]1[n:3][n:4]([H:8])[n:5][c:6]1[H:9])[H:7],[N:5]#[C:6][H:9].[O:1]([C:2]#[N+:3][N-:4][H:8])[H:7],"InChI=1S/C2H3N3O/c6-2-1-3-5-4-2/h1H,(H2,3,4,5,6)","InChI=1S/CH2N2O.CHN/c2-3-1-4;1-2/h2,4H;1H",67.49996,63.05967,
6683,[O:1]([c:2]1[n:3][n:4]([H:8])[n:5][c:6]1[H:9])[H:7],[O:1]([c:2]1[n:3][n:4][n:5]([H:8])[c:6]1[H:9])[H:7],"InChI=1S/C2H3N3O/c6-2-1-3-5-4-2/h1H,(H2,3,4,5,6)","InChI=1S/C2H3N3O/c6-2-1-3-5-4-2/h1H,(H2,3,4,5,6)",44.86864,7.09391,
6684,[O:1]([c:2]1[n:3][n:4]([H:8])[n:5][c:6]1[H:9])[H:7],[O:1]([C:2]([N:3]=[N:4][H:8])=[C:6]=[N:5][H:9])[H:7],"InChI=1S/C2H3N3O/c6-2-1-3-5-4-2/h1H,(H2,3,4,5,6)","InChI=1S/C2H3N3O/c3-1-2(6)5-4/h3-4,6H",80.45033000000001,44.00237,
6685,[O:1]([c:2]1[n:3][n:4]([H:8])[n:5][c:6]1[H:9])[H:7],[O:1]([C@:2]1(/[N:3]=[N:4]/[H:8])[N:5]=[C:6]1[H:9])[H:7],"InChI=1S/C2H3N3O/c6-2-1-3-5-4-2/h1H,(H2,3,4,5,6)","InChI=1S/C2H3N3O/c3-5-2(6)1-4-2/h1,3,6H/b5-3+/t2-/m0/s1",68.3656,59.72088000000001,
6686,[O:1]([c:2]1[n:3][n:4]([H:8])[n:5][c:6]1[H:9])[H:7],[O:1](/[C:2](=[N:3]/[N:4]([N+:5]#[C-:6])[H:8])[H:9])[H:7],"InChI=1S/C2H3N3O/c6-2-1-3-5-4-2/h1H,(H2,3,4,5,6)","InChI=1S/C2H3N3O/c1-3-5-4-2-6/h2,5H,(H,4,6)",86.28926,60.55495,
6687,[O:1]([c:2]1[n:3][n:4]([H:8])[n:5][c:6]1[H:9])[H:7],[O:1]([N:3]=[C:2]=[C:6]([N:5]=[N:4][H:8])[H:9])[H:7],"InChI=1S/C2H3N3O/c6-2-1-3-5-4-2/h1H,(H2,3,4,5,6)","InChI=1S/C2H3N3O/c3-4-1-2-5-6/h1,3,6H",106.80703000000001,79.26527,
6688,[O:1]([c:2]1[n:3][n:4]([H:8])[n:5][c:6]1[H:9])[H:7],[O:1][C:2]1=[N:3][N:4]([H:8])[N:5][C:6]1([H:7])[H:9],"InChI=1S/C2H3N3O/c6-2-1-3-5-4-2/h1H,(H2,3,4,5,6)","InChI=1S/C2H3N3O/c6-2-1-3-5-4-2/h5H,1H2",68.84832,21.0336,
6689,[O:1]([c:2]1[n:3][n:4]([H:8])[n:5][c:6]1[H:9])[H:7],[O:1]([C:2]1=[C:6]=[N+:5]([H:9])[N:4]([H:8])[N-:3]1)[H:7],"InChI=1S/C2H3N3O/c6-2-1-3-5-4-2/h1H,(H2,3,4,5,6)",InChI=1S/C2H2N3O/c6-2-1-3-5-4-2/h5-6H/q-1/p+1,80.45818,47.80843,
6690,[C:1]1([H:6])([H:7])[C:2]([H:8])([H:9])[O:3][C:4]([H:10])([H:11])[O:5]1,[C:1]([C:2]([O+:3]=[C-:4][H:10])([H:8])[H:9])([O:5][H:11])([H:6])[H:7],InChI=1S/C3H6O2/c1-2-5-3-4-1/h1-3H2,"InChI=1S/C3H6O2/c1-5-3-2-4/h1,4H,2-3H2",54.773430000000005,51.506370000000004,
6691,[C:1]1([H:6])([H:7])[C:2]([H:8])([H:9])[O:3][C:4]([H:10])([H:11])[O:5]1,[C:1]([C:2]([H:7])([H:8])[H:9])(=[O:5])[H:6].[O:3]=[C:4]([H:10])[H:11],InChI=1S/C3H6O2/c1-2-5-3-4-1/h1-3H2,"InChI=1S/C2H4O.CH2O/c1-2-3;1-2/h2H,1H3;1H2",56.15551,3.5266900000000003,
6692,[C:1]1([H:6])([H:7])[C:2]([H:8])([H:9])[O:3][C:4]([H:10])([H:11])[O:5]1,[C:1]1([H:7])=[C:2]([H:8])[O:3][C:4]([H:10])([H:11])[O:5]1.[H:6][H:9],InChI=1S/C3H6O2/c1-2-5-3-4-1/h1-3H2,"InChI=1S/C3H4O2.H2/c1-2-5-3-4-1;/h1-2H,3H2;1H",94.0631,27.1913,
6693,[C:1]1([H:6])([H:7])[C:2]([H:8])([H:9])[O:3][C:4]([H:10])([H:11])[O:5]1,[C-:1]1([H:7])[C:2]([H:8])([H:9])[O:3][C:4]([H:11])=[O+:5]1.[H:6][H:10],InChI=1S/C3H6O2/c1-2-5-3-4-1/h1-3H2,"InChI=1S/C3H4O2.H2/c1-2-5-3-4-1;/h1,3H,2H2;1H",70.12516,70.75347,
6694,[C:1]1([H:6])([H:7])[C:2]([H:8])([H:9])[O:3][C:4]([H:10])([H:11])[O:5]1,[C:1]1([H:6])([H:7])[C:2]([H:8])([H:9])[O:3][C-:4]=[O+:5]1.[H:10][H:11],InChI=1S/C3H6O2/c1-2-5-3-4-1/h1-3H2,InChI=1S/C3H4O2.H2/c1-2-5-3-4-1;/h1-2H2;1H,68.55605,38.8251,
6695,[C:1]1([H:6])([H:7])[C:2]([H:8])([H:9])[O:3][C:4]([H:10])([H:11])[O:5]1,[C:1]1([H:6])([H:7])[C:2]([H:8])([H:9])[O:3]1.[C:4](=[O:5])([H:10])[H:11],InChI=1S/C3H6O2/c1-2-5-3-4-1/h1-3H2,InChI=1S/C2H4O.CH2O/c1-2-3-1;1-2/h1-2H2;1H2,65.34616,31.059440000000002,
6696,[C:1]1([H:6])([H:7])[C:2]([H:8])([H:9])[O:3][C:4]([H:10])([H:11])[O:5]1,[C-:1]1=[O+:5][C:4]([H:10])([H:11])[O:3][C:2]1([H:8])[H:9].[H:6][H:7],InChI=1S/C3H6O2/c1-2-5-3-4-1/h1-3H2,"InChI=1S/C3H4O2.H2/c1-2-5-3-4-1;/h1,3H2;1H",73.37193,62.733340000000005,
6697,[C:1]1([H:6])([H:7])[C:2]([H:8])([H:9])[O:3][C:4]([H:10])([H:11])[O:5]1,[C:1]([O:5][C:4]([O+:3]=[C-:2][H:9])([H:10])[H:11])([H:6])([H:7])[H:8],InChI=1S/C3H6O2/c1-2-5-3-4-1/h1-3H2,"InChI=1S/C3H6O2/c1-4-3-5-2/h1H,3H2,2H3",70.2601,64.23997,
6698,[C:1]([N:2]([C:3](=[O:4])[O:5][C:6]([H:11])([H:12])[H:13])[H:10])([H:7])([H:8])[H:9],[C-:1]([N+:2]([C:3](=[O:4])[O:5][C:6]([H:11])([H:12])[H:13])([H:8])[H:10])([H:7])[H:9],"InChI=1S/C3H7NO2/c1-4-3(5)6-2/h1-2H3,(H,4,5)","InChI=1S/C3H7NO2/c1-4-3(5)6-2/h1,4H2,2H3",90.97123,78.51875,
6699,[C:1]([N:2]([C:3](=[O:4])[O:5][C:6]([H:11])([H:12])[H:13])[H:10])([H:7])([H:8])[H:9],[C:1]([N:2]=[C:3]=[O:4])([H:7])([H:8])[H:9].[O:5]([C:6]([H:11])([H:12])[H:13])[H:10],"InChI=1S/C3H7NO2/c1-4-3(5)6-2/h1-2H3,(H,4,5)","InChI=1S/C2H3NO.CH4O/c1-3-2-4;1-2/h1H3;2H,1H3",44.7068,19.97454,"1,3_Insertion_ROR"
6700,[C:1]([N:2]([C:3](=[O:4])[O:5][C:6]([H:11])([H:12])[H:13])[H:10])([H:7])([H:8])[H:9],[C:1](=[N:2][H:10])([H:7])[H:9].[C:3](=[O:4])([O:5][C:6]([H:11])([H:12])[H:13])[H:8],"InChI=1S/C3H7NO2/c1-4-3(5)6-2/h1-2H3,(H,4,5)","InChI=1S/C2H4O2.CH3N/c1-4-2-3;1-2/h2H,1H3;2H,1H2",95.31777,31.46589,
6701,[C:1]([N:2]([C:3](=[O:4])[O:5][C:6]([H:11])([H:12])[H:13])[H:10])([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:13].[N:2](=[C:3]=[O:4])[H:10].[O:5]=[C:6]([H:11])[H:12],"InChI=1S/C3H7NO2/c1-4-3(5)6-2/h1-2H3,(H,4,5)",InChI=1S/CHNO.CH2O.CH4/c2-1-3;1-2;/h2H;1H2;1H4,95.58541,22.12596,
6702,[C:1]([N:2]([C:3](=[O:4])[O:5][C:6]([H:11])([H:12])[H:13])[H:10])([H:7])([H:8])[H:9],[C:1]([N:2]([C:3](=[O:4])[H:13])[H:10])([H:7])([H:8])[H:9].[O:5]=[C:6]([H:11])[H:12],"InChI=1S/C3H7NO2/c1-4-3(5)6-2/h1-2H3,(H,4,5)","InChI=1S/C2H5NO.CH2O/c1-3-2-4;1-2/h2H,1H3,(H,3,4);1H2",80.3193,26.06336,
6703,[C:1]([N:2]([C:3](=[O:4])[O:5][C:6]([H:11])([H:12])[H:13])[H:10])([H:7])([H:8])[H:9],[C:1](/[N:2]=[C:3](/[O:4][H:10])[O:5][C:6]([H:11])([H:12])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C3H7NO2/c1-4-3(5)6-2/h1-2H3,(H,4,5)","InChI=1S/C3H7NO2/c1-4-3(5)6-2/h1-2H3,(H,4,5)",45.37278,17.9394,ketoenol
6704,[C:1]([N:2]([C:3](=[O:4])[O:5][C:6]([H:11])([H:12])[H:13])[H:10])([H:7])([H:8])[H:9],[C:1]([N:2]([C:6]([H:11])([H:12])[H:13])[H:10])([H:7])([H:8])[H:9].[C:3](=[O:4])=[O:5],"InChI=1S/C3H7NO2/c1-4-3(5)6-2/h1-2H3,(H,4,5)","InChI=1S/C2H7N.CO2/c1-3-2;2-1-3/h3H,1-2H3;",63.010569999999994,-1.75511,"1,3_Insertion_CO2"
6705,[C:1]([N:2]([C:3](=[O:4])[O:5][C:6]([H:11])([H:12])[H:13])[H:10])([H:7])([H:8])[H:9],[C:1]([O:4][C:3](=[N:2][H:10])[O:5][C:6]([H:11])([H:12])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C3H7NO2/c1-4-3(5)6-2/h1-2H3,(H,4,5)","InChI=1S/C3H7NO2/c1-5-3(4)6-2/h4H,1-2H3",71.86863000000001,22.3625,ketoenol
6706,[O:1]=[C:2]([C:3]#[C:4][C:5](=[O:6])[H:8])[H:7],[C-:3]#[C:4][C+:5]([O:6][H:7])[H:8].[O+:1]#[C-:2],InChI=1S/C4H2O2/c5-3-1-2-4-6/h3-4H,InChI=1S/C3H2O.CO/c1-2-3-4;1-2/h3-4H;,53.68812,42.77797,
6707,[O:1]=[C:2]([C:3]#[C:4][C:5](=[O:6])[H:8])[H:7],[O:1]=[C:2]=[C:3]=[C:4]=[C:5]([O:6][H:7])[H:8],InChI=1S/C4H2O2/c5-3-1-2-4-6/h3-4H,"InChI=1S/C4H2O2/c5-3-1-2-4-6/h3,5H",47.821259999999995,-0.27792,
6708,[O:1]=[C:2]([C:3]#[C:4][C:5](=[O:6])[H:8])[H:7],[O+:1](=[C:2]([C:3]#[C-:4])[H:7])[C:5](=[O:6])[H:8],InChI=1S/C4H2O2/c5-3-1-2-4-6/h3-4H,InChI=1S/C4H2O2/c1-2-3-6-4-5/h3-4H,55.17799,44.18448,
6709,[O:1]=[C:2]([C:3]#[C:4][C:5](=[O:6])[H:8])[H:7],[O:1]=[C:4]([C:3]#[C:2][H:7])[C:5](=[O:6])[H:8],InChI=1S/C4H2O2/c5-3-1-2-4-6/h3-4H,"InChI=1S/C4H2O2/c1-2-4(6)3-5/h1,3H",71.61118,1.07705,
6710,[O:1]=[C:2]([C:3]#[C:4][C:5](=[O:6])[H:8])[H:7],[C:5](=[O:6])([H:7])[H:8].[O+:1]#[C:2][C:3]#[C-:4],InChI=1S/C4H2O2/c5-3-1-2-4-6/h3-4H,InChI=1S/C3O.CH2O/c1-2-3-4;1-2/h;1H2,73.93001,34.49289,
6711,[O:1]=[C:2]([C:3]#[C:4][C:5](=[O:6])[H:8])[H:7],[O:1]=[C:2]([C:3](=[C:4])[C:5](=[O:6])[H:8])[H:7],InChI=1S/C4H2O2/c5-3-1-2-4-6/h3-4H,InChI=1S/C4H2O2/c1-4(2-5)3-6/h2-3H,48.06373,47.22746,
6712,[O:1]=[C:2]([C:3]#[C:4][C:5](=[O:6])[H:8])[H:7],[O-:1][O+:6]=[C:5]([C:4]1=[C:3]=[C:2]1[H:7])[H:8],InChI=1S/C4H2O2/c5-3-1-2-4-6/h3-4H,"InChI=1S/C4H2O2/c5-6-3-4-1-2-4/h1,3H",138.12852,130.82862,
6713,[O:1]=[C:2]([C:3]#[C:4][C:5](=[O:6])[H:8])[H:7],[O:1]=[C:2]([C:4]1=[C:3]2[C@@:5]1([H:8])[O:6]2)[H:7],InChI=1S/C4H2O2/c5-3-1-2-4-6/h3-4H,"InChI=1S/C4H2O2/c5-1-2-3-4(2)6-3/h1,3H/t3-/m0/s1",101.47312,53.790369999999996,
6714,[O:1]=[C:2]([C:3]#[C:4][C:5](=[O:6])[H:8])[H:7],[O-:1][C:2](=[C:3]=[C:4]([C:5]#[O+:6])[H:8])[H:7],InChI=1S/C4H2O2/c5-3-1-2-4-6/h3-4H,"InChI=1S/C4H2O2/c5-3-1-2-4-6/h1,4H",47.23465,4.1527199999999995,
6715,[O:1]=[C:2]([C:3]#[C:4][C:5](=[O:6])[H:8])[H:7],[O:1]([C-:2]=[C:3]=[C+:4][C:5](=[O:6])[H:8])[H:7],InChI=1S/C4H2O2/c5-3-1-2-4-6/h3-4H,"InChI=1S/C4H2O2/c5-3-1-2-4-6/h3,6H",72.41198,40.77552,
6716,[O:1]=[C:2]([C:3]#[C:4][C:5](=[O:6])[H:8])[H:7],[O:1]=[C:2]([C:3]#[C:4][O+:6]=[C-:5][H:8])[H:7],InChI=1S/C4H2O2/c5-3-1-2-4-6/h3-4H,"InChI=1S/C4H2O2/c1-6-4-2-3-5/h1,3H",95.54141,82.39856,
6717,[O:1]=[C:2]([C:3]#[C:4][C:5](=[O:6])[H:8])[H:7],[o:1]1[c:2]([H:7])[c:3]([C:4]#[C:5][H:8])[o:6]1,InChI=1S/C4H2O2/c5-3-1-2-4-6/h3-4H,"InChI=1S/C4H2O2/c1-2-4-3-5-6-4/h1,3H",131.4686,79.868,
6718,[O:1]=[C:2]([C:3]#[C:4][C:5](=[O:6])[H:8])[H:7],[O:1]=[C:2]=[C:3]=[C:4]([C:5](=[O:6])[H:8])[H:7],InChI=1S/C4H2O2/c5-3-1-2-4-6/h3-4H,"InChI=1S/C4H2O2/c5-3-1-2-4-6/h1,3H",73.34402,-10.891,
6719,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[O:3][C:4]([H:10])=[N:5][C@@:6]12[H:11],[C:1]1([H:7])([H:8])[C:2]([H:9])([H:11])[O:3][C:4]([H:10])=[N+:5]=[C-:6]1,"InChI=1S/C4H5NO/c1-3-4(1)6-2-5-3/h2-4H,1H2/t3-,4+/m0/s1","InChI=1S/C4H5NO/c1-2-5-4-6-3-1/h4H,1,3H2",60.27541,42.71969,
6720,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[O:3][C:4]([H:10])=[N:5][C@@:6]12[H:11],[C:1](=[C:6]([C:2](=[O:3])[H:9])[H:11])([H:7])[H:8].[C:4](#[N:5])[H:10],"InChI=1S/C4H5NO/c1-3-4(1)6-2-5-3/h2-4H,1H2/t3-,4+/m0/s1","InChI=1S/C3H4O.CHN/c1-2-3-4;1-2/h2-3H,1H2;1H",50.87104,6.1783,
6721,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[O:3][C:4]([H:10])=[N:5][C@@:6]12[H:11],[C:1](=[C:2](/[C:6](=[N:5]\[C:4](=[O:3])[H:10])[H:11])[H:9])([H:7])[H:8],"InChI=1S/C4H5NO/c1-3-4(1)6-2-5-3/h2-4H,1H2/t3-,4+/m0/s1","InChI=1S/C4H5NO/c1-2-3-5-4-6/h2-4H,1H2/b5-3-",34.51014,-8.801210000000001,
6722,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[O:3][C:4]([H:10])=[N:5][C@@:6]12[H:11],[C:1]([C:2](=[O:3])[H:9])([C@@:6]1([H:11])[C:4]([H:10])=[N:5]1)([H:7])[H:8],"InChI=1S/C4H5NO/c1-3-4(1)6-2-5-3/h2-4H,1H2/t3-,4+/m0/s1","InChI=1S/C4H5NO/c6-2-1-4-3-5-4/h2-4H,1H2/t4-/m0/s1",65.10875,19.59481,
6723,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[O:3][C:4]([H:10])=[N:5][C@@:6]12[H:11],[C:1](=[C:2]([O:3][C@@:4]1([H:10])[N:5]=[C:6]1[H:11])[H:9])([H:7])[H:8],"InChI=1S/C4H5NO/c1-3-4(1)6-2-5-3/h2-4H,1H2/t3-,4+/m0/s1","InChI=1S/C4H5NO/c1-2-6-4-3-5-4/h2-4H,1H2/t4-/m1/s1",81.93511,34.605,
6724,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[O:3][C:4]([H:10])=[N:5][C@@:6]12[H:11],[C:1]([C@@:2]1([H:9])[O:3][C:4]([H:10])=[N:5][C:6]1([H:8])[H:11])[H:7],"InChI=1S/C4H5NO/c1-3-4(1)6-2-5-3/h2-4H,1H2/t3-,4+/m0/s1","InChI=1S/C4H5NO/c1-4-2-5-3-6-4/h1,3-4H,2H2/t4-/m1/s1",62.36285,67.4951,
6725,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[O:3][C:4]([H:10])=[N:5][C@@:6]12[H:11],[C:1]1([H:8])=[C:2]([H:9])[C:6]1([N:5]([C:4](=[O:3])[H:10])[H:7])[H:11],"InChI=1S/C4H5NO/c1-3-4(1)6-2-5-3/h2-4H,1H2/t3-,4+/m0/s1","InChI=1S/C4H5NO/c6-3-5-4-1-2-4/h1-4H,(H,5,6)",78.22821,16.71225,
6726,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[O:3][C:4]([H:10])=[N:5][C@@:6]12[H:11],[C:1](=[C:2]([O:3][C:4](=[N+:5]=[C-:6][H:11])[H:10])[H:9])([H:7])[H:8],"InChI=1S/C4H5NO/c1-3-4(1)6-2-5-3/h2-4H,1H2/t3-,4+/m0/s1","InChI=1S/C4H5NO/c1-3-6-4-5-2/h2-4H,1H2",39.23483,42.45262,
6727,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[O:3][C:4]([H:10])=[N:5][C@@:6]12[H:11],[C:1]1([H:7])([H:8])[C:2]([H:9])=[C:6]1[H:11].[O:3][C:4](=[N:5])[H:10],"InChI=1S/C4H5NO/c1-3-4(1)6-2-5-3/h2-4H,1H2/t3-,4+/m0/s1","InChI=1S/C3H4.CHNO/c1-2-3-1;2-1-3/h1-2H,3H2;1H",106.68905,107.9196,
6728,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[O:3][C:4]([H:10])=[N:5][C@@:6]12[H:11],[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[O+:3]=[C:4]([H:10])[N:5]([H:11])[C-:6]12,"InChI=1S/C4H5NO/c1-3-4(1)6-2-5-3/h2-4H,1H2/t3-,4+/m0/s1","InChI=1S/C4H5NO/c1-3-4(1)6-2-5-3/h2,4-5H,1H2/t4-/m1/s1",85.39537,56.19395,
6729,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[O:3][C:4]([H:10])=[N:5][C@@:6]12[H:11],[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[O+:3]=[C-:4][N:5]([H:10])[C@@:6]12[H:11],"InChI=1S/C4H5NO/c1-3-4(1)6-2-5-3/h2-4H,1H2/t3-,4+/m0/s1","InChI=1S/C4H5NO/c1-3-4(1)6-2-5-3/h3-5H,1H2/t3-,4+/m0/s1",67.24901,30.19475,
6730,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[O:3][C:4]([H:10])=[N:5][C@@:6]12[H:11],[C:1]([C:2](=[O:3])[H:9])([C:6](=[N+:5]=[C-:4][H:10])[H:11])([H:7])[H:8],"InChI=1S/C4H5NO/c1-3-4(1)6-2-5-3/h2-4H,1H2/t3-,4+/m0/s1","InChI=1S/C4H5NO/c1-5-3-2-4-6/h1,3-4H,2H2",29.128490000000003,26.09243,
6731,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[O:3][C:4]([H:10])=[N:5][C@@:6]12[H:11],[C:1]([C@@:6]1([H:11])[C:2]([H:7])([H:9])[O:3][C:4]([H:10])=[N:5]1)[H:8],"InChI=1S/C4H5NO/c1-3-4(1)6-2-5-3/h2-4H,1H2/t3-,4+/m0/s1","InChI=1S/C4H5NO/c1-4-2-6-3-5-4/h1,3-4H,2H2/t4-/m0/s1",68.74084,74.81353,
6732,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[O:3][C:4]([H:10])=[N:5][C@@:6]12[H:11],[C:1]1([H:7])([H:8])[C-:2]=[O+:3][C:4]([H:10])=[N:5][C:6]1([H:9])[H:11],"InChI=1S/C4H5NO/c1-3-4(1)6-2-5-3/h2-4H,1H2/t3-,4+/m0/s1","InChI=1S/C4H5NO/c1-2-5-4-6-3-1/h4H,1-2H2",55.29365,42.21012,
6733,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[O:3][C:4]([H:10])=[N:5][C@@:6]12[H:11],[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[O:3][C@:4]2([H:10])[N:5]=[C:6]1[H:11],"InChI=1S/C4H5NO/c1-3-4(1)6-2-5-3/h2-4H,1H2/t3-,4+/m0/s1","InChI=1S/C4H5NO/c1-2-5-4-3(1)6-4/h2-4H,1H2/t3-,4+/m1/s1",87.56835,86.77909,
6734,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[O:3][C:4]([H:10])=[N:5][C@@:6]12[H:11],[C:1]([C@@:6]1([H:11])[C-:2]=[O+:3][C:4]([H:10])=[N:5]1)([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-3-4(1)6-2-5-3/h2-4H,1H2/t3-,4+/m0/s1","InChI=1S/C4H5NO/c1-4-2-6-3-5-4/h3-4H,1H3/t4-/m0/s1",53.02146,31.91484,
6735,[O:1]=[c:2]1[n:3]([H:7])[c:4]([H:8])[n:5][o:6]1,[N:3]([C:4]#[N:5])([H:7])[H:8].[O:1]=[C:2]=[O:6],"InChI=1S/C2H2N2O2/c5-2-3-1-4-6-2/h1H,(H,3,4,5)",InChI=1S/CH2N2.CO2/c2*2-1-3/h2H2;,48.39032,-28.44394,
6736,[O:1]=[c:2]1[n:3]([H:7])[c:4]([H:8])[n:5][o:6]1,[O:1]([c:2]1=[n:3][c:4]([H:8])[n:5][o:6]1)[H:7],"InChI=1S/C2H2N2O2/c5-2-3-1-4-6-2/h1H,(H,3,4,5)","InChI=1S/C2H2N2O2/c5-2-3-1-4-6-2/h1H,(H,3,4,5)",50.6498,6.641780000000001,ketoenol
6737,[O:1]=[c:2]1[n:3]([H:7])[c:4]([H:8])[n:5][o:6]1,[C:4](#[N+:5][O-:6])[H:8].[O:1]=[C:2]=[N:3][H:7],"InChI=1S/C2H2N2O2/c5-2-3-1-4-6-2/h1H,(H,3,4,5)",InChI=1S/2CHNO/c1-2-3;2-1-3/h1H;2H,57.317409999999995,37.93479,
6738,[O:1]=[c:2]1[n:3]([H:7])[c:4]([H:8])[n:5][o:6]1,[N:3](=[C:4]=[N:5][H:8])[H:7].[O:1]=[C:2]=[O:6],"InChI=1S/C2H2N2O2/c5-2-3-1-4-6-2/h1H,(H,3,4,5)",InChI=1S/CH2N2.CO2/c2*2-1-3/h2-3H;,48.37084,-31.59383,
6739,[O:1]=[c:2]1[n:3]([H:7])[c:4]([H:8])[n:5][o:6]1,[O:1]=[C:2]([N:3]([H:7])[H:8])[O:6][N+:5]#[C-:4],"InChI=1S/C2H2N2O2/c5-2-3-1-4-6-2/h1H,(H,3,4,5)","InChI=1S/C2H2N2O2/c1-4-6-2(3)5/h(H2,3,5)",88.59159,47.97487,
6740,[O:1]=[c:2]1[n:3]([H:7])[c:4]([H:8])[n:5][o:6]1,[N:3](=[C:4](/[N:5]=[O:6])[H:8])\[H:7].[O+:1]#[C-:2],"InChI=1S/C2H2N2O2/c5-2-3-1-4-6-2/h1H,(H,3,4,5)",InChI=1S/CH2N2O.CO/c2-1-3-4;1-2/h1-2H;/b2-1+;,69.88333,63.291709999999995,
6741,[C:1]([C:2]([C:3](=[O:4])[C:5]([C:6]([H:14])([H:15])[H:16])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([H:7])([H:10])[H:11])([O+:4]=[C-:3][C:5]([C:6]([H:14])([H:15])[H:16])([H:12])[H:13])([H:8])[H:9],"InChI=1S/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H3","InChI=1S/C5H10O/c1-3-5-6-4-2/h3-4H2,1-2H3",102.26124,68.77168,
6742,[C:1]([C:2]([C:3](=[O:4])[C:5]([C:6]([H:14])([H:15])[H:16])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C-:1]([O+:4]=[C:3]([C:2]([H:7])([H:10])[H:11])[C:5]([C:6]([H:14])([H:15])[H:16])([H:12])[H:13])([H:8])[H:9],"InChI=1S/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H3","InChI=1S/C5H10O/c1-4-5(2)6-3/h3-4H2,1-2H3",101.67566,65.21914,
6743,[C:1]([C:2]([C:3](=[O:4])[C:5]([C:6]([H:14])([H:15])[H:16])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C@@:5]([C:3](=[O:4])[H:12])([C:6]([H:14])([H:15])[H:16])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H3","InChI=1S/C5H10O/c1-3-5(2)4-6/h4-5H,3H2,1-2H3/t5-/m0/s1",71.95963,7.783119999999999,
6744,[C:1]([C:2]([C:3](=[O:4])[C:5]([C:6]([H:14])([H:15])[H:16])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](/[C:3]([O:4][H:12])=[C:5](/[C:6]([H:14])([H:15])[H:16])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H3","InChI=1S/C5H10O/c1-3-5(6)4-2/h3,6H,4H2,1-2H3/b5-3-",66.40834,8.42631,ketoenol
6745,[C:1]([C:2]([C:3](=[O:4])[C:5]([C:6]([H:14])([H:15])[H:16])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([H:10])([H:11])[H:12])([H:7])([H:8])[H:9].[C:3](=[O:4])=[C:5]([C:6]([H:14])([H:15])[H:16])[H:13],"InChI=1S/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H3","InChI=1S/C3H4O.C2H6/c1-2-3-4;1-2/h2H,1H3;1-2H3",76.98423000000001,22.84479,
6746,[C:1]([C:2]([C:3](=[O:4])[C:5]([C:6]([H:14])([H:15])[H:16])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:3]([C:2]([C:5]([C:6]([H:14])([H:15])[H:16])([H:12])[H:13])([H:10])[H:11])=[O:4])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H3","InChI=1S/C5H10O/c1-3-4-5(2)6/h3-4H2,1-2H3",85.86484,1.57541,
6747,[C:1]([C:2]([C:3](=[O:4])[C:5]([C:6]([H:14])([H:15])[H:16])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:4][C:3](=[C:2]([H:10])[H:11])[C:5]([C:6]([H:14])([H:15])[H:16])([H:12])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H3","InChI=1S/C5H10O/c1-4-5(2)6-3/h2,4H2,1,3H3",83.52037,20.76535,ketoenol
6748,[C:1]([C:2]([C:3](=[O:4])[C:5]([C:6]([H:14])([H:15])[H:16])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3](=[O:4])[C:5](=[C:6]([H:14])[H:16])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9].[H:12][H:15],"InChI=1S/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H3","InChI=1S/C5H8O.H2/c1-3-5(6)4-2;/h3H,1,4H2,2H3;1H",95.27919,29.865309999999997,
6749,[C:1]([C:2]([C:3](=[O:4])[C:5]([C:6]([H:14])([H:15])[H:16])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:10].[C:2](=[C:3]=[O:4])([C:5]([C:6]([H:14])([H:15])[H:16])([H:12])[H:13])[H:11],"InChI=1S/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H3","InChI=1S/C4H6O.CH4/c1-2-3-4-5;/h3H,2H2,1H3;1H4",80.03388000000001,20.42372,
6750,[C:1]([C:2]([C:3](=[O:4])[C:5]([O:6][H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](/[C:3]([O:4][H:14])=[C:5](/[O:6][H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-2-4(6)3-5/h5H,2-3H2,1H3","InChI=1S/C4H8O2/c1-2-4(6)3-5/h3,5-6H,2H2,1H3/b4-3-",60.88321,7.67611,ketoenol
6751,[C:1]([C:2]([C:3](=[O:4])[C:5]([O:6][H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](/[C:2](=[C:3](\[O:4][H:10])[C:5]([O:6][H:14])([H:12])[H:13])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-2-4(6)3-5/h5H,2-3H2,1H3","InChI=1S/C4H8O2/c1-2-4(6)3-5/h2,5-6H,3H2,1H3/b4-2-",68.15429,10.76039,ketoenol
6752,[C:1]([C:2]([C:3](=[O:4])[C:5]([O:6][H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:4][C:3](=[C:2]([H:10])[H:11])[C:5]([O:6][H:14])([H:12])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-2-4(6)3-5/h5H,2-3H2,1H3","InChI=1S/C4H8O2/c1-4(3-5)6-2/h5H,1,3H2,2H3",83.98222,23.28849,ketoenol
6753,[C:1]([C:2]([C:3](=[O:4])[C:5]([O:6][H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C@:3]([O:4][H:14])([C:5](=[O:6])[H:13])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-2-4(6)3-5/h5H,2-3H2,1H3","InChI=1S/C4H8O2/c1-2-4(6)3-5/h3-4,6H,2H2,1H3/t4-/m0/s1",37.029270000000004,4.27581,
6754,[C:1]([C:2]([C:3](=[O:4])[C:5]([O:6][H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C@:3]1([O:4][H:14])[C:5]([H:12])([H:13])[O:6]1)([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-2-4(6)3-5/h5H,2-3H2,1H3","InChI=1S/C4H8O2/c1-2-4(5)3-6-4/h5H,2-3H2,1H3/t4-/m1/s1",47.864540000000005,20.81436,
6755,[C:1]([C:2]([C:3](=[O:4])[C:5]([O:6][H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([H:8])([H:10])[H:11])([O+:4]=[C-:3][C:5]([O:6][H:14])([H:12])[H:13])([H:7])[H:9],"InChI=1S/C4H8O2/c1-2-4(6)3-5/h5H,2-3H2,1H3","InChI=1S/C4H8O2/c1-2-6-4-3-5/h5H,2-3H2,1H3",102.97173000000001,68.50452,
6756,[C:1]([C:2]([C:3](=[O:4])[C:5]([O:6][H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C-:1]([O+:4]=[C:3]([C:2]([H:8])([H:10])[H:11])[C:5]([O:6][H:14])([H:12])[H:13])([H:7])[H:9],"InChI=1S/C4H8O2/c1-2-4(6)3-5/h5H,2-3H2,1H3","InChI=1S/C4H8O2/c1-4(3-5)6-2/h5H,2-3H2,1H3",102.49757,65.31415,
6757,[C:1]([C:2]([C:3](=[O:4])[C:5]([O:6][H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]=[O:4])[H:11])([H:7])([H:8])[H:9].[C:5]([O:6][H:14])([H:10])([H:12])[H:13],"InChI=1S/C4H8O2/c1-2-4(6)3-5/h5H,2-3H2,1H3","InChI=1S/C3H4O.CH4O/c1-2-3-4;1-2/h2H,1H3;2H,1H3",65.65434,28.542609999999996,
6758,[C:1]([C:2]([C:3](=[O:4])[C:5]([O:6][H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3](=[O:4])[C:5](=[O:6])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9].[H:12][H:14],"InChI=1S/C4H8O2/c1-2-4(6)3-5/h5H,2-3H2,1H3","InChI=1S/C4H6O2.H2/c1-2-4(6)3-5;/h3H,2H2,1H3;1H",90.45381,28.99478,
6759,[C:1]([C:2]([C:3](=[O:4])[C:5]([O:6][H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C-:3]#[O+:4].[C:1]([C:2]([H:8])([H:10])[H:11])([C:5]([O:6][H:14])([H:12])[H:13])([H:7])[H:9],"InChI=1S/C4H8O2/c1-2-4(6)3-5/h5H,2-3H2,1H3","InChI=1S/C3H8O.CO/c1-2-3-4;1-2/h4H,2-3H2,1H3;",120.45728999999999,7.73303,
6760,[C:1]([C:2]1([C:3]([H:10])([H:11])[H:12])[C:4]([H:13])([H:14])[C:5]([H:15])([H:16])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]1([C:3]([H:10])([H:11])[H:12])[C:4]([H:14])=[C:5]([H:15])[O:6]1)([H:7])([H:8])[H:9].[H:13][H:16],"InChI=1S/C5H10O/c1-5(2)3-4-6-5/h3-4H2,1-2H3","InChI=1S/C5H8O.H2/c1-5(2)3-4-6-5;/h3-4H,1-2H3;1H",103.44455,31.59402,
6761,[C:1]([C:2]1([C:3]([H:10])([H:11])[H:12])[C:4]([H:13])([H:14])[C:5]([H:15])([H:16])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([C:4]([H:13])([H:14])[H:16])[O+:6]=[C-:5][H:15])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-5(2)3-4-6-5/h3-4H2,1-2H3","InChI=1S/C5H10O/c1-5(2,3)6-4/h4H,1-3H3",79.28103,45.34912,
6762,[C:1]([C:2]1([C:3]([H:10])([H:11])[H:12])[C:4]([H:13])([H:14])[C:5]([H:15])([H:16])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])=[O:6])([H:7])([H:8])[H:9].[C:4](=[C:5]([H:15])[H:16])([H:13])[H:14],"InChI=1S/C5H10O/c1-5(2)3-4-6-5/h3-4H2,1-2H3",InChI=1S/C3H6O.C2H4/c1-3(2)4;1-2/h1-2H3;1-2H2,54.840680000000006,-0.72968,2+2_cycloaddition
6763,[C:1]([C:2]1([C:3]([H:10])([H:11])[H:12])[C:4]([H:13])([H:14])[C:5]([H:15])([H:16])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])=[C:4]([H:13])[H:14])([H:7])([H:8])[H:9].[C:5](=[O:6])([H:15])[H:16],"InChI=1S/C5H10O/c1-5(2)3-4-6-5/h3-4H2,1-2H3","InChI=1S/C4H8.CH2O/c1-4(2)3;1-2/h1H2,2-3H3;1H2",46.07967,8.12611,2+2_cycloaddition
6764,[C:1]([C:2]1([C:3]([H:10])([H:11])[H:12])[C:4]([H:13])([H:14])[C:5]([H:15])([H:16])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C:2][C:4]([C:5]([O:6][C:3]([H:10])([H:11])[H:12])([H:15])[H:16])([H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-5(2)3-4-6-5/h3-4H2,1-2H3","InChI=1S/C5H10O/c1-3-4-5-6-2/h4-5H2,1-2H3",109.35108999999999,80.85383,
6765,[C:1]([C:2]1([C:3]([H:10])([H:11])[H:12])[C:4]([H:13])([H:14])[C:5]([H:15])([H:16])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])=[C:4]([C:5]([O:6][H:13])([H:15])[H:16])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-5(2)3-4-6-5/h3-4H2,1-2H3","InChI=1S/C5H10O/c1-5(2)3-4-6/h3,6H,4H2,1-2H3",86.56873,-7.868539999999999,
6766,[C:1]([C:2]1([C:3]([H:10])([H:11])[H:12])[C:4]([H:13])([H:14])[C:5]([H:15])([H:16])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([C:4][H:14])[O:6][C:5]([H:13])([H:15])[H:16])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-5(2)3-4-6-5/h3-4H2,1-2H3","InChI=1S/C5H10O/c1-5(2,3)6-4/h1H,2-4H3",86.99929,83.27624,
6767,[C:1]([C:2]1([C:3]([H:10])([H:11])[H:12])[C:4]([H:13])([H:14])[C:5]([H:15])([H:16])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C:2][C:3]([H:10])([H:11])[H:12])([H:7])([H:8])[H:9].[C:4]1([H:13])([H:14])[C:5]([H:15])([H:16])[O:6]1,"InChI=1S/C5H10O/c1-5(2)3-4-6-5/h3-4H2,1-2H3",InChI=1S/C3H6.C2H4O/c1-3-2;1-2-3-1/h1-2H3;1-2H2,107.15587,103.45917,
6768,[C:1]([O:2][C:3]([C:4]([C:5]([O:6][H:16])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:2][H:16])([H:7])([H:8])[H:9].[C:3](=[C:4]([H:12])[H:13])([H:10])[H:11].[C:5](=[O:6])([H:14])[H:15],"InChI=1S/C4H10O2/c1-6-4-2-3-5/h5H,2-4H2,1H3","InChI=1S/C2H4.CH4O.CH2O/c3*1-2/h1-2H2;2H,1H3;1H2",47.92696,34.745490000000004,
6769,[C:1]([O:2][C:3]([C:4]([C:5]([O:6][H:16])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:2][C:3](/[C:4](=[C:5](\[O:6][H:16])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9].[H:13][H:14],"InChI=1S/C4H10O2/c1-6-4-2-3-5/h5H,2-4H2,1H3","InChI=1S/C4H8O2.H2/c1-6-4-2-3-5;/h2-3,5H,4H2,1H3;1H/b3-2-;",91.24703000000001,22.33247,
6770,[C:1]([O:2][C:3]([C:4]([C:5]([O:6][H:16])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:2][C:3]([C:4]([H:12])([H:13])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9].[C:5]([O:6][H:16])[H:15],"InChI=1S/C4H10O2/c1-6-4-2-3-5/h5H,2-4H2,1H3","InChI=1S/C3H8O.CH2O/c1-3-4-2;1-2/h3H2,1-2H3;1-2H",76.15403,77.72112,
6771,[C:1]([O:2][C:3]([C:4]([C:5]([O:6][H:16])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:2][C:3](=[C:4]([H:12])[H:13])[H:11])([H:7])([H:8])[H:9].[C:5](=[O:6])([H:14])[H:15].[H:10][H:16],"InChI=1S/C4H10O2/c1-6-4-2-3-5/h5H,2-4H2,1H3","InChI=1S/C3H6O.CH2O.H2/c1-3-4-2;1-2;/h3H,1H2,2H3;1H2;1H",60.55989,46.280879999999996,
6772,[C:1]([O:2][C:3]([C:4]([C:5]([O:6][H:16])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:2][C:3]([C:4]([C:5][H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9].[O:6]([H:14])[H:16],"InChI=1S/C4H10O2/c1-6-4-2-3-5/h5H,2-4H2,1H3","InChI=1S/C4H8O.H2O/c1-3-4-5-2;/h1H,3-4H2,2H3;1H2",77.53072,98.104,
6773,[C:1]([O:2][C:3]([C:4]([C:5]([O:6][H:16])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:2][C:3]([C:4](=[C:5]([H:14])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9].[O:6]([H:13])[H:16],"InChI=1S/C4H10O2/c1-6-4-2-3-5/h5H,2-4H2,1H3","InChI=1S/C4H8O.H2O/c1-3-4-5-2;/h3H,1,4H2,2H3;1H2",62.89983,15.7695,"1,3_Insertion_ROR"
6774,[C:1]([O:2][C:3]([C:4]([C:5]([O:6][H:16])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:2][C:3]([C:4]([O:6][H:16])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9].[C:5]([H:14])[H:15],"InChI=1S/C4H10O2/c1-6-4-2-3-5/h5H,2-4H2,1H3","InChI=1S/C3H8O2.CH2/c1-5-3-2-4;/h4H,2-3H2,1H3;1H2",115.25346,119.22395,
6775,[C:1]([O:2][C:3]([C:4]([C:5]([O:6][H:16])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:15].[O:2]([C:3]([C:4]([C:5](=[O:6])[H:14])([H:12])[H:13])([H:10])[H:11])[H:16],"InChI=1S/C4H10O2/c1-6-4-2-3-5/h5H,2-4H2,1H3","InChI=1S/C3H6O2.CH4/c4-2-1-3-5;/h2,5H,1,3H2;1H4",72.47394,-5.71745,
6776,[C:1]([O:2][C:3]([C:4]([C:5]([O:6][H:16])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O+:2]=[C-:3][H:11])([H:7])([H:8])[H:9].[C:4]([C:5]([O:6][H:16])([H:14])[H:15])([H:10])([H:12])[H:13],"InChI=1S/C4H10O2/c1-6-4-2-3-5/h5H,2-4H2,1H3","InChI=1S/C2H4O.C2H6O/c1-3-2;1-2-3/h1H,2H3;3H,2H2,1H3",73.64171,70.75415,
6777,[C:1]([O:2][C:3]([C:4]([C:5]([O:6][H:16])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:2]/[C:3](=[C:4](\[C:5]([O:6][H:16])([H:14])[H:15])[H:12])[H:11])([H:7])([H:8])[H:9].[H:10][H:13],"InChI=1S/C4H10O2/c1-6-4-2-3-5/h5H,2-4H2,1H3","InChI=1S/C4H8O2.H2/c1-6-4-2-3-5;/h2,4-5H,3H2,1H3;1H/b4-2-;",101.32517,28.825129999999998,
6778,[N:1]([c:2]1[n:3][n:4]([H:9])[c:5]([H:10])[n:6]1)([H:7])[H:8],[C:5](#[N:6])[H:10].[N:1]([C:2]#[N+:3][N-:4][H:9])([H:7])[H:8],"InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)","InChI=1S/CH3N3.CHN/c2-1-4-3;1-2/h3H,2H2;1H",69.75838,70.30481,
6779,[N:1]([c:2]1[n:3][n:4]([H:9])[c:5]([H:10])[n:6]1)([H:7])[H:8],[N:1]([c:2]1[n:3][n:4]([H:9])[c-:5][n+:6]1[H:10])([H:7])[H:8],"InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)","InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h4H,(H3,3,5,6)",68.75819,30.687179999999998,
6780,[N:1]([c:2]1[n:3][n:4]([H:9])[c:5]([H:10])[n:6]1)([H:7])[H:8],[N:1]([C:2](=[N:3][N:4]([H:9])[H:10])[N+:6]#[C-:5])([H:7])[H:8],"InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)","InChI=1S/C2H4N4/c1-5-2(3)6-4/h4H2,(H2,3,6)",69.83823000000001,46.54619,
6781,[N:1]([c:2]1[n:3][n:4]([H:9])[c:5]([H:10])[n:6]1)([H:7])[H:8],[N:1]([c:2]1[n:3]([H:9])[n:4][c:5]([H:10])[n:6]1)([H:7])[H:8],"InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)","InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)",44.05234,0.72614,
6782,[N:1]([c:2]1[n:3][n:4]([H:9])[c:5]([H:10])[n:6]1)([H:7])[H:8],[N:1](=[c:2]1[n-:3][n:4]([H:9])[c:5]([H:10])[n+:6]1[H:7])[H:8],"InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)","InChI=1S/C2H3N4/c3-2-4-1-5-6-2/h1H,(H2-,3,4,5,6)/q-1/p+1",57.721030000000006,27.20917,
6783,[N:1]([c:2]1[n:3][n:4]([H:9])[c:5]([H:10])[n:6]1)([H:7])[H:8],[N:1]([C:2]1=[N:6][C:5]([H:9])([H:10])[N:4]=[N:3]1)([H:7])[H:8],"InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)","InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H2,(H2,3,4)",44.61697,23.46852,
6784,[N:1]([c:2]1[n:3][n:4]([H:9])[c:5]([H:10])[n:6]1)([H:7])[H:8],[N:1](=[c:2]1/[n:3]([H:8])[n:4]([H:9])[c:5]([H:10])[n:6]1)\[H:7],"InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)","InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)",61.20239,21.01146,
6785,[N:1]([c:2]1[n:3][n:4]([H:9])[c:5]([H:10])[n:6]1)([H:7])[H:8],[N:1]([C:2]1=[N:6][C@@:5]1([N+:4](=[N-:3])[H:9])[H:10])([H:7])[H:8],"InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)","InChI=1S/C2H4N4/c3-1-2(5-1)6-4/h2,6H,(H2,3,5)/t2-/m1/s1",112.13585,86.89209,
6786,[N:1]([c:2]1[n:3][n:4]([H:9])[c:5]([H:10])[n:6]1)([H:7])[H:8],[N:1]([N+:6]1=[C:2]=[N:3][N:4]([H:9])[C-:5]1[H:10])([H:7])[H:8],"InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)","InChI=1S/C2H4N4/c3-6-1-4-5-2-6/h1,4H,3H2",128.35887,76.27372,
6787,[N:1]([c:2]1[n:3][n:4]([H:9])[c:5]([H:10])[n:6]1)([H:7])[H:8],[N+:1]1([H:7])([H:8])[C:2](=[N:6][C:5](=[N:4][H:9])[H:10])[N-:3]1,"InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)","InChI=1S/C2H4N4/c3-1-4-2-5-6-2/h1H,5H2,(H-,3,4,6)",69.74436,67.58187,
6788,[N:1]([c:2]1[n:3][n:4]([H:9])[c:5]([H:10])[n:6]1)([H:7])[H:8],[N:1]([C:2]1=[N:3][N:6]1/[C:5](=[N:4]/[H:9])[H:10])([H:7])[H:8],"InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)","InChI=1S/C2H4N4/c3-1-6-2(4)5-6/h1,3H,(H2,4,5)/b3-1+",71.48544,61.996069999999996,
6789,[N:1]([c:2]1[n:3][n:4]([H:9])[c:5]([H:10])[n:6]1)([H:7])[H:8],[N:1]([C:2](=[N:3][N-:4][H:9])[N+:6]#[C:5][H:10])([H:7])[H:8],"InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)","InChI=1S/C2H4N4/c1-5-2(3)6-4/h1,4H,(H2,3,6)",101.92081999999999,75.7756,
6790,[N:1]([c:2]1[n:3][n:4]([H:9])[c:5]([H:10])[n:6]1)([H:7])[H:8],[N:1](=[C:2]1[N:3][N:4]([H:9])[C:5]([H:8])([H:10])[N:6]1)[H:7],"InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)","InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h3,5H,1H2",116.14741000000001,59.891130000000004,
6791,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]([C:5]([H:14])([H:15])[H:16])([H:13])[C:6]1([H:17])[H:18])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:12])=[C:4]([C:5]([H:14])([H:15])[H:16])[C:6]1([H:17])[H:18])([H:7])([H:8])[H:9].[H:11][H:13],"InChI=1S/C6H12/c1-5-3-6(2)4-5/h5-6H,3-4H2,1-2H3/t5-,6+","InChI=1S/C6H10.H2/c1-5-3-6(2)4-5;/h3,5H,4H2,1-2H3;1H/t5-;/m0./s1",115.69391999999999,30.138820000000003,
6792,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]([C:5]([H:14])([H:15])[H:16])([H:13])[C:6]1([H:17])[H:18])([H:7])([H:8])[H:9],[C:1]([C:2]([C:6]([C@@:4]([C:3][H:12])([C:5]([H:14])([H:15])[H:16])[H:13])([H:17])[H:18])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C6H12/c1-5-3-6(2)4-5/h5-6H,3-4H2,1-2H3/t5-,6+","InChI=1S/C6H12/c1-4-5-6(2)3/h2,6H,4-5H2,1,3H3/t6-/m0/s1",78.21592,78.54422,
6793,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]([C:5]([H:14])([H:15])[H:16])([H:13])[C:6]1([H:17])[H:18])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@@:6]1([C:4](=[C:5]([H:14])[H:16])[H:13])[H:18])([H:7])([H:8])[H:9].[H:15][H:17],"InChI=1S/C6H12/c1-5-3-6(2)4-5/h5-6H,3-4H2,1-2H3/t5-,6+","InChI=1S/C6H10.H2/c1-3-6-4-5(6)2;/h3,5-6H,1,4H2,2H3;1H/t5-,6-;/m0./s1",96.94573000000001,31.04222,
6794,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]([C:5]([H:14])([H:15])[H:16])([H:13])[C:6]1([H:17])[H:18])([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:10].[C:2]1[C:3]([H:11])([H:12])[C:4]([C:5]([H:14])([H:15])[H:16])([H:13])[C:6]1([H:17])[H:18],"InChI=1S/C6H12/c1-5-3-6(2)4-5/h5-6H,3-4H2,1-2H3/t5-,6+","InChI=1S/C5H8.CH4/c1-5-3-2-4-5;/h5H,3-4H2,1H3;1H4",86.82386,92.27229,
6795,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]([C:5]([H:14])([H:15])[H:16])([H:13])[C:6]1([H:17])[H:18])([H:7])([H:8])[H:9],[C:1]([C:2][C:6]([C:4]([C:3]([H:10])([H:11])[H:12])([C:5]([H:14])([H:15])[H:16])[H:13])([H:17])[H:18])([H:7])([H:8])[H:9],"InChI=1S/C6H12/c1-5-3-6(2)4-5/h5-6H,3-4H2,1-2H3/t5-,6+","InChI=1S/C6H12/c1-4-5-6(2)3/h6H,5H2,1-3H3",72.13433,70.24249,
6796,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]([C:5]([H:14])([H:15])[H:16])([H:13])[C:6]1([H:17])[H:18])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]([H:11])[H:12])[H:10])([H:7])([H:8])[H:9].[C:4]([C:5]([H:14])([H:15])[H:16])(=[C:6]([H:17])[H:18])[H:13],"InChI=1S/C6H12/c1-5-3-6(2)4-5/h5-6H,3-4H2,1-2H3/t5-,6+","InChI=1S/2C3H6/c2*1-3-2/h2*3H,1H2,2H3",83.08776,16.78989,
6797,[C:1]([C:2]([C:3]([O:4][H:13])([C:5]([C:6]([H:16])([H:17])[H:18])([H:14])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([H:10])([H:11])[H:12])([H:7])([H:8])[H:9].[C:3]([O:4][H:13])[C:5]([C:6]([H:16])([H:17])[H:18])([H:14])[H:15],"InChI=1S/C5H12O/c1-3-5(6)4-2/h5-6H,3-4H2,1-2H3","InChI=1S/C3H6O.C2H6/c1-2-3-4;1-2/h4H,2H2,1H3;1-2H3",71.84885,66.20645,
6798,[C:1]([C:2]([C:3]([O:4][H:13])([C:5]([C:6]([H:16])([H:17])[H:18])([H:14])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3](=[O:4])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9].[C:5](=[C:6]([H:16])[H:18])([H:14])[H:15].[H:13][H:17],"InChI=1S/C5H12O/c1-3-5(6)4-2/h5-6H,3-4H2,1-2H3","InChI=1S/C3H6O.C2H4.H2/c1-2-3-4;1-2;/h3H,2H2,1H3;1-2H2;1H",64.58744,44.729620000000004,
6799,[C:1]([C:2]([C:3]([O:4][H:13])([C:5]([C:6]([H:16])([H:17])[H:18])([H:14])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3][H:12])([H:10])[H:11])([H:7])([H:8])[H:9].[O:4]([C:5]([C:6]([H:16])([H:17])[H:18])([H:14])[H:15])[H:13],"InChI=1S/C5H12O/c1-3-5(6)4-2/h5-6H,3-4H2,1-2H3","InChI=1S/C3H6.C2H6O/c1-3-2;1-2-3/h1H,3H2,2H3;3H,2H2,1H3",112.36056,30.61174,
6800,[C:1]([C:2]([C:3]([O:4][H:13])([C:5]([C:6]([H:16])([H:17])[H:18])([H:14])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3](=[C:5]([H:14])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9].[O:4]([C:6]([H:16])([H:17])[H:18])[H:13],"InChI=1S/C5H12O/c1-3-5(6)4-2/h5-6H,3-4H2,1-2H3","InChI=1S/C4H8.CH4O/c1-3-4-2;1-2/h3H,1,4H2,2H3;2H,1H3",96.77046,27.289590000000004,"1,3_Insertion_ROR"
6801,[C:1]([C:2]([C:3]([O:4][H:13])([C:5]([C:6]([H:16])([H:17])[H:18])([H:14])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](/[C:2](=[C:3](/[O:4][H:13])[H:12])[H:10])([H:7])([H:8])[H:9].[C:5](=[C:6]([H:16])[H:18])([H:14])[H:15].[H:11][H:17],"InChI=1S/C5H12O/c1-3-5(6)4-2/h5-6H,3-4H2,1-2H3","InChI=1S/C3H6O.C2H4.H2/c1-2-3-4;1-2;/h2-4H,1H3;1-2H2;1H/b3-2+;;",76.25786,49.44245,
6802,[C:1]([C:2]([C:3]([O:4][H:13])([C:5]([C:6]([H:16])([H:17])[H:18])([H:14])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](/[C:3](=[C:5](/[C:6]([H:16])([H:17])[H:18])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9].[O:4]([H:13])[H:14],"InChI=1S/C5H12O/c1-3-5(6)4-2/h5-6H,3-4H2,1-2H3","InChI=1S/C5H10.H2O/c1-3-5-4-2;/h3,5H,4H2,1-2H3;1H2/b5-3+;",59.275659999999995,11.76015,"1,3_Insertion_ROR"
6803,[C:1]([C:2]([C:3]([O:4][H:13])([C:5]([C:6]([H:16])([H:17])[H:18])([H:14])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:5]([C:3](=[O:4])[H:12])([H:14])[H:15])([H:10])[H:11])([H:7])([H:8])[H:9].[C:6]([H:13])([H:16])([H:17])[H:18],"InChI=1S/C5H12O/c1-3-5(6)4-2/h5-6H,3-4H2,1-2H3","InChI=1S/C4H8O.CH4/c1-2-3-4-5;/h4H,2-3H2,1H3;1H4",83.97163,8.10603,
6804,[C:1]([C:2](=[O:3])[C:4]([H:8])([H:9])[H:10])([H:5])([H:6])[H:7],[C:1]([H:5])([H:6])([H:7])[H:9].[C:2](=[O:3])=[C:4]([H:8])[H:10],InChI=1S/C3H6O/c1-3(2)4/h1-2H3,InChI=1S/C2H2O.CH4/c1-2-3;/h1H2;1H4,80.49919,18.92447,
6805,[C:1]([C:2](=[O:3])[C:4]([H:8])([H:9])[H:10])([H:5])([H:6])[H:7],[C:1]([C:2]([O:3][H:9])=[C:4]([H:8])[H:10])([H:5])([H:6])[H:7],InChI=1S/C3H6O/c1-3(2)4/h1-2H3,"InChI=1S/C3H6O/c1-3(2)4/h4H,1H2,2H3",62.49015,8.75787,ketoenol
6806,[C:1]([C:2](=[O:3])[C:4]([H:8])([H:9])[H:10])([H:5])([H:6])[H:7],[C:1]([O+:3]=[C-:2][C:4]([H:8])([H:9])[H:10])([H:5])([H:6])[H:7],InChI=1S/C3H6O/c1-3(2)4/h1-2H3,InChI=1S/C3H6O/c1-3-4-2/h1-2H3,109.999,69.63944000000001,
6807,[C:1]([C:2](=[O:3])[C:4]([H:8])([H:9])[H:10])([H:5])([H:6])[H:7],[C:1]([C:2](=[O:3])[H:6])([C:4]([H:8])([H:9])[H:10])([H:5])[H:7],InChI=1S/C3H6O/c1-3(2)4/h1-2H3,"InChI=1S/C3H6O/c1-2-3-4/h3H,2H2,1H3",85.44334,7.63474,
6808,[O:1]=[C:2]([C:3](=[O:4])[C:5](=[O:6])[H:8])[H:7],[C-:3]#[O+:4].[O:1]=[C:2]([C:5](=[O:6])[H:8])[H:7],InChI=1S/C3H2O3/c4-1-3(6)2-5/h1-2H,InChI=1S/C2H2O2.CO/c3-1-2-4;1-2/h1-2H;,35.5603,-4.48177,"1,2_Insertion_CO"
6809,[O:1]=[C:2]([C:3](=[O:4])[C:5](=[O:6])[H:8])[H:7],[O+:1](=[C-:2][H:7])[C@@:5]1([H:8])[C:3](=[O:4])[O:6]1,InChI=1S/C3H2O3/c4-1-3(6)2-5/h1-2H,"InChI=1S/C3H2O3/c1-5-3-2(4)6-3/h1,3H/t3-/m1/s1",77.89969,72.2274,
6810,[O:1]=[C:2]([C:3](=[O:4])[C:5](=[O:6])[H:8])[H:7],[O+:1](=[C:2]([C:5](=[C:3]=[O:4])[H:8])[H:7])[O-:6],InChI=1S/C3H2O3/c4-1-3(6)2-5/h1-2H,"InChI=1S/C3H2O3/c4-2-1-3-6-5/h1,3H",139.41974,68.99013000000001,
6811,[O:1]=[C:2]([C:3](=[O:4])[C:5](=[O:6])[H:8])[H:7],[C:3](=[O:4])=[C:5]([O:6][H:7])[H:8].[O+:1]#[C-:2],InChI=1S/C3H2O3/c4-1-3(6)2-5/h1-2H,"InChI=1S/C2H2O2.CO/c3-1-2-4;1-2/h1,3H;",32.38944,5.6913599999999995,
6812,[O:1]=[C:2]([C:3](=[O:4])[C:5](=[O:6])[H:8])[H:7],[O:1]([C+:2]=[C:3]([O-:4])[C:5](=[O:6])[H:8])[H:7],InChI=1S/C3H2O3/c4-1-3(6)2-5/h1-2H,"InChI=1S/C3H2O3/c4-1-3(6)2-5/h1H,(H-,4,5,6)",77.84099,43.398309999999995,
6813,[O:1]=[C:2]([C:3](=[O:4])[C:5](=[O:6])[H:8])[H:7],[O:1]=[C:2]([O:6][C:5](=[C:3]=[O:4])[H:8])[H:7],InChI=1S/C3H2O3/c4-1-3(6)2-5/h1-2H,InChI=1S/C3H2O3/c4-1-2-6-3-5/h2-3H,38.65824,-0.09417,ketoenol
6814,[O:1]=[C:2]([C:3](=[O:4])[C:5](=[O:6])[H:8])[H:7],[O-:1][C:2](=[C:3]=[O+:4][C:5](=[O:6])[H:8])[H:7],InChI=1S/C3H2O3/c4-1-3(6)2-5/h1-2H,"InChI=1S/C3H2O3/c4-1-2-6-3-5/h1,3H",51.79858,43.34486,
6815,[O:1]=[C:2]([C:3](=[O:4])[C:5](=[O:6])[H:8])[H:7],[C-:3]#[O+:4].[O+:1](=[C-:2][H:7])[C:5](=[O:6])[H:8],InChI=1S/C3H2O3/c4-1-3(6)2-5/h1-2H,InChI=1S/C2H2O2.CO/c1-4-2-3;1-2/h1-2H;,53.98925,53.75108,
6816,[O:1]=[C:2]([C:3](=[O:4])[C:5](=[O:6])[H:8])[H:7],[O-:1][O:6][C:5](=[O+:4][C:3]#[C:2][H:7])[H:8],InChI=1S/C3H2O3/c4-1-3(6)2-5/h1-2H,"InChI=1S/C3H2O3/c1-2-5-3-6-4/h1,3H",163.81705,129.83328999999998,
6817,[O:1]=[C:2]([C:3](=[O:4])[C:5](=[O:6])[H:8])[H:7],[O:1]=[C:2]([C:3]([O:4][H:8])=[C:5]=[O:6])[H:7],InChI=1S/C3H2O3/c4-1-3(6)2-5/h1-2H,"InChI=1S/C3H2O3/c4-1-3(6)2-5/h1,6H",60.71451,-3.82101,ketoenol
6818,[O:1]=[C:2]([C:3](=[O:4])[C:5](=[O:6])[H:8])[H:7],[C-:5]#[O+:6].[O-:1][C:2](=[C+:3][O:4][H:8])[H:7],InChI=1S/C3H2O3/c4-1-3(6)2-5/h1-2H,"InChI=1S/C2H2O2.CO/c3-1-2-4;1-2/h1H,(H-,3,4);",48.37601,44.71282,
6819,[O:1]=[C:2]([C:3](=[O:4])[C:5](=[O:6])[H:8])[H:7],[O+:1]#[C:2][C:3]([O-:4])=[C:5]([O:6][H:7])[H:8],InChI=1S/C3H2O3/c4-1-3(6)2-5/h1-2H,"InChI=1S/C3H2O3/c4-1-3(6)2-5/h1H,(H-,4,6)",32.45811,7.03644,
6820,[O:1]=[C:2]([C:3](=[O:4])[C:5](=[O:6])[H:8])[H:7],[O:1]=[C:2]([O:4][O:6][C:5](=[C:3])[H:8])[H:7],InChI=1S/C3H2O3/c4-1-3(6)2-5/h1-2H,InChI=1S/C3H2O3/c1-2-5-6-3-4/h2-3H,139.36851000000001,136.49848,
6821,[O:1]=[C:2]([C:3](=[O:4])[C:5](=[O:6])[H:8])[H:7],[O:1]1[C@:2]2([H:7])[C:3](=[O:4])[C@@:5]1([H:8])[O:6]2,InChI=1S/C3H2O3/c4-1-3(6)2-5/h1-2H,"InChI=1S/C3H2O3/c4-1-2-5-3(1)6-2/h2-3H/t2-,3+",61.57046,50.888909999999996,
6822,[N:1]#[C:2][C:3]#[N:4],[N+:1](#[C-:2])[N+:4]#[C-:3],InChI=1S/C2N2/c3-1-2-4,InChI=1S/C2N2/c1-3-4-2,109.88021,78.63512,
6823,[N:1]#[C:2][C:3]#[N:4],[N-:1]=[N:4][C:3]#[C+:2],InChI=1S/C2N2/c3-1-2-4,InChI=1S/C2N2/c1-2-4-3,158.65435,79.90585,
6824,[N:1]#[C:2][C:3]#[N:4],[N+:1](#[C-:2])[C:3]#[N:4],InChI=1S/C2N2/c3-1-2-4,InChI=1S/C2N2/c1-4-2-3,59.4382,27.4374,
6825,[C:1]([C:2]1([C:3]([H:10])([H:11])[H:12])[C:4]([H:13])([H:14])[C:5]([H:15])([H:16])[C:6]1([H:17])[H:18])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])=[C:4]([H:13])[H:14])([H:7])([H:8])[H:9].[C:5](=[C:6]([H:17])[H:18])([H:15])[H:16],"InChI=1S/C6H12/c1-6(2)4-3-5-6/h3-5H2,1-2H3","InChI=1S/C4H8.C2H4/c1-4(2)3;1-2/h1H2,2-3H3;1-2H2",83.01106,16.22079,
6826,[C:1]([C:2]1([C:3]([H:10])([H:11])[H:12])[C:4]([H:13])([H:14])[C:5]([H:15])([H:16])[C:6]1([H:17])[H:18])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([C:4]([C:5]([H:15])([H:16])[H:18])([H:13])[H:14])[C:6][H:17])([H:7])([H:8])[H:9],"InChI=1S/C6H12/c1-6(2)4-3-5-6/h3-5H2,1-2H3","InChI=1S/C6H12/c1-5-6(2,3)4/h2H,5H2,1,3-4H3",79.09153,80.37599,
6827,[C:1]([C:2]1([C:3]([H:10])([H:11])[H:12])[C:4]([H:13])([H:14])[C:5]([H:15])([H:16])[C:6]1([H:17])[H:18])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]([H:10])[H:12])[C:6]1([H:18])[C:4]([H:13])([H:14])[C:5]1([H:15])[H:16])([H:7])([H:8])[H:9].[H:11][H:17],"InChI=1S/C6H12/c1-6(2)4-3-5-6/h3-5H2,1-2H3","InChI=1S/C6H10.H2/c1-5(2)6-3-4-6;/h6H,1,3-4H2,2H3;1H",96.46600000000001,30.24255,
6828,[C:1]([C:2]1([C:3]([H:10])([H:11])[H:12])[C:4]([H:13])([H:14])[C:5]([H:15])([H:16])[C:6]1([H:17])[H:18])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([C:4]([C:5]([C:6][H:18])([H:15])[H:16])([H:13])[H:14])[H:17])([H:7])([H:8])[H:9],"InChI=1S/C6H12/c1-6(2)4-3-5-6/h3-5H2,1-2H3","InChI=1S/C6H12/c1-4-5-6(2)3/h1,6H,4-5H2,2-3H3",77.68098,82.62313,
6829,[C:1]([C:2]1([C:3]([H:10])([H:11])[H:12])[C:4]([H:13])([H:14])[C:5]([H:15])([H:16])[C:6]1([H:17])[H:18])([H:7])([H:8])[H:9],[C:1]([C:2]1([C:3]([H:10])([H:11])[H:12])[C:4]([H:13])=[C:5]([H:15])[C:6]1([H:17])[H:18])([H:7])([H:8])[H:9].[H:14][H:16],"InChI=1S/C6H12/c1-6(2)4-3-5-6/h3-5H2,1-2H3","InChI=1S/C6H10.H2/c1-6(2)4-3-5-6;/h3-4H,5H2,1-2H3;1H",113.6783,33.1575,
6830,[C:1]([C:2]1([C:3]([H:10])([H:11])[H:12])[C:4]([H:13])([H:14])[C:5]([H:15])([H:16])[C:6]1([H:17])[H:18])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([C:4]([H:13])([H:14])[H:16])[C:6]([C:5][H:15])([H:17])[H:18])([H:7])([H:8])[H:9],"InChI=1S/C6H12/c1-6(2)4-3-5-6/h3-5H2,1-2H3","InChI=1S/C6H12/c1-5-6(2,3)4/h1H,5H2,2-4H3",77.93562,81.53549,
6831,[C:1]([C:2]1([C:3]([H:10])([H:11])[H:12])[C:4]([H:13])([H:14])[C:5]([H:15])([H:16])[C:6]1([H:17])[H:18])([H:7])([H:8])[H:9],[C:1]1([H:8])([H:9])[C:2]([C:3]([H:10])([H:11])[H:12])([H:7])[C:6]([H:17])([H:18])[C:5]([H:15])([H:16])[C:4]1([H:13])[H:14],"InChI=1S/C6H12/c1-6(2)4-3-5-6/h3-5H2,1-2H3","InChI=1S/C6H12/c1-6-4-2-3-5-6/h6H,2-5H2,1H3",102.33337,-14.55556,
6832,[C:1]([C:2]1([C:3]([H:10])([H:11])[H:12])[C:4]([H:13])([H:14])[C:5]([H:15])([H:16])[C:6]1([H:17])[H:18])([H:7])([H:8])[H:9],[C:1]([C:2][C:4]([C:5]([C:6]([C:3]([H:10])([H:11])[H:12])([H:17])[H:18])([H:15])[H:16])([H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C6H12/c1-6(2)4-3-5-6/h3-5H2,1-2H3","InChI=1S/C6H12/c1-3-5-6-4-2/h3,5-6H2,1-2H3",126.48328000000001,70.54321999999999,
6833,[C:1]([C:2]#[C:3][C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]#[C:3][C:4](=[O+:6][C-:5]([H:11])[H:12])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H6O/c1-2-3-5-4-6-5/h5H,4H2,1H3/t5-/m0/s1","InChI=1S/C5H6O/c1-3-4-5-6-2/h5H,2H2,1H3",41.49132,31.570759999999996,
6834,[C:1]([C:2]#[C:3][C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)([H:7])([H:8])[H:9],[C:1](=[C:2]=[C:3]([C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)[H:8])([H:7])[H:9],"InChI=1S/C5H6O/c1-2-3-5-4-6-5/h5H,4H2,1H3/t5-/m0/s1","InChI=1S/C5H6O/c1-2-3-5-4-6-5/h3,5H,1,4H2/t5-/m0/s1",71.44592,-2.0826700000000002,
6835,[C:1]([C:2]#[C:3][C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]1=[C:3]=[C:4]([H:10])[O:6][C:5]1([H:11])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C5H6O/c1-2-3-5-4-6-5/h5H,4H2,1H3/t5-/m0/s1","InChI=1S/C5H6O/c1-5-2-3-6-4-5/h3H,4H2,1H3",71.48055,9.16995,
6836,[C:1]([C:2]#[C:3][C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]/[C:3](=[C:4]1/[C:5]([H:11])([H:12])[O:6]1)[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H6O/c1-2-3-5-4-6-5/h5H,4H2,1H3/t5-/m0/s1","InChI=1S/C5H6O/c1-2-3-5-4-6-5/h3H,4H2,1H3/b5-3-",72.46975,53.79178,
6837,[C:1]([C:2]#[C:3][C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]1=[C:3]=[C:4]1[H:10])([H:7])([H:8])[H:9].[C:5](=[O:6])([H:11])[H:12],"InChI=1S/C5H6O/c1-2-3-5-4-6-5/h5H,4H2,1H3/t5-/m0/s1","InChI=1S/C4H4.CH2O/c1-4-2-3-4;1-2/h2H,1H3;1H2",70.05485,43.330529999999996,
6838,[C:1]([C:2]#[C:3][C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3])[C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)([H:7])([H:8])[H:9],"InChI=1S/C5H6O/c1-2-3-5-4-6-5/h5H,4H2,1H3/t5-/m0/s1","InChI=1S/C5H6O/c1-4(2)5-3-6-5/h5H,3H2,1H3/t5-/m1/s1",55.26905,56.46912,
6839,[C:1]([C:2]#[C:3][C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)([H:7])([H:8])[H:9],[C:1](=[C:2]=[C:3]=[C:4]([C:5]([O:6][H:8])([H:11])[H:12])[H:10])([H:7])[H:9],"InChI=1S/C5H6O/c1-2-3-5-4-6-5/h5H,4H2,1H3/t5-/m0/s1","InChI=1S/C5H6O/c1-2-3-4-5-6/h4,6H,1,5H2",50.88029,-9.41496,
6840,[C:1]([C:2]#[C:3][C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]=[C:4]1[C:5]([H:11])([H:12])[O:6]1)[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H6O/c1-2-3-5-4-6-5/h5H,4H2,1H3/t5-/m0/s1","InChI=1S/C5H6O/c1-2-3-5-4-6-5/h2H,4H2,1H3",84.38315,4.16845,
6841,[C:1]([C:2]#[C:3][C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]#[C:3][C-:4]=[O+:6][C:5]([H:10])([H:11])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C5H6O/c1-2-3-5-4-6-5/h5H,4H2,1H3/t5-/m0/s1",InChI=1S/C5H6O/c1-3-4-5-6-2/h1-2H3,66.99306999999999,32.85187,
6842,[C:1]([C:2]#[C:3][C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]1=[C:3]=[C:4]([H:10])[C:5]([H:11])([H:12])[O:6]1)([H:7])([H:8])[H:9],"InChI=1S/C5H6O/c1-2-3-5-4-6-5/h5H,4H2,1H3/t5-/m0/s1","InChI=1S/C5H6O/c1-5-3-2-4-6-5/h2H,4H2,1H3",53.15602,7.1299399999999995,
6843,[C:1]([C:2]#[C:3][C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]#[C:3][C:5]([C:4](=[O:6])[H:10])([H:11])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C5H6O/c1-2-3-5-4-6-5/h5H,4H2,1H3/t5-/m0/s1","InChI=1S/C5H6O/c1-2-3-4-5-6/h5H,4H2,1H3",58.33268,-22.966479999999997,
6844,[C:1]([C:2]#[C:3][C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)([H:7])([H:8])[H:9],[C+:1]([C:2](=[C-:3][C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)[H:8])([H:7])[H:9],"InChI=1S/C5H6O/c1-2-3-5-4-6-5/h5H,4H2,1H3/t5-/m0/s1","InChI=1S/C5H6O/c1-2-3-5-4-6-5/h2,5H,1,4H2/t5-/m0/s1",69.08327,54.355959999999996,
6845,[C:1]([N:2]([C@@:3]([C:4]([H:12])([H:13])[H:14])([C:5]#[N:6])[H:11])[H:10])([H:7])([H:8])[H:9],[C:1]([N+:2]([C-:3]([C:4]([H:12])([H:13])[H:14])[C:5]#[N:6])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H8N2/c1-4(3-5)6-2/h4,6H,1-2H3/t4-/m0/s1","InChI=1S/C4H8N2/c1-4(3-5)6-2/h6H2,1-2H3",64.9607,44.21747,
6846,[C:1]([N:2]([C@@:3]([C:4]([H:12])([H:13])[H:14])([C:5]#[N:6])[H:11])[H:10])([H:7])([H:8])[H:9],[C:1]([N+:2]([C:3]([C:5]#[N:6])([H:11])[H:12])([C-:4]([H:13])[H:14])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H8N2/c1-4(3-5)6-2/h4,6H,1-2H3/t4-/m0/s1","InChI=1S/C4H8N2/c1-6(2)4-3-5/h6H,1,4H2,2H3",106.50482,74.06145,
6847,[C:1]([N:2]([C@@:3]([C:4]([H:12])([H:13])[H:14])([C:5]#[N:6])[H:11])[H:10])([H:7])([H:8])[H:9],[C:1]([N:2]([C+:3]=[C:5]=[N-:6])[H:10])([H:7])([H:8])[H:9].[C:4]([H:11])([H:12])([H:13])[H:14],"InChI=1S/C4H8N2/c1-4(3-5)6-2/h4,6H,1-2H3/t4-/m0/s1","InChI=1S/C3H4N2.CH4/c1-5-3-2-4;/h5H,1H3;1H4",59.389269999999996,39.4588,
6848,[C:1]([N:2]([C@@:3]([C:4]([H:12])([H:13])[H:14])([C:5]#[N:6])[H:11])[H:10])([H:7])([H:8])[H:9],[C:1]([N:2]([C:5]1=[N:6][C@@:3]1([C:4]([H:12])([H:13])[H:14])[H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H8N2/c1-4(3-5)6-2/h4,6H,1-2H3/t4-/m0/s1","InChI=1S/C4H8N2/c1-3-4(5-2)6-3/h3H,1-2H3,(H,5,6)/t3-/m1/s1",77.01875,24.907429999999998,
6849,[C:1]([N:2]([C@@:3]([C:4]([H:12])([H:13])[H:14])([C:5]#[N:6])[H:11])[H:10])([H:7])([H:8])[H:9],[C:1]1([H:7])([H:8])[N:2]([H:10])[C@:3]([C:4]([H:12])([H:13])[H:14])([H:11])[C:5][N:6]1[H:9],"InChI=1S/C4H8N2/c1-4(3-5)6-2/h4,6H,1-2H3/t4-/m0/s1","InChI=1S/C4H8N2/c1-4-2-5-3-6-4/h4-6H,3H2,1H3/t4-/m0/s1",65.8823,42.26249,
6850,[C:1]([N:2]([C@@:3]([C:4]([H:12])([H:13])[H:14])([C:5]#[N:6])[H:11])[H:10])([H:7])([H:8])[H:9],[C:1]([N:2]([C@@:3]([C:4]([H:12])([H:13])[H:14])([N+:6]#[C-:5])[H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H8N2/c1-4(3-5)6-2/h4,6H,1-2H3/t4-/m0/s1","InChI=1S/C4H8N2/c1-4(5-2)6-3/h4-5H,1-2H3/t4-/m1/s1",41.14358,21.79159,
6851,[C:1]([N:2]([C@@:3]([C:4]([H:12])([H:13])[H:14])([C:5]#[N:6])[H:11])[H:10])([H:7])([H:8])[H:9],[C+:1]([N:2]([C:3]([C:4]([H:12])([H:13])[H:14])=[C:5]=[N-:6])[H:10])([H:7])[H:8].[H:9][H:11],"InChI=1S/C4H8N2/c1-4(3-5)6-2/h4,6H,1-2H3/t4-/m0/s1","InChI=1S/C4H6N2.H2/c1-4(3-5)6-2;/h6H,2H2,1H3;1H",51.46651,38.43878,
6852,[C:1]([N:2]([C@@:3]([C:4]([H:12])([H:13])[H:14])([C:5]#[N:6])[H:11])[H:10])([H:7])([H:8])[H:9],[C:1]([N+:2]([C-:3]([C:5]#[N:6])[H:11])([C:4]([H:12])([H:13])[H:14])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H8N2/c1-4(3-5)6-2/h4,6H,1-2H3/t4-/m0/s1","InChI=1S/C4H8N2/c1-6(2)4-3-5/h4,6H,1-2H3",87.67433,49.420359999999995,
6853,[C:1]([N:2]([C@@:3]([C:4]([H:12])([H:13])[H:14])([C:5]#[N:6])[H:11])[H:10])([H:7])([H:8])[H:9],[C:1](/[N:2]=[C:3](/[C:4]([H:12])([H:13])[H:14])[H:11])([H:7])([H:8])[H:9].[C:5]=[N:6][H:10],"InChI=1S/C4H8N2/c1-4(3-5)6-2/h4,6H,1-2H3/t4-/m0/s1","InChI=1S/C3H7N.CHN/c1-3-4-2;1-2/h3H,1-2H3;2H/b4-3+;",47.05635,38.04415,
6854,[C:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[n:5][c:6]1[H:12])([H:7])([H:8])[H:9],[C:1](=[C:2]1[C:3]([H:8])([H:10])[N:4]([H:11])[N:5]=[C:6]1[H:12])([H:7])[H:9],"InChI=1S/C4H6N2/c1-4-2-5-6-3-4/h2-3H,1H3,(H,5,6)","InChI=1S/C4H6N2/c1-4-2-5-6-3-4/h2,6H,1,3H2",90.64428000000001,25.30794,
6855,[C:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[n:5][c:6]1[H:12])([H:7])([H:8])[H:9],[C:1]([C:2]1=[C:6]([H:12])[N:5]2[C@@:3]1([H:10])[N:4]2[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H6N2/c1-4-2-5-6-3-4/h2-3H,1H3,(H,5,6)","InChI=1S/C4H6N2/c1-3-2-6-4(3)5-6/h2,4-5H,1H3/t4-,6?/m1/s1",108.3188,82.19031,
6856,[C:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[n:5][c:6]1[H:12])([H:7])([H:8])[H:9],[C:1]([C:6](=[C:2]=[C:3]([N:4]([N:5])[H:11])[H:10])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H6N2/c1-4-2-5-6-3-4/h2-3H,1H3,(H,5,6)","InChI=1S/C4H6N2/c1-2-3-4-6-5/h2,4,6H,1H3",143.54754,78.79175,
6857,[C:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[n:5][c:6]1[H:12])([H:7])([H:8])[H:9],[C:1]([C:2]#[C:3][H:10])([H:7])([H:8])[H:9].[N-:4]([N+:5]#[C:6][H:12])[H:11],"InChI=1S/C4H6N2/c1-4-2-5-6-3-4/h2-3H,1H3,(H,5,6)","InChI=1S/C3H4.CH2N2/c2*1-3-2/h1H,2H3;1-2H",98.03896999999999,92.14964,
6858,[C:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[n:5][c:6]1[H:12])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:6]=[N:5][N:4]([C:3][H:10])[H:11])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H6N2/c1-4-2-5-6-3-4/h2-3H,1H3,(H,5,6)","InChI=1S/C4H6N2/c1-3-4-6-5-2/h2-3,5H,1H3",139.37846000000002,93.72457,
6859,[C:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[n:5][c:6]1[H:12])([H:7])([H:8])[H:9],[C:1]([C@:2]1(/[C:3](=[N:4]/[H:11])[H:10])[N:5]=[C:6]1[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H6N2/c1-4-2-5-6-3-4/h2-3H,1H3,(H,5,6)","InChI=1S/C4H6N2/c1-4(2-5)3-6-4/h2-3,5H,1H3/b5-2+/t4-/m1/s1",72.6981,42.01916,
6860,[C:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[n:5][c:6]1[H:12])([H:7])([H:8])[H:9],[C:1]([C:2]1=[C:6]([H:12])[N:5]1[N:4]([C:3][H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H6N2/c1-4-2-5-6-3-4/h2-3H,1H3,(H,5,6)","InChI=1S/C4H6N2/c1-4-3-6(4)5-2/h2-3,5H,1H3",138.73818,129.66653,
6861,[C:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[n:5][c:6]1[H:12])([H:7])([H:8])[H:9],[C:1]([C:2]1=[C:6]([H:12])[N:5]=[N:4][C:3]1([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H6N2/c1-4-2-5-6-3-4/h2-3H,1H3,(H,5,6)","InChI=1S/C4H6N2/c1-4-2-5-6-3-4/h2H,3H2,1H3",48.10405,28.09068,
6862,[C:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[n:5][c:6]1[H:12])([H:7])([H:8])[H:9],[C:1]([C:3](=[C:2]=[C:6](/[N:5]=[N:4]/[H:11])[H:12])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H6N2/c1-4-2-5-6-3-4/h2-3H,1H3,(H,5,6)","InChI=1S/C4H6N2/c1-2-3-4-6-5/h2,4-5H,1H3/b6-5+",89.8371,60.526709999999994,
6863,[C:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[n:5][c:6]1[H:12])([H:7])([H:8])[H:9],[C:1]([C@@:6]1([H:12])[C+:2]=[C:3]([H:10])[N:4]([H:11])[N-:5]1)([H:7])([H:8])[H:9],"InChI=1S/C4H6N2/c1-4-2-5-6-3-4/h2-3H,1H3,(H,5,6)","InChI=1S/C4H6N2/c1-4-2-3-5-6-4/h3-5H,1H3/t4-/m0/s1",96.15756,80.04377,
6864,[C:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[n:5][c:6]1[H:12])([H:7])([H:8])[H:9],[C:1]([C@:2](/[C:3](=[N:4]/[H:11])[H:10])([C:6]#[N:5])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H6N2/c1-4-2-5-6-3-4/h2-3H,1H3,(H,5,6)","InChI=1S/C4H6N2/c1-4(2-5)3-6/h2,4-5H,1H3/b5-2+/t4-/m1/s1",77.92497,6.73187,
6865,[C:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[n:5][c:6]1[H:12])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3](=[N:4][H:11])[H:10])=[C:6]=[N:5][H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H6N2/c1-4-2-5-6-3-4/h2-3H,1H3,(H,5,6)","InChI=1S/C4H6N2/c1-4(2-5)3-6/h2,5-6H,1H3",81.50639,18.02721,
6866,[C:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[n:5][c:6]1[H:12])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3][N:4]([H:11])[N:5]=[C:6]1[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H6N2/c1-4-2-5-6-3-4/h2-3H,1H3,(H,5,6)","InChI=1S/C4H6N2/c1-4-2-5-6-3-4/h2,4,6H,1H3/t4-/m1/s1",64.57609000000001,57.95138000000001,Singlet_Carbene_Intra_Disproportionation
6867,[C:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[n:5][c:6]1[H:12])([H:7])([H:8])[H:9],[C:1]([C:2]1=[C:6]([H:12])[C@:3]1([N:4]([N:5])[H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H6N2/c1-4-2-5-6-3-4/h2-3H,1H3,(H,5,6)","InChI=1S/C4H6N2/c1-3-2-4(3)6-5/h2,4,6H,1H3/t4-/m1/s1",132.4561,90.75285,
6868,[C:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[n:5][c:6]1[H:12])([H:7])([H:8])[H:9],[C:1]([c:2]1[c+:3]([H:10])[n:4]([H:11])[n:5]([H:12])[c-:6]1)([H:7])([H:8])[H:9],"InChI=1S/C4H6N2/c1-4-2-5-6-3-4/h2-3H,1H3,(H,5,6)","InChI=1S/C4H6N2/c1-4-2-5-6-3-4/h2,5-6H,1H3",77.10669,54.4161,
6869,[C:1]1([H:7])([H:8])[C@:2]2([H:9])[C@:3]3([H:10])[C:4]([H:11])([H:12])[C@@:5]1([H:13])[C@:6]23[H:14],[C:1]1([H:7])([H:8])[C@:2]2([H:9])[C@:3]([H:10])([C:4]([H:11])([H:12])[C:5]1)[C:6]2([H:13])[H:14],"InChI=1S/C6H8/c1-3-2-5-4(1)6(3)5/h3-6H,1-2H2/t3-,4+,5-,6+","InChI=1S/C6H8/c1-2-5-4-6(5)3-1/h5-6H,2-4H2/t5-,6+",63.45762,39.75432,
6870,[C:1]1([H:7])([H:8])[C@:2]2([H:9])[C@:3]3([H:10])[C:4]([H:11])([H:12])[C@@:5]1([H:13])[C@:6]23[H:14],[C:1](=[C:5]([C:4]([C:3]1([H:10])[C:2]([H:9])=[C:6]1[H:14])([H:11])[H:12])[H:13])([H:7])[H:8],"InChI=1S/C6H8/c1-3-2-5-4(1)6(3)5/h3-6H,1-2H2/t3-,4+,5-,6+","InChI=1S/C6H8/c1-2-3-6-4-5-6/h2,4-6H,1,3H2",45.485929999999996,11.4982,
6871,[C:1]1([H:7])([H:8])[C@:2]2([H:9])[C@:3]3([H:10])[C:4]([H:11])([H:12])[C@@:5]1([H:13])[C@:6]23[H:14],[C:1]([C@@:2]1([H:9])[C@@:3]2([H:10])[C:4]([H:12])=[C:5]([H:13])[C@@:6]12[H:14])([H:7])([H:8])[H:11],"InChI=1S/C6H8/c1-3-2-5-4(1)6(3)5/h3-6H,1-2H2/t3-,4+,5-,6+","InChI=1S/C6H8/c1-4-5-2-3-6(4)5/h2-6H,1H3/t4-,5+,6-",102.08337,1.78565,
6872,[C:1]1([H:7])([H:8])[C@:2]2([H:9])[C@:3]3([H:10])[C:4]([H:11])([H:12])[C@@:5]1([H:13])[C@:6]23[H:14],[C:1]1([H:7])([H:8])[C:2][C@@:6]2([H:14])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C@@:5]12[H:13],"InChI=1S/C6H8/c1-3-2-5-4(1)6(3)5/h3-6H,1-2H2/t3-,4+,5-,6+","InChI=1S/C6H8/c1-2-6-4-3-5(1)6/h5-6H,1-3H2/t5-,6+/m0/s1",57.6626,60.39369,
6873,[C:1]1([H:7])([H:8])[C@:2]2([H:9])[C@:3]3([H:10])[C:4]([H:11])([H:12])[C@@:5]1([H:13])[C@:6]23[H:14],[C:1]1([H:7])([H:8])[C@:2]2([H:9])[C@@:3]([C:4][H:12])([H:10])[C@:6]2([H:14])[C:5]1([H:11])[H:13],"InChI=1S/C6H8/c1-3-2-5-4(1)6(3)5/h3-6H,1-2H2/t3-,4+,5-,6+","InChI=1S/C6H8/c1-4-5-2-3-6(4)5/h1,4-6H,2-3H2/t4-,5+,6-",76.34246999999999,62.653969999999994,
6874,[C:1]1([H:7])([H:8])[C@:2]2([H:9])[C@:3]3([H:10])[C:4]([H:11])([H:12])[C@@:5]1([H:13])[C@:6]23[H:14],[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:4]([H:11])([H:12])[C@:5]1([H:13])[C@:6]2([C:3][H:10])[H:14],"InChI=1S/C6H8/c1-3-2-5-4(1)6(3)5/h3-6H,1-2H2/t3-,4+,5-,6+","InChI=1S/C6H8/c1-4-5-2-6(4)3-5/h1,4-6H,2-3H2/t4-,5-,6+",111.11963999999999,84.75123,
6875,[C:1]1([H:7])([H:8])[C@:2]2([H:9])[C@:3]3([H:10])[C:4]([H:11])([H:12])[C@@:5]1([H:13])[C@:6]23[H:14],[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3][C:4]([H:11])([H:12])[C@:5]1([H:13])[C:6]2([H:10])[H:14],"InChI=1S/C6H8/c1-3-2-5-4(1)6(3)5/h3-6H,1-2H2/t3-,4+,5-,6+","InChI=1S/C6H8/c1-2-6-3-5(1)4-6/h5-6H,1,3-4H2/t5-,6+",57.6434,46.81946,
6876,[C:1]1([H:7])([H:8])[C@:2]2([H:9])[C@:3]3([H:10])[C:4]([H:11])([H:12])[C@@:5]1([H:13])[C@:6]23[H:14],[C:1]1([H:7])([H:8])[C:2]([H:9])=[C:3]([H:10])[C@@:6]2([H:14])[C:4]([H:11])([H:12])[C@@:5]12[H:13],"InChI=1S/C6H8/c1-3-2-5-4(1)6(3)5/h3-6H,1-2H2/t3-,4+,5-,6+","InChI=1S/C6H8/c1-2-5-4-6(5)3-1/h1-2,5-6H,3-4H2/t5-,6+/m0/s1",75.11142,-32.86183,
6877,[C:1]1([H:7])([H:8])[C@:2]2([H:9])[C@:3]3([H:10])[C:4]([H:11])([H:12])[C@@:5]1([H:13])[C@:6]23[H:14],[C:1]1([H:7])([H:8])[C@:2]2([H:9])[C:3]([H:10])([H:14])[C:4]([H:11])([H:12])[C@@:5]1([H:13])[C:6]2,"InChI=1S/C6H8/c1-3-2-5-4(1)6(3)5/h3-6H,1-2H2/t3-,4+,5-,6+","InChI=1S/C6H8/c1-2-6-3-5(1)4-6/h5-6H,1-3H2/t5-,6+",54.25369,40.25465,
6878,[C:1]1([H:7])([H:8])[C@:2]2([H:9])[C@:3]3([H:10])[C:4]([H:11])([H:12])[C@@:5]1([H:13])[C@:6]23[H:14],[C:1]1([H:7])([H:8])[C@:2]([C:3](=[C:4]([H:11])[H:12])[H:10])([H:9])[C:6]([H:14])=[C:5]1[H:13],"InChI=1S/C6H8/c1-3-2-5-4(1)6(3)5/h3-6H,1-2H2/t3-,4+,5-,6+","InChI=1S/C6H8/c1-2-6-4-3-5-6/h2-4,6H,1,5H2/t6-/m0/s1",47.44684,-14.47205,
6879,[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([C:4]([H:13])([H:14])[H:15])[C:5]([O:6][H:18])([H:16])[H:17])([H:7])([H:8])[H:9],[C:1]([C:2]1([C:3]([H:10])([H:11])[H:12])[C:4]([H:14])([H:15])[C:5]1([H:16])[H:17])([H:7])([H:8])[H:9].[O:6]([H:13])[H:18],"InChI=1S/C5H12O/c1-5(2,3)4-6/h6H,4H2,1-3H3","InChI=1S/C5H10.H2O/c1-5(2)3-4-5;/h3-4H2,1-2H3;1H2",84.66094,16.654420000000002,
6880,[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([C:4]([H:13])([H:14])[H:15])[C:5]([O:6][H:18])([H:16])[H:17])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])=[C:4]([H:14])[H:15])([H:7])([H:8])[H:9].[C:5](=[O:6])([H:16])[H:17].[H:13][H:18],"InChI=1S/C5H12O/c1-5(2,3)4-6/h6H,4H2,1-3H3","InChI=1S/C4H8.CH2O.H2/c1-4(2)3;1-2;/h1H2,2-3H3;1H2;1H",64.47714,44.29779,
6881,[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([C:4]([H:13])([H:14])[H:15])[C:5]([O:6][H:18])([H:16])[H:17])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([C:4]([H:13])([H:14])[H:15])[H:17])([H:7])([H:8])[H:9].[C:5]([O:6][H:18])[H:16],"InChI=1S/C5H12O/c1-5(2,3)4-6/h6H,4H2,1-3H3","InChI=1S/C4H10.CH2O/c1-4(2)3;1-2/h4H,1-3H3;1-2H",68.95029,72.06194,
6882,[n:1]1([H:6])[c:2]([H:7])[c:3]([H:8])[c:4]([H:9])[n:5]1,[N:1](=[C:2]([C:3](=[C:4]=[N:5][H:9])[H:8])[H:7])[H:6],"InChI=1S/C3H4N2/c1-2-4-5-3-1/h1-3H,(H,4,5)","InChI=1S/C3H4N2/c4-2-1-3-5/h1-2,4-5H",77.50883,16.8795,
6883,[n:1]1([H:6])[c:2]([H:7])[c:3]([H:8])[c:4]([H:9])[n:5]1,[N+:1]1([H:6])([H:7])[C-:2]=[C:3]([H:8])[C:4]([H:9])=[N:5]1,"InChI=1S/C3H4N2/c1-2-4-5-3-1/h1-3H,(H,4,5)","InChI=1S/C3H4N2/c1-2-4-5-3-1/h1-2H,5H2",84.20438,71.72413,
6884,[n:1]1([H:6])[c:2]([H:7])[c:3]([H:8])[c:4]([H:9])[n:5]1,[n:1]1([H:6])[c+:2]([H:7])[c:3]([H:8])[c-:4][n:5]1[H:9],"InChI=1S/C3H4N2/c1-2-4-5-3-1/h1-3H,(H,4,5)","InChI=1S/C3H4N2/c1-2-4-5-3-1/h1-2,4-5H",77.48899999999999,54.95672,
6885,[n:1]1([H:6])[c:2]([H:7])[c:3]([H:8])[c:4]([H:9])[n:5]1,[N:1]1([H:6])[C:2]([H:7])=[C+:3][C:4]([H:8])([H:9])[N-:5]1,"InChI=1S/C3H4N2/c1-2-4-5-3-1/h1-3H,(H,4,5)","InChI=1S/C3H4N2/c1-2-4-5-3-1/h2,4H,3H2",81.14780999999999,79.09881999999999,
6886,[n:1]1([H:6])[c:2]([H:7])[c:3]([H:8])[c:4]([H:9])[n:5]1,[N:1]1([H:6])[C@@:2]2([H:7])[C:3]([H:8])=[C:4]([H:9])[N:5]12,"InChI=1S/C3H4N2/c1-2-4-5-3-1/h1-3H,(H,4,5)","InChI=1S/C3H4N2/c1-2-5-3(1)4-5/h1-4H/t3-,5?/m1/s1",108.11138000000001,85.38276,
6887,[n:1]1([H:6])[c:2]([H:7])[c:3]([H:8])[c:4]([H:9])[n:5]1,[N:1](=[C:2](/[C@@:3]1([H:8])[C:4]([H:9])=[N:5]1)[H:7])\[H:6],"InChI=1S/C3H4N2/c1-2-4-5-3-1/h1-3H,(H,4,5)",InChI=1S/C3H4N2/c4-1-3-2-5-3/h1-4H/b4-1+/t3-/m0/s1,75.82133,43.00378,
6888,[n:1]1([H:6])[c:2]([H:7])[c:3]([H:8])[c:4]([H:9])[n:5]1,[N:1]1([H:6])[C:2]([H:7])([H:8])[C+:3]=[C:4]([H:9])[N-:5]1,"InChI=1S/C3H4N2/c1-2-4-5-3-1/h1-3H,(H,4,5)","InChI=1S/C3H4N2/c1-2-4-5-3-1/h2,5H,3H2",77.71370999999999,75.18741,Singlet_Carbene_Intra_Disproportionation
6889,[n:1]1([H:6])[c:2]([H:7])[c:3]([H:8])[c:4]([H:9])[n:5]1,[N:1]1=[N:5][C:4]([H:9])=[C:3]([H:8])[C:2]1([H:6])[H:7],"InChI=1S/C3H4N2/c1-2-4-5-3-1/h1-3H,(H,4,5)","InChI=1S/C3H4N2/c1-2-4-5-3-1/h1-2H,3H2",48.8384,30.11378,
6890,[n:1]1([H:6])[c:2]([H:7])[c:3]([H:8])[c:4]([H:9])[n:5]1,[N:1](=[C:2](/[C:3]([C:4]#[N:5])([H:8])[H:9])[H:7])\[H:6],"InChI=1S/C3H4N2/c1-2-4-5-3-1/h1-3H,(H,4,5)","InChI=1S/C3H4N2/c4-2-1-3-5/h2,4H,1H2/b4-2+",77.91264,5.10647,
6891,[n:1]1([H:6])[c:2]([H:7])[c:3]([H:8])[c:4]([H:9])[n:5]1,[C:2](#[C:3][H:8])[H:7].[N-:1]([N+:5]#[C:4][H:9])[H:6],"InChI=1S/C3H4N2/c1-2-4-5-3-1/h1-3H,(H,4,5)",InChI=1S/C2H2.CH2N2/c1-2;1-3-2/h1-2H;1-2H,100.03048000000001,96.06631999999999,
6892,[n:1]1([H:6])[c:2]([H:7])[c:3]([H:8])[c:4]([H:9])[n:5]1,[N:1]1([H:6])[C:2][C:3]([H:7])([H:8])[C:4]([H:9])=[N:5]1,"InChI=1S/C3H4N2/c1-2-4-5-3-1/h1-3H,(H,4,5)","InChI=1S/C3H4N2/c1-2-4-5-3-1/h2,5H,1H2",65.01369,55.7644,Singlet_Carbene_Intra_Disproportionation
6893,[n:1]1([H:6])[c:2]([H:7])[c:3]([H:8])[c:4]([H:9])[n:5]1,[N:1]1([H:6])[C:2]([H:7])=[C:3]=[C:4]([H:9])[N:5]1[H:8],"InChI=1S/C3H4N2/c1-2-4-5-3-1/h1-3H,(H,4,5)",InChI=1S/C3H4N2/c1-2-4-5-3-1/h2-5H,98.44375,64.49336,
6894,[n:1]1([H:6])[c:2]([H:7])[c:3]([H:8])[c:4]([H:9])[n:5]1,[N-:1]([N+:5]1=[C:4]([H:9])[C:3]([H:8])=[C:2]1[H:7])[H:6],"InChI=1S/C3H4N2/c1-2-4-5-3-1/h1-3H,(H,4,5)",InChI=1S/C3H4N2/c4-5-2-1-3-5/h1-4H,112.91984,93.97665,
6895,[c:1]1([H:7])[c:2]([H:8])[n:3][n:4][c:5]([H:9])[c:6]1[H:10],[C:1]([C-:2]([N+:3]#[N:4])[H:8])(=[C:6]=[C:5]([H:9])[H:10])[H:7],InChI=1S/C4H4N2/c1-2-4-6-5-3-1/h1-4H,"InChI=1S/C4H4N2/c1-2-3-4-6-5/h3-4H,1H2",85.63453,41.87265,
6896,[c:1]1([H:7])[c:2]([H:8])[n:3][n:4][c:5]([H:9])[c:6]1[H:10],[C:1]1([H:7])=[C:6]([H:10])[C:5]1([N-:4][N+:3]#[C:2][H:8])[H:9],InChI=1S/C4H4N2/c1-2-4-6-5-3-1/h1-4H,InChI=1S/C4H4N2/c1-5-6-4-2-3-4/h1-4H,101.05234,91.43505,
6897,[c:1]1([H:7])[c:2]([H:8])[n:3][n:4][c:5]([H:9])[c:6]1[H:10],[C:1](#[C:2][H:8])[H:7].[C:5](#[C:6][H:10])[H:9].[N:3]#[N:4],InChI=1S/C4H4N2/c1-2-4-6-5-3-1/h1-4H,InChI=1S/2C2H2.N2/c3*1-2/h2*1-2H;,95.18651,58.115759999999995,
6898,[c:1]1([H:7])[c:2]([H:8])[n:3][n:4][c:5]([H:9])[c:6]1[H:10],[C:1]1([H:7])=[C:2]=[N:3][N:4]=[C:5]([H:9])[C:6]1([H:8])[H:10],InChI=1S/C4H4N2/c1-2-4-6-5-3-1/h1-4H,"InChI=1S/C4H4N2/c1-2-4-6-5-3-1/h1,4H,2H2",115.81001,62.466969999999996,
6899,[c:1]1([H:7])[c:2]([H:8])[n:3][n:4][c:5]([H:9])[c:6]1[H:10],[C@:1]12([H:7])[C:2]([H:8])=[N+:3]1[N-:4][C:5]([H:9])=[C:6]2[H:10],InChI=1S/C4H4N2/c1-2-4-6-5-3-1/h1-4H,InChI=1S/C4H4N2/c1-2-5-6-3-4(1)6/h1-4H/t4-/m0/s1,84.66135,83.13991999999999,
6900,[c:1]1([H:7])[c:2]([H:8])[n:3][n:4][c:5]([H:9])[c:6]1[H:10],[C:1]1([H:7])=[C:6]([H:10])[C@:5]2([H:9])[C@@:2]1([H:8])[N:3]=[N:4]2,InChI=1S/C4H4N2/c1-2-4-6-5-3-1/h1-4H,"InChI=1S/C4H4N2/c1-2-4-3(1)5-6-4/h1-4H/t3-,4+",92.5908,71.71826999999999,Intra_2+2_cycloaddition_Cd
6901,[c:1]1([H:7])[c:2]([H:8])[n:3][n:4][c:5]([H:9])[c:6]1[H:10],[c:1]1([H:7])[c-:2][n:3]([H:8])[n:4][c:5]([H:9])[c+:6]1[H:10],InChI=1S/C4H4N2/c1-2-4-6-5-3-1/h1-4H,"InChI=1S/C4H4N2/c1-2-4-6-5-3-1/h1-3,6H",78.9131,40.390029999999996,
6902,[c:1]1([H:7])[c:2]([H:8])[n:3][n:4][c:5]([H:9])[c:6]1[H:10],[C@@:1]12([H:7])[C:2]([H:8])=[N:3][N:4]1[C:5]([H:9])=[C:6]2[H:10],InChI=1S/C4H4N2/c1-2-4-6-5-3-1/h1-4H,InChI=1S/C4H4N2/c1-2-6-4(1)3-5-6/h1-4H/t4-/m1/s1,93.32754,71.73125999999999,
6903,[c:1]1([H:7])[c:2]([H:8])[n:3][n:4][c:5]([H:9])[c:6]1[H:10],[C:1]1([H:7])([H:10])[C:2]([H:8])=[N:3][N-:4][C:5]([H:9])=[C+:6]1,InChI=1S/C4H4N2/c1-2-4-6-5-3-1/h1-4H,"InChI=1S/C4H4N2/c1-2-4-6-5-3-1/h3-4H,1H2",87.60935,72.79961,
6904,[c:1]1([H:7])[c:2]([H:8])[n:3][n:4][c:5]([H:9])[c:6]1[H:10],[C:1]1([H:7])=[C:2]([H:8])[C:6]1([C-:5]([N+:4]#[N:3])[H:9])[H:10],InChI=1S/C4H4N2/c1-2-4-6-5-3-1/h1-4H,InChI=1S/C4H4N2/c5-6-3-4-1-2-4/h1-4H,87.64492,67.72535,
6905,[c:1]1([H:7])[c:2]([H:8])[n:3][n:4][c:5]([H:9])[c:6]1[H:10],[C:1]1([H:7])=[C:2]([H:8])[N-:3][N+:4]#[C:5][C:6]1([H:9])[H:10],InChI=1S/C4H4N2/c1-2-4-6-5-3-1/h1-4H,"InChI=1S/C4H4N2/c1-2-4-6-5-3-1/h1,3H,2H2",94.67094,77.31947,Singlet_Carbene_Intra_Disproportionation
6906,[c:1]1([H:7])[c:2]([H:8])[n:3][n:4][c:5]([H:9])[c:6]1[H:10],[C:1]1=[C:2]([H:8])[N:3]([H:7])[N:4]=[C:5]([H:9])[C:6]=1[H:10],InChI=1S/C4H4N2/c1-2-4-6-5-3-1/h1-4H,"InChI=1S/C4H4N2/c1-2-4-6-5-3-1/h1,3-4,6H",103.02285,45.80857,
6907,[c:1]1([H:7])[c:2]([H:8])[n:3][n:4][c:5]([H:9])[c:6]1[H:10],[C@:1]12([H:7])[C@:2]3([H:8])[N:3]=[N:4][C@@:5]1([H:9])[C@:6]23[H:10],InChI=1S/C4H4N2/c1-2-4-6-5-3-1/h1-4H,"InChI=1S/C4H4N2/c5-3-1-2(3)4(1)6-5/h1-4H/t1-,2+,3-,4+",83.95787,62.34861,
6908,[c:1]1([H:7])[c:2]([H:8])[n:3][n:4][c:5]([H:9])[c:6]1[H:10],[C:1]1([H:7])=[C+:6][C:5]([H:9])([H:10])[N-:4][N:3]=[C:2]1[H:8],InChI=1S/C4H4N2/c1-2-4-6-5-3-1/h1-4H,"InChI=1S/C4H4N2/c1-2-4-6-5-3-1/h1,3H,4H2",85.64199,73.0752,Singlet_Carbene_Intra_Disproportionation
6909,[c:1]1([H:7])[c:2]([H:8])[n:3][n:4][c:5]([H:9])[c:6]1[H:10],[C:1]1([H:7])=[C:6]([H:10])[C:5]([H:8])([H:9])[N-:4][N+:3]#[C:2]1,InChI=1S/C4H4N2/c1-2-4-6-5-3-1/h1-4H,"InChI=1S/C4H4N2/c1-2-4-6-5-3-1/h1-2H,3H2",105.24836,76.05393000000001,
6910,[c:1]1([H:7])[c:2]([H:8])[n:3][n:4][c:5]([H:9])[c:6]1[H:10],[C:1](=[C:2]([N-:3][N+:4]#[C:5][H:9])[H:8])=[C:6]([H:7])[H:10],InChI=1S/C4H4N2/c1-2-4-6-5-3-1/h1-4H,"InChI=1S/C4H4N2/c1-3-4-6-5-2/h2,4H,1H2",130.55159,69.93111,
6911,[c:1]1([H:7])[c:2]([H:8])[n:3][n:4][c:5]([H:9])[c:6]1[H:10],[C:1]1([H:7])=[C:6]([H:10])/[C:5](=[N:4]\[H:9])[N:3]=[C:2]1[H:8],InChI=1S/C4H4N2/c1-2-4-6-5-3-1/h1-4H,"InChI=1S/C4H4N2/c5-4-2-1-3-6-4/h1-3,5H/b5-4+",113.4827,3.23565,
6912,[c:1]1([H:7])[c:2]([H:8])[n:3][n:4][c:5]([H:9])[c:6]1[H:10],[C:1]1(=[C:2]([H:7])[H:8])[N+:4](=[N-:3])[C:5]([H:9])=[C:6]1[H:10],InChI=1S/C4H4N2/c1-2-4-6-5-3-1/h1-4H,"InChI=1S/C4H4N2/c1-4-2-3-6(4)5/h2-3H,1H2",105.95468000000001,76.6235,
6913,[c:1]1([H:7])[c:2]([H:8])[n:3][n:4][c:5]([H:9])[c:6]1[H:10],[C:1]1([H:7])=[C:6]=[C:5]=[N:4][N:3]=[C:2]1[H:8].[H:9][H:10],InChI=1S/C4H4N2/c1-2-4-6-5-3-1/h1-4H,"InChI=1S/C4H2N2.H2/c1-2-4-6-5-3-1;/h1,3H;1H",115.54592,91.50525999999999,
6914,[c:1]1([H:7])[c:2]([H:8])[n:3][n:4][c:5]([H:9])[c:6]1[H:10],[C:1]1([H:7])=[C:6]=[C:5]([H:9])[N-:4][N:3]([H:10])[C+:2]1[H:8],InChI=1S/C4H4N2/c1-2-4-6-5-3-1/h1-4H,"InChI=1S/C4H4N2/c1-2-4-6-5-3-1/h1,3-5H",118.3536,54.272369999999995,
6915,[c:1]1([H:7])[c:2]([H:8])[n:3][n:4][c:5]([H:9])[c:6]1[H:10],[C:1](=[C:6](/[C:5](=[N:4]\[N+:3]#[C-:2])[H:9])[H:10])([H:7])[H:8],InChI=1S/C4H4N2/c1-2-4-6-5-3-1/h1-4H,"InChI=1S/C4H4N2/c1-3-4-6-5-2/h3-4H,1H2/b6-4-",101.14229,51.6633,
6916,[c:1]1([H:7])[c:2]([H:8])[n:3][n:4][c:5]([H:9])[c:6]1[H:10],[C:1]1([H:7])=[C:6]([H:10])[C:5]([H:9])=[N+:4]2[C@:2]1([H:8])[N-:3]2,InChI=1S/C4H4N2/c1-2-4-6-5-3-1/h1-4H,InChI=1S/C4H4N2/c1-2-4-5-6(4)3-1/h1-4H/t4-/m0/s1,82.65286,82.07377,
6917,[c:1]1([H:7])[c:2]([H:8])[n:3][n:4][c:5]([H:9])[c:6]1[H:10],[C:1]1([H:7])=[C:2]([H:8])[C:5]([H:9])=[C:6]1[H:10].[N:3]#[N:4],InChI=1S/C4H4N2/c1-2-4-6-5-3-1/h1-4H,InChI=1S/C4H4.N2/c1-2-4-3-1;1-2/h1-4H;,166.57518000000002,48.717909999999996,
6918,[O:1]([C@:2]12[C:3]([H:8])([H:9])[C@@:4]1([H:10])[O:5][C:6]2([H:11])[H:12])[H:7],[O:1]([C:2]1([C:3]([H:8])([H:9])[H:11])[C-:4]([H:10])[O+:5]=[C:6]1[H:12])[H:7],"InChI=1S/C4H6O2/c5-4-1-3(4)6-2-4/h3,5H,1-2H2/t3-,4+/m1/s1","InChI=1S/C4H6O2/c1-4(5)2-6-3-4/h2-3,5H,1H3",69.95085999999999,39.800990000000006,
6919,[O:1]([C@:2]12[C:3]([H:8])([H:9])[C@@:4]1([H:10])[O:5][C:6]2([H:11])[H:12])[H:7],[O:1]([C@:2]1([C:3]([H:8])([H:9])[H:10])[C-:4]=[O+:5][C:6]1([H:11])[H:12])[H:7],"InChI=1S/C4H6O2/c5-4-1-3(4)6-2-4/h3,5H,1-2H2/t3-,4+/m1/s1","InChI=1S/C4H6O2/c1-4(5)2-6-3-4/h5H,2H2,1H3/t4-/m0/s1",46.80202,28.55038,
6920,[O:1]([C@:2]12[C:3]([H:8])([H:9])[C@@:4]1([H:10])[O:5][C:6]2([H:11])[H:12])[H:7],[O:1]([C@@:2]1([H:10])[C:3]([H:8])([H:9])[C-:4]=[O+:5][C:6]1([H:11])[H:12])[H:7],"InChI=1S/C4H6O2/c5-4-1-3(4)6-2-4/h3,5H,1-2H2/t3-,4+/m1/s1","InChI=1S/C4H6O2/c5-4-1-2-6-3-4/h4-5H,1,3H2/t4-/m0/s1",49.28929,6.09427,
6921,[O:1]([C@:2]12[C:3]([H:8])([H:9])[C@@:4]1([H:10])[O:5][C:6]2([H:11])[H:12])[H:7],[C:2]12=[C:6]([H:11])[O:5][C@:4]1([H:10])[C:3]2([H:8])[H:9].[O:1]([H:7])[H:12],"InChI=1S/C4H6O2/c5-4-1-3(4)6-2-4/h3,5H,1-2H2/t3-,4+/m1/s1","InChI=1S/C4H4O.H2O/c1-3-2-5-4(1)3;/h2,4H,1H2;1H2/t4-;/m1./s1",87.61573,54.15886,"1,3_Insertion_ROR"
6922,[O:1]([C@:2]12[C:3]([H:8])([H:9])[C@@:4]1([H:10])[O:5][C:6]2([H:11])[H:12])[H:7],[O:1]([C:2]1=[C:3]([H:9])[C:4]([H:8])([H:10])[O:5][C:6]1([H:11])[H:12])[H:7],"InChI=1S/C4H6O2/c5-4-1-3(4)6-2-4/h3,5H,1-2H2/t3-,4+/m1/s1","InChI=1S/C4H6O2/c5-4-1-2-6-3-4/h1,5H,2-3H2",58.88912,-34.49297,
6923,[O:1]([C@:2]12[C:3]([H:8])([H:9])[C@@:4]1([H:10])[O:5][C:6]2([H:11])[H:12])[H:7],[O:1]([C:2][C:6]([O:5][C:4](=[C:3]([H:8])[H:9])[H:10])([H:11])[H:12])[H:7],"InChI=1S/C4H6O2/c5-4-1-3(4)6-2-4/h3,5H,1-2H2/t3-,4+/m1/s1","InChI=1S/C4H6O2/c1-2-6-4-3-5/h2,5H,1,4H2",37.15377,30.1164,
6924,[O:1]([C@:2]12[C:3]([H:8])([H:9])[C@@:4]1([H:10])[O:5][C:6]2([H:11])[H:12])[H:7],[O:1]([C@:2]1([H:9])[C:3]([H:8])=[C:4]([H:10])[O:5][C:6]1([H:11])[H:12])[H:7],"InChI=1S/C4H6O2/c5-4-1-3(4)6-2-4/h3,5H,1-2H2/t3-,4+/m1/s1","InChI=1S/C4H6O2/c5-4-1-2-6-3-4/h1-2,4-5H,3H2/t4-/m1/s1",62.39501,-36.17051,
6925,[O:1]([C@:2]12[C:3]([H:8])([H:9])[C@@:4]1([H:10])[O:5][C:6]2([H:11])[H:12])[H:7],[O:1]([C:2](=[C:3]([H:8])[H:9])[C:6]([O+:5]=[C-:4][H:10])([H:11])[H:12])[H:7],"InChI=1S/C4H6O2/c5-4-1-3(4)6-2-4/h3,5H,1-2H2/t3-,4+/m1/s1","InChI=1S/C4H6O2/c1-4(5)3-6-2/h2,5H,1,3H2",41.788790000000006,29.718420000000002,
6926,[O:1]([C@:2]12[C:3]([H:8])([H:9])[C@@:4]1([H:10])[O:5][C:6]2([H:11])[H:12])[H:7],[O:1]=[C:2]1[C:3]([H:8])([H:9])[C@:4]1([O:5][C:6]([H:7])([H:11])[H:12])[H:10],"InChI=1S/C4H6O2/c5-4-1-3(4)6-2-4/h3,5H,1-2H2/t3-,4+/m1/s1","InChI=1S/C4H6O2/c1-6-4-2-3(4)5/h4H,2H2,1H3/t4-/m1/s1",72.81212,-3.4395,
6927,[O:1]([C@:2]12[C:3]([H:8])([H:9])[C@@:4]1([H:10])[O:5][C:6]2([H:11])[H:12])[H:7],[O:1]([C:2][C@@:4]1([H:10])[C:3]([H:8])([H:9])[C:6]([H:11])([H:12])[O:5]1)[H:7],"InChI=1S/C4H6O2/c5-4-1-3(4)6-2-4/h3,5H,1-2H2/t3-,4+/m1/s1","InChI=1S/C4H6O2/c5-3-4-1-2-6-4/h4-5H,1-2H2/t4-/m1/s1",90.31567,35.31175,
6928,[O:1]([C@:2]12[C:3]([H:8])([H:9])[C@@:4]1([H:10])[O:5][C:6]2([H:11])[H:12])[H:7],[O:1]=[C:2]1[C@:4]([C:3]([H:7])([H:8])[H:9])([H:10])[O:5][C:6]1([H:11])[H:12],"InChI=1S/C4H6O2/c5-4-1-3(4)6-2-4/h3,5H,1-2H2/t3-,4+/m1/s1","InChI=1S/C4H6O2/c1-3-4(5)2-6-3/h3H,2H2,1H3/t3-/m1/s1",55.78464,-30.83783,
6929,[O:1]([C@:2]12[C:3]([H:8])([H:9])[C@@:4]1([H:10])[O:5][C:6]2([H:11])[H:12])[H:7],[O:1]([C:3]([C@:4]1([H:10])[C:2][C:6]([H:11])([H:12])[O:5]1)([H:8])[H:9])[H:7],"InChI=1S/C4H6O2/c5-4-1-3(4)6-2-4/h3,5H,1-2H2/t3-,4+/m1/s1","InChI=1S/C4H6O2/c5-3-4-1-2-6-4/h4-5H,2-3H2/t4-/m0/s1",122.98454,59.77485,
6930,[O:1]([C@:2]12[C:3]([H:8])([H:9])[C@@:4]1([H:10])[O:5][C:6]2([H:11])[H:12])[H:7],[O:1]([C@:2]1([C:6]([O:5][H:10])([H:11])[H:12])[C:3]([H:8])([H:9])[C:4]1)[H:7],"InChI=1S/C4H6O2/c5-4-1-3(4)6-2-4/h3,5H,1-2H2/t3-,4+/m1/s1","InChI=1S/C4H6O2/c5-3-4(6)1-2-4/h5-6H,1,3H2/t4-/m1/s1",63.19537,59.90655,
6931,[O:1]([C@:2]12[C:3]([H:8])([H:9])[C@@:4]1([H:10])[O:5][C:6]2([H:11])[H:12])[H:7],[C:2]12=[C:3]([H:9])[C@@:4]1([H:10])[O:5][C:6]2([H:11])[H:12].[O:1]([H:7])[H:8],"InChI=1S/C4H6O2/c5-4-1-3(4)6-2-4/h3,5H,1-2H2/t3-,4+/m1/s1","InChI=1S/C4H4O.H2O/c1-3-2-5-4(1)3;/h1,4H,2H2;1H2/t4-;/m1./s1",80.80877,65.50108,
6932,[O:1]([C@:2]12[C:3]([H:8])([H:9])[C@@:4]1([H:10])[O:5][C:6]2([H:11])[H:12])[H:7],[H:7][H:12].[O:1]=[C:2]=[C:6]([O:5][C:4](=[C:3]([H:8])[H:9])[H:10])[H:11],"InChI=1S/C4H6O2/c5-4-1-3(4)6-2-4/h3,5H,1-2H2/t3-,4+/m1/s1","InChI=1S/C4H4O2.H2/c1-2-6-4-3-5;/h2,4H,1H2;1H",59.73236,9.109960000000001,
6933,[O:1]([C@:2]12[C:3]([H:8])([H:9])[C@@:4]1([H:10])[O:5][C:6]2([H:11])[H:12])[H:7],[O:1]=[C:2]([C:6]([O:5][C:4](=[C:3]([H:8])[H:9])[H:10])([H:11])[H:12])[H:7],"InChI=1S/C4H6O2/c5-4-1-3(4)6-2-4/h3,5H,1-2H2/t3-,4+/m1/s1","InChI=1S/C4H6O2/c1-2-6-4-3-5/h2-3H,1,4H2",60.42298,-25.69031,
6934,[O:1]([C@:2]12[C:3]([H:8])([H:9])[C@@:4]1([H:10])[O:5][C:6]2([H:11])[H:12])[H:7],[O:1]([C@:2]1([H:9])[C@:4]([C:3][H:8])([H:10])[O:5][C:6]1([H:11])[H:12])[H:7],"InChI=1S/C4H6O2/c5-4-1-3(4)6-2-4/h3,5H,1-2H2/t3-,4+/m1/s1","InChI=1S/C4H6O2/c1-3-4(5)2-6-3/h1,3-5H,2H2/t3-,4+/m1/s1",62.39354,64.04413000000001,
6935,[O:1]([C@:2]12[C:3]([H:8])([H:9])[C@@:4]1([H:10])[O:5][C:6]2([H:11])[H:12])[H:7],[O:1]([C:2][C:3]([C@@:4]1([H:10])[O:5][C:6]1([H:11])[H:12])([H:8])[H:9])[H:7],"InChI=1S/C4H6O2/c5-4-1-3(4)6-2-4/h3,5H,1-2H2/t3-,4+/m1/s1","InChI=1S/C4H6O2/c5-2-1-4-3-6-4/h4-5H,1,3H2/t4-/m1/s1",51.42008,35.00594,
6936,[O:1]([C@:2]12[C:3]([H:8])([H:9])[C@@:4]1([H:10])[O:5][C:6]2([H:11])[H:12])[H:7],[O:1]([C@:2]1([H:11])[C:3]([H:8])([H:9])[C@:4]1([O+:5]=[C-:6][H:12])[H:10])[H:7],"InChI=1S/C4H6O2/c5-4-1-3(4)6-2-4/h3,5H,1-2H2/t3-,4+/m1/s1","InChI=1S/C4H6O2/c1-6-4-2-3(4)5/h1,3-5H,2H2/t3-,4-/m1/s1",75.15455,45.36918,
6937,[C:1]([N:2]([C:3](=[O:4])[N:5]([C:6]([H:12])([H:13])[H:14])[H:11])[H:10])([H:7])([H:8])[H:9],[C:1]([N:2]([C:3](=[O:4])[H:12])[H:10])([H:7])([H:8])[H:9].[N:5](=[C:6]([H:13])[H:14])[H:11],"InChI=1S/C3H8N2O/c1-4-3(6)5-2/h1-2H3,(H2,4,5,6)","InChI=1S/C2H5NO.CH3N/c1-3-2-4;1-2/h2H,1H3,(H,3,4);2H,1H2",93.1817,27.614009999999997,
6938,[C:1]([N:2]([C:3](=[O:4])[N:5]([C:6]([H:12])([H:13])[H:14])[H:11])[H:10])([H:7])([H:8])[H:9],[C-:1]([N+:2]([C:3](=[O:4])[N:5]([C:6]([H:12])([H:13])[H:14])[H:11])([H:8])[H:10])([H:7])[H:9],"InChI=1S/C3H8N2O/c1-4-3(6)5-2/h1-2H3,(H2,4,5,6)","InChI=1S/C3H8N2O/c1-4-3(6)5-2/h1,4H2,2H3,(H,5,6)",88.71769,67.63888,
6939,[C:1]([N:2]([C:3](=[O:4])[N:5]([C:6]([H:12])([H:13])[H:14])[H:11])[H:10])([H:7])([H:8])[H:9],[C:1]([N:2](/[C:3]([O:4][H:11])=[N:5]\[C:6]([H:12])([H:13])[H:14])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C3H8N2O/c1-4-3(6)5-2/h1-2H3,(H2,4,5,6)","InChI=1S/C3H8N2O/c1-4-3(6)5-2/h1-2H3,(H2,4,5,6)",39.28615,12.54433,ketoenol
6940,[C:1]([N:2]([C:3](=[O:4])[N:5]([C:6]([H:12])([H:13])[H:14])[H:11])[H:10])([H:7])([H:8])[H:9],[C:1]([N:2]([H:10])[H:11])([H:7])([H:8])[H:9].[C:3](=[O:4])=[N:5][C:6]([H:12])([H:13])[H:14],"InChI=1S/C3H8N2O/c1-4-3(6)5-2/h1-2H3,(H2,4,5,6)","InChI=1S/C2H3NO.CH5N/c1-3-2-4;1-2/h1H3;2H2,1H3",38.48174,18.965970000000002,
6941,[C:1]([N:2]([C:3](=[O:4])[N:5]([C:6]([H:12])([H:13])[H:14])[H:11])[H:10])([H:7])([H:8])[H:9],[C:1]([N:2]([H:8])[H:10])([H:7])[H:9].[C:3](=[O:4])[N:5]([C:6]([H:12])([H:13])[H:14])[H:11],"InChI=1S/C3H8N2O/c1-4-3(6)5-2/h1-2H3,(H2,4,5,6)","InChI=1S/C2H4NO.CH4N/c1-3-2-4;1-2/h1H3,(H,3,4);1-2H2",88.63043,86.58924,
6942,[C:1]([N:2]([C:3](=[O:4])[N:5]([C:6]([H:12])([H:13])[H:14])[H:11])[H:10])([H:7])([H:8])[H:9],[C:1]([N:2](/[C:3]([O:4][C:6]([H:12])([H:13])[H:14])=[N:5]\[H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C3H8N2O/c1-4-3(6)5-2/h1-2H3,(H2,4,5,6)","InChI=1S/C3H8N2O/c1-5-3(4)6-2/h1-2H3,(H2,4,5)",67.67081999999999,19.23558,ketoenol
6943,[C:1]([N:2]([C:3](=[O:4])[N:5]([C:6]([H:12])([H:13])[H:14])[H:11])[H:10])([H:7])([H:8])[H:9],[C:1]([N:2]([C:3](=[O:4])[C:6]([N:5]([H:11])[H:12])([H:13])[H:14])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C3H8N2O/c1-4-3(6)5-2/h1-2H3,(H2,4,5,6)","InChI=1S/C3H8N2O/c1-5-3(6)2-4/h2,4H2,1H3,(H,5,6)",120.95303999999999,3.04494,
6944,[C:1]([N:2]([C:3](=[O:4])[N:5]([C:6]([H:12])([H:13])[H:14])[H:11])[H:10])([H:7])([H:8])[H:9],[C:1]([N:2]([C-:3]=[O+:4][C:6]([N:5]([H:11])[H:12])([H:13])[H:14])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C3H8N2O/c1-4-3(6)5-2/h1-2H3,(H2,4,5,6)","InChI=1S/C3H8N2O/c1-5-3-6-2-4/h5H,2,4H2,1H3",89.33287,58.29153,
6945,[C:1]([N:2]([C:3](=[O:4])[N:5]([C:6]([H:12])([H:13])[H:14])[H:11])[H:10])([H:7])([H:8])[H:9],[C:1]([N:2]=[C:3]=[O:4])([H:7])([H:8])[H:9].[H:10][H:12].[N:5](=[C:6]([H:13])[H:14])[H:11],"InChI=1S/C3H8N2O/c1-4-3(6)5-2/h1-2H3,(H2,4,5,6)","InChI=1S/C2H3NO.CH3N.H2/c1-3-2-4;1-2;/h1H3;2H,1H2;1H",62.94386,44.35825,
6946,[C:1]([N:2]([C:3](=[O:4])[N:5]([C:6]([H:12])([H:13])[H:14])[H:11])[H:10])([H:7])([H:8])[H:9],[C:1]([N:2]([C:3]1=[N:5][C:6]([H:13])([H:14])[O:4]1)[H:10])([H:7])([H:8])[H:9].[H:11][H:12],"InChI=1S/C3H8N2O/c1-4-3(6)5-2/h1-2H3,(H2,4,5,6)","InChI=1S/C3H6N2O.H2/c1-4-3-5-2-6-3;/h2H2,1H3,(H,4,5);1H",98.74756,57.49193,
6947,[C:1]([N:2]([C:3](=[O:4])[N:5]([C:6]([H:12])([H:13])[H:14])[H:11])[H:10])([H:7])([H:8])[H:9],[C:1]([N:5]([C:6]([H:12])([H:13])[H:14])[H:11])([H:7])([H:8])[H:9].[N:2](=[C:3]=[O:4])[H:10],"InChI=1S/C3H8N2O/c1-4-3(6)5-2/h1-2H3,(H2,4,5,6)","InChI=1S/C2H7N.CHNO/c1-3-2;2-1-3/h3H,1-2H3;2H",77.23132,18.003429999999998,
6948,[C:1]([C:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])=[C:5]([H:14])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([C:2]1([H:10])[C:3]([H:12])=[C:4]([H:13])[C:5]([H:14])=[C:6]1[H:16])([H:7])([H:8])[H:9].[H:11][H:15],"InChI=1S/C6H10/c1-6-4-2-3-5-6/h2-3,6H,4-5H2,1H3","InChI=1S/C6H8.H2/c1-6-4-2-3-5-6;/h2-6H,1H3;1H",50.19041,24.80615,
6949,[C:1]([C:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])=[C:5]([H:14])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([C:2]([C:6]([C:5](=[C:4]=[C:3]([H:11])[H:12])[H:14])([H:15])[H:16])([H:10])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-6-4-2-3-5-6/h2-3,6H,4-5H2,1H3","InChI=1S/C6H10/c1-3-5-6-4-2/h5H,1,4,6H2,2H3",123.09058,22.38775,
6950,[C:1]([C:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])=[C:5]([H:14])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([C+:2]1[C:3]([H:11])([H:12])[C:4]([H:10])([H:13])[C-:5]([H:14])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-6-4-2-3-5-6/h2-3,6H,4-5H2,1H3","InChI=1S/C6H10/c1-6-4-2-3-5-6/h2H,3-5H2,1H3",79.60549,80.55853,
6951,[C:1]([C:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])=[C:5]([H:14])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([C@:2]1([H:10])[C:3]([H:11])([H:12])[C:4][C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-6-4-2-3-5-6/h2-3,6H,4-5H2,1H3","InChI=1S/C6H10/c1-6-4-2-3-5-6/h6H,2,4-5H2,1H3/t6-/m0/s1",69.34387,71.02141999999999,Singlet_Carbene_Intra_Disproportionation
6952,[C:1]([C:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])=[C:5]([H:14])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([C@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])=[C:5]=[C:6]1[H:16])([H:7])([H:8])[H:9].[H:14][H:15],"InChI=1S/C6H10/c1-6-4-2-3-5-6/h2-3,6H,4-5H2,1H3","InChI=1S/C6H8.H2/c1-6-4-2-3-5-6;/h2,5-6H,4H2,1H3;1H/t6-;/m1./s1",97.21884,88.14331,
6953,[C:1]([C:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])=[C:5]([H:14])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([C:2]([C:6](/[C:5](=[C:4](\[C:3][H:11])[H:13])[H:14])([H:15])[H:16])([H:10])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-6-4-2-3-5-6/h2-3,6H,4-5H2,1H3","InChI=1S/C6H10/c1-3-5-6-4-2/h1,3,5H,4,6H2,2H3/b5-3-",81.74967,87.9352,
6954,[C:1]([C:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])=[C:5]([H:14])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([C@:2]1([H:10])[C:3]([H:11])([H:12])[C@@:4]1([C:5](=[C:6]([H:15])[H:16])[H:14])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-6-4-2-3-5-6/h2-3,6H,4-5H2,1H3","InChI=1S/C6H10/c1-3-6-4-5(6)2/h3,5-6H,1,4H2,2H3/t5-,6+/m1/s1",67.8774,22.29948,
6955,[C:1]([C:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])=[C:5]([H:14])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([C@:2]1([H:10])[C:3]([H:11])=[C:4]([H:13])[C:5]([H:12])([H:14])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-6-4-2-3-5-6/h2-3,6H,4-5H2,1H3","InChI=1S/C6H10/c1-6-4-2-3-5-6/h2,4,6H,3,5H2,1H3/t6-/m1/s1",75.76078000000001,0.0553,
6956,[O:1]([C:2]([C:3]([C@@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]1)([H:10])[H:11])([H:8])[H:9])[H:7],[O:1]([C:2]([C:3]([C@@:4]([C:5][H:14])([O:6][H:13])[H:12])([H:10])[H:11])([H:8])[H:9])[H:7],"InChI=1S/C4H8O2/c5-2-1-4-3-6-4/h4-5H,1-3H2/t4-/m0/s1","InChI=1S/C4H8O2/c1-4(6)2-3-5/h1,4-6H,2-3H2/t4-/m1/s1",69.85975,68.57904,
6957,[O:1]([C:2]([C:3]([C@@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]1)([H:10])[H:11])([H:8])[H:9])[H:7],[O:1]([C:2]([C:3]([C:4]([O+:6]=[C-:5][H:14])([H:12])[H:13])([H:10])[H:11])([H:8])[H:9])[H:7],"InChI=1S/C4H8O2/c5-2-1-4-3-6-4/h4-5H,1-3H2/t4-/m0/s1","InChI=1S/C4H8O2/c1-6-4-2-3-5/h1,5H,2-4H2",75.74262,48.04166,
6958,[O:1]([C:2]([C:3]([C@@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]1)([H:10])[H:11])([H:8])[H:9])[H:7],[O:1]1[C:2]([H:8])([H:9])[C:3]([H:10])([H:11])[C@@:4]([O:6][H:7])([H:12])[C:5]1([H:13])[H:14],"InChI=1S/C4H8O2/c5-2-1-4-3-6-4/h4-5H,1-3H2/t4-/m0/s1","InChI=1S/C4H8O2/c5-4-1-2-6-3-4/h4-5H,1-3H2/t4-/m0/s1",45.12808,-16.838739999999998,
6959,[O:1]([C:2]([C:3]([C@@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]1)([H:10])[H:11])([H:8])[H:9])[H:7],[C-:4]1=[O+:6][C:5]1([H:13])[H:14].[O:1]([C:2]([C:3]([H:10])([H:11])[H:12])([H:8])[H:9])[H:7],"InChI=1S/C4H8O2/c5-2-1-4-3-6-4/h4-5H,1-3H2/t4-/m0/s1","InChI=1S/C2H2O.C2H6O/c1-2-3-1;1-2-3/h1H2;3H,2H2,1H3",77.64018,60.218759999999996,
6960,[O:1]([C:2]([C:3]([C@@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]1)([H:10])[H:11])([H:8])[H:9])[H:7],[C:3](=[C:4]([C:5]([O:6][H:7])([H:13])[H:14])[H:12])([H:10])[H:11].[O:1]=[C:2]([H:8])[H:9],"InChI=1S/C4H8O2/c5-2-1-4-3-6-4/h4-5H,1-3H2/t4-/m0/s1","InChI=1S/C3H6O.CH2O/c1-2-3-4;1-2/h2,4H,1,3H2;1H2",27.10595,8.66099,
6961,[O:1]([C:2]([C:3]([C@@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]1)([H:10])[H:11])([H:8])[H:9])[H:7],[C-:4]1=[O+:6][C:5]1([H:13])[H:14].[C:2](=[C:3]([H:10])[H:11])([H:8])[H:9].[O:1]([H:7])[H:12],"InChI=1S/C4H8O2/c5-2-1-4-3-6-4/h4-5H,1-3H2/t4-/m0/s1",InChI=1S/C2H2O.C2H4.H2O/c1-2-3-1;1-2;/h1H2;1-2H2;1H2,81.18073000000001,73.9149,
6962,[O:1]([C:2]([C:3]([C@@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]1)([H:10])[H:11])([H:8])[H:9])[H:7],[C:4](=[C:5]([H:13])[H:14])([O:6][H:8])[H:12].[O:1]([C:2](=[C:3]([H:10])[H:11])[H:9])[H:7],"InChI=1S/C4H8O2/c5-2-1-4-3-6-4/h4-5H,1-3H2/t4-/m0/s1","InChI=1S/2C2H4O/c2*1-2-3/h2*2-3H,1H2",61.20479,2.26065,
6963,[O:1]([C:2]([C:3]([C@@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]1)([H:10])[H:11])([H:8])[H:9])[H:7],[C:2]1([H:8])([H:9])[C:3]([H:10])([H:11])[C@:4]2([H:12])[C@@:5]1([H:14])[O:6]2.[O:1]([H:7])[H:13],"InChI=1S/C4H8O2/c5-2-1-4-3-6-4/h4-5H,1-3H2/t4-/m0/s1","InChI=1S/C4H6O.H2O/c1-2-4-3(1)5-4;/h3-4H,1-2H2;1H2/t3-,4+;",82.56629000000001,20.53924,
6964,[O:1]([C:2]([C:3]([C@@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]1)([H:10])[H:11])([H:8])[H:9])[H:7],[H:10][H:12].[O:1]([C:2](/[C:3](=[C:4]1/[C:5]([H:13])([H:14])[O:6]1)[H:11])([H:8])[H:9])[H:7],"InChI=1S/C4H8O2/c5-2-1-4-3-6-4/h4-5H,1-3H2/t4-/m0/s1","InChI=1S/C4H6O2.H2/c5-2-1-4-3-6-4;/h1,5H,2-3H2;1H/b4-1-;",110.7661,34.91348,
6965,[O:1]([C:2]([C:3]([C@@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]1)([H:10])[H:11])([H:8])[H:9])[H:7],[H:13][H:14].[O:1]([C:2]([C:3]([C@@:4]1([H:12])[C-:5]=[O+:6]1)([H:10])[H:11])([H:8])[H:9])[H:7],"InChI=1S/C4H8O2/c5-2-1-4-3-6-4/h4-5H,1-3H2/t4-/m0/s1","InChI=1S/C4H6O2.H2/c5-2-1-4-3-6-4;/h4-5H,1-2H2;1H/t4-;/m0./s1",82.31875,66.73878,
6966,[O:1]([C:2]([C:3]([C@@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]1)([H:10])[H:11])([H:8])[H:9])[H:7],[O:1]([C:2]([C:3]([O:6][C:5]([C:4][H:12])([H:13])[H:14])([H:10])[H:11])([H:8])[H:9])[H:7],"InChI=1S/C4H8O2/c5-2-1-4-3-6-4/h4-5H,1-3H2/t4-/m0/s1","InChI=1S/C4H8O2/c1-2-6-4-3-5/h1,5H,2-4H2",101.03208000000001,82.42354,
6967,[O:1]([C:2]([C:3]([C@@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]1)([H:10])[H:11])([H:8])[H:9])[H:7],[C:2]([H:8])[H:9].[O:1]([C:3]([C@@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]1)([H:10])[H:11])[H:7],"InChI=1S/C4H8O2/c5-2-1-4-3-6-4/h4-5H,1-3H2/t4-/m0/s1","InChI=1S/C3H6O2.CH2/c4-1-3-2-5-3;/h3-4H,1-2H2;1H2/t3-;/m0./s1",113.05791,117.85463,
6968,[O:1]([C:2]([C:3]([C@@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]1)([H:10])[H:11])([H:8])[H:9])[H:7],[C:2]1([H:8])([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])[C:5]([H:13])([H:14])[O:6]1.[O:1][H:7],"InChI=1S/C4H8O2/c5-2-1-4-3-6-4/h4-5H,1-3H2/t4-/m0/s1","InChI=1S/C4H7O.HO/c1-2-4-5-3-1;/h1H,2-4H2;1H",109.0509,80.4343,
6969,[O:1]([C:2]([C:3]([C@@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]1)([H:10])[H:11])([H:8])[H:9])[H:7],[O:1]([C:2]([C:3]([C:4][C:5]([O:6][H:12])([H:13])[H:14])([H:10])[H:11])([H:8])[H:9])[H:7],"InChI=1S/C4H8O2/c5-2-1-4-3-6-4/h4-5H,1-3H2/t4-/m0/s1","InChI=1S/C4H8O2/c5-3-1-2-4-6/h5-6H,1,3-4H2",65.57913,62.5171,
6970,[O:1]([C:2]([C:3]([C@@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]1)([H:10])[H:11])([H:8])[H:9])[H:7],[C:2]([C:3]([C@@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]1)([H:10])[H:11])[H:9].[O:1]([H:7])[H:8],"InChI=1S/C4H8O2/c5-2-1-4-3-6-4/h4-5H,1-3H2/t4-/m0/s1","InChI=1S/C4H6O.H2O/c1-2-4-3-5-4;/h1,4H,2-3H2;1H2/t4-;/m0./s1",74.85763,96.64103,
6971,[O:1]([C:2]([C:3]([C@@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]1)([H:10])[H:11])([H:8])[H:9])[H:7],[C:4]1([H:7])([H:12])[C:5]([H:13])([H:14])[O:6]1.[O:1]=[C:2]([C:3]([H:9])([H:10])[H:11])[H:8],"InChI=1S/C4H8O2/c5-2-1-4-3-6-4/h4-5H,1-3H2/t4-/m0/s1","InChI=1S/2C2H4O/c1-2-3-1;1-2-3/h1-2H2;2H,1H3",84.3778,13.58123,
6972,[O:1]([C:2]([C:3]([C@@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]1)([H:10])[H:11])([H:8])[H:9])[H:7],[H:12][H:14].[O:1]([C:2]([C:3]([C:4](=[C+:5][H:13])[O-:6])([H:10])[H:11])([H:8])[H:9])[H:7],"InChI=1S/C4H8O2/c5-2-1-4-3-6-4/h4-5H,1-3H2/t4-/m0/s1","InChI=1S/C4H6O2.H2/c1-4(6)2-3-5;/h1,5H,2-3H2;1H",107.03436,70.34176,
6973,[O:1]([C:2]([C:3]([C@@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]1)([H:10])[H:11])([H:8])[H:9])[H:7],[C:3](=[C:4]([H:7])[H:12])([H:10])[H:11].[C:5](=[O:6])([H:13])[H:14].[O:1]=[C:2]([H:8])[H:9],"InChI=1S/C4H8O2/c5-2-1-4-3-6-4/h4-5H,1-3H2/t4-/m0/s1",InChI=1S/C2H4.2CH2O/c3*1-2/h1-2H2;2*1H2,78.85694000000001,26.5903,
6974,[O:1]([C:2]([C:3]([C@@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]1)([H:10])[H:11])([H:8])[H:9])[H:7],[O:1]([C:2]([C:3]([C:4](=[O+:6][C-:5]([H:13])[H:14])[H:12])([H:10])[H:11])([H:8])[H:9])[H:7],"InChI=1S/C4H8O2/c5-2-1-4-3-6-4/h4-5H,1-3H2/t4-/m0/s1","InChI=1S/C4H8O2/c1-6-4-2-3-5/h4-5H,1-3H2",53.04296,43.20863,
6975,[O:1]([C:2]([C:3]([C@@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]1)([H:10])[H:11])([H:8])[H:9])[H:7],[C:2](=[C:3]([C@@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]1)[H:11])([H:8])[H:9].[O:1]([H:7])[H:10],"InChI=1S/C4H8O2/c5-2-1-4-3-6-4/h4-5H,1-3H2/t4-/m0/s1","InChI=1S/C4H6O.H2O/c1-2-4-3-5-4;/h2,4H,1,3H2;1H2/t4-;/m0./s1",61.05471,12.41363,"1,3_Insertion_ROR"
6976,[N:1]([c:2]1[n:3][o:4][n:5][n:6]1)([H:7])[H:8],[N:1]([C:2]#[N+:3][O-:4])([H:7])[H:8].[N:5]#[N:6],"InChI=1S/CH2N4O/c2-1-3-5-6-4-1/h(H2,2,4)",InChI=1S/CH2N2O.N2/c2-1-3-4;1-2/h2H2;,4.51423,-13.3923,
6977,[N:1]([c:2]1[n:3][o:4][n:5][n:6]1)([H:7])[H:8],[N:1](=[c:2]1/[n:3]([H:7])[o:4][n:5][n:6]1)\[H:8],"InChI=1S/CH2N4O/c2-1-3-5-6-4-1/h(H2,2,4)","InChI=1S/CH2N4O/c2-1-3-5-6-4-1/h(H2,2,4)",65.59770999999999,23.118170000000003,
6978,[N:1]([c:2]1[n:3][o:4][n:5][n:6]1)([H:7])[H:8],[N:1]([C:2]#[N:3])([H:7])[H:8].[O:4]=[N+:5]=[N-:6],"InChI=1S/CH2N4O/c2-1-3-5-6-4-1/h(H2,2,4)",InChI=1S/CH2N2.N2O/c2-1-3;1-2-3/h2H2;,25.49395,-10.10101,
6979,[N:1]([c:2]1[n:3][o:4][n:5][n:6]1)([H:7])[H:8],[N:1](=[c:2]1[n-:3][o+:4][n:5][n:6]1[H:8])[H:7],"InChI=1S/CH2N4O/c2-1-3-5-6-4-1/h(H2,2,4)","InChI=1S/CH2N4O/c2-1-3-5-6-4-1/h(H2,2,3)",64.43954000000001,32.89568,
6980,[N:1]([c:2]1[n:3][o:4][n:5][n:6]1)([H:7])[H:8],[N:1]([C:2](=[N:3][O-:4])[N+:6]#[N:5])([H:7])[H:8],"InChI=1S/CH2N4O/c2-1-3-5-6-4-1/h(H2,2,4)",InChI=1S/CH2N4O/c2-1(4-3)5-6/h2-3H,48.19015,14.34725,
6981,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4](=[O:5])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C@@:2]([C:3](=[C:4]=[O:5])[H:11])([O:6][H:12])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H6O2/c1-3-2-4(5)6-3/h3H,2H2,1H3/t3-/m0/s1","InChI=1S/C4H6O2/c1-4(6)2-3-5/h2,4,6H,1H3/t4-/m0/s1",74.04228,15.10934,
6982,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4](=[O:5])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C:2](=[O:6])[H:10])([H:7])([H:8])[H:9].[C:3](=[C:4]=[O:5])([H:11])[H:12],"InChI=1S/C4H6O2/c1-3-2-4(5)6-3/h3H,2H2,1H3/t3-/m0/s1","InChI=1S/C2H4O.C2H2O/c2*1-2-3/h2H,1H3;1H2",42.82582,24.84712,2+2_cycloaddition
6983,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4](=[O:5])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]([H:11])[H:12])[H:10])([H:7])([H:8])[H:9].[C:4](=[O:5])=[O:6],"InChI=1S/C4H6O2/c1-3-2-4(5)6-3/h3H,2H2,1H3/t3-/m0/s1","InChI=1S/C3H6.CO2/c1-3-2;2-1-3/h3H,1H2,2H3;",27.70488,-12.63449,2+2_cycloaddition
6984,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4](=[O:5])[O:6]1)([H:7])([H:8])[H:9],[C-:2]1=[O+:6][C:4](=[O:5])[C:3]1([H:11])[H:12].[C:1]([H:7])([H:8])([H:9])[H:10],"InChI=1S/C4H6O2/c1-3-2-4(5)6-3/h3H,2H2,1H3/t3-/m0/s1",InChI=1S/C3H2O2.CH4/c4-3-1-2-5-3;/h1H2;1H4,81.27157,72.43875,
6985,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4](=[O:5])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:12])=[C:4]([O:5][H:11])[O:6]1)([H:7])([H:8])[H:9],"InChI=1S/C4H6O2/c1-3-2-4(5)6-3/h3H,2H2,1H3/t3-/m0/s1","InChI=1S/C4H6O2/c1-3-2-4(5)6-3/h2-3,5H,1H3/t3-/m0/s1",84.73348,31.6207,ketoenol
6986,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4](=[O:5])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]([O:6][C:4](=[C+:3][H:11])[O-:5])([H:10])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H6O2/c1-3-2-4(5)6-3/h3H,2H2,1H3/t3-/m0/s1","InChI=1S/C4H6O2/c1-3-6-4(2)5/h2H,3H2,1H3",77.62514,79.55762,
6987,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4](=[O:5])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C-:2]1[C:3]([H:11])([H:12])[C:4]([O:5][H:10])=[O+:6]1)([H:7])([H:8])[H:9],"InChI=1S/C4H6O2/c1-3-2-4(5)6-3/h3H,2H2,1H3/t3-/m0/s1","InChI=1S/C4H6O2/c1-3-2-4(5)6-3/h5H,2H2,1H3",106.26298,74.92071999999999,
6988,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4](=[O:5])[O:6]1)([H:7])([H:8])[H:9],[C-:4]#[O+:5].[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[O:6]1)([H:7])([H:8])[H:9],"InChI=1S/C4H6O2/c1-3-2-4(5)6-3/h3H,2H2,1H3/t3-/m0/s1","InChI=1S/C3H6O.CO/c1-3-2-4-3;1-2/h3H,2H2,1H3;/t3-;/m0./s1",83.53518000000001,30.83355,
6989,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4](=[O:5])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]([C:3](=[C:4]=[O:5])[H:12])=[O:6])([H:7])([H:8])[H:9].[H:10][H:11],"InChI=1S/C4H6O2/c1-3-2-4(5)6-3/h3H,2H2,1H3/t3-/m0/s1","InChI=1S/C4H4O2.H2/c1-4(6)2-3-5;/h2H,1H3;1H",89.70679,21.67471,
6990,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4](=[O:5])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C:2][H:10])([H:7])([H:8])[H:9].[C:3]1([H:11])([H:12])[C:4](=[O:5])[O:6]1,"InChI=1S/C4H6O2/c1-3-2-4(5)6-3/h3H,2H2,1H3/t3-/m0/s1","InChI=1S/C2H2O2.C2H4/c3-2-1-4-2;1-2/h1H2;1H,2H3",119.63708000000001,127.63596000000001,
6991,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4](=[O:5])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C:3]([C:4](=[O:5])[O+:6]=[C-:2][H:10])([H:11])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H6O2/c1-3-2-4(5)6-3/h3H,2H2,1H3/t3-/m0/s1","InChI=1S/C4H6O2/c1-3-4(5)6-2/h2H,3H2,1H3",114.44903000000001,68.62904,
6992,[C:1]([C:2](=[O:3])[C:4]([C:5]#[N:6])([H:10])[H:11])([H:7])([H:8])[H:9],[C-:2]#[O+:3].[C:1]([N:6]=[C:5]=[C:4]([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-4(6)2-3-5/h2H2,1H3","InChI=1S/C3H5N.CO/c1-3-4-2;1-2/h1H2,2H3;",82.51786,28.527859999999997,
6993,[C:1]([C:2](=[O:3])[C:4]([C:5]#[N:6])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]1([H:7])([H:9])[C@:2]([C:4]([C:5]#[N:6])([H:10])[H:11])([H:8])[O:3]1,"InChI=1S/C4H5NO/c1-4(6)2-3-5/h2H2,1H3","InChI=1S/C4H5NO/c5-2-1-4-3-6-4/h4H,1,3H2/t4-/m1/s1",86.7812,29.17182,
6994,[C:1]([C:2](=[O:3])[C:4]([C:5]#[N:6])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](=[O:3])[C:4](=[C:5]=[N:6][H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-4(6)2-3-5/h2H2,1H3","InChI=1S/C4H5NO/c1-4(6)2-3-5/h2,5H,1H3",71.32619,10.44997,
6995,[C:1]([C:2](=[O:3])[C:4]([C:5]#[N:6])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](=[O:3])[N:6]=[C:5]=[C:4]([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-4(6)2-3-5/h2H2,1H3","InChI=1S/C4H5NO/c1-3-5-4(2)6/h1H2,2H3",52.77645,15.099179999999999,
6996,[C:1]([C:2](=[O:3])[C:4]([C:5]#[N:6])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](/[C:2]([O:3][H:10])=[C:4](\[C:5]#[N:6])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-4(6)2-3-5/h2H2,1H3","InChI=1S/C4H5NO/c1-4(6)2-3-5/h2,6H,1H3/b4-2+",52.89686999999999,-0.24011999999999997,ketoenol
6997,[C:1]([C:2](=[O:3])[C:4]([C:5]#[N:6])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C@@:4]([C:2](=[O:3])[H:10])([C:5]#[N:6])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-4(6)2-3-5/h2H2,1H3","InChI=1S/C4H5NO/c1-4(2-5)3-6/h3-4H,1H3/t4-/m1/s1",74.82711,7.80179,
6998,[C:1]([C:2](=[O:3])[C:4]([C:5]#[N:6])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([C:5]#[N:6])[O:3][C:4]1([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-4(6)2-3-5/h2H2,1H3","InChI=1S/C4H5NO/c1-4(2-5)3-6-4/h3H2,1H3/t4-/m0/s1",90.54066999999999,27.97853,
6999,[C:1]([C:2](=[O:3])[C:4]([C:5]#[N:6])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([c:2]1[o:3][n:6][c:5]([H:10])[c:4]1[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-4(6)2-3-5/h2H2,1H3","InChI=1S/C4H5NO/c1-4-2-3-5-6-4/h2-3H,1H3",71.49425,21.21775,
7000,[C:1]([C:2](=[O:3])[C:4]([C:5]#[N:6])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]([O:3][H:8])[C:4]([C:5]#[N:6])([H:10])[H:11])([H:7])[H:9],"InChI=1S/C4H5NO/c1-4(6)2-3-5/h2H2,1H3","InChI=1S/C4H5NO/c1-4(6)2-3-5/h6H,1-2H2",65.10914,12.29383,ketoenol
7001,[C:1]([C:2](=[O:3])[C:4]([C:5]#[N:6])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](=[O:3])[C:4]([N+:6]#[C-:5])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-4(6)2-3-5/h2H2,1H3","InChI=1S/C4H5NO/c1-4(6)3-5-2/h3H2,1H3",59.29987,25.96293,
7002,[C:1]([C:2](=[O:3])[C:4]([C:5]#[N:6])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([O:3][C:5]#[N:6])=[C:4]([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-4(6)2-3-5/h2H2,1H3","InChI=1S/C4H5NO/c1-4(2)6-3-5/h1H2,2H3",77.20781,25.1797,ketoenol
7003,[C:1]([C:2](=[O:3])[C:4]([C:5]#[N:6])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]=[O:3])([H:7])[H:9].[C:4](=[C:5]=[N:6][H:8])([H:10])[H:11],"InChI=1S/C4H5NO/c1-4(6)2-3-5/h2H2,1H3","InChI=1S/C2H3N.C2H2O/c2*1-2-3/h3H,1H2;1H2",55.75199,39.557959999999994,Retroene
7004,[C:1]([C:2](=[O:3])[C:4]([C:5]#[N:6])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]1=[C:5]([N:6]=[O:3])[C:4]1([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-4(6)2-3-5/h2H2,1H3","InChI=1S/C4H5NO/c1-3-2-4(3)5-6/h2H2,1H3",157.2919,96.9701,
7005,[C:1]([C:2](=[O:3])[C:4]([C:5]#[N:6])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([O:3][N+:6]#[C-:5])=[C:4]([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-4(6)2-3-5/h2H2,1H3","InChI=1S/C4H5NO/c1-4(2)6-5-3/h1H2,2H3",102.80207,85.70997,
7006,[C:1]([C:2](=[O:3])[C:4]([C:5]#[N:6])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:10].[C:2](=[O:3])=[C:4]([C:5]#[N:6])[H:11],"InChI=1S/C4H5NO/c1-4(6)2-3-5/h2H2,1H3",InChI=1S/C3HNO.CH4/c4-2-1-3-5;/h1H;1H4,77.72574,17.6922,
7007,[C:1]([C:2](=[O:3])[C:4]([C:5]#[N:6])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:4]([C:2](=[O:3])[C:5]#[N:6])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-4(6)2-3-5/h2H2,1H3","InChI=1S/C4H5NO/c1-2-4(6)3-5/h2H2,1H3",91.91821,6.20653,
7008,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@:4]1([C:5](=[O:6])[H:12])[H:11])[H:7],[C-:5]#[O+:6].[H:10][H:12].[O:1]([C:2]1([H:8])[C:3]([H:9])=[C:4]1[H:11])[H:7],"InChI=1S/C4H6O2/c5-2-3-1-4(3)6/h2-4,6H,1H2/t3-,4-/m0/s1",InChI=1S/C3H4O.CO.H2/c4-3-1-2-3;1-2;/h1-4H;;1H,74.73031999999999,50.34305,
7009,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@:4]1([C:5](=[O:6])[H:12])[H:11])[H:7],[O:1]([O:6][C@:5]1([H:12])[C@@:2]2([H:8])[C:3]([H:9])([H:10])[C@:4]21[H:11])[H:7],"InChI=1S/C4H6O2/c5-2-3-1-4(3)6/h2-4,6H,1H2/t3-,4-/m0/s1","InChI=1S/C4H6O2/c5-6-4-2-1-3(2)4/h2-5H,1H2/t2-,3+,4+",112.41356,85.6098,
7010,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@:4]1([C:5](=[O:6])[H:12])[H:11])[H:7],[O:1]=[C:2]([C:3]([C:4]([C:5](=[O:6])[H:12])([H:7])[H:11])([H:9])[H:10])[H:8],"InChI=1S/C4H6O2/c5-2-3-1-4(3)6/h2-4,6H,1H2/t3-,4-/m0/s1","InChI=1S/C4H6O2/c5-3-1-2-4-6/h3-4H,1-2H2",31.865479999999998,-13.233620000000002,
7011,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@:4]1([C:5](=[O:6])[H:12])[H:11])[H:7],[C:2]1([H:8])=[C:4]([H:11])[C:3]1([H:9])[H:10].[O:1]([C:5](=[O:6])[H:12])[H:7],"InChI=1S/C4H6O2/c5-2-3-1-4(3)6/h2-4,6H,1H2/t3-,4-/m0/s1","InChI=1S/C3H4.CH2O2/c1-2-3-1;2-1-3/h1-2H,3H2;1H,(H,2,3)",67.38628,31.3448,
7012,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@:4]1([C:5](=[O:6])[H:12])[H:11])[H:7],[O:1]([C:2][C@@:4]([C:3]([H:8])([H:9])[H:10])([C:5](=[O:6])[H:12])[H:11])[H:7],"InChI=1S/C4H6O2/c5-2-3-1-4(3)6/h2-4,6H,1H2/t3-,4-/m0/s1","InChI=1S/C4H6O2/c1-4(2-5)3-6/h2,4,6H,1H3/t4-/m0/s1",56.590180000000004,43.876709999999996,
7013,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@:4]1([C:5](=[O:6])[H:12])[H:11])[H:7],[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@@:5]2([H:12])[C@:4]1([H:11])[O:6]2)[H:7],"InChI=1S/C4H6O2/c5-2-3-1-4(3)6/h2-4,6H,1H2/t3-,4-/m0/s1","InChI=1S/C4H6O2/c5-2-1-3-4(2)6-3/h2-5H,1H2/t2-,3-,4+/m0/s1",69.70144,25.978679999999997,
7014,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@:4]1([C:5](=[O:6])[H:12])[H:11])[H:7],[O:1]([C:2][C:3]([C:4]([C:5](=[O:6])[H:12])([H:8])[H:11])([H:9])[H:10])[H:7],"InChI=1S/C4H6O2/c5-2-3-1-4(3)6/h2-4,6H,1H2/t3-,4-/m0/s1","InChI=1S/C4H6O2/c5-3-1-2-4-6/h3,6H,1-2H2",47.9217,40.36573,
7015,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@:4]1([C:5](=[O:6])[H:12])[H:11])[H:7],[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[O:6][C:5]([H:12])=[C:4]1[H:11])[H:7],"InChI=1S/C4H6O2/c5-2-3-1-4(3)6/h2-4,6H,1H2/t3-,4-/m0/s1","InChI=1S/C4H6O2/c5-4-1-2-6-3-4/h1-2,4-5H,3H2/t4-/m1/s1",41.0338,-3.3787199999999995,ketoenol
7016,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@:4]1([C:5](=[O:6])[H:12])[H:11])[H:7],[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])=[C:5]([H:12])[O:6]1)[H:7],"InChI=1S/C4H6O2/c5-2-3-1-4(3)6/h2-4,6H,1H2/t3-,4-/m0/s1","InChI=1S/C4H6O2/c5-4-2-1-3-6-4/h1,3-5H,2H2/t4-/m1/s1",25.40953,-11.79135,ketoenol
7017,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@:4]1([C:5](=[O:6])[H:12])[H:11])[H:7],[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])/[C:4]1=[C:5](\[O:6][H:11])[H:12])[H:7],"InChI=1S/C4H6O2/c5-2-3-1-4(3)6/h2-4,6H,1H2/t3-,4-/m0/s1","InChI=1S/C4H6O2/c5-2-3-1-4(3)6/h2,4-6H,1H2/b3-2+/t4-/m0/s1",64.69494,14.907820000000001,ketoenol
7018,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@:4]1([C:5](=[O:6])[H:12])[H:11])[H:7],[O:1]([C@@:2]([C:3]([H:9])([H:10])[H:12])([C:4](=[C:5]=[O:6])[H:11])[H:8])[H:7],"InChI=1S/C4H6O2/c5-2-3-1-4(3)6/h2-4,6H,1H2/t3-,4-/m0/s1","InChI=1S/C4H6O2/c1-4(6)2-3-5/h2,4,6H,1H3/t4-/m0/s1",45.45002,-9.319230000000001,
7019,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@:4]1([C:5](=[O:6])[H:12])[H:11])[H:7],[O:1](/[C:2](=[C:3]([C:4](=[C:5](/[O:6][H:10])[H:12])\[H:11])/[H:9])[H:8])[H:7],"InChI=1S/C4H6O2/c5-2-3-1-4(3)6/h2-4,6H,1H2/t3-,4-/m0/s1","InChI=1S/C4H6O2/c5-3-1-2-4-6/h1-6H/b3-1-,4-2-",26.328909999999997,-13.06889,
7020,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@:4]1([C:5](=[O:6])[H:12])[H:11])[H:7],[O:1](/[C:2](=[C:4](/[C:3]([H:9])([H:10])[H:11])[C:5](=[O:6])[H:12])[H:8])[H:7],"InChI=1S/C4H6O2/c5-2-3-1-4(3)6/h2-4,6H,1H2/t3-,4-/m0/s1","InChI=1S/C4H6O2/c1-4(2-5)3-6/h2-3,5H,1H3/b4-2-",59.29346999999999,-17.58212,
7021,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@:4]1([C:5](=[O:6])[H:12])[H:11])[H:7],[O:1]1[C@@:2]2([H:8])[C:3]([H:9])([H:10])[C@@:4]2([H:11])[C@@:5]1([O:6][H:7])[H:12],"InChI=1S/C4H6O2/c5-2-3-1-4(3)6/h2-4,6H,1H2/t3-,4-/m0/s1","InChI=1S/C4H6O2/c5-4-2-1-3(2)6-4/h2-5H,1H2/t2-,3+,4-/m1/s1",46.434979999999996,19.90276,
7022,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@:4]1([C:5](=[O:6])[H:12])[H:11])[H:7],[H:7][H:8].[O:1]=[C:2]1[C:3]([H:9])([H:10])[C@:4]1([C:5](=[O:6])[H:12])[H:11],"InChI=1S/C4H6O2/c5-2-3-1-4(3)6/h2-4,6H,1H2/t3-,4-/m0/s1","InChI=1S/C4H4O2.H2/c5-2-3-1-4(3)6;/h2-3H,1H2;1H/t3-;/m0./s1",86.47291,27.6889,
7023,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@:4]1([C:5](=[O:6])[H:12])[H:11])[H:7],[C:2]1([H:8])=[C:3]([H:9])[C:4]1([C:5](=[O:6])[H:12])[H:11].[O:1]([H:7])[H:10],"InChI=1S/C4H6O2/c5-2-3-1-4(3)6/h2-4,6H,1H2/t3-,4-/m0/s1",InChI=1S/C4H4O.H2O/c5-3-4-1-2-4;/h1-4H;1H2,72.3601,34.1591,
7024,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@:4]1([C:5](=[O:6])[H:12])[H:11])[H:7],[H:11][H:12].[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]1=[C:5]=[O:6])[H:7],"InChI=1S/C4H6O2/c5-2-3-1-4(3)6/h2-4,6H,1H2/t3-,4-/m0/s1","InChI=1S/C4H4O2.H2/c5-2-3-1-4(3)6;/h4,6H,1H2;1H/t4-;/m0./s1",81.03625,33.572520000000004,
7025,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@:4]1([C:5](=[O:6])[H:12])[H:11])[H:7],[O:1]([C:3]([C@:4]([C:2][H:8])([C:5](=[O:6])[H:12])[H:11])([H:9])[H:10])[H:7],"InChI=1S/C4H6O2/c5-2-3-1-4(3)6/h2-4,6H,1H2/t3-,4-/m0/s1","InChI=1S/C4H6O2/c1-4(2-5)3-6/h1-2,4,6H,3H2/t4-/m1/s1",92.26646,79.34933000000001,
7026,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@:4]1([C:5](=[O:6])[H:12])[H:11])[H:7],[O:1](/[C:2](=[C:4](\[C:3]([O+:6]=[C-:5][H:12])([H:9])[H:10])[H:11])[H:8])[H:7],"InChI=1S/C4H6O2/c5-2-3-1-4(3)6/h2-4,6H,1H2/t3-,4-/m0/s1","InChI=1S/C4H6O2/c1-6-4-2-3-5/h1-3,5H,4H2/b3-2-",76.98248000000001,59.35954,
7027,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@:4]1([C:5](=[O:6])[H:12])[H:11])[H:7],[C:2]1[C:3]([H:9])([H:10])[C@:4]1([C:5](=[O:6])[H:12])[H:11].[O:1]([H:7])[H:8],"InChI=1S/C4H6O2/c5-2-3-1-4(3)6/h2-4,6H,1H2/t3-,4-/m0/s1","InChI=1S/C4H4O.H2O/c5-3-4-1-2-4;/h3-4H,1H2;1H2/t4-;/m1./s1",71.94893,84.57231,
7028,[C:1]([C:2]#[C:3][C:4]([C:5]([O:6][H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]/[C:3](=[C:4](/[C:5]([O:6][H:14])([H:12])[H:13])[H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-2-3-4-5-6/h6H,4-5H2,1H3","InChI=1S/C5H8O/c1-2-3-4-5-6/h3-4,6H,5H2,1H3/b4-3+",69.38949000000001,57.349180000000004,
7029,[C:1]([C:2]#[C:3][C:4]([C:5]([O:6][H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](=[C-:3][C:4]([C+:5]([O:6][H:14])[H:12])([H:10])[H:11])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-2-3-4-5-6/h6H,4-5H2,1H3","InChI=1S/C5H8O/c1-2-3-4-5-6/h2,5-6H,4H2,1H3",67.32053,59.1532,
7030,[C:1]([C:2]#[C:3][C:4]([C:5]([O:6][H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3])[C:4]([C:5]([O:6][H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-2-3-4-5-6/h6H,4-5H2,1H3","InChI=1S/C5H8O/c1-5(2)3-4-6/h6H,3-4H2,1H3",56.02896,56.986180000000004,
7031,[C:1]([C:2]#[C:3][C:4]([C:5]([O:6][H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]=[C:3]=[C:4]([H:10])[H:11])([H:8])[H:9].[C:5]([O:6][H:14])([H:7])([H:12])[H:13],"InChI=1S/C5H8O/c1-2-3-4-5-6/h6H,4-5H2,1H3","InChI=1S/C4H4.CH4O/c1-3-4-2;1-2/h1-2H2;2H,1H3",81.93307,29.26825,
7032,[C:1]([C:2]#[C:3][C:4]([C:5]([O:6][H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]#[C:3][O:6][H:14])([H:7])([H:8])[H:9].[C:4](=[C:5]([H:12])[H:13])([H:10])[H:11],"InChI=1S/C5H8O/c1-2-3-4-5-6/h6H,4-5H2,1H3","InChI=1S/C3H4O.C2H4/c1-2-3-4;1-2/h4H,1H3;1-2H2",71.51396,30.52955,
7033,[C:1]([C:2]#[C:3][C:4]([C:5]([O:6][H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](/[C:2](=[C:3]1\[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[O:6]1)[H:14])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-2-3-4-5-6/h6H,4-5H2,1H3","InChI=1S/C5H8O/c1-2-5-3-4-6-5/h2H,3-4H2,1H3/b5-2+",67.37355,-4.070130000000001,
7034,[C:1]([C:2]#[C:3][C:4]([C:5]([O:6][H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]=[C:4]([H:10])[H:11])[H:14])([H:7])([H:8])[H:9].[C:5](=[O:6])([H:12])[H:13],"InChI=1S/C5H8O/c1-2-3-4-5-6/h6H,4-5H2,1H3","InChI=1S/C4H6.CH2O/c1-3-4-2;1-2/h4H,1H2,2H3;1H2",28.3452,16.85868,Retroene
7035,[C:1]([C:2]#[C:3][C:4]([C:5]([O:6][H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]=[C:3]=[C:4]([C:5]([O:6][H:14])([H:12])[H:13])[H:11])([H:8])[H:9].[H:7][H:10],"InChI=1S/C5H8O/c1-2-3-4-5-6/h6H,4-5H2,1H3","InChI=1S/C5H6O.H2/c1-2-3-4-5-6;/h4,6H,1,5H2;1H",68.5486,33.4883,
7036,[C:1]([C:2]#[C:3][C:4]([C:5]([O:6][H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]=[C:4]([C:5]([O:6][H:14])([H:12])[H:13])[H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-2-3-4-5-6/h6H,4-5H2,1H3","InChI=1S/C5H8O/c1-2-3-4-5-6/h2,4,6H,5H2,1H3",81.49856,-0.6504,
7037,[C:1]([C:2]#[C:3][C:4]([C:5]([O:6][H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]1[C:4]([H:10])([H:11])[C:5]1([H:12])[H:13])[O:6][H:14])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-2-3-4-5-6/h6H,4-5H2,1H3","InChI=1S/C5H8O/c1-4(6)5-2-3-5/h6H,2-3H2,1H3",66.19634,-0.8900100000000001,
7038,[C:1]([C:2]#[C:3][C:4]([C:5]([O:6][H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]=[C:3]([C:4]([C:5]([O:6][H:14])([H:12])[H:13])([H:10])[H:11])[H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-2-3-4-5-6/h6H,4-5H2,1H3","InChI=1S/C5H8O/c1-2-3-4-5-6/h3,6H,1,4-5H2",73.79738,0.21796999999999997,
7039,[C:1]([C:2]#[C:3][C:4]([C:5]([O:6][H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]#[C:3][C:4](=[C:5]([H:12])[H:13])[H:11])([H:7])([H:8])[H:9].[O:6]([H:10])[H:14],"InChI=1S/C5H8O/c1-2-3-4-5-6/h6H,4-5H2,1H3","InChI=1S/C5H6.H2O/c1-3-5-4-2;/h3H,1H2,2H3;1H2",56.786880000000004,9.00952,"1,3_Insertion_ROR"
7040,[C:1]([N:2]([C:3]([H:10])([H:11])[H:12])[C:4](=[O:5])[N:6]([H:13])[H:14])([H:7])([H:8])[H:9],[C:1](/[N:2]=[C:4](/[O:5][C:3]([H:10])([H:11])[H:12])[N:6]([H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C3H8N2O/c1-5(2)3(4)6/h1-2H3,(H2,4,6)","InChI=1S/C3H8N2O/c1-5-3(4)6-2/h1-2H3,(H2,4,5)",64.42925,17.93218,ketoenol
7041,[C:1]([N:2]([C:3]([H:10])([H:11])[H:12])[C:4](=[O:5])[N:6]([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:14].[N:2]1([C:3]([H:10])([H:11])[H:12])/[C:4](=[N:6]/[H:13])[O:5]1,"InChI=1S/C3H8N2O/c1-5(2)3(4)6/h1-2H3,(H2,4,6)","InChI=1S/C2H4N2O.CH4/c1-4-2(3)5-4;/h3H,1H3;1H4/b3-2-;",99.74192,76.00134,
7042,[C:1]([N:2]([C:3]([H:10])([H:11])[H:12])[C:4](=[O:5])[N:6]([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]([N:2]([C:3]([H:10])([H:11])[H:12])/[C:4]([O:5][H:13])=[N:6]\[H:14])([H:7])([H:8])[H:9],"InChI=1S/C3H8N2O/c1-5(2)3(4)6/h1-2H3,(H2,4,6)","InChI=1S/C3H8N2O/c1-5(2)3(4)6/h1-2H3,(H2,4,6)",39.58243,12.36032,ketoenol
7043,[C:1]([N:2]([C:3]([H:10])([H:11])[H:12])[C:4](=[O:5])[N:6]([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]([N:2]=[C:3]([H:10])[H:11])([H:7])([H:8])[H:9].[C:4](=[O:5])=[N:6][H:13].[H:12][H:14],"InChI=1S/C3H8N2O/c1-5(2)3(4)6/h1-2H3,(H2,4,6)","InChI=1S/C2H5N.CHNO.H2/c1-3-2;2-1-3;/h1H2,2H3;2H;1H",59.35963,40.7827,
7044,[C:1]([N:2]([C:3]([H:10])([H:11])[H:12])[C:4](=[O:5])[N:6]([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]([N:2]([C:3]([H:10])([H:11])[H:12])[H:14])([H:7])([H:8])[H:9].[C:4](=[O:5])=[N:6][H:13],"InChI=1S/C3H8N2O/c1-5(2)3(4)6/h1-2H3,(H2,4,6)","InChI=1S/C2H7N.CHNO/c1-3-2;2-1-3/h3H,1-2H3;2H",36.74109,18.14247,
7045,[C:1]([N:2]([C:3]([H:10])([H:11])[H:12])[C:4](=[O:5])[N:6]([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]([N:2]=[C:4]=[O:5])([H:7])([H:8])[H:9].[C:3]([N:6]([H:13])[H:14])([H:10])([H:11])[H:12],"InChI=1S/C3H8N2O/c1-5(2)3(4)6/h1-2H3,(H2,4,6)","InChI=1S/C2H3NO.CH5N/c1-3-2-4;1-2/h1H3;2H2,1H3",77.2902,18.68893,
7046,[N:1]([c:2]1[c:3]([H:9])[c:4]([H:10])[n:5][n:6]1[H:11])([H:7])[H:8],[N:1]([C:2]1=[N+:5]([N-:6][H:11])[C:4]([H:10])=[C:3]1[H:9])([H:7])[H:8],"InChI=1S/C3H5N3/c4-3-1-2-5-6-3/h1-2H,(H3,4,5,6)","InChI=1S/C3H5N3/c4-3-1-2-6(3)5/h1-2,5H,4H2",100.23509,88.56185,
7047,[N:1]([c:2]1[c:3]([H:9])[c:4]([H:10])[n:5][n:6]1[H:11])([H:7])[H:8],[N:1]([C:2]([C:3](=[C:4]=[N:5][H:10])[H:9])=[N:6][H:11])([H:7])[H:8],"InChI=1S/C3H5N3/c4-3-1-2-5-6-3/h1-2H,(H3,4,5,6)","InChI=1S/C3H5N3/c4-2-1-3(5)6/h1,4H,(H3,5,6)",74.47459,7.8928199999999995,
7048,[N:1]([c:2]1[c:3]([H:9])[c:4]([H:10])[n:5][n:6]1[H:11])([H:7])[H:8],[N:1]([c:2]1[c:3]([H:9])[c:4]([H:10])[n:5]([H:11])[n:6]1)([H:7])[H:8],"InChI=1S/C3H5N3/c4-3-1-2-5-6-3/h1-2H,(H3,4,5,6)","InChI=1S/C3H5N3/c4-3-1-2-5-6-3/h1-2H,(H3,4,5,6)",40.84742,-2.12134,
7049,[N:1]([c:2]1[c:3]([H:9])[c:4]([H:10])[n:5][n:6]1[H:11])([H:7])[H:8],[N:1](=[C:2]1[C:3]([H:9])=[C:4]([H:10])[N-:5][N+:6]1([H:8])[H:11])[H:7],"InChI=1S/C3H5N3/c4-3-1-2-5-6-3/h1-2H,(H3,4,5,6)","InChI=1S/C3H5N3/c4-3-1-2-5-6-3/h1-2,4H,6H2",65.92693,35.03935,
7050,[N:1]([c:2]1[c:3]([H:9])[c:4]([H:10])[n:5][n:6]1[H:11])([H:7])[H:8],[N:1]([C@@:2]1([H:11])[C:3]([H:9])=[C:4]([H:10])[N:5]=[N:6]1)([H:7])[H:8],"InChI=1S/C3H5N3/c4-3-1-2-5-6-3/h1-2H,(H3,4,5,6)","InChI=1S/C3H5N3/c4-3-1-2-5-6-3/h1-3H,4H2/t3-/m1/s1",49.45657,37.85028,
7051,[N:1]([c:2]1[c:3]([H:9])[c:4]([H:10])[n:5][n:6]1[H:11])([H:7])[H:8],[N:1]([c+:2]1[c:3]([H:9])[c-:4][n:5]([H:10])[n:6]1[H:11])([H:7])[H:8],"InChI=1S/C3H5N3/c4-3-1-2-5-6-3/h1-2H,(H3,4,5,6)","InChI=1S/C3H5N3/c4-3-1-2-5-6-3/h1,5-6H,4H2",73.33702,51.131879999999995,
7052,[N:1]([c:2]1[c:3]([H:9])[c:4]([H:10])[n:5][n:6]1[H:11])([H:7])[H:8],[N:1]([C:2]([C:3]([C:4]#[N:5])([H:9])[H:10])=[N:6][H:11])([H:7])[H:8],"InChI=1S/C3H5N3/c4-3-1-2-5-6-3/h1-2H,(H3,4,5,6)","InChI=1S/C3H5N3/c4-2-1-3(5)6/h1H2,(H3,5,6)",71.77816,-5.6077,
7053,[N:1]([c:2]1[c:3]([H:9])[c:4]([H:10])[n:5][n:6]1[H:11])([H:7])[H:8],[N:1](=[C:2]1/[C:3]([H:8])([H:9])[C:4]([H:10])=[N:5][N:6]1[H:11])\[H:7],"InChI=1S/C3H5N3/c4-3-1-2-5-6-3/h1-2H,(H3,4,5,6)","InChI=1S/C3H5N3/c4-3-1-2-5-6-3/h2H,1H2,(H2,4,6)",70.87656,12.07018,
7054,[N:1]([c:2]1[c:3]([H:9])[c:4]([H:10])[n:5][n:6]1[H:11])([H:7])[H:8],[N:1](=[c:2]1\[c:3]([H:9])[c:4]([H:10])[n:5]([H:8])[n:6]1[H:11])\[H:7],"InChI=1S/C3H5N3/c4-3-1-2-5-6-3/h1-2H,(H3,4,5,6)","InChI=1S/C3H5N3/c4-3-1-2-5-6-3/h1-2H,(H3,4,5,6)",99.65899,17.429570000000002,
7055,[N:1]([c:2]1[c:3]([H:9])[c:4]([H:10])[n:5][n:6]1[H:11])([H:7])[H:8],[N:1]([C:2]1=[C+:3][C:4]([H:9])([H:10])[N-:5][N:6]1[H:11])([H:7])[H:8],"InChI=1S/C3H5N3/c4-3-1-2-5-6-3/h1-2H,(H3,4,5,6)","InChI=1S/C3H5N3/c4-3-1-2-5-6-3/h6H,2,4H2",77.44797,76.6756,
7056,[N:1]([c:2]1[c:3]([H:9])[c:4]([H:10])[n:5][n:6]1[H:11])([H:7])[H:8],[N:1]([C@:2]1([H:9])[C+:3]=[C:4]([H:10])[N-:5][N:6]1[H:11])([H:7])[H:8],"InChI=1S/C3H5N3/c4-3-1-2-5-6-3/h1-2H,(H3,4,5,6)","InChI=1S/C3H5N3/c4-3-1-2-5-6-3/h2-3,6H,4H2/t3-/m0/s1",78.65992,79.63157,Singlet_Carbene_Intra_Disproportionation
7057,[N:1]([c:2]1[c:3]([H:9])[c:4]([H:10])[n:5][n:6]1[H:11])([H:7])[H:8],[N:1]([C:2]1=[C:3]([H:9])[C@:4]1(/[N:5]=[N:6]/[H:11])[H:10])([H:7])[H:8],"InChI=1S/C3H5N3/c4-3-1-2-5-6-3/h1-2H,(H3,4,5,6)","InChI=1S/C3H5N3/c4-2-1-3(2)6-5/h1,3,5H,4H2/b6-5+/t3-/m1/s1",86.92397,72.57536,
7058,[N:1]([c:2]1[c:3]([H:9])[c:4]([H:10])[n:5][n:6]1[H:11])([H:7])[H:8],[N:1]([C:2]([C@@:3]1([H:9])[C:4]([H:10])=[N:5]1)=[N:6][H:11])([H:7])[H:8],"InChI=1S/C3H5N3/c4-3-1-2-5-6-3/h1-2H,(H3,4,5,6)","InChI=1S/C3H5N3/c4-3(5)2-1-6-2/h1-2H,(H3,4,5)/t2-/m1/s1",72.26414,32.42967,
7059,[N:1]([c:2]1[c:3]([H:9])[c:4]([H:10])[n:5][n:6]1[H:11])([H:7])[H:8],[N+:1]([c:2]1[c:3]([H:9])[c:4]([H:10])[n-:5][n:6]1)([H:7])([H:8])[H:11],"InChI=1S/C3H5N3/c4-3-1-2-5-6-3/h1-2H,(H3,4,5,6)","InChI=1S/C3H4N3/c4-3-1-2-5-6-3/h1-2H,(H2-,4,5,6)/q-1/p+1",49.41166,40.08876,
7060,[N:1]([c:2]1[c:3]([H:9])[c:4]([H:10])[n:5][n:6]1[H:11])([H:7])[H:8],[C:3](#[C:4][H:10])[H:9].[N:1]([C+:2][N:6]([N-:5])[H:11])([H:7])[H:8],"InChI=1S/C3H5N3/c4-3-1-2-5-6-3/h1-2H,(H3,4,5,6)","InChI=1S/C2H2.CH3N3/c1-2;2-1-4-3/h1-2H;4H,2H2",141.35353,133.57693999999998,
7061,[N:1]([c:2]1[c:3]([H:9])[c:4]([H:10])[n:5][n:6]1[H:11])([H:7])[H:8],[N:1]([C:2](=[C:3]=[C:4](/[N:5]=[N:6]/[H:11])[H:10])[H:9])([H:7])[H:8],"InChI=1S/C3H5N3/c4-3-1-2-5-6-3/h1-2H,(H3,4,5,6)","InChI=1S/C3H5N3/c4-2-1-3-6-5/h2-3,5H,4H2/b6-5+",78.67627,60.812740000000005,
7062,[N:1]([c:2]1[c:3]([H:9])[c:4]([H:10])[n:5][n:6]1[H:11])([H:7])[H:8],[N:1]([C:2](=[C:3]([H:9])[H:10])[N:6]([N+:5]#[C-:4])[H:11])([H:7])[H:8],"InChI=1S/C3H5N3/c4-3-1-2-5-6-3/h1-2H,(H3,4,5,6)","InChI=1S/C3H5N3/c1-3(4)6-5-2/h6H,1,4H2",79.84813,55.008309999999994,
7063,[C:1]([C@@:2]1([H:10])[O:3][C:4]1([C:5]([H:11])([H:12])[H:13])[C:6]([H:14])([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([C-:2]=[O+:3][C:4]([C:5]([H:11])([H:12])[H:13])([C:6]([H:14])([H:15])[H:16])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-4-5(2,3)6-4/h4H,1-3H3/t4-/m1/s1","InChI=1S/C5H10O/c1-4-6-5(2)3/h5H,1-3H3",72.22861,41.19178,
7064,[C:1]([C@@:2]1([H:10])[O:3][C:4]1([C:5]([H:11])([H:12])[H:13])[C:6]([H:14])([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([C@@:2]([O:3][C:5]([H:11])([H:12])[H:13])([C:4][C:6]([H:14])([H:15])[H:16])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-4-5(2,3)6-4/h4H,1-3H3/t4-/m1/s1","InChI=1S/C5H10O/c1-4-5(2)6-3/h5H,1-3H3/t5-/m1/s1",102.40919,82.43051,
7065,[C:1]([C@@:2]1([H:10])[O:3][C:4]1([C:5]([H:11])([H:12])[H:13])[C:6]([H:14])([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[O:3][C:4]1=[C:5]([H:11])[H:12])([H:7])([H:8])[H:9].[C:6]([H:13])([H:14])([H:15])[H:16],"InChI=1S/C5H10O/c1-4-5(2,3)6-4/h4H,1-3H3/t4-/m1/s1","InChI=1S/C4H6O.CH4/c1-3-4(2)5-3;/h4H,1H2,2H3;1H4/t4-;/m1./s1",111.9628,23.56014,
7066,[C:1]([C@@:2]1([H:10])[O:3][C:4]1([C:5]([H:11])([H:12])[H:13])[C:6]([H:14])([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([C:2](=[O:3])[H:10])([H:7])([H:8])[H:9].[C:4](=[C:5]([H:11])[H:12])([C:6]([H:14])([H:15])[H:16])[H:13],"InChI=1S/C5H10O/c1-4-5(2,3)6-4/h4H,1-3H3/t4-/m1/s1","InChI=1S/C3H6.C2H4O/c1-3-2;1-2-3/h3H,1H2,2H3;2H,1H3",71.70541999999999,5.13145,
7067,[C:1]([C@@:2]1([H:10])[O:3][C:4]1([C:5]([H:11])([H:12])[H:13])[C:6]([H:14])([H:15])[H:16])([H:7])([H:8])[H:9],[C:1](=[C:2]([H:8])[H:10])([H:7])[H:9].[O:3]=[C:4]([C:5]([H:11])([H:12])[H:13])[C:6]([H:14])([H:15])[H:16],"InChI=1S/C5H10O/c1-4-5(2,3)6-4/h4H,1-3H3/t4-/m1/s1",InChI=1S/C3H6O.C2H4/c1-3(2)4;1-2/h1-2H3;1-2H2,67.95786,0.82589,
7068,[C:1]([C:2]1=[C:3]([H:10])[C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]([C:2]/[C:3](=[C:4](\[O:5][C:6]([H:12])([H:13])[H:14])[H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-5-2-3-6-4-5/h2H,3-4H2,1H3","InChI=1S/C5H8O/c1-3-4-5-6-2/h4-5H,1-2H3/b5-4-",121.19503,70.8066,
7069,[C:1]([C:2]1=[C:3]([H:10])[C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]([C:6]([O:5][C:4]([C:3](=[C:2])[H:10])([H:11])[H:12])([H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-5-2-3-6-4-5/h2H,3-4H2,1H3","InChI=1S/C5H8O/c1-3-5-6-4-2/h3H,4-5H2,2H3",120.46413999999999,84.7391,
7070,[C:1]([C:2]1=[C:3]([H:10])[C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]([C:2]1=[C:3]([H:10])[C:4]([H:11])([H:12])[O+:5]=[C-:6]1)([H:7])([H:8])[H:9].[H:13][H:14],"InChI=1S/C5H8O/c1-5-2-3-6-4-5/h2H,3-4H2,1H3","InChI=1S/C5H6O.H2/c1-5-2-3-6-4-5;/h2H,3H2,1H3;1H",67.52104,60.811119999999995,
7071,[C:1]([C:2]1=[C:3]([H:10])[C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]([C:2]1=[C:3]=[C:4]([H:12])[O:5][C:6]1([H:13])[H:14])([H:7])([H:8])[H:9].[H:10][H:11],"InChI=1S/C5H8O/c1-5-2-3-6-4-5/h2H,3-4H2,1H3","InChI=1S/C5H6O.H2/c1-5-2-3-6-4-5;/h3H,4H2,1H3;1H",82.78798,69.09295,
7072,[C:1]([C:2]1=[C:3]([H:10])[C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]([C-:2]1[C:3]([H:10])([H:11])[C:4]([H:12])=[O+:5][C:6]1([H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-5-2-3-6-4-5/h2H,3-4H2,1H3","InChI=1S/C5H8O/c1-5-2-3-6-4-5/h3H,2,4H2,1H3",69.71392,56.77016,
7073,[C:1]([C:2]1=[C:3]([H:10])[C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]([C:2]1=[C:6]([H:13])[O:5][C:4]([H:11])([H:12])[C:3]1([H:10])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-5-2-3-6-4-5/h2H,3-4H2,1H3","InChI=1S/C5H8O/c1-5-2-3-6-4-5/h4H,2-3H2,1H3",70.5369,-3.09472,
7074,[C:1]([C:2]1=[C:3]([H:10])[C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]([C:2]#[C:3][C:4]([H:10])([H:11])[H:12])([H:7])([H:8])[H:9].[O:5]=[C:6]([H:13])[H:14],"InChI=1S/C5H8O/c1-5-2-3-6-4-5/h2H,3-4H2,1H3",InChI=1S/C4H6.CH2O/c1-3-4-2;1-2/h1-2H3;1H2,92.01971999999999,32.86388,
7075,[C:1]([C:2]1=[C:3]([H:10])[C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14])([H:7])([H:8])[H:9],[C:1](=[C:2]1[C:3]([H:8])([H:10])[C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14])([H:7])[H:9],"InChI=1S/C5H8O/c1-5-2-3-6-4-5/h2H,3-4H2,1H3",InChI=1S/C5H8O/c1-5-2-3-6-4-5/h1-4H2,73.90612,3.55291,
7076,[C:1]([C:2]1=[C:3]([H:10])[C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]([C:2]([C@@:3]1([H:10])[C:4]([H:11])([H:12])[O:5]1)=[C:6]([H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-5-2-3-6-4-5/h2H,3-4H2,1H3","InChI=1S/C5H8O/c1-4(2)5-3-6-5/h5H,1,3H2,2H3/t5-/m1/s1",67.84971999999999,17.51624,
7077,[C:1]([C:2]1=[C:3]([H:10])[C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]([C-:2]1[C:3]([H:10])=[C:4]=[O+:5][C:6]1([H:13])[H:14])([H:7])([H:8])[H:9].[H:11][H:12],"InChI=1S/C5H8O/c1-5-2-3-6-4-5/h2H,3-4H2,1H3","InChI=1S/C5H6O.H2/c1-5-2-3-6-4-5;/h2H,4H2,1H3;1H",67.50085,60.32055,
7078,[C:1]([C:2]1=[C:3]([H:10])[C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3][C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-5-2-3-6-4-5/h2H,3-4H2,1H3","InChI=1S/C5H8O/c1-5-2-3-6-4-5/h5H,3-4H2,1H3/t5-/m0/s1",66.59835,70.68893,Singlet_Carbene_Intra_Disproportionation
7079,[C:1]([C:2]1=[C:3]([H:10])[C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14])([H:7])([H:8])[H:9],[C:1](=[C:2]1[C:3]([H:10])=[C:4]([H:11])[O:5][C:6]1([H:13])[H:14])([H:8])[H:9].[H:7][H:12],"InChI=1S/C5H8O/c1-5-2-3-6-4-5/h2H,3-4H2,1H3","InChI=1S/C5H6O.H2/c1-5-2-3-6-4-5;/h2-3H,1,4H2;1H",73.74126,21.14291,
7080,[C:1]([C:2]1=[C:3]([H:10])[C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14])([H:7])([H:8])[H:9],[C:1](/[C:2]([C:3][H:10])=[C:6](/[O:5][C:4]([H:11])([H:12])[H:14])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-5-2-3-6-4-5/h2H,3-4H2,1H3","InChI=1S/C5H8O/c1-5(2)4-6-3/h1,4H,2-3H3/b5-4+",125.44251000000001,76.956,
7081,[C:1]([C:2]1=[C:3]([H:10])[C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14])([H:7])([H:8])[H:9],[C:1](/[C:2](=[C:3](/[C:4][H:11])[H:10])[C:6]([O:5][H:12])([H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-5-2-3-6-4-5/h2H,3-4H2,1H3","InChI=1S/C5H8O/c1-3-5(2)4-6/h1,3,6H,4H2,2H3/b5-3-",72.33189,70.86114,
7082,[C:1]([C:2]([C@@:3]([O:4][H:13])([C:5]#[C:6][H:14])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C@:2]1([H:11])[C@:3]([O:4][H:13])([H:12])[C:5][C:6]1([H:10])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-3-5(6)4-2/h1,5-6H,4H2,2H3/t5-/m0/s1","InChI=1S/C5H8O/c1-4-2-3-5(4)6/h4-6H,2H2,1H3/t4-,5-/m0/s1",86.52362,66.66761,
7083,[C:1]([C:2]([C@@:3]([O:4][H:13])([C:5]#[C:6][H:14])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3](=[C:5]=[C:6]([O:4][H:13])[H:14])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-3-5(6)4-2/h1,5-6H,4H2,2H3/t5-/m0/s1","InChI=1S/C5H8O/c1-2-3-4-5-6/h3,5-6H,2H2,1H3",57.401540000000004,-5.6998,
7084,[C:1]([C:2]([C@@:3]([O:4][H:13])([C:5]#[C:6][H:14])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([O:4][H:13])=[C:5]=[C:6]([H:12])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-3-5(6)4-2/h1,5-6H,4H2,2H3/t5-/m0/s1","InChI=1S/C5H8O/c1-3-5(6)4-2/h6H,1,4H2,2H3",67.74543,-11.65569,
7085,[C:1]([C:2]([C@@:3]([O:4][H:13])([C:5]#[C:6][H:14])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C@@:3]([O:4][H:13])([C:6](=[C:5])[H:14])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-3-5(6)4-2/h1,5-6H,4H2,2H3/t5-/m0/s1","InChI=1S/C5H8O/c1-3-5(6)4-2/h4-6H,3H2,1H3/t5-/m1/s1",55.60321,49.27282,Singlet_Carbene_Intra_Disproportionation
7086,[C:1]([C:2]([C@@:3]([O:4][H:13])([C:5]#[C:6][H:14])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C@@:3]1([H:12])[O:4][C:6]([H:13])([H:14])[C:5]1)([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-3-5(6)4-2/h1,5-6H,4H2,2H3/t5-/m0/s1","InChI=1S/C5H8O/c1-2-5-3-4-6-5/h5H,2,4H2,1H3/t5-/m1/s1",88.57863,69.59425,
7087,[C:1]([C:2]([C@@:3]([O:4][H:13])([C:5]#[C:6][H:14])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C@@:3]1([H:12])[C:5]([O:4][H:13])=[C:6]1[H:14])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-3-5(6)4-2/h1,5-6H,4H2,2H3/t5-/m0/s1","InChI=1S/C5H8O/c1-2-4-3-5(4)6/h3-4,6H,2H2,1H3/t4-/m1/s1",68.09013,9.983139999999999,
7088,[C:1]([C:2]([C@@:3]([O:4][H:13])([C:5]#[C:6][H:14])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](/[C:5](=[C:3](\[O:4][H:13])[H:12])[C:6][H:14])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-3-5(6)4-2/h1,5-6H,4H2,2H3/t5-/m0/s1","InChI=1S/C5H8O/c1-3-5(2)4-6/h2,4,6H,3H2,1H3/b5-4-",63.445080000000004,40.73063,
7089,[C:1]([C:2]([C@@:3]([O:4][H:13])([C:5]#[C:6][H:14])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]([H:10])[H:11])([H:8])[H:9].[C:3]([O:4][H:13])(=[C:5]=[C:6]([H:7])[H:14])[H:12],"InChI=1S/C5H8O/c1-3-5(6)4-2/h1,5-6H,4H2,2H3/t5-/m0/s1","InChI=1S/C3H4O.C2H4/c1-2-3-4;1-2/h3-4H,1H2;1-2H2",39.28457,16.233,Retroene
7090,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([O:4][C:5](=[O:6])[H:14])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([O+:4]=[C-:5][O:6][H:14])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-4(2)6-3-5/h3-4H,1-2H3","InChI=1S/C4H8O2/c1-4(2)6-3-5/h4-5H,1-2H3",75.41108,44.64349,
7091,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([O:4][C:5](=[O:6])[H:14])[H:10])([H:7])([H:8])[H:9],[C:1]([O:6][C:5](=[O+:4][C-:2]([C:3]([H:11])([H:12])[H:13])[H:10])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-4(2)6-3-5/h3-4H,1-2H3","InChI=1S/C4H8O2/c1-3-6-4-5-2/h3-4H,1-2H3",93.80678,85.1923,
7092,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([O:4][C:5](=[O:6])[H:14])[H:10])([H:7])([H:8])[H:9],[C:1]([C:3]([C:2](=[O:4])[H:10])([H:11])[H:13])([H:7])([H:8])[H:9].[C:5](=[O:6])([H:12])[H:14],"InChI=1S/C4H8O2/c1-4(2)6-3-5/h3-4H,1-2H3","InChI=1S/C3H6O.CH2O/c1-2-3-4;1-2/h3H,2H2,1H3;1H2",99.09834000000001,33.32987,
7093,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([O:4][C:5](=[O:6])[H:14])[H:10])([H:7])([H:8])[H:9],[C-:5]#[O+:6].[C:1]([H:7])([H:8])([H:9])[H:14].[C:2]([C:3]([H:11])([H:12])[H:13])(=[O:4])[H:10],"InChI=1S/C4H8O2/c1-4(2)6-3-5/h3-4H,1-2H3","InChI=1S/C2H4O.CO.CH4/c1-2-3;1-2;/h2H,1H3;;1H4",72.33991,19.09508,
7094,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([O:4][C:5](=[O:6])[H:14])[H:10])([H:7])([H:8])[H:9],[C:1]([C@:2]1([H:10])[C:3]([H:11])([H:13])[O:4]1)([H:7])([H:8])[H:9].[C:5](=[O:6])([H:12])[H:14],"InChI=1S/C4H8O2/c1-4(2)6-3-5/h3-4H,1-2H3","InChI=1S/C3H6O.CH2O/c1-3-2-4-3;1-2/h3H,2H2,1H3;1H2/t3-;/m1./s1",98.08909,55.24185,
7095,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([O:4][C:5](=[O:6])[H:14])[H:10])([H:7])([H:8])[H:9],[C:1]([C@:2]1([H:10])[C:3]([H:11])([H:13])[C@:5]([O:6][H:12])([H:14])[O:4]1)([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-4(2)6-3-5/h3-4H,1-2H3","InChI=1S/C4H8O2/c1-3-2-4(5)6-3/h3-5H,2H2,1H3/t3-,4+/m1/s1",91.04954000000001,24.83454,
7096,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([O:4][C:5](=[O:6])[H:14])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]([H:11])[H:13])[O:4][C:5](=[O:6])[H:14])([H:7])([H:8])[H:9].[H:10][H:12],"InChI=1S/C4H8O2/c1-4(2)6-3-5/h3-4H,1-2H3","InChI=1S/C4H6O2.H2/c1-4(2)6-3-5;/h3H,1H2,2H3;1H",110.60813999999999,31.07736,
7097,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([O:4][C:5](=[O:6])[H:14])[H:10])([H:7])([H:8])[H:9],[C-:5]#[O+:6].[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([O:4][H:14])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-4(2)6-3-5/h3-4H,1-2H3","InChI=1S/C3H8O.CO/c1-3(2)4;1-2/h3-4H,1-2H3;",63.87353,12.21337,"1,2_Insertion_CO"
7098,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([O:4][C:5](=[O:6])[H:14])[H:10])([H:7])([H:8])[H:9],[C:1](=[C:2]([C:3]([H:11])([H:12])[H:13])[H:10])([H:8])[H:9].[O:4]=[C:5]([O:6][H:7])[H:14],"InChI=1S/C4H8O2/c1-4(2)6-3-5/h3-4H,1-2H3","InChI=1S/C3H6.CH2O2/c1-3-2;2-1-3/h3H,1H2,2H3;1H,(H,2,3)",36.592859999999995,14.09901,Retroene
7099,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([O:4][C:5](=[O:6])[H:14])[H:10])([H:7])([H:8])[H:9],[C-:5]#[O+:6].[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])=[O:4])([H:7])([H:8])[H:9].[H:10][H:14],"InChI=1S/C4H8O2/c1-4(2)6-3-5/h3-4H,1-2H3",InChI=1S/C3H6O.CO.H2/c1-3(2)4;1-2;/h1-2H3;;1H,59.21726999999999,25.816670000000002,
7100,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([O:4][C:5](=[O:6])[H:14])[H:10])([H:7])([H:8])[H:9],[C-:2]([C:3]([H:11])([H:12])[H:13])=[O+:4][C:5](=[O:6])[H:14].[C:1]([H:7])([H:8])([H:9])[H:10],"InChI=1S/C4H8O2/c1-4(2)6-3-5/h3-4H,1-2H3","InChI=1S/C3H4O2.CH4/c1-2-5-3-4;/h3H,1H3;1H4",79.50763,76.84033000000001,
7101,[C:1]([C:2]([C:3]([O:4][H:13])([H:11])[H:12])([C:5]([O:6][H:16])([H:14])[H:15])[H:10])([H:7])([H:8])[H:9],[C:1]([C@:2]([C:3]([O:4][H:13])([H:11])[H:12])([C:5][H:15])[H:10])([H:7])([H:8])[H:9].[O:6]([H:14])[H:16],"InChI=1S/C4H10O2/c1-4(2-5)3-6/h4-6H,2-3H2,1H3","InChI=1S/C4H8O.H2O/c1-4(2)3-5;/h1,4-5H,3H2,2H3;1H2/t4-;/m1./s1",77.40701999999999,98.0787,
7102,[C:1]([C:2]([C:3]([O:4][H:13])([H:11])[H:12])([C:5]([O:6][H:16])([H:14])[H:15])[H:10])([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:12].[C:2](=[C:3](/[O:4][H:13])[H:11])(\[C:5]([O:6][H:16])([H:14])[H:15])[H:10],"InChI=1S/C4H10O2/c1-4(2-5)3-6/h4-6H,2-3H2,1H3","InChI=1S/C3H6O2.CH4/c4-2-1-3-5;/h1-2,4-5H,3H2;1H4/b2-1+;",96.49226999999999,14.439979999999998,
7103,[C:1]([C:2]([C:3]([O:4][H:13])([H:11])[H:12])([C:5]([O:6][H:16])([H:14])[H:15])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]([H:11])[H:12])[H:10])([H:7])([H:8])[H:9].[C:5](=[O:6])([H:14])[H:15].[O:4]([H:13])[H:16],"InChI=1S/C4H10O2/c1-4(2-5)3-6/h4-6H,2-3H2,1H3","InChI=1S/C3H6.CH2O.H2O/c1-3-2;1-2;/h3H,1H2,2H3;1H2;1H2",45.822790000000005,29.312,
7104,[C:1]([C:2]([C:3]([O:4][H:13])([H:11])[H:12])([C:5]([O:6][H:16])([H:14])[H:15])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]([H:11])[H:12])[C:5]([O:6][H:16])([H:14])[H:15])([H:7])([H:8])[H:9].[O:4]([H:10])[H:13],"InChI=1S/C4H10O2/c1-4(2-5)3-6/h4-6H,2-3H2,1H3","InChI=1S/C4H8O.H2O/c1-4(2)3-5;/h5H,1,3H2,2H3;1H2",61.40108000000001,10.36717,"1,3_Insertion_ROR"
7105,[C:1]([C:2]([C:3]([O:4][H:13])([H:11])[H:12])([C:5]([O:6][H:16])([H:14])[H:15])[H:10])([H:7])([H:8])[H:9],[C:1](/[C:2](=[C:3](/[O:4][H:13])[H:11])[H:10])([H:7])([H:8])[H:9].[C:5](=[O:6])([H:14])[H:15].[H:12][H:16],"InChI=1S/C4H10O2/c1-4(2-5)3-6/h4-6H,2-3H2,1H3","InChI=1S/C3H6O.CH2O.H2/c1-2-3-4;1-2;/h2-4H,1H3;1H2;1H/b3-2+;;",63.50484,44.02248,
7106,[C:1]([C:2]([C:3]([O:4][H:13])([H:11])[H:12])([C:5]([O:6][H:16])([H:14])[H:15])[H:10])([H:7])([H:8])[H:9],[C:1]([C@:2]([C:3](=[O:4])[H:11])([C:5]([O:6][H:16])([H:14])[H:15])[H:10])([H:7])([H:8])[H:9].[H:12][H:13],"InChI=1S/C4H10O2/c1-4(2-5)3-6/h4-6H,2-3H2,1H3","InChI=1S/C4H8O2.H2/c1-4(2-5)3-6;/h2,4,6H,3H2,1H3;1H/t4-;/m1./s1",76.16946,17.27655,
7107,[C:1]([C:2]([C:3]([O:4][H:13])([H:11])[H:12])([C:5]([O:6][H:16])([H:14])[H:15])[H:10])([H:7])([H:8])[H:9],[C:1]([C:3]([C@@:2]1([H:10])[C:5]([H:14])([H:15])[O:6]1)([H:11])[H:12])([H:7])([H:8])[H:9].[O:4]([H:13])[H:16],"InChI=1S/C4H10O2/c1-4(2-5)3-6/h4-6H,2-3H2,1H3","InChI=1S/C4H8O.H2O/c1-2-4-3-5-4;/h4H,2-3H2,1H3;1H2/t4-;/m0./s1",76.11209000000001,23.658920000000002,
7108,[C:1]([C:2]([C:3]([O:4][H:13])([H:11])[H:12])([C:5]([O:6][H:16])([H:14])[H:15])[H:10])([H:7])([H:8])[H:9],[C:1](/[C:2]([C:3]([O:4][H:13])([H:11])[H:12])=[C:5](/[O:6][H:16])[H:15])([H:7])([H:8])[H:9].[H:10][H:14],"InChI=1S/C4H10O2/c1-4(2-5)3-6/h4-6H,2-3H2,1H3","InChI=1S/C4H8O2.H2/c1-4(2-5)3-6;/h2,5-6H,3H2,1H3;1H/b4-2-;",99.1817,20.967,
7109,[C:1]([C:2]([C:3]([O:4][H:13])([H:11])[H:12])([C:5]([O:6][H:16])([H:14])[H:15])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2]([C:5]([O:6][H:16])([H:14])[H:15])([H:10])[H:12])([H:7])([H:8])[H:9].[C:3]([O:4][H:13])[H:11],"InChI=1S/C4H10O2/c1-4(2-5)3-6/h4-6H,2-3H2,1H3","InChI=1S/C3H8O.CH2O/c1-2-3-4;1-2/h4H,2-3H2,1H3;1-2H",71.29123,74.83204,
7110,[C:1]([C:2]([C:3]([O:4][H:13])([H:11])[H:12])([C:5]([O:6][H:16])([H:14])[H:15])[H:10])([H:7])([H:8])[H:9],[C:1]1([H:8])([H:9])[C:2]([C:5]([O:6][H:16])([H:14])[H:15])([H:10])[C:3]1([H:11])[H:12].[O:4]([H:7])[H:13],"InChI=1S/C4H10O2/c1-4(2-5)3-6/h4-6H,2-3H2,1H3","InChI=1S/C4H8O.H2O/c5-3-4-1-2-4;/h4-5H,1-3H2;1H2",88.20151,20.803739999999998,
7111,[C:1]([C:2]([C:3]([O:4][H:13])([H:11])[H:12])([C:5]([O:6][H:16])([H:14])[H:15])[H:10])([H:7])([H:8])[H:9],[C:1](=[C:2]([C:3]([O:4][H:13])([H:11])[H:12])[C:5]([O:6][H:16])([H:14])[H:15])([H:8])[H:9].[H:7][H:10],"InChI=1S/C4H10O2/c1-4(2-5)3-6/h4-6H,2-3H2,1H3","InChI=1S/C4H8O2.H2/c1-4(2-5)3-6;/h5-6H,1-3H2;1H",106.54736000000001,31.534570000000002,
7112,[C:1]([C:2]([C:3]([O:4][H:13])([H:11])[H:12])([C:5]([O:6][H:16])([H:14])[H:15])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2]1([H:10])[C:3]([H:11])([H:12])[O:6][C:5]1([H:14])[H:15])([H:7])([H:8])[H:9].[O:4]([H:13])[H:16],"InChI=1S/C4H10O2/c1-4(2-5)3-6/h4-6H,2-3H2,1H3","InChI=1S/C4H8O.H2O/c1-4-2-5-3-4;/h4H,2-3H2,1H3;1H2",63.48243000000001,24.957420000000003,
7113,[C:1]([C:2]([C:3]([O:4][H:13])([H:11])[H:12])([C:5]([O:6][H:16])([H:14])[H:15])[H:10])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:5]([H:14])([H:15])[O:6]1)([H:7])([H:8])[H:9].[C:3]([H:11])[H:12].[O:4]([H:13])[H:16],"InChI=1S/C4H10O2/c1-4(2-5)3-6/h4-6H,2-3H2,1H3","InChI=1S/C3H6O.CH2.H2O/c1-3-2-4-3;;/h3H,2H2,1H3;2*1H2/t3-;;/m0../s1",114.61001,141.08738,
7114,[N:1]([C:2](=[O:3])[C:4](=[O:5])[N:6]([H:9])[H:10])([H:7])[H:8],[C:4](=[O:5])=[N:6][H:9].[N:1]([C:2](=[O:3])[H:10])([H:7])[H:8],"InChI=1S/C2H4N2O2/c3-1(5)2(4)6/h(H2,3,5)(H2,4,6)","InChI=1S/CH3NO.CHNO/c2*2-1-3/h1H,(H2,2,3);2H",79.16371,19.868660000000002,
7115,[N:1]([C:2](=[O:3])[C:4](=[O:5])[N:6]([H:9])[H:10])([H:7])[H:8],[N+:1](=[C-:2][O:3][C:4](=[O:5])[N:6]([H:9])[H:10])([H:7])[H:8],"InChI=1S/C2H4N2O2/c3-1(5)2(4)6/h(H2,3,5)(H2,4,6)","InChI=1S/C2H4N2O2/c3-1-6-2(4)5/h3H2,(H2,4,5)",69.26217,52.16751,
7116,[N:1]([C:2](=[O:3])[C:4](=[O:5])[N:6]([H:9])[H:10])([H:7])[H:8],[N:1]([C:2](=[O:3])/[C:4]([O:5][H:9])=[N:6]\[H:10])([H:7])[H:8],"InChI=1S/C2H4N2O2/c3-1(5)2(4)6/h(H2,3,5)(H2,4,6)","InChI=1S/C2H4N2O2/c3-1(5)2(4)6/h(H2,3,5)(H2,4,6)",45.679629999999996,13.01609,ketoenol
7117,[N:1]([C:2](=[O:3])[C:4](=[O:5])[N:6]([H:9])[H:10])([H:7])[H:8],[N-:1]([C:2](=[O:3])[C+:4]([O:5][H:8])[N:6]([H:9])[H:10])[H:7],"InChI=1S/C2H4N2O2/c3-1(5)2(4)6/h(H2,3,5)(H2,4,6)","InChI=1S/C2H4N2O2/c3-1(5)2(4)6/h5H,3H2,(H-,4,6)",54.09659,48.81089,
7118,[N:1]([C:2](=[O:3])[H:6])([H:4])[H:5],[N:1](=[C:2](/[O:3][H:4])[H:6])\[H:5],"InChI=1S/CH3NO/c2-1-3/h1H,(H2,2,3)","InChI=1S/CH3NO/c2-1-3/h1H,(H2,2,3)",41.98187,9.00843,ketoenol
7119,[N:1]([C:2](=[O:3])[H:6])([H:4])[H:5],[N:1]([O+:3]=[C-:2][H:6])([H:4])[H:5],"InChI=1S/CH3NO/c2-1-3/h1H,(H2,2,3)","InChI=1S/CH3NO/c1-3-2/h1H,2H2",108.91911,111.30573000000001,
7120,[N:1]([C:2](=[O:3])[H:6])([H:4])[H:5],[H:5][H:6].[N:1](=[C:2]=[O:3])[H:4],"InChI=1S/CH3NO/c2-1-3/h1H,(H2,2,3)",InChI=1S/CHNO.H2/c2-1-3;/h2H;1H,71.33957,15.323920000000001,
7121,[C:1]([N:2]([C:3](=[O:4])[C:5](=[O:6])[H:11])[H:10])([H:7])([H:8])[H:9],[C:1]([N:2]([H:7])[H:10])([C:3](=[O:4])[C:5](=[O:6])[H:11])([H:8])[H:9],"InChI=1S/C3H5NO2/c1-4-3(6)2-5/h2H,1H3,(H,4,6)","InChI=1S/C3H5NO2/c4-1-3(6)2-5/h2H,1,4H2",89.26527,20.3375,
7122,[C:1]([N:2]([C:3](=[O:4])[C:5](=[O:6])[H:11])[H:10])([H:7])([H:8])[H:9],[C+:1]([N:2]([C:3]([O:4][H:7])=[C:5]([O-:6])[H:11])[H:10])([H:8])[H:9],"InChI=1S/C3H5NO2/c1-4-3(6)2-5/h2H,1H3,(H,4,6)","InChI=1S/C3H5NO2/c1-4-3(6)2-5/h2,4H,1H2,(H-,5,6)",47.08703,32.93612,
7123,[C:1]([N:2]([C:3](=[O:4])[C:5](=[O:6])[H:11])[H:10])([H:7])([H:8])[H:9],[C:1]([N:2]=[C:3]=[O:4])([H:7])([H:8])[H:9].[C:5](=[O:6])([H:10])[H:11],"InChI=1S/C3H5NO2/c1-4-3(6)2-5/h2H,1H3,(H,4,6)",InChI=1S/C2H3NO.CH2O/c1-3-2-4;1-2/h1H3;1H2,76.74999,18.87489,
7124,[C:1]([N:2]([C:3](=[O:4])[C:5](=[O:6])[H:11])[H:10])([H:7])([H:8])[H:9],[C-:5]#[O+:6].[C:1]([N:2]([C:3][O:4][H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C3H5NO2/c1-4-3(6)2-5/h2H,1H3,(H,4,6)","InChI=1S/C2H5NO.CO/c1-3-2-4;1-2/h3-4H,1H3;",53.59135,45.77097,
7125,[C:1]([N:2]([C:3](=[O:4])[C:5](=[O:6])[H:11])[H:10])([H:7])([H:8])[H:9],[C:1]([O:4]/[C:3](=[N:2]/[H:10])[C:5](=[O:6])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C3H5NO2/c1-4-3(6)2-5/h2H,1H3,(H,4,6)","InChI=1S/C3H5NO2/c1-6-3(4)2-5/h2,4H,1H3/b4-3+",65.62181,16.74767,ketoenol
7126,[C:1]([N:2]([C:3](=[O:4])[C:5](=[O:6])[H:11])[H:10])([H:7])([H:8])[H:9],[C:1]([N:2]([C:3]([O-:4])=[C:5]=[O+:6][H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C3H5NO2/c1-4-3(6)2-5/h2H,1H3,(H,4,6)","InChI=1S/C3H5NO2/c1-4-3(6)2-5/h4,6H,1H3",85.68298,52.32878,
7127,[C:1]([N:2]([C:3](=[O:4])[C:5](=[O:6])[H:11])[H:10])([H:7])([H:8])[H:9],[C:1]([N:2]([C-:3]=[O+:4][C:5](=[O:6])[H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C3H5NO2/c1-4-3(6)2-5/h2H,1H3,(H,4,6)","InChI=1S/C3H5NO2/c1-4-2-6-3-5/h3-4H,1H3",50.77312,43.503609999999995,
7128,[C:1]([N:2]([C:3](=[O:4])[C:5](=[O:6])[H:11])[H:10])([H:7])([H:8])[H:9],[C+:1]([N:2]([C:3]([O-:4])=[C:5]([O:6][H:7])[H:11])[H:10])([H:8])[H:9],"InChI=1S/C3H5NO2/c1-4-3(6)2-5/h2H,1H3,(H,4,6)","InChI=1S/C3H5NO2/c1-4-3(6)2-5/h2,4H,1H2,(H-,5,6)",74.80187,42.6984,
7129,[C:1]([N:2]([C:3](=[O:4])[C:5](=[O:6])[H:11])[H:10])([H:7])([H:8])[H:9],[C:1](=[N:2][H:10])([H:8])[H:9].[C:3](=[O:4])=[C:5]([O:6][H:7])[H:11],"InChI=1S/C3H5NO2/c1-4-3(6)2-5/h2H,1H3,(H,4,6)","InChI=1S/C2H2O2.CH3N/c3-1-2-4;1-2/h1,3H;2H,1H2",74.80898,53.95223000000001,Retroene
7130,[C:1]([N:2]([C:3](=[O:4])[C:5](=[O:6])[H:11])[H:10])([H:7])([H:8])[H:9],[C-:5]#[O+:6].[C:1]([N:2]([C:3](=[O:4])[H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C3H5NO2/c1-4-3(6)2-5/h2H,1H3,(H,4,6)","InChI=1S/C2H5NO.CO/c1-3-2-4;1-2/h2H,1H3,(H,3,4);",73.13985,2.39588,"1,2_Insertion_CO"
7131,[C:1]([N:2]([C:3](=[O:4])[C:5](=[O:6])[H:11])[H:10])([H:7])([H:8])[H:9],[C:1]([N:2]([C:3](=[O:4])[O+:6]=[C-:5][H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C3H5NO2/c1-4-3(6)2-5/h2H,1H3,(H,4,6)","InChI=1S/C3H5NO2/c1-4-3(5)6-2/h2H,1H3,(H,4,5)",76.808,64.25108,
7132,[C:1]([N:2]([C:3](=[O:4])[C:5](=[O:6])[H:11])[H:10])([H:7])([H:8])[H:9],[C-:3]#[O+:4].[C-:5]#[O+:6].[C:1]([N:2]([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C3H5NO2/c1-4-3(6)2-5/h2H,1H3,(H,4,6)","InChI=1S/CH5N.2CO/c3*1-2/h2H2,1H3;;",70.13745,17.83823,
7133,[O:1]=[C:2]1[N:3]([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[O:6]1,[N:3](=[C:4](/[C:5]([H:9])([H:10])[H:11])[H:8])\[H:7].[O:1]=[C:2]=[O:6],"InChI=1S/C3H5NO2/c5-3-4-1-2-6-3/h1-2H2,(H,4,5)","InChI=1S/C2H5N.CO2/c1-2-3;2-1-3/h2-3H,1H3;/b3-2+;",61.77865,-4.59065,
7134,[O:1]=[C:2]1[N:3]([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[O:6]1,[C:5](=[O:6])([H:10])[H:11].[O:1]=[C:2]1[N:3]([H:7])[C:4]1([H:8])[H:9],"InChI=1S/C3H5NO2/c5-3-4-1-2-6-3/h1-2H2,(H,4,5)","InChI=1S/C2H3NO.CH2O/c4-2-1-3-2;1-2/h1H2,(H,3,4);1H2",90.17089,62.69477,
7135,[O:1]=[C:2]1[N:3]([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[O:6]1,[O:1]([C:2]1=[O+:6][C:5]([H:10])([H:11])[C-:4]([H:8])[N:3]1[H:7])[H:9],"InChI=1S/C3H5NO2/c5-3-4-1-2-6-3/h1-2H2,(H,4,5)","InChI=1S/C3H5NO2/c5-3-4-1-2-6-3/h1,4-5H,2H2",107.47804,71.98866,
7136,[O:1]=[C:2]1[N:3]([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[O:6]1,[O:1]=[C:2]([N:3]([C:4]([C:5](=[O:6])[H:11])([H:8])[H:9])[H:7])[H:10],"InChI=1S/C3H5NO2/c5-3-4-1-2-6-3/h1-2H2,(H,4,5)","InChI=1S/C3H5NO2/c5-2-1-4-3-6/h2-3H,1H2,(H,4,6)",76.48721,13.06906,
7137,[O:1]=[C:2]1[N:3]([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[O:6]1,[O:1]1[C:2](=[N:3][H:7])[O:6][C:5]([H:10])([H:11])[C:4]1([H:8])[H:9],"InChI=1S/C3H5NO2/c5-3-4-1-2-6-3/h1-2H2,(H,4,5)","InChI=1S/C3H5NO2/c4-3-5-1-2-6-3/h4H,1-2H2",111.83445,19.53515,ketoenol
7138,[O:1]=[C:2]1[N:3]([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[O:6]1,[O:1]=[C:2]=[N:3][C:4]([C:5]([O:6][H:7])([H:10])[H:11])([H:8])[H:9],"InChI=1S/C3H5NO2/c5-3-4-1-2-6-3/h1-2H2,(H,4,5)","InChI=1S/C3H5NO2/c5-2-1-4-3-6/h5H,1-2H2",68.64005,8.4552,
7139,[O:1]=[C:2]1[N:3]([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[O:6]1,[O:1]([C:2]1=[N:3][C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[O:6]1)[H:7],"InChI=1S/C3H5NO2/c5-3-4-1-2-6-3/h1-2H2,(H,4,5)","InChI=1S/C3H5NO2/c5-3-4-1-2-6-3/h1-2H2,(H,4,5)",51.68042,13.65559,ketoenol
7140,[O:1]=[C:2]1[N:3]([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[O:6]1,[C:4]([C:5](=[O:6])[H:10])([H:8])([H:9])[H:11].[O:1]=[C:2]=[N:3][H:7],"InChI=1S/C3H5NO2/c5-3-4-1-2-6-3/h1-2H2,(H,4,5)","InChI=1S/C2H4O.CHNO/c1-2-3;2-1-3/h2H,1H3;2H",77.08858000000001,10.9815,
7141,[O:1]=[C:2]1[N:3]([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[O:6]1,[H:7][H:11].[O:1]=[C:2]=[N:3][C:4]([C:5](=[O:6])[H:10])([H:8])[H:9],"InChI=1S/C3H5NO2/c5-3-4-1-2-6-3/h1-2H2,(H,4,5)","InChI=1S/C3H3NO2.H2/c5-2-1-4-3-6;/h2H,1H2;1H",72.53216,27.31532,
7142,[O:1]=[C:2]1[N:3]([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[O:6]1,[N:3]1([H:7])[C:4]([H:8])([H:9])[C:5]1([H:10])[H:11].[O:1]=[C:2]=[O:6],"InChI=1S/C3H5NO2/c5-3-4-1-2-6-3/h1-2H2,(H,4,5)","InChI=1S/C2H5N.CO2/c1-2-3-1;2-1-3/h3H,1-2H2;",63.62053,18.78187,
7143,[O:1]=[C:2]1[N:3]([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[O:6]1,[O:1]=[C:2]([O:6][C:5](/[C:4](=[N:3]/[H:7])[H:8])([H:10])[H:11])[H:9],"InChI=1S/C3H5NO2/c5-3-4-1-2-6-3/h1-2H2,(H,4,5)","InChI=1S/C3H5NO2/c4-1-2-6-3-5/h1,3-4H,2H2/b4-1+",90.50655,24.1114,
7144,[O:1]=[C:2]1[N:3]([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[O:6]1,[O-:1][C-:2]1[N+:3]([H:7])([H:11])[C:4]([H:8])([H:9])[C:5]([H:10])=[O+:6]1,"InChI=1S/C3H5NO2/c5-3-4-1-2-6-3/h1-2H2,(H,4,5)","InChI=1S/C3H5NO2/c5-3-4-1-2-6-3/h2H,1,4H2",79.15292,77.40146999999999,
7145,[O:1]=[C:2]1[N:3]([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[O:6]1,[O:1]([C:2]1=[O+:6][C-:5]([H:10])[C:4]([H:8])([H:9])[N:3]1[H:7])[H:11],"InChI=1S/C3H5NO2/c5-3-4-1-2-6-3/h1-2H2,(H,4,5)","InChI=1S/C3H5NO2/c5-3-4-1-2-6-3/h2,4-5H,1H2",113.84754,75.37183,
7146,[O:1]=[C:2]1[N:3]([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[O:6]1,[C:5](=[O:6])([H:10])[H:11].[N:3](=[C:4]([H:8])[H:9])[H:7].[O+:1]#[C-:2],"InChI=1S/C3H5NO2/c5-3-4-1-2-6-3/h1-2H2,(H,4,5)","InChI=1S/CH3N.CH2O.CO/c3*1-2/h2H,1H2;1H2;",76.4274,50.89306,
7147,[O:1]=[C:2]1[N:3]([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[O:6]1,[O:1]=[C:2]([N+:3](=[C-:4][H:9])[H:7])[O:6][C:5]([H:8])([H:10])[H:11],"InChI=1S/C3H5NO2/c5-3-4-1-2-6-3/h1-2H2,(H,4,5)","InChI=1S/C3H5NO2/c1-4-3(5)6-2/h1,4H,2H3",81.69488,68.49727,
7148,[O:1]=[C:2]1[N:3]([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[O:6]1,[H:8][H:9].[O:1]=[C:2]1[N+:3]([H:7])=[C-:4][C:5]([H:10])([H:11])[O:6]1,"InChI=1S/C3H5NO2/c5-3-4-1-2-6-3/h1-2H2,(H,4,5)","InChI=1S/C3H3NO2.H2/c5-3-4-1-2-6-3;/h4H,2H2;1H",72.6097,58.474959999999996,
7149,[O:1]=[C:2]1[N:3]([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[O:6]1,[O:1]([C@:2]12[N:3]([H:7])[C@@:4]1([H:9])[C:5]([H:10])([H:11])[O:6]2)[H:8],"InChI=1S/C3H5NO2/c5-3-4-1-2-6-3/h1-2H2,(H,4,5)","InChI=1S/C3H5NO2/c5-3-2(4-3)1-6-3/h2,4-5H,1H2/t2-,3+/m0/s1",125.29988999999999,67.20897,
7150,[O:1]=[C:2]1[N:3]([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[O:6]1,[N:3]([C:4](=[C:5]([H:10])[H:11])[H:8])([H:7])[H:9].[O:1]=[C:2]=[O:6],"InChI=1S/C3H5NO2/c5-3-4-1-2-6-3/h1-2H2,(H,4,5)","InChI=1S/C2H5N.CO2/c1-2-3;2-1-3/h2H,1,3H2;",84.08398000000001,-1.65378,
7151,[O:1]=[C:2]1[N:3]([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[O:6]1,[C:4]1([H:8])([H:9])[C:5]([H:10])([H:11])[O:6]1.[O:1]=[C:2]=[N:3][H:7],"InChI=1S/C3H5NO2/c5-3-4-1-2-6-3/h1-2H2,(H,4,5)",InChI=1S/C2H4O.CHNO/c1-2-3-1;2-1-3/h1-2H2;2H,85.55038,38.48685,
7152,[O:1]=[C:2]1[N:3]([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[O:6]1,[O:1]=[C:2]([N:3]([C:4]([H:8])([H:9])[H:11])[H:7])[O+:6]=[C-:5][H:10],"InChI=1S/C3H5NO2/c5-3-4-1-2-6-3/h1-2H2,(H,4,5)","InChI=1S/C3H5NO2/c1-4-3(5)6-2/h2H,1H3,(H,4,5)",81.47169,70.62649,
7153,[O:1]=[C:2]1[N:3]([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[O:6]1,[H:10][H:11].[O:1]=[C:2]1[N:3]([H:7])[C:4]([H:8])([H:9])[C-:5]=[O+:6]1,"InChI=1S/C3H5NO2/c5-3-4-1-2-6-3/h1-2H2,(H,4,5)","InChI=1S/C3H3NO2.H2/c5-3-4-1-2-6-3;/h1H2,(H,4,5);1H",78.87305,70.12433,
7154,[O:1]=[C:2]1[N:3]([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[O:6]1,[O:1]1[C:2](=[O+:6][C-:5]([H:10])[H:11])[N:3]([H:7])[C:4]1([H:8])[H:9],"InChI=1S/C3H5NO2/c5-3-4-1-2-6-3/h1-2H2,(H,4,5)","InChI=1S/C3H5NO2/c1-5-3-4-2-6-3/h4H,1-2H2",135.3315,110.07826000000001,
7155,[O:1]=[C:2]1[N:3]([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[O:6]1,[O:1]=[C:2]([N:3]([H:7])[H:10])[O:6][C:5](=[C:4]([H:8])[H:9])[H:11],"InChI=1S/C3H5NO2/c5-3-4-1-2-6-3/h1-2H2,(H,4,5)","InChI=1S/C3H5NO2/c1-2-6-3(4)5/h2H,1H2,(H2,4,5)",82.53429,10.91024,
7156,[O:1]=[C:2]1[N:3]([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[O:6]1,[O:1][C:2](=[N:3])[O:6][C:5]([C:4]([H:7])([H:8])[H:9])([H:10])[H:11],"InChI=1S/C3H5NO2/c5-3-4-1-2-6-3/h1-2H2,(H,4,5)","InChI=1S/C3H5NO2/c1-2-6-3(4)5/h2H2,1H3",79.88994,78.65663,
7157,[C:1]([O:2][C:3](=[O:4])[H:8])([H:5])([H:6])[H:7],[C-:3]#[O+:4].[C:1](=[O:2])([H:6])[H:7].[H:5][H:8],"InChI=1S/C2H4O2/c1-4-2-3/h2H,1H3",InChI=1S/CH2O.CO.H2/c2*1-2;/h1H2;;1H,63.44733000000001,35.44924,
7158,[C:1]([O:2][C:3](=[O:4])[H:8])([H:5])([H:6])[H:7],[C-:3]#[O+:4].[C:1]([O:2][H:8])([H:5])([H:6])[H:7],"InChI=1S/C2H4O2/c1-4-2-3/h2H,1H3","InChI=1S/CH4O.CO/c2*1-2/h2H,1H3;",63.631440000000005,12.609160000000001,"1,2_Insertion_CO"
7159,[O:1]([C:2]([C:3]([C:4]([C:5]([O:6][H:16])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:8])[H:9])[H:7],[C:4]([H:12])[H:13].[O:1]([C:2]([C:3]([C:5]([O:6][H:16])([H:14])[H:15])([H:10])[H:11])([H:8])[H:9])[H:7],"InChI=1S/C4H10O2/c5-3-1-2-4-6/h5-6H,1-4H2","InChI=1S/C3H8O2.CH2/c4-2-1-3-5;/h4-5H,1-3H2;1H2",129.9112,117.60365,
7160,[O:1]([C:2]([C:3]([C:4]([C:5]([O:6][H:16])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:8])[H:9])[H:7],[O:1]1[C:2]([H:8])([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]1([H:14])[H:15].[O:6]([H:7])[H:16],"InChI=1S/C4H10O2/c5-3-1-2-4-6/h5-6H,1-4H2",InChI=1S/C4H8O.H2O/c1-2-4-5-3-1;/h1-4H2;1H2,53.03581,8.60253,
7161,[O:1]([C:2]([C:3]([C:4]([C:5]([O:6][H:16])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:8])[H:9])[H:7],[C:3]([C:4]([C:5]([O:6][H:16])[H:15])([H:12])[H:13])([H:10])([H:11])[H:14].[O:1]([C:2]([H:8])[H:9])[H:7],"InChI=1S/C4H10O2/c5-3-1-2-4-6/h5-6H,1-4H2","InChI=1S/C3H7O.CH3O/c1-2-3-4;1-2/h3-4H,2H2,1H3;2H,1H2",111.70683999999999,84.3251,
7162,[O:1]([C:2]([C:3]([C:4]([C:5]([O:6][H:16])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:8])[H:9])[H:7],[C:2](=[C:3]([C:4]([C:5]([O:6][H:16])([H:14])[H:15])([H:12])[H:13])[H:11])([H:8])[H:9].[O:1]([H:7])[H:10],"InChI=1S/C4H10O2/c5-3-1-2-4-6/h5-6H,1-4H2","InChI=1S/C4H8O.H2O/c1-2-3-4-5;/h2,5H,1,3-4H2;1H2",61.66065,16.20835,"1,3_Insertion_ROR"
7163,[O:1]([C:2]([C:3]([C:4]([C:5]([O:6][H:16])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:8])[H:9])[H:7],[H:14][H:16].[O:1]([C:2]([C:3]([C:4]([C:5](=[O:6])[H:15])([H:12])[H:13])([H:10])[H:11])([H:8])[H:9])[H:7],"InChI=1S/C4H10O2/c5-3-1-2-4-6/h5-6H,1-4H2","InChI=1S/C4H8O2.H2/c5-3-1-2-4-6;/h3,6H,1-2,4H2;1H",76.96500999999999,18.16245,
7164,[O:1]([C:2]([C:3]([C:4]([C:5]([O:6][H:16])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:8])[H:9])[H:7],[C:5](=[O:6])([H:14])[H:15].[O:1]([C:2]([C:3]([C:4]([H:12])([H:13])[H:16])([H:10])[H:11])([H:8])[H:9])[H:7],"InChI=1S/C4H10O2/c5-3-1-2-4-6/h5-6H,1-4H2","InChI=1S/C3H8O.CH2O/c1-2-3-4;1-2/h4H,2-3H2,1H3;1H2",77.02855,19.042820000000003,
7165,[O:1]([C:2]([C:3]([C:4]([C:5]([O:6][H:16])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:8])[H:9])[H:7],[C:4](=[C:5]([H:14])[H:15])([H:12])[H:13].[O:1]([C:2]([C:3]([O:6][H:16])([H:10])[H:11])([H:8])[H:9])[H:7],"InChI=1S/C4H10O2/c5-3-1-2-4-6/h5-6H,1-4H2","InChI=1S/C2H6O2.C2H4/c3-1-2-4;1-2/h3-4H,1-2H2;1-2H2",91.49934,25.56568,"1,3_Insertion_ROR"
7166,[C:1]([N:2]([C:3](=[O:4])[C:5]#[C:6][H:11])[H:10])([H:7])([H:8])[H:9],[C:1]([N:2]([C:3](=[O:4])[C:5](=[C:6])[H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-3-4(6)5-2/h1H,2H3,(H,5,6)","InChI=1S/C4H5NO/c1-3-4(6)5-2/h3H,2H3,(H,5,6)",44.5182,50.72722,Singlet_Carbene_Intra_Disproportionation
7167,[C:1]([N:2]([C:3](=[O:4])[C:5]#[C:6][H:11])[H:10])([H:7])([H:8])[H:9],[C:1]([C:5]#[C:6][H:11])([H:7])([H:8])[H:9].[N:2](=[C:3]=[O:4])[H:10],"InChI=1S/C4H5NO/c1-3-4(6)5-2/h1H,2H3,(H,5,6)","InChI=1S/C3H4.CHNO/c1-3-2;2-1-3/h1H,2H3;2H",93.26525,0.61019,
7168,[C:1]([N:2]([C:3](=[O:4])[C:5]#[C:6][H:11])[H:10])([H:7])([H:8])[H:9],[C:1]([N:2]=[C:3]=[O:4])([H:7])([H:8])[H:9].[C:5](#[C:6][H:11])[H:10],"InChI=1S/C4H5NO/c1-3-4(6)5-2/h1H,2H3,(H,5,6)",InChI=1S/C2H3NO.C2H2/c1-3-2-4;1-2/h1H3;1-2H,58.11473,14.27994,
7169,[C:1]([N:2]([C:3](=[O:4])[C:5]#[C:6][H:11])[H:10])([H:7])([H:8])[H:9],[C:1]([N:2]([C:6](=[C:5]=[C:3]=[O:4])[H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-3-4(6)5-2/h1H,2H3,(H,5,6)","InChI=1S/C4H5NO/c1-5-3-2-4-6/h3,5H,1H3",57.5704,-6.59715,
7170,[C:1]([N:2]([C:3](=[O:4])[C:5]#[C:6][H:11])[H:10])([H:7])([H:8])[H:9],[C:1]([N:2]([C:3]#[C:5][C:6](=[O:4])[H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-3-4(6)5-2/h1H,2H3,(H,5,6)","InChI=1S/C4H5NO/c1-5-3-2-4-6/h4-5H,1H3",76.98935999999999,13.55396,
7171,[C:1]([N:2]([C:3](=[O:4])[C:5]#[C:6][H:11])[H:10])([H:7])([H:8])[H:9],[C-:1]([N:2]([C:3]([O:4][H:8])=[C:5]=[C+:6][H:11])[H:10])([H:7])[H:9],"InChI=1S/C4H5NO/c1-3-4(6)5-2/h1H,2H3,(H,5,6)","InChI=1S/C4H5NO/c1-3-4(6)5-2/h1,5-6H,2H2",51.08279,47.1286,
7172,[C:1]([N:2]([C:3](=[O:4])[C:5]#[C:6][H:11])[H:10])([H:7])([H:8])[H:9],[C:1]([N:2]([C+:3]([O:4][H:11])[C:5]#[C-:6])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-3-4(6)5-2/h1H,2H3,(H,5,6)","InChI=1S/C4H5NO/c1-3-4(6)5-2/h5-6H,2H3",70.51886999999999,43.202020000000005,
7173,[C:1]([N:2]([C:3](=[O:4])[C:5]#[C:6][H:11])[H:10])([H:7])([H:8])[H:9],[C:1]([O:4]/[C:3](=[N:2]/[H:10])[C:5]#[C:6][H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-3-4(6)5-2/h1H,2H3,(H,5,6)","InChI=1S/C4H5NO/c1-3-4(5)6-2/h1,5H,2H3/b5-4+",63.80543,15.44945,ketoenol
7174,[C:1]([N:2]([C:3](=[O:4])[C:5]#[C:6][H:11])[H:10])([H:7])([H:8])[H:9],[C:1]([N:2]([C-:3]=[O+:4][C:5]#[C:6][H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-3-4(6)5-2/h1H,2H3,(H,5,6)","InChI=1S/C4H5NO/c1-3-6-4-5-2/h1,5H,2H3",84.21065,62.910230000000006,
7175,[C:1]([N:2]([C:3](=[O:4])[C:5]#[C:6][H:11])[H:10])([H:7])([H:8])[H:9],[C:1](=[N:2][H:10])([H:7])[H:9].[C:3](=[O:4])=[C:5]=[C:6]([H:8])[H:11],"InChI=1S/C4H5NO/c1-3-4(6)5-2/h1H,2H3,(H,5,6)","InChI=1S/C3H2O.CH3N/c1-2-3-4;1-2/h1H2;2H,1H2",43.78293,29.31253,Retroene
7176,[C:1]([N:2]([C:3](=[O:4])[C:5]#[C:6][H:11])[H:10])([H:7])([H:8])[H:9],[C:1]1([H:7])([H:9])[N:2]([H:10])[C:3](=[O:4])[C:5]1=[C:6]([H:8])[H:11],"InChI=1S/C4H5NO/c1-3-4(6)5-2/h1H,2H3,(H,5,6)","InChI=1S/C4H5NO/c1-3-2-5-4(3)6/h1-2H2,(H,5,6)",75.21916,-14.284279999999999,
7177,[C:1]([N:2]([C:3](=[O:4])[C:5]#[C:6][H:11])[H:10])([H:7])([H:8])[H:9],[C:1](=[N:2][H:10])([H:7])[H:9].[C:3](=[O:4])([C:5]#[C:6][H:11])[H:8],"InChI=1S/C4H5NO/c1-3-4(6)5-2/h1H,2H3,(H,5,6)","InChI=1S/C3H2O.CH3N/c1-2-3-4;1-2/h1,3H;2H,1H2",85.37479,38.773759999999996,
7178,[C:1]([c:2]1[n:3][o:4][c:5]([H:10])[n:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]#[N:3])([H:7])([H:8])[H:9].[O:4]=[C:5]=[N:6][H:10],"InChI=1S/C3H4N2O/c1-3-4-2-6-5-3/h2H,1H3",InChI=1S/C2H3N.CHNO/c1-2-3;2-1-3/h1H3;2H,52.878980000000006,-22.72382,
7179,[C:1]([c:2]1[n:3][o:4][c:5]([H:10])[n:6]1)([H:7])([H:8])[H:9],[C:1]([N:3]=[C:2]=[N:6][C:5](=[O:4])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C3H4N2O/c1-3-4-2-6-5-3/h2H,1H3","InChI=1S/C3H4N2O/c1-4-2-5-3-6/h3H,1H3",46.2153,-8.2179,
7180,[C:1]([c:2]1[n:3][o:4][c:5]([H:10])[n:6]1)([H:7])([H:8])[H:9],[C:1]([N:6]([C:2]#[N:3])[C:5](=[O:4])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C3H4N2O/c1-3-4-2-6-5-3/h2H,1H3","InChI=1S/C3H4N2O/c1-5(2-4)3-6/h3H,1H3",65.77259000000001,-8.33778,
7181,[C:1]([c:2]1[n:3][o:4][c:5]([H:10])[n:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]1=[N:3][N:6]1[C:5](=[O:4])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C3H4N2O/c1-3-4-2-6-5-3/h2H,1H3","InChI=1S/C3H4N2O/c1-3-4-5(3)2-6/h2H,1H3",45.71163,41.6115,ketoenol
7182,[C:1]([c:2]1[n:3][o:4][c:5]([H:10])[n:6]1)([H:7])([H:8])[H:9],[C:1]([c:2]1[n:3][o+:4][c-:5][n:6]1[H:10])([H:7])([H:8])[H:9],"InChI=1S/C3H4N2O/c1-3-4-2-6-5-3/h2H,1H3","InChI=1S/C3H4N2O/c1-3-4-2-6-5-3/h1H3,(H,4,5)",70.51861,29.08039,
7183,[C:1]([c:2]1[n:3][o:4][c:5]([H:10])[n:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]#[N+:3][O-:4])([H:7])([H:8])[H:9].[C:5](#[N:6])[H:10],"InChI=1S/C3H4N2O/c1-3-4-2-6-5-3/h2H,1H3",InChI=1S/C2H3NO.CHN/c1-2-3-4;1-2/h1H3;1H,55.30556,48.27402,
7184,[C:1]([c:2]1[n:3][o:4][c:5]([H:10])[n:6]1)([H:7])([H:8])[H:9],[C:1](=[C:2]1[N-:3][O+:4]=[C:5]([H:10])[N:6]1[H:9])([H:7])[H:8],"InChI=1S/C3H4N2O/c1-3-4-2-6-5-3/h2H,1H3","InChI=1S/C3H4N2O/c1-3-4-2-6-5-3/h2,4H,1H2",78.97610999999999,50.63747,
7185,[C:1]([c:2]1[n:3][o:4][c:5]([H:10])[n:6]1)([H:7])([H:8])[H:9],[C:1](=[C:2]1[N:3]([H:9])[O:4][C:5]([H:10])=[N:6]1)([H:7])[H:8],"InChI=1S/C3H4N2O/c1-3-4-2-6-5-3/h2H,1H3","InChI=1S/C3H4N2O/c1-3-4-2-6-5-3/h2,5H,1H2",91.18417,29.17816,
7186,[C:1]([c:2]1[n:3][o:4][c:5]([H:10])[n:6]1)([H:7])([H:8])[H:9],[C:1](=[C:2]([N:3]=[O:4])[N:6]=[C:5]([H:9])[H:10])([H:7])[H:8],"InChI=1S/C3H4N2O/c1-3-4-2-6-5-3/h2H,1H3",InChI=1S/C3H4N2O/c1-3(4-2)5-6/h1-2H2,121.34515,55.07034,
7187,[O:1]=[C:2]([C@@:3]1([H:7])[C:4]([H:8])([H:9])[N:5]1[H:10])[H:6],[O:1]=[C:2]([C:4](/[C:3](=[N:5]\[H:10])[H:7])([H:8])[H:9])[H:6],"InChI=1S/C3H5NO/c5-2-3-1-4-3/h2-4H,1H2/t3-/m1/s1","InChI=1S/C3H5NO/c4-2-1-3-5/h2-4H,1H2/b4-2-",69.39256999999999,-12.8176,
7188,[O:1]=[C:2]([C@@:3]1([H:7])[C:4]([H:8])([H:9])[N:5]1[H:10])[H:6],[O:1](/[C:2](=[C:3]1\[C:4]([H:8])([H:9])[N:5]1[H:10])[H:6])[H:7],"InChI=1S/C3H5NO/c5-2-3-1-4-3/h2-4H,1H2/t3-/m1/s1","InChI=1S/C3H5NO/c5-2-3-1-4-3/h2,4-5H,1H2/b3-2+",68.6128,18.15438,ketoenol
7189,[O:1]=[C:2]([C@@:3]1([H:7])[C:4]([H:8])([H:9])[N:5]1[H:10])[H:6],[O+:1](=[C-:2][H:6])[C@@:3]1([H:7])[C:4]([H:8])([H:9])[N:5]1[H:10],"InChI=1S/C3H5NO/c5-2-3-1-4-3/h2-4H,1H2/t3-/m1/s1","InChI=1S/C3H5NO/c1-5-3-2-4-3/h1,3-4H,2H2/t3-/m0/s1",102.38346999999999,70.90321,
7190,[O:1]=[C:2]([C@@:3]1([H:7])[C:4]([H:8])([H:9])[N:5]1[H:10])[H:6],[O:1]=[C:2]([C@@:3]1([H:7])[C-:4]([H:9])[N+:5]1([H:8])[H:10])[H:6],"InChI=1S/C3H5NO/c5-2-3-1-4-3/h2-4H,1H2/t3-/m1/s1","InChI=1S/C3H5NO/c5-2-3-1-4-3/h1-3H,4H2/t3-/m1/s1",64.14834,50.84582,
7191,[O:1]=[C:2]([C@@:3]1([H:7])[C:4]([H:8])([H:9])[N:5]1[H:10])[H:6],[O-:1][C:2]([C+:3]1[C:4]([H:8])([H:9])[N:5]1[H:10])([H:6])[H:7],"InChI=1S/C3H5NO/c5-2-3-1-4-3/h2-4H,1H2/t3-/m1/s1","InChI=1S/C3H5NO/c5-2-3-1-4-3/h4H,1-2H2",68.23914,68.16486,
7192,[O:1]=[C:2]([C@@:3]1([H:7])[C:4]([H:8])([H:9])[N:5]1[H:10])[H:6],[C:4](=[N:5][H:10])([H:8])[H:9].[O:1]=[C:2]=[C:3]([H:6])[H:7],"InChI=1S/C3H5NO/c5-2-3-1-4-3/h2-4H,1H2/t3-/m1/s1","InChI=1S/C2H2O.CH3N/c1-2-3;1-2/h1H2;2H,1H2",61.460919999999994,5.36879,
7193,[O:1]=[C:2]([C@@:3]1([H:7])[C:4]([H:8])([H:9])[N:5]1[H:10])[H:6],[O:1]=[C:2](/[C:3](=[N:5]/[C:4]([H:8])([H:9])[H:10])[H:7])[H:6],"InChI=1S/C3H5NO/c5-2-3-1-4-3/h2-4H,1H2/t3-/m1/s1","InChI=1S/C3H5NO/c1-4-2-3-5/h2-3H,1H3/b4-2+",66.46564000000001,-5.68417,
7194,[O:1]=[C:2]([C@@:3]1([H:7])[C:4]([H:8])([H:9])[N:5]1[H:10])[H:6],[O:1]([C:2]([C@@:3]1([H:7])[C:4]([H:8])=[N:5]1)([H:6])[H:9])[H:10],"InChI=1S/C3H5NO/c5-2-3-1-4-3/h2-4H,1H2/t3-/m1/s1","InChI=1S/C3H5NO/c5-2-3-1-4-3/h1,3,5H,2H2/t3-/m1/s1",72.54371,20.05528,
7195,[O:1]=[C:2]([C@@:3]1([H:7])[C:4]([H:8])([H:9])[N:5]1[H:10])[H:6],[C:3](\[C:4]([H:6])([H:8])[H:9])(=[N:5]\[H:10])[H:7].[O+:1]#[C-:2],"InChI=1S/C3H5NO/c5-2-3-1-4-3/h2-4H,1H2/t3-/m1/s1","InChI=1S/C2H5N.CO/c1-2-3;1-2/h2-3H,1H3;/b3-2-;",66.7956,-17.52358,
7196,[O:1]=[C:2]([C@@:3]1([H:7])[C:4]([H:8])([H:9])[N:5]1[H:10])[H:6],[O-:1][C:2](=[C:3]([N:5]([C+:4]([H:8])[H:9])[H:10])[H:7])[H:6],"InChI=1S/C3H5NO/c5-2-3-1-4-3/h2-4H,1H2/t3-/m1/s1","InChI=1S/C3H5NO/c1-4-2-3-5/h2-4H,1H2",31.51622,2.48497,
7197,[O:1]=[C:2]([C@@:3]1([H:7])[C:4]([H:8])([H:9])[N:5]1[H:10])[H:6],[O:1]=[C:2]([N:5]([C:3](=[C:4]([H:8])[H:9])[H:7])[H:10])[H:6],"InChI=1S/C3H5NO/c5-2-3-1-4-3/h2-4H,1H2/t3-/m1/s1","InChI=1S/C3H5NO/c1-2-4-3-5/h2-3H,1H2,(H,4,5)",65.54728,-27.63208,
7198,[O:1]=[C:2]([C@@:3]1([H:7])[C:4]([H:8])([H:9])[N:5]1[H:10])[H:6],[O:1]([C+:2]([C@@:3]1([H:7])[C-:4]([H:9])[N:5]1[H:10])[H:6])[H:8],"InChI=1S/C3H5NO/c5-2-3-1-4-3/h2-4H,1H2/t3-/m1/s1",InChI=1S/C3H5NO/c5-2-3-1-4-3/h1-5H/t3-/m1/s1,96.39725,59.52555,
7199,[O:1]=[C:2]([C@@:3]1([H:7])[C:4]([H:8])([H:9])[N:5]1[H:10])[H:6],[C:3]1[C:4]([H:8])([H:9])[N:5]1[H:10].[O:1]=[C:2]([H:6])[H:7],"InChI=1S/C3H5NO/c5-2-3-1-4-3/h2-4H,1H2/t3-/m1/s1","InChI=1S/C2H3N.CH2O/c1-2-3-1;1-2/h3H,1H2;1H2",68.24195,73.99072,
7200,[O:1]=[C:2]([C@@:3]1([H:7])[C:4]([H:8])([H:9])[N:5]1[H:10])[H:6],[O-:1][C:2](=[C+:3][N:5]([C:4]([H:7])([H:8])[H:9])[H:10])[H:6],"InChI=1S/C3H5NO/c5-2-3-1-4-3/h2-4H,1H2/t3-/m1/s1","InChI=1S/C3H5NO/c1-4-2-3-5/h3-4H,1H3",72.57284,22.20103,
7201,[O:1]=[C:2]([C@@:3]1([H:7])[C:4]([H:8])([H:9])[N:5]1[H:10])[H:6],[O-:1][C:2](=[C:3]1[C:4]([H:8])([H:9])[N+:5]1([H:7])[H:10])[H:6],"InChI=1S/C3H5NO/c5-2-3-1-4-3/h2-4H,1H2/t3-/m1/s1","InChI=1S/C3H5NO/c5-2-3-1-4-3/h2,4-5H,1H2",57.06685,35.3991,
7202,[O:1]=[C:2]([C@@:3]1([H:7])[C:4]([H:8])([H:9])[N:5]1[H:10])[H:6],[O:1]=[C:2]([C:3]([N:5]([C:4][H:8])[H:10])([H:7])[H:9])[H:6],"InChI=1S/C3H5NO/c5-2-3-1-4-3/h2-4H,1H2/t3-/m1/s1","InChI=1S/C3H5NO/c1-4-2-3-5/h1,3-4H,2H2",73.10883000000001,37.09345,
7203,[O:1]=[C:2]([C@@:3]1([H:7])[C:4]([H:8])([H:9])[N:5]1[H:10])[H:6],[O:1]([C:2][C@@:3]1([H:7])[C:4]([H:8])([H:9])[N:5]1[H:10])[H:6],"InChI=1S/C3H5NO/c5-2-3-1-4-3/h2-4H,1H2/t3-/m1/s1","InChI=1S/C3H5NO/c5-2-3-1-4-3/h3-5H,1H2/t3-/m1/s1",79.24474000000001,54.599380000000004,
7204,[O:1]=[C:2]([C@@:3]1([H:7])[C:4]([H:8])([H:9])[N:5]1[H:10])[H:6],[C:4](=[N:5][H:10])([H:8])[H:9].[O-:1][C:2](=[C+:3][H:7])[H:6],"InChI=1S/C3H5NO/c5-2-3-1-4-3/h2-4H,1H2/t3-/m1/s1","InChI=1S/C2H2O.CH3N/c1-2-3;1-2/h1-2H;2H,1H2",75.57053,82.70826,
7205,[O:1]=[C:2]([C@@:3]1([H:7])[C:4]([H:8])([H:9])[N:5]1[H:10])[H:6],[H:6][H:8].[O+:1]#[C:2][C@@:3]1([H:7])[C-:4]([H:9])[N:5]1[H:10],"InChI=1S/C3H5NO/c5-2-3-1-4-3/h2-4H,1H2/t3-/m1/s1","InChI=1S/C3H3NO.H2/c5-2-3-1-4-3;/h1,3-4H;1H/t3-;/m1./s1",109.55353000000001,74.48375,
7206,[O:1]=[C:2]([C@@:3]1([H:7])[C:4]([H:8])([H:9])[N:5]1[H:10])[H:6],[C:3](=[C:4]([H:8])[H:9])([N:5]([H:6])[H:10])[H:7].[O+:1]#[C-:2],"InChI=1S/C3H5NO/c5-2-3-1-4-3/h2-4H,1H2/t3-/m1/s1","InChI=1S/C2H5N.CO/c1-2-3;1-2/h2H,1,3H2;",67.05636,-14.5764,
7207,[O:1]=[C:2]([C@@:3]1([H:7])[C:4]([H:8])([H:9])[N:5]1[H:10])[H:6],[O:1]1[C:2]([H:6])=[C:3]([H:7])[C:4]([H:8])([H:9])[N:5]1[H:10],"InChI=1S/C3H5NO/c5-2-3-1-4-3/h2-4H,1H2/t3-/m1/s1","InChI=1S/C3H5NO/c1-2-4-5-3-1/h1,3-4H,2H2",50.28734,26.33519,ketoenol
7208,[C:1]([C:2]([O:3][C:4]([C:5]#[N:6])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](=[O:3])[H:10])([H:7])([H:8])[H:9].[C:4](=[C:5]=[N:6][H:11])([H:12])[H:13],"InChI=1S/C4H7NO/c1-2-6-4-3-5/h2,4H2,1H3","InChI=1S/C2H3N.C2H4O/c2*1-2-3/h3H,1H2;2H,1H3",44.19655,15.37834,Retroene
7209,[C:1]([C:2]([O:3][C:4]([C:5]#[N:6])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([O:3][C:5]1=[N:6][C:4]1([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-2-6-4-3-5/h2,4H2,1H3","InChI=1S/C4H7NO/c1-2-6-4-3-5-4/h2-3H2,1H3",75.42269,26.74431,
7210,[C:1]([C:2]([O:3][C:4]([C:5]#[N:6])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C+:4](=[C:5]=[N-:6])[H:12].[C:1]([C:2]([O:3][H:13])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-2-6-4-3-5/h2,4H2,1H3","InChI=1S/C2HN.C2H6O/c2*1-2-3/h1H;3H,2H2,1H3",68.71308,84.46448000000001,
7211,[C:1]([C:2]([O:3][C:4]([C:5]#[N:6])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:13].[C:2](=[O+:3][C:4](=[C:5]=[N-:6])[H:12])([H:10])[H:11],"InChI=1S/C4H7NO/c1-2-6-4-3-5/h2,4H2,1H3","InChI=1S/C3H3NO.CH4/c1-5-3-2-4;/h3H,1H2;1H4",73.35552,45.90551,
7212,[C:1]([C:2]([O:3][C:4]([C:5]#[N:6])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](=[O+:3][C:4](=[C:5]=[N-:6])[H:12])[H:10])([H:7])([H:8])[H:9].[H:11][H:13],"InChI=1S/C4H7NO/c1-2-6-4-3-5/h2,4H2,1H3","InChI=1S/C4H5NO.H2/c1-2-6-4-3-5;/h2,4H,1H3;1H",61.165009999999995,53.66246999999999,
7213,[C:1]([C:2]([O:3][C:4]([C:5]#[N:6])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([O:3][N:6]=[C:5]=[C:4]([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-2-6-4-3-5/h2,4H2,1H3","InChI=1S/C4H7NO/c1-3-5-6-4-2/h1,4H2,2H3",75.59689,46.7699,
7214,[C:1]([C:2]([O:3][C:4]([C:5]#[N:6])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([O:3][C:4]([N+:6]#[C-:5])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-2-6-4-3-5/h2,4H2,1H3","InChI=1S/C4H7NO/c1-3-6-4-5-2/h3-4H2,1H3",49.842209999999994,22.474520000000002,
7215,[C:1]([C:2]([O:3][C:4]([C:5]#[N:6])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[O:3][C:4]([H:12])([H:13])[C:5][N:6]1[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-2-6-4-3-5/h2,4H2,1H3","InChI=1S/C4H7NO/c1-4-5-2-3-6-4/h4-5H,3H2,1H3/t4-/m1/s1",68.06056,33.71345,
7216,[C:1]([C:2]([O:3][C:4]([C:5]#[N:6])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]1([H:7])([H:9])[C:2]([H:10])([H:11])[O:3][C:4]([H:12])([H:13])[C:5][N:6]1[H:8],"InChI=1S/C4H7NO/c1-2-6-4-3-5/h2,4H2,1H3","InChI=1S/C4H7NO/c1-3-6-4-2-5-1/h5H,1,3-4H2",83.79236,41.37791,
7217,[C:1]([C:2]([O:3][C:4]([C:5]#[N:6])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([O:3][C:4](=[C:5]=[N:6][H:13])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-2-6-4-3-5/h2,4H2,1H3","InChI=1S/C4H7NO/c1-2-6-4-3-5/h4-5H,2H2,1H3",86.74059,20.41096,
7218,[C:1]([C:2]([O:3][C:4]([C:5]#[N:6])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C-:2]([O+:3]=[C:4]([H:12])[H:13])([H:10])[H:11].[C:1]([C:5]#[N:6])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-2-6-4-3-5/h2,4H2,1H3",InChI=1S/C2H3N.C2H4O/c1-2-3;1-3-2/h1H3;1-2H2,85.10909000000001,62.849759999999996,
7219,[C:1]([C:2]([O:3][C:4]([C:5]#[N:6])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](=[O+:3][C-:4]([H:12])[H:13])[H:10])([H:7])([H:8])[H:9].[C:5](#[N:6])[H:11],"InChI=1S/C4H7NO/c1-2-6-4-3-5/h2,4H2,1H3","InChI=1S/C3H6O.CHN/c1-3-4-2;1-2/h3H,2H2,1H3;1H",60.72759,68.61424,
7220,[C:1]([C:2]([O:3][C:4]([C:5]#[N:6])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:3][C:2]([N:6]=[C:5]=[C:4]([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-2-6-4-3-5/h2,4H2,1H3","InChI=1S/C4H7NO/c1-3-5-4-6-2/h1,4H2,2H3",95.96016,22.221529999999998,
7221,[C:1]([C:2]([O:3][C:4]([C:5]#[N:6])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:5]1=[N:6][C:2]([H:10])([H:11])[O:3][C:4]1([H:12])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-2-6-4-3-5/h2,4H2,1H3","InChI=1S/C4H7NO/c1-4-2-6-3-5-4/h2-3H2,1H3",85.10779000000001,-6.22926,
7222,[C:1]([C:2]([O:3][C:4]([C:5]#[N:6])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([N:6]=[C:5]1[C:2]([H:10])([H:11])[O:3][C:4]1([H:12])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-2-6-4-3-5/h2,4H2,1H3","InChI=1S/C4H7NO/c1-5-4-2-6-3-4/h2-3H2,1H3",102.8739,21.148239999999998,
7223,[C:1]([C:2]1([O:3][H:10])[C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]([C@:2]([O:3][H:10])([C:4]([O:5][H:13])([H:11])[H:12])[C:6][H:14])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-4(5)2-6-3-4/h5H,2-3H2,1H3","InChI=1S/C4H8O2/c1-4(2,6)3-5/h1,5-6H,3H2,2H3/t4-/m0/s1",71.46248,68.50731999999999,
7224,[C:1]([C:2]1([O:3][H:10])[C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]([O:3][H:10])([H:7])([H:8])[H:9].[C:2]1[C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14],"InChI=1S/C4H8O2/c1-4(5)2-6-3-4/h5H,2-3H2,1H3","InChI=1S/C3H4O.CH4O/c1-2-4-3-1;1-2/h2-3H2;2H,1H3",111.84288000000001,103.93024,
7225,[C:1]([C:2]1([O:3][H:10])[C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]([C:2](=[O:3])[C:4]([O:5][C:6]([H:10])([H:13])[H:14])([H:11])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-4(5)2-6-3-4/h5H,2-3H2,1H3","InChI=1S/C4H8O2/c1-4(5)3-6-2/h3H2,1-2H3",67.72156,-12.62853,
7226,[C:1]([C:2]1([O:3][H:10])[C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([C:4]([O:5][H:10])([H:11])[H:12])[O:3][C:6]1([H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-4(5)2-6-3-4/h5H,2-3H2,1H3","InChI=1S/C4H8O2/c1-4(2-5)3-6-4/h5H,2-3H2,1H3/t4-/m0/s1",57.50646,-2.2042200000000003,
7227,[C:1]([C:2]1([O:3][H:10])[C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]([C@@:2]([O:3][H:10])([C:6]([O+:5]=[C-:4][H:11])([H:13])[H:14])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-4(5)2-6-3-4/h5H,2-3H2,1H3","InChI=1S/C4H8O2/c1-4(5)3-6-2/h2,4-5H,3H2,1H3/t4-/m1/s1",69.88064,50.04156,
7228,[C:1]([C:2]1([O:3][H:10])[C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]([C:2]1=[C:6]([H:14])[O:5][C:4]1([H:11])[H:12])([H:7])([H:8])[H:9].[O:3]([H:10])[H:13],"InChI=1S/C4H8O2/c1-4(5)2-6-3-4/h5H,2-3H2,1H3","InChI=1S/C4H6O.H2O/c1-4-2-5-3-4;/h2H,3H2,1H3;1H2",67.21914,16.34698,"1,3_Insertion_ROR"
7229,[C:1]([C:2]1([O:3][H:10])[C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]([C@:2]1([O:3][H:10])[C-:4]=[O+:5][C:6]1([H:13])[H:14])([H:7])([H:8])[H:9].[H:11][H:12],"InChI=1S/C4H8O2/c1-4(5)2-6-3-4/h5H,2-3H2,1H3","InChI=1S/C4H6O2.H2/c1-4(5)2-6-3-4;/h5H,2H2,1H3;1H/t4-;/m1./s1",77.99894,71.59666,
7230,[C:1]([C:2]1([O:3][H:10])[C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]([C:6]([O:5][C:4]([C:2][O:3][H:10])([H:11])[H:12])([H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-4(5)2-6-3-4/h5H,2-3H2,1H3","InChI=1S/C4H8O2/c1-2-6-4-3-5/h5H,2,4H2,1H3",99.7041,48.989670000000004,
7231,[C:1]([C:2]1([O:3][H:10])[C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]1([H:8])([H:9])[C@:2]2([O:3][H:10])[C:4]([H:11])([H:12])[O:5][C@:6]12[H:14].[H:7][H:13],"InChI=1S/C4H8O2/c1-4(5)2-6-3-4/h5H,2-3H2,1H3","InChI=1S/C4H6O2.H2/c5-4-1-3(4)6-2-4;/h3,5H,1-2H2;1H/t3-,4+;/m1./s1",94.98501,44.70725,
7232,[C:1]([C:2]1([O:3][H:10])[C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]([C:2]([O:3][H:10])=[C:6]([H:13])[H:14])([H:7])([H:8])[H:9].[C:4](=[O:5])([H:11])[H:12],"InChI=1S/C4H8O2/c1-4(5)2-6-3-4/h5H,2-3H2,1H3","InChI=1S/C3H6O.CH2O/c1-3(2)4;1-2/h4H,1H2,2H3;1H2",59.241719999999994,1.51498,2+2_cycloaddition
7233,[C:1]([C:2]([C:3]([C:4]([C:5]([H:15])([H:16])[H:17])([C:6]([H:18])([H:19])[H:20])[H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]([C:3]([C:4]([C:5]([H:15])([H:16])[H:17])([C:6]([H:18])([H:19])[H:20])[H:14])([H:12])[H:13])[H:11])([H:7])[H:9].[H:8][H:10],"InChI=1S/C6H14/c1-4-5-6(2)3/h6H,4-5H2,1-3H3","InChI=1S/C6H12.H2/c1-4-5-6(2)3;/h4,6H,1,5H2,2-3H3;1H",109.49538999999999,29.849559999999997,
7234,[C:1]([C:2]([C:3]([C:4]([C:5]([H:15])([H:16])[H:17])([C:6]([H:18])([H:19])[H:20])[H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([C:4][C:5]([H:15])([H:16])[H:17])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9].[C:6]([H:14])([H:18])([H:19])[H:20],"InChI=1S/C6H14/c1-4-5-6(2)3/h6H,4-5H2,1-3H3","InChI=1S/C5H10.CH4/c1-3-5-4-2;/h3,5H2,1-2H3;1H4",83.53274,89.86891,
7235,[C:1]([C:2]([C:3]([C:4]([C:5]([H:15])([H:16])[H:17])([C:6]([H:18])([H:19])[H:20])[H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]([H:12])[H:13])[H:11])([H:7])([H:8])[H:9].[C:4]([C:5]([H:15])([H:16])[H:17])(=[C:6]([H:18])[H:19])[H:14].[H:10][H:20],"InChI=1S/C6H14/c1-4-5-6(2)3/h6H,4-5H2,1-3H3","InChI=1S/2C3H6.H2/c2*1-3-2;/h2*3H,1H2,2H3;1H",76.48916,50.195890000000006,
7236,[C:1]([C:2]([C:3]([C:4]([C:5]([H:15])([H:16])[H:17])([C:6]([H:18])([H:19])[H:20])[H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([C:4]([C:5]([H:15])([H:16])[H:17])=[C:6]([H:18])[H:19])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9].[H:14][H:20],"InChI=1S/C6H14/c1-4-5-6(2)3/h6H,4-5H2,1-3H3","InChI=1S/C6H12.H2/c1-4-5-6(2)3;/h2,4-5H2,1,3H3;1H",102.41984000000001,27.965220000000002,
7237,[C:1]([C:2](/[N:3]=[C:4](/[O:5][C:6]([H:13])([H:14])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([O:5][C:6]([H:13])([H:14])[H:15])([H:10])[H:11])([H:7])([H:8])[H:9].[N:3]#[C:4][H:12],"InChI=1S/C4H9NO/c1-3-5-4-6-2/h4H,3H2,1-2H3/b5-4+","InChI=1S/C3H8O.CHN/c1-3-4-2;1-2/h3H2,1-2H3;1H",79.0917,19.24314,
7238,[C:1]([C:2](/[N:3]=[C:4](/[O:5][C:6]([H:13])([H:14])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C-:2]([N:3]([C:4](=[O+:5][C:6]([H:13])([H:14])[H:15])[H:12])[H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-3-5-4-6-2/h4H,3H2,1-2H3/b5-4+","InChI=1S/C4H9NO/c1-3-5-4-6-2/h3-5H,1-2H3",71.75399,45.2492,
7239,[C:1]([C:2](/[N:3]=[C:4](/[O:5][C:6]([H:13])([H:14])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([N+:3]([C-:2]([H:10])[H:11])=[C:4]([O:5][C:6]([H:13])([H:14])[H:15])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-3-5-4-6-2/h4H,3H2,1-2H3/b5-4+","InChI=1S/C4H9NO/c1-5(2)4-6-3/h4H,1H2,2-3H3",87.98892,54.70995,
7240,[C:1]([C:2](/[N:3]=[C:4](/[O:5][C:6]([H:13])([H:14])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C@:4]([N:3]=[C:2]([H:10])[H:11])([O:5][C:6]([H:13])([H:14])[H:15])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-3-5-4-6-2/h4H,3H2,1-2H3/b5-4+","InChI=1S/C4H9NO/c1-4(5-2)6-3/h4H,2H2,1,3H3/t4-/m1/s1",101.33261999999999,14.041220000000001,
7241,[C:1]([C:2](/[N:3]=[C:4](/[O:5][C:6]([H:13])([H:14])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:12].[C:2](=[N+:3]=[C-:4][O:5][C:6]([H:13])([H:14])[H:15])([H:10])[H:11],"InChI=1S/C4H9NO/c1-3-5-4-6-2/h4H,3H2,1-2H3/b5-4+","InChI=1S/C3H5NO.CH4/c1-4-3-5-2;/h1H2,2H3;1H4",72.53853000000001,48.07982,
7242,[C:1]([C:2](/[N:3]=[C:4](/[O:5][C:6]([H:13])([H:14])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](=[N+:3]=[C-:4][O:5][C:6]([H:13])([H:14])[H:15])[H:11])([H:7])([H:8])[H:9].[H:10][H:12],"InChI=1S/C4H9NO/c1-3-5-4-6-2/h4H,3H2,1-2H3/b5-4+","InChI=1S/C4H7NO.H2/c1-3-5-4-6-2;/h3H,1-2H3;1H",61.92343,57.240719999999996,
7243,[C:1]([C:2](/[N:3]=[C:4](/[O:5][C:6]([H:13])([H:14])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([N+:3]#[C-:4])([H:10])[H:11])([H:7])([H:8])[H:9].[O:5]([C:6]([H:13])([H:14])[H:15])[H:12],"InChI=1S/C4H9NO/c1-3-5-4-6-2/h4H,3H2,1-2H3/b5-4+","InChI=1S/C3H5N.CH4O/c1-3-4-2;1-2/h3H2,1H3;2H,1H3",66.29084,30.118440000000003,
7244,[C:1]([C:2](/[N:3]=[C:4](/[O:5][C:6]([H:13])([H:14])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](/[C:2](=[N:3]/[C:4]([O:5][C:6]([H:13])([H:14])[H:15])([H:10])[H:12])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-3-5-4-6-2/h4H,3H2,1-2H3/b5-4+","InChI=1S/C4H9NO/c1-3-5-4-6-2/h3H,4H2,1-2H3/b5-3+",72.61539,11.48753,
7245,[C:1]([C:2](/[N:3]=[C:4](/[O:5][C:6]([H:13])([H:14])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([N:3]([C:4](=[O:5])[H:12])[C:6]([H:13])([H:14])[H:15])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-3-5-4-6-2/h4H,3H2,1-2H3/b5-4+","InChI=1S/C4H9NO/c1-3-5(2)4-6/h4H,3H2,1-2H3",44.10313,-16.21736,ketoenol
7246,[C:1]([C:2](/[N:3]=[C:4](/[O:5][C:6]([H:13])([H:14])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C-:2](=[N+:3]=[C:4]([O:5][C:6]([H:13])([H:14])[H:15])[H:12])[H:11].[C:1]([H:7])([H:8])([H:9])[H:10],"InChI=1S/C4H9NO/c1-3-5-4-6-2/h4H,3H2,1-2H3/b5-4+","InChI=1S/C3H5NO.CH4/c1-4-3-5-2;/h1,3H,2H3;1H4",69.4124,53.80418,
7247,[N:1]([c:2]1[n:3][o:4][n:5][c:6]1[H:9])([H:7])[H:8],[N:1]([C:2]#[N:3])([H:7])[H:8].[O-:4][N+:5]#[C:6][H:9],"InChI=1S/C2H3N3O/c3-2-1-4-6-5-2/h1H,(H2,3,5)",InChI=1S/CH2N2.CHNO/c2-1-3;1-2-3/h2H2;1H,40.938959999999994,23.65041,
7248,[N:1]([c:2]1[n:3][o:4][n:5][c:6]1[H:9])([H:7])[H:8],[N:1](=[c:2]1/[n:3]([H:7])[o:4][n:5][c:6]1[H:9])\[H:8],"InChI=1S/C2H3N3O/c3-2-1-4-6-5-2/h1H,(H2,3,5)","InChI=1S/C2H3N3O/c3-2-1-4-6-5-2/h1H,(H2,3,5)",60.92463000000001,21.33117,
7249,[N:1]([c:2]1[n:3][o:4][n:5][c:6]1[H:9])([H:7])[H:8],[N:1]([C:2]([N:3]=[O:4])=[C:6]=[N:5][H:9])([H:7])[H:8],"InChI=1S/C2H3N3O/c3-2-1-4-6-5-2/h1H,(H2,3,5)","InChI=1S/C2H3N3O/c3-1-2(4)5-6/h3H,4H2",61.4241,26.43743,
7250,[N:1]([c:2]1[n:3][o:4][n:5][c:6]1[H:9])([H:7])[H:8],[N:1]([C:2](=[N-:3])[C@@:6]1([H:9])[O+:4]=[N:5]1)([H:7])[H:8],"InChI=1S/C2H3N3O/c3-2-1-4-6-5-2/h1H,(H2,3,5)","InChI=1S/C2H3N3O/c3-1(4)2-5-6-2/h2H,(H2-,3,4)/t2-/m1/s1",86.40106999999999,68.42146,
7251,[N:1]([c:2]1[n:3][o:4][n:5][c:6]1[H:9])([H:7])[H:8],[N+:1](=[C:2]([N:3]=[O:4])[C:6](=[N-:5])[H:9])([H:7])[H:8],"InChI=1S/C2H3N3O/c3-2-1-4-6-5-2/h1H,(H2,3,5)","InChI=1S/C2H2N3O/c3-1-2(4)5-6/h1,4H/q-1/p+1",56.90456,44.39993,
7252,[N:1]([c:2]1[n:3][o:4][n:5][c:6]1[H:9])([H:7])[H:8],[N:1]([C:2]#[N+:3][O-:4])([H:7])[H:8].[N:5]#[C:6][H:9],"InChI=1S/C2H3N3O/c3-2-1-4-6-5-2/h1H,(H2,3,5)",InChI=1S/CH2N2O.CHN/c2-1-3-4;1-2/h2H2;1H,38.78655,31.226159999999997,
7253,[O:1]=[C:2]([C:3]([C@@:4]1([H:10])[C:5]([H:11])([H:12])[N:6]1[H:13])([H:8])[H:9])[H:7],[O:1]=[C:2]([C:3]([C:4][N:6]([C:5]([H:10])([H:11])[H:12])[H:13])([H:8])[H:9])[H:7],"InChI=1S/C4H7NO/c6-2-1-4-3-5-4/h2,4-5H,1,3H2/t4-/m0/s1","InChI=1S/C4H7NO/c1-5-3-2-4-6/h4-5H,2H2,1H3",66.95845,28.89205,
7254,[O:1]=[C:2]([C:3]([C@@:4]1([H:10])[C:5]([H:11])([H:12])[N:6]1[H:13])([H:8])[H:9])[H:7],[O:1]=[C:2]([C:3]([C+:4]([N:6]([C-:5]([H:11])[H:12])[H:13])[H:10])([H:8])[H:9])[H:7],"InChI=1S/C4H7NO/c6-2-1-4-3-5-4/h2,4-5H,1,3H2/t4-/m0/s1","InChI=1S/C4H7NO/c1-5-3-2-4-6/h3-5H,1-2H2",38.85802,17.68825,
7255,[O:1]=[C:2]([C:3]([C@@:4]1([H:10])[C:5]([H:11])([H:12])[N:6]1[H:13])([H:8])[H:9])[H:7],[O:1]=[C:2]([C:3]([C@@:4]1([H:10])[C-:5]([H:12])[N+:6]1([H:11])[H:13])([H:8])[H:9])[H:7],"InChI=1S/C4H7NO/c6-2-1-4-3-5-4/h2,4-5H,1,3H2/t4-/m0/s1","InChI=1S/C4H7NO/c6-2-1-4-3-5-4/h2-4H,1,5H2/t4-/m0/s1",62.19931999999999,54.580290000000005,
7256,[O:1]=[C:2]([C:3]([C@@:4]1([H:10])[C:5]([H:11])([H:12])[N:6]1[H:13])([H:8])[H:9])[H:7],[C:3](=[C:4]1[C:5]([H:11])([H:12])[N:6]1[H:13])([H:8])[H:9].[O:1]=[C:2]([H:7])[H:10],"InChI=1S/C4H7NO/c6-2-1-4-3-5-4/h2,4-5H,1,3H2/t4-/m0/s1","InChI=1S/C3H5N.CH2O/c1-3-2-4-3;1-2/h4H,1-2H2;1H2",70.59749000000001,33.23523,
7257,[O:1]=[C:2]([C:3]([C@@:4]1([H:10])[C:5]([H:11])([H:12])[N:6]1[H:13])([H:8])[H:9])[H:7],[O:1](/[C:2](=[C:3](\[C@@:4]1([H:10])[C:5]([H:11])([H:12])[N:6]1[H:13])[H:9])[H:7])[H:8],"InChI=1S/C4H7NO/c6-2-1-4-3-5-4/h2,4-5H,1,3H2/t4-/m0/s1","InChI=1S/C4H7NO/c6-2-1-4-3-5-4/h1-2,4-6H,3H2/b2-1-/t4-/m0/s1",65.27367,4.70832,ketoenol
7258,[O:1]=[C:2]([C:3]([C@@:4]1([H:10])[C:5]([H:11])([H:12])[N:6]1[H:13])([H:8])[H:9])[H:7],[C:5](=[N:6][H:13])([H:11])[H:12].[O:1]=[C:2]([C:4](=[C:3]([H:8])[H:9])[H:10])[H:7],"InChI=1S/C4H7NO/c6-2-1-4-3-5-4/h2,4-5H,1,3H2/t4-/m0/s1","InChI=1S/C3H4O.CH3N/c1-2-3-4;1-2/h2-3H,1H2;2H,1H2",61.37651999999999,4.42565,
7259,[O:1]=[C:2]([C:3]([C@@:4]1([H:10])[C:5]([H:11])([H:12])[N:6]1[H:13])([H:8])[H:9])[H:7],[O:1]=[C:2]([C:3]([C:4]([N:6]=[C:5]([H:11])[H:12])([H:10])[H:13])([H:8])[H:9])[H:7],"InChI=1S/C4H7NO/c6-2-1-4-3-5-4/h2,4-5H,1,3H2/t4-/m0/s1","InChI=1S/C4H7NO/c1-5-3-2-4-6/h4H,1-3H2",63.7237,-10.931569999999999,
7260,[O:1]=[C:2]([C:3]([C@@:4]1([H:10])[C:5]([H:11])([H:12])[N:6]1[H:13])([H:8])[H:9])[H:7],[O:1]([C:2](=[C:3]([H:8])[H:9])[H:7])[C:5](/[C:4](=[N:6]/[H:13])[H:10])([H:11])[H:12],"InChI=1S/C4H7NO/c6-2-1-4-3-5-4/h2,4-5H,1,3H2/t4-/m0/s1","InChI=1S/C4H7NO/c1-2-6-4-3-5/h2-3,5H,1,4H2/b5-3+",51.9771,-1.72901,
7261,[O:1]=[C:2]([C:3]([C@@:4]1([H:10])[C:5]([H:11])([H:12])[N:6]1[H:13])([H:8])[H:9])[H:7],[O:1]1[C@@:2]2([H:7])[C:3]([H:8])([H:9])[C@@:4]([H:10])([C:5]1([H:11])[H:12])[N:6]2[H:13],"InChI=1S/C4H7NO/c6-2-1-4-3-5-4/h2,4-5H,1,3H2/t4-/m0/s1","InChI=1S/C4H7NO/c1-3-2-6-4(1)5-3/h3-5H,1-2H2/t3-,4-/m0/s1",62.21165,9.39311,
7262,[O:1]=[C:2]([C:3]([C@@:4]1([H:10])[C:5]([H:11])([H:12])[N:6]1[H:13])([H:8])[H:9])[H:7],[O:1]=[C:2]([C:3]([C:4]([N:6]([C:5][H:11])[H:13])([H:10])[H:12])([H:8])[H:9])[H:7],"InChI=1S/C4H7NO/c6-2-1-4-3-5-4/h2,4-5H,1,3H2/t4-/m0/s1","InChI=1S/C4H7NO/c1-5-3-2-4-6/h1,4-5H,2-3H2",68.9494,32.19413,
7263,[O:1]=[C:2]([C:3]([C@@:4]1([H:10])[C:5]([H:11])([H:12])[N:6]1[H:13])([H:8])[H:9])[H:7],[O:1]=[C:2]([N:6]([C:5]([C:4](=[C:3]([H:8])[H:9])[H:10])([H:11])[H:12])[H:13])[H:7],"InChI=1S/C4H7NO/c6-2-1-4-3-5-4/h2,4-5H,1,3H2/t4-/m0/s1","InChI=1S/C4H7NO/c1-2-3-5-4-6/h2,4H,1,3H2,(H,5,6)",41.314479999999996,-24.592679999999998,
7264,[O:1]=[C:2]([C:3]([C@@:4]1([H:10])[C:5]([H:11])([H:12])[N:6]1[H:13])([H:8])[H:9])[H:7],[C:4]1([H:8])([H:10])[C:5]([H:11])([H:12])[N:6]1[H:13].[O:1]=[C:2]=[C:3]([H:7])[H:9],"InChI=1S/C4H7NO/c6-2-1-4-3-5-4/h2,4-5H,1,3H2/t4-/m0/s1","InChI=1S/C2H5N.C2H2O/c1-2-3-1;1-2-3/h3H,1-2H2;1H2",85.24037,17.9714,
7265,[O:1]=[C:2]([C:3]([C@@:4]1([H:10])[C:5]([H:11])([H:12])[N:6]1[H:13])([H:8])[H:9])[H:7],[C:4]1([H:10])=[C:5]([H:12])[N:6]1[H:13].[O:1]([C:2](=[C:3]([H:8])[H:9])[H:7])[H:11],"InChI=1S/C4H7NO/c6-2-1-4-3-5-4/h2,4-5H,1,3H2/t4-/m0/s1","InChI=1S/C2H3N.C2H4O/c1-2-3-1;1-2-3/h1-3H;2-3H,1H2",74.54003,68.17693,Retroene
7266,[O:1]=[C:2]([C:3]([C@@:4]1([H:10])[C:5]([H:11])([H:12])[N:6]1[H:13])([H:8])[H:9])[H:7],[C:5](=[N:6][H:13])([H:11])[H:12].[O+:1]1=[C:4]([H:10])[C:3]([H:8])([H:9])[C-:2]1[H:7],"InChI=1S/C4H7NO/c6-2-1-4-3-5-4/h2,4-5H,1,3H2/t4-/m0/s1","InChI=1S/C3H4O.CH3N/c1-2-4-3-1;1-2/h2-3H,1H2;2H,1H2",79.28578,78.44765,
7267,[O:1]=[C:2]([C:3]([C@@:4]1([H:10])[C:5]([H:11])([H:12])[N:6]1[H:13])([H:8])[H:9])[H:7],[O:1]([C:2](=[C:3]([H:8])[H:9])[H:7])[C@@:4]1([H:10])[C:5]([H:11])([H:12])[N:6]1[H:13],"InChI=1S/C4H7NO/c6-2-1-4-3-5-4/h2,4-5H,1,3H2/t4-/m0/s1","InChI=1S/C4H7NO/c1-2-6-4-3-5-4/h2,4-5H,1,3H2/t4-/m0/s1",74.76996,14.301,ketoenol
7268,[O:1]=[C:2]([C:3]([C@@:4]1([H:10])[C:5]([H:11])([H:12])[N:6]1[H:13])([H:8])[H:9])[H:7],[O:1]=[C:2]([C:3](/[C:4](=[N:6]/[C:5]([H:11])([H:12])[H:13])[H:10])([H:8])[H:9])[H:7],"InChI=1S/C4H7NO/c6-2-1-4-3-5-4/h2,4-5H,1,3H2/t4-/m0/s1","InChI=1S/C4H7NO/c1-5-3-2-4-6/h3-4H,2H2,1H3/b5-3+",60.88466,-13.756079999999999,
7269,[O:1]=[C:2]([C:3]([C@@:4]1([H:10])[C:5]([H:11])([H:12])[N:6]1[H:13])([H:8])[H:9])[H:7],[H:8][H:10].[O:1]=[C:2](/[C:3](=[C:4]1\[C:5]([H:11])([H:12])[N:6]1[H:13])[H:9])[H:7],"InChI=1S/C4H7NO/c6-2-1-4-3-5-4/h2,4-5H,1,3H2/t4-/m0/s1","InChI=1S/C4H5NO.H2/c6-2-1-4-3-5-4;/h1-2,5H,3H2;1H/b4-1+;",96.50778000000001,27.75572,
7270,[O:1]=[C:2]([C:3]([C@@:4]1([H:10])[C:5]([H:11])([H:12])[N:6]1[H:13])([H:8])[H:9])[H:7],[O:1]=[C:2]([C:3]([C:4][C:5]([N:6]([H:10])[H:13])([H:11])[H:12])([H:8])[H:9])[H:7],"InChI=1S/C4H7NO/c6-2-1-4-3-5-4/h2,4-5H,1,3H2/t4-/m0/s1","InChI=1S/C4H7NO/c5-3-1-2-4-6/h4H,2-3,5H2",71.0598,61.36444,
7271,[O:1]=[C:2]([C:3]([C@@:4]1([H:10])[C:5]([H:11])([H:12])[N:6]1[H:13])([H:8])[H:9])[H:7],[O:1]=[C:2]([C:3]([C:4](=[C:5]([H:11])[H:12])[H:10])([H:8])[H:9])[N:6]([H:7])[H:13],"InChI=1S/C4H7NO/c6-2-1-4-3-5-4/h2,4-5H,1,3H2/t4-/m0/s1","InChI=1S/C4H7NO/c1-2-3-4(5)6/h2H,1,3H2,(H2,5,6)",72.6471,-34.49051,
7272,[O:1]=[C:2]([C:3]([C@@:4]1([H:10])[C:5]([H:11])([H:12])[N:6]1[H:13])([H:8])[H:9])[H:7],[O:1]([C:2][C:3]([C@@:4]1([H:10])[C:5]([H:11])([H:12])[N:6]1[H:13])([H:8])[H:9])[H:7],"InChI=1S/C4H7NO/c6-2-1-4-3-5-4/h2,4-5H,1,3H2/t4-/m0/s1","InChI=1S/C4H7NO/c6-2-1-4-3-5-4/h4-6H,1,3H2/t4-/m0/s1",81.31170999999999,56.06207,
7273,[O:1]([c:2]1[n:3][n:4]([H:8])[c:5]([H:9])[c:6]1[H:10])[H:7],[O:1]([C+:6]([C:2]12[N-:3][N+:4]1([H:8])[C-:5]2[H:9])[H:10])[H:7],"InChI=1S/C3H4N2O/c6-3-1-2-4-5-3/h1-2H,(H2,4,5,6)","InChI=1S/C3H4N2O/c6-2-3-1-5(3)4-3/h1-2,5-6H",148.83794,80.45821,
7274,[O:1]([c:2]1[n:3][n:4]([H:8])[c:5]([H:9])[c:6]1[H:10])[H:7],[O:1]([C:2]1=[N:3][N+:4]([H:8])([H:9])[C-:5]=[C:6]1[H:10])[H:7],"InChI=1S/C3H4N2O/c6-3-1-2-4-5-3/h1-2H,(H2,4,5,6)","InChI=1S/C3H4N2O/c6-3-1-2-4-5-3/h1H,4H2,(H,5,6)",80.7322,66.50519,
7275,[O:1]([c:2]1[n:3][n:4]([H:8])[c:5]([H:9])[c:6]1[H:10])[H:7],[O:1]=[c:2]1[n:3]([H:7])[n:4]([H:8])[c:5]([H:9])[c:6]1[H:10],"InChI=1S/C3H4N2O/c6-3-1-2-4-5-3/h1-2H,(H2,4,5,6)","InChI=1S/C3H4N2O/c6-3-1-2-4-5-3/h1-2H,(H2,4,5,6)",43.18716,7.05519,ketoenol
7276,[O:1]([c:2]1[n:3][n:4]([H:8])[c:5]([H:9])[c:6]1[H:10])[H:7],[O:1]([C:2]1=[C+:6][C:5]([H:9])([H:10])[N:4]([H:8])[N-:3]1)[H:7],"InChI=1S/C3H4N2O/c6-3-1-2-4-5-3/h1-2H,(H2,4,5,6)","InChI=1S/C3H4N2O/c6-3-1-2-4-5-3/h4,6H,2H2",77.27293,76.28424,Singlet_Carbene_Intra_Disproportionation
7277,[O:1]([c:2]1[n:3][n:4]([H:8])[c:5]([H:9])[c:6]1[H:10])[H:7],[O:1]([c:2]1[n:3]([H:8])[n:4][c:5]([H:9])[c:6]1[H:10])[H:7],"InChI=1S/C3H4N2O/c6-3-1-2-4-5-3/h1-2H,(H2,4,5,6)","InChI=1S/C3H4N2O/c6-3-1-2-4-5-3/h1-2H,(H2,4,5,6)",44.43165,6.29031,
7278,[O:1]([c:2]1[n:3][n:4]([H:8])[c:5]([H:9])[c:6]1[H:10])[H:7],[O+:1]#[C:2][C:6](=[C:5]([N:4]([N-:3][H:7])[H:8])[H:9])[H:10],"InChI=1S/C3H4N2O/c6-3-1-2-4-5-3/h1-2H,(H2,4,5,6)","InChI=1S/C3H4N2O/c4-5-2-1-3-6/h1-2,4-5H",119.87292,37.81326,
7279,[O:1]([c:2]1[n:3][n:4]([H:8])[c:5]([H:9])[c:6]1[H:10])[H:7],[O:1]([C:2]1=[N:3][C@@:6]1(/[C:5](=[N:4]/[H:8])[H:9])[H:10])[H:7],"InChI=1S/C3H4N2O/c6-3-1-2-4-5-3/h1-2H,(H2,4,5,6)","InChI=1S/C3H4N2O/c4-1-2-3(6)5-2/h1-2,4H,(H,5,6)/b4-1+/t2-/m1/s1",69.67583,38.04163,
7280,[O:1]([c:2]1[n:3][n:4]([H:8])[c:5]([H:9])[c:6]1[H:10])[H:7],[O:1]([C:2]1=[C:6]([H:10])[C@@:5]2([H:9])[N:3]1[N:4]2[H:8])[H:7],"InChI=1S/C3H4N2O/c6-3-1-2-4-5-3/h1-2H,(H2,4,5,6)","InChI=1S/C3H4N2O/c6-3-1-2-4-5(2)3/h1-2,4,6H/t2-,5?/m1/s1",96.15517,80.18225,
7281,[O:1]([c:2]1[n:3][n:4]([H:8])[c:5]([H:9])[c:6]1[H:10])[H:7],[O:1]([C:2]1=[C:6]([H:10])[C:5]([H:8])([H:9])[N:4]=[N:3]1)[H:7],"InChI=1S/C3H4N2O/c6-3-1-2-4-5-3/h1-2H,(H2,4,5,6)","InChI=1S/C3H4N2O/c6-3-1-2-4-5-3/h1,6H,2H2",45.382020000000004,27.551920000000003,
7282,[O:1]([c:2]1[n:3][n:4]([H:8])[c:5]([H:9])[c:6]1[H:10])[H:7],[O:1]([C:2]1=[C:6]=[C:5]([H:9])[N:4]([H:8])[N:3]1[H:10])[H:7],"InChI=1S/C3H4N2O/c6-3-1-2-4-5-3/h1-2H,(H2,4,5,6)","InChI=1S/C3H4N2O/c6-3-1-2-4-5-3/h2,4-6H",101.14786,65.26818,
7283,[O:1]([c:2]1[n:3][n:4]([H:8])[c:5]([H:9])[c:6]1[H:10])[H:7],[O:1]([N:3]=[C:2]=[C:6]([C:5](=[N:4][H:8])[H:9])[H:10])[H:7],"InChI=1S/C3H4N2O/c6-3-1-2-4-5-3/h1-2H,(H2,4,5,6)","InChI=1S/C3H4N2O/c4-2-1-3-5-6/h1-2,4,6H",98.07956999999999,58.55803,
7284,[O:1]([c:2]1[n:3][n:4]([H:8])[c:5]([H:9])[c:6]1[H:10])[H:7],[O:1]([C:2](/[N:3]=[N:4]/[H:8])=[C:6]=[C:5]([H:9])[H:10])[H:7],"InChI=1S/C3H4N2O/c6-3-1-2-4-5-3/h1-2H,(H2,4,5,6)","InChI=1S/C3H4N2O/c1-2-3(6)5-4/h4,6H,1H2/b5-4+",77.29164,62.03869,
7285,[O:1]([c:2]1[n:3][n:4]([H:8])[c:5]([H:9])[c:6]1[H:10])[H:7],[O-:1][C:2]1=[N:3][N:4]([H:8])[C+:5]([H:9])[C:6]1([H:7])[H:10],"InChI=1S/C3H4N2O/c6-3-1-2-4-5-3/h1-2H,(H2,4,5,6)","InChI=1S/C3H4N2O/c6-3-1-2-4-5-3/h2,4H,1H2",67.22537,24.986179999999997,
7286,[O:1]([c:2]1[n:3][n:4]([H:8])[c:5]([H:9])[c:6]1[H:10])[H:7],[O:1]([C@@:2]1([H:10])[N-:3][N:4]([H:8])[C:5]([H:9])=[C+:6]1)[H:7],"InChI=1S/C3H4N2O/c6-3-1-2-4-5-3/h1-2H,(H2,4,5,6)","InChI=1S/C3H4N2O/c6-3-1-2-4-5-3/h2-4,6H/t3-/m1/s1",87.2136,90.50686999999999,
7287,[O:1]([c:2]1[n:3][n:4]([H:8])[c:5]([H:9])[c:6]1[H:10])[H:7],[O:1]([C:2]1=[N:3][N+:4]([H:8])=[C-:5][C:6]1([H:9])[H:10])[H:7],"InChI=1S/C3H4N2O/c6-3-1-2-4-5-3/h1-2H,(H2,4,5,6)","InChI=1S/C3H4N2O/c6-3-1-2-4-5-3/h4H,1H2,(H,5,6)",64.34447,48.17606,Singlet_Carbene_Intra_Disproportionation
7288,[C:1]1([H:7])([H:8])[O:2][C@:3]1([C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)[H:9],[C:1]1([H:7])([H:8])[O:2][C@:3]1([C:4][C:5]([O:6][H:10])([H:11])[H:12])[H:9],"InChI=1S/C4H6O2/c1-3(5-1)4-2-6-4/h3-4H,1-2H2/t3-,4-/m1/s1","InChI=1S/C4H6O2/c5-2-1-4-3-6-4/h4-5H,2-3H2/t4-/m0/s1",61.65298000000001,57.64491999999999,
7289,[C:1]1([H:7])([H:8])[O:2][C@:3]1([C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)[H:9],[C:1]([O+:2]=[C-:3][C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)([H:7])([H:8])[H:9],"InChI=1S/C4H6O2/c1-3(5-1)4-2-6-4/h3-4H,1-2H2/t3-,4-/m1/s1","InChI=1S/C4H6O2/c1-5-2-4-3-6-4/h4H,3H2,1H3/t4-/m0/s1",67.35367,37.2636,
7290,[C:1]1([H:7])([H:8])[O:2][C@:3]1([C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)[H:9],[C-:1](=[O+:2][C:3]([C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)([H:7])[H:9])[H:8],"InChI=1S/C4H6O2/c1-3(5-1)4-2-6-4/h3-4H,1-2H2/t3-,4-/m1/s1","InChI=1S/C4H6O2/c1-5-2-4-3-6-4/h1,4H,2-3H2/t4-/m0/s1",74.74077,46.26386,
7291,[C:1]1([H:7])([H:8])[O:2][C@:3]1([C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)[H:9],[C-:1]([O+:2]=[C:3]([C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)[H:9])([H:7])[H:8],"InChI=1S/C4H6O2/c1-3(5-1)4-2-6-4/h3-4H,1-2H2/t3-,4-/m1/s1","InChI=1S/C4H6O2/c1-5-2-4-3-6-4/h2,4H,1,3H2/t4-/m0/s1",47.67487,37.184090000000005,
7292,[C:1]1([H:7])([H:8])[O:2][C@:3]1([C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)[H:9],[C:1]1([H:7])([H:8])[O:2][C@:3]1([C@@:4]([C:5][H:12])([O:6][H:11])[H:10])[H:9],"InChI=1S/C4H6O2/c1-3(5-1)4-2-6-4/h3-4H,1-2H2/t3-,4-/m1/s1","InChI=1S/C4H6O2/c1-3(5)4-2-6-4/h1,3-5H,2H2/t3-,4-/m1/s1",67.9297,66.2985,
7293,[C:1]1([H:7])([H:8])[O:2][C@:3]1([C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)[H:9],[C:1]([O:2][H:10])(/[C:3](=[C:4]1\[C:5]([H:11])([H:12])[O:6]1)[H:9])([H:7])[H:8],"InChI=1S/C4H6O2/c1-3(5-1)4-2-6-4/h3-4H,1-2H2/t3-,4-/m1/s1","InChI=1S/C4H6O2/c5-2-1-4-3-6-4/h1,5H,2-3H2/b4-1+",59.847269999999995,-10.75618,
7294,[C:1]1([H:7])([H:8])[O:2][C@:3]1([C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)[H:9],[C:1]1([H:7])([H:8])[O:2]/[C:3]1=[C:4]1/[C:5]([H:11])([H:12])[O:6]1.[H:9][H:10],"InChI=1S/C4H6O2/c1-3(5-1)4-2-6-4/h3-4H,1-2H2/t3-,4-/m1/s1",InChI=1S/C4H4O2.H2/c1-3(5-1)4-2-6-4;/h1-2H2;1H/b4-3-;,111.0104,43.69133,
7295,[C:1]1([H:7])([H:8])[O:2][C@:3]1([C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)[H:9],[C:1](=[O:2])([H:7])[H:8].[C:3]1([H:9])=[C:4]([H:10])[C:5]([H:11])([H:12])[O:6]1,"InChI=1S/C4H6O2/c1-3(5-1)4-2-6-4/h3-4H,1-2H2/t3-,4-/m1/s1","InChI=1S/C3H4O.CH2O/c1-2-4-3-1;1-2/h1-2H,3H2;1H2",59.463809999999995,7.3204899999999995,
7296,[C:1]1([H:7])([H:8])[O:2][C@:3]1([C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)[H:9],[C:1]1([H:7])([H:8])[O:2][C@:4]2([H:10])[C@@:3]1([H:9])[O:6][C:5]2([H:11])[H:12],"InChI=1S/C4H6O2/c1-3(5-1)4-2-6-4/h3-4H,1-2H2/t3-,4-/m1/s1","InChI=1S/C4H6O2/c1-3-4(5-1)2-6-3/h3-4H,1-2H2/t3-,4-/m0/s1",59.451069999999994,-2.1281,
7297,[C:1]1([H:7])([H:8])[O:2][C@:3]1([C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)[H:9],[C:1]1([H:7])([H:8])[O:2][C@:3]1([C@@:4]1([H:10])[C-:5]=[O+:6]1)[H:9].[H:11][H:12],"InChI=1S/C4H6O2/c1-3(5-1)4-2-6-4/h3-4H,1-2H2/t3-,4-/m1/s1","InChI=1S/C4H4O2.H2/c1-3(5-1)4-2-6-4;/h3-4H,1H2;1H/t3-,4-;/m1./s1",80.93754,64.09543000000001,
7298,[C:1]1([H:7])([H:8])[O:2][C@:3]1([C@@:4]1([H:10])[C:5]([H:11])([H:12])[O:6]1)[H:9],[C:1]1([H:7])([H:8])[O:2][C:3]1=[C:4]([H:9])[H:10].[C:5](=[O:6])([H:11])[H:12],"InChI=1S/C4H6O2/c1-3(5-1)4-2-6-4/h3-4H,1-2H2/t3-,4-/m1/s1",InChI=1S/C3H4O.CH2O/c1-3-2-4-3;1-2/h1-2H2;1H2,72.2807,6.3591,
7299,[C:1]([C:2]([O:3][C:4]([C:5]([H:13])([H:14])[H:15])([H:11])[H:12])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([C:2]([O:3][C:4]([H:9])([H:11])[H:12])[H:10])([H:6])([H:7])[H:8].[C:5]([H:13])([H:14])[H:15],"InChI=1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3","InChI=1S/C3H7O.CH3/c1-3-4-2;/h3H,1-2H3;1H3",114.18221000000001,88.07498000000001,
7300,[C:1]([C:2]([O:3][C:4]([C:5]([H:13])([H:14])[H:15])([H:11])[H:12])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([C:2](=[O:3])[H:10])([H:6])([H:7])[H:8].[C:4](=[C:5]([H:13])[H:14])([H:11])[H:12].[H:9][H:15],"InChI=1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3","InChI=1S/C2H4O.C2H4.H2/c1-2-3;1-2;/h2H,1H3;1-2H2;1H",58.3385,32.93805,
7301,[C:1]([C:2]([O:3][C:4]([C:5]([H:13])([H:14])[H:15])([H:11])[H:12])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([C:2]([O+:3]=[C-:4][H:11])([H:9])[H:10])([H:6])([H:7])[H:8].[C:5]([H:12])([H:13])([H:14])[H:15],"InChI=1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3","InChI=1S/C3H6O.CH4/c1-3-4-2;/h2H,3H2,1H3;1H4",72.94008000000001,64.01077,
7302,[C:1]([C:2]([C:3]1([H:12])[C:4]([H:13])([H:14])[O:5][C:6]1([H:15])[H:16])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([C:4]([O+:5]=[C-:6][H:16])([H:13])[H:14])([H:12])[H:15])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-2-5-3-6-4-5/h5H,2-4H2,1H3","InChI=1S/C5H10O/c1-3-4-5-6-2/h2H,3-5H2,1H3",76.46852,45.78069,
7303,[C:1]([C:2]([C:3]1([H:12])[C:4]([H:13])([H:14])[O:5][C:6]1([H:15])[H:16])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3](=[C:6]([H:15])[H:16])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9].[C:4](=[O:5])([H:13])[H:14],"InChI=1S/C5H10O/c1-2-5-3-6-4-5/h5H,2-4H2,1H3","InChI=1S/C4H8.CH2O/c1-3-4-2;1-2/h3H,1,4H2,2H3;1H2",56.91798000000001,4.91677,2+2_cycloaddition
7304,[C:1]([C:2]([C:3]1([H:12])[C:4]([H:13])([H:14])[O:5][C:6]1([H:15])[H:16])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C@:3]([C:4]([O:5][H:16])([H:13])[H:14])([C:6][H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-2-5-3-6-4-5/h5H,2-4H2,1H3","InChI=1S/C5H10O/c1-3-5(2)4-6/h2,5-6H,3-4H2,1H3/t5-/m1/s1",73.20181,72.96024,
7305,[C:1]([C:2]([C:3]1([H:12])[C:4]([H:13])([H:14])[O:5][C:6]1([H:15])[H:16])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3](=[C:4]([H:13])[H:14])[C:6]([O:5][H:12])([H:15])[H:16])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-2-5-3-6-4-5/h5H,2-4H2,1H3","InChI=1S/C5H10O/c1-3-5(2)4-6/h6H,2-4H2,1H3",83.60361999999999,-13.635979999999998,
7306,[C:1]([C:2]([C:3]1([H:12])[C:4]([H:13])([H:14])[O:5][C:6]1([H:15])[H:16])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3][C:6]([O:5][C:4]([H:12])([H:13])[H:14])([H:15])[H:16])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-2-5-3-6-4-5/h5H,2-4H2,1H3","InChI=1S/C5H10O/c1-3-4-5-6-2/h3,5H2,1-2H3",77.90983,71.26064000000001,
7307,[C:1]([C:2]([C:3]1([H:12])[C:4]([H:13])([H:14])[O:5][C:6]1([H:15])[H:16])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]([C:3]1([H:12])[C:4]([H:13])([H:14])[O:5][C:6]1([H:15])[H:16])[H:10])([H:7])[H:8].[H:9][H:11],"InChI=1S/C5H10O/c1-2-5-3-6-4-5/h5H,2-4H2,1H3","InChI=1S/C5H8O.H2/c1-2-5-3-6-4-5;/h2,5H,1,3-4H2;1H",107.80935,31.870459999999998,
7308,[C:1]([C:2]([C:3]1([H:12])[C:4]([H:13])([H:14])[O:5][C:6]1([H:15])[H:16])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([H:10])([H:11])[H:12])([H:7])([H:8])[H:9].[C:3]1[C:4]([H:13])([H:14])[O:5][C:6]1([H:15])[H:16],"InChI=1S/C5H10O/c1-2-5-3-6-4-5/h5H,2-4H2,1H3",InChI=1S/C3H4O.C2H6/c1-2-4-3-1;1-2/h2-3H2;1-2H3,88.52901,95.89612,
7309,[C:1]1([H:7])([H:8])[C@:2]2([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C@@:5]1([H:14])[O:6]2,[C@@:1]12([H:8])[C@@:2]([H:9])([C:3]([H:10])([H:11])[C:4]([H:12])=[C:5]1[H:14])[O:6]2.[H:7][H:13],"InChI=1S/C5H8O/c1-2-5-3-4(1)6-5/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H6O.H2/c1-2-4-5(3-1)6-4;/h1-2,4-5H,3H2;1H/t4-,5+;/m0./s1",97.56347,19.97204,
7310,[C:1]1([H:7])([H:8])[C@:2]2([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C@@:5]1([H:14])[O:6]2,[C:1]([C:2](=[C:3]([H:10])[H:11])[H:9])([C:5]([C:4]([H:12])([H:13])[H:14])=[O:6])([H:7])[H:8],"InChI=1S/C5H8O/c1-2-5-3-4(1)6-5/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H8O/c1-3-4-5(2)6/h3H,1,4H2,2H3",65.21944,-23.50415,
7311,[C:1]1([H:7])([H:8])[C@:2]2([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C@@:5]1([H:14])[O:6]2,[C:1]1([H:7])([H:8])[C@@:2]([O:6][H:14])([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]1,"InChI=1S/C5H8O/c1-2-5-3-4(1)6-5/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H8O/c6-5-3-1-2-4-5/h5-6H,1,3-4H2/t5-/m1/s1",66.66715,49.509809999999995,
7312,[C:1]1([H:7])([H:8])[C@:2]2([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C@@:5]1([H:14])[O:6]2,[C:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C-:5]=[O+:6]1)([H:7])([H:8])[H:14],"InChI=1S/C5H8O/c1-2-5-3-4(1)6-5/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H8O/c1-5-3-2-4-6-5/h5H,2-3H2,1H3/t5-/m0/s1",66.25437,19.60215,
7313,[C:1]1([H:7])([H:8])[C@:2]2([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C@@:5]1([H:14])[O:6]2,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])=[C:5]1[O:6]2.[H:13][H:14],"InChI=1S/C5H8O/c1-2-5-3-4(1)6-5/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H6O.H2/c1-2-5-3-4(1)6-5;/h1,5H,2-3H2;1H/t5-;/m1./s1",110.32013,97.50354,
7314,[C:1]1([H:7])([H:8])[C@:2]2([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C@@:5]1([H:14])[O:6]2,[C:1](=[C:5]([C:4]([C:3]([C:2](=[O:6])[H:9])([H:10])[H:11])([H:12])[H:13])[H:14])([H:7])[H:8],"InChI=1S/C5H8O/c1-2-5-3-4(1)6-5/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H8O/c1-2-3-4-5-6/h2,5H,1,3-4H2",41.913090000000004,-16.23293,
7315,[C:1]1([H:7])([H:8])[C@:2]2([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C@@:5]1([H:14])[O:6]2,[C:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]([H:8])([H:14])[O:6]1)[H:7],"InChI=1S/C5H8O/c1-2-5-3-4(1)6-5/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H8O/c1-5-3-2-4-6-5/h1,5H,2-4H2/t5-/m0/s1",72.48352,64.64076999999999,
7316,[C:1]1([H:7])([H:8])[C@:2]2([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C@@:5]1([H:14])[O:6]2,[C@@:1]12([H:8])[C@@:2]([H:9])([C:3]1([H:10])[H:11])[O:6][C@:5]2([C:4]([H:7])([H:12])[H:13])[H:14],"InChI=1S/C5H8O/c1-2-5-3-4(1)6-5/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H8O/c1-3-4-2-5(4)6-3/h3-5H,2H2,1H3/t3-,4+,5+/m0/s1",113.11243,13.78054,
7317,[C:1]1([H:7])([H:8])[C@:2]2([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C@@:5]1([H:14])[O:6]2,[C:1]1([H:7])([H:8])[C@:2]([C:3]([C:4]([C:5][H:14])([H:12])[H:13])([H:10])[H:11])([H:9])[O:6]1,"InChI=1S/C5H8O/c1-2-5-3-4(1)6-5/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H8O/c1-2-3-5-4-6-5/h1,5H,2-4H2/t5-/m1/s1",94.31254,81.7303,
7318,[C:1]1([H:7])([H:8])[C@:2]2([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C@@:5]1([H:14])[O:6]2,[C:1]1([H:7])([H:8])[C:2]([O+:6]=[C-:5][H:14])([H:9])[C:3]([H:10])([H:11])[C:4]1([H:12])[H:13],"InChI=1S/C5H8O/c1-2-5-3-4(1)6-5/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H8O/c1-6-5-3-2-4-5/h1,5H,2-4H2",113.16408,53.14963,
7319,[C:1]1([H:7])([H:8])[C@:2]2([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C@@:5]1([H:14])[O:6]2,[C:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[O:6]1)([C:5][H:14])([H:7])[H:8],"InChI=1S/C5H8O/c1-2-5-3-4(1)6-5/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H8O/c1-2-5-3-4-6-5/h1,5H,2-4H2/t5-/m0/s1",105.57458000000001,87.92778,
7320,[C:1]([C:2]([C:3]([H:9])([H:10])[H:11])([C:4]([H:12])([H:13])[H:14])[C:5]([H:15])([H:16])[H:17])([H:6])([H:7])[H:8],[C:1]([C:3]([H:9])([H:10])[H:11])([H:6])([H:7])[H:8].[C:2]([C:4]([H:12])([H:13])[H:14])[C:5]([H:15])([H:16])[H:17],"InChI=1S/C5H12/c1-5(2,3)4/h1-4H3",InChI=1S/C3H6.C2H6/c1-3-2;1-2/h1-2H3;1-2H3,135.50394,95.84155,
7321,[N:1](=[C:2](/[N:3]([C:4](=[O:5])[H:9])[H:8])[H:7])\[H:6],[N:1](=[C:2](/[N+:3](=[C-:4][O:5][H:9])[H:8])[H:7])\[H:6],"InChI=1S/C2H4N2O/c3-1-4-2-5/h1-2H,(H2,3,4,5)","InChI=1S/C2H4N2O/c3-1-4-2-5/h1,3-5H/b3-1+",73.63072,38.95106,
7322,[N:1](=[C:2](/[N:3]([C:4](=[O:5])[H:9])[H:8])[H:7])\[H:6],[N:1](=[C:2]([H:7])[H:9])[H:6].[N:3](=[C:4]=[O:5])[H:8],"InChI=1S/C2H4N2O/c3-1-4-2-5/h1-2H,(H2,3,4,5)","InChI=1S/CHNO.CH3N/c2-1-3;1-2/h2H;2H,1H2",74.8006,15.287220000000001,
7323,[N:1](=[C:2](/[N:3]([C:4](=[O:5])[H:9])[H:8])[H:7])\[H:6],[N:1](=[C:2](/[O:5]/[C:4](=[N:3]/[H:8])[H:9])[H:7])\[H:6],"InChI=1S/C2H4N2O/c3-1-4-2-5/h1-2H,(H2,3,4,5)","InChI=1S/C2H4N2O/c3-1-5-2-4/h1-4H/b3-1+,4-2+",53.68976,19.15943,ketoenol
7324,[N:1](=[C:2](/[N:3]([C:4](=[O:5])[H:9])[H:8])[H:7])\[H:6],[N:1](=[C:2](/[N:3]=[C:4](/[O:5][H:8])[H:9])[H:7])\[H:6],"InChI=1S/C2H4N2O/c3-1-4-2-5/h1-2H,(H2,3,4,5)","InChI=1S/C2H4N2O/c3-1-4-2-5/h1-2H,(H2,3,4,5)",42.98896,12.37783,ketoenol
7325,[N:1](=[C:2](/[N:3]([C:4](=[O:5])[H:9])[H:8])[H:7])\[H:6],[C:4](=[O:5])([H:7])[H:9].[N:1](=[C:2]=[N:3][H:8])[H:6],"InChI=1S/C2H4N2O/c3-1-4-2-5/h1-2H,(H2,3,4,5)",InChI=1S/CH2N2.CH2O/c2-1-3;1-2/h2-3H;1H2,68.82512,30.639190000000003,
7326,[N:1](=[C:2](/[N:3]([C:4](=[O:5])[H:9])[H:8])[H:7])\[H:6],[C-:4]#[O+:5].[N:1]([C+:2]([N-:3][H:8])[H:7])([H:6])[H:9],"InChI=1S/C2H4N2O/c3-1-4-2-5/h1-2H,(H2,3,4,5)","InChI=1S/CH4N2.CO/c2-1-3;1-2/h1-2H,3H2;",39.35001,13.5755,"1,2_Insertion_CO"
7327,[N:1](=[C:2](/[N:3]([C:4](=[O:5])[H:9])[H:8])[H:7])\[H:6],[N+:1](=[C-:2][N:3]([C:4](=[O:5])[H:9])[H:8])([H:6])[H:7],"InChI=1S/C2H4N2O/c3-1-4-2-5/h1-2H,(H2,3,4,5)","InChI=1S/C2H4N2O/c3-1-4-2-5/h2H,3H2,(H,4,5)",76.0063,26.68729,
7328,[N:1](=[C:2](/[N:3]([C:4](=[O:5])[H:9])[H:8])[H:7])\[H:6],[N:1]#[C:2][H:7].[N:3](=[C:4](/[O:5][H:6])[H:9])\[H:8],"InChI=1S/C2H4N2O/c3-1-4-2-5/h1-2H,(H2,3,4,5)","InChI=1S/CH3NO.CHN/c2-1-3;1-2/h1H,(H2,2,3);1H",34.78764,22.894,Retroene
7329,[N:1](=[C:2](/[N:3]([C:4](=[O:5])[H:9])[H:8])[H:7])\[H:6],[N:1]1([H:6])[C:2]([C:4](=[O:5])[H:9])([H:7])[N:3]1[H:8],"InChI=1S/C2H4N2O/c3-1-4-2-5/h1-2H,(H2,3,4,5)",InChI=1S/C2H4N2O/c5-1-2-3-4-2/h1-4H,105.58101,69.10783,
7330,[N:1](=[C:2](/[N:3]([C:4](=[O:5])[H:9])[H:8])[H:7])\[H:6],[N:1](/[C:2](=[N:3]/[C:4](=[O:5])[H:9])[H:7])([H:6])[H:8],"InChI=1S/C2H4N2O/c3-1-4-2-5/h1-2H,(H2,3,4,5)","InChI=1S/C2H4N2O/c3-1-4-2-5/h1-2H,(H2,3,4,5)",38.28488,3.0899799999999997,
7331,[N:1](=[C:2](/[N:3]([C:4](=[O:5])[H:9])[H:8])[H:7])\[H:6],[H:6][H:7].[N:1]#[C:2][N:3]([C:4](=[O:5])[H:9])[H:8],"InChI=1S/C2H4N2O/c3-1-4-2-5/h1-2H,(H2,3,4,5)","InChI=1S/C2H2N2O.H2/c3-1-4-2-5;/h2H,(H,4,5);1H",99.5927,27.574959999999997,
7332,[N:1](=[C:2](/[N:3]([C:4](=[O:5])[H:9])[H:8])[H:7])\[H:6],[N:1]1([H:6])[C@@:2]2([H:7])[N:3]([H:8])[C@@:4]2([H:9])[O:5]1,"InChI=1S/C2H4N2O/c3-1-4-2-5/h1-2H,(H2,3,4,5)","InChI=1S/C2H4N2O/c3-1-2(3)5-4-1/h1-4H/t1-,2+/m1/s1",121.81504,96.6985,
7333,[N:1](=[C:2](/[N:3]([C:4](=[O:5])[H:9])[H:8])[H:7])\[H:6],[H:7][H:8].[N:1](=[C:2]=[N:3][C:4](=[O:5])[H:9])[H:6],"InChI=1S/C2H4N2O/c3-1-4-2-5/h1-2H,(H2,3,4,5)",InChI=1S/C2H2N2O.H2/c3-1-4-2-5;/h2-3H;1H,85.19633,30.01427,
7334,[N:1](=[C:2](/[N:3]([C:4](=[O:5])[H:9])[H:8])[H:7])\[H:6],[N:1](=[C:2])[H:6].[N:3]([C:4](=[O:5])[H:9])([H:7])[H:8],"InChI=1S/C2H4N2O/c3-1-4-2-5/h1-2H,(H2,3,4,5)","InChI=1S/CH3NO.CHN/c2-1-3;1-2/h1H,(H2,2,3);2H",74.33923,34.12038,
7335,[C:1]([c:2]1[n:3][o:4][n:5][c:6]1[H:10])([H:7])([H:8])[H:9],[C:1]([N:3]=[C:2]=[C:6]([N:5]=[O:4])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C3H4N2O/c1-3-2-4-6-5-3/h2H,1H3","InChI=1S/C3H4N2O/c1-4-2-3-5-6/h3H,1H3",72.21321,28.06427,
7336,[C:1]([c:2]1[n:3][o:4][n:5][c:6]1[H:10])([H:7])([H:8])[H:9],[C:1]([C:2]([N:3]=[O:4])=[C:6]=[N:5][H:10])([H:7])([H:8])[H:9],"InChI=1S/C3H4N2O/c1-3-2-4-6-5-3/h2H,1H3","InChI=1S/C3H4N2O/c1-3(2-4)5-6/h4H,1H3",58.18659,21.89102,
7337,[C:1]([c:2]1[n:3][o:4][n:5][c:6]1[H:10])([H:7])([H:8])[H:9],[C:1]([C:2]#[N:3])([H:7])([H:8])[H:9].[O-:4][N+:5]#[C:6][H:10],"InChI=1S/C3H4N2O/c1-3-2-4-6-5-3/h2H,1H3",InChI=1S/C2H3N.CHNO/c2*1-2-3/h1H3;1H,37.79013,19.49097,
7338,[C:1]([c:2]1[n:3][o:4][n:5][c:6]1[H:10])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([N:3]=[O:4])[N:5]=[C:6]1[H:10])([H:7])([H:8])[H:9],"InChI=1S/C3H4N2O/c1-3-2-4-6-5-3/h2H,1H3","InChI=1S/C3H4N2O/c1-3(5-6)2-4-3/h2H,1H3/t3-/m0/s1",53.47215,49.63335,ketoenol
7339,[C:1]([c:2]1[n:3][o:4][n:5][c:6]1[H:10])([H:7])([H:8])[H:9],[C:1](=[C:2]1[N:3]([H:9])[O:4][N:5]=[C:6]1[H:10])([H:7])[H:8],"InChI=1S/C3H4N2O/c1-3-2-4-6-5-3/h2H,1H3","InChI=1S/C3H4N2O/c1-3-2-4-6-5-3/h2,5H,1H2",72.01723,30.01197,
7340,[C:1]([c:2]1[n:3][o:4][n:5][c:6]1[H:10])([H:7])([H:8])[H:9],[C:1]([C:2]#[C:6][H:10])([H:7])([H:8])[H:9].[N-:3]=[O+:4][N:5],"InChI=1S/C3H4N2O/c1-3-2-4-6-5-3/h2H,1H3","InChI=1S/C3H4.N2O/c2*1-3-2/h1H,2H3;",132.1784,130.37986,
7341,[C:1]([c:2]1[n:3][o:4][n:5][c:6]1[H:10])([H:7])([H:8])[H:9],[C:1](=[C:2]1[N:3]=[O+:4][N-:5][C:6]1([H:9])[H:10])([H:7])[H:8],"InChI=1S/C3H4N2O/c1-3-2-4-6-5-3/h2H,1H3",InChI=1S/C3H4N2O/c1-3-2-4-6-5-3/h1-2H2,101.91657,55.37469,
7342,[C:1]([c:2]1[n:3][o:4][n:5][c:6]1[H:10])([H:7])([H:8])[H:9],[C:1]([C:2]#[N+:3][O-:4])([H:7])([H:8])[H:9].[N:5]#[C:6][H:10],"InChI=1S/C3H4N2O/c1-3-2-4-6-5-3/h2H,1H3",InChI=1S/C2H3NO.CHN/c1-2-3-4;1-2/h1H3;1H,37.62985,22.775779999999997,
7343,[C:1](#[C:2][C:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])[H:7],[C:1](=[C:2]=[C:3]1[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])([H:7])[H:8],"InChI=1S/C6H8/c1-2-6-4-3-5-6/h1,6H,3-5H2","InChI=1S/C6H8/c1-2-6-4-3-5-6/h1,3-5H2",69.08372,-6.02576,
7344,[C:1](#[C:2][C:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])[H:7],[C+:1](=[C:2]=[C-:3][C:6]([C:5]([C:4]([H:8])([H:9])[H:10])([H:11])[H:12])([H:13])[H:14])[H:7],"InChI=1S/C6H8/c1-2-6-4-3-5-6/h1,6H,3-5H2","InChI=1S/C6H8/c1-3-5-6-4-2/h1H,4,6H2,2H3",62.20713000000001,51.98406,
7345,[C:1](#[C:2][C:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])[H:7],[C:1](#[C:2][C@@:3]([C:4]([C:5][H:12])([H:9])[H:10])([C:6]([H:11])([H:13])[H:14])[H:8])[H:7],"InChI=1S/C6H8/c1-2-6-4-3-5-6/h1,6H,3-5H2","InChI=1S/C6H8/c1-4-6(3)5-2/h1-2,6H,4H2,3H3/t6-/m1/s1",78.78678000000001,77.38901,
7346,[C:1](#[C:2][C:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])[H:7],[C:1]1([H:7])([H:10])[C:2][C@@:3]2([H:8])[C@:4]1([H:9])[C:5]([H:11])([H:12])[C:6]2([H:13])[H:14],"InChI=1S/C6H8/c1-2-6-4-3-5-6/h1,6H,3-5H2","InChI=1S/C6H8/c1-2-6-4-3-5(1)6/h5-6H,1-3H2/t5-,6+/m1/s1",91.66960999999999,66.18045,
7347,[C:1](#[C:2][C:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])[H:7],[C:1](=[C:2])([C:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])[H:7],"InChI=1S/C6H8/c1-2-6-4-3-5-6/h1,6H,3-5H2","InChI=1S/C6H8/c1-2-6-4-3-5-6/h2,6H,3-5H2",58.94945,52.09384,Singlet_Carbene_Intra_Disproportionation
7348,[C:1](#[C:2][C:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])[H:7],[C:1]1([H:7])=[C:2]=[C:3]([H:8])[C:6]([H:13])([H:14])[C:5]([H:11])([H:12])[C:4]1([H:9])[H:10],"InChI=1S/C6H8/c1-2-6-4-3-5-6/h1,6H,3-5H2","InChI=1S/C6H8/c1-2-4-6-5-3-1/h1,5H,2,4,6H2",77.08578,-0.10315999999999999,
7349,[C:1](#[C:2][C:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])[H:7],[C-:1](=[C:2]([C+:3]1[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])[H:8])[H:7],"InChI=1S/C6H8/c1-2-6-4-3-5-6/h1,6H,3-5H2","InChI=1S/C6H8/c1-2-6-4-3-5-6/h1-2H,3-5H2",64.10736,54.54699,
7350,[C:1](#[C:2][C:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])[H:7],[C:1](=[C:2]1[C@@:3]2([H:8])[C@:4]1([H:10])[C:5]([H:11])([H:12])[C:6]2([H:13])[H:14])([H:7])[H:9],"InChI=1S/C6H8/c1-2-6-4-3-5-6/h1,6H,3-5H2","InChI=1S/C6H8/c1-4-5-2-3-6(4)5/h5-6H,1-3H2/t5-,6+",79.67288,2.60355,
7351,[C:1](#[C:2][C:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])[H:7],[C:1](#[C:2][C:3]([C:4]([C:5]([H:8])([H:11])[H:12])([H:9])[H:10])=[C:6]([H:13])[H:14])[H:7],"InChI=1S/C6H8/c1-2-6-4-3-5-6/h1,6H,3-5H2","InChI=1S/C6H8/c1-4-6(3)5-2/h1H,3,5H2,2H3",111.53955,-9.60657,
7352,[C:1]([C:2]1([H:10])[O:3][C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C@@:2]([O+:3]=[C-:4][H:11])([O:6][C:5]([H:12])([H:13])[H:14])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-4-5-2-3-6-4/h4H,2-3H2,1H3","InChI=1S/C4H8O2/c1-4(5-2)6-3/h2,4H,1,3H3/t4-/m0/s1",70.15446,64.24971,
7353,[C:1]([C:2]1([H:10])[O:3][C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C:2](=[O:6])[H:10])([H:7])([H:8])[H:9].[O:3]=[C:4]([C:5]([H:11])([H:13])[H:14])[H:12],"InChI=1S/C4H8O2/c1-4-5-2-3-6-4/h4H,2-3H2,1H3","InChI=1S/2C2H4O/c2*1-2-3/h2*2H,1H3",54.98546999999999,0.9548200000000001,
7354,[C:1]([C:2]1([H:10])[O:3][C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6]1)([H:7])([H:8])[H:9],[C:1]([O:3][C:2](=[O:6])[H:10])([H:7])([H:8])[H:9].[C:4](=[C:5]([H:13])[H:14])([H:11])[H:12],"InChI=1S/C4H8O2/c1-4-5-2-3-6-4/h4H,2-3H2,1H3","InChI=1S/C2H4O2.C2H4/c1-4-2-3;1-2/h2H,1H3;1-2H2",80.82065,10.49392,
7355,[C:1]([C:2]1([H:10])[O:3][C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]1=[O+:3][C-:4]([H:12])[C:5]([H:13])([H:14])[O:6]1)([H:7])([H:8])[H:9].[H:10][H:11],"InChI=1S/C4H8O2/c1-4-5-2-3-6-4/h4H,2-3H2,1H3","InChI=1S/C4H6O2.H2/c1-4-5-2-3-6-4;/h2H,3H2,1H3;1H",68.38548,68.86409,
7356,[C:1]([C:2]1([H:10])[O:3][C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6]1)([H:7])([H:8])[H:9],[C:1]1([H:7])([H:9])[C:2]([H:8])([H:10])[O:3][C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6]1,"InChI=1S/C4H8O2/c1-4-5-2-3-6-4/h4H,2-3H2,1H3",InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2,87.17052,12.42554,
7357,[C:1]([C:2]1([H:10])[O:3][C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6]1)([H:7])([H:8])[H:9],[C:1]([O:3][C:4]([C:5]([O+:6]=[C-:2][H:10])([H:13])[H:14])([H:11])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-4-5-2-3-6-4/h4H,2-3H2,1H3","InChI=1S/C4H8O2/c1-5-3-4-6-2/h1H,3-4H2,2H3",110.29059,76.03924,
7358,[C:1]([C:2]1([H:10])[O:3][C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]([O:3][C:4]([C:5](=[O:6])[H:13])([H:11])[H:12])([H:10])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-4-5-2-3-6-4/h4H,2-3H2,1H3","InChI=1S/C4H8O2/c1-2-6-4-3-5/h3H,2,4H2,1H3",62.01675,4.401269999999999,
7359,[C:1]([C:2]1([H:10])[O:3][C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6]1)([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:13].[C:2]1([H:10])=[O+:6][C-:5]([H:14])[C:4]([H:11])([H:12])[O:3]1,"InChI=1S/C4H8O2/c1-4-5-2-3-6-4/h4H,2-3H2,1H3","InChI=1S/C3H4O2.CH4/c1-2-5-3-4-1;/h1,3H,2H2;1H4",79.99597,63.3121,
7360,[C:1]([C:2]1([H:10])[O:3][C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[O+:3]=[C-:4][C:5]([H:13])([H:14])[O:6]1)([H:7])([H:8])[H:9].[H:11][H:12],"InChI=1S/C4H8O2/c1-4-5-2-3-6-4/h4H,2-3H2,1H3","InChI=1S/C4H6O2.H2/c1-4-5-2-3-6-4;/h4H,2H2,1H3;1H/t4-;/m1./s1",72.50413,62.39615,
7361,[C:1]([C:2]1([H:10])[O:3][C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C:2](=[O:6])[H:10])([H:7])([H:8])[H:9].[O:3]=[C:4]([C:5]([H:11])([H:13])[H:14])[H:12],"InChI=1S/C4H8O2/c1-4-5-2-3-6-4/h4H,2-3H2,1H3","InChI=1S/2C2H4O/c2*1-2-3/h2*2H,1H3",54.980140000000006,0.96357,
7362,[C:1]([C:2]1([H:10])[O:3][C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]1([H:10])[O:3][C:4]([H:11])=[C:5]([H:13])[O:6]1)([H:7])([H:8])[H:9].[H:12][H:14],"InChI=1S/C4H8O2/c1-4-5-2-3-6-4/h4H,2-3H2,1H3","InChI=1S/C4H6O2.H2/c1-4-5-2-3-6-4;/h2-4H,1H3;1H",94.6065,26.83134,
7363,[C:1]([C:2]1([H:10])[O:3][C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6]1)([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])[H:9].[C:2]1([H:10])([H:14])[O:3][C:4]([H:11])([H:12])[C:5]([H:13])[O:6]1,"InChI=1S/C4H8O2/c1-4-5-2-3-6-4/h4H,2-3H2,1H3","InChI=1S/C3H5O2.CH3/c1-2-5-3-4-1;/h1H,2-3H2;1H3",132.47767,91.24467,
7364,[C:1]([C:2]1([H:10])[O:3][C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C-:2]=[O+:3][C:4]([C:5]([O:6][H:10])([H:13])[H:14])([H:11])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-4-5-2-3-6-4/h4H,2-3H2,1H3","InChI=1S/C4H8O2/c1-2-6-4-3-5/h5H,3-4H2,1H3",68.61809000000001,58.015919999999994,
7365,[C:1]([C:2]1([H:10])[O:3][C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C@@:2]([O:3][C:4](=[C:5]([H:13])[H:14])[H:11])([O:6][H:12])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-4-5-2-3-6-4/h4H,2-3H2,1H3","InChI=1S/C4H8O2/c1-3-6-4(2)5/h3-5H,1H2,2H3/t4-/m1/s1",64.30785,-0.60629,
7366,[C:1]([C:2]1([H:10])[O:3][C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6]1)([H:7])([H:8])[H:9],[C-:2]1=[O+:3][C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6]1.[C:1]([H:7])([H:8])([H:9])[H:10],"InChI=1S/C4H8O2/c1-4-5-2-3-6-4/h4H,2-3H2,1H3",InChI=1S/C3H4O2.CH4/c1-2-5-3-4-1;/h1-2H2;1H4,67.17765,31.376820000000002,
7367,[C:1]([N:2]([C:3](=[O:4])[H:9])[H:8])([H:5])([H:6])[H:7],[C:1]([O:4]/[C:3](=[N:2]/[H:8])[H:9])([H:5])([H:6])[H:7],"InChI=1S/C2H5NO/c1-3-2-4/h2H,1H3,(H,3,4)","InChI=1S/C2H5NO/c1-4-2-3/h2-3H,1H3/b3-2+",63.178430000000006,15.31334,ketoenol
7368,[C:1]([N:2]([C:3](=[O:4])[H:9])[H:8])([H:5])([H:6])[H:7],[C:1](=[N:2][H:8])([H:5])[H:6].[C:3](=[O:4])([H:7])[H:9],"InChI=1S/C2H5NO/c1-3-2-4/h2H,1H3,(H,3,4)","InChI=1S/CH3N.CH2O/c2*1-2/h2H,1H2;1H2",80.69471,40.70673,
7369,[C:1]([N:2]([C:3](=[O:4])[H:9])[H:8])([H:5])([H:6])[H:7],[C:1]([N:2]=[C:3]=[O:4])([H:5])([H:6])[H:7].[H:8][H:9],"InChI=1S/C2H5NO/c1-3-2-4/h2H,1H3,(H,3,4)",InChI=1S/C2H3NO.H2/c1-3-2-4;/h1H3;1H,70.49757,16.73027,
7370,[C:1]([N:2]([C:3](=[O:4])[H:9])[H:8])([H:5])([H:6])[H:7],[C-:3]#[O+:4].[C:1]([N:2]([H:8])[H:9])([H:5])([H:6])[H:7],"InChI=1S/C2H5NO/c1-3-2-4/h2H,1H3,(H,3,4)","InChI=1S/CH5N.CO/c2*1-2/h2H2,1H3;",75.73066999999999,15.51711,"1,2_Insertion_CO"
7371,[C:1]([N:2]([C:3](=[O:4])[H:9])[H:8])([H:5])([H:6])[H:7],[C:1]([N:2]([H:7])[H:8])([H:5])[H:6].[C:3](=[O:4])[H:9],"InChI=1S/C2H5NO/c1-3-2-4/h2H,1H3,(H,3,4)",InChI=1S/CH4N.CHO/c2*1-2/h1-2H2;1H,94.79326,95.0135,
7372,[C:1]([N:2]([C:3](=[O:4])[H:9])[H:8])([H:5])([H:6])[H:7],[C:1](/[N:2]=[C:3](/[O:4][H:8])[H:9])([H:5])([H:6])[H:7],"InChI=1S/C2H5NO/c1-3-2-4/h2H,1H3,(H,3,4)","InChI=1S/C2H5NO/c1-3-2-4/h2H,1H3,(H,3,4)",41.00955,8.88734,ketoenol
7373,[C:1]([N:2]([C:3](=[O:4])[H:9])[H:8])([H:5])([H:6])[H:7],[C-:1]([N+:2]([C:3](=[O:4])[H:9])([H:7])[H:8])([H:5])[H:6],"InChI=1S/C2H5NO/c1-3-2-4/h2H,1H3,(H,3,4)","InChI=1S/C2H5NO/c1-3-2-4/h2H,1,3H2",93.27042,74.31508000000001,
7374,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@@:3]3([H:10])[O:4][C@:5]1([H:11])[C@@:6]23[H:12],[C:1]1([H:7])([H:8])[C@:2]([C:3](=[O:4])[H:10])([H:9])[C:6]([H:12])=[C:5]1[H:11],"InChI=1S/C5H6O/c1-2-4-3(1)6-5(2)4/h2-5H,1H2/t2-,3+,4-,5-/m1/s1","InChI=1S/C5H6O/c6-4-5-2-1-3-5/h1-2,4-5H,3H2/t5-/m0/s1",26.89793,-36.67607,
7375,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@@:3]3([H:10])[O:4][C@:5]1([H:11])[C@@:6]23[H:12],[C:1]([C@@:2]1([H:9])[C@@:3]2([H:10])[O+:4]=[C-:5][C@@:6]12[H:12])([H:7])([H:8])[H:11],"InChI=1S/C5H6O/c1-2-4-3(1)6-5(2)4/h2-5H,1H2/t2-,3+,4-,5-/m1/s1","InChI=1S/C5H6O/c1-3-4-2-6-5(3)4/h3-5H,1H3/t3-,4+,5-/m1/s1",53.42279,29.82423,
7376,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@@:3]3([H:10])[O:4][C@:5]1([H:11])[C@@:6]23[H:12],[C:1]1([H:7])([H:8])[C:2]([H:9])([H:12])[C@@:3]2([H:10])[O:4][C@:5]1([H:11])[C:6]2,"InChI=1S/C5H6O/c1-2-4-3(1)6-5(2)4/h2-5H,1H2/t2-,3+,4-,5-/m1/s1","InChI=1S/C5H6O/c1-2-5-3-4(1)6-5/h4-5H,1-2H2/t4-,5+",52.81698000000001,30.622590000000002,
7377,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@@:3]3([H:10])[O:4][C@:5]1([H:11])[C@@:6]23[H:12],[C:1]1([H:7])([H:8])[C:2]([H:9])=[C:6]([H:12])[C@:5]1([O+:4]=[C-:3][H:10])[H:11],"InChI=1S/C5H6O/c1-2-4-3(1)6-5(2)4/h2-5H,1H2/t2-,3+,4-,5-/m1/s1","InChI=1S/C5H6O/c1-6-5-3-2-4-5/h1-3,5H,4H2/t5-/m1/s1",42.5884,30.6837,
7378,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@@:3]3([H:10])[O:4][C@:5]1([H:11])[C@@:6]23[H:12],[C:1]1([H:7])([H:8])[C:2]([H:9])=[C:3]([H:10])[C@@:6]2([H:12])[O:4][C@@:5]12[H:11],"InChI=1S/C5H6O/c1-2-4-3(1)6-5(2)4/h2-5H,1H2/t2-,3+,4-,5-/m1/s1","InChI=1S/C5H6O/c1-2-4-5(3-1)6-4/h1-2,4-5H,3H2/t4-,5+/m1/s1",41.50257,-38.44746,
7379,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@@:3]3([H:10])[O:4][C@:5]1([H:11])[C@@:6]23[H:12],[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@@:3]([H:10])([O+:4]=[C-:5]1)[C:6]2([H:11])[H:12],"InChI=1S/C5H6O/c1-2-4-3(1)6-5(2)4/h2-5H,1H2/t2-,3+,4-,5-/m1/s1","InChI=1S/C5H6O/c1-2-6-5-3-4(1)5/h4-5H,1,3H2/t4-,5+/m1/s1",58.65823,3.2053,
7380,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@@:3]3([H:10])[O:4][C@:5]1([H:11])[C@@:6]23[H:12],[C:1]1([H:7])([H:8])[C@@:2]([C:6][H:12])([H:9])[C@@:3]2([H:10])[O:4][C@@:5]12[H:11],"InChI=1S/C5H6O/c1-2-4-3(1)6-5(2)4/h2-5H,1H2/t2-,3+,4-,5-/m1/s1","InChI=1S/C5H6O/c1-3-2-4-5(3)6-4/h1,3-5H,2H2/t3-,4-,5+/m0/s1",78.49851,66.65739,
7381,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@@:3]3([H:10])[O:4][C@:5]1([H:11])[C@@:6]23[H:12],[C:1](=[C:2]([C@@:3]1([H:10])[O:4][C:5]([H:11])=[C:6]1[H:12])[H:9])([H:7])[H:8],"InChI=1S/C5H6O/c1-2-4-3(1)6-5(2)4/h2-5H,1H2/t2-,3+,4-,5-/m1/s1","InChI=1S/C5H6O/c1-2-5-3-4-6-5/h2-5H,1H2/t5-/m1/s1",40.80985,-20.65265,
7382,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@@:3]3([H:10])[O:4][C@:5]1([H:11])[C@@:6]23[H:12],[C:1](=[C:2]([C:6]1([H:12])[C-:3]([H:10])[O+:4]=[C:5]1[H:11])[H:9])([H:7])[H:8],"InChI=1S/C5H6O/c1-2-4-3(1)6-5(2)4/h2-5H,1H2/t2-,3+,4-,5-/m1/s1","InChI=1S/C5H6O/c1-2-5-3-6-4-5/h2-5H,1H2",40.17175,26.30578,
7383,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@@:3]3([H:10])[O:4][C@:5]1([H:11])[C@@:6]23[H:12],[C:1]1([H:7])([H:8])[C:2][C@@:3]2([H:10])[O:4][C@:5]1([H:11])[C:6]2([H:9])[H:12],"InChI=1S/C5H6O/c1-2-4-3(1)6-5(2)4/h2-5H,1H2/t2-,3+,4-,5-/m1/s1","InChI=1S/C5H6O/c1-2-5-3-4(1)6-5/h4-5H,1,3H2/t4-,5+/m0/s1",58.73284,45.86456,
7384,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@@:3]3([H:10])[O:4][C@:5]1([H:11])[C@@:6]23[H:12],[C:1]1([H:7])([H:8])[C@:2]2([H:9])[C-:3]=[O+:4][C@@:5]1([H:11])[C:6]2([H:10])[H:12],"InChI=1S/C5H6O/c1-2-4-3(1)6-5(2)4/h2-5H,1H2/t2-,3+,4-,5-/m1/s1","InChI=1S/C5H6O/c1-4-2-5(1)6-3-4/h4-5H,1-2H2/t4-,5+",50.13422,12.26477,
7385,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@@:3]3([H:10])[O:4][C@:5]1([H:11])[C@@:6]23[H:12],[C:1]1([H:7])([H:8])[C:2][C@@:6]2([H:12])[C:3]([H:9])([H:10])[O:4][C@@:5]12[H:11],"InChI=1S/C5H6O/c1-2-4-3(1)6-5(2)4/h2-5H,1H2/t2-,3+,4-,5-/m1/s1","InChI=1S/C5H6O/c1-2-5-4(1)3-6-5/h4-5H,2-3H2/t4-,5-/m0/s1",55.44011,57.033919999999995,
7386,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@@:3]3([H:10])[O:4][C@:5]1([H:11])[C@@:6]23[H:12],[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@:3]([O:4][H:11])([H:10])[C@@:6]2([H:12])[C:5]1,"InChI=1S/C5H6O/c1-2-4-3(1)6-5(2)4/h2-5H,1H2/t2-,3+,4-,5-/m1/s1","InChI=1S/C5H6O/c6-5-3-1-2-4(3)5/h3-6H,1H2/t3-,4+,5-/m1/s1",58.45313,32.45092,
7387,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@@:3]3([H:10])[O:4][C@:5]1([H:11])[C@@:6]23[H:12],[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@:3]([O:4][H:12])([H:10])[C:6]2=[C:5]1[H:11],"InChI=1S/C5H6O/c1-2-4-3(1)6-5(2)4/h2-5H,1H2/t2-,3+,4-,5-/m1/s1","InChI=1S/C5H6O/c6-5-3-1-2-4(3)5/h1,4-6H,2H2/t4-,5+/m1/s1",100.70234,22.36843,
7388,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@@:3]3([H:10])[O:4][C@:5]1([H:11])[C@@:6]23[H:12],[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@@:3]([H:10])([O:4]1)[C@:6]2([C:5][H:11])[H:12],"InChI=1S/C5H6O/c1-2-4-3(1)6-5(2)4/h2-5H,1H2/t2-,3+,4-,5-/m1/s1","InChI=1S/C5H6O/c1-3-4-2-6-5(3)4/h1,3-5H,2H2/t3-,4+,5-/m0/s1",95.64283,80.05053000000001,
7389,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@@:3]3([H:10])[O:4][C@:5]1([H:11])[C@@:6]23[H:12],[C:1]1([H:8])=[C:2]([H:9])[C:6]2=[C:3]([H:10])[O:4][C@@:5]12[H:11].[H:7][H:12],"InChI=1S/C5H6O/c1-2-4-3(1)6-5(2)4/h2-5H,1H2/t2-,3+,4-,5-/m1/s1","InChI=1S/C5H4O.H2/c1-2-5-4(1)3-6-5;/h1-3,5H;1H/t5-;/m0./s1",90.02405,42.91565,
7390,[C:1](#[C:2][C:3]([C:4]1([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])([H:8])[H:9])[H:7],[C-:1](=[C:2]([C:3]([C@:4]1([H:10])[C:5]([H:11])([H:12])[C+:6]1[H:13])([H:8])[H:9])[H:14])[H:7],"InChI=1S/C6H8/c1-2-3-6-4-5-6/h1,6H,3-5H2","InChI=1S/C6H8/c1-2-3-6-4-5-6/h1-2,4,6H,3,5H2/t6-/m0/s1",96.63115,74.04654000000001,
7391,[C:1](#[C:2][C:3]([C:4]1([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])([H:8])[H:9])[H:7],[C:1](=[C:2]=[C:3]([C:4]1([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])[H:9])([H:7])[H:8],"InChI=1S/C6H8/c1-2-3-6-4-5-6/h1,6H,3-5H2","InChI=1S/C6H8/c1-2-3-6-4-5-6/h3,6H,1,4-5H2",79.49791,-7.1066,
7392,[C:1](#[C:2][C:3]([C:4]1([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])([H:8])[H:9])[H:7],[C:1](=[C:2]=[C:3]([H:8])[H:9])([H:7])[H:13].[C:4]1([H:10])=[C:6]([H:14])[C:5]1([H:11])[H:12],"InChI=1S/C6H8/c1-2-3-6-4-5-6/h1,6H,3-5H2","InChI=1S/2C3H4/c1-2-3-1;1-3-2/h1-2H,3H2;1-2H2",54.29184,40.59587,Retroene
7393,[C:1](#[C:2][C:3]([C:4]1([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])([H:8])[H:9])[H:7],[C:1](=[C:2])([C:3]([C:4]1([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])([H:8])[H:9])[H:7],"InChI=1S/C6H8/c1-2-3-6-4-5-6/h1,6H,3-5H2","InChI=1S/C6H8/c1-2-3-6-4-5-6/h2,6H,3-5H2",58.03165,51.59728,Singlet_Carbene_Intra_Disproportionation
7394,[C:1](#[C:2][C:3]([C:4]1([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])([H:8])[H:9])[H:7],[C:1]1([H:7])([H:13])[C:2][C:3]([H:8])([H:9])[C@:4]2([H:10])[C:5]([H:11])([H:12])[C@:6]12[H:14],"InChI=1S/C6H8/c1-2-3-6-4-5-6/h1,6H,3-5H2","InChI=1S/C6H8/c1-2-5-4-6(5)3-1/h5-6H,2-4H2/t5-,6+",69.37574000000001,42.96079,
7395,[C:1](#[C:2][C:3]([C:4]1([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])([H:8])[H:9])[H:7],[C:1]1([H:7])([H:10])[C:2][C:3]([H:8])([H:9])[C:4]12[C:5]([H:11])([H:12])[C:6]2([H:13])[H:14],"InChI=1S/C6H8/c1-2-3-6-4-5-6/h1,6H,3-5H2",InChI=1S/C6H8/c1-2-6(3-1)4-5-6/h2-5H2,91.25785,67.38201,
7396,[C:1](#[C:2][C:3]([C:4]1([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])([H:8])[H:9])[H:7],[C:1](=[C:2]=[C:3]([H:8])[H:9])([C:6]([C:4](=[C:5]([H:11])[H:12])[H:10])([H:13])[H:14])[H:7],"InChI=1S/C6H8/c1-2-3-6-4-5-6/h1,6H,3-5H2","InChI=1S/C6H8/c1-3-5-6-4-2/h3,6H,1-2,5H2",52.9566,-11.9309,
7397,[C:1](#[C:2][C:3]([C:4]1([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])([H:8])[H:9])[H:7],[C+:1](=[C:2]=[C-:3][H:9])[H:7].[C:4]1([H:8])([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14],"InChI=1S/C6H8/c1-2-3-6-4-5-6/h1,6H,3-5H2",InChI=1S/C3H6.C3H2/c1-2-3-1;1-3-2/h1-3H2;1-2H,78.77195999999999,86.41487,
7398,[C:1](#[C:2][C:3]([C:4]1([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])([H:8])[H:9])[H:7],[C:1]([C@@:2]12[C:3]([H:8])([H:9])[C@:4]1([H:10])[C:5]([H:11])([H:12])[C:6]2([H:13])[H:14])[H:7],"InChI=1S/C6H8/c1-2-3-6-4-5-6/h1,6H,3-5H2","InChI=1S/C6H8/c1-6-3-2-5(6)4-6/h1,5H,2-4H2/t5-,6+/m0/s1",77.40106999999999,56.297709999999995,
7399,[C:1](#[C:2][C:3]([C:4]1([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])([H:8])[H:9])[H:7],[C:1]1([H:7])=[C+:2][C:3]([H:8])([H:9])[C@@:4]1([C:6]([C-:5]([H:11])[H:12])([H:13])[H:14])[H:10],"InChI=1S/C6H8/c1-2-3-6-4-5-6/h1,6H,3-5H2","InChI=1S/C6H8/c1-2-6-4-3-5-6/h4,6H,1-2,5H2/t6-/m1/s1",74.49637,73.19115,
7400,[C:1](#[C:2][C:3]([C:4]1([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])([H:8])[H:9])[H:7],[C:1](=[C:2]1[C:3]([H:8])([H:9])[C:4]12[C:5]([H:11])([H:12])[C:6]2([H:13])[H:14])([H:7])[H:10],"InChI=1S/C6H8/c1-2-3-6-4-5-6/h1,6H,3-5H2",InChI=1S/C6H8/c1-5-4-6(5)2-3-6/h1-4H2,76.69955999999999,3.6696699999999995,
7401,[C:1](#[C:2][C:3]([C:4]1([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])([H:8])[H:9])[H:7],[C:1](=[C:2]1[C:3]([H:8])([H:9])[C@:4]2([H:10])[C:5]([H:11])([H:12])[C@:6]12[H:14])([H:7])[H:13],"InChI=1S/C6H8/c1-2-3-6-4-5-6/h1,6H,3-5H2","InChI=1S/C6H8/c1-4-2-5-3-6(4)5/h5-6H,1-3H2/t5-,6-/m1/s1",85.81729,-8.83565,
7402,[C:1](#[C:2][C:3]([C:4]1([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])([H:8])[H:9])[H:7],[C:1]1([H:7])=[C:2]([C:3]([C:4](=[C:5]([H:11])[H:12])[H:10])([H:8])[H:9])[C:6]1([H:13])[H:14],"InChI=1S/C6H8/c1-2-3-6-4-5-6/h1,6H,3-5H2","InChI=1S/C6H8/c1-2-3-6-4-5-6/h2,4H,1,3,5H2",65.13784,8.21818,
7403,[C:1](#[C:2][C:3]([C:4]1([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])([H:8])[H:9])[H:7],[C:1](#[C:2][C:3]([C:4][C:5]([C:6]([H:10])([H:13])[H:14])([H:11])[H:12])([H:8])[H:9])[H:7],"InChI=1S/C6H8/c1-2-3-6-4-5-6/h1,6H,3-5H2","InChI=1S/C6H8/c1-3-5-6-4-2/h1H,4-5H2,2H3",66.43843000000001,69.4626,
7404,[C:1](#[C:2][C:3]([C:4]1([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])([H:8])[H:9])[H:7],[C-:1](=[C:2]1[C:3]([H:8])([H:9])[C:4]([C+:5]([H:11])[H:12])([H:10])[C:6]1([H:13])[H:14])[H:7],"InChI=1S/C6H8/c1-2-3-6-4-5-6/h1,6H,3-5H2","InChI=1S/C6H8/c1-5-3-6(2)4-5/h1,6H,2-4H2",65.16614,69.6804,
7405,[C:1]([O:2][C:3]1([H:10])[C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]([O:2][C:3]([C:6]([O+:5]=[C-:4][H:11])([H:13])[H:14])([H:10])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-5-4-2-6-3-4/h4H,2-3H2,1H3","InChI=1S/C4H8O2/c1-5-3-4-6-2/h1H,3-4H2,2H3",72.41449,49.02388,
7406,[C:1]([O:2][C:3]1([H:10])[C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]([O:2][C@@:3]1([H:10])[C-:4]=[O+:5][C:6]1([H:13])[H:14])([H:7])([H:8])[H:9].[H:11][H:12],"InChI=1S/C4H8O2/c1-5-4-2-6-3-4/h4H,2-3H2,1H3","InChI=1S/C4H6O2.H2/c1-5-4-2-6-3-4;/h4H,2H2,1H3;1H/t4-;/m1./s1",77.42178,72.47176999999999,
7407,[C:1]([O:2][C:3]1([H:10])[C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]([O:2][C:6]([C@@:3]1([H:10])[C:4]([H:11])([H:12])[O:5]1)([H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-5-4-2-6-3-4/h4H,2-3H2,1H3","InChI=1S/C4H8O2/c1-5-2-4-3-6-4/h4H,2-3H2,1H3/t4-/m0/s1",62.679930000000006,1.1039700000000001,
7408,[C:1]([O:2][C:3]1([H:10])[C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]([O:2][C@:4]1([H:11])[C:3]([H:10])([H:12])[C:6]([H:13])([H:14])[O:5]1)([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-5-4-2-6-3-4/h4H,2-3H2,1H3","InChI=1S/C4H8O2/c1-5-4-2-3-6-4/h4H,2-3H2,1H3/t4-/m0/s1",89.83151,-6.7285699999999995,
7409,[C:1]([O:2][C:3]1([H:10])[C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]([O:2][C:3](=[C:6]([H:13])[H:14])[H:10])([H:7])([H:8])[H:9].[C:4](=[O:5])([H:11])[H:12],"InChI=1S/C4H8O2/c1-5-4-2-6-3-4/h4H,2-3H2,1H3","InChI=1S/C3H6O.CH2O/c1-3-4-2;1-2/h3H,1H2,2H3;1H2",58.84,2.52712,2+2_cycloaddition
7410,[C:1]([O:2][C:3]1([H:10])[C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:14].[O:2]=[C:3]([C@:6]1([H:13])[C:4]([H:11])([H:12])[O:5]1)[H:10],"InChI=1S/C4H8O2/c1-5-4-2-6-3-4/h4H,2-3H2,1H3","InChI=1S/C3H4O2.CH4/c4-1-3-2-5-3;/h1,3H,2H2;1H4/t3-;/m1./s1",86.84745,-5.37151,
7411,[C:1]([O:2][C:3]1([H:10])[C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]([O:5][C:6]([C@@:3]([O-:2])([C+:4]([H:11])[H:12])[H:10])([H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-5-4-2-6-3-4/h4H,2-3H2,1H3","InChI=1S/C4H8O2/c1-4(5)3-6-2/h4H,1,3H2,2H3/t4-/m0/s1",75.01255,61.25807,
7412,[C:1]([O:2][C:3]1([H:10])[C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]([O:2][C@@:3]([C:4][H:11])([C:6]([O:5][H:12])([H:13])[H:14])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-5-4-2-6-3-4/h4H,2-3H2,1H3","InChI=1S/C4H8O2/c1-4(3-5)6-2/h1,4-5H,3H2,2H3/t4-/m0/s1",70.84278,70.90371,
7413,[C:1]([O:2][C:3]1([H:10])[C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14])([H:7])([H:8])[H:9],[C-:1]([O+:2]=[C:3]1[C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14])([H:7])[H:9].[H:8][H:10],"InChI=1S/C4H8O2/c1-5-4-2-6-3-4/h4H,2-3H2,1H3",InChI=1S/C4H6O2.H2/c1-5-4-2-6-3-4;/h1-3H2;1H,67.99816,73.21800999999999,
7414,[C:1]([O:2][C:3]1([H:10])[C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14])([H:7])([H:8])[H:9],[C:1]([O:2][H:11])([H:7])([H:8])[H:9].[C:3]1([H:10])=[C:4]([H:12])[O:5][C:6]1([H:13])[H:14],"InChI=1S/C4H8O2/c1-5-4-2-6-3-4/h4H,2-3H2,1H3","InChI=1S/C3H4O.CH4O/c1-2-4-3-1;1-2/h1-2H,3H2;2H,1H3",68.32373,17.558410000000002,"1,3_Insertion_ROR"
7415,[N:1]([c:2]1[c:3]([H:9])[n:4]([H:10])[c:5]([H:11])[c:6]1[H:12])([H:7])[H:8],[N:1](=[C:2]1/[C:3]([H:7])([H:9])[N:4]([H:10])[C:5]([H:11])=[C:6]1[H:12])\[H:8],"InChI=1S/C4H6N2/c5-4-1-2-6-3-4/h1-3,6H,5H2","InChI=1S/C4H6N2/c5-4-1-2-6-3-4/h1-2,5-6H,3H2/b5-4+",65.14241,8.36925,
7416,[N:1]([c:2]1[c:3]([H:9])[n:4]([H:10])[c:5]([H:11])[c:6]1[H:12])([H:7])[H:8],[N:1]([C:2]1=[C:3]([H:9])[N:4]([H:10])[C:5][C:6]1([H:11])[H:12])([H:7])[H:8],"InChI=1S/C4H6N2/c5-4-1-2-6-3-4/h1-3,6H,5H2","InChI=1S/C4H6N2/c5-4-1-2-6-3-4/h3,6H,1,5H2",60.941309999999994,51.57142,Singlet_Carbene_Intra_Disproportionation
7417,[N:1]([c:2]1[c:3]([H:9])[n:4]([H:10])[c:5]([H:11])[c:6]1[H:12])([H:7])[H:8],[N:1]([C@:6]1([H:12])[C-:2]=[C:3]([H:9])[N:4]([H:10])[C+:5]1[H:11])([H:7])[H:8],"InChI=1S/C4H6N2/c5-4-1-2-6-3-4/h1-3,6H,5H2","InChI=1S/C4H6N2/c5-4-1-2-6-3-4/h2-4,6H,5H2/t4-/m1/s1",102.53113,82.35701999999999,
7418,[N:1]([c:2]1[c:3]([H:9])[n:4]([H:10])[c:5]([H:11])[c:6]1[H:12])([H:7])[H:8],[N:1]([C:3](=[C:2]=[C:6](/[C:5](=[N:4]/[H:10])[H:11])[H:12])[H:9])([H:7])[H:8],"InChI=1S/C4H6N2/c5-4-1-2-6-3-4/h1-3,6H,5H2","InChI=1S/C4H6N2/c5-3-1-2-4-6/h1,3-5H,6H2/b5-3+",85.47138000000001,37.65128,
7419,[N:1]([c:2]1[c:3]([H:9])[n:4]([H:10])[c:5]([H:11])[c:6]1[H:12])([H:7])[H:8],[N:1]([C:2]1=[C:3]([H:9])[N+:4]([H:10])([H:11])[C-:5]=[C:6]1[H:12])([H:7])[H:8],"InChI=1S/C4H6N2/c5-4-1-2-6-3-4/h1-3,6H,5H2","InChI=1S/C4H6N2/c5-4-1-2-6-3-4/h1,3H,5-6H2",80.07475,69.92742,
7420,[N:1]([c:2]1[c:3]([H:9])[n:4]([H:10])[c:5]([H:11])[c:6]1[H:12])([H:7])[H:8],[N:1]([C:2]1=[C:6]([H:12])[C:5]([H:10])([H:11])[N:4]=[C:3]1[H:9])([H:7])[H:8],"InChI=1S/C4H6N2/c5-4-1-2-6-3-4/h1-3,6H,5H2","InChI=1S/C4H6N2/c5-4-1-2-6-3-4/h1,3H,2,5H2",38.95551,8.97997,
7421,[N:1]([c:2]1[c:3]([H:9])[n:4]([H:10])[c:5]([H:11])[c:6]1[H:12])([H:7])[H:8],[N:1]([C:2]1=[C:6]([H:12])[C:5]([H:11])=[N:4][C:3]1([H:9])[H:10])([H:7])[H:8],"InChI=1S/C4H6N2/c5-4-1-2-6-3-4/h1-3,6H,5H2","InChI=1S/C4H6N2/c5-4-1-2-6-3-4/h1-2H,3,5H2",39.858909999999995,5.9271,
7422,[N:1]([c:2]1[c:3]([H:9])[n:4]([H:10])[c:5]([H:11])[c:6]1[H:12])([H:7])[H:8],[N:1]([C:2]1=[C-:3][N+:4]([H:9])([H:10])[C:5]([H:11])=[C:6]1[H:12])([H:7])[H:8],"InChI=1S/C4H6N2/c5-4-1-2-6-3-4/h1-3,6H,5H2","InChI=1S/C4H6N2/c5-4-1-2-6-3-4/h1-2H,5-6H2",82.08236,75.77456,
7423,[N:1]([c:2]1[c:3]([H:9])[n:4]([H:10])[c:5]([H:11])[c:6]1[H:12])([H:7])[H:8],[N:1]([C:2]1=[C-:6][C:5]([H:11])([H:12])[N:4]([H:10])[C+:3]1[H:9])([H:7])[H:8],"InChI=1S/C4H6N2/c5-4-1-2-6-3-4/h1-3,6H,5H2","InChI=1S/C4H6N2/c5-4-1-2-6-3-4/h3,6H,2,5H2",67.97321,64.4317,Singlet_Carbene_Intra_Disproportionation
7424,[N:1]([c:2]1[c:3]([H:9])[n:4]([H:10])[c:5]([H:11])[c:6]1[H:12])([H:7])[H:8],[N-:1]([C:2]1=[C:3]([H:9])[N:4]([H:10])[C+:5]([H:11])[C:6]1([H:7])[H:12])[H:8],"InChI=1S/C4H6N2/c5-4-1-2-6-3-4/h1-3,6H,5H2","InChI=1S/C4H6N2/c5-4-1-2-6-3-4/h2-3,5-6H,1H2",74.38641,34.79634,
7425,[N:1]([c:2]1[c:3]([H:9])[n:4]([H:10])[c:5]([H:11])[c:6]1[H:12])([H:7])[H:8],[N:1]([C:2]1=[C:3]([H:9])[C@@:6]1(/[C:5](=[N:4]/[H:10])[H:11])[H:12])([H:7])[H:8],"InChI=1S/C4H6N2/c5-4-1-2-6-3-4/h1-3,6H,5H2","InChI=1S/C4H6N2/c5-2-3-1-4(3)6/h1-3,5H,6H2/b5-2+/t3-/m1/s1",82.34533,53.4097,
7426,[N:1]([c:2]1[c:3]([H:9])[n:4]([H:10])[c:5]([H:11])[c:6]1[H:12])([H:7])[H:8],[N+:1]([C:2]1=[C:6]=[C:5]([H:11])[N:4]([H:10])[C-:3]1[H:9])([H:7])([H:8])[H:12],"InChI=1S/C4H6N2/c5-4-1-2-6-3-4/h1-3,6H,5H2","InChI=1S/C4H5N2/c5-4-1-2-6-3-4/h2-3,6H,5H2/q-1/p+1",76.56658,76.85651999999999,
7427,[N:1]([c:2]1[c:3]([H:9])[n:4]([H:10])[c:5]([H:11])[c:6]1[H:12])([H:7])[H:8],[N:1]([C:2](/[C:3](=[N:4]/[H:10])[H:9])=[C:6](/[C:5][H:11])[H:12])([H:7])[H:8],"InChI=1S/C4H6N2/c5-4-1-2-6-3-4/h1-3,6H,5H2","InChI=1S/C4H6N2/c1-2-4(6)3-5/h1-3,5H,6H2/b4-2+,5-3+",83.85112,72.99108000000001,
7428,[N:1]([c:2]1[c:3]([H:9])[n:4]([H:10])[c:5]([H:11])[c:6]1[H:12])([H:7])[H:8],[N:1]([C@:2]1([H:9])[C:3][N:4]([H:10])[C:5]([H:11])=[C:6]1[H:12])([H:7])[H:8],"InChI=1S/C4H6N2/c5-4-1-2-6-3-4/h1-3,6H,5H2","InChI=1S/C4H6N2/c5-4-1-2-6-3-4/h1-2,4,6H,5H2/t4-/m0/s1",60.600030000000004,62.53536999999999,Singlet_Carbene_Intra_Disproportionation
7429,[N:1]([c:2]1[c:3]([H:9])[n:4]([H:10])[c:5]([H:11])[c:6]1[H:12])([H:7])[H:8],[N:1]([C:2]1=[C+:3][N:4]([H:10])[C-:5]([H:11])[C:6]1([H:9])[H:12])([H:7])[H:8],"InChI=1S/C4H6N2/c5-4-1-2-6-3-4/h1-3,6H,5H2","InChI=1S/C4H6N2/c5-4-1-2-6-3-4/h2,6H,1,5H2",77.18406999999999,65.41714,
7430,[N:1]([c:2]1[c:3]([H:9])[n:4]([H:10])[c:5]([H:11])[c:6]1[H:12])([H:7])[H:8],[N:1]([C:2]=[C:3](/[N+:4](=[C:5](\[C-:6][H:12])[H:11])[H:10])[H:9])([H:7])[H:8],"InChI=1S/C4H6N2/c5-4-1-2-6-3-4/h1-3,6H,5H2","InChI=1S/C4H5N2/c1-2-6-4-3-5/h1-2,4H,5H2/q-1/p+1",95.71887,100.20011,
7431,[N:1]([c:2]1[c:3]([H:9])[n:4]([H:10])[c:5]([H:11])[c:6]1[H:12])([H:7])[H:8],[N:1]([C:2]1=[C:6]=[C:5]([H:11])[N:4]([H:10])[C:3]1([H:9])[H:12])([H:7])[H:8],"InChI=1S/C4H6N2/c5-4-1-2-6-3-4/h1-3,6H,5H2","InChI=1S/C4H6N2/c5-4-1-2-6-3-4/h2,6H,3,5H2",85.20488,51.00747,
7432,[N:1]([c:2]1[c:3]([H:9])[n:4]([H:10])[c:5]([H:11])[c:6]1[H:12])([H:7])[H:8],[N:1]([C:2]1=[C:3]([H:9])[N:4]=[C:5]([H:11])[C:6]1([H:10])[H:12])([H:7])[H:8],"InChI=1S/C4H6N2/c5-4-1-2-6-3-4/h1-3,6H,5H2","InChI=1S/C4H6N2/c5-4-1-2-6-3-4/h2-3H,1,5H2",39.21856,11.25612,
7433,[N:1]([c:2]1[c:3]([H:9])[n:4]([H:10])[c:5]([H:11])[c:6]1[H:12])([H:7])[H:8],[N:1]([C:2](/[C:3](=[N:4]/[H:10])[H:9])=[C:6]=[C:5]([H:11])[H:12])([H:7])[H:8],"InChI=1S/C4H6N2/c5-4-1-2-6-3-4/h1-3,6H,5H2","InChI=1S/C4H6N2/c1-2-4(6)3-5/h3,5H,1,6H2/b5-3+",99.97567,37.29137,
7434,[N:1]([c:2]1[c:3]([H:9])[n:4]([H:10])[c:5]([H:11])[c:6]1[H:12])([H:7])[H:8],[H:8][H:12].[N-:1]([C:2]1=[C:6]=[C:5]([H:11])[N:4]([H:10])[C+:3]1[H:9])[H:7],"InChI=1S/C4H6N2/c5-4-1-2-6-3-4/h1-3,6H,5H2","InChI=1S/C4H4N2.H2/c5-4-1-2-6-3-4;/h2-3,5-6H;1H",105.16356999999999,104.60045,
7435,[N:1]([c:2]1[c:3]([H:9])[n:4]([H:10])[c:5]([H:11])[c:6]1[H:12])([H:7])[H:8],[N:1]([C-:2][C:6]1([H:12])[C+:3]([H:9])[N:4]([H:10])[C:5]1[H:11])([H:7])[H:8],"InChI=1S/C4H6N2/c5-4-1-2-6-3-4/h1-3,6H,5H2","InChI=1S/C4H6N2/c5-1-4-2-6-3-4/h2-4,6H,5H2",121.0139,119.17918,
7436,[N:1]([c:2]1[c:3]([H:9])[n:4]([H:10])[c:5]([H:11])[c:6]1[H:12])([H:7])[H:8],[N+:1]([c:2]1[c-:3][n:4]([H:10])[c:5]([H:11])[c:6]1[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H6N2/c5-4-1-2-6-3-4/h1-3,6H,5H2","InChI=1S/C4H5N2/c5-4-1-2-6-3-4/h1-2,6H,5H2/q-1/p+1",69.3146,66.81853000000001,
7437,[N:1]([c:2]1[c:3]([H:9])[n:4]([H:10])[c:5]([H:11])[c:6]1[H:12])([H:7])[H:8],[N+:1]1([H:7])([H:8])[C-:2]=[C:3]([H:9])[N:4]([H:10])[C:5]([H:11])=[C:6]1[H:12],"InChI=1S/C4H6N2/c5-4-1-2-6-3-4/h1-3,6H,5H2","InChI=1S/C4H6N2/c1-2-6-4-3-5-1/h1-3,5H,6H2",100.37652,80.77292,
7438,[O:1]([C:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])=[C:5]([H:12])[C:6]1([H:13])[H:14])[H:7],[C:2]1([H:8])=[C:6]([H:13])[C:5]([H:12])=[C:4]([H:11])[C:3]1([H:9])[H:10].[O:1]([H:7])[H:14],"InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1-2,5-6H,3-4H2","InChI=1S/C5H6.H2O/c1-2-4-5-3-1;/h1-4H,5H2;1H2",55.76563,7.927980000000001,"1,3_Insertion_ROR"
7439,[O:1]([C:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])=[C:5]([H:12])[C:6]1([H:13])[H:14])[H:7],[H:9][H:14].[O:1]([C:2]1([H:8])[C:3]([H:10])=[C:4]([H:11])[C:5]([H:12])=[C:6]1[H:13])[H:7],"InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1-2,5-6H,3-4H2",InChI=1S/C5H6O.H2/c6-5-3-1-2-4-5;/h1-6H;1H,50.1593,29.477970000000003,
7440,[O:1]([C:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])=[C:5]([H:12])[C:6]1([H:13])[H:14])[H:7],[O:1]([C+:2]1[C:3]([H:9])([H:10])[C-:4]([H:11])[C:5]([H:8])([H:12])[C:6]1([H:13])[H:14])[H:7],"InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1-2,5-6H,3-4H2","InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1,6H,2-4H2",74.78199000000001,77.04057,
7441,[O:1]([C:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])=[C:5]([H:12])[C:6]1([H:13])[H:14])[H:7],[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@@:4]1([C:5](=[C:6]([H:13])[H:14])[H:12])[H:11])[H:7],"InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1-2,5-6H,3-4H2","InChI=1S/C5H8O/c1-2-4-3-5(4)6/h2,4-6H,1,3H2/t4-,5-/m0/s1",61.572109999999995,25.21622,
7442,[O:1]([C:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])=[C:5]([H:12])[C:6]1([H:13])[H:14])[H:7],[O:1]=[C:2]([C:3]([C:4]([C:5](=[C:6]([H:13])[H:14])[H:12])([H:7])[H:11])([H:9])[H:10])[H:8],"InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1-2,5-6H,3-4H2","InChI=1S/C5H8O/c1-2-3-4-5-6/h2,5H,1,3-4H2",51.01101,6.68893,
7443,[O:1]([C:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])=[C:5]([H:12])[C:6]1([H:13])[H:14])[H:7],[C@@:2]12([H:8])[C:3]([H:9])([H:10])[C:4]1=[C:5]([H:12])[C:6]2([H:13])[H:14].[O:1]([H:7])[H:11],"InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1-2,5-6H,3-4H2","InChI=1S/C5H6.H2O/c1-2-5-3-4(1)5;/h1,5H,2-3H2;1H2/t5-;/m1./s1",101.7094,87.5361,
7444,[O:1]([C:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])=[C:5]([H:12])[C:6]1([H:13])[H:14])[H:7],[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:13])[C:5]([H:12])=[C:6]1[H:14])[H:7],"InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1-2,5-6H,3-4H2","InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1,3,5-6H,2,4H2/t5-/m1/s1",73.97909,0.23855,
7445,[O:1]([C:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])=[C:5]([H:12])[C:6]1([H:13])[H:14])[H:7],[O:1]([C:2][C:6](/[C:5](=[C:4](\[C:3]([H:8])([H:9])[H:10])[H:11])[H:12])([H:13])[H:14])[H:7],"InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1-2,5-6H,3-4H2","InChI=1S/C5H8O/c1-2-3-4-5-6/h2-3,6H,4H2,1H3/b3-2-",66.02431999999999,54.441430000000004,
7446,[O:1]([C:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])=[C:5]([H:12])[C:6]1([H:13])[H:14])[H:7],[H:7][H:9].[O:1]=[C:2](/[C:3](=[C:4](\[C:5](=[C:6]([H:13])[H:14])[H:12])[H:11])[H:10])[H:8],"InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1-2,5-6H,3-4H2","InChI=1S/C5H6O.H2/c1-2-3-4-5-6;/h2-5H,1H2;1H/b4-3-;",75.45919,30.77825,
7447,[O:1]([C:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])=[C:5]([H:12])[C:6]1([H:13])[H:14])[H:7],[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5][C:6]1([H:13])[H:14])[H:7],"InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1-2,5-6H,3-4H2","InChI=1S/C5H8O/c6-5-3-1-2-4-5/h5-6H,1,3-4H2/t5-/m0/s1",70.80538,72.84629,Singlet_Carbene_Intra_Disproportionation
7448,[O:1]([C:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])=[C:5]([H:12])[C:6]1([H:13])[H:14])[H:7],[O:1]([C:3](/[C:4](=[C:5](\[C:6]([C:2][H:8])([H:13])[H:14])[H:12])[H:11])([H:9])[H:10])[H:7],"InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1-2,5-6H,3-4H2","InChI=1S/C5H8O/c1-2-3-4-5-6/h1,3-4,6H,2,5H2/b4-3-",104.71374,92.025,
7449,[O:1]([C:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])=[C:5]([H:12])[C:6]1([H:13])[H:14])[H:7],[O:1]([C:2]([C:3]([C:4](=[C:5]=[C:6]([H:13])[H:14])[H:11])([H:9])[H:10])([H:8])[H:12])[H:7],"InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1-2,5-6H,3-4H2","InChI=1S/C5H8O/c1-2-3-4-5-6/h3,6H,1,4-5H2",122.76171000000001,25.43975,
7450,[O:1]([C:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])=[C:5]([H:12])[C:6]1([H:13])[H:14])[H:7],[H:8][H:10].[O:1]([C:2]1=[C:3]([H:9])[C:4]([H:11])=[C:5]([H:12])[C:6]1([H:13])[H:14])[H:7],"InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1-2,5-6H,3-4H2","InChI=1S/C5H6O.H2/c6-5-3-1-2-4-5;/h1-3,6H,4H2;1H",95.56015,19.53625,
7451,[O:1]([C:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])=[C:5]([H:12])[C:6]1([H:13])[H:14])[H:7],[C:3]1([H:9])([H:10])[C:4]([H:11])=[C:5]1[H:12].[O:1]([C:2](=[C:6]([H:13])[H:14])[H:8])[H:7],"InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1-2,5-6H,3-4H2","InChI=1S/C3H4.C2H4O/c1-2-3-1;1-2-3/h1-2H,3H2;2-3H,1H2",93.83955999999999,64.29075,
7452,[O:1]([C:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])=[C:5]([H:12])[C:6]1([H:13])[H:14])[H:7],[H:8][H:12].[O:1]([C+:2]1[C:3]([H:9])([H:10])[C:4]([H:11])=[C-:5][C:6]1([H:13])[H:14])[H:7],"InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1-2,5-6H,3-4H2","InChI=1S/C5H6O.H2/c6-5-3-1-2-4-5;/h1,6H,3-4H2;1H",114.26557,98.66805,
7453,[O:1]([C:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])=[C:5]([H:12])[C:6]1([H:13])[H:14])[H:7],[O:1]([C@@:2]([C:3]([H:9])([H:10])[H:11])([C:6]([C:5](=[C:4])[H:12])([H:13])[H:14])[H:8])[H:7],"InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1-2,5-6H,3-4H2","InChI=1S/C5H8O/c1-3-4-5(2)6/h3,5-6H,4H2,2H3/t5-/m0/s1",78.63006,79.4168,
7454,[O:1]([C@@:2]([C:3]#[C:4][H:9])([C:5]#[N:6])[H:8])[H:7],[O:1]([C:5]1=[N:6][C@@:2]1([C:3]#[C:4][H:9])[H:8])[H:7],"InChI=1S/C4H3NO/c1-2-4(6)3-5/h1,4,6H/t4-/m0/s1","InChI=1S/C4H3NO/c1-2-3-4(6)5-3/h1,3H,(H,5,6)/t3-/m1/s1",63.48899,20.30913,
7455,[O:1]([C@@:2]([C:3]#[C:4][H:9])([C:5]#[N:6])[H:8])[H:7],[O:1]([C:2](=[C:3]=[C:4]([N+:6]#[C-:5])[H:9])[H:8])[H:7],"InChI=1S/C4H3NO/c1-2-4(6)3-5/h1,4,6H/t4-/m0/s1","InChI=1S/C4H3NO/c1-5-3-2-4-6/h3-4,6H",66.31175,9.941880000000001,
7456,[O:1]([C@@:2]([C:3]#[C:4][H:9])([C:5]#[N:6])[H:8])[H:7],[C:5]=[N:6][H:7].[O:1]=[C:2]([C:3]#[C:4][H:9])[H:8],"InChI=1S/C4H3NO/c1-2-4(6)3-5/h1,4,6H/t4-/m0/s1","InChI=1S/C3H2O.CHN/c1-2-3-4;1-2/h1,3H;2H",55.387890000000006,33.05746,
7457,[O:1]([C@@:2]([C:3]#[C:4][H:9])([C:5]#[N:6])[H:8])[H:7],[O:1]([C:4](=[C:3]=[C:2]([C:5]#[N:6])[H:8])[H:9])[H:7],"InChI=1S/C4H3NO/c1-2-4(6)3-5/h1,4,6H/t4-/m0/s1","InChI=1S/C4H3NO/c5-3-1-2-4-6/h1,4,6H",57.60422,-13.17617,
7458,[O:1]([C@@:2]([C:3]#[C:4][H:9])([C:5]#[N:6])[H:8])[H:7],[O:1]([C:2](=[C:5]=[N:6][C:3]#[C:4][H:9])[H:8])[H:7],"InChI=1S/C4H3NO/c1-2-4(6)3-5/h1,4,6H/t4-/m0/s1","InChI=1S/C4H3NO/c1-2-5-3-4-6/h1,4,6H",92.45336,24.01267,
7459,[O:1]([C@@:2]([C:3]#[C:4][H:9])([C:5]#[N:6])[H:8])[H:7],[O:1]([C@@:2]([C:4](=[C:3])[H:9])([C:5]#[N:6])[H:8])[H:7],"InChI=1S/C4H3NO/c1-2-4(6)3-5/h1,4,6H/t4-/m0/s1","InChI=1S/C4H3NO/c1-2-4(6)3-5/h2,4,6H/t4-/m0/s1",53.59585,50.22759,Singlet_Carbene_Intra_Disproportionation
7460,[O:1]([C@@:2]([C:3]#[C:4][H:9])([C:5]#[N:6])[H:8])[H:7],[O:1]([C@@:2]([C:3]#[C:4][H:9])([N+:6]#[C-:5])[H:8])[H:7],"InChI=1S/C4H3NO/c1-2-4(6)3-5/h1,4,6H/t4-/m0/s1","InChI=1S/C4H3NO/c1-3-4(6)5-2/h1,4,6H/t4-/m0/s1",49.54002,22.192420000000002,
7461,[O:1]([C@@:2]([C:3]#[C:4][H:9])([C:5]#[N:6])[H:8])[H:7],[O:1]([C:2]([C:3]#[C:4][H:9])=[C:5]=[N:6][H:8])[H:7],"InChI=1S/C4H3NO/c1-2-4(6)3-5/h1,4,6H/t4-/m0/s1","InChI=1S/C4H3NO/c1-2-4(6)3-5/h1,5-6H",68.4696,12.13228,
7462,[O:1]([C@@:2]([C:3]#[C:4][H:9])([C:5]#[N:6])[H:8])[H:7],[O:1]([C:2](=[C:3]=[C:4]([H:8])[H:9])[C:5]#[N:6])[H:7],"InChI=1S/C4H3NO/c1-2-4(6)3-5/h1,4,6H/t4-/m0/s1","InChI=1S/C4H3NO/c1-2-4(6)3-5/h6H,1H2",55.66542,-13.4424,
7463,[O:1]([C@@:2]([C:3]#[C:4][H:9])([C:5]#[N:6])[H:8])[H:7],[O:1]([C:3]1=[C:4]([H:9])[C@:2]1([C:5]#[N:6])[H:8])[H:7],"InChI=1S/C4H3NO/c1-2-4(6)3-5/h1,4,6H/t4-/m0/s1","InChI=1S/C4H3NO/c5-2-3-1-4(3)6/h1,3,6H/t3-/m0/s1",66.19360999999999,1.18794,
7464,[O:1]([C@@:2]([C:3]#[C:4][H:9])([C:5]#[N:6])[H:8])[H:7],[C:5]=[N:6][H:8].[O:1]([C-:2]=[C:3]=[C+:4][H:9])[H:7],"InChI=1S/C4H3NO/c1-2-4(6)3-5/h1,4,6H/t4-/m0/s1","InChI=1S/C3H2O.CHN/c1-2-3-4;1-2/h1,4H;2H",63.809630000000006,81.55925,
7465,[C:1]([C@@:2]1([C:5]#[N:6])[C:3]([H:10])([H:11])[O:4]1)([H:7])([H:8])[H:9],[C:1]([C@@:2]([C:3][H:10])([O:4][H:11])[C:5]#[N:6])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-4(2-5)3-6-4/h3H2,1H3/t4-/m1/s1","InChI=1S/C4H5NO/c1-4(2,6)3-5/h1,6H,2H3/t4-/m1/s1",70.0612,67.57214,
7466,[C:1]([C@@:2]1([C:5]#[N:6])[C:3]([H:10])([H:11])[O:4]1)([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([C:5]#[N:6])([H:10])[H:11])=[O:4])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-4(2-5)3-6-4/h3H2,1H3/t4-/m1/s1","InChI=1S/C4H5NO/c1-4(6)2-3-5/h2H2,1H3",61.09235,-27.93095,
7467,[C:1]([C@@:2]1([C:5]#[N:6])[C:3]([H:10])([H:11])[O:4]1)([H:7])([H:8])[H:9],[C:1]([C@@:2]1([C-:5]=[N:6][H:11])[C:3]([H:10])=[O+:4]1)([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-4(2-5)3-6-4/h3H2,1H3/t4-/m1/s1","InChI=1S/C4H5NO/c1-4(2-5)3-6-4/h3,5H,1H3/t4-/m1/s1",125.02068,74.04519,
7468,[C:1]([C@@:2]1([C:5]#[N:6])[C:3]([H:10])([H:11])[O:4]1)([H:7])([H:8])[H:9],[C:1]([C:2]1=[O+:4][C:3]([H:10])([H:11])[C:5]1=[N-:6])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-4(2-5)3-6-4/h3H2,1H3/t4-/m1/s1","InChI=1S/C4H5NO/c1-3-4(5)2-6-3/h2H2,1H3",55.36323,52.73058,
7469,[C:1]([C@@:2]1([C:5]#[N:6])[C:3]([H:10])([H:11])[O:4]1)([H:7])([H:8])[H:9],[C:1]([C:2]1=[C:5]=[N:6][C:3]([H:10])([H:11])[O:4]1)([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-4(2-5)3-6-4/h3H2,1H3/t4-/m1/s1","InChI=1S/C4H5NO/c1-4-2-5-3-6-4/h3H2,1H3",85.42671,43.99986,
7470,[C:1]([C@@:2]1([C:5]#[N:6])[C:3]([H:10])([H:11])[O:4]1)([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]([H:10])[H:11])[C:5]#[N+:6][O-:4])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-4(2-5)3-6-4/h3H2,1H3/t4-/m1/s1","InChI=1S/C4H5NO/c1-4(2)3-5-6/h1H2,2H3",80.88475,24.579,
7471,[C:1]([C@@:2]1([C:5]#[N:6])[C:3]([H:10])([H:11])[O:4]1)([H:7])([H:8])[H:9],[C:1]([N:6]=[C:5]=[C:2]1[C:3]([H:10])([H:11])[O:4]1)([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-4(2-5)3-6-4/h3H2,1H3/t4-/m1/s1","InChI=1S/C4H5NO/c1-5-2-4-3-6-4/h3H2,1H3",91.5745,40.71027,
7472,[C:1]([C@@:2]1([C:5]#[N:6])[C:3]([H:10])([H:11])[O:4]1)([H:7])([H:8])[H:9],[C:1]([C:2]([O+:4]=[C:3]([H:10])[H:11])=[C:5]=[N-:6])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-4(2-5)3-6-4/h3H2,1H3/t4-/m1/s1","InChI=1S/C4H5NO/c1-4(3-5)6-2/h2H2,1H3",42.86238,26.3793,
7473,[C:1]([C@@:2]1([C:5]#[N:6])[C:3]([H:10])([H:11])[O:4]1)([H:7])([H:8])[H:9],[C:1]([C:2][C:3]([O:4][C:5]#[N:6])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-4(2-5)3-6-4/h3H2,1H3/t4-/m1/s1","InChI=1S/C4H5NO/c1-2-3-6-4-5/h3H2,1H3",79.28809,75.29292,
7474,[C:1]([C@@:2]1([C:5]#[N:6])[C:3]([H:10])([H:11])[O:4]1)([H:7])([H:8])[H:9],[C:1]([C@@:2]1([N+:6]#[C-:5])[C:3]([H:10])([H:11])[O:4]1)([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-4(2-5)3-6-4/h3H2,1H3/t4-/m1/s1","InChI=1S/C4H5NO/c1-4(5-2)3-6-4/h3H2,1H3/t4-/m0/s1",54.61452,22.44718,
7475,[C:1]([C@@:2]1([C:5]#[N:6])[C:3]([H:10])([H:11])[O:4]1)([H:7])([H:8])[H:9],[C:1]([C:3]([O+:4]=[C:2]=[C:5]=[N-:6])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-4(2-5)3-6-4/h3H2,1H3/t4-/m1/s1","InChI=1S/C4H5NO/c1-2-6-4-3-5/h2H2,1H3",92.7098,34.6802,
7476,[C:1]([C@@:2]1([C:5]#[N:6])[C:3]([H:10])([H:11])[O:4]1)([H:7])([H:8])[H:9],[C:1]([C@@:2]12[C@@:3]([H:11])([O:4]1)[N:6]([H:10])[C:5]2)([H:7])([H:8])[H:9],"InChI=1S/C4H5NO/c1-4(2-5)3-6-4/h3H2,1H3/t4-/m1/s1","InChI=1S/C4H5NO/c1-4-2-5-3(4)6-4/h3,5H,1H3/t3-,4-/m1/s1",102.98299,77.86874,
7477,[C:1]([O:2][C:3](=[O:4])[C:5](=[O:6])[H:10])([H:7])([H:8])[H:9],[C:1]([C:3]([O:2][C:5](=[O:6])[H:10])=[O:4])([H:7])([H:8])[H:9],"InChI=1S/C3H4O3/c1-6-3(5)2-4/h2H,1H3","InChI=1S/C3H4O3/c1-3(5)6-2-4/h2H,1H3",70.80525,-20.43176,
7478,[C:1]([O:2][C:3](=[O:4])[C:5](=[O:6])[H:10])([H:7])([H:8])[H:9],[C-:3]#[O+:4].[C-:5]#[O+:6].[C:1]([O:2][H:10])([H:7])([H:8])[H:9],"InChI=1S/C3H4O3/c1-6-3(5)2-4/h2H,1H3","InChI=1S/CH4O.2CO/c3*1-2/h2H,1H3;;",59.778040000000004,8.87469,
7479,[C:1]([O:2][C:3](=[O:4])[C:5](=[O:6])[H:10])([H:7])([H:8])[H:9],[C-:5]#[O+:6].[C:1]([O+:2]=[C-:3][O:4][H:10])([H:7])([H:8])[H:9],"InChI=1S/C3H4O3/c1-6-3(5)2-4/h2H,1H3","InChI=1S/C2H4O2.CO/c1-4-2-3;1-2/h3H,1H3;",53.981640000000006,40.45169,
7480,[C:1]([O:2][C:3](=[O:4])[C:5](=[O:6])[H:10])([H:7])([H:8])[H:9],[C:1]([O:2][C:3]([O-:4])=[C+:5][O:6][H:10])([H:7])([H:8])[H:9],"InChI=1S/C3H4O3/c1-6-3(5)2-4/h2H,1H3","InChI=1S/C3H4O3/c1-6-3(5)2-4/h1H3,(H-,4,5)",82.34368,49.32914,
7481,[C:1]([O:2][C:3](=[O:4])[C:5](=[O:6])[H:10])([H:7])([H:8])[H:9],[C:1]([O+:2]=[C-:3][O:4][C:5](=[O:6])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C3H4O3/c1-6-3(5)2-4/h2H,1H3","InChI=1S/C3H4O3/c1-5-3-6-2-4/h2H,1H3",51.04177,40.10576,
7482,[C:1]([O:2][C:3](=[O:4])[C:5](=[O:6])[H:10])([H:7])([H:8])[H:9],[C:1]([O:2][C:5](=[C:3]1[O:4][O:6]1)[H:10])([H:7])([H:8])[H:9],"InChI=1S/C3H4O3/c1-6-3(5)2-4/h2H,1H3","InChI=1S/C3H4O3/c1-4-2-3-5-6-3/h2H,1H3",186.28976,106.78353999999999,
7483,[C:1]([O:2][C:3](=[O:4])[C:5](=[O:6])[H:10])([H:7])([H:8])[H:9],[C:1]([O:2][C:3](=[O:4])[O+:6]=[C-:5][H:10])([H:7])([H:8])[H:9],"InChI=1S/C3H4O3/c1-6-3(5)2-4/h2H,1H3","InChI=1S/C3H4O3/c1-5-3(4)6-2/h1H,2H3",72.37295,62.83175,
7484,[O:1]=[C:2]([O:3][C:4]([C:5]#[C:6][H:10])([H:8])[H:9])[H:7],[C:4]([H:8])[H:9].[O:1]=[C:2]([O:3][C:5]#[C:6][H:10])[H:7],"InChI=1S/C4H4O2/c1-2-3-6-4-5/h1,4H,3H2","InChI=1S/C3H2O2.CH2/c1-2-5-3-4;/h1,3H;1H2",116.32603999999999,127.63954,
7485,[O:1]=[C:2]([O:3][C:4]([C:5]#[C:6][H:10])([H:8])[H:9])[H:7],[O:1]=[C:2]([H:7])[H:8].[O:3]=[C:4]([C:5]#[C:6][H:10])[H:9],"InChI=1S/C4H4O2/c1-2-3-6-4-5/h1,4H,3H2","InChI=1S/C3H2O.CH2O/c1-2-3-4;1-2/h1,3H;1H2",62.909490000000005,28.775470000000002,
7486,[O:1]=[C:2]([O:3][C:4]([C:5]#[C:6][H:10])([H:8])[H:9])[H:7],[C:4](=[C:5]=[C:6]([H:7])[H:10])([H:8])[H:9].[O:1]=[C:2]=[O:3],"InChI=1S/C4H4O2/c1-2-3-6-4-5/h1,4H,3H2",InChI=1S/C3H4.CO2/c1-3-2;2-1-3/h1-2H2;,33.58547,-30.26003,Retroene
7487,[O:1]=[C:2]([O:3][C:4]([C:5]#[C:6][H:10])([H:8])[H:9])[H:7],[O:1]([C:2](=[O:3])[H:7])[C:5]1=[C:6]([H:10])[C:4]1([H:8])[H:9],"InChI=1S/C4H4O2/c1-2-3-6-4-5/h1,4H,3H2","InChI=1S/C4H4O2/c5-3-6-4-1-2-4/h1,3H,2H2",52.22275,15.751779999999998,
7488,[O:1]=[C:2]([O:3][C:4]([C:5]#[C:6][H:10])([H:8])[H:9])[H:7],[O:1]([C:2](=[O:3])[H:7])[C:6](=[C:5]=[C:4]([H:8])[H:9])[H:10],"InChI=1S/C4H4O2/c1-2-3-6-4-5/h1,4H,3H2","InChI=1S/C4H4O2/c1-2-3-6-4-5/h3-4H,1H2",32.36994,-5.53302,
7489,[O:1]=[C:2]([O:3][C:4]([C:5]#[C:6][H:10])([H:8])[H:9])[H:7],[O:1]=[C:2]([O:3]/[C:4](=[C:5](\[C:6][H:10])[H:8])[H:9])[H:7],"InChI=1S/C4H4O2/c1-2-3-6-4-5/h1,4H,3H2",InChI=1S/C4H4O2/c1-2-3-6-4-5/h1-4H/b3-2-,62.90999,55.54164,
7490,[O:1]=[C:2]([O:3][C:4]([C:5]#[C:6][H:10])([H:8])[H:9])[H:7],[O:1]=[C:2](/[C:6](=[C:5]1\[O:3][C:4]1([H:8])[H:9])[H:10])[H:7],"InChI=1S/C4H4O2/c1-2-3-6-4-5/h1,4H,3H2","InChI=1S/C4H4O2/c5-2-1-4-3-6-4/h1-2H,3H2/b4-1-",59.40328,2.4908099999999997,
7491,[O:1]=[C:2]([O:3][C:4]([C:5]#[C:6][H:10])([H:8])[H:9])[H:7],[O:1]([C@@:2]1([H:7])[O:3][C:4]([H:8])([H:9])[C:5]1=[C:6])[H:10],"InChI=1S/C4H4O2/c1-2-3-6-4-5/h1,4H,3H2","InChI=1S/C4H4O2/c1-3-2-6-4(3)5/h4-5H,2H2/t4-/m0/s1",89.53267,76.4603,
7492,[O:1]=[C:2]([O:3][C:4]([C:5]#[C:6][H:10])([H:8])[H:9])[H:7],[O:1]=[C:2]([O:3][C:4]([C:6](=[C:5])[H:10])([H:8])[H:9])[H:7],"InChI=1S/C4H4O2/c1-2-3-6-4-5/h1,4H,3H2","InChI=1S/C4H4O2/c1-2-3-6-4-5/h2,4H,3H2",55.497609999999995,52.27235,Singlet_Carbene_Intra_Disproportionation
7493,[O:1]=[C:2]([O:3][C:4]([C:5]#[C:6][H:10])([H:8])[H:9])[H:7],[O:1]=[C:5]1[C:4]([H:8])([H:9])[O:3][C:2]([H:7])=[C:6]1[H:10],"InChI=1S/C4H4O2/c1-2-3-6-4-5/h1,4H,3H2","InChI=1S/C4H4O2/c5-4-1-2-6-3-4/h1-2H,3H2",107.15638,-31.146209999999996,
7494,[N:1]([c:2]1[n:3][o:4][c:5]([H:9])[n:6]1)([H:7])[H:8],[N:1]([C:2](=[N:3][O:4][H:9])[N+:6]#[C-:5])([H:7])[H:8],"InChI=1S/C2H3N3O/c3-2-4-1-6-5-2/h1H,(H2,3,5)","InChI=1S/C2H3N3O/c1-4-2(3)5-6/h6H,(H2,3,5)",57.84086,44.263870000000004,
7495,[N:1]([c:2]1[n:3][o:4][c:5]([H:9])[n:6]1)([H:7])[H:8],[N:1]([c:2]1[n:3][o+:4][c-:5][n:6]1[H:9])([H:7])[H:8],"InChI=1S/C2H3N3O/c3-2-4-1-6-5-2/h1H,(H2,3,5)","InChI=1S/C2H3N3O/c3-2-4-1-6-5-2/h(H3,3,4,5)",70.34325,31.957759999999997,
7496,[N:1]([c:2]1[n:3][o:4][c:5]([H:9])[n:6]1)([H:7])[H:8],[N:1](=[c:2]1[n-:3][o+:4][c:5]([H:9])[n:6]1[H:7])[H:8],"InChI=1S/C2H3N3O/c3-2-4-1-6-5-2/h1H,(H2,3,5)","InChI=1S/C2H3N3O/c3-2-4-1-6-5-2/h1H,(H2,3,4)",58.87725,32.32201,
7497,[N:1]([c:2]1[n:3][o:4][c:5]([H:9])[n:6]1)([H:7])[H:8],[C:5](#[N:6])[H:9].[N:1]([C:2]#[N+:3][O-:4])([H:7])[H:8],"InChI=1S/C2H3N3O/c3-2-4-1-6-5-2/h1H,(H2,3,5)",InChI=1S/CH2N2O.CHN/c2-1-3-4;1-2/h2H2;1H,56.40793000000001,59.07419,
7498,[N:1]([c:2]1[n:3][o:4][c:5]([H:9])[n:6]1)([H:7])[H:8],[N:1]([C:2]1=[N:3][N:6]1[C:5](=[O:4])[H:9])([H:7])[H:8],"InChI=1S/C2H3N3O/c3-2-4-1-6-5-2/h1H,(H2,3,5)","InChI=1S/C2H3N3O/c3-2-4-5(2)1-6/h1H,(H2,3,4)",44.552690000000005,39.79484,ketoenol
7499,[N:1]([c:2]1[n:3][o:4][c:5]([H:9])[n:6]1)([H:7])[H:8],[N-:1]([c+:2]1[n:3]([H:8])[o:4][c:5]([H:9])[n:6]1)[H:7],"InChI=1S/C2H3N3O/c3-2-4-1-6-5-2/h1H,(H2,3,5)","InChI=1S/C2H3N3O/c3-2-4-1-6-5-2/h1,3,5H",60.111430000000006,22.01148,
7500,[C:1]([C:2]([C:3]#[C:4][H:10])([H:8])[H:9])([H:5])([H:6])[H:7],[C:1]([C:2]([C:4](=[C:3])[H:10])([H:8])[H:9])([H:5])([H:6])[H:7],"InChI=1S/C4H6/c1-3-4-2/h1H,4H2,2H3","InChI=1S/C4H6/c1-3-4-2/h4H,3H2,1H3",58.23931999999999,51.442479999999996,Singlet_Carbene_Intra_Disproportionation
7501,[C:1]([C:2]([C:3]#[C:4][H:10])([H:8])[H:9])([H:5])([H:6])[H:7],[C:1]1([H:5])([H:7])[C:2]([H:8])([H:9])[C:3][C:4]1([H:6])[H:10],"InChI=1S/C4H6/c1-3-4-2/h1H,4H2,2H3",InChI=1S/C4H6/c1-2-4-3-1/h1-3H2,93.35217,64.48637,
7502,[C:1]([C:2]([C:3]#[C:4][H:10])([H:8])[H:9])([H:5])([H:6])[H:7],[C:1]([C:2](=[C:3]=[C:4]([H:9])[H:10])[H:8])([H:5])([H:6])[H:7],"InChI=1S/C4H6/c1-3-4-2/h1H,4H2,2H3","InChI=1S/C4H6/c1-3-4-2/h4H,1H2,2H3",59.13066,-6.19008,
7503,[C:1]([C:2]([C:3]#[C:4][H:10])([H:8])[H:9])([H:5])([H:6])[H:7],[C:1]1([H:5])([H:7])[C:2]([H:8])([H:9])[C:3]1=[C:4]([H:6])[H:10],"InChI=1S/C4H6/c1-3-4-2/h1H,4H2,2H3",InChI=1S/C4H6/c1-4-2-3-4/h1-3H2,81.17234,1.85622,
7504,[C:1]([C:2]([C:3]#[C:4][H:10])([H:8])[H:9])([H:5])([H:6])[H:7],[C:1]1([H:5])([H:7])[C:2]([H:8])([H:9])[C:3]1([C:4][H:10])[H:6],"InChI=1S/C4H6/c1-3-4-2/h1H,4H2,2H3","InChI=1S/C4H6/c1-4-2-3-4/h1,4H,2-3H2",88.19224,65.9991,
7505,[C:1]([C:2]([C:3]#[C:4][H:10])([H:8])[H:9])([H:5])([H:6])[H:7],[C:1](/[C:2](=[C:3](\[C:4][H:10])[H:9])[H:8])([H:5])([H:6])[H:7],"InChI=1S/C4H6/c1-3-4-2/h1H,4H2,2H3","InChI=1S/C4H6/c1-3-4-2/h1,3-4H,2H3/b4-3-",65.9158,57.83531,
7506,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C:5]1=[O:6])([H:7])([H:8])[H:9],[C:1]([C:2]1=[C:5]([O:6][H:10])[C:4]([H:13])([H:14])[C:3]1([H:11])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-4-2-3-5(4)6/h4H,2-3H2,1H3/t4-/m0/s1","InChI=1S/C5H8O/c1-4-2-3-5(4)6/h6H,2-3H2,1H3",76.22343000000001,10.80304,ketoenol
7507,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C:5]1=[O:6])([H:7])([H:8])[H:9],[C:1]([O:6][C:5]1=[C:2]([H:10])[C:3]([H:11])([H:12])[C:4]1([H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-4-2-3-5(4)6/h4H,2-3H2,1H3/t4-/m0/s1","InChI=1S/C5H8O/c1-6-5-3-2-4-5/h3H,2,4H2,1H3",86.67436,25.625729999999997,ketoenol
7508,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C:5]1=[O:6])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])=[C:5]1[O:6][H:14])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-4-2-3-5(4)6/h4H,2-3H2,1H3/t4-/m0/s1","InChI=1S/C5H8O/c1-4-2-3-5(4)6/h3-4,6H,2H2,1H3/t4-/m0/s1",75.76496,13.20991,ketoenol
7509,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C:5]1=[O:6])([H:7])([H:8])[H:9],[C:1]([C+:2]=[C:5]([C:4]([C:3]([H:10])([H:11])[H:12])([H:13])[H:14])[O-:6])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-4-2-3-5(4)6/h4H,2-3H2,1H3/t4-/m0/s1","InChI=1S/C5H8O/c1-3-5(6)4-2/h3H2,1-2H3",60.821000000000005,57.56935,
7510,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C:5]1=[O:6])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@@:4]1([C:5](=[O:6])[H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-4-2-3-5(4)6/h4H,2-3H2,1H3/t4-/m0/s1","InChI=1S/C5H8O/c1-4-2-5(4)3-6/h3-5H,2H2,1H3/t4-,5+/m0/s1",70.45461,5.5799199999999995,
7511,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C:5]1=[O:6])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([C:4](=[C:5]=[O:6])[H:13])([H:11])[H:12])([H:10])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-4-2-3-5(4)6/h4H,2-3H2,1H3/t4-/m0/s1","InChI=1S/C5H8O/c1-2-3-4-5-6/h4H,2-3H2,1H3",70.25381999999999,0.65633,
7512,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C:5]1=[O:6])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:5]=[O:6])[H:10])([H:7])([H:8])[H:9].[C:3](=[C:4]([H:13])[H:14])([H:11])[H:12],"InChI=1S/C5H8O/c1-4-2-3-5(4)6/h4H,2-3H2,1H3/t4-/m0/s1","InChI=1S/C3H4O.C2H4/c1-2-3-4;1-2/h2H,1H3;1-2H2",39.71482,23.34049,
7513,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C:5]1=[O:6])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]([H:11])[H:12])[H:10])([H:7])([H:8])[H:9].[C:4](=[C:5]=[O:6])([H:13])[H:14],"InChI=1S/C5H8O/c1-4-2-3-5(4)6/h4H,2-3H2,1H3/t4-/m0/s1","InChI=1S/C3H6.C2H2O/c1-3-2;1-2-3/h3H,1H2,2H3;1H2",41.73595,19.26006,
7514,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C:5]1=[O:6])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([C:4]([H:10])([H:13])[H:14])([H:11])[H:12])=[C:5]=[O:6])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-4-2-3-5(4)6/h4H,2-3H2,1H3/t4-/m0/s1","InChI=1S/C5H8O/c1-3-5(2)4-6/h3H2,1-2H3",64.25104,-0.57958,
7515,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C:5]1=[O:6])([H:7])([H:8])[H:9],[C:1]([C@@:2]([C:3][H:11])([C:5]([C:4]([H:12])([H:13])[H:14])=[O:6])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-4-2-3-5(4)6/h4H,2-3H2,1H3/t4-/m0/s1","InChI=1S/C5H8O/c1-4(2)5(3)6/h1,4H,2-3H3/t4-/m1/s1",76.68052,78.48299,
7516,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C:5]1=[O:6])([H:7])([H:8])[H:9],[C:1]([C:5]([C:2]1([H:10])[C:3]([H:11])([H:12])[C:4]1([H:13])[H:14])=[O:6])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-4-2-3-5(4)6/h4H,2-3H2,1H3/t4-/m0/s1","InChI=1S/C5H8O/c1-4(6)5-2-3-5/h5H,2-3H2,1H3",77.29481,2.61862,
7517,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C:5]1=[O:6])([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:10].[C:2]1(=[C:5]=[O:6])[C:3]([H:11])([H:12])[C:4]1([H:13])[H:14],"InChI=1S/C5H8O/c1-4-2-3-5(4)6/h4H,2-3H2,1H3/t4-/m0/s1",InChI=1S/C4H4O.CH4/c5-3-4-1-2-4;/h1-2H2;1H4,75.48159,29.45393,
7518,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C:5]1=[O:6])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:5](=[C+:4][H:14])[O-:6])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-4-2-3-5(4)6/h4H,2-3H2,1H3/t4-/m0/s1","InChI=1S/C5H8O/c1-4(2)5(3)6/h3-4H,1-2H3",66.84382,65.20065,
7519,[C:1]([O:2][C@@:3]([C:4]([H:11])([H:12])[H:13])([C:5](=[O:6])[H:14])[H:10])([H:7])([H:8])[H:9],[C:1]([O:2]/[C:3](=[C:5](/[O:6][C:4]([H:11])([H:12])[H:13])[H:14])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-4(3-5)6-2/h3-4H,1-2H3/t4-/m0/s1","InChI=1S/C4H8O2/c1-5-3-4-6-2/h3-4H,1-2H3/b4-3+",76.50041999999999,19.07379,ketoenol
7520,[C:1]([O:2][C@@:3]([C:4]([H:11])([H:12])[H:13])([C:5](=[O:6])[H:14])[H:10])([H:7])([H:8])[H:9],[C:1](=[O:2])([H:7])[H:9].[C:3](\[C:4]([H:11])([H:12])[H:13])(=[C:5](/[O:6][H:8])[H:14])[H:10],"InChI=1S/C4H8O2/c1-4(3-5)6-2/h3-4H,1-2H3/t4-/m0/s1","InChI=1S/C3H6O.CH2O/c1-2-3-4;1-2/h2-4H,1H3;1H2/b3-2+;",41.30066,11.49884,Retroene
7521,[C:1]([O:2][C@@:3]([C:4]([H:11])([H:12])[H:13])([C:5](=[O:6])[H:14])[H:10])([H:7])([H:8])[H:9],[C:1]([O:2][C:5](=[O:6])[H:14])([H:7])([H:8])[H:9].[C:3](=[C:4]([H:11])[H:12])([H:10])[H:13],"InChI=1S/C4H8O2/c1-4(3-5)6-2/h3-4H,1-2H3/t4-/m0/s1","InChI=1S/C2H4O2.C2H4/c1-4-2-3;1-2/h2H,1H3;1-2H2",84.52911,2.51076,
7522,[C:1]([O:2][C@@:3]([C:4]([H:11])([H:12])[H:13])([C:5](=[O:6])[H:14])[H:10])([H:7])([H:8])[H:9],[C-:5]#[O+:6].[C:1]([O:2][C:3](=[C:4]([H:11])[H:12])[H:10])([H:7])([H:8])[H:9].[H:13][H:14],"InChI=1S/C4H8O2/c1-4(3-5)6-2/h3-4H,1-2H3/t4-/m0/s1","InChI=1S/C3H6O.CO.H2/c1-3-4-2;1-2;/h3H,1H2,2H3;;1H",56.71291,26.622220000000002,
7523,[C:1]([O:2][C@@:3]([C:4]([H:11])([H:12])[H:13])([C:5](=[O:6])[H:14])[H:10])([H:7])([H:8])[H:9],[C:1]([O:2][C@:5]1([H:14])[C@:3]([C:4]([H:11])([H:12])[H:13])([H:10])[O:6]1)([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-4(3-5)6-2/h3-4H,1-2H3/t4-/m0/s1","InChI=1S/C4H8O2/c1-3-4(5-2)6-3/h3-4H,1-2H3/t3-,4+/m1/s1",57.60049,14.191629999999998,
7524,[C:1]([O:2][C@@:3]([C:4]([H:11])([H:12])[H:13])([C:5](=[O:6])[H:14])[H:10])([H:7])([H:8])[H:9],[C:1]([O:2]/[C:3]([C:4]([H:11])([H:12])[H:13])=[C:5](/[O:6][H:10])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-4(3-5)6-2/h3-4H,1-2H3/t4-/m0/s1","InChI=1S/C4H8O2/c1-4(3-5)6-2/h3,5H,1-2H3/b4-3+",65.56514,3.3131800000000005,ketoenol
7525,[C:1]([O:2][C@@:3]([C:4]([H:11])([H:12])[H:13])([C:5](=[O:6])[H:14])[H:10])([H:7])([H:8])[H:9],[C:1]([O:2][C@@:3]1([H:10])[C:4]([H:11])([H:12])[C@:5]1([O:6][H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-4(3-5)6-2/h3-4H,1-2H3/t4-/m0/s1","InChI=1S/C4H8O2/c1-6-4-2-3(4)5/h3-5H,2H2,1H3/t3-,4+/m1/s1",75.21781,18.18869,
7526,[C:1]([O:2][C@@:3]([C:4]([H:11])([H:12])[H:13])([C:5](=[O:6])[H:14])[H:10])([H:7])([H:8])[H:9],[C:1]([O:2][C:3](=[C:4]([H:11])[H:12])[C:5](=[O:6])[H:14])([H:7])([H:8])[H:9].[H:10][H:13],"InChI=1S/C4H8O2/c1-4(3-5)6-2/h3-4H,1-2H3/t4-/m0/s1","InChI=1S/C4H6O2.H2/c1-4(3-5)6-2;/h3H,1H2,2H3;1H",99.20206999999999,26.8879,
7527,[C:1]([O:2][C@@:3]([C:4]([H:11])([H:12])[H:13])([C:5](=[O:6])[H:14])[H:10])([H:7])([H:8])[H:9],[C:1]([O+:2]=[C:3]=[C:5]([O-:6])[H:14])([H:7])([H:8])[H:9].[C:4]([H:10])([H:11])([H:12])[H:13],"InChI=1S/C4H8O2/c1-4(3-5)6-2/h3-4H,1-2H3/t4-/m0/s1","InChI=1S/C3H4O2.CH4/c1-5-3-2-4;/h2H,1H3;1H4",64.99271999999999,57.57767,
7528,[C:1]([O:2][C@@:3]([C:4]([H:11])([H:12])[H:13])([C:5](=[O:6])[H:14])[H:10])([H:7])([H:8])[H:9],[C:1]([O:2][C@@:3]([C:4]([H:11])([H:12])[H:13])([O+:6]=[C-:5][H:14])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-4(3-5)6-2/h3-4H,1-2H3/t4-/m0/s1","InChI=1S/C4H8O2/c1-4(5-2)6-3/h2,4H,1,3H3/t4-/m0/s1",91.56832,61.58186,
7529,[C:1]([O:2][C@@:3]([C:4]([H:11])([H:12])[H:13])([C:5](=[O:6])[H:14])[H:10])([H:7])([H:8])[H:9],[C:1]([O:2][C@@:3]([C:4]([H:11])([H:12])[H:13])([C:5][O:6][H:14])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-4(3-5)6-2/h3-4H,1-2H3/t4-/m0/s1","InChI=1S/C4H8O2/c1-4(3-5)6-2/h4-5H,1-2H3/t4-/m0/s1",81.34347,55.58025,
7530,[C:1]([O:2][C@@:3]([C:4]([H:11])([H:12])[H:13])([C:5](=[O:6])[H:14])[H:10])([H:7])([H:8])[H:9],[C:1]([O:2][H:14])([H:7])([H:8])[H:9].[C:3]([C:4]([H:11])([H:12])[H:13])(=[C:5]=[O:6])[H:10],"InChI=1S/C4H8O2/c1-4(3-5)6-2/h3-4H,1-2H3/t4-/m0/s1","InChI=1S/C3H4O.CH4O/c1-2-3-4;1-2/h2H,1H3;2H,1H3",71.11461,9.729330000000001,"1,3_Insertion_ROR"
7531,[C:1]([O:2][C@@:3]([C:4]([H:11])([H:12])[H:13])([C:5](=[O:6])[H:14])[H:10])([H:7])([H:8])[H:9],[C:1](=[O:2])([H:7])[H:9].[C:3](=[C:4]([H:11])[H:12])([C:5](=[O:6])[H:14])[H:10].[H:8][H:13],"InChI=1S/C4H8O2/c1-4(3-5)6-2/h3-4H,1-2H3/t4-/m0/s1","InChI=1S/C3H4O.CH2O.H2/c1-2-3-4;1-2;/h2-3H,1H2;1H2;1H",55.87485,34.30932,
7532,[C:1]([C@@:2]1([C:5](=[O:6])[H:12])[C:3]([H:10])([H:11])[O:4]1)([H:7])([H:8])[H:9],[C:1]([C@@:2]([C:3][H:10])([O:4][H:11])[C:5](=[O:6])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H6O2/c1-4(2-5)3-6-4/h2H,3H2,1H3/t4-/m1/s1","InChI=1S/C4H6O2/c1-4(2,6)3-5/h1,3,6H,2H3/t4-/m1/s1",68.19126,65.70770999999999,
7533,[C:1]([C@@:2]1([C:5](=[O:6])[H:12])[C:3]([H:10])([H:11])[O:4]1)([H:7])([H:8])[H:9],[C:1]([C@@:2]([O+:4]=[C-:3][H:11])([C:5](=[O:6])[H:12])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H6O2/c1-4(2-5)3-6-4/h2H,3H2,1H3/t4-/m1/s1","InChI=1S/C4H6O2/c1-4(3-5)6-2/h2-4H,1H3/t4-/m1/s1",77.98918,51.6463,
7534,[C:1]([C@@:2]1([C:5](=[O:6])[H:12])[C:3]([H:10])([H:11])[O:4]1)([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:11].[C:2](=[C+:3][H:10])([O-:4])[C:5](=[O:6])[H:12],"InChI=1S/C4H6O2/c1-4(2-5)3-6-4/h2H,3H2,1H3/t4-/m1/s1",InChI=1S/C3H2O2.CH4/c1-3(5)2-4;/h1-2H;1H4,112.5667,70.24920999999999,
7535,[C:1]([C@@:2]1([C:5](=[O:6])[H:12])[C:3]([H:10])([H:11])[O:4]1)([H:7])([H:8])[H:9],[C:1]([C@@:2]1([C-:5]([O:6][H:11])[H:12])[C:3]([H:10])=[O+:4]1)([H:7])([H:8])[H:9],"InChI=1S/C4H6O2/c1-4(2-5)3-6-4/h2H,3H2,1H3/t4-/m1/s1","InChI=1S/C4H6O2/c1-4(2-5)3-6-4/h2-3,5H,1H3/t4-/m1/s1",95.99323000000001,57.53354,
7536,[C:1]([C@@:2]1([C:5](=[O:6])[H:12])[C:3]([H:10])([H:11])[O:4]1)([H:7])([H:8])[H:9],[C:1](=[C:2]1[C:3]([H:10])([H:11])[O:4]1)([H:8])[H:9].[C:5](=[O:6])([H:7])[H:12],"InChI=1S/C4H6O2/c1-4(2-5)3-6-4/h2H,3H2,1H3/t4-/m1/s1",InChI=1S/C3H4O.CH2O/c1-3-2-4-3;1-2/h1-2H2;1H2,81.21325,36.97311,
7537,[C:1]([C@@:2]1([C:5](=[O:6])[H:12])[C:3]([H:10])([H:11])[O:4]1)([H:7])([H:8])[H:9],[C:1]([C:2]([O+:4]=[C:3]([H:10])[H:11])=[C:5]([O-:6])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H6O2/c1-4(2-5)3-6-4/h2H,3H2,1H3/t4-/m1/s1","InChI=1S/C4H6O2/c1-4(3-5)6-2/h3H,2H2,1H3",34.16829,27.78895,
7538,[C:1]([C@@:2]1([C:5](=[O:6])[H:12])[C:3]([H:10])([H:11])[O:4]1)([H:7])([H:8])[H:9],[C:1]([O:6]/[C:5](=[C:2]1\[C:3]([H:10])([H:11])[O:4]1)[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H6O2/c1-4(2-5)3-6-4/h2H,3H2,1H3/t4-/m1/s1","InChI=1S/C4H6O2/c1-5-2-4-3-6-4/h2H,3H2,1H3/b4-2+",86.66635,31.62026,ketoenol
7539,[C:1]([C@@:2]1([C:5](=[O:6])[H:12])[C:3]([H:10])([H:11])[O:4]1)([H:7])([H:8])[H:9],[C:1]([C@:2]12[C:3]([H:10])([H:11])[O:6][C@@:5]1([H:12])[O:4]2)([H:7])([H:8])[H:9],"InChI=1S/C4H6O2/c1-4(2-5)3-6-4/h2H,3H2,1H3/t4-/m1/s1","InChI=1S/C4H6O2/c1-4-2-5-3(4)6-4/h3H,2H2,1H3/t3-,4-/m0/s1",63.175819999999995,23.64282,
7540,[C:1]([C@@:2]1([C:5](=[O:6])[H:12])[C:3]([H:10])([H:11])[O:4]1)([H:7])([H:8])[H:9],[C:1]([C:2](=[C+:5][H:12])[O-:6])([H:7])([H:8])[H:9].[C:3](=[O:4])([H:10])[H:11],"InChI=1S/C4H6O2/c1-4(2-5)3-6-4/h2H,3H2,1H3/t4-/m1/s1","InChI=1S/C3H4O.CH2O/c1-3(2)4;1-2/h1H,2H3;1H2",71.69955,72.52378,
7541,[C:1]([C@@:2]1([C:5](=[O:6])[H:12])[C:3]([H:10])([H:11])[O:4]1)([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([O:4][H:12])([H:10])[H:11])=[C:5]=[O:6])([H:7])([H:8])[H:9],"InChI=1S/C4H6O2/c1-4(2-5)3-6-4/h2H,3H2,1H3/t4-/m1/s1","InChI=1S/C4H6O2/c1-4(2-5)3-6/h5H,2H2,1H3",64.86998,-11.97799,
7542,[C:1]([C@@:2]1([C:5](=[O:6])[H:12])[C:3]([H:10])([H:11])[O:4]1)([H:7])([H:8])[H:9],[C:1]([O:4][C:3]([C+:2]=[C:5]([O-:6])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H6O2/c1-4(2-5)3-6-4/h2H,3H2,1H3/t4-/m1/s1","InChI=1S/C4H6O2/c1-6-4-2-3-5/h3H,4H2,1H3",98.30795,72.13450999999999,
7543,[o:1]1[c:2]([H:6])[c:3]([H:7])[n:4][c:5]1[H:8],[O:1]=[C:5]([N:4]=[C:3]=[C:2]([H:6])[H:7])[H:8],InChI=1S/C3H3NO/c1-2-5-3-4-1/h1-3H,"InChI=1S/C3H3NO/c1-2-4-3-5/h3H,1H2",74.14036999999999,18.78496,
7544,[o:1]1[c:2]([H:6])[c:3]([H:7])[n:4][c:5]1[H:8],[O:1]=[C:5]([N:4]1[C:2]([H:6])=[C:3]1[H:7])[H:8],InChI=1S/C3H3NO/c1-2-5-3-4-1/h1-3H,InChI=1S/C3H3NO/c5-3-4-1-2-4/h1-3H,77.07225,73.33707,ketoenol
7545,[o:1]1[c:2]([H:6])[c:3]([H:7])[n:4][c:5]1[H:8],[C:2](#[C:3][H:7])[H:6].[O:1]=[C:5]=[N:4][H:8],InChI=1S/C3H3NO/c1-2-5-3-4-1/h1-3H,InChI=1S/C2H2.CHNO/c1-2;2-1-3/h1-2H;2H,92.71252,31.00824,
7546,[o:1]1[c:2]([H:6])[c:3]([H:7])[n:4][c:5]1[H:8],[O+:1]1=[C-:2][C:3]([H:6])([H:7])[N:4]=[C:5]1[H:8],InChI=1S/C3H3NO/c1-2-5-3-4-1/h1-3H,"InChI=1S/C3H3NO/c1-2-5-3-4-1/h3H,1H2",65.25095,57.001740000000005,Singlet_Carbene_Intra_Disproportionation
7547,[o:1]1[c:2]([H:6])[c:3]([H:7])[n:4][c:5]1[H:8],[O:1]=[C:2]([C@:3]1([H:7])[N:4]=[C:5]1[H:8])[H:6],InChI=1S/C3H3NO/c1-2-5-3-4-1/h1-3H,InChI=1S/C3H3NO/c5-2-3-1-4-3/h1-3H/t3-/m1/s1,79.10247,41.94996,ketoenol
7548,[o:1]1[c:2]([H:6])[c:3]([H:7])[n:4][c:5]1[H:8],[O:1]1[C@@:2]2([H:6])[C:3]([H:7])=[N:4][C@@:5]12[H:8],InChI=1S/C3H3NO/c1-2-5-3-4-1/h1-3H,"InChI=1S/C3H3NO/c1-2-3(4-1)5-2/h1-3H/t2-,3-/m0/s1",94.10166,72.21961,
7549,[o:1]1[c:2]([H:6])[c:3]([H:7])[n:4][c:5]1[H:8],[o+:1]1[c:2]([H:6])[c-:3][n:4]([H:7])[c:5]1[H:8],InChI=1S/C3H3NO/c1-2-5-3-4-1/h1-3H,InChI=1S/C3H3NO/c1-2-5-3-4-1/h2-4H,85.52604000000001,49.85053,
7550,[o:1]1[c:2]([H:6])[c:3]([H:7])[n:4][c:5]1[H:8],[N:4]#[C:5][H:8].[O-:1][C:2](=[C+:3][H:7])[H:6],InChI=1S/C3H3NO/c1-2-5-3-4-1/h1-3H,InChI=1S/C2H2O.CHN/c1-2-3;1-2/h1-2H;1H,96.94435,101.19944,
7551,[o:1]1[c:2]([H:6])[c:3]([H:7])[n:4][c:5]1[H:8],[O-:1][C:2](=[C:3]([N+:4]#[C:5][H:8])[H:7])[H:6],InChI=1S/C3H3NO/c1-2-5-3-4-1/h1-3H,InChI=1S/C3H3NO/c1-4-2-3-5/h1-3H,37.65061,37.56084,
7552,[o:1]1[c:2]([H:6])[c:3]([H:7])[n:4][c:5]1[H:8],[o+:1]1[c:2]([H:6])[c:3]([H:7])[n:4]([H:8])[c-:5]1,InChI=1S/C3H3NO/c1-2-5-3-4-1/h1-3H,"InChI=1S/C3H3NO/c1-2-5-3-4-1/h1-2,4H",70.10127,32.94573,
7553,[o:1]1[c:2]([H:6])[c:3]([H:7])[n:4][c:5]1[H:8],[N:4]#[C:5][H:8].[O:1]=[C:2]=[C:3]([H:6])[H:7],InChI=1S/C3H3NO/c1-2-5-3-4-1/h1-3H,InChI=1S/C2H2O.CHN/c1-2-3;1-2/h1H2;1H,79.82218,23.84704,
7554,[o:1]1[c:2]([H:6])[c:3]([H:7])[n:4][c:5]1[H:8],[O:1]([C-:2]=[C:3]([N+:4]#[C:5][H:8])[H:7])[H:6],InChI=1S/C3H3NO/c1-2-5-3-4-1/h1-3H,"InChI=1S/C3H3NO/c1-4-2-3-5/h1-2,5H",88.02911999999999,82.70218,
7555,[o:1]1[c:2]([H:6])[c:3]([H:7])[n:4][c:5]1[H:8],[O:1]=[C:5]=[N:4][C:3](=[C:2]([H:6])[H:8])[H:7],InChI=1S/C3H3NO/c1-2-5-3-4-1/h1-3H,"InChI=1S/C3H3NO/c1-2-4-3-5/h2H,1H2",116.9956,-4.69105,
7556,[o:1]1[c:2]([H:6])[c:3]([H:7])[n:4][c:5]1[H:8],[O:1]1[C:2]([H:6])([H:7])[C-:3]=[N+:4]=[C:5]1[H:8],InChI=1S/C3H3NO/c1-2-5-3-4-1/h1-3H,"InChI=1S/C3H3NO/c1-2-5-3-4-1/h3H,2H2",75.28556999999999,65.81133,Singlet_Carbene_Intra_Disproportionation
7557,[O:1]([C@@:2]1([H:8])[C@@:3]2([H:9])[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[C@@:6]12[H:14])[H:7],[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@:6]1([C:5]([C:4][H:11])([H:12])[H:13])[H:14])[H:7],"InChI=1S/C5H8O/c6-5-3-1-2-4(3)5/h3-6H,1-2H2/t3-,4+,5-","InChI=1S/C5H8O/c1-2-4-3-5(4)6/h1,4-6H,2-3H2/t4-,5+/m1/s1",79.07096,77.25312,
7558,[O:1]([C@@:2]1([H:8])[C@@:3]2([H:9])[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[C@@:6]12[H:14])[H:7],[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C-:4]([H:11])[C:5]([H:12])([H:13])[C+:6]1[H:14])[H:7],"InChI=1S/C5H8O/c6-5-3-1-2-4(3)5/h3-6H,1-2H2/t3-,4+,5-","InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1,4-6H,2-3H2/t5-/m0/s1",67.91034,56.839369999999995,
7559,[O:1]([C@@:2]1([H:8])[C@@:3]2([H:9])[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[C@@:6]12[H:14])[H:7],[O:1]([C@@:2]1([H:8])[C@:3]([C:4][H:10])([H:9])[C@:6]1([C:5]([H:11])([H:12])[H:13])[H:14])[H:7],"InChI=1S/C5H8O/c6-5-3-1-2-4(3)5/h3-6H,1-2H2/t3-,4+,5-","InChI=1S/C5H8O/c1-3-4(2)5(3)6/h1,3-6H,2H3/t3-,4+,5-/m0/s1",75.49565,63.073969999999996,
7560,[O:1]([C@@:2]1([H:8])[C@@:3]2([H:9])[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[C@@:6]12[H:14])[H:7],[O:1]([C@@:2]1([H:8])[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[C@@:6]1([C:3][H:9])[H:14])[H:7],"InChI=1S/C5H8O/c6-5-3-1-2-4(3)5/h3-6H,1-2H2/t3-,4+,5-","InChI=1S/C5H8O/c1-4-2-3-5(4)6/h1,4-6H,2-3H2/t4-,5-/m0/s1",112.12478,67.15965,
7561,[O:1]([C@@:2]1([H:8])[C@@:3]2([H:9])[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[C@@:6]12[H:14])[H:7],[O:1](/[C:2](=[C:3](\[C:6]1([H:14])[C:4]([H:10])([H:11])[C:5]1([H:12])[H:13])[H:9])[H:8])[H:7],"InChI=1S/C5H8O/c6-5-3-1-2-4(3)5/h3-6H,1-2H2/t3-,4+,5-","InChI=1S/C5H8O/c6-4-3-5-1-2-5/h3-6H,1-2H2/b4-3-",64.35719,-14.204820000000002,
7562,[O:1]([C@@:2]1([H:8])[C@@:3]2([H:9])[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[C@@:6]12[H:14])[H:7],[C@:2]12([H:8])[C@:3]3([H:9])[C:4]([H:10])([H:11])[C@@:5]1([H:12])[C@:6]23[H:14].[O:1]([H:7])[H:13],"InChI=1S/C5H8O/c6-5-3-1-2-4(3)5/h3-6H,1-2H2/t3-,4+,5-","InChI=1S/C5H6.H2O/c1-2-4-3(1)5(2)4;/h2-5H,1H2;1H2/t2-,3+,4-,5+;",96.27788000000001,41.50376,
7563,[O:1]([C@@:2]1([H:8])[C@@:3]2([H:9])[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[C@@:6]12[H:14])[H:7],[O:1]([C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[C:6]1)([H:8])[H:14])[H:7],"InChI=1S/C5H8O/c6-5-3-1-2-4(3)5/h3-6H,1-2H2/t3-,4+,5-","InChI=1S/C5H8O/c6-4-5-2-1-3-5/h5-6H,1-2,4H2/t5-/m0/s1",66.67415,68.4451,
7564,[O:1]([C@@:2]1([H:8])[C@@:3]2([H:9])[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[C@@:6]12[H:14])[H:7],[O:1]=[C:2]([C:6]1([H:14])[C:3]([H:7])([H:9])[C:4]([H:10])([H:11])[C:5]1([H:12])[H:13])[H:8],"InChI=1S/C5H8O/c6-5-3-1-2-4(3)5/h3-6H,1-2H2/t3-,4+,5-","InChI=1S/C5H8O/c6-4-5-2-1-3-5/h4-5H,1-3H2",57.35187,-19.13079,
7565,[O:1]([C@@:2]1([H:8])[C@@:3]2([H:9])[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[C@@:6]12[H:14])[H:7],[O:1]([C@@:2]1([H:8])[C:3][C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[C:6]1([H:9])[H:14])[H:7],"InChI=1S/C5H8O/c6-5-3-1-2-4(3)5/h3-6H,1-2H2/t3-,4+,5-","InChI=1S/C5H8O/c6-5-3-1-2-4-5/h5-6H,1-3H2/t5-/m1/s1",61.42552,42.525290000000005,
7566,[O:1]([C@@:2]1([H:8])[C@@:3]2([H:9])[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[C@@:6]12[H:14])[H:7],[H:7][H:8].[O:1]=[C:2]1[C@@:3]2([H:9])[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[C@@:6]12[H:14],"InChI=1S/C5H8O/c6-5-3-1-2-4(3)5/h3-6H,1-2H2/t3-,4+,5-","InChI=1S/C5H6O.H2/c6-5-3-1-2-4(3)5;/h3-4H,1-2H2;1H/t3-,4+;",86.39389,26.40894,
7567,[O:1]([C@@:2]1([H:8])[C@@:3]2([H:9])[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[C@@:6]12[H:14])[H:7],[O:1]1[C:2]([H:8])=[C:3]([H:9])[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[C:6]1([H:7])[H:14],"InChI=1S/C5H8O/c6-5-3-1-2-4(3)5/h3-6H,1-2H2/t3-,4+,5-","InChI=1S/C5H8O/c1-2-4-6-5-3-1/h2,4H,1,3,5H2",56.00555,-27.82207,
7568,[O:1]([C@@:2]1([H:8])[C@@:3]2([H:9])[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[C@@:6]12[H:14])[H:7],[H:9][H:10].[O:1]([C@@:2]1([H:8])[C:3]2=[C:4]([H:11])[C:5]([H:12])([H:13])[C@@:6]12[H:14])[H:7],"InChI=1S/C5H8O/c6-5-3-1-2-4(3)5/h3-6H,1-2H2/t3-,4+,5-","InChI=1S/C5H6O.H2/c6-5-3-1-2-4(3)5;/h1,4-6H,2H2;1H/t4-,5+;/m1./s1",85.3447,74.4498,
7569,[O:1]([C@@:2]1([H:8])[C@@:3]2([H:9])[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[C@@:6]12[H:14])[H:7],[O:1]([C:4]([C:5]([C:6]1([H:14])[C:2]([H:8])=[C:3]1[H:9])([H:12])[H:13])([H:10])[H:11])[H:7],"InChI=1S/C5H8O/c6-5-3-1-2-4(3)5/h3-6H,1-2H2/t3-,4+,5-","InChI=1S/C5H8O/c6-4-3-5-1-2-5/h1-2,5-6H,3-4H2",82.01801999999999,19.77775,
7570,[O:1]([C@@:2]1([H:8])[C@@:3]2([H:9])[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[C@@:6]12[H:14])[H:7],[O:1](/[C:2](=[C:6](\[C:5]([C:4](=[C:3]([H:9])[H:11])[H:10])([H:12])[H:13])[H:14])[H:8])[H:7],"InChI=1S/C5H8O/c6-5-3-1-2-4(3)5/h3-6H,1-2H2/t3-,4+,5-","InChI=1S/C5H8O/c1-2-3-4-5-6/h2,4-6H,1,3H2/b5-4-",86.9382,-16.12484,
7571,[O:1]([C@@:2]1([H:8])[C@@:3]2([H:9])[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[C@@:6]12[H:14])[H:7],[O:1]([C@@:2]([C:3]1([H:9])[C:4]([H:10])([H:11])[C:5]1([H:12])[H:13])([C:6][H:14])[H:8])[H:7],"InChI=1S/C5H8O/c6-5-3-1-2-4(3)5/h3-6H,1-2H2/t3-,4+,5-","InChI=1S/C5H8O/c1-4(6)5-2-3-5/h1,4-6H,2-3H2/t4-/m1/s1",68.31371,72.83343,
7572,[O:1]([C@@:2]1([H:8])[C@@:3]2([H:9])[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[C@@:6]12[H:14])[H:7],[O:1]([C:2]([C:3](=[C:4]([H:10])[H:11])[H:9])([C:6](=[C:5]([H:12])[H:13])[H:14])[H:8])[H:7],"InChI=1S/C5H8O/c6-5-3-1-2-4(3)5/h3-6H,1-2H2/t3-,4+,5-","InChI=1S/C5H8O/c1-3-5(6)4-2/h3-6H,1-2H2",71.12769,-11.62381,
7573,[O:1]([C@@:2]1([H:8])[C@@:3]2([H:9])[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[C@@:6]12[H:14])[H:7],[O:1]([C@@:2]1([H:8])[C:5]([H:12])([H:13])[C:4]([H:10])([H:11])[C:3]([H:9])=[C:6]1[H:14])[H:7],"InChI=1S/C5H8O/c6-5-3-1-2-4(3)5/h3-6H,1-2H2/t3-,4+,5-","InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1,3,5-6H,2,4H2/t5-/m1/s1",68.72365,-27.35783,
7574,[O:1]([C@@:2]1([H:8])[C@@:3]2([H:9])[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[C@@:6]12[H:14])[H:7],[O:1]=[C:2](/[C:3](=[C:6](\[C:5]([C:4]([H:7])([H:10])[H:11])([H:12])[H:13])[H:14])[H:9])[H:8],"InChI=1S/C5H8O/c6-5-3-1-2-4(3)5/h3-6H,1-2H2/t3-,4+,5-","InChI=1S/C5H8O/c1-2-3-4-5-6/h3-5H,2H2,1H3/b4-3-",67.45922,-28.341659999999997,
7575,[C:1]1([H:7])([H:8])[C:2]([H:9])=[C:3]([H:10])[C@@:4]2([H:11])[O:5][C@@:6]12[H:12],[C:1]1([H:7])([H:8])[C@:2]2([H:9])[C:3]([H:10])=[C:4]([H:11])[C@@:6]1([H:12])[O:5]2,"InChI=1S/C5H6O/c1-2-4-5(3-1)6-4/h1-2,4-5H,3H2/t4-,5+/m1/s1","InChI=1S/C5H6O/c1-2-5-3-4(1)6-5/h1-2,4-5H,3H2/t4-,5+",50.29867,24.851229999999997,
7576,[C:1]1([H:7])([H:8])[C:2]([H:9])=[C:3]([H:10])[C@@:4]2([H:11])[O:5][C@@:6]12[H:12],[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3][C@@:4]2([H:11])[O:5][C@@:6]12[H:12],"InChI=1S/C5H6O/c1-2-4-5(3-1)6-4/h1-2,4-5H,3H2/t4-,5+/m1/s1","InChI=1S/C5H6O/c1-2-4-5(3-1)6-4/h4-5H,1-2H2/t4-,5+/m0/s1",69.26053,71.87397,Singlet_Carbene_Intra_Disproportionation
7577,[C:1]1([H:7])([H:8])[C:2]([H:9])=[C:3]([H:10])[C@@:4]2([H:11])[O:5][C@@:6]12[H:12],[C:1]1([H:8])=[C:2]([H:9])[C:3]([H:10])=[C:4]([H:11])[O:5][C:6]1([H:7])[H:12],"InChI=1S/C5H6O/c1-2-4-5(3-1)6-4/h1-2,4-5H,3H2/t4-,5+/m1/s1","InChI=1S/C5H6O/c1-2-4-6-5-3-1/h1-4H,5H2",52.77036,-13.791870000000001,
7578,[C:1]1([H:7])([H:8])[C:2]([H:9])=[C:3]([H:10])[C@@:4]2([H:11])[O:5][C@@:6]12[H:12],[C:1]1([H:7])([H:8])[C:2]([H:9])=[C:3]([H:10])[C@:4]([O:5][H:12])([H:11])[C:6]1,"InChI=1S/C5H6O/c1-2-4-5(3-1)6-4/h1-2,4-5H,3H2/t4-,5+/m1/s1","InChI=1S/C5H6O/c6-5-3-1-2-4-5/h1,3,5-6H,2H2/t5-/m1/s1",63.94709,62.10793,
7579,[C:1]1([H:7])([H:8])[C:2]([H:9])=[C:3]([H:10])[C@@:4]2([H:11])[O:5][C@@:6]12[H:12],[C:1]1([H:7])([H:8])[C-:2]=[C:3]([H:10])[C:4]2=[O+:5][C@@:6]12[H:12].[H:9][H:11],"InChI=1S/C5H6O/c1-2-4-5(3-1)6-4/h1-2,4-5H,3H2/t4-,5+/m1/s1","InChI=1S/C5H4O.H2/c1-2-4-5(3-1)6-4;/h2,5H,3H2;1H/t5-;/m0./s1",154.05617,98.47069,
7580,[C:1]1([H:7])([H:8])[C:2]([H:9])=[C:3]([H:10])[C@@:4]2([H:11])[O:5][C@@:6]12[H:12],[C:1](=[C:2](/[C:3](=[C:4](\[C:6](=[O:5])[H:12])[H:11])[H:10])[H:9])([H:7])[H:8],"InChI=1S/C5H6O/c1-2-4-5(3-1)6-4/h1-2,4-5H,3H2/t4-,5+/m1/s1","InChI=1S/C5H6O/c1-2-3-4-5-6/h2-5H,1H2/b4-3-",29.930909999999997,-12.5982,
7581,[C:1]1([H:7])([H:8])[C:2]([H:9])=[C:3]([H:10])[C@@:4]2([H:11])[O:5][C@@:6]12[H:12],[C:1]1([H:7])([H:8])[C+:2]([H:9])[C:3]([H:10])=[C-:4][C@:6]1([O:5][H:11])[H:12],"InChI=1S/C5H6O/c1-2-4-5(3-1)6-4/h1-2,4-5H,3H2/t4-,5+/m1/s1","InChI=1S/C5H6O/c6-5-3-1-2-4-5/h1-2,5-6H,3H2/t5-/m0/s1",59.0318,48.2433,
7582,[C:1]1([H:7])([H:8])[C:2]([H:9])=[C:3]([H:10])[C@@:4]2([H:11])[O:5][C@@:6]12[H:12],[C:1]1([H:7])([H:8])[C-:2]([H:9])[C:3]([H:10])([H:11])[C:4]2=[O+:5][C@@:6]12[H:12],"InChI=1S/C5H6O/c1-2-4-5(3-1)6-4/h1-2,4-5H,3H2/t4-,5+/m1/s1","InChI=1S/C5H6O/c1-2-4-5(3-1)6-4/h1,4H,2-3H2/t4-/m0/s1",94.11818000000001,64.55969,
7583,[C:1]1([H:7])([H:8])[C:2]([H:9])=[C:3]([H:10])[C@@:4]2([H:11])[O:5][C@@:6]12[H:12],[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@:3]3([H:10])[C@@:4]2([H:11])[C@@:6]1([H:12])[O:5]3,"InChI=1S/C5H6O/c1-2-4-5(3-1)6-4/h1-2,4-5H,3H2/t4-,5+/m1/s1","InChI=1S/C5H6O/c1-2-4-3(1)6-5(2)4/h2-5H,1H2/t2-,3+,4-,5-/m1/s1",79.95187,38.47396,
7584,[C:1]1([H:7])([H:8])[C:2]([H:9])=[C:3]([H:10])[C@@:4]2([H:11])[O:5][C@@:6]12[H:12],[C:1]([C:2](=[C:3])[H:9])([C@@:6]1([H:12])[C:4]([H:10])([H:11])[O:5]1)([H:7])[H:8],"InChI=1S/C5H6O/c1-2-4-5(3-1)6-4/h1-2,4-5H,3H2/t4-,5+/m1/s1","InChI=1S/C5H6O/c1-2-3-5-4-6-5/h2,5H,3-4H2/t5-/m0/s1",78.31791,80.91769000000001,
7585,[C:1]1([H:7])([H:8])[C:2]([H:9])=[C:3]([H:10])[C@@:4]2([H:11])[O:5][C@@:6]12[H:12],[C:1](=[C:6]([O:5]/[C:4](=[C:3](\[C:2][H:9])[H:10])[H:11])[H:12])([H:7])[H:8],"InChI=1S/C5H6O/c1-2-4-5(3-1)6-4/h1-2,4-5H,3H2/t4-,5+/m1/s1","InChI=1S/C5H6O/c1-3-5-6-4-2/h1,3-5H,2H2/b5-3-",72.46964,70.23879000000001,
7586,[C:1]1([H:7])([H:8])[C:2]([H:9])=[C:3]([H:10])[C@@:4]2([H:11])[O:5][C@@:6]12[H:12],[C:1]1([H:7])([H:8])[C@:2]2([H:9])[C:3]([H:10])=[C:4]([H:11])[O:5][C@@:6]12[H:12],"InChI=1S/C5H6O/c1-2-4-5(3-1)6-4/h1-2,4-5H,3H2/t4-,5+/m1/s1","InChI=1S/C5H6O/c1-2-6-5-3-4(1)5/h1-2,4-5H,3H2/t4-,5-/m0/s1",71.7577,69.96412,
7587,[C:1]1([H:7])([H:8])[C:2]([H:9])=[C:3]([H:10])[C@@:4]2([H:11])[O:5][C@@:6]12[H:12],[C:1]1([H:7])([H:8])[C:2]([H:9])=[C:3]([H:10])[C-:4]=[O+:5][C:6]1([H:11])[H:12],"InChI=1S/C5H6O/c1-2-4-5(3-1)6-4/h1-2,4-5H,3H2/t4-,5+/m1/s1","InChI=1S/C5H6O/c1-2-4-6-5-3-1/h1-2H,3,5H2",67.49834,31.446440000000003,
7588,[C:1]1([H:7])([H:8])[C:2]([H:9])=[C:3]([H:10])[C@@:4]2([H:11])[O:5][C@@:6]12[H:12],[C:1]([C@@:6]1([H:12])[C@:4]([C:3](=[C:2])[H:10])([H:11])[O:5]1)([H:7])([H:8])[H:9],"InChI=1S/C5H6O/c1-2-4-5(3-1)6-4/h1-2,4-5H,3H2/t4-,5+/m1/s1","InChI=1S/C5H6O/c1-3-5-4(2)6-5/h3-5H,2H3/t4-,5+/m0/s1",76.3747,76.9882,
7589,[C:1]1([H:7])([H:8])[C:2]([H:9])=[C:3]([H:10])[C@@:4]2([H:11])[O:5][C@@:6]12[H:12],[C:1]1([H:7])([H:8])[C:2]([H:9])=[C:3]([H:10])[C@@:4]([C:6][H:12])([H:11])[O:5]1,"InChI=1S/C5H6O/c1-2-4-5(3-1)6-4/h1-2,4-5H,3H2/t4-,5+/m1/s1","InChI=1S/C5H6O/c1-5-3-2-4-6-5/h1-3,5H,4H2/t5-/m0/s1",102.03676,77.94188,
7590,[C:1]1([H:7])([H:8])[C:2]([H:9])=[C:3]([H:10])[C@@:4]2([H:11])[O:5][C@@:6]12[H:12],[C:1]1([H:7])([H:8])[C:2]([H:9])=[C:3]([H:10])[C@:4]1([O+:5]=[C-:6][H:12])[H:11],"InChI=1S/C5H6O/c1-2-4-5(3-1)6-4/h1-2,4-5H,3H2/t4-,5+/m1/s1","InChI=1S/C5H6O/c1-6-5-3-2-4-5/h1-3,5H,4H2/t5-/m1/s1",105.55563000000001,70.54825,
7591,[C:1]1([H:7])([H:8])[C:2]([H:9])=[C:3]([H:10])[C@@:4]2([H:11])[O:5][C@@:6]12[H:12],[C:1]1([H:7])([H:8])[C:2][C:3]([H:9])([H:10])[C@@:4]2([H:11])[O:5][C@@:6]12[H:12],"InChI=1S/C5H6O/c1-2-4-5(3-1)6-4/h1-2,4-5H,3H2/t4-,5+/m1/s1","InChI=1S/C5H6O/c1-2-4-5(3-1)6-4/h4-5H,2-3H2/t4-,5+",70.94613000000001,71.12052,Singlet_Carbene_Intra_Disproportionation
7592,[C:1]1([H:7])([H:8])[C:2]([H:9])=[C:3]([H:10])[C@@:4]2([H:11])[O:5][C@@:6]12[H:12],[C:1]([C:2]1([H:9])[C:3]([H:10])=[C:4]1[H:11])([C:6](=[O:5])[H:12])([H:7])[H:8],"InChI=1S/C5H6O/c1-2-4-5(3-1)6-4/h1-2,4-5H,3H2/t4-,5+/m1/s1","InChI=1S/C5H6O/c6-4-3-5-1-2-5/h1-2,4-5H,3H2",56.54721,24.7216,
7593,[C:1]1([H:7])([H:8])[C:2]([H:9])=[C:3]([H:10])[C@@:4]2([H:11])[O:5][C@@:6]12[H:12],[C:1]1([H:7])=[C:2]=[C:3]([H:10])[C@@:4]2([H:11])[O:5][C@@:6]12[H:12].[H:8][H:9],"InChI=1S/C5H6O/c1-2-4-5(3-1)6-4/h1-2,4-5H,3H2/t4-,5+/m1/s1","InChI=1S/C5H4O.H2/c1-2-4-5(3-1)6-4;/h2-5H;1H/t4-,5+;",104.48674,93.69824,
7594,[C:1]1([H:7])([H:8])[C:2]([H:9])=[C:3]([H:10])[C@@:4]2([H:11])[O:5][C@@:6]12[H:12],[C:1]([C:2](=[C:3]=[C:4]([H:10])[H:11])[H:9])([C:6](=[O:5])[H:12])([H:7])[H:8],"InChI=1S/C5H6O/c1-2-4-5(3-1)6-4/h1-2,4-5H,3H2/t4-,5+/m1/s1","InChI=1S/C5H6O/c1-2-3-4-5-6/h3,5H,1,4H2",62.99624,1.4089399999999999,
7595,[C:1]([C@:2]12[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C@@:5]1([H:14])[O:6]2)([H:7])([H:8])[H:9],[C:1](=[C:2]1[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C-:5]=[O+:6]1)([H:8])[H:9].[H:7][H:14],"InChI=1S/C5H8O/c1-5-3-2-4(5)6-5/h4H,2-3H2,1H3/t4-,5+/m1/s1",InChI=1S/C5H6O.H2/c1-5-3-2-4-6-5;/h1-3H2;1H,95.4735,42.76024,
7596,[C:1]([C@:2]12[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C@@:5]1([H:14])[O:6]2)([H:7])([H:8])[H:9],[C:1]([C:2]1([O+:6]=[C-:5][H:14])[C:3]([H:10])([H:11])[C:4]1([H:12])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-5-3-2-4(5)6-5/h4H,2-3H2,1H3/t4-,5+/m1/s1","InChI=1S/C5H8O/c1-5(6-2)3-4-5/h2H,3-4H2,1H3",74.37534000000001,48.85467,
7597,[C:1]([C@:2]12[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C@@:5]1([H:14])[O:6]2)([H:7])([H:8])[H:9],[C:1]([C@:2]1([O:6][H:14])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]1)([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-5-3-2-4(5)6-5/h4H,2-3H2,1H3/t4-,5+/m1/s1","InChI=1S/C5H8O/c1-5(6)3-2-4-5/h6H,2-3H2,1H3/t5-/m0/s1",62.23166,61.480180000000004,
7598,[C:1]([C@:2]12[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C@@:5]1([H:14])[O:6]2)([H:7])([H:8])[H:9],[C:1]([C:2]1([C:3]([H:10])([H:11])[H:12])[C@:5]([C:4][H:13])([H:14])[O:6]1)([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-5-3-2-4(5)6-5/h4H,2-3H2,1H3/t4-,5+/m1/s1","InChI=1S/C5H8O/c1-4-5(2,3)6-4/h1,4H,2-3H3/t4-/m1/s1",72.67826,65.01279,
7599,[C:1]([C@:2]12[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C@@:5]1([H:14])[O:6]2)([H:7])([H:8])[H:9],[C:1]([C:2]1([C:5](=[O:6])[H:14])[C:3]([H:10])([H:11])[C:4]1([H:12])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-5-3-2-4(5)6-5/h4H,2-3H2,1H3/t4-,5+/m1/s1","InChI=1S/C5H8O/c1-5(4-6)2-3-5/h4H,2-3H2,1H3",37.093920000000004,-24.93743,
7600,[C:1]([C@:2]12[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C@@:5]1([H:14])[O:6]2)([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:14])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C-:5]=[O+:6]1)([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-5-3-2-4(5)6-5/h4H,2-3H2,1H3/t4-,5+/m1/s1","InChI=1S/C5H8O/c1-5-3-2-4-6-5/h5H,2-3H2,1H3/t5-/m0/s1",58.0391,12.2877,
7601,[C:1]([C@:2]12[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C@@:5]1([H:14])[O:6]2)([H:7])([H:8])[H:9],[C:1]([C@:2]12[C:3]([H:11])=[C:4]([H:12])[C@@:5]1([H:14])[O:6]2)([H:7])([H:8])[H:9].[H:10][H:13],"InChI=1S/C5H8O/c1-5-3-2-4(5)6-5/h4H,2-3H2,1H3/t4-,5+/m1/s1","InChI=1S/C5H6O.H2/c1-5-3-2-4(5)6-5;/h2-4H,1H3;1H/t4-,5+;/m1./s1",120.64186000000001,48.73086,
7602,[C:1]([C@:2]12[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C@@:5]1([H:14])[O:6]2)([H:7])([H:8])[H:9],[C:1]([C-:2]=[O+:6][C:5]1([H:14])[C:3]([H:10])([H:11])[C:4]1([H:12])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-5-3-2-4(5)6-5/h4H,2-3H2,1H3/t4-,5+/m1/s1","InChI=1S/C5H8O/c1-2-6-5-3-4-5/h5H,3-4H2,1H3",74.53574,42.152029999999996,
7603,[C:1]([C@:2]12[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C@@:5]1([H:14])[O:6]2)([H:7])([H:8])[H:9],[C:1]([C+:2]=[C:5]([O-:6])[H:14])([H:7])([H:8])[H:9].[C:3](=[C:4]([H:12])[H:13])([H:10])[H:11],"InChI=1S/C5H8O/c1-5-3-2-4(5)6-5/h4H,2-3H2,1H3/t4-,5+/m1/s1","InChI=1S/C3H4O.C2H4/c1-2-3-4;1-2/h3H,1H3;1-2H2",83.2169,60.90538000000001,
7604,[C:1]([C@:2]12[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C@@:5]1([H:14])[O:6]2)([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:12])[C:3]([H:10])([H:11])[C@:4]2([H:13])[C@@:5]1([H:14])[O:6]2)([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-5-3-2-4(5)6-5/h4H,2-3H2,1H3/t4-,5+/m1/s1","InChI=1S/C5H8O/c1-3-2-4-5(3)6-4/h3-5H,2H2,1H3/t3-,4+,5-/m0/s1",89.74920999999999,3.6864800000000004,
7605,[C:1]([C@:2]12[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C@@:5]1([H:14])[O:6]2)([H:7])([H:8])[H:9],[C:1]([C@:2]1([C:3]([C:4]([H:12])([H:13])[H:14])([H:10])[H:11])[C-:5]=[O+:6]1)([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-5-3-2-4(5)6-5/h4H,2-3H2,1H3/t4-,5+/m1/s1","InChI=1S/C5H8O/c1-3-5(2)4-6-5/h3H2,1-2H3/t5-/m0/s1",56.63746,27.74349,
7606,[C:1]([C@:2]12[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C@@:5]1([H:14])[O:6]2)([H:7])([H:8])[H:9],[C:1]([C:2][C@@:5]1([H:14])[C:4]([H:12])([H:13])[C:3]([H:10])([H:11])[O:6]1)([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-5-3-2-4(5)6-5/h4H,2-3H2,1H3/t4-,5+/m1/s1","InChI=1S/C5H8O/c1-2-5-3-4-6-5/h5H,3-4H2,1H3/t5-/m0/s1",94.37655,70.73155,
7607,[C:1]([C@:2]12[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C@@:5]1([H:14])[O:6]2)([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]([H:10])[H:11])[O:6][C:5](=[C:4]([H:12])[H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-5-3-2-4(5)6-5/h4H,2-3H2,1H3/t4-,5+/m1/s1","InChI=1S/C5H8O/c1-4-6-5(2)3/h4H,1-2H2,3H3",77.08396,-13.84645,
7608,[C:1]([C@:2]12[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C@@:5]1([H:14])[O:6]2)([H:7])([H:8])[H:9],[C:1]([C:2]([C:5]1([H:14])[C:3]([H:10])([H:11])[C:4]1([H:12])[H:13])=[O:6])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-5-3-2-4(5)6-5/h4H,2-3H2,1H3/t4-,5+/m1/s1","InChI=1S/C5H8O/c1-4(6)5-2-3-5/h5H,2-3H2,1H3",40.37927,-26.509520000000002,
7609,[C:1]([C@:2]12[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C@@:5]1([H:14])[O:6]2)([H:7])([H:8])[H:9],[C:1]([C:3]([C:4]([C@:5]1([H:14])[C-:2]=[O+:6]1)([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-5-3-2-4(5)6-5/h4H,2-3H2,1H3/t4-,5+/m1/s1","InChI=1S/C5H8O/c1-2-3-5-4-6-5/h5H,2-3H2,1H3/t5-/m1/s1",96.74772,32.045190000000005,
7610,[C:1]([C@:2]12[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C@@:5]1([H:14])[O:6]2)([H:7])([H:8])[H:9],[C:1]([C@@:2]1([C:5][H:14])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[O:6]1)([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-5-3-2-4(5)6-5/h4H,2-3H2,1H3/t4-,5+/m1/s1","InChI=1S/C5H8O/c1-5(2)3-4-6-5/h1H,3-4H2,2H3/t5-/m0/s1",94.94481,69.80875999999999,
7611,[C:1]([C@:2]12[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C@@:5]1([H:14])[O:6]2)([H:7])([H:8])[H:9],[C:1]([O:6][C@@:5]1([H:14])[C:2][C:3]([H:10])([H:11])[C:4]1([H:12])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-5-3-2-4(5)6-5/h4H,2-3H2,1H3/t4-,5+/m1/s1","InChI=1S/C5H8O/c1-6-5-3-2-4-5/h5H,2-3H2,1H3/t5-/m1/s1",98.05398000000001,80.89593,
7612,[C:1]([C@:2]12[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C@@:5]1([H:14])[O:6]2)([H:7])([H:8])[H:9],[C:1]([C:2]1=[O+:6][C-:5]([H:14])[C:4]([H:12])([H:13])[C:3]1([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-5-3-2-4(5)6-5/h4H,2-3H2,1H3/t4-,5+/m1/s1","InChI=1S/C5H8O/c1-5-3-2-4-6-5/h4H,2-3H2,1H3",44.70143,17.98326,
7613,[C:1]([C@:2]12[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C@@:5]1([H:14])[O:6]2)([H:7])([H:8])[H:9],[C:1]([C@:2]1([H:11])[C@:5]([C:4]([C:3][H:10])([H:12])[H:13])([H:14])[O:6]1)([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-5-3-2-4(5)6-5/h4H,2-3H2,1H3/t4-,5+/m1/s1","InChI=1S/C5H8O/c1-3-5-4(2)6-5/h1,4-5H,3H2,2H3/t4-,5-/m1/s1",75.46014,78.28823,
7614,[C:1]([C@:2]12[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C@@:5]1([H:14])[O:6]2)([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([C:4]([C:5][H:14])([H:12])[H:13])([H:10])[H:11])=[O:6])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-5-3-2-4(5)6-5/h4H,2-3H2,1H3/t4-,5+/m1/s1","InChI=1S/C5H8O/c1-3-4-5(2)6/h1H,3-4H2,2H3",47.6142,51.19703,
7615,[C:1]([C@:2]12[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C@@:5]1([H:14])[O:6]2)([H:7])([H:8])[H:9],[C:1]([C@:2]1([C:3][H:11])[C@:5]([C:4]([H:10])([H:12])[H:13])([H:14])[O:6]1)([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-5-3-2-4(5)6-5/h4H,2-3H2,1H3/t4-,5+/m1/s1","InChI=1S/C5H8O/c1-4-5(2,3)6-4/h2,4H,1,3H3/t4-,5-/m1/s1",73.19852,65.93167,
7616,[C:1]([C@:2]12[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C@@:5]1([H:14])[O:6]2)([H:7])([H:8])[H:9],[C:1](=[C:2]1[C@:5]([C:4]([C:3]([H:7])([H:10])[H:11])([H:12])[H:13])([H:14])[O:6]1)([H:8])[H:9],"InChI=1S/C5H8O/c1-5-3-2-4(5)6-5/h4H,2-3H2,1H3/t4-,5+/m1/s1","InChI=1S/C5H8O/c1-3-5-4(2)6-5/h5H,2-3H2,1H3/t5-/m1/s1",87.43009,-3.4830099999999997,
7617,[C:1]1([H:6])([H:7])[C:2]([H:8])([H:9])[C@@:3]2([H:10])[O:4][C@@:5]12[H:11],[C:1]([C:2]([C@@:3]1([H:10])[O+:4]=[C-:5]1)([H:8])[H:9])([H:6])([H:7])[H:11],"InChI=1S/C4H6O/c1-2-4-3(1)5-4/h3-4H,1-2H2/t3-,4+","InChI=1S/C4H6O/c1-2-4-3-5-4/h4H,2H2,1H3/t4-/m1/s1",56.66104,26.37433,
7618,[C:1]1([H:6])([H:7])[C:2]([H:8])([H:9])[C@@:3]2([H:10])[O:4][C@@:5]12[H:11],[C:1]1([H:6])([H:7])[C:2]([H:8])([H:9])[C:5]1([C:3](=[O:4])[H:10])[H:11],"InChI=1S/C4H6O/c1-2-4-3(1)5-4/h3-4H,1-2H2/t3-,4+","InChI=1S/C4H6O/c5-3-4-1-2-4/h3-4H,1-2H2",40.120059999999995,-27.44005,
7619,[C:1]1([H:6])([H:7])[C:2]([H:8])([H:9])[C@@:3]2([H:10])[O:4][C@@:5]12[H:11],[C:1]([C@@:5]1([H:11])[C@:3]([C:2]([H:6])([H:8])[H:9])([H:10])[O:4]1)[H:7],"InChI=1S/C4H6O/c1-2-4-3(1)5-4/h3-4H,1-2H2/t3-,4+","InChI=1S/C4H6O/c1-3-4(2)5-3/h1,3-4H,2H3/t3-,4+/m0/s1",72.10694000000001,63.946459999999995,
7620,[C:1]1([H:6])([H:7])[C:2]([H:8])([H:9])[C@@:3]2([H:10])[O:4][C@@:5]12[H:11],[C:1]1([H:6])([H:7])[C:2]([H:8])([H:9])[C:3]([H:10])=[O+:4][C-:5]1[H:11],"InChI=1S/C4H6O/c1-2-4-3(1)5-4/h3-4H,1-2H2/t3-,4+","InChI=1S/C4H6O/c1-2-4-5-3-1/h3-4H,1-2H2",50.11696,17.464920000000003,
7621,[C:1]1([H:6])([H:7])[C:2]([H:8])([H:9])[C@@:3]2([H:10])[O:4][C@@:5]12[H:11],[C:1]1([H:6])([H:7])[C:2]([H:8])([H:9])[C-:3]=[O+:4][C:5]1([H:10])[H:11],"InChI=1S/C4H6O/c1-2-4-3(1)5-4/h3-4H,1-2H2/t3-,4+",InChI=1S/C4H6O/c1-2-4-5-3-1/h1-3H2,58.422180000000004,10.313839999999999,
7622,[C:1]1([H:6])([H:7])[C:2]([H:8])([H:9])[C@@:3]2([H:10])[O:4][C@@:5]12[H:11],[C:1]1([H:6])([H:7])[C:2]([H:8])([H:9])[C:3][C@:5]1([O:4][H:10])[H:11],"InChI=1S/C4H6O/c1-2-4-3(1)5-4/h3-4H,1-2H2/t3-,4+","InChI=1S/C4H6O/c5-4-2-1-3-4/h4-5H,1-2H2/t4-/m0/s1",62.74933000000001,62.42065,
7623,[C:1]1([H:6])([H:7])[C:2]([H:8])([H:9])[C@@:3]2([H:10])[O:4][C@@:5]12[H:11],[C:1](=[C:5]([O:4][C:3](=[C:2]([H:8])[H:9])[H:10])[H:11])([H:6])[H:7],"InChI=1S/C4H6O/c1-2-4-3(1)5-4/h3-4H,1-2H2/t3-,4+","InChI=1S/C4H6O/c1-3-5-4-2/h3-4H,1-2H2",53.39971,-16.12049,
7624,[C:1]1([H:6])([H:7])[C:2]([H:8])([H:9])[C@@:3]2([H:10])[O:4][C@@:5]12[H:11],[C:1]1([H:6])([H:7])[C:2]([H:8])([H:9])[C:5]1([O+:4]=[C-:3][H:10])[H:11],"InChI=1S/C4H6O/c1-2-4-3(1)5-4/h3-4H,1-2H2/t3-,4+","InChI=1S/C4H6O/c1-5-4-2-3-4/h1,4H,2-3H2",72.51827,47.838609999999996,
7625,[C:1]1([H:6])([H:7])[C:2]([H:8])([H:9])[C@@:3]2([H:10])[O:4][C@@:5]12[H:11],[C:1]1([H:6])([H:7])[C:2]([H:8])([H:9])[O:4][C@@:5]1([C:3][H:10])[H:11],"InChI=1S/C4H6O/c1-2-4-3(1)5-4/h3-4H,1-2H2/t3-,4+","InChI=1S/C4H6O/c1-4-2-3-5-4/h1,4H,2-3H2/t4-/m1/s1",96.45817,70.77497,
7626,[C:1]([C:2]([N:3]([C:4]([H:12])([H:13])[H:14])[C:5](=[O:6])[H:15])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](/[N:3]=[C:5](/[O:6][C:4]([H:12])([H:13])[H:14])[H:15])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-3-5(2)4-6/h4H,3H2,1-2H3","InChI=1S/C4H9NO/c1-3-5-4-6-2/h4H,3H2,1-2H3/b5-4+",62.821769999999994,16.19645,ketoenol
7627,[C:1]([C:2]([N:3]([C:4]([H:12])([H:13])[H:14])[C:5](=[O:6])[H:15])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([N:3]1[C@:5]([C:4]([H:12])([H:13])[H:14])([H:15])[O:6]1)([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-3-5(2)4-6/h4H,3H2,1-2H3","InChI=1S/C4H9NO/c1-3-5-4(2)6-5/h4H,3H2,1-2H3/t4-,5?/m1/s1",94.99051,66.2128,
7628,[C:1]([C:2]([N:3]([C:4]([H:12])([H:13])[H:14])[C:5](=[O:6])[H:15])([H:10])[H:11])([H:7])([H:8])[H:9],[C-:5]#[O+:6].[C:1]([C:2]([N:3]([C:4]([H:12])([H:13])[H:14])[H:15])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-3-5(2)4-6/h4H,3H2,1-2H3","InChI=1S/C3H9N.CO/c1-3-4-2;1-2/h4H,3H2,1-2H3;",74.79384,17.14461,"1,2_Insertion_CO"
7629,[C:1]([C:2]([N:3]([C:4]([H:12])([H:13])[H:14])[C:5](=[O:6])[H:15])([H:10])[H:11])([H:7])([H:8])[H:9],[C-:5]#[O+:6].[C:1](/[C:2](=[N:3]\[C:4]([H:12])([H:13])[H:14])[H:11])([H:7])([H:8])[H:9].[H:10][H:15],"InChI=1S/C4H9NO/c1-3-5(2)4-6/h4H,3H2,1-2H3","InChI=1S/C3H7N.CO.H2/c1-3-4-2;1-2;/h3H,1-2H3;;1H/b4-3-;;",71.04687,38.37605,
7630,[C:1]([C:2]([N:3]([C:4]([H:12])([H:13])[H:14])[C:5](=[O:6])[H:15])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:6][C:5](=[N+:3]([C-:2]([H:10])[H:11])[C:4]([H:12])([H:13])[H:14])[H:15])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-3-5(2)4-6/h4H,3H2,1-2H3","InChI=1S/C4H9NO/c1-5(2)4-6-3/h4H,1H2,2-3H3",83.79542,69.27375,
7631,[C:1]([C:2]([N:3]([C:4]([H:12])([H:13])[H:14])[C:5](=[O:6])[H:15])([H:10])[H:11])([H:7])([H:8])[H:9],[C-:5]#[O+:6].[C:1]([H:7])([H:8])([H:9])[H:15].[C:2](=[N:3][C:4]([H:12])([H:13])[H:14])([H:10])[H:11],"InChI=1S/C4H9NO/c1-3-5(2)4-6/h4H,3H2,1-2H3","InChI=1S/C2H5N.CO.CH4/c1-3-2;1-2;/h1H2,2H3;;1H4",81.22479,27.60983,
7632,[C:1]([C:2]([N:3]([C:4]([H:12])([H:13])[H:14])[C:5](=[O:6])[H:15])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([N+:3]([C-:4]([H:13])[H:14])([C:5](=[O:6])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-3-5(2)4-6/h4H,3H2,1-2H3","InChI=1S/C4H9NO/c1-3-5(2)4-6/h4-5H,2-3H2,1H3",89.55102,71.36869,
7633,[C:1]([C:2]([N:3]([C:4]([H:12])([H:13])[H:14])[C:5](=[O:6])[H:15])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([O:6]/[C:5](=[N:3]/[C:4]([H:12])([H:13])[H:14])[H:15])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-3-5(2)4-6/h4H,3H2,1-2H3","InChI=1S/C4H9NO/c1-3-6-4-5-2/h4H,3H2,1-2H3/b5-4+",59.81828,15.16857,ketoenol
7634,[C:1]([C:2]([N:3]([C:4]([H:12])([H:13])[H:14])[C:5](=[O:6])[H:15])([H:10])[H:11])([H:7])([H:8])[H:9],[C-:5]#[O+:6].[C:1]([C:2]([N:3]=[C:4]([H:13])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9].[H:12][H:15],"InChI=1S/C4H9NO/c1-3-5(2)4-6/h4H,3H2,1-2H3","InChI=1S/C3H7N.CO.H2/c1-3-4-2;1-2;/h2-3H2,1H3;;1H",72.91944000000001,40.00039,
7635,[C:1]([C:2]([N:3]([C:4]([H:12])([H:13])[H:14])[C:5](=[O:6])[H:15])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]([H:10])[H:11])([H:7])[H:9].[N:3](\[C:4]([H:12])([H:13])[H:14])=[C:5](/[O:6][H:8])[H:15],"InChI=1S/C4H9NO/c1-3-5(2)4-6/h4H,3H2,1-2H3","InChI=1S/C2H5NO.C2H4/c1-3-2-4;1-2/h2H,1H3,(H,3,4);1-2H2",51.83201,28.910690000000002,Retroene
7636,[C:1]([C:2]([N:3]([C:4]([H:12])([H:13])[H:14])[C:5](=[O:6])[H:15])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([N:3]([C:2]([H:10])[H:11])[C:4]([H:12])([H:13])[H:14])([H:7])([H:8])[H:9].[C:5](=[O:6])[H:15],"InChI=1S/C4H9NO/c1-3-5(2)4-6/h4H,3H2,1-2H3","InChI=1S/C3H8N.CHO/c1-4(2)3;1-2/h1H2,2-3H3;1H",114.80053000000001,102.79290999999999,
7637,[C:1]([C:2]([N:3]([C:4]([H:12])([H:13])[H:14])[C:5](=[O:6])[H:15])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([N+:3]([C-:2]([H:10])[H:11])([C:4]([H:12])([H:13])[H:14])[C:5](=[O:6])[H:15])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-3-5(2)4-6/h4H,3H2,1-2H3","InChI=1S/C4H9NO/c1-5(2,3)4-6/h4H,1H2,2-3H3",114.97016,74.91413,
7638,[C:1]([C:2]([N:3]([C:4]([H:12])([H:13])[H:14])[C:5](=[O:6])[H:15])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C-:2]([N+:3]([C:4]([H:12])([H:13])[H:14])([C:5](=[O:6])[H:15])[H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-3-5(2)4-6/h4H,3H2,1-2H3","InChI=1S/C4H9NO/c1-3-5(2)4-6/h3-5H,1-2H3",92.43146,72.45737,
7639,[C:1]([C:2]([N:3]([C:4]([H:12])([H:13])[H:14])[C:5](=[O:6])[H:15])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]1([H:7])([H:9])[C:2]([H:10])([H:11])[N:3]([C:4]([H:12])([H:13])[H:14])[C@@:5]1([O:6][H:8])[H:15],"InChI=1S/C4H9NO/c1-3-5(2)4-6/h4H,3H2,1-2H3","InChI=1S/C4H9NO/c1-5-3-2-4(5)6/h4,6H,2-3H2,1H3/t4-/m1/s1",90.57863,31.596140000000002,
7640,[N:1]([C:2](=[O:3])[N:4]([H:7])[H:8])([H:5])[H:6],[N:1]([C:2]([O:3][H:8])=[N:4][H:7])([H:5])[H:6],"InChI=1S/CH4N2O/c2-1(3)4/h(H4,2,3,4)","InChI=1S/CH4N2O/c2-1(3)4/h(H4,2,3,4)",41.64082,12.243730000000001,ketoenol
7641,[N:1]([C:2](=[O:3])[N:4]([H:7])[H:8])([H:5])[H:6],[N:1]([C@@:2]1([H:7])[O:3][N:4]1[H:8])([H:5])[H:6],"InChI=1S/CH4N2O/c2-1(3)4/h(H4,2,3,4)","InChI=1S/CH4N2O/c2-1-3-4-1/h1,3H,2H2/t1-/m1/s1",115.39097,79.12745,
7642,[N:1]([C:2](=[O:3])[N:4]([H:7])[H:8])([H:5])[H:6],[N:1](=[C:2]=[O:3])[H:5].[N:4]([H:6])([H:7])[H:8],"InChI=1S/CH4N2O/c2-1(3)4/h(H4,2,3,4)",InChI=1S/CHNO.H3N/c2-1-3;/h2H;1H3,41.10046,15.61699,"1,3_NH3_elimination"
7643,[N:1]([C@@:2]([C:3]([O:4][H:12])([H:10])[H:11])([C:5]#[N:6])[H:9])([H:7])[H:8],[N:1]([N:6]=[C:5]=[C:2]([C:3]([O:4][H:12])([H:10])[H:11])[H:9])([H:7])[H:8],"InChI=1S/C3H6N2O/c4-1-3(5)2-6/h3,6H,2,5H2/t3-/m1/s1","InChI=1S/C3H6N2O/c4-5-2-1-3-6/h1,6H,3-4H2",80.54767,41.59475,
7644,[N:1]([C@@:2]([C:3]([O:4][H:12])([H:10])[H:11])([C:5]#[N:6])[H:9])([H:7])[H:8],[N:1]([C@@:2]([C:3]([O:4][H:12])([H:10])[H:11])([N+:6]#[C-:5])[H:9])([H:7])[H:8],"InChI=1S/C3H6N2O/c4-1-3(5)2-6/h3,6H,2,5H2/t3-/m1/s1","InChI=1S/C3H6N2O/c1-5-3(4)2-6/h3,6H,2,4H2/t3-/m1/s1",47.2714,22.599520000000002,
7645,[N:1]([C@@:2]([C:3]([O:4][H:12])([H:10])[H:11])([C:5]#[N:6])[H:9])([H:7])[H:8],[N:1]([C:2](=[C:5]=[N:6][C:3]([O:4][H:12])([H:10])[H:11])[H:9])([H:7])[H:8],"InChI=1S/C3H6N2O/c4-1-3(5)2-6/h3,6H,2,5H2/t3-/m1/s1","InChI=1S/C3H6N2O/c4-1-2-5-3-6/h1,6H,3-4H2",63.68114,27.89886,
7646,[N:1]([C@@:2]([C:3]([O:4][H:12])([H:10])[H:11])([C:5]#[N:6])[H:9])([H:7])[H:8],[C:2](=[C:3](/[O:4][H:12])[H:11])(\[C:5]#[N:6])[H:9].[N:1]([H:7])([H:8])[H:10],"InChI=1S/C3H6N2O/c4-1-3(5)2-6/h3,6H,2,5H2/t3-/m1/s1","InChI=1S/C3H3NO.H3N/c4-2-1-3-5;/h1,3,5H;1H3/b3-1+;",70.00094,5.442159999999999,"1,3_NH3_elimination"
7647,[N:1]([C@@:2]([C:3]([O:4][H:12])([H:10])[H:11])([C:5]#[N:6])[H:9])([H:7])[H:8],[C:3]([O:4][H:12])([H:9])([H:10])[H:11].[N:1]([C+:2]=[C:5]=[N-:6])([H:7])[H:8],"InChI=1S/C3H6N2O/c4-1-3(5)2-6/h3,6H,2,5H2/t3-/m1/s1","InChI=1S/C2H2N2.CH4O/c3-1-2-4;1-2/h3H2;2H,1H3",56.1828,51.34212,
7648,[N:1]([C@@:2]([C:3]([O:4][H:12])([H:10])[H:11])([C:5]#[N:6])[H:9])([H:7])[H:8],[N:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[O:4]/[C:5]1=[N:6]\[H:12])([H:7])[H:8],"InChI=1S/C3H6N2O/c4-1-3(5)2-6/h3,6H,2,5H2/t3-/m1/s1","InChI=1S/C3H6N2O/c4-2-1-6-3(2)5/h2,5H,1,4H2/b5-3-/t2-/m0/s1",69.89124,11.196769999999999,
7649,[N:1]([C@@:2]([C:3]([O:4][H:12])([H:10])[H:11])([C:5]#[N:6])[H:9])([H:7])[H:8],[N:1]([C:2]([C:3]([O:4][H:12])([H:10])[H:11])=[C:5]=[N:6][H:9])([H:7])[H:8],"InChI=1S/C3H6N2O/c4-1-3(5)2-6/h3,6H,2,5H2/t3-/m1/s1","InChI=1S/C3H6N2O/c4-1-3(5)2-6/h4,6H,2,5H2",84.53583,20.777739999999998,
7650,[N:1]([C@@:2]([C:3]([O:4][H:12])([H:10])[H:11])([C:5]#[N:6])[H:9])([H:7])[H:8],[C:2](=[C:3]([H:10])[H:11])([C:5]#[N:6])[H:9].[N:1]([O:4][H:12])([H:7])[H:8],"InChI=1S/C3H6N2O/c4-1-3(5)2-6/h3,6H,2,5H2/t3-/m1/s1","InChI=1S/C3H3N.H3NO/c1-2-3-4;1-2/h2H,1H2;2H,1H2",89.90399000000001,52.45933,"1,3_Insertion_ROR"
7651,[N:1]([C@@:2]([C:3]([O:4][H:12])([H:10])[H:11])([C:5]#[N:6])[H:9])([H:7])[H:8],[N:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[O:4][N:6]([H:12])[C:5]1)([H:7])[H:8],"InChI=1S/C3H6N2O/c4-1-3(5)2-6/h3,6H,2,5H2/t3-/m1/s1","InChI=1S/C3H6N2O/c4-3-1-5-6-2-3/h3,5H,2,4H2/t3-/m1/s1",62.02027,71.64945999999999,
7652,[N:1]([C@@:2]([C:3]([O:4][H:12])([H:10])[H:11])([C:5]#[N:6])[H:9])([H:7])[H:8],[C:5]=[N:6][H:8].[N:1](=[C:2](/[C:3]([O:4][H:12])([H:10])[H:11])[H:9])\[H:7],"InChI=1S/C3H6N2O/c4-1-3(5)2-6/h3,6H,2,5H2/t3-/m1/s1","InChI=1S/C2H5NO.CHN/c3-1-2-4;1-2/h1,3-4H,2H2;2H/b3-1+;",55.27098,45.35232,
7653,[N:1]([C@@:2]([C:3]([O:4][H:12])([H:10])[H:11])([C:5]#[N:6])[H:9])([H:7])[H:8],[C:3](=[O:4])([H:10])[H:11].[N:1]([C:2](=[C:5]=[N:6][H:12])[H:9])([H:7])[H:8],"InChI=1S/C3H6N2O/c4-1-3(5)2-6/h3,6H,2,5H2/t3-/m1/s1","InChI=1S/C2H4N2.CH2O/c3-1-2-4;1-2/h1,4H,3H2;1H2",34.29795,41.60327,Retroene
7654,[N:1]([C@@:2]([C:3]([O:4][H:12])([H:10])[H:11])([C:5]#[N:6])[H:9])([H:7])[H:8],[N:1]([C:5]1=[N:6][C@@:2]1([C:3]([O:4][H:12])([H:10])[H:11])[H:9])([H:7])[H:8],"InChI=1S/C3H6N2O/c4-1-3(5)2-6/h3,6H,2,5H2/t3-/m1/s1","InChI=1S/C3H6N2O/c4-3-2(1-6)5-3/h2,6H,1H2,(H2,4,5)/t2-/m1/s1",83.17823,28.326909999999998,
7655,[N:1]([C@@:2]([C:3]([O:4][H:12])([H:10])[H:11])([C:5]#[N:6])[H:9])([H:7])[H:8],[N:1]([C:2](=[C:3]([H:10])[H:11])[C:5]#[N:6])([H:7])[H:8].[O:4]([H:9])[H:12],"InChI=1S/C3H6N2O/c4-1-3(5)2-6/h3,6H,2,5H2/t3-/m1/s1","InChI=1S/C3H4N2.H2O/c1-3(5)2-4;/h1,5H2;1H2",56.34874,6.49788,"1,3_Insertion_ROR"
7656,[N:1]([C@@:2]([C:3]([O:4][H:12])([H:10])[H:11])([C:5]#[N:6])[H:9])([H:7])[H:8],[H:7][H:9].[N:1](=[C:2](/[C:3]([O:4][H:12])([H:10])[H:11])[C:5]#[N:6])\[H:8],"InChI=1S/C3H6N2O/c4-1-3(5)2-6/h3,6H,2,5H2/t3-/m1/s1","InChI=1S/C3H4N2O.H2/c4-1-3(5)2-6;/h5-6H,2H2;1H/b5-3+;",97.43093,22.66393,
7657,[N:1]([C@@:2]([C:3]([O:4][H:12])([H:10])[H:11])([C:5]#[N:6])[H:9])([H:7])[H:8],[N:1]1([H:7])[C@@:2]([C:5]#[N:6])([H:9])[C:3]1([H:10])[H:11].[O:4]([H:8])[H:12],"InChI=1S/C3H6N2O/c4-1-3(5)2-6/h3,6H,2,5H2/t3-/m1/s1","InChI=1S/C3H4N2.H2O/c4-1-3-2-5-3;/h3,5H,2H2;1H2/t3-;/m1./s1",71.48678000000001,25.967570000000002,
7658,[N:1]([C@@:2]([C:3]([O:4][H:12])([H:10])[H:11])([C:5]#[N:6])[H:9])([H:7])[H:8],[H:10][H:12].[N:1]([C@@:2]([C:3](=[O:4])[H:11])([C:5]#[N:6])[H:9])([H:7])[H:8],"InChI=1S/C3H6N2O/c4-1-3(5)2-6/h3,6H,2,5H2/t3-/m1/s1","InChI=1S/C3H4N2O.H2/c4-1-3(5)2-6;/h2-3H,5H2;1H/t3-;/m1./s1",87.08855,24.81446,
7659,[N:1]([C@@:2]([C:3]([O:4][H:12])([H:10])[H:11])([C:5]#[N:6])[H:9])([H:7])[H:8],[C:3](=[O:4])([H:10])[H:11].[H:8][H:12].[N:1](=[C:2](\[C:5]#[N:6])[H:9])\[H:7],"InChI=1S/C3H6N2O/c4-1-3(5)2-6/h3,6H,2,5H2/t3-/m1/s1","InChI=1S/C2H2N2.CH2O.H2/c3-1-2-4;1-2;/h1,3H;1H2;1H/b3-1-;;",64.759,46.62778,
7660,[N:1]([C@@:2]([C:3]([O:4][H:12])([H:10])[H:11])([C:5]#[N:6])[H:9])([H:7])[H:8],[N:1]([C@@:2]([C:3][H:11])([C:5]#[N:6])[H:9])([H:7])[H:8].[O:4]([H:10])[H:12],"InChI=1S/C3H6N2O/c4-1-3(5)2-6/h3,6H,2,5H2/t3-/m1/s1","InChI=1S/C3H4N2.H2O/c1-3(5)2-4;/h1,3H,5H2;1H2/t3-;/m0./s1",76.39001,4.70897,
7661,[O:1]=[C:2]([C:3]#[N:4])[H:5],[O:1]=[C:2]([N+:4]#[C-:3])[H:5],InChI=1S/C2HNO/c3-1-2-4/h2H,InChI=1S/C2HNO/c1-3-2-4/h2H,43.53995,16.32992,
7662,[O:1]=[C:2]([C:3]#[N:4])[H:5],[O+:1](=[C-:2][H:5])[C:3]#[N:4],InChI=1S/C2HNO/c3-1-2-4/h2H,InChI=1S/C2HNO/c1-4-2-3/h1H,97.76293000000001,80.77691999999999,
7663,[O:1]=[C:2]([C:3]#[N:4])[H:5],[C:3](#[N:4])[H:5].[O+:1]#[C-:2],InChI=1S/C2HNO/c3-1-2-4/h2H,InChI=1S/CHN.CO/c2*1-2/h1H;,62.20548,-4.7826,"1,2_Insertion_CO"
7664,[O:1]=[C:2]([C:3]#[N:4])[H:5],[O:1]([C+:2]=[C:3]=[N-:4])[H:5],InChI=1S/C2HNO/c3-1-2-4/h2H,InChI=1S/C2HNO/c3-1-2-4/h4H,78.08957,43.23283,
7665,[O:1]=[C:2]([C:3]#[N:4])[H:5],[O:1]=[N:4][C:3]#[C:2][H:5],InChI=1S/C2HNO/c3-1-2-4/h2H,InChI=1S/C2HNO/c1-2-3-4/h1H,139.87045,82.11256,
7666,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@:4]1([C:5]#[C:6][H:12])[H:11])[H:7],[O:1](/[C:2](=[C:3](/[C:4]([C:5]#[C:6][H:12])([H:10])[H:11])[H:9])[H:8])[H:7],"InChI=1S/C5H6O/c1-2-4-3-5(4)6/h1,4-6H,3H2/t4-,5+/m1/s1","InChI=1S/C5H6O/c1-2-3-4-5-6/h1,4-6H,3H2/b5-4+",69.24529,-8.84344,
7667,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@:4]1([C:5]#[C:6][H:12])[H:11])[H:7],[O:1]([C:2]([C:3]([C-:4]=[C:5]=[C+:6][H:12])([H:9])[H:10])([H:8])[H:11])[H:7],"InChI=1S/C5H6O/c1-2-4-3-5(4)6/h1,4-6H,3H2/t4-,5+/m1/s1","InChI=1S/C5H6O/c1-2-3-4-5-6/h1,6H,4-5H2",59.577119999999994,51.44494,
7668,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@:4]1([C:5]#[C:6][H:12])[H:11])[H:7],[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]1=[C:5]=[C:6]([H:11])[H:12])[H:7],"InChI=1S/C5H6O/c1-2-4-3-5(4)6/h1,4-6H,3H2/t4-,5+/m1/s1","InChI=1S/C5H6O/c1-2-4-3-5(4)6/h5-6H,1,3H2/t5-/m0/s1",88.81248000000001,2.68467,
7669,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@:4]1([C:5]#[C:6][H:12])[H:11])[H:7],[O:1]=[C:2]([C:3]([C:4](=[C:5]=[C:6]([H:7])[H:12])[H:11])([H:9])[H:10])[H:8],"InChI=1S/C5H6O/c1-2-4-3-5(4)6/h1,4-6H,3H2/t4-,5+/m1/s1","InChI=1S/C5H6O/c1-2-3-4-5-6/h3,5H,1,4H2",13.0119,-19.99342,
7670,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@:4]1([C:5]#[C:6][H:12])[H:11])[H:7],[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@:4]1([C:6](=[C:5])[H:12])[H:11])[H:7],"InChI=1S/C5H6O/c1-2-4-3-5(4)6/h1,4-6H,3H2/t4-,5+/m1/s1","InChI=1S/C5H6O/c1-2-4-3-5(4)6/h2,4-6H,3H2/t4-,5+/m1/s1",57.74638,48.75694,Singlet_Carbene_Intra_Disproportionation
7671,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@:4]1([C:5]#[C:6][H:12])[H:11])[H:7],[O:1]=[C:2]([C:3]([C:4]1([H:11])[C:5]([H:7])=[C:6]1[H:12])([H:9])[H:10])[H:8],"InChI=1S/C5H6O/c1-2-4-3-5(4)6/h1,4-6H,3H2/t4-,5+/m1/s1","InChI=1S/C5H6O/c6-4-3-5-1-2-5/h1-2,4-5H,3H2",47.55876,2.72097,
7672,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@:4]1([C:5]#[C:6][H:12])[H:11])[H:7],[O:1]([C:2][C:3]([C:4]([C:5]#[C:6][H:12])([H:8])[H:11])([H:9])[H:10])[H:7],"InChI=1S/C5H6O/c1-2-4-3-5(4)6/h1,4-6H,3H2/t4-,5+/m1/s1","InChI=1S/C5H6O/c1-2-3-4-5-6/h1,6H,3-4H2",50.48943,41.131009999999996,
7673,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@:4]1([C:5]#[C:6][H:12])[H:11])[H:7],[C:3](=[C:4]([C:5]#[C:6][H:12])[H:11])([H:9])[H:10].[O:1]([C:2][H:8])[H:7],"InChI=1S/C5H6O/c1-2-4-3-5(4)6/h1,4-6H,3H2/t4-,5+/m1/s1","InChI=1S/C4H4.CH2O/c1-3-4-2;1-2/h1,4H,2H2;1-2H",54.45527,66.38789,
7674,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@:4]1([C:5]#[C:6][H:12])[H:11])[H:7],[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:6]([H:12])=[C:5]=[C:4]1[H:11])[H:7],"InChI=1S/C5H6O/c1-2-4-3-5(4)6/h1,4-6H,3H2/t4-,5+/m1/s1","InChI=1S/C5H6O/c6-5-3-1-2-4-5/h1,4-6H,3H2/t5-/m0/s1",70.27844,26.244970000000002,
7675,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@:4]1([C:5]#[C:6][H:12])[H:11])[H:7],[O:1]([C@@:2]([C:3]([H:9])([H:10])[H:11])([C-:4]=[C:5]=[C+:6][H:12])[H:8])[H:7],"InChI=1S/C5H6O/c1-2-4-3-5(4)6/h1,4-6H,3H2/t4-,5+/m1/s1","InChI=1S/C5H6O/c1-3-4-5(2)6/h1,5-6H,2H3/t5-/m0/s1",59.577290000000005,50.24935,
7676,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@:4]1([C:5]#[C:6][H:12])[H:11])[H:7],[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])/[C:4]1=[C:5](\[C:6][H:12])[H:11])[H:7],"InChI=1S/C5H6O/c1-2-4-3-5(4)6/h1,4-6H,3H2/t4-,5+/m1/s1","InChI=1S/C5H6O/c1-2-4-3-5(4)6/h1-2,5-6H,3H2/b4-2+/t5-/m0/s1",74.1449,69.94154,
7677,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@:4]1([C:5]#[C:6][H:12])[H:11])[H:7],[C:2]1([H:8])=[C:3]([H:10])[C:4]1([C:5]#[C:6][H:12])[H:11].[O:1]([H:7])[H:9],"InChI=1S/C5H6O/c1-2-4-3-5(4)6/h1,4-6H,3H2/t4-,5+/m1/s1","InChI=1S/C5H4.H2O/c1-2-5-3-4-5;/h1,3-5H;1H2",71.28539,37.16868,
7678,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@:4]1([C:5]#[C:6][H:12])[H:11])[H:7],[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:5](=[C-:6][H:12])[C+:4]1[H:11])[H:7],"InChI=1S/C5H6O/c1-2-4-3-5(4)6/h1,4-6H,3H2/t4-,5+/m1/s1","InChI=1S/C5H6O/c1-4-2-5(6)3-4/h1-2,5-6H,3H2/t5-/m1/s1",58.900830000000006,58.88655,
7679,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])([H:16])[O:6]1)([H:7])([H:8])[H:9],[C:1](/[C:3](=[C:2](/[O:6][C:5]([C:4]([H:11])([H:13])[H:14])([H:15])[H:16])[H:10])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-5-3-2-4-6-5/h5H,2-4H2,1H3/t5-/m0/s1","InChI=1S/C5H10O/c1-3-5-6-4-2/h3,5H,4H2,1-2H3/b5-3+",90.6007,10.4836,
7680,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])([H:16])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]1([O:6][C:5]([H:10])([H:15])[H:16])[C:3]([H:11])([H:12])[C:4]1([H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-5-3-2-4-6-5/h5H,2-4H2,1H3/t5-/m0/s1","InChI=1S/C5H10O/c1-5(6-2)3-4-5/h3-4H2,1-2H3",110.30847,25.34161,
7681,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])([H:16])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C@@:2]([C:3]([C:4]([H:13])([H:14])[H:15])([H:11])[H:12])([O+:6]=[C-:5][H:16])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-5-3-2-4-6-5/h5H,2-4H2,1H3/t5-/m0/s1","InChI=1S/C5H10O/c1-4-5(2)6-3/h3,5H,4H2,1-2H3/t5-/m0/s1",71.31053,61.35756,
7682,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])([H:16])[O:6]1)([H:7])([H:8])[H:9],[C-:2]1=[O+:6][C:5]([H:15])([H:16])[C:4]([H:13])([H:14])[C:3]1([H:11])[H:12].[C:1]([H:7])([H:8])([H:9])[H:10],"InChI=1S/C5H10O/c1-5-3-2-4-6-5/h5H,2-4H2,1H3/t5-/m0/s1",InChI=1S/C4H6O.CH4/c1-2-4-5-3-1;/h1-3H2;1H4,70.63677,53.96657,
7684,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])([H:16])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]([H:11])[H:12])[H:10])([H:7])([H:8])[H:9].[C:4]1([H:13])([H:14])[C:5]([H:15])([H:16])[O:6]1,"InChI=1S/C5H10O/c1-5-3-2-4-6-5/h5H,2-4H2,1H3/t5-/m0/s1","InChI=1S/C3H6.C2H4O/c1-3-2;1-2-3-1/h3H,1H2,2H3;1-2H2",91.0132,43.35315,
7685,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])([H:16])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]1=[C:3]([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])([H:16])[O:6]1)([H:7])([H:8])[H:9].[H:10][H:11],"InChI=1S/C5H10O/c1-5-3-2-4-6-5/h5H,2-4H2,1H3/t5-/m0/s1","InChI=1S/C5H8O.H2/c1-5-3-2-4-6-5;/h3H,2,4H2,1H3;1H",94.75442,22.57722,
7686,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])([H:16])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C-:2]([O+:6]=[C:5]([C:4]([C:3]([H:11])([H:12])[H:15])([H:13])[H:14])[H:16])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-5-3-2-4-6-5/h5H,2-4H2,1H3/t5-/m0/s1","InChI=1S/C5H10O/c1-3-5-6-4-2/h4-5H,3H2,1-2H3",101.88363000000001,55.50075,
7687,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])([H:16])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C-:5]=[O+:6]1)([H:7])([H:8])[H:9].[H:15][H:16],"InChI=1S/C5H10O/c1-5-3-2-4-6-5/h5H,2-4H2,1H3/t5-/m0/s1","InChI=1S/C5H8O.H2/c1-5-3-2-4-6-5;/h5H,2-3H2,1H3;1H/t5-;/m0./s1",71.44032,63.63296999999999,
7688,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])([H:16])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]([C:3](=[C:4]([H:13])[H:14])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9].[C:5](=[O:6])([H:15])[H:16],"InChI=1S/C5H10O/c1-5-3-2-4-6-5/h5H,2-4H2,1H3/t5-/m0/s1","InChI=1S/C4H8.CH2O/c1-3-4-2;1-2/h3H,1,4H2,2H3;1H2",75.79167,25.18159,
7689,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])([H:16])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C:2](=[O:6])[H:10])([H:7])([H:8])[H:9].[C:3](=[C:4]([C:5]([H:13])([H:15])[H:16])[H:14])([H:11])[H:12],"InChI=1S/C5H10O/c1-5-3-2-4-6-5/h5H,2-4H2,1H3/t5-/m0/s1","InChI=1S/C3H6.C2H4O/c1-3-2;1-2-3/h3H,1H2,2H3;2H,1H3",77.32292,15.828710000000001,
7690,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])([H:16])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]([O:6][C:5]1([H:16])[C:3]([H:11])([H:12])[C:4]1([H:13])[H:14])([H:10])[H:15])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-5-3-2-4-6-5/h5H,2-4H2,1H3/t5-/m0/s1","InChI=1S/C5H10O/c1-2-6-5-3-4-5/h5H,2-4H2,1H3",113.20043999999999,26.53991,
7691,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])([H:16])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])=[C:5]([H:15])[O:6]1)([H:7])([H:8])[H:9].[H:14][H:16],"InChI=1S/C5H10O/c1-5-3-2-4-6-5/h5H,2-4H2,1H3/t5-/m0/s1","InChI=1S/C5H8O.H2/c1-5-3-2-4-6-5;/h2,4-5H,3H2,1H3;1H/t5-;/m0./s1",100.14596,24.26409,
7692,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])([H:16])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C:3]([C:2](=[O:6])[H:10])([H:11])[H:12])([H:7])([H:8])[H:9].[C:4](=[C:5]([H:15])[H:16])([H:13])[H:14],"InChI=1S/C5H10O/c1-5-3-2-4-6-5/h5H,2-4H2,1H3/t5-/m0/s1","InChI=1S/C3H6O.C2H4/c1-2-3-4;1-2/h3H,2H2,1H3;1-2H2",81.48014,19.80734,
7693,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])([H:16])[O:6]1)([H:7])([H:8])[H:9],[C-:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C:5]([H:16])=[O+:6]1.[C:1]([H:7])([H:8])([H:9])[H:15],"InChI=1S/C5H10O/c1-5-3-2-4-6-5/h5H,2-4H2,1H3/t5-/m0/s1","InChI=1S/C4H6O.CH4/c1-2-4-5-3-1;/h3-4H,1-2H2;1H4",79.2734,61.1804,
7694,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])([H:16])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[O:6]1)([H:7])([H:8])[H:9].[C:4](=[C:5]([H:15])[H:16])([H:13])[H:14],"InChI=1S/C5H10O/c1-5-3-2-4-6-5/h5H,2-4H2,1H3/t5-/m0/s1","InChI=1S/C3H6O.C2H4/c1-3-2-4-3;1-2/h3H,2H2,1H3;1-2H2/t3-;/m0./s1",93.60902,41.74047,
7695,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])([H:16])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C-:2]=[O+:6][C:5]([C:4]([C:3]([H:10])([H:11])[H:12])([H:13])[H:14])([H:15])[H:16])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-5-3-2-4-6-5/h5H,2-4H2,1H3/t5-/m0/s1","InChI=1S/C5H10O/c1-3-5-6-4-2/h3,5H2,1-2H3",74.05563000000001,60.83947,
7696,[C:1]([C:2]([C:3](=[O:4])[H:11])([C:5](=[O:6])[H:12])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3](=[O:4])[H:11])([H:9])[H:10])([C:5](=[O:6])[H:12])([H:7])[H:8],"InChI=1S/C4H6O2/c1-4(2-5)3-6/h2-4H,1H3","InChI=1S/C4H6O2/c5-3-1-2-4-6/h3-4H,1-2H2",86.55381,2.59323,
7697,[C:1]([C:2]([C:3](=[O:4])[H:11])([C:5](=[O:6])[H:12])[H:10])([H:7])([H:8])[H:9],[C:1]([O:6]/[C:5](=[C:2](\[C:3](=[O:4])[H:11])[H:10])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H6O2/c1-4(2-5)3-6/h2-4H,1H3","InChI=1S/C4H6O2/c1-6-4-2-3-5/h2-4H,1H3/b4-2-",68.66066,13.14454,ketoenol
7698,[C:1]([C:2]([C:3](=[O:4])[H:11])([C:5](=[O:6])[H:12])[H:10])([H:7])([H:8])[H:9],[C:1](/[C:2](=[C:5](/[O:6][C:3](=[O:4])[H:11])[H:12])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H6O2/c1-4(2-5)3-6/h2-4H,1H3","InChI=1S/C4H6O2/c1-2-3-6-4-5/h2-4H,1H3/b3-2+",38.79522,-0.48458,ketoenol
7699,[C:1]([C:2]([C:3](=[O:4])[H:11])([C:5](=[O:6])[H:12])[H:10])([H:7])([H:8])[H:9],[C-:5]#[O+:6].[C:1](/[C:2](=[C:3](/[O:4][H:12])[H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H6O2/c1-4(2-5)3-6/h2-4H,1H3","InChI=1S/C3H6O.CO/c1-2-3-4;1-2/h2-4H,1H3;/b3-2+;",32.3919,3.19551,
7700,[C:1]([C:2]([C:3](=[O:4])[H:11])([C:5](=[O:6])[H:12])[H:10])([H:7])([H:8])[H:9],[C:1]([C@:3]1([H:11])[C:2]([H:10])=[C:5]([H:12])[O:6][O:4]1)([H:7])([H:8])[H:9],"InChI=1S/C4H6O2/c1-4(2-5)3-6/h2-4H,1H3","InChI=1S/C4H6O2/c1-4-2-3-5-6-4/h2-4H,1H3/t4-/m1/s1",72.54348,63.589009999999995,
7701,[C:1]([C:2]([C:3](=[O:4])[H:11])([C:5](=[O:6])[H:12])[H:10])([H:7])([H:8])[H:9],[C:1]([C:3]([C:2]([C:5](=[O:6])[H:12])([H:10])[H:11])=[O:4])([H:7])([H:8])[H:9],"InChI=1S/C4H6O2/c1-4(2-5)3-6/h2-4H,1H3","InChI=1S/C4H6O2/c1-4(6)2-3-5/h3H,2H2,1H3",68.77816,-5.9886800000000004,
7702,[C:1]([C:2]([C:3](=[O:4])[H:11])([C:5](=[O:6])[H:12])[H:10])([H:7])([H:8])[H:9],[C:1](/[C:2](=[C:5](\[O:6][H:8])[H:12])[H:10])([C:3](=[O:4])[H:11])([H:7])[H:9],"InChI=1S/C4H6O2/c1-4(2-5)3-6/h2-4H,1H3","InChI=1S/C4H6O2/c5-3-1-2-4-6/h1,3-5H,2H2/b3-1-",64.87581999999999,5.657369999999999,
7703,[C:1]([C:2]([C:3](=[O:4])[H:11])([C:5](=[O:6])[H:12])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:5]=[O:6])[H:10])([H:7])([H:8])[H:9].[C:3](=[O:4])([H:11])[H:12],"InChI=1S/C4H6O2/c1-4(2-5)3-6/h2-4H,1H3","InChI=1S/C3H4O.CH2O/c1-2-3-4;1-2/h2H,1H3;1H2",51.77367,24.14619,
7704,[C:1]([C:2]([C:3](=[O:4])[H:11])([C:5](=[O:6])[H:12])[H:10])([H:7])([H:8])[H:9],[C:1]1([H:7])([H:9])[C@@:2]2([H:10])[C@:3]1([H:11])[O:4][C@:5]2([O:6][H:8])[H:12],"InChI=1S/C4H6O2/c1-4(2-5)3-6/h2-4H,1H3","InChI=1S/C4H6O2/c5-4-2-1-3(2)6-4/h2-5H,1H2/t2-,3+,4+/m0/s1",73.61957,34.86053,
7705,[C:1]([C:2]([C:3](=[O:4])[H:11])([C:5](=[O:6])[H:12])[H:10])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C@@:3]2([H:11])[O:4][C@:5]1([H:12])[O:6]2)([H:7])([H:8])[H:9],"InChI=1S/C4H6O2/c1-4(2-5)3-6/h2-4H,1H3","InChI=1S/C4H6O2/c1-2-3-5-4(2)6-3/h2-4H,1H3/t2-,3-,4+",71.34397,63.7614,
7706,[C:1]([C:2]([C:3](=[O:4])[H:11])([C:5](=[O:6])[H:12])[H:10])([H:7])([H:8])[H:9],[C:1](/[C:2](=[C:3](/[O:4][H:10])[H:11])[C:5](=[O:6])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H6O2/c1-4(2-5)3-6/h2-4H,1H3","InChI=1S/C4H6O2/c1-4(2-5)3-6/h2-3,5H,1H3/b4-2-",50.028490000000005,-3.9077699999999997,ketoenol
7707,[C:1]([C:2]([C:3](=[O:4])[H:11])([C:5](=[O:6])[H:12])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2](=[O+:4][C:3](=[C:5]([O-:6])[H:12])[H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H6O2/c1-4(2-5)3-6/h2-4H,1H3","InChI=1S/C4H6O2/c1-2-6-4-3-5/h2-4H,1H3",85.08894000000001,43.7995,
7708,[C:1]([C:2]([C:3](=[O:4])[H:11])([C:5](=[O:6])[H:12])[H:10])([H:7])([H:8])[H:9],[C-:5]#[O+:6].[C:1](=[C:2]([C:3](=[O:4])[H:11])[H:10])([H:7])[H:9].[H:8][H:12],"InChI=1S/C4H6O2/c1-4(2-5)3-6/h2-4H,1H3","InChI=1S/C3H4O.CO.H2/c1-2-3-4;1-2;/h2-3H,1H2;;1H",54.43085,26.10616,
7709,[C:1]([C:2]([C:3](=[O:4])[H:11])([C:5](=[O:6])[H:12])[H:10])([H:7])([H:8])[H:9],[C:1]1([H:7])([H:9])[C@@:2]([C:5](=[O:6])[H:12])([H:10])[C@@:3]1([O:4][H:8])[H:11],"InChI=1S/C4H6O2/c1-4(2-5)3-6/h2-4H,1H3","InChI=1S/C4H6O2/c5-2-3-1-4(3)6/h2-4,6H,1H2/t3-,4-/m1/s1",79.21956,15.66099,
7710,[C:1]([C:2]([C:3](=[O:4])[H:11])([C:5](=[O:6])[H:12])[H:10])([H:7])([H:8])[H:9],[C:1]([C@@:2]([C:3](=[O:4])[H:11])([C:5][O:6][H:12])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H6O2/c1-4(2-5)3-6/h2-4H,1H3","InChI=1S/C4H6O2/c1-4(2-5)3-6/h2,4,6H,1H3/t4-/m0/s1",81.99203,56.31612,
7711,[C:1]([n:2]1[c:3]([H:10])[c:4]([H:11])[n:5][n:6]1)([H:7])([H:8])[H:9],[C:1]([N:2]1[C:3]([H:10])=[C+:4][N:5]([H:11])[N-:6]1)([H:7])([H:8])[H:9],"InChI=1S/C3H5N3/c1-6-3-2-4-5-6/h2-3H,1H3","InChI=1S/C3H5N3/c1-6-3-2-4-5-6/h3-4H,1H3",81.13062,38.970620000000004,
7712,[C:1]([n:2]1[c:3]([H:10])[c:4]([H:11])[n:5][n:6]1)([H:7])([H:8])[H:9],[C:1]([n:6]1[n:2][c:3]([H:10])[c:4]([H:11])[n:5]1)([H:7])([H:8])[H:9],"InChI=1S/C3H5N3/c1-6-3-2-4-5-6/h2-3H,1H3","InChI=1S/C3H5N3/c1-6-4-2-3-5-6/h2-3H,1H3",58.04495,-8.175989999999999,
7713,[C:1]([n:2]1[c:3]([H:10])[c:4]([H:11])[n:5][n:6]1)([H:7])([H:8])[H:9],[C:1]([N:2]=[N:6][N:5]=[C:4]=[C:3]([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C3H5N3/c1-6-3-2-4-5-6/h2-3H,1H3","InChI=1S/C3H5N3/c1-3-5-6-4-2/h1H2,2H3",106.47509,47.03474,
7714,[C:1]([n:2]1[c:3]([H:10])[c:4]([H:11])[n:5][n:6]1)([H:7])([H:8])[H:9],[C:1]([N:2]1[C:3]([H:10])([H:11])[C:4]#[N+:5][N-:6]1)([H:7])([H:8])[H:9],"InChI=1S/C3H5N3/c1-6-3-2-4-5-6/h2-3H,1H3","InChI=1S/C3H5N3/c1-6-3-2-4-5-6/h3H2,1H3",82.21379,72.1096,Singlet_Carbene_Intra_Disproportionation
7715,[C:1]([n:2]1[c:3]([H:10])[c:4]([H:11])[n:5][n:6]1)([H:7])([H:8])[H:9],[C:1]([N:2]=[N+:6]=[N-:5])([H:7])([H:8])[H:9].[C:3](#[C:4][H:11])[H:10],"InChI=1S/C3H5N3/c1-6-3-2-4-5-6/h2-3H,1H3",InChI=1S/C2H2.CH3N3/c1-2;1-3-4-2/h1-2H;1H3,75.30034,65.20353,
7716,[C:1]([n:2]1[c:3]([H:10])[c:4]([H:11])[n:5][n:6]1)([H:7])([H:8])[H:9],[C:1]([N:2]=[C:3]=[C:4]([H:10])[H:11])([H:7])([H:8])[H:9].[N:5]#[N:6],"InChI=1S/C3H5N3/c1-6-3-2-4-5-6/h2-3H,1H3","InChI=1S/C3H5N.N2/c1-3-4-2;1-2/h1H2,2H3;",55.55021,-18.77911,
7717,[C:1]([n:2]1[c:3]([H:10])[c:4]([H:11])[n:5][n:6]1)([H:7])([H:8])[H:9],[C:1](/[N:2]=[N:6]/[N:5]1[C:3]([H:10])=[C:4]1[H:11])([H:7])([H:8])[H:9],"InChI=1S/C3H5N3/c1-6-3-2-4-5-6/h2-3H,1H3","InChI=1S/C3H5N3/c1-4-5-6-2-3-6/h2-3H,1H3/b5-4+",99.98945,94.77678,
7718,[C:1]([n:2]1[c:3]([H:10])[c:4]([H:11])[n:5][n:6]1)([H:7])([H:8])[H:9],[C:1]([C@:3]1([H:10])[N:2]=[N:6][N:5]=[C:4]1[H:11])([H:7])([H:8])[H:9],"InChI=1S/C3H5N3/c1-6-3-2-4-5-6/h2-3H,1H3","InChI=1S/C3H5N3/c1-3-2-4-6-5-3/h2-3H,1H3/t3-/m0/s1",62.91215,19.19843,
7719,[C:1]([n:2]1[c:3]([H:10])[c:4]([H:11])[n:5][n:6]1)([H:7])([H:8])[H:9],[C:1]([N:2]([C+:3]=[C:4]([N:5]=[N-:6])[H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C3H5N3/c1-6-3-2-4-5-6/h2-3H,1H3","InChI=1S/C3H5N3/c1-5-2-3-6-4/h3,5H,1H3",86.51059000000001,34.39968,
7720,[C:1]([n:2]1[c:3]([H:10])[c:4]([H:11])[n:5][n:6]1)([H:7])([H:8])[H:9],[C:1](/[N:2]=[C:3](/[C-:4]([N+:5]#[N:6])[H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C3H5N3/c1-6-3-2-4-5-6/h2-3H,1H3","InChI=1S/C3H5N3/c1-5-2-3-6-4/h2-3H,1H3/b5-2+",22.26454,9.97833,
7721,[C:1]([n:2]1[c:3]([H:10])[c:4]([H:11])[n:5][n:6]1)([H:7])([H:8])[H:9],[C:1]([N+:2]([C:3](=[C:4]=[N:5][H:11])[H:10])=[N-:6])([H:7])([H:8])[H:9],"InChI=1S/C3H5N3/c1-6-3-2-4-5-6/h2-3H,1H3","InChI=1S/C3H5N3/c1-6(5)3-2-4/h3-4H,1H3",81.15756999999999,56.00621999999999,
7722,[C:1]([n:2]1[c:3]([H:10])[c:4]([H:11])[n:5][n:6]1)([H:7])([H:8])[H:9],[C-:1]([n+:2]1[c:3]([H:10])[c:4]([H:11])[n:5][n:6]1[H:7])([H:8])[H:9],"InChI=1S/C3H5N3/c1-6-3-2-4-5-6/h2-3H,1H3","InChI=1S/C3H5N3/c1-6-3-2-4-5-6/h2-3,5H,1H2",66.34695,42.82229,
7723,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4](=[O:5])[N:6]([H:14])[H:15])[H:10])([H:7])([H:8])[H:9],[C:1](=[C:2]([C:3]([H:11])([H:12])[H:13])[H:10])([H:7])[H:9].[C:4]([O:5][H:8])[N:6]([H:14])[H:15],"InChI=1S/C4H9NO/c1-3(2)4(5)6/h3H,1-2H3,(H2,5,6)","InChI=1S/C3H6.CH3NO/c1-3-2;2-1-3/h3H,1H2,2H3;3H,2H2",68.07808,68.78919,
7724,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4](=[O:5])[N:6]([H:14])[H:15])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])(/[C:4]([O:5][H:15])=[N:6]\[H:14])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-3(2)4(5)6/h3H,1-2H3,(H2,5,6)","InChI=1S/C4H9NO/c1-3(2)4(5)6/h3H,1-2H3,(H2,5,6)",40.05401,9.33845,ketoenol
7725,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4](=[O:5])[N:6]([H:14])[H:15])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])=[C:4]([O:5][H:10])[N:6]([H:14])[H:15])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-3(2)4(5)6/h3H,1-2H3,(H2,5,6)","InChI=1S/C4H9NO/c1-3(2)4(5)6/h6H,5H2,1-2H3",63.43284,21.25771,ketoenol
7726,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4](=[O:5])[N:6]([H:14])[H:15])[H:10])([H:7])([H:8])[H:9],[C+:2]([C:3]([H:11])([H:12])[H:13])=[C:4]([O-:5])[N:6]([H:14])[H:15].[C:1]([H:7])([H:8])([H:9])[H:10],"InChI=1S/C4H9NO/c1-3(2)4(5)6/h3H,1-2H3,(H2,5,6)","InChI=1S/C3H5NO.CH4/c1-2-3(4)5;/h4H2,1H3;1H4",80.50327,82.27203,
7727,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4](=[O:5])[N:6]([H:14])[H:15])[H:10])([H:7])([H:8])[H:9],[C:1](/[C:2](=[C:4](/[O:5][C:3]([H:11])([H:12])[H:13])[N:6]([H:14])[H:15])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-3(2)4(5)6/h3H,1-2H3,(H2,5,6)","InChI=1S/C4H9NO/c1-3-4(5)6-2/h3H,5H2,1-2H3/b4-3+",86.01783,34.09185,ketoenol
7728,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4](=[O:5])[N:6]([H:14])[H:15])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])=[C:4]=[O:5])([H:7])([H:8])[H:9].[N:6]([H:10])([H:14])[H:15],"InChI=1S/C4H9NO/c1-3(2)4(5)6/h3H,1-2H3,(H2,5,6)",InChI=1S/C4H6O.H3N/c1-4(2)3-5;/h1-2H3;1H3,68.43743,34.459959999999995,"1,3_NH3_elimination"
7729,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4](=[O:5])[N:6]([H:14])[H:15])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:4]=[O:5])[H:10])([H:7])([H:8])[H:9].[C:3]([N:6]([H:14])[H:15])([H:11])([H:12])[H:13],"InChI=1S/C4H9NO/c1-3(2)4(5)6/h3H,1-2H3,(H2,5,6)","InChI=1S/C3H4O.CH5N/c1-2-3-4;1-2/h2H,1H3;2H2,1H3",92.94181,45.09442,
7730,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4](=[O:5])[N:6]([H:14])[H:15])[H:10])([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:14].[C@@:2]1([C:3]([H:11])([H:12])[H:13])([H:10])/[C:4](=[N:6]/[H:15])[O:5]1,"InChI=1S/C4H9NO/c1-3(2)4(5)6/h3H,1-2H3,(H2,5,6)","InChI=1S/C3H5NO.CH4/c1-2-3(4)5-2;/h2,4H,1H3;1H4/b4-3-;/t2-;/m1./s1",82.91072,49.36667,
7731,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4](=[O:5])[N:6]([H:14])[H:15])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])/[C:4](=[N:6]/[H:15])[O:5]1)([H:7])([H:8])[H:9].[H:10][H:14],"InChI=1S/C4H9NO/c1-3(2)4(5)6/h3H,1-2H3,(H2,5,6)","InChI=1S/C4H7NO.H2/c1-4(2)3(5)6-4;/h5H,1-2H3;1H/b5-3-;",78.94801,57.619440000000004,
7732,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4](=[O:5])[N:6]([H:14])[H:15])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([H:10])[H:14])([H:7])([H:8])[H:9].[C:4](=[O:5])=[N:6][H:15],"InChI=1S/C4H9NO/c1-3(2)4(5)6/h3H,1-2H3,(H2,5,6)","InChI=1S/C3H8.CHNO/c1-3-2;2-1-3/h3H2,1-2H3;2H",72.57381,10.94168,
7733,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4](=[O:5])[N:6]([H:14])[H:15])[H:10])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:12])([H:13])[C@:4]1([O:5][H:11])[N:6]([H:14])[H:15])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-3(2)4(5)6/h3H,1-2H3,(H2,5,6)","InChI=1S/C4H9NO/c1-3-2-4(3,5)6/h3,6H,2,5H2,1H3/t3-,4+/m0/s1",78.12629,35.878,
7734,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4](=[O:5])[N:6]([H:14])[H:15])[H:10])([H:7])([H:8])[H:9],[C:1]([C:4]([C@@:2]([C:3]([H:11])([H:12])[H:13])([N:6]([H:14])[H:15])[H:10])=[O:5])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-3(2)4(5)6/h3H,1-2H3,(H2,5,6)","InChI=1S/C4H9NO/c1-3(5)4(2)6/h3H,5H2,1-2H3/t3-/m1/s1",91.00604,18.77581,
7735,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4](=[O:5])[N:6]([H:14])[H:15])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[C@@:4]([N:6]([H:14])[H:15])([H:10])[O:5]1)([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-3(2)4(5)6/h3H,1-2H3,(H2,5,6)","InChI=1S/C4H9NO/c1-4(2)3(5)6-4/h3H,5H2,1-2H3/t3-/m1/s1",84.38077,36.287420000000004,
7736,[C:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[O:5]1)([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([C:2]([C@@:3]([C:4][H:12])([O:5][H:13])[H:11])([H:9])[H:10])([H:6])([H:7])[H:8],"InChI=1S/C4H8O/c1-2-4-3-5-4/h4H,2-3H2,1H3/t4-/m0/s1","InChI=1S/C4H8O/c1-3-4(2)5/h2,4-5H,3H2,1H3/t4-/m1/s1",68.34781,66.8784,
7737,[C:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[O:5]1)([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([C:2]([C:3]([O+:5]=[C-:4][H:12])([H:11])[H:13])([H:9])[H:10])([H:6])([H:7])[H:8],"InChI=1S/C4H8O/c1-2-4-3-5-4/h4H,2-3H2,1H3/t4-/m0/s1","InChI=1S/C4H8O/c1-3-4-5-2/h2H,3-4H2,1H3",75.06208000000001,46.92622,
7738,[C:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[O:5]1)([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([C:2]([O:5][C:4]([C:3][H:11])([H:12])[H:13])([H:9])[H:10])([H:6])([H:7])[H:8],"InChI=1S/C4H8O/c1-2-4-3-5-4/h4H,2-3H2,1H3/t4-/m0/s1","InChI=1S/C4H8O/c1-3-5-4-2/h1H,3-4H2,2H3",101.33828000000001,80.04156,
7739,[C:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[O:5]1)([H:9])[H:10])([H:6])([H:7])[H:8],[C-:3]1=[O+:5][C:4]1([H:12])[H:13].[C:1]([C:2]([H:9])([H:10])[H:11])([H:6])([H:7])[H:8],"InChI=1S/C4H8O/c1-2-4-3-5-4/h4H,2-3H2,1H3/t4-/m0/s1",InChI=1S/C2H2O.C2H6/c1-2-3-1;1-2/h1H2;1-2H3,77.66774000000001,57.5982,
7740,[C:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[O:5]1)([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([C:3](=[C:2]([H:9])[H:10])[H:11])([H:6])([H:7])[H:8].[C:4](=[O:5])([H:12])[H:13],"InChI=1S/C4H8O/c1-2-4-3-5-4/h4H,2-3H2,1H3/t4-/m0/s1","InChI=1S/C3H6.CH2O/c1-3-2;1-2/h3H,1H2,2H3;1H2",77.00075,5.639069999999999,
7741,[C:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[O:5]1)([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([C:2]([C-:3]=[O+:5][C:4]([H:11])([H:12])[H:13])([H:9])[H:10])([H:6])([H:7])[H:8],"InChI=1S/C4H8O/c1-2-4-3-5-4/h4H,2-3H2,1H3/t4-/m0/s1","InChI=1S/C4H8O/c1-3-4-5-2/h3H2,1-2H3",72.03275,45.3521,
7742,[C:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[O:5]1)([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([C:2]([C:3](=[O+:5][C-:4]([H:12])[H:13])[H:11])([H:9])[H:10])([H:6])([H:7])[H:8],"InChI=1S/C4H8O/c1-2-4-3-5-4/h4H,2-3H2,1H3/t4-/m0/s1","InChI=1S/C4H8O/c1-3-4-5-2/h4H,2-3H2,1H3",51.52543,42.302,
7743,[C:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[O:5]1)([H:9])[H:10])([H:6])([H:7])[H:8],[C:1](=[C:2]([H:9])[H:10])([H:6])[H:8].[C:3]([C:4]([H:7])([H:12])[H:13])(=[O:5])[H:11],"InChI=1S/C4H8O/c1-2-4-3-5-4/h4H,2-3H2,1H3/t4-/m0/s1","InChI=1S/C2H4O.C2H4/c1-2-3;1-2/h2H,1H3;1-2H2",59.99621,0.04695,
7744,[C:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[O:5]1)([H:9])[H:10])([H:6])([H:7])[H:8],[C:1](=[C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[O:5]1)[H:10])([H:6])[H:7].[H:8][H:9],"InChI=1S/C4H8O/c1-2-4-3-5-4/h4H,2-3H2,1H3/t4-/m0/s1","InChI=1S/C4H6O.H2/c1-2-4-3-5-4;/h2,4H,1,3H2;1H/t4-;/m0./s1",110.56348,30.23756,
7745,[C:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[O:5]1)([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([C:2]([C@@:3]1([H:11])[C-:4]=[O+:5]1)([H:9])[H:10])([H:6])([H:7])[H:8].[H:12][H:13],"InChI=1S/C4H8O/c1-2-4-3-5-4/h4H,2-3H2,1H3/t4-/m0/s1","InChI=1S/C4H6O.H2/c1-2-4-3-5-4;/h4H,2H2,1H3;1H/t4-;/m0./s1",80.97591,64.73531,
7746,[C:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[O:5]1)([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([C:2]([C:3][C:4]([O:5][H:11])([H:12])[H:13])([H:9])[H:10])([H:6])([H:7])[H:8],"InChI=1S/C4H8O/c1-2-4-3-5-4/h4H,2-3H2,1H3/t4-/m0/s1","InChI=1S/C4H8O/c1-2-3-4-5/h5H,2,4H2,1H3",66.95448,65.50589000000001,
7747,[N:1](=[C:2]1[O:3][C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[O:6]1)[H:7],[C:4]1([H:8])([H:9])[C:5]([H:10])([H:11])[O:6]1.[N:1](=[C:2]=[O:3])[H:7],"InChI=1S/C3H5NO2/c4-3-5-1-2-6-3/h4H,1-2H2",InChI=1S/C2H4O.CHNO/c1-2-3-1;2-1-3/h1-2H2;2H,63.60168,18.95187,
7748,[N:1](=[C:2]1[O:3][C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[O:6]1)[H:7],[C:4]([C:5](=[O:6])[H:11])([H:8])([H:9])[H:10].[N:1](=[C:2]=[O:3])[H:7],"InChI=1S/C3H5NO2/c4-3-5-1-2-6-3/h4H,1-2H2","InChI=1S/C2H4O.CHNO/c1-2-3;2-1-3/h2H,1H3;2H",55.710469999999994,-8.5903,
7749,[N:1](=[C:2]1[O:3][C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[O:6]1)[H:7],[H:8][H:9].[N:1](=[C:2]1/[O+:3]=[C-:4][C:5]([H:10])([H:11])[O:6]1)\[H:7],"InChI=1S/C3H5NO2/c4-3-5-1-2-6-3/h4H,1-2H2","InChI=1S/C3H3NO2.H2/c4-3-5-1-2-6-3;/h4H,1H2;1H/b4-3+;",78.2329,69.49087,
7750,[N:1](=[C:2]1[O:3][C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[O:6]1)[H:7],[N:1]([C:2]1=[O+:3][C-:4]([H:8])[C:5]([H:10])([H:11])[O:6]1)([H:7])[H:9],"InChI=1S/C3H5NO2/c4-3-5-1-2-6-3/h4H,1-2H2","InChI=1S/C3H5NO2/c4-3-5-1-2-6-3/h1H,2,4H2",89.36218000000001,56.60094,
7751,[N:1](=[C:2]1[O:3][C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[O:6]1)[H:7],[N:1](=[C:2]=[O+:6][C-:5]([H:10])[H:11])[H:7].[O:3]=[C:4]([H:8])[H:9],"InChI=1S/C3H5NO2/c4-3-5-1-2-6-3/h4H,1-2H2","InChI=1S/C2H3NO.CH2O/c1-4-2-3;1-2/h3H,1H2;1H2",92.87505999999999,54.45496,
7752,[N:1](=[C:2]1[O:3][C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[O:6]1)[H:7],[N:1](=[C:2]1/[C:5]([H:10])([H:11])[O:6]1)\[H:7].[O:3]=[C:4]([H:8])[H:9],"InChI=1S/C3H5NO2/c4-3-5-1-2-6-3/h4H,1-2H2","InChI=1S/C2H3NO.CH2O/c3-2-1-4-2;1-2/h3H,1H2;1H2/b3-2-;",109.63785,47.12373,
7753,[N:1](=[C:2]1[O:3][C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[O:6]1)[H:7],[C:4](=[C:5]([O:6][H:10])[H:11])([H:8])[H:9].[N:1](=[C:2]=[O:3])[H:7],"InChI=1S/C3H5NO2/c4-3-5-1-2-6-3/h4H,1-2H2","InChI=1S/C2H4O.CHNO/c1-2-3;2-1-3/h2-3H,1H2;2H",89.14511999999999,-1.7819200000000002,
7754,[N:1](=[C:2]1[O:3][C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[O:6]1)[H:7],[N:1](=[C:2](/[O+:3]=[C-:4][H:8])[O:6][C:5]([H:9])([H:10])[H:11])\[H:7],"InChI=1S/C3H5NO2/c4-3-5-1-2-6-3/h4H,1-2H2","InChI=1S/C3H5NO2/c1-5-3(4)6-2/h1,4H,2H3/b4-3-",83.32659,75.39206,
7755,[N:1](=[C:2]1[O:3][C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[O:6]1)[H:7],[N:1]#[C:2][O:3][C:4]([C:5]([O:6][H:7])([H:10])[H:11])([H:8])[H:9],"InChI=1S/C3H5NO2/c4-3-5-1-2-6-3/h4H,1-2H2","InChI=1S/C3H5NO2/c4-3-6-2-1-5/h5H,1-2H2",66.08241,17.6407,
7756,[N:1](=[C:2]1[O:3][C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[O:6]1)[H:7],[C:5](=[O:6])([H:10])[H:11].[N:1](=[C:2])[H:7].[O:3]=[C:4]([H:8])[H:9],"InChI=1S/C3H5NO2/c4-3-5-1-2-6-3/h4H,1-2H2",InChI=1S/CHN.2CH2O/c3*1-2/h2H;2*1H2,85.92763000000001,65.34193,
7757,[N:1](=[C:2]1[O:3][C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[O:6]1)[H:7],[C:4](=[C:5]([H:10])[H:11])([H:8])[H:9].[N:1]1([H:7])[C:2](=[O:6])[O:3]1,"InChI=1S/C3H5NO2/c4-3-5-1-2-6-3/h4H,1-2H2","InChI=1S/C2H4.CHNO2/c1-2;3-1-2-4-1/h1-2H2;(H,2,3)",70.84076,64.42913,
7758,[N:1](=[C:2]1[O:3][C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[O:6]1)[H:7],[N:1]([C:2]([O:3][C:4](=[C:5]([H:10])[H:11])[H:9])=[O:6])([H:7])[H:8],"InChI=1S/C3H5NO2/c4-3-5-1-2-6-3/h4H,1-2H2","InChI=1S/C3H5NO2/c1-2-6-3(4)5/h2H,1H2,(H2,4,5)",68.89761,-12.25499,
7759,[O:1]=[C:2]1[C:3]([H:7])([H:8])[O:4][C:5]([H:9])([H:10])[O:6]1,[H:7][H:8].[O-:1][C:2]1=[C:3]=[O+:4][C:5]([H:9])([H:10])[O:6]1,InChI=1S/C3H4O3/c4-3-1-5-2-6-3/h1-2H2,InChI=1S/C3H2O3.H2/c4-3-1-5-2-6-3;/h2H2;1H,75.31694,67.07175,
7760,[O:1]=[C:2]1[C:3]([H:7])([H:8])[O:4][C:5]([H:9])([H:10])[O:6]1,[C:5](=[O:6])([H:9])[H:10].[O:1]=[C:2]([C:3](=[O:4])[H:7])[H:8],InChI=1S/C3H4O3/c4-3-1-5-2-6-3/h1-2H2,InChI=1S/C2H2O2.CH2O/c3-1-2-4;1-2/h1-2H;1H2,61.7305,35.75251,
7761,[O:1]=[C:2]1[C:3]([H:7])([H:8])[O:4][C:5]([H:9])([H:10])[O:6]1,[O:1]([C:2]1=[C:3]([H:8])[O:4][C:5]([H:9])([H:10])[O:6]1)[H:7],InChI=1S/C3H4O3/c4-3-1-5-2-6-3/h1-2H2,"InChI=1S/C3H4O3/c4-3-1-5-2-6-3/h1,4H,2H2",77.98796,28.87074,ketoenol
7762,[O:1]=[C:2]1[C:3]([H:7])([H:8])[O:4][C:5]([H:9])([H:10])[O:6]1,[O:1]1[C:2]2([C:3]1([H:7])[H:8])[O:4][C:5]([H:9])([H:10])[O:6]2,InChI=1S/C3H4O3/c4-3-1-5-2-6-3/h1-2H2,InChI=1S/C3H4O3/c1-3(4-1)5-2-6-3/h1-2H2,82.99665,48.02803,
7763,[O:1]=[C:2]1[C:3]([H:7])([H:8])[O:4][C:5]([H:9])([H:10])[O:6]1,[O:1]=[C:2]([C:3]([O+:4]=[C-:5][H:9])([H:7])[H:8])[O:6][H:10],InChI=1S/C3H4O3/c4-3-1-5-2-6-3/h1-2H2,"InChI=1S/C3H4O3/c1-6-2-3(4)5/h1H,2H2,(H,4,5)",74.60885999999999,60.42374,
7764,[O:1]=[C:2]1[C:3]([H:7])([H:8])[O:4][C:5]([H:9])([H:10])[O:6]1,[O:1]1[C:2](=[O:6])[C:3]1([H:7])[H:8].[O:4]=[C:5]([H:9])[H:10],InChI=1S/C3H4O3/c4-3-1-5-2-6-3/h1-2H2,InChI=1S/C2H2O2.CH2O/c3-2-1-4-2;1-2/h1H2;1H2,44.35001,41.793279999999996,
7765,[O:1]=[C:2]1[C:3]([H:7])([H:8])[O:4][C:5]([H:9])([H:10])[O:6]1,[O:1]=[C:2]([C:3]([O:4][H:10])([H:7])[H:8])[O+:6]=[C-:5][H:9],InChI=1S/C3H4O3/c4-3-1-5-2-6-3/h1-2H2,"InChI=1S/C3H4O3/c1-6-3(5)2-4/h1,4H,2H2",67.61479,65.39105,
7766,[O:1]=[C:2]1[C:3]([H:7])([H:8])[O:4][C:5]([H:9])([H:10])[O:6]1,[O:1]=[C:2]([C:3]([O:4][C:5](=[O:6])[H:10])([H:7])[H:8])[H:9],InChI=1S/C3H4O3/c4-3-1-5-2-6-3/h1-2H2,"InChI=1S/C3H4O3/c4-1-2-6-3-5/h1,3H,2H2",60.467819999999996,2.83845,
7767,[O:1]([C:2]([C:3]#[C:4][C:5]([O:6][H:12])([H:10])[H:11])([H:8])[H:9])[H:7],[O:1]([C:4](=[C:3]=[C:2]([H:8])[H:9])[C:5]([O:6][H:12])([H:10])[H:11])[H:7],"InChI=1S/C4H6O2/c5-3-1-2-4-6/h5-6H,3-4H2","InChI=1S/C4H6O2/c1-2-4(6)3-5/h5-6H,1,3H2",57.577690000000004,-10.90691,
7768,[O:1]([C:2]([C:3]#[C:4][C:5]([O:6][H:12])([H:10])[H:11])([H:8])[H:9])[H:7],[O:1]([C:2]([C@@:3]1([H:12])[C:4][C:5]([H:10])([H:11])[O:6]1)([H:8])[H:9])[H:7],"InChI=1S/C4H6O2/c5-3-1-2-4-6/h5-6H,3-4H2","InChI=1S/C4H6O2/c5-3-4-1-2-6-4/h4-5H,2-3H2/t4-/m1/s1",85.56336,68.85045,
7769,[O:1]([C:2]([C:3]#[C:4][C:5]([O:6][H:12])([H:10])[H:11])([H:8])[H:9])[H:7],[O:1]([C:2]([C:3](=[C:4]=[C:5]([O:6][H:12])[H:10])[H:11])([H:8])[H:9])[H:7],"InChI=1S/C4H6O2/c5-3-1-2-4-6/h5-6H,3-4H2","InChI=1S/C4H6O2/c5-3-1-2-4-6/h1,4-6H,3H2",70.41315999999999,-6.966939999999999,
7770,[O:1]([C:2]([C:3]#[C:4][C:5]([O:6][H:12])([H:10])[H:11])([H:8])[H:9])[H:7],[O:1]([C:2]([C:3](=[C:4])[C:5]([O:6][H:12])([H:10])[H:11])([H:8])[H:9])[H:7],"InChI=1S/C4H6O2/c5-3-1-2-4-6/h5-6H,3-4H2","InChI=1S/C4H6O2/c1-4(2-5)3-6/h5-6H,2-3H2",49.45288,45.85494,
7771,[O:1]([C:2]([C:3]#[C:4][C:5]([O:6][H:12])([H:10])[H:11])([H:8])[H:9])[H:7],[C+:2](=[C:3]=[C-:4][C:5]([O:6][H:12])([H:10])[H:11])[H:9].[O:1]([H:7])[H:8],"InChI=1S/C4H6O2/c5-3-1-2-4-6/h5-6H,3-4H2","InChI=1S/C4H4O.H2O/c1-2-3-4-5;/h1,5H,4H2;1H2",60.529230000000005,66.88868000000001,
7772,[O:1]([C:2]([C:3]#[C:4][C:5]([O:6][H:12])([H:10])[H:11])([H:8])[H:9])[H:7],[O:1]1[C:2]([H:8])([H:9])[C:3]1=[C:4]=[C:5]([H:10])[H:11].[O:6]([H:7])[H:12],"InChI=1S/C4H6O2/c5-3-1-2-4-6/h5-6H,3-4H2","InChI=1S/C4H4O.H2O/c1-2-4-3-5-4;/h1,3H2;1H2",47.61668,24.637620000000002,
7773,[O:1]([C:2]([C:3]#[C:4][C:5]([O:6][H:12])([H:10])[H:11])([H:8])[H:9])[H:7],[C:2](=[C:3]=[C:4]=[C:5]([O:6][H:12])[H:10])([H:8])[H:9].[O:1]([H:7])[H:11],"InChI=1S/C4H6O2/c5-3-1-2-4-6/h5-6H,3-4H2","InChI=1S/C4H4O.H2O/c1-2-3-4-5;/h4-5H,1H2;1H2",59.673190000000005,5.3358099999999995,
7774,[C:1]([N:2]([C:3](=[O:4])[H:10])[C:5](=[O:6])[H:11])([H:7])([H:8])[H:9],[C:1](/[N:2]=[C:5](/[O:6][C:3](=[O:4])[H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C3H5NO2/c1-4(2-5)3-6/h2-3H,1H3","InChI=1S/C3H5NO2/c1-4-2-6-3-5/h2-3H,1H3/b4-2+",38.34969,18.691779999999998,ketoenol
7775,[C:1]([N:2]([C:3](=[O:4])[H:10])[C:5](=[O:6])[H:11])([H:7])([H:8])[H:9],[C:1]([O:4]/[C:3](=[N:2]/[C:5](=[O:6])[H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C3H5NO2/c1-4(2-5)3-6/h2-3H,1H3","InChI=1S/C3H5NO2/c1-6-3-4-2-5/h2-3H,1H3/b4-3+",63.17527,19.969920000000002,ketoenol
7776,[C:1]([N:2]([C:3](=[O:4])[H:10])[C:5](=[O:6])[H:11])([H:7])([H:8])[H:9],[C-:5]#[O+:6].[C:1](=[N:2][C:3](=[O:4])[H:10])([H:8])[H:9].[H:7][H:11],"InChI=1S/C3H5NO2/c1-4(2-5)3-6/h2-3H,1H3","InChI=1S/C2H3NO.CO.H2/c1-3-2-4;1-2;/h2H,1H2;;1H",74.90306,47.57447,
7777,[C:1]([N:2]([C:3](=[O:4])[H:10])[C:5](=[O:6])[H:11])([H:7])([H:8])[H:9],[C:1]([N:2]=[C:5]=[O:6])([H:7])([H:8])[H:9].[C:3](=[O:4])([H:10])[H:11],"InChI=1S/C3H5NO2/c1-4(2-5)3-6/h2-3H,1H3",InChI=1S/C2H3NO.CH2O/c1-3-2-4;1-2/h1H3;1H2,60.43804,25.3917,
7778,[C:1]([N:2]([C:3](=[O:4])[H:10])[C:5](=[O:6])[H:11])([H:7])([H:8])[H:9],[C-:5]#[O+:6].[C:1](/[N:2]=[C:3](/[O:4][H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C3H5NO2/c1-4(2-5)3-6/h2-3H,1H3","InChI=1S/C2H5NO.CO/c1-3-2-4;1-2/h2H,1H3,(H,3,4);",41.63341,17.7367,
7779,[C:1]([N:2]([C:3](=[O:4])[H:10])[C:5](=[O:6])[H:11])([H:7])([H:8])[H:9],[C:1]([N+:2](=[C:3]([C:5](=[O:6])[H:11])[H:10])[O-:4])([H:7])([H:8])[H:9],"InChI=1S/C3H5NO2/c1-4(2-5)3-6/h2-3H,1H3","InChI=1S/C3H5NO2/c1-4(6)2-3-5/h2-3H,1H3",108.38813,58.04764,
7780,[C:1]([N:2]([C:3](=[O:4])[H:10])[C:5](=[O:6])[H:11])([H:7])([H:8])[H:9],[C-:3]#[O+:4].[C:1]([N:2]([C:5](=[O:6])[H:11])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C3H5NO2/c1-4(2-5)3-6/h2-3H,1H3","InChI=1S/C2H5NO.CO/c1-3-2-4;1-2/h2H,1H3,(H,3,4);",70.91797,8.794360000000001,"1,2_Insertion_CO"
7781,[N:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[O:4][C:5]1=[O:6])([H:7])[H:8],[C:3](=[O:4])([H:10])[H:11].[N:1]([C:2](=[C:5]=[O:6])[H:9])([H:7])[H:8],"InChI=1S/C3H5NO2/c4-2-1-6-3(2)5/h2H,1,4H2/t2-/m0/s1","InChI=1S/C2H3NO.CH2O/c3-1-2-4;1-2/h1H,3H2;1H2",39.51056,35.02709,2+2_cycloaddition
7782,[N:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[O:4][C:5]1=[O:6])([H:7])[H:8],[N:1]([C:2]([C:5]([O+:4]=[C-:3][H:11])=[O:6])([H:9])[H:10])([H:7])[H:8],"InChI=1S/C3H5NO2/c4-2-1-6-3(2)5/h2H,1,4H2/t2-/m0/s1","InChI=1S/C3H5NO2/c1-6-3(5)2-4/h1H,2,4H2",75.29812,64.6695,
7783,[N:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[O:4][C:5]1=[O:6])([H:7])[H:8],[N:1]([C+:2]=[C:5]([O:4][C:3]([H:9])([H:10])[H:11])[O-:6])([H:7])[H:8],"InChI=1S/C3H5NO2/c4-2-1-6-3(2)5/h2H,1,4H2/t2-/m0/s1","InChI=1S/C3H5NO2/c1-6-3(5)2-4/h4H2,1H3",45.32338,33.01917,
7784,[N:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[O:4][C:5]1=[O:6])([H:7])[H:8],[N:1]([O:4][C:3]([C:2](=[C:5]=[O:6])[H:9])([H:10])[H:11])([H:7])[H:8],"InChI=1S/C3H5NO2/c4-2-1-6-3(2)5/h2H,1,4H2/t2-/m0/s1","InChI=1S/C3H5NO2/c4-6-3-1-2-5/h1H,3-4H2",99.76266,49.622840000000004,
7785,[N:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[O:4][C:5]1=[O:6])([H:7])[H:8],[N:1]([O:6][C:5]1=[C:2]([H:9])[C:3]([H:10])([H:11])[O:4]1)([H:7])[H:8],"InChI=1S/C3H5NO2/c4-2-1-6-3(2)5/h2H,1,4H2/t2-/m0/s1","InChI=1S/C3H5NO2/c4-6-3-1-2-5-3/h1H,2,4H2",98.27351,71.70205,ketoenol
7786,[N:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[O:4][C:5]1=[O:6])([H:7])[H:8],[N:1]([C@@:2]1([H:9])[C-:3]([H:10])[O+:4]=[C:5]1[O:6][H:11])([H:7])[H:8],"InChI=1S/C3H5NO2/c4-2-1-6-3(2)5/h2H,1,4H2/t2-/m0/s1","InChI=1S/C3H5NO2/c4-2-1-6-3(2)5/h1-2,5H,4H2/t2-/m0/s1",102.51987,75.84337,
7787,[N:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[O:4][C:5]1=[O:6])([H:7])[H:8],[N+:1]([C:2]1=[C:5]([O-:6])[O:4][C:3]1([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C3H5NO2/c4-2-1-6-3(2)5/h2H,1,4H2/t2-/m0/s1","InChI=1S/C3H5NO2/c4-2-1-6-3(2)5/h5H,1,4H2",71.33466999999999,45.170590000000004,
7788,[N:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[O:4][C:5]1=[O:6])([H:7])[H:8],[N:1]([C:2](=[C:3]([H:10])[H:11])[H:9])([H:7])[H:8].[O:4]=[C:5]=[O:6],"InChI=1S/C3H5NO2/c4-2-1-6-3(2)5/h2H,1,4H2/t2-/m0/s1","InChI=1S/C2H5N.CO2/c1-2-3;2-1-3/h2H,1,3H2;",31.46012,-21.8364,2+2_cycloaddition
7789,[N:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[O:4][C:5]1=[O:6])([H:7])[H:8],[N:1]([C@@:2]1([H:9])[C@@:5]2([C:3]([H:10])([H:11])[O:4]2)[O:6]1)([H:7])[H:8],"InChI=1S/C3H5NO2/c4-2-1-6-3(2)5/h2H,1,4H2/t2-/m0/s1","InChI=1S/C3H5NO2/c4-2-3(6-2)1-5-3/h2H,1,4H2/t2-,3-/m1/s1",56.94157,43.47679,
7790,[N:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[O:4][C:5]1=[O:6])([H:7])[H:8],[C-:5]#[O+:6].[N:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[O:4]1)([H:7])[H:8],"InChI=1S/C3H5NO2/c4-2-1-6-3(2)5/h2H,1,4H2/t2-/m0/s1","InChI=1S/C2H5NO.CO/c3-2-1-4-2;1-2/h2H,1,3H2;/t2-;/m1./s1",49.82758,22.78824,
7791,[N:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[O:4][C:5]1=[O:6])([H:7])[H:8],[N:1]1([H:8])[C@:2]([C:3]([O:4][H:7])([H:10])[H:11])([H:9])[C:5]1=[O:6],"InChI=1S/C3H5NO2/c4-2-1-6-3(2)5/h2H,1,4H2/t2-/m0/s1","InChI=1S/C3H5NO2/c5-1-2-3(6)4-2/h2,5H,1H2,(H,4,6)/t2-/m0/s1",61.518159999999995,22.01641,
7792,[N:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[O:4][C:5]1=[O:6])([H:7])[H:8],[H:8][H:9].[N:1](=[C:2]1/[C:3]([H:10])([H:11])[O:4][C:5]1=[O:6])\[H:7],"InChI=1S/C3H5NO2/c4-2-1-6-3(2)5/h2H,1,4H2/t2-/m0/s1","InChI=1S/C3H3NO2.H2/c4-2-1-6-3(2)5;/h4H,1H2;1H/b4-2-;",99.62505999999999,23.28515,
7793,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4]([C:5]#[C:6][H:16])([H:14])[H:15])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:6](=[C:5]=[C:4]([H:14])[H:15])[H:16])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-4-5-6(2)3/h1,6H,5H2,2-3H3","InChI=1S/C6H10/c1-4-5-6(2)3/h5-6H,1H2,2-3H3",96.11538,-5.47579,
7794,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4]([C:5]#[C:6][H:16])([H:14])[H:15])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]([H:11])[H:13])[H:10])([H:7])([H:8])[H:9].[C:4](=[C:5]=[C:6]([H:12])[H:16])([H:14])[H:15],"InChI=1S/C6H10/c1-4-5-6(2)3/h1,6H,5H2,2-3H3","InChI=1S/C3H6.C3H4/c2*1-3-2/h3H,1H2,2H3;1-2H2",42.93076,16.868129999999997,Retroene
7795,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4]([C:5]#[C:6][H:16])([H:14])[H:15])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4]([C:6](=[C:5])[H:16])([H:14])[H:15])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-4-5-6(2)3/h1,6H,5H2,2-3H3","InChI=1S/C6H10/c1-4-5-6(2)3/h4,6H,5H2,2-3H3",58.451519999999995,52.180170000000004,Singlet_Carbene_Intra_Disproportionation
7796,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4]([C:5]#[C:6][H:16])([H:14])[H:15])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([H:7])[H:10])([C:6](=[C:5]=[C:4]([H:14])[H:15])[H:16])([H:8])[H:9],"InChI=1S/C6H10/c1-4-5-6(2)3/h1,6H,5H2,2-3H3","InChI=1S/C6H10/c1-3-5-6-4-2/h5H,1,4,6H2,2H3",84.01309,-4.10688,
7797,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4]([C:5]#[C:6][H:16])([H:14])[H:15])[H:10])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])(/[C:4](=[C:5](\[C:6][H:16])[H:14])[H:15])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C6H10/c1-4-5-6(2)3/h1,6H,5H2,2-3H3","InChI=1S/C6H10/c1-4-5-6(2)3/h1,4-6H,2-3H3/b5-4-",66.14079,62.215230000000005,
7798,[N:1]([C:2]([C@@:3]([O:4][H:12])([C:5]#[N:6])[H:11])([H:9])[H:10])([H:7])[H:8],[C:3]([O:4][H:12])(=[C:5]=[N:6][H:7])[H:11].[N:1](=[C:2]([H:9])[H:10])[H:8],"InChI=1S/C3H6N2O/c4-1-3(6)2-5/h3,6H,1,4H2/t3-/m1/s1","InChI=1S/C2H3NO.CH3N/c3-1-2-4;1-2/h2-4H;2H,1H2",41.39322,44.1356,Retroene
7799,[N:1]([C:2]([C@@:3]([O:4][H:12])([C:5]#[N:6])[H:11])([H:9])[H:10])([H:7])[H:8],[N:1]1([H:7])[C:2]([H:9])([H:10])[C@:3]([O:4][H:12])([H:11])[C:5][N:6]1[H:8],"InChI=1S/C3H6N2O/c4-1-3(6)2-5/h3,6H,1,4H2/t3-/m1/s1","InChI=1S/C3H6N2O/c6-3-1-4-5-2-3/h3-6H,1H2/t3-/m1/s1",72.57883000000001,64.90918,
7800,[N:1]([C:2]([C@@:3]([O:4][H:12])([C:5]#[N:6])[H:11])([H:9])[H:10])([H:7])[H:8],[C:3](=[O:4])([C:5]#[N:6])[H:11].[N:1]([C:2]([H:8])([H:9])[H:10])([H:7])[H:12],"InChI=1S/C3H6N2O/c4-1-3(6)2-5/h3,6H,1,4H2/t3-/m1/s1","InChI=1S/C2HNO.CH5N/c3-1-2-4;1-2/h2H;2H2,1H3",75.69013000000001,22.03539,
7801,[N:1]([C:2]([C@@:3]([O:4][H:12])([C:5]#[N:6])[H:11])([H:9])[H:10])([H:7])[H:8],[H:10][H:11].[N:1](/[C:2](=[C:3](\[O:4][H:12])[C:5]#[N:6])[H:9])([H:7])[H:8],"InChI=1S/C3H6N2O/c4-1-3(6)2-5/h3,6H,1,4H2/t3-/m1/s1","InChI=1S/C3H4N2O.H2/c4-1-3(6)2-5;/h1,6H,4H2;1H/b3-1-;",92.34825,14.953610000000001,
7802,[N:1]([C:2]([C@@:3]([O:4][H:12])([C:5]#[N:6])[H:11])([H:9])[H:10])([H:7])[H:8],[C:3](=[O:4])([C:5]#[N:6])[H:11].[H:7][H:12].[N:1](=[C:2]([H:9])[H:10])[H:8],"InChI=1S/C3H6N2O/c4-1-3(6)2-5/h3,6H,1,4H2/t3-/m1/s1","InChI=1S/C2HNO.CH3N.H2/c3-1-2-4;1-2;/h2H;2H,1H2;1H",62.45932,47.39434,
7803,[N:1]([C:2]([C@@:3]([O:4][H:12])([C:5]#[N:6])[H:11])([H:9])[H:10])([H:7])[H:8],[C:5]=[N:6][H:8].[N:1]([C:2]([C:3](=[O:4])[H:11])([H:9])[H:10])([H:7])[H:12],"InChI=1S/C3H6N2O/c4-1-3(6)2-5/h3,6H,1,4H2/t3-/m1/s1","InChI=1S/C2H5NO.CHN/c3-1-2-4;1-2/h2H,1,3H2;2H",29.033659999999998,36.46318,
7804,[N:1]([C:2]([C@@:3]([O:4][H:12])([C:5]#[N:6])[H:11])([H:9])[H:10])([H:7])[H:8],[N:1]([C:2]([C:3]([O:4][H:12])=[C:5]=[N:6][H:11])([H:9])[H:10])([H:7])[H:8],"InChI=1S/C3H6N2O/c4-1-3(6)2-5/h3,6H,1,4H2/t3-/m1/s1","InChI=1S/C3H6N2O/c4-1-3(6)2-5/h5-6H,1,4H2",83.61718,19.12436,
7805,[N:1]([C:2]([C@@:3]([O:4][H:12])([C:5]#[N:6])[H:11])([H:9])[H:10])([H:7])[H:8],[N:1]1([H:8])[C:2]([H:9])([H:10])[C@@:3]1([C:5]#[N:6])[H:11].[O:4]([H:7])[H:12],"InChI=1S/C3H6N2O/c4-1-3(6)2-5/h3,6H,1,4H2/t3-/m1/s1","InChI=1S/C3H4N2.H2O/c4-1-3-2-5-3;/h3,5H,2H2;1H2/t3-;/m0./s1",64.13365,25.21464,
7806,[N:1]([C:2]([C@@:3]([O:4][H:12])([C:5]#[N:6])[H:11])([H:9])[H:10])([H:7])[H:8],[N:1]([C:2]([C@@:3]1([H:11])[C:5]([O:4][H:12])=[N:6]1)([H:9])[H:10])([H:7])[H:8],"InChI=1S/C3H6N2O/c4-1-3(6)2-5/h3,6H,1,4H2/t3-/m1/s1","InChI=1S/C3H6N2O/c4-1-2-3(6)5-2/h2H,1,4H2,(H,5,6)/t2-/m0/s1",75.3902,30.3437,
7807,[N:1]([C:2]([C@@:3]([O:4][H:12])([C:5]#[N:6])[H:11])([H:9])[H:10])([H:7])[H:8],[H:11][H:12].[N:1]([C:2]([C:3](=[O:4])[C:5]#[N:6])([H:9])[H:10])([H:7])[H:8],"InChI=1S/C3H6N2O/c4-1-3(6)2-5/h3,6H,1,4H2/t3-/m1/s1","InChI=1S/C3H4N2O.H2/c4-1-3(6)2-5;/h1,4H2;1H",82.9003,21.67326,
7808,[N:1]([C:2]([C@@:3]([O:4][H:12])([C:5]#[N:6])[H:11])([H:9])[H:10])([H:7])[H:8],[C:2](=[C:3]([O:4][H:12])[C:5]#[N:6])([H:9])[H:10].[N:1]([H:7])([H:8])[H:11],"InChI=1S/C3H6N2O/c4-1-3(6)2-5/h3,6H,1,4H2/t3-/m1/s1","InChI=1S/C3H3NO.H3N/c1-3(5)2-4;/h5H,1H2;1H3",53.54473,8.6569,"1,3_NH3_elimination"
7809,[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([C:4]([H:13])([H:14])[H:15])[C:5]#[N:6])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([C:4]([H:13])([H:14])[H:15])[N+:6]#[C-:5])([H:7])([H:8])[H:9],"InChI=1S/C5H9N/c1-5(2,3)4-6/h1-3H3","InChI=1S/C5H9N/c1-5(2,3)6-4/h1-3H3",58.90282,23.56356,
7810,[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([C:4]([H:13])([H:14])[H:15])[C:5]#[N:6])([H:7])([H:8])[H:9],[C:1]([C:2]1([C:3]([H:10])([H:11])[H:12])[C:4]([H:14])([H:15])/[C:5]1=[N:6]\[H:13])([H:7])([H:8])[H:9],"InChI=1S/C5H9N/c1-5(2,3)4-6/h1-3H3","InChI=1S/C5H9N/c1-5(2)3-4(5)6/h6H,3H2,1-2H3/b6-4+",103.435,32.28482,
7811,[O:1]([C:2]([C:3]([O:4][H:11])([C:5]([O:6][H:14])([H:12])[H:13])[H:10])([H:8])[H:9])[H:7],[C:3](=[O:4])([C:5]([O:6][H:14])([H:12])[H:13])[H:10].[H:7][H:11].[O:1]=[C:2]([H:8])[H:9],"InChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2","InChI=1S/C2H4O2.CH2O.H2/c3-1-2-4;1-2;/h1,4H,2H2;1H2;1H",64.94443000000001,38.68938,
7812,[O:1]([C:2]([C:3]([O:4][H:11])([C:5]([O:6][H:14])([H:12])[H:13])[H:10])([H:8])[H:9])[H:7],[H:11][H:13].[O:1]([C:2]([C@:3]([O:4][H:14])([C:5](=[O:6])[H:12])[H:10])([H:8])[H:9])[H:7],"InChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2","InChI=1S/C3H6O3.H2/c4-1-3(6)2-5;/h1,3,5-6H,2H2;1H/t3-;/m1./s1",61.62495,18.697210000000002,
7813,[O:1]([C:2]([C:3]([O:4][H:11])([C:5]([O:6][H:14])([H:12])[H:13])[H:10])([H:8])[H:9])[H:7],[C:2]([C:3](=[O:4])[H:10])([C:5]([O:6][H:14])([H:12])[H:13])([H:8])[H:9].[O:1]([H:7])[H:11],"InChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2","InChI=1S/C3H6O2.H2O/c4-2-1-3-5;/h2,5H,1,3H2;1H2",52.49541,1.9697799999999999,
7814,[O:1]([C:2]([C:3]([O:4][H:11])([C:5]([O:6][H:14])([H:12])[H:13])[H:10])([H:8])[H:9])[H:7],[C:2]1([H:8])([H:9])[C@:3]([C:5]([O:6][H:14])([H:12])[H:13])([H:10])[O:4]1.[O:1]([H:7])[H:11],"InChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2","InChI=1S/C3H6O2.H2O/c4-1-3-2-5-3;/h3-4H,1-2H2;1H2/t3-;/m1./s1",55.4886,25.3461,
7815,[O:1]([C:2]([C:3]([O:4][H:11])([C:5]([O:6][H:14])([H:12])[H:13])[H:10])([H:8])[H:9])[H:7],[C:3]([O:4][H:11])([C:5]([O:6][H:14])([H:12])[H:13])([H:9])[H:10].[O:1]([C:2][H:8])[H:7],"InChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2","InChI=1S/C2H6O2.CH2O/c3-1-2-4;1-2/h3-4H,1-2H2;1-2H",69.07437,77.33901999999999,
7816,[O:1]([C:2]([C:3]([O:4][H:11])([C:5]([O:6][H:14])([H:12])[H:13])[H:10])([H:8])[H:9])[H:7],[C:2]1([H:8])([H:9])[C:3]([O:4][H:14])([H:10])[C:5]([H:12])([H:13])[O:6]1.[O:1]([H:7])[H:11],"InChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2","InChI=1S/C3H6O2.H2O/c4-3-1-5-2-3;/h3-4H,1-2H2;1H2",73.5022,26.63178,
7817,[O:1]([C:2]([C:3]([O:4][H:11])([C:5]([O:6][H:14])([H:12])[H:13])[H:10])([H:8])[H:9])[H:7],[C:2](=[C:3]([O:4][H:11])[C:5]([O:6][H:14])([H:12])[H:13])([H:8])[H:9].[O:1]([H:7])[H:10],"InChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2","InChI=1S/C3H6O2.H2O/c1-3(5)2-4;/h4-5H,1-2H2;1H2",65.93937,7.5736,"1,3_Insertion_ROR"
7818,[O:1]([C:2]([C:3]([O:4][H:11])([C:5]([O:6][H:14])([H:12])[H:13])[H:10])([H:8])[H:9])[H:7],[C:5](=[O:6])([H:12])[H:13].[H:9][H:14].[O:1](/[C:2](=[C:3](\[O:4][H:11])[H:10])[H:8])[H:7],"InChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2",InChI=1S/C2H4O2.CH2O.H2/c3-1-2-4;1-2;/h1-4H;1H2;1H/b2-1-;;,64.49667,43.63245,
7819,[O:1]([C:2]([C:3]([O:4][H:11])([C:5]([O:6][H:14])([H:12])[H:13])[H:10])([H:8])[H:9])[H:7],[H:7][H:10].[O:1]([C:2]([C:3](=[O:4])[C:5]([O:6][H:14])([H:12])[H:13])([H:8])[H:9])[H:11],"InChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2","InChI=1S/C3H6O3.H2/c4-1-3(6)2-5;/h4-5H,1-2H2;1H",56.038230000000006,14.92936,
7820,[O:1]([C:2]([C:3]([O:4][H:11])([C:5]([O:6][H:14])([H:12])[H:13])[H:10])([H:8])[H:9])[H:7],[C:2]([H:8])[H:9].[O:1]([C:3]([O:4][H:11])([C:5]([O:6][H:14])([H:12])[H:13])[H:10])[H:7],"InChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2","InChI=1S/C2H6O3.CH2/c3-1-2(4)5;/h2-5H,1H2;1H2",105.9244,108.72283,
7821,[O:1]([C:2]([C:3]([O:4][H:11])([C:5]([O:6][H:14])([H:12])[H:13])[H:10])([H:8])[H:9])[H:7],[C:2](=[C:3]([O:4][H:11])[H:10])([H:8])[H:9].[O:1]([C:5]([O:6][H:14])([H:12])[H:13])[H:7],"InChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2","InChI=1S/C2H4O.CH4O2/c1-2-3;2-1-3/h2*2-3H,1H2",76.48918,13.16115,"1,3_Insertion_ROR"
7822,[O:1]([C:2]([C:3]([O:4][H:11])([C:5]([O:6][H:14])([H:12])[H:13])[H:10])([H:8])[H:9])[H:7],[O:1]([C:2]([C:3]([O:4][H:11])([C:5]([H:10])([H:12])[H:13])[O:6][H:14])([H:8])[H:9])[H:7],"InChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2","InChI=1S/C3H8O3/c1-3(5,6)2-4/h4-6H,2H2,1H3",81.62423000000001,-14.2926,
7823,[C:1]([C:2]([C:3](=[O:4])[N:5]([C:6]([H:13])([H:14])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C-:3]#[O+:4].[C:1](=[C:2]([H:10])[H:11])([H:8])[H:9].[N:5]([C:6]([H:13])([H:14])[H:15])([H:7])[H:12],"InChI=1S/C4H9NO/c1-3-4(6)5-2/h3H2,1-2H3,(H,5,6)","InChI=1S/C2H4.CH5N.CO/c3*1-2/h1-2H2;2H2,1H3;",81.03487,43.90875,
7824,[C:1]([C:2]([C:3](=[O:4])[N:5]([C:6]([H:13])([H:14])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]=[O:4])([H:10])[H:11])([H:7])([H:8])[H:9].[N:5]([C:6]([H:13])[H:14])([H:12])[H:15],"InChI=1S/C4H9NO/c1-3-4(6)5-2/h3H2,1-2H3,(H,5,6)","InChI=1S/C3H5O.CH4N/c1-2-3-4;1-2/h2H2,1H3;1-2H2",92.64350999999999,91.89671,
7825,[C:1]([C:2]([C:3](=[O:4])[N:5]([C:6]([H:13])([H:14])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([O+:4]=[C-:3][N:5]([C:6]([H:13])([H:14])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-3-4(6)5-2/h3H2,1-2H3,(H,5,6)","InChI=1S/C4H9NO/c1-3-6-4-5-2/h5H,3H2,1-2H3",96.92909,54.36147,
7826,[C:1]([C:2]([C:3](=[O:4])[N:5]([C:6]([H:13])([H:14])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3](=[O:4])[H:15])([H:10])[H:11])([H:7])([H:8])[H:9].[N:5](=[C:6]([H:13])[H:14])[H:12],"InChI=1S/C4H9NO/c1-3-4(6)5-2/h3H2,1-2H3,(H,5,6)","InChI=1S/C3H6O.CH3N/c1-2-3-4;1-2/h3H,2H2,1H3;2H,1H2",81.69541,36.85691,
7827,[C:1]([C:2]([C:3](=[O:4])[N:5]([C:6]([H:13])([H:14])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]([H:10])[H:11])([H:8])[H:9].[C:3]([O:4][H:7])[N:5]([C:6]([H:13])([H:14])[H:15])[H:12],"InChI=1S/C4H9NO/c1-3-4(6)5-2/h3H2,1-2H3,(H,5,6)","InChI=1S/C2H5NO.C2H4/c1-3-2-4;1-2/h3-4H,1H3;1-2H2",70.13514,71.85239,
7828,[C:1]([C:2]([C:3](=[O:4])[N:5]([C:6]([H:13])([H:14])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:11])[C@:3]([N:5]([C:6]([H:13])([H:14])[H:15])[H:12])([H:10])[O:4]1)([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-3-4(6)5-2/h3H2,1-2H3,(H,5,6)","InChI=1S/C4H9NO/c1-3-4(5-2)6-3/h3-5H,1-2H3/t3-,4-/m0/s1",91.51258,43.49674,
7829,[C:1]([C:2]([C:3](=[O:4])[N:5]([C:6]([H:13])([H:14])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](/[C:3]([O:4][C:6]([H:13])([H:14])[H:15])=[N:5]\[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-3-4(6)5-2/h3H2,1-2H3,(H,5,6)","InChI=1S/C4H9NO/c1-3-4(5)6-2/h5H,3H2,1-2H3/b5-4+",63.8583,15.97681,ketoenol
7830,[C:1]([C:2]([C:3](=[O:4])[N:5]([C:6]([H:13])([H:14])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](/[C:3]([O:4][H:12])=[N:5]\[C:6]([H:13])([H:14])[H:15])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-3-4(6)5-2/h3H2,1-2H3,(H,5,6)","InChI=1S/C4H9NO/c1-3-4(6)5-2/h3H2,1-2H3,(H,5,6)",39.061370000000004,10.67202,ketoenol
7831,[C:1]([C:2]([C:3](=[O:4])[N:5]([C:6]([H:13])([H:14])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C@:2]1([H:11])/[C:3](=[N:5]/[C:6]([H:13])([H:14])[H:15])[O:4]1)([H:7])([H:8])[H:9].[H:10][H:12],"InChI=1S/C4H9NO/c1-3-4(6)5-2/h3H2,1-2H3,(H,5,6)","InChI=1S/C4H7NO.H2/c1-3-4(5-2)6-3;/h3H,1-2H3;1H/b5-4-;/t3-;/m1./s1",84.27322,62.9854,
7832,[C:1]([C:2]([C:3](=[O:4])[N:5]([C:6]([H:13])([H:14])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([H:10])([H:11])[H:12])([H:7])([H:8])[H:9].[C:3](=[O:4])=[N:5][C:6]([H:13])([H:14])[H:15],"InChI=1S/C4H9NO/c1-3-4(6)5-2/h3H2,1-2H3,(H,5,6)",InChI=1S/C2H3NO.C2H6/c1-3-2-4;1-2/h1H3;1-2H3,72.55764,11.04536,
7833,[C:1]([C:2]([C:3](=[O:4])[N:5]([C:6]([H:13])([H:14])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:4][C:3](=[C:2]([H:10])[H:11])[N:5]([C:6]([H:13])([H:14])[H:15])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-3-4(6)5-2/h3H2,1-2H3,(H,5,6)","InChI=1S/C4H9NO/c1-4(5-2)6-3/h5H,1H2,2-3H3",87.19358000000001,35.4306,ketoenol
7834,[C:1]([C:2]([C:3](=[O:4])[N:5]([C:6]([H:13])([H:14])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C@:3]1([N:5]([C:6]([H:13])([H:14])[H:15])[H:12])[C:2]([H:10])([H:11])[O:4]1)([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-3-4(6)5-2/h3H2,1-2H3,(H,5,6)","InChI=1S/C4H9NO/c1-4(5-2)3-6-4/h5H,3H2,1-2H3/t4-/m1/s1",102.96968000000001,44.174820000000004,
7835,[C:1]([C:2]([C:3](=[O:4])[N:5]([C:6]([H:13])([H:14])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](/[C:2](=[C:3](\[O:4][H:10])[N:5]([C:6]([H:13])([H:14])[H:15])[H:12])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-3-4(6)5-2/h3H2,1-2H3,(H,5,6)","InChI=1S/C4H9NO/c1-3-4(6)5-2/h3,5-6H,1-2H3/b4-3-",64.32125,23.49543,ketoenol
7836,[C:1]([C:2]([C:3](=[O:4])[N:5]([C:6]([H:13])([H:14])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]([O-:4])[N:5]([C+:6]([H:13])[H:14])[H:12])[H:11])([H:7])([H:8])[H:9].[H:10][H:15],"InChI=1S/C4H9NO/c1-3-4(6)5-2/h3H2,1-2H3,(H,5,6)","InChI=1S/C4H7NO.H2/c1-3-4(6)5-2;/h3,5H,2H2,1H3;1H",75.01442,62.294619999999995,
7837,[C:1]([C:2]([C:3](=[O:4])[N:5]([C:6]([H:13])([H:14])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([N:5]([C:6]([H:13])([H:14])[H:15])[H:12])([H:7])([H:8])[H:9].[C:2](=[C:3]=[O:4])([H:10])[H:11],"InChI=1S/C4H9NO/c1-3-4(6)5-2/h3H2,1-2H3,(H,5,6)","InChI=1S/C2H7N.C2H2O/c1-3-2;1-2-3/h3H,1-2H3;1H2",93.54259,43.6872,
7838,[C:1]([C:2]([C:3](=[O:4])[N:5]([C:6]([H:13])([H:14])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:3]([C:2]([N:5]([C:6]([H:13])([H:14])[H:15])[H:12])([H:10])[H:11])=[O:4])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-3-4(6)5-2/h3H2,1-2H3,(H,5,6)","InChI=1S/C4H9NO/c1-4(6)3-5-2/h5H,3H2,1-2H3",110.32495,22.13021,
7839,[C:1]([C:2]([C:3](=[O:4])[N:5]([C:6]([H:13])([H:14])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3](=[O:4])[N+:5]([C-:6]([H:13])[H:14])([H:12])[H:15])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-3-4(6)5-2/h3H2,1-2H3,(H,5,6)","InChI=1S/C4H9NO/c1-3-4(6)5-2/h2-3,5H2,1H3",91.51765,74.05298,
7840,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])=[C:6]1[H:14])[H:7],[C:2]1([H:8])=[C:6]([H:14])[C:5]([H:13])=[C:4]([H:11])[C:3]1([H:9])[H:10].[O:1]([H:7])[H:12],"InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1,3,5-6H,2,4H2/t5-/m1/s1","InChI=1S/C5H6.H2O/c1-2-4-5-3-1;/h1-4H,5H2;1H2",50.575340000000004,7.626189999999999,"1,3_Insertion_ROR"
7841,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])=[C:6]1[H:14])[H:7],[O:1](/[C:2](=[C:6](/[C:5]1([H:13])[C:3]([H:9])([H:10])[C:4]1([H:11])[H:12])[H:14])[H:8])[H:7],"InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1,3,5-6H,2,4H2/t5-/m1/s1","InChI=1S/C5H8O/c6-4-3-5-1-2-5/h3-6H,1-2H2/b4-3+",62.3327,17.02417,
7842,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])=[C:6]1[H:14])[H:7],[O:1]([C:2]([C:3]([C:4]([C:5](=[C:6])[H:13])([H:11])[H:12])([H:9])[H:10])([H:8])[H:14])[H:7],"InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1,3,5-6H,2,4H2/t5-/m1/s1","InChI=1S/C5H8O/c1-2-3-4-5-6/h2,6H,3-5H2",70.80906,77.24781999999999,
7843,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])=[C:6]1[H:14])[H:7],[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C@:6]1([C:5](=[C:4]([H:11])[H:12])[H:13])[H:14])[H:7],"InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1,3,5-6H,2,4H2/t5-/m1/s1","InChI=1S/C5H8O/c1-2-4-3-5(4)6/h2,4-6H,1,3H2/t4-,5+/m1/s1",66.41386,21.46213,
7844,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])=[C:6]1[H:14])[H:7],[O:1]([C:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])=[C:5]([H:13])[C:6]1([H:12])[H:14])[H:7],"InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1,3,5-6H,2,4H2/t5-/m1/s1","InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1-2,5-6H,3-4H2",73.1818,0.9919899999999999,
7845,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])=[C:6]1[H:14])[H:7],[O:1]([C:2]/[C:6](=[C:5](\[C:4]([C:3]([H:8])([H:9])[H:10])([H:11])[H:12])[H:13])[H:14])[H:7],"InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1,3,5-6H,2,4H2/t5-/m1/s1","InChI=1S/C5H8O/c1-2-3-4-5-6/h3-4,6H,2H2,1H3/b4-3-",64.81591,59.65438,
7846,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])=[C:6]1[H:14])[H:7],[O:1]([C@@:2]([C:3][H:10])(/[C:6](=[C:5](\[C:4]([H:9])([H:11])[H:12])[H:13])[H:14])[H:8])[H:7],"InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1,3,5-6H,2,4H2/t5-/m1/s1","InChI=1S/C5H8O/c1-3-4-5(2)6/h2-6H,1H3/b4-3-/t5-/m0/s1",98.06602,93.57225,
7847,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])=[C:6]1[H:14])[H:7],[H:7][H:9].[O:1]=[C:2]([C@:3]1([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])=[C:6]1[H:14])[H:8],"InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1,3,5-6H,2,4H2/t5-/m1/s1","InChI=1S/C5H6O.H2/c6-4-5-2-1-3-5;/h1-2,4-5H,3H2;1H/t5-;/m0./s1",94.01353,43.60369,
7848,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])=[C:6]1[H:14])[H:7],[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5][C:6]1([H:13])[H:14])[H:7],"InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1,3,5-6H,2,4H2/t5-/m1/s1","InChI=1S/C5H8O/c6-5-3-1-2-4-5/h5-6H,1,3-4H2/t5-/m0/s1",71.50091,73.02686,Singlet_Carbene_Intra_Disproportionation
7849,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])=[C:6]1[H:14])[H:7],[H:7][H:12].[O:1]1[C@@:2]2([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])=[C:5]([H:13])[C@@:6]12[H:14],"InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1,3,5-6H,2,4H2/t5-/m1/s1","InChI=1S/C5H6O.H2/c1-2-4-5(3-1)6-4;/h1-2,4-5H,3H2;1H/t4-,5+;/m1./s1",70.79354000000001,42.58575,
7850,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])=[C:6]1[H:14])[H:7],[H:7][H:8].[O:1]=[C:2]1[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])=[C:6]1[H:14],"InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1,3,5-6H,2,4H2/t5-/m1/s1","InChI=1S/C5H6O.H2/c6-5-3-1-2-4-5;/h1,3H,2,4H2;1H",73.94185999999999,7.857360000000001,
7851,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])=[C:6]1[H:14])[H:7],[H:9][H:13].[O:1]([C@@:2]1([H:8])[C+:3]([H:10])[C:4]([H:11])([H:12])[C-:5]=[C:6]1[H:14])[H:7],"InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1,3,5-6H,2,4H2/t5-/m1/s1","InChI=1S/C5H6O.H2/c6-5-3-1-2-4-5;/h3-6H,1H2;1H/t5-;/m0./s1",122.61458,108.97293,
7852,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])=[C:6]1[H:14])[H:7],[O:1]=[C:2]([C:6]1([H:14])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]1([H:7])[H:13])[H:8],"InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1,3,5-6H,2,4H2/t5-/m1/s1","InChI=1S/C5H8O/c6-4-5-2-1-3-5/h4-5H,1-3H2",83.92846,10.22906,
7853,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])=[C:6]1[H:14])[H:7],[O:1]([C@@:2]([C:3]([H:9])([H:10])[H:13])([C:6](=[C:5]=[C:4]([H:11])[H:12])[H:14])[H:8])[H:7],"InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1,3,5-6H,2,4H2/t5-/m1/s1","InChI=1S/C5H8O/c1-3-4-5(2)6/h4-6H,1H2,2H3/t5-/m0/s1",126.15968000000001,20.938760000000002,
7854,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])=[C:6]1[H:14])[H:7],[C:5](#[C:6][H:14])[H:13].[O:1]=[C:2]([C:3]([C:4]([H:7])([H:11])[H:12])([H:9])[H:10])[H:8],"InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1,3,5-6H,2,4H2/t5-/m1/s1","InChI=1S/C3H6O.C2H2/c1-2-3-4;1-2/h3H,2H2,1H3;1-2H",97.55429000000001,43.05922,
7855,[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])=[C:6]1[H:14])[H:7],[H:8][H:11].[O:1]([C:2]1=[C:6]([H:14])[C:5]([H:13])=[C:4]([H:12])[C:3]1([H:9])[H:10])[H:7],"InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1,3,5-6H,2,4H2/t5-/m1/s1","InChI=1S/C5H6O.H2/c6-5-3-1-2-4-5;/h1-3,6H,4H2;1H",47.835409999999996,19.24699,
7856,[C:1]([C@@:2]1([C:5]#[C:6][H:13])[C:3]([H:10])([H:11])[N:4]1[H:12])([H:7])([H:8])[H:9],[C:1]([C@@:2]([N:4]([C:3][H:11])[H:12])([C:5]#[C:6][H:13])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-3-5(2)4-6-5/h1,6H,4H2,2H3/t5-/m1/s1","InChI=1S/C5H7N/c1-4-5(2)6-3/h1,3,5-6H,2H3/t5-/m1/s1",73.41507,35.30787,
7857,[C:1]([C@@:2]1([C:5]#[C:6][H:13])[C:3]([H:10])([H:11])[N:4]1[H:12])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([C:6](=[C:5])[H:13])[C:3]([H:10])([H:11])[N:4]1[H:12])([H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-3-5(2)4-6-5/h1,6H,4H2,2H3/t5-/m1/s1","InChI=1S/C5H7N/c1-3-5(2)4-6-5/h3,6H,4H2,2H3/t5-/m1/s1",53.76491,53.768,Singlet_Carbene_Intra_Disproportionation
7858,[C:1]([C@@:2]1([C:5]#[C:6][H:13])[C:3]([H:10])([H:11])[N:4]1[H:12])([H:7])([H:8])[H:9],[C:1]([C:2]1=[C:5]=[C:6]([H:13])[C:3]([H:10])([H:11])[N:4]1[H:12])([H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-3-5(2)4-6-5/h1,6H,4H2,2H3/t5-/m1/s1","InChI=1S/C5H7N/c1-5-3-2-4-6-5/h2,6H,4H2,1H3",66.67829,0.57708,
7859,[C:1]([C@@:2]1([C:5]#[C:6][H:13])[C:3]([H:10])([H:11])[N:4]1[H:12])([H:7])([H:8])[H:9],[C:1]([C:2]1=[C:5]=[C:6]([H:13])[N:4]([H:12])[C:3]1([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-3-5(2)4-6-5/h1,6H,4H2,2H3/t5-/m1/s1","InChI=1S/C5H7N/c1-5-2-3-6-4-5/h3,6H,4H2,1H3",65.73292,2.71355,
7860,[C:1]([C@@:2]1([C:5]#[C:6][H:13])[C:3]([H:10])([H:11])[N:4]1[H:12])([H:7])([H:8])[H:9],[C:1]([C:2]([N:4]([C-:3]([H:10])[H:11])[H:12])=[C:5]=[C+:6][H:13])([H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-3-5(2)4-6-5/h1,6H,4H2,2H3/t5-/m1/s1","InChI=1S/C5H7N/c1-4-5(2)6-3/h1,6H,3H2,2H3",34.81657,12.96503,
7861,[C:1]([C@@:2]1([C:5]#[C:6][H:13])[C:3]([H:10])([H:11])[N:4]1[H:12])([H:7])([H:8])[H:9],[C:1](/[C:2](=[N:4]\[C:3]([H:10])([H:11])[H:12])[C:5]#[C:6][H:13])([H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-3-5(2)4-6-5/h1,6H,4H2,2H3/t5-/m1/s1","InChI=1S/C5H7N/c1-4-5(2)6-3/h1H,2-3H3/b6-5+",64.44514000000001,-12.01883,
7862,[C:1]([C@@:2]1([C:5]#[C:6][H:13])[C:3]([H:10])([H:11])[N:4]1[H:12])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([C-:5]=[C:6]([H:11])[H:13])[C+:3]([H:10])[N:4]1[H:12])([H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-3-5(2)4-6-5/h1,6H,4H2,2H3/t5-/m1/s1","InChI=1S/C5H7N/c1-3-5(2)4-6-5/h4,6H,1H2,2H3/t5-/m1/s1",106.63931000000001,48.9154,
7863,[C:1]([C@@:2]1([C:5]#[C:6][H:13])[C:3]([H:10])([H:11])[N:4]1[H:12])([H:7])([H:8])[H:9],[C:1](=[C:2]([C:5]#[C:6][H:13])[H:8])([H:7])[H:9].[C:3](=[N:4][H:12])([H:10])[H:11],"InChI=1S/C5H7N/c1-3-5(2)4-6-5/h1,6H,4H2,2H3/t5-/m1/s1","InChI=1S/C4H4.CH3N/c1-3-4-2;1-2/h1,4H,2H2;2H,1H2",82.21444,8.657689999999999,
7864,[C:1]([C@@:2]1([C:5]#[C:6][H:13])[C:3]([H:10])([H:11])[N:4]1[H:12])([H:7])([H:8])[H:9],[C:1]([C:3]([N:4]([C-:2]=[C:5]=[C+:6][H:13])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-3-5(2)4-6-5/h1,6H,4H2,2H3/t5-/m1/s1","InChI=1S/C5H7N/c1-3-5-6-4-2/h1,6H,4H2,2H3",93.92379,21.06148,
7865,[C:1]([C@@:2]1([C:5]#[C:6][H:13])[C:3]([H:10])([H:11])[N:4]1[H:12])([H:7])([H:8])[H:9],[C:1]([N+:4]1([H:12])[C-:2]([C:5]#[C:6][H:13])[C:3]1([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-3-5(2)4-6-5/h1,6H,4H2,2H3/t5-/m1/s1","InChI=1S/C5H7N/c1-3-5-4-6(5)2/h1,6H,4H2,2H3",87.99928,50.784459999999996,
7866,[C:1]([N:2]1[C:3]([H:10])([H:11])[C@:4]1([C:5](=[O:6])[H:13])[H:12])([H:7])([H:8])[H:9],[C:1]([N+:2]1([H:11])[C-:3]([H:10])[C@:4]1([C:5](=[O:6])[H:13])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-5-2-4(5)3-6/h3-4H,2H2,1H3/t4-,5?/m0/s1","InChI=1S/C4H7NO/c1-5-2-4(5)3-6/h2-5H,1H3/t4-/m0/s1",65.69889,53.24276999999999,
7867,[C:1]([N:2]1[C:3]([H:10])([H:11])[C@:4]1([C:5](=[O:6])[H:13])[H:12])([H:7])([H:8])[H:9],[C:1]([O:6][C@:5]1([H:13])[N:2]2[C:3]([H:10])([H:11])[C@:4]21[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-5-2-4(5)3-6/h3-4H,2H2,1H3/t4-,5?/m0/s1","InChI=1S/C4H7NO/c1-6-4-3-2-5(3)4/h3-4H,2H2,1H3/t3-,4-,5?/m0/s1",87.12422,30.27897,
7868,[C:1]([N:2]1[C:3]([H:10])([H:11])[C@:4]1([C:5](=[O:6])[H:13])[H:12])([H:7])([H:8])[H:9],[C:1]([N+:2]1=[C:3]([H:11])[C@:4]1([C-:5]([O:6][H:10])[H:13])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-5-2-4(5)3-6/h3-4H,2H2,1H3/t4-,5?/m0/s1","InChI=1S/C4H7NO/c1-5-2-4(5)3-6/h2-4,6H,1H3/t4-/m0/s1",93.75055,64.04176,
7869,[C:1]([N:2]1[C:3]([H:10])([H:11])[C@:4]1([C:5](=[O:6])[H:13])[H:12])([H:7])([H:8])[H:9],[C:1]([N+:2](=[C:3]([H:10])[H:11])[C:4](=[C:5]([O-:6])[H:13])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-5-2-4(5)3-6/h3-4H,2H2,1H3/t4-,5?/m0/s1","InChI=1S/C4H7NO/c1-5(2)3-4-6/h3-4H,1H2,2H3",26.18562,3.69254,
7870,[C:1]([N:2]1[C:3]([H:10])([H:11])[C@:4]1([C:5](=[O:6])[H:13])[H:12])([H:7])([H:8])[H:9],[C:1]([N:2]1[C:3]([H:10])([H:11])[C@@:5]2([H:13])[C@:4]1([H:12])[O:6]2)([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-5-2-4(5)3-6/h3-4H,2H2,1H3/t4-,5?/m0/s1","InChI=1S/C4H7NO/c1-5-2-3-4(5)6-3/h3-4H,2H2,1H3/t3-,4-/m0/s1",38.29813,22.67584,
7871,[C:1]([N:2]1[C:3]([H:10])([H:11])[C@:4]1([C:5](=[O:6])[H:13])[H:12])([H:7])([H:8])[H:9],[C:1]([N:2]1[C:3]([H:10])([H:11])/[C:4]1=[C:5](\[O:6][H:12])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-5-2-4(5)3-6/h3-4H,2H2,1H3/t4-,5?/m0/s1","InChI=1S/C4H7NO/c1-5-2-4(5)3-6/h3,6H,2H2,1H3/b4-3+",65.13819000000001,15.5766,ketoenol
7872,[C:1]([N:2]1[C:3]([H:10])([H:11])[C@:4]1([C:5](=[O:6])[H:13])[H:12])([H:7])([H:8])[H:9],[C-:5]#[O+:6].[C:1]([N+:2]1([H:13])[C:3]([H:10])([H:11])[C-:4]1[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-5-2-4(5)3-6/h3-4H,2H2,1H3/t4-,5?/m0/s1","InChI=1S/C3H7N.CO/c1-4-2-3-4;1-2/h2,4H,3H2,1H3;",53.67448,55.901,
7873,[C:1]([N:2]1[C:3]([H:10])([H:11])[C@:4]1([C:5](=[O:6])[H:13])[H:12])([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:13].[N:2]12[C:3]([H:10])([H:11])[C@@:4]1([H:12])[C:5]2=[O:6],"InChI=1S/C4H7NO/c1-5-2-4(5)3-6/h3-4H,2H2,1H3/t4-,5?/m0/s1","InChI=1S/C3H3NO.CH4/c5-3-2-1-4(2)3;/h2H,1H2;1H4/t2-,4?;/m0./s1",105.64758,21.28804,
7874,[C:1]([N:2]1[C:3]([H:10])([H:11])[C@:4]1([C:5](=[O:6])[H:13])[H:12])([H:7])([H:8])[H:9],[C:1](=[N+:2]1[C:3]([H:10])([H:11])[C@:4]1([C:5]([O-:6])([H:9])[H:13])[H:12])([H:7])[H:8],"InChI=1S/C4H7NO/c1-5-2-4(5)3-6/h3-4H,2H2,1H3/t4-,5?/m0/s1","InChI=1S/C4H7NO/c1-5-2-4(5)3-6/h4H,1-3H2/t4-/m0/s1",64.61026,58.93042,
7875,[C:1]([N:2]1[C:3]([H:10])([H:11])[C@:4]1([C:5](=[O:6])[H:13])[H:12])([H:7])([H:8])[H:9],[C:1]([N:2]([C:4](=[C:3]([H:10])[H:11])[H:12])[C:5](=[O:6])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-5-2-4(5)3-6/h3-4H,2H2,1H3/t4-,5?/m0/s1","InChI=1S/C4H7NO/c1-3-5(2)4-6/h3-4H,1H2,2H3",63.96915,-27.242070000000002,
7876,[C:1]([N:2]1[C:3]([H:10])([H:11])[C@:4]1([C:5](=[O:6])[H:13])[H:12])([H:7])([H:8])[H:9],[C:1](/[N:2]=[C:4](/[C:3]([C:5](=[O:6])[H:13])([H:10])[H:11])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-5-2-4(5)3-6/h3-4H,2H2,1H3/t4-,5?/m0/s1","InChI=1S/C4H7NO/c1-5-3-2-4-6/h3-4H,2H2,1H3/b5-3+",67.63242,-16.7652,
7877,[C:1]([N:2]1[C:3]([H:10])([H:11])[C@:4]1([C:5](=[O:6])[H:13])[H:12])([H:7])([H:8])[H:9],[C-:1]([N+:2]1=[C:3]([H:10])[C@:4]1([C:5](=[O:6])[H:13])[H:12])([H:7])[H:8].[H:9][H:11],"InChI=1S/C4H7NO/c1-5-2-4(5)3-6/h3-4H,2H2,1H3/t4-,5?/m0/s1","InChI=1S/C4H5NO.H2/c1-5-2-4(5)3-6;/h2-4H,1H2;1H/t4-;/m0./s1",72.0158,64.61971,
7878,[C:1]([N:2]1[C:3]([H:10])([H:11])[C@:4]1([C:5](=[O:6])[H:13])[H:12])([H:7])([H:8])[H:9],[C:1](=[N+:2]1[C:3]([H:10])([H:11])[C:4]1=[C:5]([O-:6])[H:13])([H:7])[H:8].[H:9][H:12],"InChI=1S/C4H7NO/c1-5-2-4(5)3-6/h3-4H,2H2,1H3/t4-,5?/m0/s1","InChI=1S/C4H5NO.H2/c1-5-2-4(5)3-6;/h3H,1-2H2;1H",63.973290000000006,50.13414,
7879,[C:1]([N:2]1[C:3]([H:10])([H:11])[C@:4]1([C:5](=[O:6])[H:13])[H:12])([H:7])([H:8])[H:9],[C:1]([N+:2]1([H:12])[C:3]([H:10])([H:11])[C:4]1=[C:5]([O-:6])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-5-2-4(5)3-6/h3-4H,2H2,1H3/t4-,5?/m0/s1","InChI=1S/C4H7NO/c1-5-2-4(5)3-6/h3,6H,2H2,1H3",68.52381,30.85737,
7880,[C:1]([N:2]1[C:3]([H:10])([H:11])[C@:4]1([C:5](=[O:6])[H:13])[H:12])([H:7])([H:8])[H:9],[C:1]([C:3](/[N:2]=[C:4](\[C:5](=[O:6])[H:13])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-5-2-4(5)3-6/h3-4H,2H2,1H3/t4-,5?/m0/s1","InChI=1S/C4H7NO/c1-2-5-3-4-6/h3-4H,2H2,1H3/b5-3-",82.71521,-13.835,
7881,[C:1]([C@@:2]1([H:10])[C@:3]([O:4][H:12])([H:11])[C@:5]1([O:6][H:14])[H:13])([H:7])([H:8])[H:9],[C:1]1([H:7])([H:9])[C@:2]2([H:10])[C@@:3]([O:4][H:12])([H:11])[C@:5]12[H:13].[O:6]([H:8])[H:14],"InChI=1S/C4H8O2/c1-2-3(5)4(2)6/h2-6H,1H3/t2-,3+,4-","InChI=1S/C4H6O.H2O/c5-4-2-1-3(2)4;/h2-5H,1H2;1H2/t2-,3+,4-;",92.3419,27.703940000000003,
7882,[C:1]([C@@:2]1([H:10])[C@:3]([O:4][H:12])([H:11])[C@:5]1([O:6][H:14])[H:13])([H:7])([H:8])[H:9],[C:1]([O:6][H:14])([H:7])([H:8])[H:9].[C:2]1([H:10])=[C:5]([H:13])[C:3]1([O:4][H:12])[H:11],"InChI=1S/C4H8O2/c1-2-3(5)4(2)6/h2-6H,1H3/t2-,3+,4-","InChI=1S/C3H4O.CH4O/c4-3-1-2-3;1-2/h1-4H;2H,1H3",92.8519,45.80342,
7883,[C:1]([C@@:2]1([H:10])[C@:3]([O:4][H:12])([H:11])[C@:5]1([O:6][H:14])[H:13])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C@:3]([O:4][H:12])([H:11])[C:5]1)([H:7])([H:8])[H:9].[O:6]([H:13])[H:14],"InChI=1S/C4H8O2/c1-2-3(5)4(2)6/h2-6H,1H3/t2-,3+,4-","InChI=1S/C4H6O.H2O/c1-3-2-4(3)5;/h3-5H,1H3;1H2/t3-,4+;/m1./s1",75.35191999999999,17.05743,
7884,[C:1]([C@@:2]1([H:10])[C@:3]([O:4][H:12])([H:11])[C@:5]1([O:6][H:14])[H:13])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3](=[O:4])[C@:5]1([O:6][H:14])[H:13])([H:7])([H:8])[H:9].[H:11][H:12],"InChI=1S/C4H8O2/c1-2-3(5)4(2)6/h2-6H,1H3/t2-,3+,4-","InChI=1S/C4H6O2.H2/c1-2-3(5)4(2)6;/h2-3,5H,1H3;1H/t2-,3+;/m1./s1",83.03405,30.7608,
7885,[C:1]([C@@:2]1([H:10])[C@:3]([O:4][H:12])([H:11])[C@:5]1([O:6][H:14])[H:13])([H:7])([H:8])[H:9],[C:1](/[C:2](=[C:3](\[O:4][H:12])[H:11])[C:5]([O:6][H:14])([H:10])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-2-3(5)4(2)6/h2-6H,1H3/t2-,3+,4-","InChI=1S/C4H8O2/c1-4(2-5)3-6/h2,5-6H,3H2,1H3/b4-2+",61.38854,-13.30838,
7886,[C:1]([C@@:2]1([H:10])[C@:3]([O:4][H:12])([H:11])[C@:5]1([O:6][H:14])[H:13])([H:7])([H:8])[H:9],[C:1](=[C:2]([H:8])[H:10])([H:7])[H:9].[C:3](\[O:4][H:12])(=[C:5](\[O:6][H:14])[H:13])[H:11],"InChI=1S/C4H8O2/c1-2-3(5)4(2)6/h2-6H,1H3/t2-,3+,4-",InChI=1S/C2H4O2.C2H4/c3-1-2-4;1-2/h1-4H;1-2H2/b2-1-;,86.94792,11.54216,
7887,[C:1]([C@@:2]1([H:10])[C@:3]([O:4][H:12])([H:11])[C@:5]1([O:6][H:14])[H:13])([H:7])([H:8])[H:9],[C:1](/[C:2](=[C:3](\[O:4][H:12])[H:11])[H:10])([H:7])([H:8])[H:9].[C:5]([O:6][H:14])[H:13],"InChI=1S/C4H8O2/c1-2-3(5)4(2)6/h2-6H,1H3/t2-,3+,4-","InChI=1S/C3H6O.CH2O/c1-2-3-4;1-2/h2-4H,1H3;1-2H/b3-2-;",48.30468,61.42791,
7888,[C:1]([C@@:2]1([H:10])[C@:3]([O:4][H:12])([H:11])[C@:5]1([O:6][H:14])[H:13])([H:7])([H:8])[H:9],[C:1]([C:2]([C@@:3]([O:4][H:12])([C:5][O:6][H:14])[H:11])([H:10])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-2-3(5)4(2)6/h2-6H,1H3/t2-,3+,4-","InChI=1S/C4H8O2/c1-2-4(6)3-5/h4-6H,2H2,1H3/t4-/m1/s1",48.0288,31.50207,
7889,[C:1]([C@@:2]1([H:10])[C@:3]([O:4][H:12])([H:11])[C@:5]1([O:6][H:14])[H:13])([H:7])([H:8])[H:9],[C:1]([C@@:3]([O:4][H:12])([C@:5]([C:2][H:10])([O:6][H:14])[H:13])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-2-3(5)4(2)6/h2-6H,1H3/t2-,3+,4-","InChI=1S/C4H8O2/c1-3(5)4(2)6/h1,3-6H,2H3/t3-,4+/m0/s1",91.45130999999999,73.44558,
7890,[C:1]([C@@:2]1([H:10])[C@:3]([O:4][H:12])([H:11])[C@:5]1([O:6][H:14])[H:13])([H:7])([H:8])[H:9],[C:1]([C:2][C@@:5]([C:3]([O:4][H:12])([H:10])[H:11])([O:6][H:14])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-2-3(5)4(2)6/h2-6H,1H3/t2-,3+,4-","InChI=1S/C4H8O2/c1-2-4(6)3-5/h4-6H,3H2,1H3/t4-/m0/s1",62.22215,64.56568,
7891,[C:1]([C@@:2]1([H:10])[C@:3]([O:4][H:12])([H:11])[C@:5]1([O:6][H:14])[H:13])([H:7])([H:8])[H:9],[C:1]([C@@:2]([C:3]([O:4][H:12])([H:11])[H:14])([C:5](=[O:6])[H:13])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-2-3(5)4(2)6/h2-6H,1H3/t2-,3+,4-","InChI=1S/C4H8O2/c1-4(2-5)3-6/h2,4,6H,3H2,1H3/t4-/m1/s1",51.34081,-15.21122,
7892,[C:1]([C@@:2]1([H:10])[C@:3]([O:4][H:12])([H:11])[C@:5]1([O:6][H:14])[H:13])([H:7])([H:8])[H:9],[C:1]([C@@:2]([C:3]([O:4][H:12])([H:11])[H:13])([C:5][O:6][H:14])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-2-3(5)4(2)6/h2-6H,1H3/t2-,3+,4-","InChI=1S/C4H8O2/c1-4(2-5)3-6/h4-6H,2H2,1H3/t4-/m0/s1",55.176069999999996,37.21797,
7893,[C:1]([C@@:2]1([H:10])[C@:3]([O:4][H:12])([H:11])[C@:5]1([O:6][H:14])[H:13])([H:7])([H:8])[H:9],[C:1](=[C:2]([C@@:5]([C:3](=[O:4])[H:11])([O:6][H:14])[H:13])[H:10])([H:7])[H:9].[H:8][H:12],"InChI=1S/C4H8O2/c1-2-3(5)4(2)6/h2-6H,1H3/t2-,3+,4-","InChI=1S/C4H6O2.H2/c1-2-4(6)3-5;/h2-4,6H,1H2;1H/t4-;/m0./s1",36.935140000000004,11.90294,
7894,[C:1]([O:2][C:3]([C:4]#[N:5])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]1([H:6])([H:7])[O:2][C:3]([H:9])([H:10])[C:4][N:5]1[H:8],"InChI=1S/C3H5NO/c1-5-3-2-4/h3H2,1H3","InChI=1S/C3H5NO/c1-2-5-3-4-1/h4H,2-3H2",69.58059,36.19643,
7895,[C:1]([O:2][C:3]([C:4]#[N:5])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([C:4]#[N:5])([H:6])([H:7])[H:8].[O:2]=[C:3]([H:9])[H:10],"InChI=1S/C3H5NO/c1-5-3-2-4/h3H2,1H3",InChI=1S/C2H3N.CH2O/c1-2-3;1-2/h1H3;1H2,85.96479000000001,0.56455,
7896,[C:1]([O:2][C:3]([C:4]#[N:5])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([O:2][C:3]([N+:5]#[C-:4])([H:9])[H:10])([H:6])([H:7])[H:8],"InChI=1S/C3H5NO/c1-5-3-2-4/h3H2,1H3","InChI=1S/C3H5NO/c1-4-3-5-2/h3H2,2H3",50.179990000000004,22.3651,
7897,[C:1]([O:2][C:3]([C:4]#[N:5])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([O:2][C:4]1=[N:5][C:3]1([H:9])[H:10])([H:6])([H:7])[H:8],"InChI=1S/C3H5NO/c1-5-3-2-4/h3H2,1H3","InChI=1S/C3H5NO/c1-5-3-2-4-3/h2H2,1H3",75.9903,26.98374,
7898,[C:1]([O:2][C:3]([C:4]#[N:5])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1](=[O:2])([H:6])[H:7].[C:3](=[C:4]=[N:5][H:8])([H:9])[H:10],"InChI=1S/C3H5NO/c1-5-3-2-4/h3H2,1H3","InChI=1S/C2H3N.CH2O/c1-2-3;1-2/h3H,1H2;1H2",45.73168,21.29436,Retroene
7899,[C:1]([O:2][C:3]([C:4]#[N:5])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([N+:5]#[C-:4])([H:6])([H:7])[H:8].[O:2]=[C:3]([H:9])[H:10],"InChI=1S/C3H5NO/c1-5-3-2-4/h3H2,1H3",InChI=1S/C2H3N.CH2O/c1-3-2;1-2/h1H3;1H2,86.19870999999999,28.74117,
7900,[C:1]([O:2][C:3]([C:4]#[N:5])([H:9])[H:10])([H:6])([H:7])[H:8],[C+:3](=[C:4]=[N-:5])[H:9].[C:1]([O:2][H:10])([H:6])([H:7])[H:8],"InChI=1S/C3H5NO/c1-5-3-2-4/h3H2,1H3","InChI=1S/C2HN.CH4O/c1-2-3;1-2/h1H;2H,1H3",68.87581999999999,84.99028,
7901,[C:1]([O:2][C:3]([C:4]#[N:5])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([O+:2]=[C-:3][H:9])([H:6])([H:7])[H:8].[C:4]=[N:5][H:10],"InChI=1S/C3H5NO/c1-5-3-2-4/h3H2,1H3","InChI=1S/C2H4O.CHN/c1-3-2;1-2/h1H,2H3;2H",72.16982,92.07287,
7902,[C:1]([O:2][C:3]([C:4]#[N:5])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1](=[O+:2][C:3](=[C:4]=[N-:5])[H:9])([H:6])[H:7].[H:8][H:10],"InChI=1S/C3H5NO/c1-5-3-2-4/h3H2,1H3","InChI=1S/C3H3NO.H2/c1-5-3-2-4;/h3H,1H2;1H",61.89445,56.68623,
7903,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]([H:11])=[C:4]([H:12])[C:5]([H:13])([H:14])[O:6]1,[C:1]1([H:7])([H:8])[C:4]([C:3](=[C:2]([H:9])[H:10])[H:11])([H:12])[C:5]([H:13])([H:14])[O:6]1,"InChI=1S/C5H8O/c1-2-4-6-5-3-1/h1-2H,3-5H2","InChI=1S/C5H8O/c1-2-5-3-6-4-5/h2,5H,1,3-4H2",79.03081,23.301460000000002,
7904,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]([H:11])=[C:4]([H:12])[C:5]([H:13])([H:14])[O:6]1,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C-:3]([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])=[O+:6]1,"InChI=1S/C5H8O/c1-2-4-6-5-3-1/h1-2H,3-5H2","InChI=1S/C5H8O/c1-2-4-6-5-3-1/h1,4H,2-3,5H2",61.21181,63.159209999999995,
7905,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]([H:11])=[C:4]([H:12])[C:5]([H:13])([H:14])[O:6]1,[C:1]1([H:7])([H:8])[C:2]([H:9])=[C:3]([H:11])[C:4]([H:12])=[C:5]([H:14])[O:6]1.[H:10][H:13],"InChI=1S/C5H8O/c1-2-4-6-5-3-1/h1-2H,3-5H2","InChI=1S/C5H6O.H2/c1-2-4-6-5-3-1;/h1-4H,5H2;1H",50.31177,21.39806,
7906,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]([H:11])=[C:4]([H:12])[C:5]([H:13])([H:14])[O:6]1,[C:1](=[O:6])([H:7])[H:8].[C:2](=[C:3]([C:4](=[C:5]([H:13])[H:14])[H:12])[H:11])([H:9])[H:10],"InChI=1S/C5H8O/c1-2-4-6-5-3-1/h1-2H,3-5H2","InChI=1S/C4H6.CH2O/c1-3-4-2;1-2/h3-4H,1-2H2;1H2",36.57113,25.40055,Diels_alder_addition
7907,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]([H:11])=[C:4]([H:12])[C:5]([H:13])([H:14])[O:6]1,[C:1](=[C:2](/[C:3](=[C:4](\[C:5]([O:6][H:10])([H:13])[H:14])[H:12])[H:11])[H:9])([H:7])[H:8],"InChI=1S/C5H8O/c1-2-4-6-5-3-1/h1-2H,3-5H2","InChI=1S/C5H8O/c1-2-3-4-5-6/h2-4,6H,1,5H2/b4-3-",64.34414,8.97236,
7908,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]([H:11])=[C:4]([H:12])[C:5]([H:13])([H:14])[O:6]1,[C:1]1([H:7])([H:8])[C@:3]2([H:11])[C:2]([H:9])([H:10])[C@:4]2([H:12])[C:5]([H:13])([H:14])[O:6]1,"InChI=1S/C5H8O/c1-2-4-6-5-3-1/h1-2H,3-5H2","InChI=1S/C5H8O/c1-4-2-6-3-5(1)4/h4-5H,1-3H2/t4-,5+",91.02243,8.1903,
7909,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]([H:11])=[C:4]([H:12])[C:5]([H:13])([H:14])[O:6]1,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3][C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6]1,"InChI=1S/C5H8O/c1-2-4-6-5-3-1/h1-2H,3-5H2",InChI=1S/C5H8O/c1-2-4-6-5-3-1/h2-5H2,72.52015,75.20408,Singlet_Carbene_Intra_Disproportionation
7910,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]([H:11])=[C:4]([H:12])[C:5]([H:13])([H:14])[O:6]1,[C:1]([C:2]([H:9])([H:10])[H:13])([O:6]/[C:5](=[C:4](\[C:3][H:11])[H:12])[H:14])([H:7])[H:8],"InChI=1S/C5H8O/c1-2-4-6-5-3-1/h1-2H,3-5H2","InChI=1S/C5H8O/c1-3-5-6-4-2/h1,3,5H,4H2,2H3/b5-3-",107.00674,73.37764,
7911,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]([H:11])=[C:4]([H:12])[C:5]([H:13])([H:14])[O:6]1,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]([H:11])=[C:4]([H:12])[C-:5]=[O+:6]1.[H:13][H:14],"InChI=1S/C5H8O/c1-2-4-6-5-3-1/h1-2H,3-5H2","InChI=1S/C5H6O.H2/c1-2-4-6-5-3-1;/h1-2H,3,5H2;1H",67.46323000000001,66.6824,
7912,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]([H:11])=[C:4]([H:12])[C:5]([H:13])([H:14])[O:6]1,[C:1](=[C:2]([H:9])[H:10])([H:7])[H:8].[C:3](#[C:4][H:12])[H:11].[C:5](=[O:6])([H:13])[H:14],"InChI=1S/C5H8O/c1-2-4-6-5-3-1/h1-2H,3-5H2",InChI=1S/C2H4.C2H2.CH2O/c3*1-2/h1-2H2;1-2H;1H2,91.07044,67.71239,
7913,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]([H:11])=[C:4]([H:12])[C:5]([H:13])([H:14])[O:6]1,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]([H:11])([H:13])[C:4]([H:12])=[C:5]([H:14])[O:6]1,"InChI=1S/C5H8O/c1-2-4-6-5-3-1/h1-2H,3-5H2","InChI=1S/C5H8O/c1-2-4-6-5-3-1/h2,4H,1,3,5H2",64.87315,-5.8368400000000005,
7914,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]([H:11])=[C:4]([H:12])[C:5]([H:13])([H:14])[O:6]1,[C:1]([C:2](/[C:3](=[C:4](\[C:5][H:14])[H:12])[H:11])([H:9])[H:10])([O:6][H:13])([H:7])[H:8],"InChI=1S/C5H8O/c1-2-4-6-5-3-1/h1-2H,3-5H2","InChI=1S/C5H8O/c1-2-3-4-5-6/h1-3,6H,4-5H2/b3-2-",70.41968,69.19248,
7915,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]([H:11])=[C:4]([H:12])[C:5]([H:13])([H:14])[O:6]1,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]([H:11])([H:12])[C:4][C:5]([H:13])([H:14])[O:6]1,"InChI=1S/C5H8O/c1-2-4-6-5-3-1/h1-2H,3-5H2","InChI=1S/C5H8O/c1-2-4-6-5-3-1/h1-2,4-5H2",69.32970999999999,71.88172,Singlet_Carbene_Intra_Disproportionation
7916,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]([H:11])=[C:4]([H:12])[C:5]([H:13])([H:14])[O:6]1,[C:1]([C:2]([C:3](=[C:4]=[C:5]([H:13])[H:14])[H:11])([H:9])[H:10])([O:6][H:12])([H:7])[H:8],"InChI=1S/C5H8O/c1-2-4-6-5-3-1/h1-2H,3-5H2","InChI=1S/C5H8O/c1-2-3-4-5-6/h3,6H,1,4-5H2",98.59754000000001,16.00798,
7917,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]([H:11])=[C:4]([H:12])[C:5]([H:13])([H:14])[O:6]1,[C:1]1([H:8])=[O+:6][C:5]([H:13])([H:14])[C:4]([H:12])=[C-:3][C:2]1([H:9])[H:10].[H:7][H:11],"InChI=1S/C5H8O/c1-2-4-6-5-3-1/h1-2H,3-5H2","InChI=1S/C5H6O.H2/c1-2-4-6-5-3-1;/h2,5H,3-4H2;1H",89.6708,87.40335999999999,
7918,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]([H:11])=[C:4]([H:12])[C:5]([H:13])([H:14])[O:6]1,[C:1]1([H:7])([H:8])[C+:2]([H:10])[C:3]([H:11])=[C-:4][C:5]([H:13])([H:14])[O:6]1.[H:9][H:12],"InChI=1S/C5H8O/c1-2-4-6-5-3-1/h1-2H,3-5H2","InChI=1S/C5H6O.H2/c1-2-4-6-5-3-1;/h1-2H,4-5H2;1H",105.21645,89.71704,
7919,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]([H:11])=[C:4]([H:12])[C:5]([H:13])([H:14])[O:6]1,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]([H:11])=[C:4]=[C:5]([H:14])[O:6]1.[H:12][H:13],"InChI=1S/C5H8O/c1-2-4-6-5-3-1/h1-2H,3-5H2","InChI=1S/C5H6O.H2/c1-2-4-6-5-3-1;/h1,5H,2,4H2;1H",79.6803,61.411680000000004,
7920,[O-:1][C:2](=[C:3]([N+:4]#[N:5])[H:7])[H:6],[N:4]#[N:5].[O:1]=[C:2]=[C:3]([H:6])[H:7],InChI=1S/C2H2N2O/c3-4-1-2-5/h1-2H,InChI=1S/C2H2O.N2/c1-2-3;1-2/h1H2;,34.72392,-29.550590000000003,
7921,[O-:1][C:2](=[C:3]([N+:4]#[N:5])[H:7])[H:6],[O:1]=[C:2]([C:3]#[N+:4][N-:5][H:7])[H:6],InChI=1S/C2H2N2O/c3-4-1-2-5/h1-2H,InChI=1S/C2H2N2O/c3-4-1-2-5/h2-3H,89.05242,31.070809999999998,
7922,[O-:1][C:2](=[C:3]([N+:4]#[N:5])[H:7])[H:6],[N:4]#[N:5].[O-:1][C:2](=[C+:3][H:7])[H:6],InChI=1S/C2H2N2O/c3-4-1-2-5/h1-2H,InChI=1S/C2H2O.N2/c1-2-3;1-2/h1-2H;,48.01025,47.839729999999996,
7923,[O-:1][C:2](=[C:3]([N+:4]#[N:5])[H:7])[H:6],[C:3](=[N+:4]=[N-:5])([H:6])[H:7].[O+:1]#[C-:2],InChI=1S/C2H2N2O/c3-4-1-2-5/h1-2H,InChI=1S/CH2N2.CO/c1-3-2;1-2/h1H2;,70.36049,15.333060000000001,
7924,[O-:1][C:2](=[C:3]([N+:4]#[N:5])[H:7])[H:6],[O:1]=[C:2]([C:3]1([H:7])[N:4]=[N:5]1)[H:6],InChI=1S/C2H2N2O/c3-4-1-2-5/h1-2H,InChI=1S/C2H2N2O/c5-1-2-3-4-2/h1-2H,43.878820000000005,30.1608,
7925,[O-:1][C:2](=[C:3]([N+:4]#[N:5])[H:7])[H:6],[O:1]([C:2](=[C:3]=[N+:4]=[N-:5])[H:6])[H:7],InChI=1S/C2H2N2O/c3-4-1-2-5/h1-2H,"InChI=1S/C2H2N2O/c3-4-1-2-5/h2,5H",47.2498,21.24305,
7926,[O:1]=[C:2]1[O:3][C:4]([H:7])([H:8])[C:5]([H:9])([H:10])[O:6]1,[O:1]=[C:2]=[O:6].[O:3]1[C:4]([H:7])([H:8])[C:5]1([H:9])[H:10],InChI=1S/C3H4O3/c4-3-5-1-2-6-3/h1-2H2,InChI=1S/C2H4O.CO2/c1-2-3-1;2-1-3/h1-2H2;,63.471630000000005,15.62809,
7927,[O:1]=[C:2]1[O:3][C:4]([H:7])([H:8])[C:5]([H:9])([H:10])[O:6]1,[C:4]([C:5](=[O:6])[H:10])([H:7])([H:8])[H:9].[O:1]=[C:2]=[O:3],InChI=1S/C3H4O3/c4-3-5-1-2-6-3/h1-2H2,"InChI=1S/C2H4O.CO2/c1-2-3;2-1-3/h2H,1H3;",56.64996,-11.90922,
7928,[O:1]=[C:2]1[O:3][C:4]([H:7])([H:8])[C:5]([H:9])([H:10])[O:6]1,[H:8][H:10].[O:1]=[c:2]1[o:3][c:4]([H:7])[c:5]([H:9])[o:6]1,InChI=1S/C3H4O3/c4-3-5-1-2-6-3/h1-2H2,InChI=1S/C3H2O3.H2/c4-3-5-1-2-6-3;/h1-2H;1H,112.69169,25.68085,
7929,[O:1]=[C:2]1[O:3][C:4]([H:7])([H:8])[C:5]([H:9])([H:10])[O:6]1,[O:1]([C:2]1=[O+:6][C-:5]([H:10])[C:4]([H:7])([H:8])[O:3]1)[H:9],InChI=1S/C3H4O3/c4-3-5-1-2-6-3/h1-2H2,"InChI=1S/C3H4O3/c4-3-5-1-2-6-3/h1,4H,2H2",111.10863,76.04126,
7930,[O:1]=[C:2]1[O:3][C:4]([H:7])([H:8])[C:5]([H:9])([H:10])[O:6]1,[O:1]([C@:2]12[O:3][C@@:4]1([H:8])[C:5]([H:9])([H:10])[O:6]2)[H:7],InChI=1S/C3H4O3/c4-3-5-1-2-6-3/h1-2H2,"InChI=1S/C3H4O3/c4-3-2(6-3)1-5-3/h2,4H,1H2/t2-,3+/m0/s1",120.0411,58.58856,
7931,[O:1]=[C:2]1[O:3][C:4]([H:7])([H:8])[C:5]([H:9])([H:10])[O:6]1,[C:5](=[O:6])([H:9])[H:10].[O+:1]#[C-:2].[O:3]=[C:4]([H:7])[H:8],InChI=1S/C3H4O3/c4-3-5-1-2-6-3/h1-2H2,InChI=1S/2CH2O.CO/c3*1-2/h2*1H2;,76.24821999999999,45.139340000000004,
7932,[O:1]=[C:2]1[O:3][C:4]([H:7])([H:8])[C:5]([H:9])([H:10])[O:6]1,[O:1]=[C:2]([O+:3]=[C-:4][H:8])[O:6][C:5]([H:7])([H:9])[H:10],InChI=1S/C3H4O3/c4-3-5-1-2-6-3/h1-2H2,"InChI=1S/C3H4O3/c1-5-3(4)6-2/h1H,2H3",85.1349,76.93652,
7933,[O:1]=[C:2]1[O:3][C:4]([H:7])([H:8])[C:5]([H:9])([H:10])[O:6]1,[O:1]=[C:2]=[O:6].[O:3]([C:4](=[C:5]([H:9])[H:10])[H:7])[H:8],InChI=1S/C3H4O3/c4-3-5-1-2-6-3/h1-2H2,"InChI=1S/C2H4O.CO2/c1-2-3;2-1-3/h2-3H,1H2;",91.38486,-5.04167,
7934,[C:1]([O:2][C:3]([C:4]#[C:5][C:6]([H:12])([H:13])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:4]#[C:5][C:6]([H:12])([H:13])[H:14])([H:7])([H:8])[H:9].[O:2]=[C:3]([H:10])[H:11],"InChI=1S/C5H8O/c1-3-4-5-6-2/h5H2,1-2H3",InChI=1S/C4H6.CH2O/c1-3-4-2;1-2/h1-2H3;1H2,82.1779,2.77553,
7935,[C:1]([O:2][C:3]([C:4]#[C:5][C:6]([H:12])([H:13])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](=[O:2])([H:7])[H:8].[C:3](=[C:4]=[C:5]([C:6]([H:12])([H:13])[H:14])[H:9])([H:10])[H:11],"InChI=1S/C5H8O/c1-3-4-5-6-2/h5H2,1-2H3","InChI=1S/C4H6.CH2O/c1-3-4-2;1-2/h4H,1H2,2H3;1H2",33.071020000000004,3.1974299999999998,Retroene
7936,[C:1]([O:2][C:3]([C:4]#[C:5][C:6]([H:12])([H:13])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:2][C:3]([C:5](=[C:4])[C:6]([H:12])([H:13])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-3-4-5-6-2/h5H2,1-2H3","InChI=1S/C5H8O/c1-5(2)4-6-3/h4H2,1,3H3",51.9443,50.8248,
7937,[C:1]([O:2][C:3]([C:4]#[C:5][C:6]([H:12])([H:13])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:2][C:3](=[C:4]=[C:5]([C:6]([H:12])([H:13])[H:14])[H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-3-4-5-6-2/h5H2,1-2H3","InChI=1S/C5H8O/c1-3-4-5-6-2/h3,5H,1-2H3",72.87647,-6.44064,
7938,[C:1]([O:2][C:3]([C:4]#[C:5][C:6]([H:12])([H:13])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:2][H:14])([H:7])([H:8])[H:9].[C:3](=[C:4]=[C:5]=[C:6]([H:12])[H:13])([H:10])[H:11],"InChI=1S/C5H8O/c1-3-4-5-6-2/h5H2,1-2H3","InChI=1S/C4H4.CH4O/c1-3-4-2;1-2/h1-2H2;2H,1H3",60.321000000000005,15.67729,
7939,[C:1]([O:2][C:3]([C:4]#[C:5][C:6]([H:12])([H:13])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:2][C:5](=[C:4]=[C:3]([H:10])[H:11])[C:6]([H:12])([H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-3-4-5-6-2/h5H2,1-2H3","InChI=1S/C5H8O/c1-4-5(2)6-3/h1H2,2-3H3",57.563030000000005,-2.9956,
7940,[C:1]([O:2][C:3]([C:4]#[C:5][C:6]([H:12])([H:13])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:2]/[C:3](=[C:4](\[C:5][C:6]([H:12])([H:13])[H:14])[H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-3-4-5-6-2/h5H2,1-2H3","InChI=1S/C5H8O/c1-3-4-5-6-2/h4-5H,1-2H3/b5-4-",58.64252,40.8051,
7941,[C:1]([O:2][C:3]([C:4]#[C:5][C:6]([H:12])([H:13])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:2][C:3]([C:4](=[C:5]=[C:6]([H:12])[H:13])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-3-4-5-6-2/h5H2,1-2H3","InChI=1S/C5H8O/c1-3-4-5-6-2/h4H,1,5H2,2H3",70.15126,-0.12774000000000002,
7942,[C:1]([O:2][C:3]([C:4]#[C:5][C:6]([H:12])([H:13])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([O:2][C:3]([C-:4]=[C:5]([C+:6]([H:12])[H:13])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-3-4-5-6-2/h5H2,1-2H3","InChI=1S/C5H8O/c1-3-4-5-6-2/h3H,1,5H2,2H3",69.32616999999999,56.93379,
7943,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@:3]1([H:10])[C@@:4]1([H:11])[C:5]([H:12])([H:13])[C@@:6]21[H:14],[C:1]1([H:7])([H:8])[C@@:2]([C:6](=[C:5]([H:12])[H:13])[H:14])([H:9])[C@@:3]1([C:4][H:11])[H:10],"InChI=1S/C6H8/c1-3-4(1)6-2-5(3)6/h3-6H,1-2H2/t3-,4+,5-,6+","InChI=1S/C6H8/c1-3-6-4-5(6)2/h2-3,5-6H,1,4H2/t5-,6+/m1/s1",49.55154,40.665729999999996,
7944,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@:3]1([H:10])[C@@:4]1([H:11])[C:5]([H:12])([H:13])[C@@:6]21[H:14],[C:1](=[C:3]([C@@:4]1([H:11])[C:5]([H:12])([H:13])[C:6]1=[C:2]([H:9])[H:14])[H:10])([H:7])[H:8],"InChI=1S/C6H8/c1-3-4(1)6-2-5(3)6/h3-6H,1-2H2/t3-,4+,5-,6+","InChI=1S/C6H8/c1-3-6-4-5(6)2/h3,6H,1-2,4H2/t6-/m0/s1",90.84351,-23.25583,
7945,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@:3]1([H:10])[C@@:4]1([H:11])[C:5]([H:12])([H:13])[C@@:6]21[H:14],[C:1](=[C:3]([C@@:2]1([H:9])[C@@:4]2([H:11])[C:5]([H:12])([H:13])[C@@:6]12[H:14])[H:10])([H:7])[H:8],"InChI=1S/C6H8/c1-3-4(1)6-2-5(3)6/h3-6H,1-2H2/t3-,4+,5-,6+","InChI=1S/C6H8/c1-2-4-5-3-6(4)5/h2,4-6H,1,3H2/t4-,5+,6-",55.077580000000005,-14.19704,
7946,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@:3]1([H:10])[C@@:4]1([H:11])[C:5]([H:12])([H:13])[C@@:6]21[H:14],[C:1]1([H:7])([H:8])[C:2]([H:9])=[C:6]([H:14])[C:5]([H:12])([H:13])[C:4]([H:11])=[C:3]1[H:10],"InChI=1S/C6H8/c1-3-4(1)6-2-5(3)6/h3-6H,1-2H2/t3-,4+,5-,6+","InChI=1S/C6H8/c1-2-4-6-5-3-1/h1-2,5-6H,3-4H2",38.379490000000004,-59.32806,
7947,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@:3]1([H:10])[C@@:4]1([H:11])[C:5]([H:12])([H:13])[C@@:6]21[H:14],[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@:3]1([H:10])[C:4]([H:11])([H:14])[C:5]([H:12])([H:13])[C:6]2,"InChI=1S/C6H8/c1-3-4(1)6-2-5(3)6/h3-6H,1-2H2/t3-,4+,5-,6+","InChI=1S/C6H8/c1-2-5-4-6(5)3-1/h5-6H,1-2,4H2/t5-,6+/m1/s1",52.46826,19.474629999999998,
7948,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@:3]1([H:10])[C@@:4]1([H:11])[C:5]([H:12])([H:13])[C@@:6]21[H:14],[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@:3]1([H:10])[C:4]([H:11])([H:12])[C@:6]2([C:5][H:13])[H:14],"InChI=1S/C6H8/c1-3-4(1)6-2-5(3)6/h3-6H,1-2H2/t3-,4+,5-,6+","InChI=1S/C6H8/c1-4-2-5-3-6(4)5/h1,4-6H,2-3H2/t4-,5-,6-/m1/s1",59.956140000000005,55.06953000000001,
7949,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@:3]1([H:10])[C@@:4]1([H:11])[C:5]([H:12])([H:13])[C@@:6]21[H:14],[C:1]1([H:7])([H:8])[C:2][C@@:3]1([C:4]1([H:11])[C:5]([H:12])([H:13])[C:6]1([H:9])[H:14])[H:10],"InChI=1S/C6H8/c1-3-4(1)6-2-5(3)6/h3-6H,1-2H2/t3-,4+,5-,6+","InChI=1S/C6H8/c1-2-5(1)6-3-4-6/h5-6H,1-3H2/t6-/m1/s1",62.76716999999999,51.134570000000004,
7950,[C:1]1([H:7])([H:8])[C@@:2]2([H:9])[C@:3]1([H:10])[C@@:4]1([H:11])[C:5]([H:12])([H:13])[C@@:6]21[H:14],[C:1]1([H:8])=[C:2]([H:9])[C:3]1([C:4]1([H:11])[C:5]([H:12])=[C:6]1[H:14])[H:10].[H:7][H:13],"InChI=1S/C6H8/c1-3-4(1)6-2-5(3)6/h3-6H,1-2H2/t3-,4+,5-,6+",InChI=1S/C6H6.H2/c1-2-5(1)6-3-4-6;/h1-6H;1H,80.75768000000001,53.37651999999999,
7951,[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([N:4]([H:13])[H:14])[C:5]#[N:6])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])=[N:4][H:13])([H:7])([H:8])[H:9].[C:5]=[N:6][H:14],"InChI=1S/C4H8N2/c1-4(2,6)3-5/h6H2,1-2H3","InChI=1S/C3H7N.CHN/c1-3(2)4;1-2/h4H,1-2H3;2H",45.94251,39.05847,
7952,[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([N:4]([H:13])[H:14])[C:5]#[N:6])([H:7])([H:8])[H:9],[C+:2]([N:4]([H:13])[H:14])=[C:5]=[N-:6].[C:1]([C:3]([H:10])([H:11])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H8N2/c1-4(2,6)3-5/h6H2,1-2H3",InChI=1S/C2H2N2.C2H6/c3-1-2-4;1-2/h3H2;1-2H3,111.99856000000001,48.14945,
7953,[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([N:4]([H:13])[H:14])[C:5]#[N:6])([H:7])([H:8])[H:9],[C:1]1([H:8])([H:9])[C@:2]([C:3]([H:10])([H:11])[H:12])([N:4]([H:13])[H:14])/[C:5]1=[N:6]/[H:7],"InChI=1S/C4H8N2/c1-4(2,6)3-5/h6H2,1-2H3","InChI=1S/C4H8N2/c1-4(6)2-3(4)5/h5H,2,6H2,1H3/b5-3+/t4-/m0/s1",104.83729,34.4525,
7954,[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([N:4]([H:13])[H:14])[C:5]#[N:6])([H:7])([H:8])[H:9],[C:1]([C-:2]([N+:4]([C:3]([H:10])([H:11])[H:12])([H:13])[H:14])[C:5]#[N:6])([H:7])([H:8])[H:9],"InChI=1S/C4H8N2/c1-4(2,6)3-5/h6H2,1-2H3","InChI=1S/C4H8N2/c1-4(3-5)6-2/h6H2,1-2H3",93.38681,54.102619999999995,
7955,[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([N:4]([H:13])[H:14])[C:5]#[N:6])([H:7])([H:8])[H:9],[C:1]([C:2]1([C:3]([H:10])([H:11])[H:12])[C:5]([N:4]([H:13])[H:14])=[N:6]1)([H:7])([H:8])[H:9],"InChI=1S/C4H8N2/c1-4(2,6)3-5/h6H2,1-2H3","InChI=1S/C4H8N2/c1-4(2)3(5)6-4/h1-2H3,(H2,5,6)",75.20316,24.62464,
7956,[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([N:4]([H:13])[H:14])[C:5]#[N:6])([H:7])([H:8])[H:9],[C:1](=[C:2]([C:3]([H:10])([H:11])[H:12])[N:4]([H:13])[H:14])([H:8])[H:9].[C:5](#[N:6])[H:7],"InChI=1S/C4H8N2/c1-4(2,6)3-5/h6H2,1-2H3","InChI=1S/C3H7N.CHN/c1-3(2)4;1-2/h1,4H2,2H3;1H",45.7104,22.55411,
7957,[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([N:4]([H:13])[H:14])[C:5]#[N:6])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])([N:4]([H:13])[H:14])[N+:6]#[C-:5])([H:7])([H:8])[H:9],"InChI=1S/C4H8N2/c1-4(2,6)3-5/h6H2,1-2H3","InChI=1S/C4H8N2/c1-4(2,5)6-3/h5H2,1-2H3",43.43353,21.62867,
7958,[C:1]([C:2]([C:3]([C:4](=[O:5])[N:6]([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]([H:12])[H:13])[H:11])([H:7])([H:8])[H:9].[C:4]([O:5][H:10])[N:6]([H:14])[H:15],"InChI=1S/C4H9NO/c1-2-3-4(5)6/h2-3H2,1H3,(H2,5,6)","InChI=1S/C3H6.CH3NO/c1-3-2;2-1-3/h3H,1H2,2H3;3H,2H2",69.20529,67.66901,
7959,[C:1]([C:2]([C:3]([C:4](=[O:5])[N:6]([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C@:3]1([H:12])[C@@:4]([N:6]([H:14])[H:15])([H:13])[O:5]1)([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-2-3-4(5)6/h2-3H2,1H3,(H2,5,6)","InChI=1S/C4H9NO/c1-2-3-4(5)6-3/h3-4H,2,5H2,1H3/t3-,4-/m1/s1",91.45837,42.69256,
7960,[C:1]([C:2]([C:3]([C:4](=[O:5])[N:6]([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([O+:5]=[C-:4][N:6]([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-2-3-4(5)6/h2-3H2,1H3,(H2,5,6)","InChI=1S/C4H9NO/c1-2-3-6-4-5/h2-3,5H2,1H3",96.89489,53.7772,
7961,[C:1]([C:2]([C:3]([C:4](=[O:5])[N:6]([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3](/[C:4]([O:5][H:15])=[N:6]\[H:14])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-2-3-4(5)6/h2-3H2,1H3,(H2,5,6)","InChI=1S/C4H9NO/c1-2-3-4(5)6/h2-3H2,1H3,(H2,5,6)",40.17627,9.18516,ketoenol
7962,[C:1]([C:2]([C:3]([C:4](=[O:5])[N:6]([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([N:6]([H:14])[H:15])([H:10])[H:11])([H:7])([H:8])[H:9].[C:3](=[C:4]=[O:5])([H:12])[H:13],"InChI=1S/C4H9NO/c1-2-3-4(5)6/h2-3H2,1H3,(H2,5,6)","InChI=1S/C2H7N.C2H2O/c2*1-2-3/h2-3H2,1H3;1H2",90.73226,41.62363,
7963,[C:1]([C:2]([C:3]([C:4](=[O:5])[N:6]([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]([H:12])([H:13])[C:4]1([O:5][H:7])[N:6]([H:14])[H:15],"InChI=1S/C4H9NO/c1-2-3-4(5)6/h2-3H2,1H3,(H2,5,6)","InChI=1S/C4H9NO/c5-4(6)2-1-3-4/h6H,1-3,5H2",81.91159,33.29854,
7964,[C:1]([C:2]([C:3]([C:4](=[O:5])[N:6]([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](/[C:3](=[C:4](\[O:5][H:13])[N:6]([H:14])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-2-3-4(5)6/h2-3H2,1H3,(H2,5,6)","InChI=1S/C4H9NO/c1-2-3-4(5)6/h3,6H,2,5H2,1H3/b4-3-",64.59600999999999,21.42408,ketoenol
7965,[C:1]([C:2]([C:3]([C:4](=[O:5])[N:6]([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C+:3](=[C:4]([O-:5])[N:6]([H:14])[H:15])[H:12].[C:1]([C:2]([H:10])([H:11])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-2-3-4(5)6/h2-3H2,1H3,(H2,5,6)","InChI=1S/C2H3NO.C2H6/c1-2(3)4;1-2/h1H,3H2;1-2H3",90.59533,91.61816999999999,
7966,[C:1]([C:2]([C:3]([C:4](=[O:5])[N:6]([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9].[C:4](=[O:5])=[N:6][H:15],"InChI=1S/C4H9NO/c1-2-3-4(5)6/h2-3H2,1H3,(H2,5,6)","InChI=1S/C3H8.CHNO/c1-3-2;2-1-3/h3H2,1-2H3;2H",72.75144,9.82015,
7967,[C:1]([C:2]([C:3]([C:4](=[O:5])[N:6]([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([O:5][C:4](=[C:3]([H:12])[H:13])[N:6]([H:14])[H:15])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-2-3-4(5)6/h2-3H2,1H3,(H2,5,6)","InChI=1S/C4H9NO/c1-3-6-4(2)5/h2-3,5H2,1H3",82.85775,35.19379,ketoenol
7968,[C:1]([C:2]([C:3]([C:4](=[O:5])[N:6]([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C@@:3]1([H:12])/[C:4](=[N:6]/[H:14])[O:5]1)([H:10])[H:11])([H:7])([H:8])[H:9].[H:13][H:15],"InChI=1S/C4H9NO/c1-2-3-4(5)6/h2-3H2,1H3,(H2,5,6)","InChI=1S/C4H7NO.H2/c1-2-3-4(5)6-3;/h3,5H,2H2,1H3;1H/b5-4-;/t3-;/m0./s1",85.54391,62.06391,
7969,[C:1]([C:2]([C:3]([C:4](=[O:5])[N:6]([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3](=[C:4]=[O:5])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9].[N:6]([H:13])([H:14])[H:15],"InChI=1S/C4H9NO/c1-2-3-4(5)6/h2-3H2,1H3,(H2,5,6)","InChI=1S/C4H6O.H3N/c1-2-3-4-5;/h3H,2H2,1H3;1H3",66.75726999999999,34.34762,"1,3_NH3_elimination"
7970,[C:1]([C:2]([C:3]([C:4](=[O:5])[N:6]([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:13].[C:2]([C:3](=[C:4]=[O:5])[H:12])([N:6]([H:14])[H:15])([H:10])[H:11],"InChI=1S/C4H9NO/c1-2-3-4(5)6/h2-3H2,1H3,(H2,5,6)","InChI=1S/C3H5NO.CH4/c4-2-1-3-5;/h1H,2,4H2;1H4",120.4381,39.29155,
7971,[C:1]([C:2]([C:3]([C:4](=[O:5])[N:6]([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:4]1([O:5][H:10])[N:6]([H:14])[H:15])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-2-3-4(5)6/h2-3H2,1H3,(H2,5,6)","InChI=1S/C4H9NO/c1-3-2-4(3,5)6/h3,6H,2,5H2,1H3/t3-,4+/m0/s1",80.37852,36.14904,
7972,[C:1]([C:2]([C:3]([C:4](=[O:5])[N:6]([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]([H:7])[H:10])([H:8])[H:9].[C:3]([C:4](=[O:5])[N:6]([H:14])[H:15])([H:11])([H:12])[H:13],"InChI=1S/C4H9NO/c1-2-3-4(5)6/h2-3H2,1H3,(H2,5,6)","InChI=1S/C2H5NO.C2H4/c1-2(3)4;1-2/h1H3,(H2,3,4);1-2H2",106.57941000000001,22.96925,
7973,[O:1]=[C:2]([C:3]([C:4]([C:5]#[C:6][H:12])([H:10])[H:11])([H:8])[H:9])[H:7],[O:1](/[C:2](=[C:3](\[C:4]([C:5]#[C:6][H:12])([H:10])[H:11])[H:9])[H:7])[H:8],"InChI=1S/C5H6O/c1-2-3-4-5-6/h1,5H,3-4H2","InChI=1S/C5H6O/c1-2-3-4-5-6/h1,4-6H,3H2/b5-4-",69.34365,4.21689,ketoenol
7974,[O:1]=[C:2]([C:3]([C:4]([C:5]#[C:6][H:12])([H:10])[H:11])([H:8])[H:9])[H:7],[O:1]([C@:2]1([H:7])[C:3]([H:8])([H:9])[C:4]([H:11])=[C:5]=[C:6]1[H:12])[H:10],"InChI=1S/C5H6O/c1-2-3-4-5-6/h1,5H,3-4H2","InChI=1S/C5H6O/c6-5-3-1-2-4-5/h1,4-6H,3H2/t5-/m1/s1",74.01177,41.93138,
7975,[O:1]=[C:2]([C:3]([C:4]([C:5]#[C:6][H:12])([H:10])[H:11])([H:8])[H:9])[H:7],[O:1]=[C:2]([C:3]([C:4](=[C:5]=[C:6]([H:10])[H:12])[H:11])([H:8])[H:9])[H:7],"InChI=1S/C5H6O/c1-2-3-4-5-6/h1,5H,3-4H2","InChI=1S/C5H6O/c1-2-3-4-5-6/h3,5H,1,4H2",66.61676999999999,-5.12179,
7976,[O:1]=[C:2]([C:3]([C:4]([C:5]#[C:6][H:12])([H:10])[H:11])([H:8])[H:9])[H:7],[O:1]=[C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[C:5]1=[C:6]([H:8])[H:12])[H:7],"InChI=1S/C5H6O/c1-2-3-4-5-6/h1,5H,3-4H2","InChI=1S/C5H6O/c1-4-2-5(4)3-6/h3,5H,1-2H2/t5-/m1/s1",68.77316,-1.6348799999999999,
7977,[O:1]=[C:2]([C:3]([C:4]([C:5]#[C:6][H:12])([H:10])[H:11])([H:8])[H:9])[H:7],[O:1]([C:2](=[C:3]([H:8])[H:9])[H:7])[C:6](=[C:5]=[C:4]([H:10])[H:11])[H:12],"InChI=1S/C5H6O/c1-2-3-4-5-6/h1,5H,3-4H2","InChI=1S/C5H6O/c1-3-5-6-4-2/h4-5H,1-2H2",39.002959999999995,13.24045,
7978,[O:1]=[C:2]([C:3]([C:4]([C:5]#[C:6][H:12])([H:10])[H:11])([H:8])[H:9])[H:7],[O:1]([C:2](=[C:3]([H:8])[H:9])[H:7])[C:4]([C:5]#[C:6][H:12])([H:10])[H:11],"InChI=1S/C5H6O/c1-2-3-4-5-6/h1,5H,3-4H2","InChI=1S/C5H6O/c1-3-5-6-4-2/h1,4H,2,5H2",68.68393,19.25272,ketoenol
7979,[O:1]=[C:2]([C:3]([C:4]([C:5]#[C:6][H:12])([H:10])[H:11])([H:8])[H:9])[H:7],[O:1]([C:2](=[C:3]([H:8])[H:9])[H:7])[C:5]1=[C:6]([H:12])[C:4]1([H:10])[H:11],"InChI=1S/C5H6O/c1-2-3-4-5-6/h1,5H,3-4H2","InChI=1S/C5H6O/c1-2-6-5-3-4-5/h2-3H,1,4H2",70.09340999999999,32.68701,
7980,[O:1]=[C:2]([C:3]([C:4]([C:5]#[C:6][H:12])([H:10])[H:11])([H:8])[H:9])[H:7],[O:1]=[C:2]([C:3]([C:4]([C:6](=[C:5])[H:12])([H:10])[H:11])([H:8])[H:9])[H:7],"InChI=1S/C5H6O/c1-2-3-4-5-6/h1,5H,3-4H2","InChI=1S/C5H6O/c1-2-3-4-5-6/h2,5H,3-4H2",58.48546999999999,52.839780000000005,Singlet_Carbene_Intra_Disproportionation
7981,[O:1]=[C:2]([C:3]([C:4]([C:5]#[C:6][H:12])([H:10])[H:11])([H:8])[H:9])[H:7],[O:1]1[C@:2]2([H:7])[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5][C@:6]12[H:12],"InChI=1S/C5H6O/c1-2-3-4-5-6/h1,5H,3-4H2","InChI=1S/C5H6O/c1-2-4-5(3-1)6-4/h4-5H,1-2H2/t4-,5+/m1/s1",60.7662,65.52238,
7982,[O:1]=[C:2]([C:3]([C:4]([C:5]#[C:6][H:12])([H:10])[H:11])([H:8])[H:9])[H:7],[C:3]([C:4]([C:5]#[C:6][H:12])([H:10])[H:11])([H:7])([H:8])[H:9].[O+:1]#[C-:2],"InChI=1S/C5H6O/c1-2-3-4-5-6/h1,5H,3-4H2","InChI=1S/C4H6.CO/c1-3-4-2;1-2/h1H,4H2,2H3;",76.91924,-1.7532299999999998,"1,2_Insertion_CO"
7983,[C:1]([C@@:2]1([H:10])[N:3]([H:11])[C@:4]1([C:5](=[O:6])[H:13])[H:12])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C@@:5](/[C:4](=[N:3]/[H:11])[H:12])([H:13])[O:6]1)([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-3-4(2-6)5-3/h2-5H,1H3/t3-,4+/m1/s1","InChI=1S/C4H7NO/c1-3-4(2-5)6-3/h2-5H,1H3/b5-2+/t3-,4-/m0/s1",71.12278,3.1311400000000003,
7984,[C:1]([C@@:2]1([H:10])[N:3]([H:11])[C@:4]1([C:5](=[O:6])[H:13])[H:12])([H:7])([H:8])[H:9],[C:1]([C:2][C@@:4]([N:3]([H:10])[H:11])([C:5](=[O:6])[H:13])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-3-4(2-6)5-3/h2-5H,1H3/t3-,4+/m1/s1","InChI=1S/C4H7NO/c1-2-4(5)3-6/h3-4H,5H2,1H3/t4-/m1/s1",71.81159,63.08005,
7985,[C:1]([C@@:2]1([H:10])[N:3]([H:11])[C@:4]1([C:5](=[O:6])[H:13])[H:12])([H:7])([H:8])[H:9],[C:1](/[C:2](=[N:3]\[C:4]([C:5](=[O:6])[H:13])([H:11])[H:12])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-3-4(2-6)5-3/h2-5H,1H3/t3-,4+/m1/s1","InChI=1S/C4H7NO/c1-2-5-3-4-6/h2,4H,3H2,1H3/b5-2-",63.38823000000001,-7.98502,
7986,[C:1]([C@@:2]1([H:10])[N:3]([H:11])[C@:4]1([C:5](=[O:6])[H:13])[H:12])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[N:3]([H:11])/[C:4]1=[C:5](/[O:6][H:12])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-3-4(2-6)5-3/h2-5H,1H3/t3-,4+/m1/s1","InChI=1S/C4H7NO/c1-3-4(2-6)5-3/h2-3,5-6H,1H3/b4-2+/t3-/m1/s1",63.202709999999996,14.6381,ketoenol
7987,[C:1]([C@@:2]1([H:10])[N:3]([H:11])[C@:4]1([C:5](=[O:6])[H:13])[H:12])([H:7])([H:8])[H:9],[C:1]([C:2][N:3]([C:4]([C:5](=[O:6])[H:13])([H:10])[H:12])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-3-4(2-6)5-3/h2-5H,1H3/t3-,4+/m1/s1","InChI=1S/C4H7NO/c1-2-5-3-4-6/h4-5H,3H2,1H3",68.39996,33.86574,
7988,[C:1]([C@@:2]1([H:10])[N:3]([H:11])[C@:4]1([C:5](=[O:6])[H:13])[H:12])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C@@:4]2([H:12])[N:3]([H:11])[C@@:5]2([H:13])[O:6]1)([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-3-4(2-6)5-3/h2-5H,1H3/t3-,4+/m1/s1","InChI=1S/C4H7NO/c1-2-3-4(5-3)6-2/h2-5H,1H3/t2-,3+,4-/m0/s1",71.63484,27.72278,
7989,[C:1]([C@@:2]1([H:10])[N:3]([H:11])[C@:4]1([C:5](=[O:6])[H:13])[H:12])([H:7])([H:8])[H:9],[C:1]([C@@:4]([N:3]([C:2][H:10])[H:11])([C:5](=[O:6])[H:13])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-3-4(2-6)5-3/h2-5H,1H3/t3-,4+/m1/s1","InChI=1S/C4H7NO/c1-4(3-6)5-2/h2-5H,1H3/t4-/m1/s1",98.01485,33.41472,
7990,[C:1]([C@@:2]1([H:10])[N:3]([H:11])[C@:4]1([C:5](=[O:6])[H:13])[H:12])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[N:3]([H:11])[O:6][C:5]([H:13])=[C:4]1[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-3-4(2-6)5-3/h2-5H,1H3/t3-,4+/m1/s1","InChI=1S/C4H7NO/c1-4-2-3-6-5-4/h2-5H,1H3/t4-/m1/s1",48.20833,23.36591,ketoenol
7991,[C:1]([C@@:2]1([H:10])[N:3]([H:11])[C@:4]1([C:5](=[O:6])[H:13])[H:12])([H:7])([H:8])[H:9],[C-:5]#[O+:6].[C:1]([C@@:2]1([H:10])[N+:3]([H:11])([H:13])[C-:4]1[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-3-4(2-6)5-3/h2-5H,1H3/t3-,4+/m1/s1","InChI=1S/C3H7N.CO/c1-3-2-4-3;1-2/h2-3H,4H2,1H3;/t3-;/m1./s1",55.960069999999995,55.16185,
7992,[C:1]([C@@:2]1([H:10])[N:3]([H:11])[C@:4]1([C:5](=[O:6])[H:13])[H:12])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[N+:3]([H:11])([H:12])[C:4]1=[C:5]([O-:6])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-3-4(2-6)5-3/h2-5H,1H3/t3-,4+/m1/s1","InChI=1S/C4H7NO/c1-3-4(2-6)5-3/h2-3,5-6H,1H3/t3-/m1/s1",67.31473000000001,30.94057,
7993,[C:1]([C@@:2]1([H:10])[N:3]([H:11])[C@:4]1([C:5](=[O:6])[H:13])[H:12])([H:7])([H:8])[H:9],[C:1]([C:2](/[N:3]=[C:4](\[C:5](=[O:6])[H:13])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-3-4(2-6)5-3/h2-5H,1H3/t3-,4+/m1/s1","InChI=1S/C4H7NO/c1-2-5-3-4-6/h3-4H,2H2,1H3/b5-3-",63.86638000000001,-6.559419999999999,
7994,[C:1]([C@@:2]1([H:10])[N:3]([H:11])[C@:4]1([C:5](=[O:6])[H:13])[H:12])([H:7])([H:8])[H:9],[C:1]([C:2](=[C:4]([N:3]([C:5](=[O:6])[H:13])[H:11])[H:12])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-3-4(2-6)5-3/h2-5H,1H3/t3-,4+/m1/s1","InChI=1S/C4H7NO/c1-2-3-5-4-6/h2-4H,1H3,(H,5,6)",62.339,-26.45468,
7995,[C:1]([C@@:2]1([H:10])[N:3]([H:11])[C@:4]1([C:5](=[O:6])[H:13])[H:12])([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:10].[C:2]1[N:3]([H:11])[C@:4]1([C:5](=[O:6])[H:13])[H:12],"InChI=1S/C4H7NO/c1-3-4(2-6)5-3/h2-5H,1H3/t3-,4+/m1/s1",InChI=1S/C3H3NO.CH4/c5-2-3-1-4-3;/h2-4H;1H4/t3-;/m1./s1,78.89535,56.57773,
7996,[C:1]([C@@:2]1([H:10])[N:3]([H:11])[C@:4]1([C:5](=[O:6])[H:13])[H:12])([H:7])([H:8])[H:9],[C:1]([C:2]([N:3]([C+:4]=[C:5]([O-:6])[H:13])[H:11])([H:10])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-3-4(2-6)5-3/h2-5H,1H3/t3-,4+/m1/s1","InChI=1S/C4H7NO/c1-2-5-3-4-6/h4-5H,2H2,1H3",61.95811,20.69282,
7997,[C:1]([C@@:2]1([H:10])[N:3]([H:11])[C@:4]1([C:5](=[O:6])[H:13])[H:12])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[N:3]([H:11])[C@:4]1([C:5][O:6][H:13])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-3-4(2-6)5-3/h2-5H,1H3/t3-,4+/m1/s1","InChI=1S/C4H7NO/c1-3-4(2-6)5-3/h3-6H,1H3/t3-,4+/m1/s1",81.05542,54.93186,
7998,[C:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[O:4]1)([H:5])([H:6])[H:7],[C:1]([C@@:2]([C:3][H:9])([O:4][H:10])[H:8])([H:5])([H:6])[H:7],"InChI=1S/C3H6O/c1-3-2-4-3/h3H,2H2,1H3/t3-/m0/s1","InChI=1S/C3H6O/c1-3(2)4/h1,3-4H,2H3/t3-/m1/s1",68.44648000000001,67.09347,
7999,[C:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[O:4]1)([H:5])([H:6])[H:7],[C:1](=[C:2]([H:6])[H:8])([H:5])[H:7].[C:3](=[O:4])([H:9])[H:10],"InChI=1S/C3H6O/c1-3-2-4-3/h3H,2H2,1H3/t3-/m0/s1",InChI=1S/C2H4.CH2O/c2*1-2/h1-2H2;1H2,70.84438,9.05845,
8000,[C:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[O:4]1)([H:5])([H:6])[H:7],[C:1]([C:2]([O+:4]=[C-:3][H:9])([H:8])[H:10])([H:5])([H:6])[H:7],"InChI=1S/C3H6O/c1-3-2-4-3/h3H,2H2,1H3/t3-/m0/s1","InChI=1S/C3H6O/c1-3-4-2/h2H,3H2,1H3",75.48649,46.85035,
8001,[C:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[O:4]1)([H:5])([H:6])[H:7],[C:1]([C:2](=[O+:4][C-:3]([H:9])[H:10])[H:8])([H:5])([H:6])[H:7],"InChI=1S/C3H6O/c1-3-2-4-3/h3H,2H2,1H3/t3-/m0/s1","InChI=1S/C3H6O/c1-3-4-2/h3H,2H2,1H3",51.332840000000004,42.08923,
8002,[C:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[O:4]1)([H:5])([H:6])[H:7],[C:1](=[C:2]1[C:3]([H:9])([H:10])[O:4]1)([H:5])[H:7].[H:6][H:8],"InChI=1S/C3H6O/c1-3-2-4-3/h3H,2H2,1H3/t3-/m0/s1",InChI=1S/C3H4O.H2/c1-3-2-4-3;/h1-2H2;1H,100.37548000000001,34.54742,
8003,[C:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[O:4]1)([H:5])([H:6])[H:7],[C:1]([C-:2]=[O+:4][C:3]([H:8])([H:9])[H:10])([H:5])([H:6])[H:7],"InChI=1S/C3H6O/c1-3-2-4-3/h3H,2H2,1H3/t3-/m0/s1",InChI=1S/C3H6O/c1-3-4-2/h1-2H3,72.49846,40.06752,
8004,[C:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[O:4]1)([H:5])([H:6])[H:7],[C:1]([C:2][C:3]([O:4][H:8])([H:9])[H:10])([H:5])([H:6])[H:7],"InChI=1S/C3H6O/c1-3-2-4-3/h3H,2H2,1H3/t3-/m0/s1","InChI=1S/C3H6O/c1-2-3-4/h4H,3H2,1H3",66.32807,64.86803,
8005,[C:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[O:4]1)([H:5])([H:6])[H:7],[C:1]([C:2]([C:3](=[O:4])[H:10])([H:8])[H:9])([H:5])([H:6])[H:7],"InChI=1S/C3H6O/c1-3-2-4-3/h3H,2H2,1H3/t3-/m0/s1","InChI=1S/C3H6O/c1-2-3-4/h3H,2H2,1H3",51.54696,-21.98647,
8006,[C:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[O:4]1)([H:5])([H:6])[H:7],[C:1]([C:2]([C:3]([H:8])([H:9])[H:10])=[O:4])([H:5])([H:6])[H:7],"InChI=1S/C3H6O/c1-3-2-4-3/h3H,2H2,1H3/t3-/m0/s1",InChI=1S/C3H6O/c1-3(2)4/h1-2H3,58.304280000000006,-29.611990000000002,
8007,[C:1]([C:2]([C:3]([C:4]#[C:5][H:13])([H:11])[H:12])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([C:2]([C:3]([C:5](=[C:4])[H:13])([H:11])[H:12])([H:9])[H:10])([H:6])([H:7])[H:8],"InChI=1S/C5H8/c1-3-5-4-2/h1H,4-5H2,2H3","InChI=1S/C5H8/c1-3-5-4-2/h4H,3,5H2,1H3",58.25435,52.30137,Singlet_Carbene_Intra_Disproportionation
8008,[C:1]([C:2]([C:3]([C:4]#[C:5][H:13])([H:11])[H:12])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([C:2](/[C:3](=[C:4](/[C:5][H:13])[H:12])[H:11])([H:9])[H:10])([H:6])([H:7])[H:8],"InChI=1S/C5H8/c1-3-5-4-2/h1H,4-5H2,2H3","InChI=1S/C5H8/c1-3-5-4-2/h1,3,5H,4H2,2H3/b5-3+",66.89881,57.6684,
8009,[C:1]([C:2]([C:3]([C:4]#[C:5][H:13])([H:11])[H:12])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([C@@:2]1([H:9])[C:3]([H:11])([H:12])[C:4]1=[C:5]([H:10])[H:13])([H:6])([H:7])[H:8],"InChI=1S/C5H8/c1-3-5-4-2/h1H,4-5H2,2H3","InChI=1S/C5H8/c1-4-3-5(4)2/h5H,1,3H2,2H3/t5-/m0/s1",75.38778,0.0272,
8010,[C:1]([C:2]([C:3]([C:4]#[C:5][H:13])([H:11])[H:12])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1](=[C:2]([H:9])[H:10])([H:6])[H:8].[C:3](=[C:4]=[C:5]([H:7])[H:13])([H:11])[H:12],"InChI=1S/C5H8/c1-3-5-4-2/h1H,4-5H2,2H3",InChI=1S/C3H4.C2H4/c1-3-2;1-2/h1-2H2;1-2H2,42.47804,18.59668,Retroene
8011,[C:1]([C:2]([C:3]([C:4]#[C:5][H:13])([H:11])[H:12])([H:9])[H:10])([H:6])([H:7])[H:8],[C:1]([C:2]([C:3](=[C:4]=[C:5]([H:12])[H:13])[H:11])([H:9])[H:10])([H:6])([H:7])[H:8],"InChI=1S/C5H8/c1-3-5-4-2/h1H,4-5H2,2H3","InChI=1S/C5H8/c1-3-5-4-2/h5H,1,4H2,2H3",69.5698,-5.86265,
8012,[C:1]1([H:7])([H:8])[O:2][C:3]([H:9])([H:10])[C@@:4]2([H:11])[O:5][C@@:6]12[H:12],[C-:1]1=[O+:2][C:3]([H:9])([H:10])[C@@:4]2([H:11])[O:5][C@@:6]12[H:12].[H:7][H:8],"InChI=1S/C4H6O2/c1-3-4(6-3)2-5-1/h3-4H,1-2H2/t3-,4+","InChI=1S/C4H4O2.H2/c1-3-4(6-3)2-5-1;/h3-4H,1H2;1H/t3-,4+;/m1./s1",73.56926999999999,69.22979000000001,
8013,[C:1]1([H:7])([H:8])[O:2][C:3]([H:9])([H:10])[C@@:4]2([H:11])[O:5][C@@:6]12[H:12],[C:1]([O:2][C:3]([C:4][H:11])([H:9])[H:10])([C:6](=[O:5])[H:12])([H:7])[H:8],"InChI=1S/C4H6O2/c1-3-4(6-3)2-5-1/h3-4H,1-2H2/t3-,4+","InChI=1S/C4H6O2/c1-2-6-4-3-5/h1,3H,2,4H2",77.12949,80.23722,
8014,[C:1]1([H:7])([H:8])[O:2][C:3]([H:9])([H:10])[C@@:4]2([H:11])[O:5][C@@:6]12[H:12],[C:1]1([H:7])([H:8])[O:2][C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[O+:5]=[C-:6]1,"InChI=1S/C4H6O2/c1-3-4(6-3)2-5-1/h3-4H,1-2H2/t3-,4+",InChI=1S/C4H6O2/c1-2-6-4-3-5-1/h1-3H2,70.4255,38.19644,
8015,[C:1]1([H:7])([H:8])[O:2][C:3]([H:9])([H:10])[C@@:4]2([H:11])[O:5][C@@:6]12[H:12],[C:1]1([H:7])([H:8])[O:2][C:3]([H:9])([H:10])[O:5][C@@:6]1([C:4][H:11])[H:12],"InChI=1S/C4H6O2/c1-3-4(6-3)2-5-1/h3-4H,1-2H2/t3-,4+","InChI=1S/C4H6O2/c1-4-2-5-3-6-4/h1,4H,2-3H2/t4-/m1/s1",94.26058,75.60036,
8016,[C:1]1([H:7])([H:8])[O:2][C:3]([H:9])([H:10])[C@@:4]2([H:11])[O:5][C@@:6]12[H:12],[C:1]1([H:7])([H:8])[O:2][C:3]([H:9])([H:10])[C:4][C@:6]1([O:5][H:11])[H:12],"InChI=1S/C4H6O2/c1-3-4(6-3)2-5-1/h3-4H,1-2H2/t3-,4+","InChI=1S/C4H6O2/c5-4-1-2-6-3-4/h4-5H,2-3H2/t4-/m1/s1",61.74867,57.514540000000004,
8017,[C:1]1([H:7])([H:8])[O:2][C:3]([H:9])([H:10])[C@@:4]2([H:11])[O:5][C@@:6]12[H:12],[C:1]([O:2][C:3](=[C:4]([H:9])[H:11])[H:10])([C:6](=[O:5])[H:12])([H:7])[H:8],"InChI=1S/C4H6O2/c1-3-4(6-3)2-5-1/h3-4H,1-2H2/t3-,4+","InChI=1S/C4H6O2/c1-2-6-4-3-5/h2-3H,1,4H2",51.76965,-7.83407,
8018,[C:1]1([H:6])([H:7])[C:2]([H:8])([H:9])[N:3]=[C:4]([H:10])[O:5]1,[C:1]([C:2](=[N+:3]=[C-:4][H:10])[H:8])([O:5][H:9])([H:6])[H:7],"InChI=1S/C3H5NO/c1-2-5-3-4-1/h3H,1-2H2","InChI=1S/C3H5NO/c1-4-2-3-5/h1-2,5H,3H2",83.51366999999999,44.57846,
8019,[C:1]1([H:6])([H:7])[C:2]([H:8])([H:9])[N:3]=[C:4]([H:10])[O:5]1,[C:1]([C:2]([N+:3]#[C-:4])([H:8])[H:9])([O:5][H:10])([H:6])[H:7],"InChI=1S/C3H5NO/c1-2-5-3-4-1/h3H,1-2H2","InChI=1S/C3H5NO/c1-4-2-3-5/h5H,2-3H2",61.44633,21.869529999999997,
8020,[C:1]1([H:6])([H:7])[C:2]([H:8])([H:9])[N:3]=[C:4]([H:10])[O:5]1,[C:1]1([H:6])([H:7])[C:2]([H:8])([H:9])[N:3]([H:10])[C-:4]=[O+:5]1,"InChI=1S/C3H5NO/c1-2-5-3-4-1/h3H,1-2H2","InChI=1S/C3H5NO/c1-2-5-3-4-1/h4H,1-2H2",66.066,28.442190000000004,
8021,[C:1]1([H:6])([H:7])[C:2]([H:8])([H:9])[N:3]=[C:4]([H:10])[O:5]1,[C:1](=[C:2]([H:8])[H:9])([H:6])[H:7].[N:3](=[C:4]=[O:5])[H:10],"InChI=1S/C3H5NO/c1-2-5-3-4-1/h3H,1-2H2",InChI=1S/C2H4.CHNO/c1-2;2-1-3/h1-2H2;2H,58.310140000000004,-1.53201,
8022,[C:1]1([H:6])([H:7])[C:2]([H:8])([H:9])[N:3]=[C:4]([H:10])[O:5]1,[C:1]1([H:6])([H:7])[C:2]([H:8])([H:9])[N:3]1[C:4](=[O:5])[H:10],"InChI=1S/C3H5NO/c1-2-5-3-4-1/h3H,1-2H2","InChI=1S/C3H5NO/c5-3-4-1-2-4/h3H,1-2H2",46.867129999999996,15.13362,ketoenol
8023,[C:1]1([H:6])([H:7])[C:2]([H:8])([H:9])[N:3]=[C:4]([H:10])[O:5]1,[C:1](=[O:5])([H:6])[H:7].[C:2](=[N+:3]=[C-:4][H:10])([H:8])[H:9],"InChI=1S/C3H5NO/c1-2-5-3-4-1/h3H,1-2H2","InChI=1S/C2H3N.CH2O/c1-3-2;1-2/h1H,2H2;1H2",59.03955,61.500640000000004,
8024,[C:1]1([H:6])([H:7])[C:2]([H:8])([H:9])[N:3]=[C:4]([H:10])[O:5]1,[C:1](/[C:2](=[N:3]\[C:4](=[O:5])[H:10])[H:9])([H:6])([H:7])[H:8],"InChI=1S/C3H5NO/c1-2-5-3-4-1/h3H,1-2H2","InChI=1S/C3H5NO/c1-2-4-3-5/h2-3H,1H3/b4-2-",55.11798,-2.44988,
8025,[C:1]1([H:6])([H:7])[C:2]([H:8])([H:9])[N:3]=[C:4]([H:10])[O:5]1,[C:1]1([H:6])([H:7])[C:2]([H:8])=[N:3][C:4]([H:9])([H:10])[O:5]1,"InChI=1S/C3H5NO/c1-2-5-3-4-1/h3H,1-2H2","InChI=1S/C3H5NO/c1-2-5-3-4-1/h1H,2-3H2",104.5946,8.332089999999999,
8026,[C:1]1([H:6])([H:7])[C:2]([H:8])([H:9])[N:3]=[C:4]([H:10])[O:5]1,[C-:1]1=[O+:5][C:4]([H:10])=[N:3][C:2]1([H:8])[H:9].[H:6][H:7],"InChI=1S/C3H5NO/c1-2-5-3-4-1/h3H,1-2H2","InChI=1S/C3H3NO.H2/c1-2-5-3-4-1;/h3H,1H2;1H",79.57223,70.46512,
8027,[C:1]1([H:6])([H:7])[C:2]([H:8])([H:9])[N:3]=[C:4]([H:10])[O:5]1,[C:1](=[O:5])([H:6])[H:7].[C:2]1([H:8])([H:9])[N:3]=[C:4]1[H:10],"InChI=1S/C3H5NO/c1-2-5-3-4-1/h3H,1-2H2","InChI=1S/C2H3N.CH2O/c1-2-3-1;1-2/h1H,2H2;1H2",97.51276,57.3272,
8028,[C:1]1([H:6])([H:7])[C:2]([H:8])([H:9])[N:3]=[C:4]([H:10])[O:5]1,[C-:1](=[O+:5]/[C:4](=[N:3]\[C:2]([H:6])([H:8])[H:9])[H:10])[H:7],"InChI=1S/C3H5NO/c1-2-5-3-4-1/h3H,1-2H2","InChI=1S/C3H5NO/c1-4-3-5-2/h2-3H,1H3/b4-3-",75.84885,76.68491,
8029,[C:1]1([H:6])([H:7])[C:2]([H:8])([H:9])[N:3]=[C:4]([H:10])[O:5]1,[C-:1]1([H:7])[C:2]([H:8])([H:9])[N:3]([H:6])[C:4]([H:10])=[O+:5]1,"InChI=1S/C3H5NO/c1-2-5-3-4-1/h3H,1-2H2","InChI=1S/C3H5NO/c1-2-5-3-4-1/h2-4H,1H2",76.60252,62.3436,
8030,[C:1]1([H:6])([H:7])[C:2]([H:8])([H:9])[N:3]=[C:4]([H:10])[O:5]1,[C-:1]([O+:5]=[C:4]([N:3]=[C:2]([H:8])[H:9])[H:10])([H:6])[H:7],"InChI=1S/C3H5NO/c1-2-5-3-4-1/h3H,1-2H2","InChI=1S/C3H5NO/c1-4-3-5-2/h3H,1-2H2",67.11587,58.8511,
8031,[C:1]1([H:6])([H:7])[C:2]([H:8])([H:9])[N:3]=[C:4]([H:10])[O:5]1,[H:7][H:9].[c:1]1([H:6])[c:2]([H:8])[n:3][c:4]([H:10])[o:5]1,"InChI=1S/C3H5NO/c1-2-5-3-4-1/h3H,1-2H2",InChI=1S/C3H3NO.H2/c1-2-5-3-4-1;/h1-3H;1H,75.9254,13.48665,
8032,[C:1]1([H:6])([H:7])[C:2]([H:8])([H:9])[N:3]=[C:4]([H:10])[O:5]1,[C:1]1([H:6])([H:7])[C-:2]([H:8])[N:3]([H:9])[C:4]([H:10])=[O+:5]1,"InChI=1S/C3H5NO/c1-2-5-3-4-1/h3H,1-2H2","InChI=1S/C3H5NO/c1-2-5-3-4-1/h1,3-4H,2H2",75.90445,50.78468,
8033,[C:1]1([H:6])([H:7])[C:2]([H:8])([H:9])[N:3]=[C:4]([H:10])[O:5]1,[C:1]1([H:6])([H:7])[C-:2]=[N+:3]=[C:4]([H:10])[O:5]1.[H:8][H:9],"InChI=1S/C3H5NO/c1-2-5-3-4-1/h3H,1-2H2","InChI=1S/C3H3NO.H2/c1-2-5-3-4-1;/h3H,2H2;1H",81.44283,79.29656,
8034,[C:1]1([H:6])([H:7])[C:2]([H:8])([H:9])[N:3]=[C:4]([H:10])[O:5]1,[C:1]([C:2]([H:7])([H:8])[H:9])(=[O:5])[H:6].[N:3]#[C:4][H:10],"InChI=1S/C3H5NO/c1-2-5-3-4-1/h3H,1-2H2","InChI=1S/C2H4O.CHN/c1-2-3;1-2/h2H,1H3;1H",71.31557,11.65987,
8035,[N:1]#[C:2][C:3]1([H:7])[C:4]([H:8])([H:9])[O:5][C:6]1([H:10])[H:11],[N:1](=[C:2]=[C:3]1[C:4]([H:8])([H:9])[O:5][C:6]1([H:10])[H:11])[H:7],"InChI=1S/C4H5NO/c5-1-4-2-6-3-4/h4H,2-3H2","InChI=1S/C4H5NO/c5-1-4-2-6-3-4/h5H,2-3H2",83.22775,20.43916,
8036,[N:1]#[C:2][C:3]1([H:7])[C:4]([H:8])([H:9])[O:5][C:6]1([H:10])[H:11],[N:1]1([H:10])[C:2][C@@:3]2([H:7])[C:4]([H:8])([H:9])[O:5][C@@:6]12[H:11],"InChI=1S/C4H5NO/c5-1-4-2-6-3-4/h4H,2-3H2","InChI=1S/C4H5NO/c1-3-2-6-4(3)5-1/h3-5H,2H2/t3-,4+/m0/s1",104.66789,64.3753,
8037,[N:1]#[C:2][C:3]1([H:7])[C:4]([H:8])([H:9])[O:5][C:6]1([H:10])[H:11],[N:1]#[C:2][C:3]([C:6]([O+:5]=[C-:4][H:8])([H:10])[H:11])([H:7])[H:9],"InChI=1S/C4H5NO/c5-1-4-2-6-3-4/h4H,2-3H2","InChI=1S/C4H5NO/c1-6-4-2-3-5/h1H,2,4H2",76.28413,48.5038,
8038,[N:1]#[C:2][C:3]1([H:7])[C:4]([H:8])([H:9])[O:5][C:6]1([H:10])[H:11],[N:1]#[C:2][C:3](=[C:4]([H:8])[H:9])[H:7].[O:5]=[C:6]([H:10])[H:11],"InChI=1S/C4H5NO/c5-1-4-2-6-3-4/h4H,2-3H2","InChI=1S/C3H3N.CH2O/c1-2-3-4;1-2/h2H,1H2;1H2",43.75305,2.74304,2+2_cycloaddition
8039,[N:1]#[C:2][C:3]1([H:7])[C:4]([H:8])([H:9])[O:5][C:6]1([H:10])[H:11],[N:1]#[C:2][C@@:3]([C:4]([O:5][H:11])([H:8])[H:9])([C:6][H:10])[H:7],"InChI=1S/C4H5NO/c5-1-4-2-6-3-4/h4H,2-3H2","InChI=1S/C4H5NO/c1-4(2-5)3-6/h1,4,6H,3H2/t4-/m0/s1",73.18713000000001,71.80723,
8040,[N:1]#[C:2][C:3]1([H:7])[C:4]([H:8])([H:9])[O:5][C:6]1([H:10])[H:11],[N+:1](#[C-:2])[C:3]1([H:7])[C:4]([H:8])([H:9])[O:5][C:6]1([H:10])[H:11],"InChI=1S/C4H5NO/c5-1-4-2-6-3-4/h4H,2-3H2","InChI=1S/C4H5NO/c1-5-4-2-6-3-4/h4H,2-3H2",59.56214,25.13355,
8041,[N:1]#[C:2][C:3]1([H:7])[C:4]([H:8])([H:9])[O:5][C:6]1([H:10])[H:11],[H:10][H:11].[N:1]#[C:2][C@@:3]1([H:7])[C:4]([H:8])([H:9])[O+:5]=[C-:6]1,"InChI=1S/C4H5NO/c5-1-4-2-6-3-4/h4H,2-3H2","InChI=1S/C4H3NO.H2/c5-1-4-2-6-3-4;/h4H,2H2;1H/t4-;/m0./s1",77.78950999999999,71.09676999999999,
8042,[N:1]#[C:2][C:3]1([H:7])[C:4]([H:8])([H:9])[O:5][C:6]1([H:10])[H:11],[N:1]#[C:2][C:3]([C:4]([O:5][H:7])([H:8])[H:9])=[C:6]([H:10])[H:11],"InChI=1S/C4H5NO/c5-1-4-2-6-3-4/h4H,2-3H2","InChI=1S/C4H5NO/c1-4(2-5)3-6/h6H,1,3H2",72.02257,-16.1356,
8043,[N:1]#[C:2][C:3]1([H:7])[C:4]([H:8])([H:9])[O:5][C:6]1([H:10])[H:11],[H:7][H:11].[N:1]#[C:2][C:3]1=[C:6]([H:10])[O:5][C:4]1([H:8])[H:9],"InChI=1S/C4H5NO/c5-1-4-2-6-3-4/h4H,2-3H2","InChI=1S/C4H3NO.H2/c5-1-4-2-6-3-4;/h2H,3H2;1H",97.81155,25.21294,
8044,[N:1]#[C:2][C:3]1([H:7])[C:4]([H:8])([H:9])[O:5][C:6]1([H:10])[H:11],[H:8][H:10].[N:1]#[C:2][C:3]1([H:7])[C-:4]([H:9])[O+:5]=[C:6]1[H:11],"InChI=1S/C4H5NO/c5-1-4-2-6-3-4/h4H,2-3H2",InChI=1S/C4H3NO.H2/c5-1-4-2-6-3-4;/h2-4H;1H,78.0504,80.56716,
8045,[N:1]#[C:2][C:3]1([H:7])[C:4]([H:8])([H:9])[O:5][C:6]1([H:10])[H:11],[N-:1]=[C:2]=[C+:3][C:6]([O:5][C:4]([H:7])([H:8])[H:9])([H:10])[H:11],"InChI=1S/C4H5NO/c5-1-4-2-6-3-4/h4H,2-3H2","InChI=1S/C4H5NO/c1-6-4-2-3-5/h4H2,1H3",69.15049,58.66721999999999,
8046,[N:1]#[C:2][C:3]1([H:7])[C:4]([H:8])([H:9])[O:5][C:6]1([H:10])[H:11],[N:1](=[C:2]1/[C@@:3]2([H:7])[C:4]([H:8])([H:9])[O:5][C@@:6]12[H:11])\[H:10],"InChI=1S/C4H5NO/c5-1-4-2-6-3-4/h4H,2-3H2","InChI=1S/C4H5NO/c5-3-2-1-6-4(2)3/h2,4-5H,1H2/b5-3-/t2-,4-/m1/s1",109.78927,38.05754,
8047,[O:1]([C:2]([C:3]1([H:10])[C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14])([H:8])[H:9])[H:7],[H:13][H:14].[O:1]([C:2]([C@@:3]1([H:10])[C:4]([H:11])([H:12])[O+:5]=[C-:6]1)([H:8])[H:9])[H:7],"InChI=1S/C4H8O2/c5-1-4-2-6-3-4/h4-5H,1-3H2","InChI=1S/C4H6O2.H2/c5-1-4-2-6-3-4;/h4-5H,1-2H2;1H/t4-;/m0./s1",75.99273000000001,69.3247,
8048,[O:1]([C:2]([C:3]1([H:10])[C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14])([H:8])[H:9])[H:7],[O:1]([C:2]([C:3]([C:6]([O+:5]=[C-:4][H:11])([H:13])[H:14])([H:10])[H:12])([H:8])[H:9])[H:7],"InChI=1S/C4H8O2/c5-1-4-2-6-3-4/h4-5H,1-3H2","InChI=1S/C4H8O2/c1-6-4-2-3-5/h1,5H,2-4H2",77.12425,45.83015,
8049,[O:1]([C:2]([C:3]1([H:10])[C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14])([H:8])[H:9])[H:7],[H:10][H:13].[O:1]([C:2]([C:3]1=[C:6]([H:14])[O:5][C:4]1([H:11])[H:12])([H:8])[H:9])[H:7],"InChI=1S/C4H8O2/c5-1-4-2-6-3-4/h4-5H,1-3H2","InChI=1S/C4H6O2.H2/c5-1-4-2-6-3-4;/h2,5H,1,3H2;1H",106.86775,31.7546,
8050,[O:1]([C:2]([C:3]1([H:10])[C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14])([H:8])[H:9])[H:7],[C:3]1([H:8])([H:10])[C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14].[O:1]([C:2][H:9])[H:7],"InChI=1S/C4H8O2/c5-1-4-2-6-3-4/h4-5H,1-3H2",InChI=1S/C3H6O.CH2O/c1-2-4-3-1;1-2/h1-3H2;1-2H,72.5756,72.24714,
8051,[O:1]([C:2]([C:3]1([H:10])[C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14])([H:8])[H:9])[H:7],[C:2]1([H:8])([H:9])[C@@:3]2([H:10])[C@:4]1([H:12])[O:5][C:6]2([H:13])[H:14].[O:1]([H:7])[H:11],"InChI=1S/C4H8O2/c5-1-4-2-6-3-4/h4-5H,1-3H2","InChI=1S/C4H6O.H2O/c1-3-2-5-4(1)3;/h3-4H,1-2H2;1H2/t3-,4-;/m1./s1",88.69648000000001,21.41486,
8052,[O:1]([C:2]([C:3]1([H:10])[C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14])([H:8])[H:9])[H:7],[H:8][H:13].[O:1]([C@:2]1([H:9])[C@@:3]2([H:10])[C:4]([H:11])([H:12])[O:5][C@@:6]12[H:14])[H:7],"InChI=1S/C4H8O2/c5-1-4-2-6-3-4/h4-5H,1-3H2","InChI=1S/C4H6O2.H2/c5-3-2-1-6-4(2)3;/h2-5H,1H2;1H/t2-,3-,4-;/m1./s1",88.663,40.699870000000004,
8053,[O:1]([C:2]([C:3]1([H:10])[C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14])([H:8])[H:9])[H:7],[C:3](=[C:4]([H:11])[H:12])([C:6]([O:5][H:7])([H:13])[H:14])[H:10].[O:1]=[C:2]([H:8])[H:9],"InChI=1S/C4H8O2/c5-1-4-2-6-3-4/h4-5H,1-3H2","InChI=1S/C3H6O.CH2O/c1-2-3-4;1-2/h2,4H,1,3H2;1H2",54.578359999999996,3.7132099999999997,2+2_cycloaddition
8054,[O:1]([C:2]([C:3]1([H:10])[C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14])([H:8])[H:9])[H:7],[O:1]([C@:3]1([H:10])[C:2]([H:8])([H:9])[C:6]([H:13])([H:14])[O:5][C:4]1([H:11])[H:12])[H:7],"InChI=1S/C4H8O2/c5-1-4-2-6-3-4/h4-5H,1-3H2","InChI=1S/C4H8O2/c5-4-1-2-6-3-4/h4-5H,1-3H2/t4-/m1/s1",78.60638,-18.812379999999997,
8055,[O:1]([C:2]([C:3]1([H:10])[C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14])([H:8])[H:9])[H:7],[C:4](=[O:5])([H:11])[H:12].[O:1](/[C:2](=[C:3](/[C:6]([H:8])([H:13])[H:14])[H:10])[H:9])[H:7],"InChI=1S/C4H8O2/c5-1-4-2-6-3-4/h4-5H,1-3H2","InChI=1S/C3H6O.CH2O/c1-2-3-4;1-2/h2-4H,1H3;1H2/b3-2+;",71.9281,-2.03567,
8056,[O:1]([C:2]([C:3]1([H:10])[C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14])([H:8])[H:9])[H:7],[O:1]([C:2]([C:3]([C:4]([O:5][H:14])([H:11])[H:12])([C:6][H:13])[H:10])([H:8])[H:9])[H:7],"InChI=1S/C4H8O2/c5-1-4-2-6-3-4/h4-5H,1-3H2","InChI=1S/C4H8O2/c1-4(2-5)3-6/h1,4-6H,2-3H2",73.07269000000001,71.85101,
8057,[O:1]([C:2]([C:3]1([H:10])[C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14])([H:8])[H:9])[H:7],[O:1]([C:2]([C:3]([C:4]([O:5][H:10])([H:11])[H:12])=[C:6]([H:13])[H:14])([H:8])[H:9])[H:7],"InChI=1S/C4H8O2/c5-1-4-2-6-3-4/h4-5H,1-3H2","InChI=1S/C4H8O2/c1-4(2-5)3-6/h5-6H,1-3H2",84.07741999999999,-12.91563,
8058,[O:1]([C:2]([C:3]1([H:10])[C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14])([H:8])[H:9])[H:7],[O:1]([C:2]([C:3][C:6]([O:5][C:4]([H:10])([H:11])[H:12])([H:13])[H:14])([H:8])[H:9])[H:7],"InChI=1S/C4H8O2/c5-1-4-2-6-3-4/h4-5H,1-3H2","InChI=1S/C4H8O2/c1-6-4-2-3-5/h5H,3-4H2,1H3",76.39631,71.82425,
8059,[O:1]([C:2]([C:3]1([H:10])[C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14])([H:8])[H:9])[H:7],[H:7][H:8].[O:1]=[C:2]([C:3]1([H:10])[C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14])[H:9],"InChI=1S/C4H8O2/c5-1-4-2-6-3-4/h4-5H,1-3H2","InChI=1S/C4H6O2.H2/c5-1-4-2-6-3-4;/h1,4H,2-3H2;1H",79.71221,17.85285,
8060,[N:1]([c:2]1[c:3]([H:9])[c:4]([H:10])[n:5][o:6]1)([H:7])[H:8],[N:1]([C:2]([C:3]([C:4]#[N:5])([H:9])[H:10])=[O:6])([H:7])[H:8],"InChI=1S/C3H4N2O/c4-3-1-2-5-6-3/h1-2H,4H2","InChI=1S/C3H4N2O/c4-2-1-3(5)6/h1H2,(H2,5,6)",42.808890000000005,-37.18486,
8061,[N:1]([c:2]1[c:3]([H:9])[c:4]([H:10])[n:5][o:6]1)([H:7])[H:8],[N:1](=[c:2]1\[c:3]([H:9])[c:4]([H:10])[n:5]([H:7])[o:6]1)\[H:8],"InChI=1S/C3H4N2O/c4-3-1-2-5-6-3/h1-2H,4H2","InChI=1S/C3H4N2O/c4-3-1-2-5-6-3/h1-2,4-5H/b4-3+",100.0441,18.51904,
8062,[N:1]([c:2]1[c:3]([H:9])[c:4]([H:10])[n:5][o:6]1)([H:7])[H:8],[N:1](=[C:2]1/[C:3]([H:8])([H:9])[C:4]([H:10])=[N:5][O:6]1)\[H:7],"InChI=1S/C3H4N2O/c4-3-1-2-5-6-3/h1-2H,4H2","InChI=1S/C3H4N2O/c4-3-1-2-5-6-3/h2,4H,1H2/b4-3-",70.41693000000001,9.74067,
8063,[N:1]([c:2]1[c:3]([H:9])[c:4]([H:10])[n:5][o:6]1)([H:7])[H:8],[N:1]([C:2]([C:3](=[C:4]=[N:5][H:10])[H:9])=[O:6])([H:7])[H:8],"InChI=1S/C3H4N2O/c4-3-1-2-5-6-3/h1-2H,4H2","InChI=1S/C3H4N2O/c4-2-1-3(5)6/h1,4H,(H2,5,6)",42.430679999999995,-21.236629999999998,
8064,[N:1]([c:2]1[c:3]([H:9])[c:4]([H:10])[n:5][o:6]1)([H:7])[H:8],[N:1]([C:2](=[C:3]=[C:4]([N:5]=[O:6])[H:10])[H:9])([H:7])[H:8],"InChI=1S/C3H4N2O/c4-3-1-2-5-6-3/h1-2H,4H2","InChI=1S/C3H4N2O/c4-2-1-3-5-6/h2-3H,4H2",80.47685,61.44135,
8065,[N:1]([c:2]1[c:3]([H:9])[c:4]([H:10])[n:5][o:6]1)([H:7])[H:8],[C:4](#[N+:5][O-:6])[H:10].[N:1]([C:2]#[C:3][H:9])([H:7])[H:8],"InChI=1S/C3H4N2O/c4-3-1-2-5-6-3/h1-2H,4H2","InChI=1S/C2H3N.CHNO/c2*1-2-3/h1H,3H2;1H",81.74093,79.93032,
8066,[N:1]([c:2]1[c:3]([H:9])[c:4]([H:10])[n:5][o:6]1)([H:7])[H:8],[N:1]([C:2]1=[C:3]([H:9])[C@@:4]1([N:5]=[O:6])[H:10])([H:7])[H:8],"InChI=1S/C3H4N2O/c4-3-1-2-5-6-3/h1-2H,4H2","InChI=1S/C3H4N2O/c4-2-1-3(2)5-6/h1,3H,4H2/t3-/m0/s1",82.95554,74.3401,ketoenol
8067,[N:1]([c:2]1[c:3]([H:9])[c:4]([H:10])[n:5][o:6]1)([H:7])[H:8],[N:1]([C:2]([C@:3]1([H:9])[C:4]([H:10])=[N:5]1)=[O:6])([H:7])[H:8],"InChI=1S/C3H4N2O/c4-3-1-2-5-6-3/h1-2H,4H2","InChI=1S/C3H4N2O/c4-3(6)2-1-5-2/h1-2H,(H2,4,6)/t2-/m0/s1",44.01312,3.91267,ketoenol
8068,[O:1]([C:2]([C:3]1([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:8])[H:9])[H:7],[C:3]1([H:8])([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16].[O:1]([C:2][H:9])[H:7],"InChI=1S/C5H10O/c6-4-5-2-1-3-5/h5-6H,1-4H2",InChI=1S/C4H8.CH2O/c1-2-4-3-1;1-2/h1-4H2;1-2H,74.35356999999999,77.26635,
8069,[O:1]([C:2]([C:3]1([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:8])[H:9])[H:7],[H:8][H:16].[O:1]([C+:2]([C@@:3]1([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C-:6]1[H:15])[H:9])[H:7],"InChI=1S/C5H10O/c6-4-5-2-1-3-5/h5-6H,1-4H2","InChI=1S/C5H8O.H2/c6-4-5-2-1-3-5;/h2,4-6H,1,3H2;1H/t5-;/m1./s1",88.29498000000001,94.7107,
8070,[O:1]([C:2]([C:3]1([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:8])[H:9])[H:7],[O:1](/[C:2](=[C:3](/[C:4]([C:5]([C:6]([H:8])([H:15])[H:16])([H:13])[H:14])([H:11])[H:12])[H:10])[H:9])[H:7],"InChI=1S/C5H10O/c6-4-5-2-1-3-5/h5-6H,1-4H2","InChI=1S/C5H10O/c1-2-3-4-5-6/h4-6H,2-3H2,1H3/b5-4+",65.30509,-10.81418,
8071,[O:1]([C:2]([C:3]1([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:8])[H:9])[H:7],[O:1]([C:2]([C@@:3]([C:4]([H:11])([H:12])[H:13])([C:6]([C:5][H:14])([H:15])[H:16])[H:10])([H:8])[H:9])[H:7],"InChI=1S/C5H10O/c6-4-5-2-1-3-5/h5-6H,1-4H2","InChI=1S/C5H10O/c1-3-5(2)4-6/h1,5-6H,3-4H2,2H3/t5-/m0/s1",78.10875,79.92498,
8072,[O:1]([C:2]([C:3]1([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:8])[H:9])[H:7],[O:1]([C:2]([C@@:3]([C:4][H:12])([C:6]([C:5]([H:11])([H:13])[H:14])([H:15])[H:16])[H:10])([H:8])[H:9])[H:7],"InChI=1S/C5H10O/c6-4-5-2-1-3-5/h5-6H,1-4H2","InChI=1S/C5H10O/c1-3-5(2)4-6/h2,5-6H,3-4H2,1H3/t5-/m0/s1",78.837,79.35351,
8073,[O:1]([C:2]([C:3]1([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:8])[H:9])[H:7],[O:1]([C:3]1([H:10])[C:2]([H:8])([H:9])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])[H:7],"InChI=1S/C5H10O/c6-4-5-2-1-3-5/h5-6H,1-4H2","InChI=1S/C5H10O/c6-5-3-1-2-4-5/h5-6H,1-4H2",76.77348,-18.854979999999998,
8074,[O:1]([C:2]([C:3]1([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:8])[H:9])[H:7],[C:5](=[C:6]([H:15])[H:16])([H:13])[H:14].[O:1]([C:2]([C:3](=[C:4]([H:11])[H:12])[H:10])([H:8])[H:9])[H:7],"InChI=1S/C5H10O/c6-4-5-2-1-3-5/h5-6H,1-4H2","InChI=1S/C3H6O.C2H4/c1-2-3-4;1-2/h2,4H,1,3H2;1-2H2",83.01561,18.68714,
8075,[O:1]([C:2]([C:3]1([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:8])[H:9])[H:7],[C:2]([H:8])[H:9].[O:1]([C:3]1([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])[H:7],"InChI=1S/C5H10O/c6-4-5-2-1-3-5/h5-6H,1-4H2","InChI=1S/C4H8O.CH2/c5-4-2-1-3-4;/h4-5H,1-3H2;1H2",109.53849,114.71678,
8076,[O:1]([C:2]([C:3]1([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:8])[H:9])[H:7],[H:8][H:12].[O:1]([C@:2]1([H:9])[C@:3]2([H:10])[C@@:4]1([H:11])[C:5]([H:13])([H:14])[C:6]2([H:15])[H:16])[H:7],"InChI=1S/C5H10O/c6-4-5-2-1-3-5/h5-6H,1-4H2","InChI=1S/C5H8O.H2/c6-5-3-1-2-4(3)5;/h3-6H,1-2H2;1H/t3-,4+,5+;",90.53752,38.642379999999996,
8077,[O:1]([C:2]([C:3]1([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:8])[H:9])[H:7],[H:7][H:10].[O:1]=[C:2]([C:3]1([H:9])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])[H:8],"InChI=1S/C5H10O/c6-4-5-2-1-3-5/h5-6H,1-4H2","InChI=1S/C5H8O.H2/c6-4-5-2-1-3-5;/h4-5H,1-3H2;1H",75.23664000000001,17.55857,
8078,[O:1]([C:2]([C:3]1([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:8])[H:9])[H:7],[C:3]1([H:10])=[C:6]([H:16])[C:5]([H:13])([H:14])[C:4]1([H:11])[H:12].[H:7][H:15].[O:1]=[C:2]([H:8])[H:9],"InChI=1S/C5H10O/c6-4-5-2-1-3-5/h5-6H,1-4H2","InChI=1S/C4H6.CH2O.H2/c1-2-4-3-1;1-2;/h1-2H,3-4H2;1H2;1H",67.82555,50.86692,
8079,[O:1]([C:2]([C:3]1([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:8])[H:9])[H:7],[O:1]([C:6]([C:5]([C:4]([C:3](=[C:2]([H:8])[H:9])[H:10])([H:11])[H:12])([H:13])[H:14])([H:15])[H:16])[H:7],"InChI=1S/C5H10O/c6-4-5-2-1-3-5/h5-6H,1-4H2","InChI=1S/C5H10O/c1-2-3-4-5-6/h2,6H,1,3-5H2",80.563,-2.88366,
8080,[O:1]([C:2]([C:3]1([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:8])[H:9])[H:7],[C:5](=[C:6]([H:15])[H:16])([H:13])[H:14].[O:1](/[C:2](=[C:3](/[C:4]([H:8])([H:11])[H:12])[H:10])[H:9])[H:7],"InChI=1S/C5H10O/c6-4-5-2-1-3-5/h5-6H,1-4H2","InChI=1S/C3H6O.C2H4/c1-2-3-4;1-2/h2-4H,1H3;1-2H2/b3-2+;",85.28686,12.50886,
8081,[O:1]([C:2]([C:3]1([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:8])[H:9])[H:7],[C:2](=[C:3]1[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:8])[H:9].[O:1]([H:7])[H:10],"InChI=1S/C5H10O/c6-4-5-2-1-3-5/h5-6H,1-4H2",InChI=1S/C5H8.H2O/c1-5-3-2-4-5;/h1-4H2;1H2,62.86186,10.03594,"1,3_Insertion_ROR"
8082,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]1([C:5]#[N:6])[H:13])([H:7])([H:8])[H:9],[C:1]([C+:2]1[C:3]([H:11])([H:12])[C@:4]1([C-:5]=[N:6][H:10])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-4-2-5(4)3-6/h4-5H,2H2,1H3/t4-,5-/m0/s1","InChI=1S/C5H7N/c1-4-2-5(4)3-6/h5-6H,2H2,1H3/t5-/m0/s1",118.96373,75.58298,
8083,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]1([C:5]#[N:6])[H:13])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([C+:4]=[C:5]=[N-:6])([H:11])[H:12])([H:10])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-4-2-5(4)3-6/h4-5H,2H2,1H3/t4-,5-/m0/s1","InChI=1S/C5H7N/c1-2-3-4-5-6/h2-3H2,1H3",62.530319999999996,61.74301,
8084,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]1([C:5]#[N:6])[H:13])([H:7])([H:8])[H:9],[C:1]([C@@:4]([C:3]([C:2][H:10])([H:11])[H:12])([C:5]#[N:6])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-4-2-5(4)3-6/h4-5H,2H2,1H3/t4-,5-/m0/s1","InChI=1S/C5H7N/c1-3-5(2)4-6/h1,5H,3H2,2H3/t5-/m0/s1",101.62617,79.95605,
8085,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]1([C:5]#[N:6])[H:13])([H:7])([H:8])[H:9],[C:1](=[C:2]([H:8])[H:10])([H:7])[H:9].[C:3](=[C:4]([C:5]#[N:6])[H:13])([H:11])[H:12],"InChI=1S/C5H7N/c1-4-2-5(4)3-6/h4-5H,2H2,1H3/t4-,5-/m0/s1","InChI=1S/C3H3N.C2H4/c1-2-3-4;1-2/h2H,1H2;1-2H2",69.17228,19.90012,
8086,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]1([C:5]#[N:6])[H:13])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C+:4]=[C:5]=[N-:6])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-4-2-5(4)3-6/h4-5H,2H2,1H3/t4-,5-/m0/s1","InChI=1S/C5H7N/c1-5(2)3-4-6/h5H,1-2H3",63.153180000000006,59.47099,
8087,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]1([C:5]#[N:6])[H:13])([H:7])([H:8])[H:9],[C:1]1([H:7])([H:9])[C:2]([H:8])([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])=[C:5]=[N:6]1,"InChI=1S/C5H7N/c1-4-2-5(4)3-6/h4-5H,2H2,1H3/t4-,5-/m0/s1","InChI=1S/C5H7N/c1-2-4-6-5-3-1/h2H,1,3,5H2",69.17505,34.91398,
8088,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]1([C:5]#[N:6])[H:13])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]1([N+:6]#[C-:5])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-4-2-5(4)3-6/h4-5H,2H2,1H3/t4-,5-/m0/s1","InChI=1S/C5H7N/c1-4-3-5(4)6-2/h4-5H,3H2,1H3/t4-,5+/m0/s1",61.128969999999995,27.089940000000002,
8089,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]1([C:5]#[N:6])[H:13])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[N:6]=[C:5]=[C:4]1[H:13])([H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-4-2-5(4)3-6/h4-5H,2H2,1H3/t4-,5-/m0/s1","InChI=1S/C5H7N/c1-5-2-3-6-4-5/h2,5H,4H2,1H3/t5-/m1/s1",90.30395,66.62679,
8090,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]1([C:5]#[N:6])[H:13])([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:10].[C:2]1[C:3]([H:11])([H:12])[C@:4]1([C:5]#[N:6])[H:13],"InChI=1S/C5H7N/c1-4-2-5(4)3-6/h4-5H,2H2,1H3/t4-,5-/m0/s1","InChI=1S/C4H3N.CH4/c5-3-4-1-2-4;/h4H,1H2;1H4/t4-;/m1./s1",88.08904,97.36676999999999,
8091,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]1([C:5]#[N:6])[H:13])([H:7])([H:8])[H:9],[C:1]1([H:7])=[N+:6]=[C-:5][C@@:4]2([H:13])[C@:2]1([H:10])[C:3]2([H:11])[H:12].[H:8][H:9],"InChI=1S/C5H7N/c1-4-2-5(4)3-6/h4-5H,2H2,1H3/t4-,5-/m0/s1","InChI=1S/C5H5N.H2/c1-4-2-6-3-5(1)4;/h2,4-5H,1H2;1H/t4-,5+;/m1./s1",121.75558999999998,104.75086,
8092,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]1([C:5]#[N:6])[H:13])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C-:3]([H:11])[C@:4]1([C+:5]=[N:6][H:12])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-4-2-5(4)3-6/h4-5H,2H2,1H3/t4-,5-/m0/s1","InChI=1S/C5H7N/c1-4-2-5(4)3-6/h2,4-6H,1H3/t4-,5-/m0/s1",117.71255,77.91563000000001,
8093,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]1([C:5]#[N:6])[H:13])([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:12].[C:2]1([H:10])=[C:3]([H:11])[C:4]1([C:5]#[N:6])[H:13],"InChI=1S/C5H7N/c1-4-2-5(4)3-6/h4-5H,2H2,1H3/t4-,5-/m0/s1","InChI=1S/C4H3N.CH4/c5-3-4-1-2-4;/h1-2,4H;1H4",101.12706,43.19908,
8094,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]1([C:5]#[N:6])[H:13])([H:7])([H:8])[H:9],[C:1]([C:2][C:3]([C:4]([C:5]#[N:6])([H:10])[H:13])([H:11])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C5H7N/c1-4-2-5(4)3-6/h4-5H,2H2,1H3/t4-,5-/m0/s1","InChI=1S/C5H7N/c1-2-3-4-5-6/h3-4H2,1H3",69.12439,72.19901999999999,
8095,[C:1]([C:2]#[C:3][C:4]#[N:5])([H:6])([H:7])[H:8],[C:1]([C:2](=[C-:3])[N+:5]#[C:4])([H:6])([H:7])[H:8],InChI=1S/C4H3N/c1-2-3-4-5/h1H3,InChI=1S/C4H3N/c1-4(2)5-3/h1H3,95.3664,90.60415,
8096,[C:1]([C:2]#[C:3][C:4]#[N:5])([H:6])([H:7])[H:8],[C:1]([C:2]#[C:3][N+:5]#[C-:4])([H:6])([H:7])[H:8],InChI=1S/C4H3N/c1-2-3-4-5/h1H3,InChI=1S/C4H3N/c1-3-4-5-2/h1H3,62.56973000000001,31.123990000000003,
8097,[C:1]([C:2]#[C:3][C:4]#[N:5])([H:6])([H:7])[H:8],[C:1]([C:2](=[C:3])[C:4]#[N:5])([H:6])([H:7])[H:8],InChI=1S/C4H3N/c1-2-3-4-5/h1H3,InChI=1S/C4H3N/c1-4(2)3-5/h1H3,56.768159999999995,61.88514,
8098,[C:1]([C:2]#[C:3][C:4]#[N:5])([H:6])([H:7])[H:8],[C:1](=[C:2]=[C:3]=[C:4]=[N:5][H:7])([H:6])[H:8],InChI=1S/C4H3N/c1-2-3-4-5/h1H3,"InChI=1S/C4H3N/c1-2-3-4-5/h5H,1H2",84.32973,20.06815,
8099,[C:1]([O:2][C:3]([H:7])([H:8])[H:9])([H:4])([H:5])[H:6],[C-:1]([O+:2]=[C:3]([H:7])[H:9])([H:5])[H:6].[H:4][H:8],InChI=1S/C2H6O/c1-3-2/h1-2H3,InChI=1S/C2H4O.H2/c1-3-2;/h1-2H2;1H,68.70736,72.99672,
8100,[O:1]([C@:2]12[C:3]([H:8])([H:9])[C@@:4]1([H:10])[C:5]([H:11])([H:12])[C:6]2([H:13])[H:14])[H:7],[O:1]=[C:2]([C:6]([C:5]([C:4](=[C:3]([H:8])[H:9])[H:10])([H:11])[H:12])([H:13])[H:14])[H:7],"InChI=1S/C5H8O/c6-5-2-1-4(5)3-5/h4,6H,1-3H2/t4-,5-/m1/s1","InChI=1S/C5H8O/c1-2-3-4-5-6/h2,5H,1,3-4H2",63.992540000000005,-21.08993,
8101,[O:1]([C@:2]12[C:3]([H:8])([H:9])[C@@:4]1([H:10])[C:5]([H:11])([H:12])[C:6]2([H:13])[H:14])[H:7],[O:1]([C@:2]1([C:3]([H:8])([H:9])[H:10])[C:4][C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])[H:7],"InChI=1S/C5H8O/c6-5-2-1-4(5)3-5/h4,6H,1-3H2/t4-,5-/m1/s1","InChI=1S/C5H8O/c1-5(6)3-2-4-5/h6H,2-3H2,1H3/t5-/m0/s1",63.128519999999995,68.87213,
8102,[O:1]([C@:2]12[C:3]([H:8])([H:9])[C@@:4]1([H:10])[C:5]([H:11])([H:12])[C:6]2([H:13])[H:14])[H:7],[O:1]([C:2]1=[C:3]([H:9])[C:4]([H:8])([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])[H:7],"InChI=1S/C5H8O/c6-5-2-1-4(5)3-5/h4,6H,1-3H2/t4-,5-/m1/s1","InChI=1S/C5H8O/c6-5-3-1-2-4-5/h3,6H,1-2,4H2",59.96795,-33.44895,
8103,[O:1]([C@:2]12[C:3]([H:8])([H:9])[C@@:4]1([H:10])[C:5]([H:11])([H:12])[C:6]2([H:13])[H:14])[H:7],[O:1]([C:2]([C:3]([C:4](=[C:5]([H:11])[H:12])[H:10])([H:8])[H:9])=[C:6]([H:13])[H:14])[H:7],"InChI=1S/C5H8O/c6-5-2-1-4(5)3-5/h4,6H,1-3H2/t4-,5-/m1/s1","InChI=1S/C5H8O/c1-3-4-5(2)6/h3,6H,1-2,4H2",55.6326,-18.99173,
8104,[O:1]([C@:2]12[C:3]([H:8])([H:9])[C@@:4]1([H:10])[C:5]([H:11])([H:12])[C:6]2([H:13])[H:14])[H:7],[O:1]([C@:2]1([H:9])[C@:4]([C:3][H:8])([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])[H:7],"InChI=1S/C5H8O/c6-5-2-1-4(5)3-5/h4,6H,1-3H2/t4-,5-/m1/s1","InChI=1S/C5H8O/c1-4-2-3-5(4)6/h1,4-6H,2-3H2/t4-,5-/m0/s1",66.68887,68.89896999999999,
8105,[O:1]([C@:2]12[C:3]([H:8])([H:9])[C@@:4]1([H:10])[C:5]([H:11])([H:12])[C:6]2([H:13])[H:14])[H:7],[O:1]([C:2][C:6]([C:5]([C:4](=[C:3]([H:8])[H:9])[H:10])([H:11])[H:12])([H:13])[H:14])[H:7],"InChI=1S/C5H8O/c6-5-2-1-4(5)3-5/h4,6H,1-3H2/t4-,5-/m1/s1","InChI=1S/C5H8O/c1-2-3-4-5-6/h2,6H,1,3-4H2",38.09348,34.48536,
8106,[O:1]([C@:2]12[C:3]([H:8])([H:9])[C@@:4]1([H:10])[C:5]([H:11])([H:12])[C:6]2([H:13])[H:14])[H:7],[O:1]([C@@:2]1([H:10])[C:3]([H:8])([H:9])[C:4][C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])[H:7],"InChI=1S/C5H8O/c6-5-2-1-4(5)3-5/h4,6H,1-3H2/t4-,5-/m1/s1","InChI=1S/C5H8O/c6-5-3-1-2-4-5/h5-6H,1,3-4H2/t5-/m1/s1",59.62146,45.48855,
8107,[O:1]([C@:2]12[C:3]([H:8])([H:9])[C@@:4]1([H:10])[C:5]([H:11])([H:12])[C:6]2([H:13])[H:14])[H:7],[O:1]([C+:2]1[C@:4]([C:3]([H:8])([H:9])[H:12])([H:10])[C-:5]([H:11])[C:6]1([H:13])[H:14])[H:7],"InChI=1S/C5H8O/c6-5-2-1-4(5)3-5/h4,6H,1-3H2/t4-,5-/m1/s1","InChI=1S/C5H8O/c1-4-2-3-5(4)6/h2,4,6H,3H2,1H3/t4-/m0/s1",88.9575,56.77066,
8108,[O:1]([C@:2]12[C:3]([H:8])([H:9])[C@@:4]1([H:10])[C:5]([H:11])([H:12])[C:6]2([H:13])[H:14])[H:7],[O:1]=[C:2]1[C:3]([H:8])([H:9])[C@:4]1([C:5]([C:6]([H:7])([H:13])[H:14])([H:11])[H:12])[H:10],"InChI=1S/C5H8O/c6-5-2-1-4(5)3-5/h4,6H,1-3H2/t4-,5-/m1/s1","InChI=1S/C5H8O/c1-2-4-3-5(4)6/h4H,2-3H2,1H3/t4-/m1/s1",69.23468000000001,-7.29816,
8109,[O:1]([C@:2]12[C:3]([H:8])([H:9])[C@@:4]1([H:10])[C:5]([H:11])([H:12])[C:6]2([H:13])[H:14])[H:7],[O:1]([C@:2]1([H:14])[C:3]([H:8])([H:9])[C@:4]1([C:5]([C:6][H:13])([H:11])[H:12])[H:10])[H:7],"InChI=1S/C5H8O/c6-5-2-1-4(5)3-5/h4,6H,1-3H2/t4-,5-/m1/s1","InChI=1S/C5H8O/c1-2-4-3-5(4)6/h1,4-6H,2-3H2/t4-,5-/m1/s1",77.91476,80.11376,
8110,[O:1]([C@:2]12[C:3]([H:8])([H:9])[C@@:4]1([H:10])[C:5]([H:11])([H:12])[C:6]2([H:13])[H:14])[H:7],[O:1]([C:2][C:3]([C:4]1([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])([H:8])[H:9])[H:7],"InChI=1S/C5H8O/c6-5-2-1-4(5)3-5/h4,6H,1-3H2/t4-,5-/m1/s1","InChI=1S/C5H8O/c6-4-3-5-1-2-5/h5-6H,1-3H2",57.39216999999999,41.42682,
8111,[O:1]([C@:2]12[C:3]([H:8])([H:9])[C@@:4]1([H:10])[C:5]([H:11])([H:12])[C:6]2([H:13])[H:14])[H:7],[O:1]([C:2](=[C:3]([H:8])[H:9])[C:4]1([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])[H:7],"InChI=1S/C5H8O/c6-5-2-1-4(5)3-5/h4,6H,1-3H2/t4-,5-/m1/s1","InChI=1S/C5H8O/c1-4(6)5-2-3-5/h5-6H,1-3H2",53.75169,-15.089529999999998,
8112,[O:1]([C@:2]12[C:3]([H:8])([H:9])[C@@:4]1([H:10])[C:5]([H:11])([H:12])[C:6]2([H:13])[H:14])[H:7],[O:1]([C@:2]1([H:9])[C:3]([H:8])=[C:4]([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])[H:7],"InChI=1S/C5H8O/c6-5-2-1-4(5)3-5/h4,6H,1-3H2/t4-,5-/m1/s1","InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1,3,5-6H,2,4H2/t5-/m1/s1",67.15802,-27.65542,
8113,[O:1]([C@:2]12[C:3]([H:8])([H:9])[C@@:4]1([H:10])[C:5]([H:11])([H:12])[C:6]2([H:13])[H:14])[H:7],[O:1]([C@:2]1([C:6]([C:5]([H:10])([H:11])[H:12])([H:13])[H:14])[C:3]([H:8])([H:9])[C:4]1)[H:7],"InChI=1S/C5H8O/c6-5-2-1-4(5)3-5/h4,6H,1-3H2/t4-,5-/m1/s1","InChI=1S/C5H8O/c1-2-5(6)3-4-5/h6H,2-3H2,1H3/t5-/m1/s1",69.72346999999999,70.21389,
8114,[O:1]([C@:2]12[C:3]([H:8])([H:9])[C@@:4]1([H:10])[C:5]([H:11])([H:12])[C:6]2([H:13])[H:14])[H:7],[C:2]12=[C:3]([H:9])[C@@:4]1([H:10])[C:5]([H:11])([H:12])[C:6]2([H:13])[H:14].[O:1]([H:7])[H:8],"InChI=1S/C5H8O/c6-5-2-1-4(5)3-5/h4,6H,1-3H2/t4-,5-/m1/s1","InChI=1S/C5H6.H2O/c1-2-5-3-4(1)5;/h3-4H,1-2H2;1H2/t4-;/m1./s1",81.3044,65.64491,
8115,[O:1]([C@:2]12[C:3]([H:8])([H:9])[C@@:4]1([H:10])[C:5]([H:11])([H:12])[C:6]2([H:13])[H:14])[H:7],[O:1]([C:2]1([C:3]([C:4][H:10])([H:8])[H:9])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])[H:7],"InChI=1S/C5H8O/c6-5-2-1-4(5)3-5/h4,6H,1-3H2/t4-,5-/m1/s1","InChI=1S/C5H8O/c1-2-5(6)3-4-5/h1,6H,2-4H2",73.50525,78.10265,
8116,[O:1]([C@:2]12[C:3]([H:8])([H:9])[C@@:4]1([H:10])[C:5]([H:11])([H:12])[C:6]2([H:13])[H:14])[H:7],[O:1]([C:2][C:4]1([H:10])[C:3]([H:8])([H:9])[C:6]([H:13])([H:14])[C:5]1([H:11])[H:12])[H:7],"InChI=1S/C5H8O/c6-5-2-1-4(5)3-5/h4,6H,1-3H2/t4-,5-/m1/s1","InChI=1S/C5H8O/c6-4-5-2-1-3-5/h5-6H,1-3H2",91.5975,37.98655,
8117,[O:1]([C@:2]12[C:3]([H:8])([H:9])[C@@:4]1([H:10])[C:5]([H:11])([H:12])[C:6]2([H:13])[H:14])[H:7],[O:1]([C@:4]1([H:10])[C:2]2([C:3]1([H:8])[H:9])[C:5]([H:11])([H:12])[C:6]2([H:13])[H:14])[H:7],"InChI=1S/C5H8O/c6-5-2-1-4(5)3-5/h4,6H,1-3H2/t4-,5-/m1/s1","InChI=1S/C5H8O/c6-4-3-5(4)1-2-5/h4,6H,1-3H2/t4-/m0/s1",101.00079000000001,7.329910000000001,
8118,[O:1]([C@:2]12[C:3]([H:8])([H:9])[C@@:4]1([H:10])[C:5]([H:11])([H:12])[C:6]2([H:13])[H:14])[H:7],[O:1]([C:2]1=[C:4]([C:5]([C:6]([H:10])([H:13])[H:14])([H:11])[H:12])[C:3]1([H:8])[H:9])[H:7],"InChI=1S/C5H8O/c6-5-2-1-4(5)3-5/h4,6H,1-3H2/t4-,5-/m1/s1","InChI=1S/C5H8O/c1-2-4-3-5(4)6/h6H,2-3H2,1H3",105.7605,9.712060000000001,
8119,[O:1]([C@:2]12[C:3]([H:8])([H:9])[C@@:4]1([H:10])[C:5]([H:11])([H:12])[C:6]2([H:13])[H:14])[H:7],[O:1]([C:3]([C@:4]1([H:10])[C:2][C:6]([H:13])([H:14])[C:5]1([H:11])[H:12])([H:8])[H:9])[H:7],"InChI=1S/C5H8O/c6-5-2-1-4(5)3-5/h4,6H,1-3H2/t4-,5-/m1/s1","InChI=1S/C5H8O/c6-4-5-2-1-3-5/h5-6H,1-2,4H2/t5-/m0/s1",115.27948,58.739959999999996,
8120,[O:1]([C@:2]12[C:3]([H:8])([H:9])[C@@:4]1([H:10])[C:5]([H:11])([H:12])[C:6]2([H:13])[H:14])[H:7],[C:2]12=[C:4]([C:3]1([H:8])[H:9])[C:5]([H:11])([H:12])[C:6]2([H:13])[H:14].[O:1]([H:7])[H:10],"InChI=1S/C5H8O/c6-5-2-1-4(5)3-5/h4,6H,1-3H2/t4-,5-/m1/s1",InChI=1S/C5H6.H2O/c1-2-5-3-4(1)5;/h1-3H2;1H2,89.77825,70.7781,
8121,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]1([C@@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]1)[H:11],[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]1([C@@:4]([C:5][H:13])([O:6][H:14])[H:12])[H:11],"InChI=1S/C5H8O/c1-2-4(1)5-3-6-5/h4-5H,1-3H2/t5-/m1/s1","InChI=1S/C5H8O/c1-4(6)5-2-3-5/h1,4-6H,2-3H2/t4-/m1/s1",68.20348,66.16414,
8122,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]1([C@@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]1)[H:11],[C:1](=[C:2]([H:9])[H:10])([H:7])[H:8].[C:3]([C:4](=[C:5]([H:13])[H:14])[H:12])(=[O:6])[H:11],"InChI=1S/C5H8O/c1-2-4(1)5-3-6-5/h4-5H,1-3H2/t5-/m1/s1","InChI=1S/C3H4O.C2H4/c1-2-3-4;1-2/h2-3H,1H2;1-2H2",85.24154,-8.613669999999999,
8123,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]1([C@@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]1)[H:11],[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]1([C:4]([O+:6]=[C-:5][H:13])([H:12])[H:14])[H:11],"InChI=1S/C5H8O/c1-2-4(1)5-3-6-5/h4-5H,1-3H2/t5-/m1/s1","InChI=1S/C5H8O/c1-6-4-5-2-3-5/h1,5H,2-4H2",75.81175,46.7357,
8124,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]1([C@@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]1)[H:11],[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]1([C:4][C:5]([O:6][H:12])([H:13])[H:14])[H:11],"InChI=1S/C5H8O/c1-2-4(1)5-3-6-5/h4-5H,1-3H2/t5-/m1/s1","InChI=1S/C5H8O/c6-4-3-5-1-2-5/h5-6H,1-2,4H2",60.92516,49.42589,
8125,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]1([C@@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]1)[H:11],[C:1]1([H:7])([H:8])[C:2]([H:9])=[C:3]1[H:11].[C:4]([C:5]([H:10])([H:13])[H:14])(=[O:6])[H:12],"InChI=1S/C5H8O/c1-2-4(1)5-3-6-5/h4-5H,1-3H2/t5-/m1/s1","InChI=1S/C3H4.C2H4O/c1-2-3-1;1-2-3/h1-2H,3H2;2H,1H3",67.46045,22.7025,
8126,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]1([C@@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]1)[H:11],[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]1=[C:4]([C:5]([O:6][H:11])([H:13])[H:14])[H:12],"InChI=1S/C5H8O/c1-2-4(1)5-3-6-5/h4-5H,1-3H2/t5-/m1/s1","InChI=1S/C5H8O/c6-4-3-5-1-2-5/h3,6H,1-2,4H2",59.78196,-4.38685,
8127,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]1([C@@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]1)[H:11],[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]([H:11])=[C:4]([H:12])[C:5]([H:13])([H:14])[O:6]1,"InChI=1S/C5H8O/c1-2-4(1)5-3-6-5/h4-5H,1-3H2/t5-/m1/s1","InChI=1S/C5H8O/c1-2-4-6-5-3-1/h1-2H,3-5H2",65.69583,20.07561,
8128,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]1([C@@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]1)[H:11],[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]1([C-:4]=[O+:6][C:5]([H:12])([H:13])[H:14])[H:11],"InChI=1S/C5H8O/c1-2-4(1)5-3-6-5/h4-5H,1-3H2/t5-/m1/s1","InChI=1S/C5H8O/c1-6-4-5-2-3-5/h5H,2-3H2,1H3",68.17922,34.13348,
8129,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]1([C@@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]1)[H:11],[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]1([O:6][C:5]([C:4][H:12])([H:13])[H:14])[H:11],"InChI=1S/C5H8O/c1-2-4(1)5-3-6-5/h4-5H,1-3H2/t5-/m1/s1","InChI=1S/C5H8O/c1-2-6-5-3-4-5/h1,5H,2-4H2",102.93936,82.56734,
8130,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]1([C@@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]1)[H:11],[C:1]([C:2]([H:9])([H:10])[H:11])([C:3][C@@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]1)([H:7])[H:8],"InChI=1S/C5H8O/c1-2-4(1)5-3-6-5/h4-5H,1-3H2/t5-/m1/s1","InChI=1S/C5H8O/c1-2-3-5-4-6-5/h5H,2,4H2,1H3/t5-/m0/s1",66.65938,62.1318,
8131,[C:1]1([H:7])([H:8])[C:2]([H:9])([H:10])[C:3]1([C@@:4]1([H:12])[C:5]([H:13])([H:14])[O:6]1)[H:11],[C-:1]1([H:7])[C:2]([H:9])([H:10])[C@@:3]1([C:4]1=[O+:6][C:5]1([H:13])[H:14])[H:11].[H:8][H:12],"InChI=1S/C5H8O/c1-2-4(1)5-3-6-5/h4-5H,1-3H2/t5-/m1/s1","InChI=1S/C5H6O.H2/c1-2-4(1)5-3-6-5;/h1,4H,2-3H2;1H/t4-;/m1./s1",112.81398999999999,87.86595,
8132,[C:1]([O:2][C:3]1([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([O+:2]=[C-:3][C:6]([C:5]([C:4]([H:10])([H:11])[H:12])([H:13])[H:14])([H:15])[H:16])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-6-5-3-2-4-5/h5H,2-4H2,1H3","InChI=1S/C5H10O/c1-3-4-5-6-2/h3-4H2,1-2H3",56.679469999999995,37.295,
8133,[C:1]([O:2][C:3]1([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C-:1]([O+:2]=[C:3]([C:4]([C:5]([C:6]([H:8])([H:15])[H:16])([H:13])[H:14])([H:11])[H:12])[H:10])([H:7])[H:9],"InChI=1S/C5H10O/c1-6-5-3-2-4-5/h5H,2-4H2,1H3","InChI=1S/C5H10O/c1-3-4-5-6-2/h5H,2-4H2,1H3",68.33794,38.882909999999995,
8134,[C:1]([O:2][C:3]1([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([O:2][C:3]1=[C:4]([H:11])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9].[H:10][H:12],"InChI=1S/C5H10O/c1-6-5-3-2-4-5/h5H,2-4H2,1H3","InChI=1S/C5H8O.H2/c1-6-5-3-2-4-5;/h3H,2,4H2,1H3;1H",100.9029,25.7037,
8135,[C:1]([O:2][C:3]1([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([O:2][C@:3]([C:4]([C:5][H:13])([H:11])[H:12])([C:6]([H:14])([H:15])[H:16])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-6-5-3-2-4-5/h5H,2-4H2,1H3","InChI=1S/C5H10O/c1-4-5(2)6-3/h1,5H,4H2,2-3H3/t5-/m0/s1",76.72255,77.09472,
8136,[C:1]([O:2][C:3]1([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([O:2][C@:3]1([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])=[C:6]1[H:15])([H:7])([H:8])[H:9].[H:14][H:16],"InChI=1S/C5H10O/c1-6-5-3-2-4-5/h5H,2-4H2,1H3","InChI=1S/C5H8O.H2/c1-6-5-3-2-4-5;/h2-3,5H,4H2,1H3;1H/t5-;/m0./s1",111.55333,35.07772,
8137,[C:1]([O:2][C:3]1([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([O:2][C:3](=[C:6]([H:15])[H:16])[H:10])([H:7])([H:8])[H:9].[C:4](=[C:5]([H:13])[H:14])([H:11])[H:12],"InChI=1S/C5H10O/c1-6-5-3-2-4-5/h5H,2-4H2,1H3","InChI=1S/C3H6O.C2H4/c1-3-4-2;1-2/h3H,1H2,2H3;1-2H2",76.20978000000001,16.865679999999998,
8138,[C:1]([O:2][C:3]1([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([O:2][C:4]([C:3]1([H:10])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:11])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-6-5-3-2-4-5/h5H,2-4H2,1H3","InChI=1S/C5H10O/c1-6-4-5-2-3-5/h5H,2-4H2,1H3",77.90949,4.60145,
8139,[C:1]([O:2][C:3]1([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([O:2][C:3]([C:6]([C:5]([C:4][H:12])([H:13])[H:14])([H:15])[H:16])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-6-5-3-2-4-5/h5H,2-4H2,1H3","InChI=1S/C5H10O/c1-3-4-5-6-2/h1H,3-5H2,2H3",76.85801,80.55393000000001,
8140,[C:1]([O:2][C:3]1([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([O:2][H:11])([H:7])([H:8])[H:9].[C:3]1([H:10])=[C:4]([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16],"InChI=1S/C5H10O/c1-6-5-3-2-4-5/h5H,2-4H2,1H3","InChI=1S/C4H6.CH4O/c1-2-4-3-1;1-2/h1-2H,3-4H2;2H,1H3",63.776669999999996,20.1182,"1,3_Insertion_ROR"
8141,[C:1]([O:2][C:3]1([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:12].[O:2]=[C:3]([C:4]1([H:11])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])[H:10],"InChI=1S/C5H10O/c1-6-5-3-2-4-5/h5H,2-4H2,1H3","InChI=1S/C4H6O.CH4/c5-3-4-1-2-4;/h3-4H,1-2H2;1H4",85.34716,-5.83748,
8142,[C:1]([O:2][C:3]1([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([O:2][C@:3]([C:4][H:11])([C:6]([C:5]([H:12])([H:13])[H:14])([H:15])[H:16])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H10O/c1-6-5-3-2-4-5/h5H,2-4H2,1H3","InChI=1S/C5H10O/c1-4-5(2)6-3/h2,5H,4H2,1,3H3/t5-/m1/s1",76.8874,78.46248,
8143,[C:1]([O:2][C:3]1([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C-:1]([O+:2]=[C:3]1[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:7])[H:9].[H:8][H:10],"InChI=1S/C5H10O/c1-6-5-3-2-4-5/h5H,2-4H2,1H3",InChI=1S/C5H8O.H2/c1-6-5-3-2-4-5;/h1-4H2;1H,66.5918,70.59862,
8144,[C:1]([O:2][C:3]1([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:7])([H:8])[H:9],[C:1]([O+:2]=[C-:3][H:10])([H:7])([H:8])[H:9].[C:4]1([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16],"InChI=1S/C5H10O/c1-6-5-3-2-4-5/h5H,2-4H2,1H3","InChI=1S/C3H6.C2H4O/c1-2-3-1;1-3-2/h1-3H2;1H,2H3",95.89728000000001,75.02075,
8145,[C:1]([O:2][C@@:3]1([H:10])[C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])([H:7])([H:8])[H:9],[C:1]([O:2][H:11])([H:7])([H:8])[H:9].[C:3]1([H:10])=[C:4]([H:12])[C:5]1([O:6][H:14])[H:13],"InChI=1S/C4H8O2/c1-6-4-2-3(4)5/h3-5H,2H2,1H3/t3-,4+/m1/s1","InChI=1S/C3H4O.CH4O/c4-3-1-2-3;1-2/h1-4H;2H,1H3",70.91435,33.26096,
8146,[C:1]([O:2][C@@:3]1([H:10])[C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])([H:7])([H:8])[H:9],[C-:1]([O+:2]=[C:3]([C@@:5]([C:4]([H:8])([H:11])[H:12])([O:6][H:14])[H:13])[H:10])([H:7])[H:9],"InChI=1S/C4H8O2/c1-6-4-2-3(4)5/h3-5H,2H2,1H3/t3-,4+/m1/s1","InChI=1S/C4H8O2/c1-4(5)3-6-2/h3-5H,2H2,1H3/t4-/m1/s1",64.74671,33.51161,
8147,[C:1]([O:2][C@@:3]1([H:10])[C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])([H:7])([H:8])[H:9],[C:1]([O:2][C@@:3]([C:4]([H:11])([H:12])[H:13])([C:5][O:6][H:14])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-6-4-2-3(4)5/h3-5H,2H2,1H3/t3-,4+/m1/s1","InChI=1S/C4H8O2/c1-4(3-5)6-2/h4-5H,1-2H3/t4-/m0/s1",49.672270000000005,30.910940000000004,
8148,[C:1]([O:2][C@@:3]1([H:10])[C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])([H:7])([H:8])[H:9],[C-:1]([O+:2]=[C:3]([C:4]([C:5](=[O:6])[H:13])([H:11])[H:12])[H:10])([H:7])[H:9].[H:8][H:14],"InChI=1S/C4H8O2/c1-6-4-2-3(4)5/h3-5H,2H2,1H3/t3-,4+/m1/s1","InChI=1S/C4H6O2.H2/c1-6-4-2-3-5;/h3-4H,1-2H2;1H",68.97229,50.822070000000004,
8149,[C:1]([O:2][C@@:3]1([H:10])[C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])([H:7])([H:8])[H:9],[C:1]([O:2][H:14])([H:7])([H:8])[H:9].[C:3](=[C:4]([H:11])[H:12])([C:5](=[O:6])[H:13])[H:10],"InChI=1S/C4H8O2/c1-6-4-2-3(4)5/h3-5H,2H2,1H3/t3-,4+/m1/s1","InChI=1S/C3H4O.CH4O/c1-2-3-4;1-2/h2-3H,1H2;2H,1H3",32.26956,-4.97622,
8150,[C:1]([O:2][C@@:3]1([H:10])[C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])([H:7])([H:8])[H:9],[C:1]([O:2][C@@:3]1([H:10])[C:4]([H:11])([H:12])[C:5]1)([H:7])([H:8])[H:9].[O:6]([H:13])[H:14],"InChI=1S/C4H8O2/c1-6-4-2-3(4)5/h3-5H,2H2,1H3/t3-,4+/m1/s1","InChI=1S/C4H6O.H2O/c1-5-4-2-3-4;/h4H,2H2,1H3;1H2/t4-;/m0./s1",75.19989,21.393420000000003,
8151,[C:1]([O:2][C@@:3]1([H:10])[C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])([H:7])([H:8])[H:9],[C:1]([O:2]/[C:3](=[C:5](\[O:6][H:14])[H:13])[H:10])([H:7])([H:8])[H:9].[C:4]([H:11])[H:12],"InChI=1S/C4H8O2/c1-6-4-2-3(4)5/h3-5H,2H2,1H3/t3-,4+/m1/s1","InChI=1S/C3H6O2.CH2/c1-5-3-2-4;/h2-4H,1H3;1H2/b3-2-;",88.58081999999999,104.1696,1+2_Cycloaddition
8152,[C:1]([O:2][C@@:3]1([H:10])[C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])([H:7])([H:8])[H:9],[C:1]([O:2][C:3](/[C:4](=[C:5](\[O:6][H:14])[H:13])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-6-4-2-3(4)5/h3-5H,2H2,1H3/t3-,4+/m1/s1","InChI=1S/C4H8O2/c1-6-4-2-3-5/h2-3,5H,4H2,1H3/b3-2-",67.26728,-17.01475,
8153,[C:1]([O:2][C@@:3]1([H:10])[C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])([H:7])([H:8])[H:9],[C:1]([O:2][C@@:3]1([H:10])[C:4]([H:11])([H:12])[C:5]1=[O:6])([H:7])([H:8])[H:9].[H:13][H:14],"InChI=1S/C4H8O2/c1-6-4-2-3(4)5/h3-5H,2H2,1H3/t3-,4+/m1/s1","InChI=1S/C4H6O2.H2/c1-6-4-2-3(4)5;/h4H,2H2,1H3;1H/t4-;/m0./s1",89.15127,30.909290000000002,
8154,[C:1]([O:2][C@@:3]1([H:10])[C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])([H:7])([H:8])[H:9],[C:1]([C@:3]([O:2][H:14])([C:4]([C:5](=[O:6])[H:13])([H:11])[H:12])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-6-4-2-3(4)5/h3-5H,2H2,1H3/t3-,4+/m1/s1","InChI=1S/C4H8O2/c1-4(6)2-3-5/h3-4,6H,2H2,1H3/t4-/m0/s1",68.08451,-33.52107,
8155,[C:1]([O:2][C@@:3]1([H:10])[C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])([H:7])([H:8])[H:9],[C:1]([O:2][C:3](=[C:4]([H:11])[H:12])[H:10])([H:7])([H:8])[H:9].[C:5](=[O:6])([H:13])[H:14],"InChI=1S/C4H8O2/c1-6-4-2-3(4)5/h3-5H,2H2,1H3/t3-,4+/m1/s1","InChI=1S/C3H6O.CH2O/c1-3-4-2;1-2/h3H,1H2,2H3;1H2",77.96693,8.31057,
8156,[C:1]([O:2][C@@:3]1([H:10])[C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])([H:7])([H:8])[H:9],[C:1]([O:2][C:3]1([H:10])[C:4]([H:12])=[C:5]1[H:13])([H:7])([H:8])[H:9].[O:6]([H:11])[H:14],"InChI=1S/C4H8O2/c1-6-4-2-3(4)5/h3-5H,2H2,1H3/t3-,4+/m1/s1","InChI=1S/C4H6O.H2O/c1-5-4-2-3-4;/h2-4H,1H3;1H2",65.33986999999999,32.2688,
8157,[C:1]([O:2][C@@:3]1([H:10])[C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])([H:7])([H:8])[H:9],[C-:1]([O+:2]=[C:3]1[C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])([H:7])[H:9].[H:8][H:10],"InChI=1S/C4H8O2/c1-6-4-2-3(4)5/h3-5H,2H2,1H3/t3-,4+/m1/s1","InChI=1S/C4H6O2.H2/c1-6-4-2-3(4)5;/h3,5H,1-2H2;1H/t3-;/m1./s1",74.97156,80.1944,
8158,[C:1]([O:2][C@@:3]1([H:10])[C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])([H:7])([H:8])[H:9],[C:1]([O:2][C:3]([C:5](=[C:4]([H:11])[H:12])[O:6][H:14])([H:10])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-6-4-2-3(4)5/h3-5H,2H2,1H3/t3-,4+/m1/s1","InChI=1S/C4H8O2/c1-4(5)3-6-2/h5H,1,3H2,2H3",56.90276,-16.01859,
8159,[C:1]([O:2][C@@:3]1([H:10])[C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])([H:7])([H:8])[H:9],[C:1]([O:2]/[C:3](=[C:4](\[C:5]([O:6][H:14])([H:11])[H:13])[H:12])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-6-4-2-3(4)5/h3-5H,2H2,1H3/t3-,4+/m1/s1","InChI=1S/C4H8O2/c1-6-4-2-3-5/h2,4-5H,3H2,1H3/b4-2-",63.815540000000006,-9.4671,
8160,[C:1]([O:2][C@@:3]1([H:10])[C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:14].[O:2]=[C:3]([C:4]([C:5](=[O:6])[H:13])([H:11])[H:12])[H:10],"InChI=1S/C4H8O2/c1-6-4-2-3(4)5/h3-5H,2H2,1H3/t3-,4+/m1/s1","InChI=1S/C3H4O2.CH4/c4-2-1-3-5;/h2-3H,1H2;1H4",45.902879999999996,-20.02903,
8161,[C:1]([O:2][C@@:3]1([H:10])[C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])([H:7])([H:8])[H:9],[C:1]([O:2][C:3]([C:4]([C:5][O:6][H:14])([H:11])[H:12])([H:10])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-6-4-2-3(4)5/h3-5H,2H2,1H3/t3-,4+/m1/s1","InChI=1S/C4H8O2/c1-6-4-2-3-5/h5H,2,4H2,1H3",54.95565,36.1556,
8162,[C:1]([O:2][C@@:3]1([H:10])[C:4]([H:11])([H:12])[C@:5]1([O:6][H:14])[H:13])([H:7])([H:8])[H:9],[C:1]([O:2][C@@:3]([C:4]([O:6][H:14])([H:11])[H:12])([C:5][H:13])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-6-4-2-3(4)5/h3-5H,2H2,1H3/t3-,4+/m1/s1","InChI=1S/C4H8O2/c1-4(3-5)6-2/h1,4-5H,3H2,2H3/t4-/m1/s1",87.22278,77.92576,
8163,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])=[C:5]([H:10])[N:6]1[H:11],[C:3](=[C:4](/[C:5](=[N:6]/[H:11])[H:10])[H:9])([H:7])[H:8].[O+:1]#[C-:2],"InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h1,3H,2H2,(H,5,6)","InChI=1S/C3H5N.CO/c1-2-3-4;1-2/h2-4H,1H2;/b4-3+;",49.9698,29.56408,
8164,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])=[C:5]([H:10])[N:6]1[H:11],[O:1]=[C:2]([C:3]([C:4](=[C:5])[H:9])([H:7])[H:8])[N:6]([H:10])[H:11],"InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h1,3H,2H2,(H,5,6)","InChI=1S/C4H5NO/c1-2-3-4(5)6/h2H,3H2,(H2,5,6)",86.50350999999999,78.44901999999999,
8165,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])=[C:5]([H:10])[N:6]1[H:11],[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])=[C-:5][N+:6]1([H:10])[H:11],"InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h1,3H,2H2,(H,5,6)","InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h1H,2,5H2",86.49164,75.07231999999999,
8166,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])=[C:5]([H:10])[N:6]1[H:11],[O:1]=[C:2]1[C:3]([H:7])([H:8])[C@@:4]1(/[C:5](=[N:6]/[H:11])[H:10])[H:9],"InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h1,3H,2H2,(H,5,6)","InChI=1S/C4H5NO/c5-2-3-1-4(3)6/h2-3,5H,1H2/b5-2+/t3-/m1/s1",61.02027,43.742940000000004,
8167,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])=[C:5]([H:10])[N:6]1[H:11],[O-:1][C:2]1=[C:3]([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])=[N+:6]1[H:11],"InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h1,3H,2H2,(H,5,6)","InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h2-3,6H,1H2",47.00476,29.040540000000004,
8168,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])=[C:5]([H:10])[N:6]1[H:11],[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:11])[C:5]([H:10])=[N:6]1,"InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h1,3H,2H2,(H,5,6)","InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h3H,1-2H2",72.67349,5.99852,
8169,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])=[C:5]([H:10])[N:6]1[H:11],[O:1]([C:2]1=[N:6][C:5]([H:10])=[C:4]([H:9])[C:3]1([H:7])[H:8])[H:11],"InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h1,3H,2H2,(H,5,6)","InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h1,3H,2H2,(H,5,6)",47.39795,10.523769999999999,ketoenol
8170,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])=[C:5]([H:10])[N:6]1[H:11],[O:1]=[C:2](/[C:3](=[C:4]([C:5](=[N:6]\[H:11])\[H:10])/[H:9])[H:7])[H:8],"InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h1,3H,2H2,(H,5,6)","InChI=1S/C4H5NO/c5-3-1-2-4-6/h1-5H/b2-1-,5-3+",50.169090000000004,28.24574,
8171,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])=[C:5]([H:10])[N:6]1[H:11],[O:1]1/[C:2](=[N:6]\[H:11])[C:3]([H:7])([H:8])[C:4]([H:9])=[C:5]1[H:10],"InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h1,3H,2H2,(H,5,6)","InChI=1S/C4H5NO/c5-4-2-1-3-6-4/h1,3,5H,2H2/b5-4-",113.61381000000002,16.159229999999997,ketoenol
8172,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])=[C:5]([H:10])[N:6]1[H:11],[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])([H:10])[C-:5]=[N+:6]1[H:11],"InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h1,3H,2H2,(H,5,6)","InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h5H,1-2H2",59.1443,38.67843,Singlet_Carbene_Intra_Disproportionation
8173,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])=[C:5]([H:10])[N:6]1[H:11],[O:1]([C+:2]1[C:3]([H:7])([H:8])[C:4]([H:9])=[C-:5][N:6]1[H:11])[H:10],"InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h1,3H,2H2,(H,5,6)","InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h1,5-6H,2H2",127.51218,74.71669,
8174,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])=[C:5]([H:10])[N:6]1[H:11],[O:1]([c:2]1[c:3]([H:7])[c:4]([H:9])[c:5]([H:10])[n:6]1[H:11])[H:8],"InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h1,3H,2H2,(H,5,6)","InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h1-3,5-6H",66.9848,6.5359300000000005,ketoenol
8175,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])=[C:5]([H:10])[N:6]1[H:11],[C:3]1([H:7])([H:8])[C:4]([H:9])=[C:5]1[H:10].[O:1]=[C:2]=[N:6][H:11],"InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h1,3H,2H2,(H,5,6)","InChI=1S/C3H4.CHNO/c1-2-3-1;2-1-3/h1-2H,3H2;2H",108.71068999999999,56.67906,
8176,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])=[C:5]([H:10])[N:6]1[H:11],[C:4](#[C:5][H:10])[H:9].[O:1]1/[C:2](=[N:6]\[H:11])[C:3]1([H:7])[H:8],"InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h1,3H,2H2,(H,5,6)","InChI=1S/C2H3NO.C2H2/c3-2-1-4-2;1-2/h3H,1H2;1-2H/b3-2-;",106.30596000000001,89.87494000000001,
8177,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])=[C:5]([H:10])[N:6]1[H:11],[O:1]([C+:2]1[C:3]([H:7])([H:8])[C-:4]=[C:5]([H:10])[N:6]1[H:11])[H:9],"InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h1,3H,2H2,(H,5,6)","InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h3,5-6H,2H2",130.59967,78.98347,
8178,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])=[C:5]([H:10])[N:6]1[H:11],[O:1]1[C@:4]2([H:9])[C:3]([H:7])([H:8])[C:2][N:6]([H:11])[C@:5]12[H:10],"InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h1,3H,2H2,(H,5,6)","InChI=1S/C4H5NO/c1-2-5-4-3(1)6-4/h3-5H,1H2/t3-,4-/m1/s1",144.36218,80.44882,
8179,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])=[C:5]([H:10])[N:6]1[H:11],[O:1]=[C:2]1[C@:5]([C:4](=[C:3]([H:7])[H:8])[H:9])([H:10])[N:6]1[H:11],"InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h1,3H,2H2,(H,5,6)","InChI=1S/C4H5NO/c1-2-3-4(6)5-3/h2-3H,1H2,(H,5,6)/t3-/m1/s1",73.99359,44.51727,
8180,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])=[C:5]([H:10])[N:6]1[H:11],[H:7][H:9].[O:1]=[C:2]1[C:3]([H:8])=[C:4]=[C:5]([H:10])[N:6]1[H:11],"InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h1,3H,2H2,(H,5,6)","InChI=1S/C4H3NO.H2/c6-4-2-1-3-5-4;/h2-3H,(H,5,6);1H",135.35199,84.10373,
8181,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])=[C:5]([H:10])[N:6]1[H:11],[C:3](=[C:4]=[C:5]([H:9])[H:10])([H:7])[H:8].[O:1]=[C:2]=[N:6][H:11],"InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h1,3H,2H2,(H,5,6)",InChI=1S/C3H4.CHNO/c1-3-2;2-1-3/h1-2H2;2H,111.94306,32.54484,
8182,[O:1]=[C:2]1[C:3]([H:7])([H:8])[C:4]([H:9])=[C:5]([H:10])[N:6]1[H:11],[O:1]=[C:2]([N:6]([C:5](=[C:4]=[C:3]([H:7])[H:8])[H:10])[H:11])[H:9],"InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h1,3H,2H2,(H,5,6)","InChI=1S/C4H5NO/c1-2-3-5-4-6/h3-4H,1H2,(H,5,6)",125.67301,31.197979999999998,
8183,[O:1]=[C:2]([N:3]1[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])[H:7],[O:1]=[C:2]([N+:3]1([H:13])[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[C-:6]1[H:12])[H:7],"InChI=1S/C4H7NO/c6-4-5-2-1-3-5/h4H,1-3H2","InChI=1S/C4H7NO/c6-4-5-2-1-3-5/h2,4-5H,1,3H2",77.9141,70.56715,
8184,[O:1]=[C:2]([N:3]1[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])[H:7],[O:1]([C:2]([N:3]1[C:4]([H:8])=[C:5]([H:10])[C:6]1([H:12])[H:13])([H:7])[H:11])[H:9],"InChI=1S/C4H7NO/c6-4-5-2-1-3-5/h4H,1-3H2","InChI=1S/C4H7NO/c6-4-5-2-1-3-5/h1-2,6H,3-4H2",97.35363000000001,35.081,
8185,[O:1]=[C:2]([N:3]1[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])[H:7],[O:1]1[C:2]([H:7])=[N:3][C:6]([H:12])([H:13])[C:5]([H:10])([H:11])[C:4]1([H:8])[H:9],"InChI=1S/C4H7NO/c6-4-5-2-1-3-5/h4H,1-3H2","InChI=1S/C4H7NO/c1-2-5-4-6-3-1/h4H,1-3H2",59.83016,-6.72992,ketoenol
8186,[O:1]=[C:2]([N:3]1[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])[H:7],[O:1](/[C:2](=[N:3]\[C:4]([C:5](=[C:6]([H:12])[H:13])[H:10])([H:8])[H:9])[H:7])[H:11],"InChI=1S/C4H7NO/c6-4-5-2-1-3-5/h4H,1-3H2","InChI=1S/C4H7NO/c1-2-3-5-4-6/h2,4H,1,3H2,(H,5,6)",58.061719999999994,1.78425,
8187,[O:1]=[C:2]([N:3]1[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])[H:7],[O:1]=[C:2]([N+:3]1([H:11])[C:4]([H:8])([H:9])[C-:5]([H:10])[C:6]1([H:12])[H:13])[H:7],"InChI=1S/C4H7NO/c6-4-5-2-1-3-5/h4H,1-3H2","InChI=1S/C4H6NO/c6-4-5-2-1-3-5/h1,4H,2-3H2/q-1/p+1",86.54236999999999,85.39041999999999,
8188,[O:1]=[C:2]([N:3]1[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])[H:7],[N:3]1([H:7])[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13].[O+:1]#[C-:2],"InChI=1S/C4H7NO/c6-4-5-2-1-3-5/h4H,1-3H2","InChI=1S/C3H7N.CO/c1-2-4-3-1;1-2/h4H,1-3H2;",77.60748000000001,16.79726,"1,2_Insertion_CO"
8189,[O:1]=[C:2]([N:3]1[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])[H:7],[C:5](=[C:6]([H:12])[H:13])([H:10])[H:11].[O:1]=[C:2]=[N:3][C:4]([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c6-4-5-2-1-3-5/h4H,1-3H2",InChI=1S/C2H3NO.C2H4/c1-3-2-4;1-2/h1H3;1-2H2,74.44497,0.5735399999999999,
8190,[O:1]=[C:2]([N:3]1[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])[H:7],[O:1]=[C:2]([N:3]([C:4]([C:5]([C:6][H:13])([H:10])[H:11])([H:8])[H:9])[H:12])[H:7],"InChI=1S/C4H7NO/c6-4-5-2-1-3-5/h4H,1-3H2","InChI=1S/C4H7NO/c1-2-3-5-4-6/h1,4H,2-3H2,(H,5,6)",77.90397,77.1783,
8191,[O:1]=[C:2]([N:3]1[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])[H:7],[O:1]([C:2](=[N+:3]1[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[C-:6]1[H:12])[H:7])[H:13],"InChI=1S/C4H7NO/c6-4-5-2-1-3-5/h4H,1-3H2","InChI=1S/C4H7NO/c6-4-5-2-1-3-5/h2,4,6H,1,3H2",56.53139,51.8952,
8192,[O:1]=[C:2]([N:3]1[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])[H:7],[H:7][H:12].[N:3]1=[C:6]([H:13])[C:5]([H:10])([H:11])[C:4]1([H:8])[H:9].[O+:1]#[C-:2],"InChI=1S/C4H7NO/c6-4-5-2-1-3-5/h4H,1-3H2","InChI=1S/C3H5N.CO.H2/c1-2-4-3-1;1-2;/h2H,1,3H2;;1H",69.91859000000001,40.27169,
8193,[O:1]=[C:2]([N:3]1[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])[H:7],[C:5](=[C:6]([H:12])[H:13])([H:10])[H:11].[O:1]=[C:2]([N:3]=[C:4]([H:8])[H:9])[H:7],"InChI=1S/C4H7NO/c6-4-5-2-1-3-5/h4H,1-3H2","InChI=1S/C2H3NO.C2H4/c1-3-2-4;1-2/h2H,1H2;1-2H2",61.91686,22.55125,
8194,[O:1]=[C:2]([N:3]1[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])[H:7],[O:1]([C@:2]1([H:7])[N:3]2[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[C@:6]12[H:12])[H:13],"InChI=1S/C4H7NO/c6-4-5-2-1-3-5/h4H,1-3H2","InChI=1S/C4H7NO/c6-4-3-1-2-5(3)4/h3-4,6H,1-2H2/t3-,4+,5?/m1/s1",99.85682,36.225559999999994,
8195,[O:1]=[C:2]([N:3]1[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])[H:7],[H:8][H:13].[O:1]=[C:2]([N+:3]1=[C:6]([H:12])[C:5]([H:10])([H:11])[C-:4]1[H:9])[H:7],"InChI=1S/C4H7NO/c6-4-5-2-1-3-5/h4H,1-3H2","InChI=1S/C4H5NO.H2/c6-4-5-2-1-3-5;/h2-4H,1H2;1H",79.02786,76.90222,
8196,[O:1]=[C:2]([N:3]1[C:4]([H:8])([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])[H:7],[O:1]=[C:2]([N:3]([C:4]([C:5][H:10])([H:8])[H:9])[C:6]([H:11])([H:12])[H:13])[H:7],"InChI=1S/C4H7NO/c6-4-5-2-1-3-5/h4H,1-3H2","InChI=1S/C4H7NO/c1-3-5(2)4-6/h1,4H,3H2,2H3",83.62613,76.48491999999999,
8197,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]1([C:5](=[O:6])[H:14])[H:13])([H:7])([H:8])[H:9],[C:1]([C-:2]1[C:3]([H:11])([H:12])[C@:4]1([C:5]#[O+:6])[H:13])([H:7])([H:8])[H:9].[H:10][H:14],"InChI=1S/C5H8O/c1-4-2-5(4)3-6/h3-5H,2H2,1H3/t4-,5-/m0/s1","InChI=1S/C5H6O.H2/c1-4-2-5(4)3-6;/h5H,2H2,1H3;1H/t5-;/m0./s1",106.57668000000001,67.0889,
8198,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]1([C:5](=[O:6])[H:14])[H:13])([H:7])([H:8])[H:9],[C:1]([C@@:2]([C:4](=[C:3]([H:11])[H:12])[H:13])([C:5](=[O:6])[H:14])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-4-2-5(4)3-6/h3-5H,2H2,1H3/t4-,5-/m0/s1","InChI=1S/C5H8O/c1-3-5(2)4-6/h3-5H,1H2,2H3/t5-/m0/s1",64.31649,-2.30036,
8199,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]1([C:5](=[O:6])[H:14])[H:13])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])=[C:5]([H:14])[O:6]1)([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-4-2-5(4)3-6/h3-5H,2H2,1H3/t4-,5-/m0/s1","InChI=1S/C5H8O/c1-5-3-2-4-6-5/h2,4-5H,3H2,1H3/t5-/m0/s1",38.56842,-5.11373,ketoenol
8200,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]1([C:5](=[O:6])[H:14])[H:13])([H:7])([H:8])[H:9],[C:1]([C:2][C:3]([C:4]([C:5](=[O:6])[H:14])([H:10])[H:13])([H:11])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-4-2-5(4)3-6/h3-5H,2H2,1H3/t4-,5-/m0/s1","InChI=1S/C5H8O/c1-2-3-4-5-6/h5H,3-4H2,1H3",67.49243,69.73683,
8201,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]1([C:5](=[O:6])[H:14])[H:13])([H:7])([H:8])[H:9],[C:1]([C:5](=[O:6])[H:14])([H:7])([H:8])[H:9].[C:2]1([H:10])=[C:4]([H:13])[C:3]1([H:11])[H:12],"InChI=1S/C5H8O/c1-4-2-5(4)3-6/h3-5H,2H2,1H3/t4-,5-/m0/s1","InChI=1S/C3H4.C2H4O/c1-2-3-1;1-2-3/h1-2H,3H2;2H,1H3",95.56134,49.29487,
8202,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]1([C:5](=[O:6])[H:14])[H:13])([H:7])([H:8])[H:9],[C:1]([C:2][C@@:4]([C:3]([H:10])([H:11])[H:12])([C:5](=[O:6])[H:14])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-4-2-5(4)3-6/h3-5H,2H2,1H3/t4-,5-/m0/s1","InChI=1S/C5H8O/c1-3-5(2)4-6/h4-5H,1-2H3/t5-/m1/s1",68.77627,71.5141,
8203,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]1([C:5](=[O:6])[H:14])[H:13])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([C:4](=[C:5]=[O:6])[H:13])([H:11])[H:12])([H:10])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-4-2-5(4)3-6/h3-5H,2H2,1H3/t4-,5-/m0/s1","InChI=1S/C5H8O/c1-2-3-4-5-6/h4H,2-3H2,1H3",43.109159999999996,-6.74603,
8204,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]1([C:5](=[O:6])[H:14])[H:13])([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:13].[C:2]1([H:10])=[C:4]([C:5](=[O:6])[H:14])[C:3]1([H:11])[H:12],"InChI=1S/C5H8O/c1-4-2-5(4)3-6/h3-5H,2H2,1H3/t4-,5-/m0/s1","InChI=1S/C4H4O.CH4/c5-3-4-1-2-4;/h1,3H,2H2;1H4",94.06177,42.589420000000004,
8205,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]1([C:5](=[O:6])[H:14])[H:13])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])/[C:4]1=[C:5](/[O:6][H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-4-2-5(4)3-6/h3-5H,2H2,1H3/t4-,5-/m0/s1","InChI=1S/C5H8O/c1-4-2-5(4)3-6/h3-4,6H,2H2,1H3/b5-3-/t4-/m0/s1",65.14090999999999,17.91209,ketoenol
8206,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]1([C:5](=[O:6])[H:14])[H:13])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[O:6][C:5]([H:14])=[C:4]1[H:13])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-4-2-5(4)3-6/h3-5H,2H2,1H3/t4-,5-/m0/s1","InChI=1S/C5H8O/c1-5-2-3-6-4-5/h2-3,5H,4H2,1H3/t5-/m1/s1",41.42161,-2.3229900000000003,ketoenol
8207,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]1([C:5](=[O:6])[H:14])[H:13])([H:7])([H:8])[H:9],[C-:5]#[O+:6].[C:1]([C:2]1([H:10])[C:3]([H:12])=[C:4]1[H:13])([H:7])([H:8])[H:9].[H:11][H:14],"InChI=1S/C5H8O/c1-4-2-5(4)3-6/h3-5H,2H2,1H3/t4-,5-/m0/s1","InChI=1S/C4H6.CO.H2/c1-4-2-3-4;1-2;/h2-4H,1H3;;1H",78.90226,56.174969999999995,
8208,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]1([C:5](=[O:6])[H:14])[H:13])([H:7])([H:8])[H:9],[C:1](/[C:2](=[C:4](\[C:3]([C:5](=[O:6])[H:14])([H:11])[H:12])[H:13])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-4-2-5(4)3-6/h3-5H,2H2,1H3/t4-,5-/m0/s1","InChI=1S/C5H8O/c1-2-3-4-5-6/h2-3,5H,4H2,1H3/b3-2-",68.61726,-3.87267,
8209,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]1([C:5](=[O:6])[H:14])[H:13])([H:7])([H:8])[H:9],[C:1]1([H:9])=[C:2]([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])=[C:5]([H:14])[O:6]1.[H:7][H:8],"InChI=1S/C5H8O/c1-4-2-5(4)3-6/h3-5H,2H2,1H3/t4-,5-/m0/s1","InChI=1S/C5H6O.H2/c1-2-4-6-5-3-1;/h2-5H,1H2;1H",100.94565,19.32144,
8210,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]1([C:5](=[O:6])[H:14])[H:13])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]1=[C:5]=[O:6])([H:7])([H:8])[H:9].[H:13][H:14],"InChI=1S/C5H8O/c1-4-2-5(4)3-6/h3-5H,2H2,1H3/t4-,5-/m0/s1","InChI=1S/C5H6O.H2/c1-4-2-5(4)3-6;/h4H,2H2,1H3;1H/t4-;/m0./s1",78.96964,32.880590000000005,
8211,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]1([C:5](=[O:6])[H:14])[H:13])([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:11].[C:2]1([H:10])=[C:3]([H:12])[C:4]1([C:5](=[O:6])[H:14])[H:13],"InChI=1S/C5H8O/c1-4-2-5(4)3-6/h3-5H,2H2,1H3/t4-,5-/m0/s1",InChI=1S/C4H4O.CH4/c5-3-4-1-2-4;/h1-4H;1H4,115.51288000000001,40.85184,
8212,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]1([C:5](=[O:6])[H:14])[H:13])([H:7])([H:8])[H:9],[C:1](=[C:2]([C:3]([C@:4]1([H:13])[C:5]([H:9])([H:14])[O:6]1)([H:11])[H:12])[H:10])([H:7])[H:8],"InChI=1S/C5H8O/c1-4-2-5(4)3-6/h3-5H,2H2,1H3/t4-,5-/m0/s1","InChI=1S/C5H8O/c1-2-3-5-4-6-5/h2,5H,1,3-4H2/t5-/m1/s1",80.12865,21.10046,
8213,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]1([C:5](=[O:6])[H:14])[H:13])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@@:4]2([H:13])[C@:5]1([H:14])[O:6]2)([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-4-2-5(4)3-6/h3-5H,2H2,1H3/t4-,5-/m0/s1","InChI=1S/C5H8O/c1-3-2-4-5(3)6-4/h3-5H,2H2,1H3/t3-,4-,5+/m0/s1",66.08596999999999,26.0168,
8214,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]1([C:5](=[O:6])[H:14])[H:13])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]1([O+:6]=[C-:5][H:14])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-4-2-5(4)3-6/h3-5H,2H2,1H3/t4-,5-/m0/s1","InChI=1S/C5H8O/c1-4-3-5(4)6-2/h2,4-5H,3H2,1H3/t4-,5+/m0/s1",114.34175,71.50783,
8215,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]1([C:5](=[O:6])[H:14])[H:13])([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:10].[C:2]1[C:3]([H:11])([H:12])[C@:4]1([C:5](=[O:6])[H:14])[H:13],"InChI=1S/C5H8O/c1-4-2-5(4)3-6/h3-5H,2H2,1H3/t4-,5-/m0/s1","InChI=1S/C4H4O.CH4/c5-3-4-1-2-4;/h3-4H,1H2;1H4/t4-;/m1./s1",85.91725,91.20963,
8216,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]1([C:5](=[O:6])[H:14])[H:13])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]1([C:5][O:6][H:14])[H:13])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-4-2-5(4)3-6/h3-5H,2H2,1H3/t4-,5-/m0/s1","InChI=1S/C5H8O/c1-4-2-5(4)3-6/h4-6H,2H2,1H3/t4-,5-/m0/s1",78.38287,51.885979999999996,
8217,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]1([C:5](=[O:6])[H:14])[H:13])([H:7])([H:8])[H:9],[C:1](=[C:2]([H:9])[H:10])([H:7])[H:8].[C:3](=[C:4]([C:5](=[O:6])[H:14])[H:13])([H:11])[H:12],"InChI=1S/C5H8O/c1-4-2-5(4)3-6/h3-5H,2H2,1H3/t4-,5-/m0/s1","InChI=1S/C3H4O.C2H4/c1-2-3-4;1-2/h2-3H,1H2;1-2H2",90.11399,18.000239999999998,
8218,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]1([C:5](=[O:6])[H:14])[H:13])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:11])([H:12])[H:14])([C:4](=[C:5]=[O:6])[H:13])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-4-2-5(4)3-6/h3-5H,2H2,1H3/t4-,5-/m0/s1","InChI=1S/C5H8O/c1-5(2)3-4-6/h3,5H,1-2H3",46.43084,-8.07731,
8219,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]1([C:5](=[O:6])[H:14])[H:13])([H:7])([H:8])[H:9],[C:1](/[C:2](=[C:3]([C:4](=[C:5](/[O:6][H:11])[H:14])\[H:13])/[H:12])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C5H8O/c1-4-2-5(4)3-6/h3-5H,2H2,1H3/t4-,5-/m0/s1","InChI=1S/C5H8O/c1-2-3-4-5-6/h2-6H,1H3/b3-2-,5-4-",43.263220000000004,-4.57636,
8220,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@:4]1([C:5](=[O:6])[H:14])[H:13])([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C-:3]([H:11])[C@:4]1([C:5]#[O+:6])[H:13])([H:7])([H:8])[H:9].[H:12][H:14],"InChI=1S/C5H8O/c1-4-2-5(4)3-6/h3-5H,2H2,1H3/t4-,5-/m0/s1","InChI=1S/C5H6O.H2/c1-4-2-5(4)3-6;/h2,4-5H,1H3;1H/t4-,5-;/m0./s1",103.58349,72.76084,
8221,[O:1]=[C:2]([O:3][C:4]1([H:8])[C:5]([H:9])([H:10])[C:6]1([H:11])[H:12])[H:7],[O:1]([C-:2]=[O+:3][C:4]1([H:8])[C:5]([H:9])([H:10])[C:6]1([H:11])[H:12])[H:7],"InChI=1S/C4H6O2/c5-3-6-4-1-2-4/h3-4H,1-2H2","InChI=1S/C4H6O2/c5-3-6-4-1-2-4/h4-5H,1-2H2",75.52784,44.233470000000004,
8222,[O:1]=[C:2]([O:3][C:4]1([H:8])[C:5]([H:9])([H:10])[C:6]1([H:11])[H:12])[H:7],[O:1]=[C:2]([H:7])[H:8].[O:3]=[C:4]1[C:5]([H:9])([H:10])[C:6]1([H:11])[H:12],"InChI=1S/C4H6O2/c5-3-6-4-1-2-4/h3-4H,1-2H2",InChI=1S/C3H4O.CH2O/c4-3-1-2-3;1-2/h1-2H2;1H2,68.42189,36.68955,
8223,[O:1]=[C:2]([O:3][C:4]1([H:8])[C:5]([H:9])([H:10])[C:6]1([H:11])[H:12])[H:7],[O:1]([C:2]([O:3][C:4]1([H:8])[C:5]([H:10])=[C:6]1[H:12])([H:7])[H:9])[H:11],"InChI=1S/C4H6O2/c5-3-6-4-1-2-4/h3-4H,1-2H2","InChI=1S/C4H6O2/c5-3-6-4-1-2-4/h1-2,4-5H,3H2",80.29633000000001,45.95128,
8224,[O:1]=[C:2]([O:3][C:4]1([H:8])[C:5]([H:9])([H:10])[C:6]1([H:11])[H:12])[H:7],[O:1]=[C:2]([C:6]([C:5]([C:4](=[O:3])[H:8])([H:9])[H:10])([H:11])[H:12])[H:7],"InChI=1S/C4H6O2/c5-3-6-4-1-2-4/h3-4H,1-2H2","InChI=1S/C4H6O2/c5-3-1-2-4-6/h3-4H,1-2H2",56.30734,-9.030489999999999,
8225,[O:1]=[C:2]([O:3][C:4]1([H:8])[C:5]([H:9])([H:10])[C:6]1([H:11])[H:12])[H:7],[O+:1]#[C-:2].[O:3]([C:4]1([H:8])[C:5]([H:9])([H:10])[C:6]1([H:11])[H:12])[H:7],"InChI=1S/C4H6O2/c5-3-6-4-1-2-4/h3-4H,1-2H2","InChI=1S/C3H6O.CO/c4-3-1-2-3;1-2/h3-4H,1-2H2;",61.2764,9.7082,"1,2_Insertion_CO"
8226,[O:1]=[C:2]([O:3][C:4]1([H:8])[C:5]([H:9])([H:10])[C:6]1([H:11])[H:12])[H:7],[O+:1]#[C-:2].[O:3]=[C:4]([C:5]([C:6]([H:7])([H:11])[H:12])([H:9])[H:10])[H:8],"InChI=1S/C4H6O2/c5-3-6-4-1-2-4/h3-4H,1-2H2","InChI=1S/C3H6O.CO/c1-2-3-4;1-2/h3H,2H2,1H3;",48.71734,-9.213560000000001,
8227,[O:1]=[C:2]([O:3][C:4]1([H:8])[C:5]([H:9])([H:10])[C:6]1([H:11])[H:12])[H:7],[O+:1]1=[C:2]([H:7])[O:3][C@@:4]([C:5]([H:9])([H:10])[H:11])([H:8])[C-:6]1[H:12],"InChI=1S/C4H6O2/c5-3-6-4-1-2-4/h3-4H,1-2H2","InChI=1S/C4H6O2/c1-4-2-5-3-6-4/h2-4H,1H3/t4-/m1/s1",65.25516,52.37437,
8228,[O:1]=[C:2]([O:3][C:4]1([H:8])[C:5]([H:9])([H:10])[C:6]1([H:11])[H:12])[H:7],[O:1]=[C:2]([O:3][C:4]([C:6]([C:5][H:9])([H:11])[H:12])([H:8])[H:10])[H:7],"InChI=1S/C4H6O2/c5-3-6-4-1-2-4/h3-4H,1-2H2","InChI=1S/C4H6O2/c1-2-3-6-4-5/h1,4H,2-3H2",73.2095,79.74750999999999,
8229,[O:1]=[C:2]([O:3][C:4]1([H:8])[C:5]([H:9])([H:10])[C:6]1([H:11])[H:12])[H:7],[C:4]1([H:8])=[C:6]([H:12])[C:5]1([H:9])[H:10].[O:1]([C:2](=[O:3])[H:7])[H:11],"InChI=1S/C4H6O2/c5-3-6-4-1-2-4/h3-4H,1-2H2","InChI=1S/C3H4.CH2O2/c1-2-3-1;2-1-3/h1-2H,3H2;1H,(H,2,3)",50.80296,34.307,Retroene
8230,[O:1]=[C:2]([O:3][C:4]1([H:8])[C:5]([H:9])([H:10])[C:6]1([H:11])[H:12])[H:7],[O:1]=[C:2]([H:7])[H:11].[O:3]=[C:4]([C:6](=[C:5]([H:9])[H:10])[H:12])[H:8],"InChI=1S/C4H6O2/c5-3-6-4-1-2-4/h3-4H,1-2H2","InChI=1S/C3H4O.CH2O/c1-2-3-4;1-2/h2-3H,1H2;1H2",64.0478,19.89136,
8231,[O:1]=[C:2]([O:3][C:4]1([H:8])[C:5]([H:9])([H:10])[C:6]1([H:11])[H:12])[H:7],[O:1]=[C:2]([O+:3]=[C-:4][C:6]([C:5]([H:8])([H:9])[H:10])([H:11])[H:12])[H:7],"InChI=1S/C4H6O2/c5-3-6-4-1-2-4/h3-4H,1-2H2","InChI=1S/C4H6O2/c1-2-3-6-4-5/h4H,2H2,1H3",57.482119999999995,48.776720000000005,
8232,[O:1]=[C:2]([O:3][C:4]1([H:8])[C:5]([H:9])([H:10])[C:6]1([H:11])[H:12])[H:7],[C:5](=[C:6]([H:11])[H:12])([H:9])[H:10].[O:1]=[C:2]([C:4](=[O:3])[H:8])[H:7],"InChI=1S/C4H6O2/c5-3-6-4-1-2-4/h3-4H,1-2H2",InChI=1S/C2H2O2.C2H4/c3-1-2-4;1-2/h1-2H;1-2H2,65.06051,22.485789999999998,
8233,[O:1]=[C:2]([O:3][C:4]1([H:8])[C:5]([H:9])([H:10])[C:6]1([H:11])[H:12])[H:7],[O:1]=[C:2]([C:6]([O:3][C:4](=[C:5]([H:9])[H:10])[H:8])([H:11])[H:12])[H:7],"InChI=1S/C4H6O2/c5-3-6-4-1-2-4/h3-4H,1-2H2","InChI=1S/C4H6O2/c1-2-6-4-3-5/h2-3H,1,4H2",97.30756,13.81192,
8234,[O:1]=[C:2]([O:3][C:4]1([H:8])[C:5]([H:9])([H:10])[C:6]1([H:11])[H:12])[H:7],[O:1]=[C:2]([O:3][C@:4]([C:5][H:10])([C:6]([H:9])([H:11])[H:12])[H:8])[H:7],"InChI=1S/C4H6O2/c5-3-6-4-1-2-4/h3-4H,1-2H2","InChI=1S/C4H6O2/c1-4(2)6-3-5/h1,3-4H,2H3/t4-/m1/s1",65.17344,71.99398000000001,
8235,[O:1]=[C:2]([O:3][C:4]1([H:8])[C:5]([H:9])([H:10])[C:6]1([H:11])[H:12])[H:7],[O:1]([C:2](=[O:3])[H:7])[C:6]([C:4](=[C:5]([H:9])[H:10])[H:8])([H:11])[H:12],"InChI=1S/C4H6O2/c5-3-6-4-1-2-4/h3-4H,1-2H2","InChI=1S/C4H6O2/c1-2-3-6-4-5/h2,4H,1,3H2",43.6185,-6.73287,
8236,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[O:4][C:5]([H:13])([H:14])[O:6]1)([H:7])([H:8])[H:9],[C:1](=[C:2]([C:3]([O:4][C:5]([O:6][H:8])([H:13])[H:14])([H:11])[H:12])[H:10])([H:7])[H:9],"InChI=1S/C4H8O2/c1-4-2-5-3-6-4/h4H,2-3H2,1H3/t4-/m0/s1","InChI=1S/C4H8O2/c1-2-3-6-4-5/h2,5H,1,3-4H2",58.317969999999995,7.36694,
8237,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[O:4][C:5]([H:13])([H:14])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C@@:2]([C:3]([O+:4]=[C-:5][H:13])([H:11])[H:12])([O:6][H:14])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-4-2-5-3-6-4/h4H,2-3H2,1H3/t4-/m0/s1","InChI=1S/C4H8O2/c1-4(5)3-6-2/h2,4-5H,3H2,1H3/t4-/m0/s1",68.37295999999999,57.94766,
8238,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[O:4][C:5]([H:13])([H:14])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[O:4]1)([H:7])([H:8])[H:9].[C:5](=[O:6])([H:13])[H:14],"InChI=1S/C4H8O2/c1-4-2-5-3-6-4/h4H,2-3H2,1H3/t4-/m0/s1","InChI=1S/C3H6O.CH2O/c1-3-2-4-3;1-2/h3H,2H2,1H3;1H2/t3-;/m0./s1",63.95211,30.50158,
8239,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[O:4][C:5]([H:13])([H:14])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C-:2]1[C:3]([H:11])([H:12])[O+:4]=[C:5]([H:14])[O:6]1)([H:7])([H:8])[H:9].[H:10][H:13],"InChI=1S/C4H8O2/c1-4-2-5-3-6-4/h4H,2-3H2,1H3/t4-/m0/s1","InChI=1S/C4H6O2.H2/c1-4-2-5-3-6-4;/h3H,2H2,1H3;1H",69.14444,69.89196,
8240,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[O:4][C:5]([H:13])([H:14])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C-:3]([H:12])[O+:4]=[C:5]([H:14])[O:6]1)([H:7])([H:8])[H:9].[H:11][H:13],"InChI=1S/C4H8O2/c1-4-2-5-3-6-4/h4H,2-3H2,1H3/t4-/m0/s1","InChI=1S/C4H6O2.H2/c1-4-2-5-3-6-4;/h2-4H,1H3;1H/t4-;/m0./s1",69.38226999999999,69.89024,
8241,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[O:4][C:5]([H:13])([H:14])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]([C:3](=[O:4])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9].[C:5](=[O:6])([H:13])[H:14],"InChI=1S/C4H8O2/c1-4-2-5-3-6-4/h4H,2-3H2,1H3/t4-/m0/s1","InChI=1S/C3H6O.CH2O/c1-2-3-4;1-2/h3H,2H2,1H3;1H2",53.61504,8.56038,
8242,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[O:4][C:5]([H:13])([H:14])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C@@:2]([C:3]([O:4][H:14])([H:11])[H:12])([O+:6]=[C-:5][H:13])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-4-2-5-3-6-4/h4H,2-3H2,1H3/t4-/m0/s1","InChI=1S/C4H8O2/c1-4(3-5)6-2/h2,4-5H,3H2,1H3/t4-/m0/s1",67.48442,57.2633,
8243,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[O:4][C:5]([H:13])([H:14])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]1=[C:3]([H:11])[O:4][C:5]([H:13])([H:14])[O:6]1)([H:7])([H:8])[H:9].[H:10][H:12],"InChI=1S/C4H8O2/c1-4-2-5-3-6-4/h4H,2-3H2,1H3/t4-/m0/s1","InChI=1S/C4H6O2.H2/c1-4-2-5-3-6-4;/h2H,3H2,1H3;1H",88.90923000000001,25.340870000000002,
8244,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[O:4][C:5]([H:13])([H:14])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]([H:11])[H:12])[O:6][C:5]([O:4][H:10])([H:13])[H:14])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-4-2-5-3-6-4/h4H,2-3H2,1H3/t4-/m0/s1","InChI=1S/C4H8O2/c1-4(2)6-3-5/h5H,1,3H2,2H3",64.88783000000001,-1.8680900000000003,
8245,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[O:4][C:5]([H:13])([H:14])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([H:10])([H:11])[H:12])=[O:6])([H:7])([H:8])[H:9].[O:4]=[C:5]([H:13])[H:14],"InChI=1S/C4H8O2/c1-4-2-5-3-6-4/h4H,2-3H2,1H3/t4-/m0/s1",InChI=1S/C3H6O.CH2O/c1-3(2)4;1-2/h1-2H3;1H2,64.77571,0.93474,
8246,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[O:4][C:5]([H:13])([H:14])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C-:3]=[O+:4][C:5]([H:13])([H:14])[O:6]1)([H:7])([H:8])[H:9].[H:11][H:12],"InChI=1S/C4H8O2/c1-4-2-5-3-6-4/h4H,2-3H2,1H3/t4-/m0/s1","InChI=1S/C4H6O2.H2/c1-4-2-5-3-6-4;/h4H,3H2,1H3;1H/t4-;/m0./s1",73.06824,63.41458000000001,
8247,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[O:4][C:5]([H:13])([H:14])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]([O:6][C:5]([O+:4]=[C-:3][H:11])([H:13])[H:14])([H:10])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H8O2/c1-4-2-5-3-6-4/h4H,2-3H2,1H3/t4-/m0/s1","InChI=1S/C4H8O2/c1-3-6-4-5-2/h2H,3-4H2,1H3",70.00785,65.67935,
8248,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[O:4][C:5]([H:13])([H:14])[O:6]1)([H:7])([H:8])[H:9],[C-:2]1=[O+:6][C:5]([H:13])([H:14])[O:4][C:3]1([H:11])[H:12].[C:1]([H:7])([H:8])([H:9])[H:10],"InChI=1S/C4H8O2/c1-4-2-5-3-6-4/h4H,2-3H2,1H3/t4-/m0/s1","InChI=1S/C3H4O2.CH4/c1-2-5-3-4-1;/h1,3H2;1H4",69.98607,53.35004,
8249,[C:1]([C:2]([C@@:3]([C:4]([H:13])([H:14])[H:15])([O:5][C:6]([H:16])([H:17])[H:18])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3](=[C:4]([H:14])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9].[H:13][H:17].[O:5]=[C:6]([H:16])[H:18],"InChI=1S/C5H12O/c1-4-5(2)6-3/h5H,4H2,1-3H3/t5-/m1/s1","InChI=1S/C4H8.CH2O.H2/c1-3-4-2;1-2;/h3H,1,4H2,2H3;1H2;1H",58.96411,38.78042,
8250,[C:1]([C:2]([C@@:3]([C:4]([H:13])([H:14])[H:15])([O:5][C:6]([H:16])([H:17])[H:18])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([H:7])([H:8])([H:9])[H:17].[C:2](=[C:3]([C:4]([H:13])([H:14])[H:15])[H:12])([H:10])[H:11].[O:5]=[C:6]([H:16])[H:18],"InChI=1S/C5H12O/c1-4-5(2)6-3/h5H,4H2,1-3H3/t5-/m1/s1","InChI=1S/C3H6.CH2O.CH4/c1-3-2;1-2;/h3H,1H2,2H3;1H2;1H4",90.55018000000001,24.60015,
8251,[C:1]([C:2]([C@@:3]([C:4]([H:13])([H:14])[H:15])([O:5][C:6]([H:16])([H:17])[H:18])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C-:3]([C:4]([H:13])([H:14])[H:15])=[O+:5][C:6]([H:16])([H:17])[H:18].[C:1]([C:2]([H:10])([H:11])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C5H12O/c1-4-5(2)6-3/h5H,4H2,1-3H3/t5-/m1/s1",InChI=1S/C3H6O.C2H6/c1-3-4-2;1-2/h1-2H3;1-2H3,70.03734,61.31652,
8252,[C:1]([C:2]([C@@:3]([C:4]([H:13])([H:14])[H:15])([O:5][C:6]([H:16])([H:17])[H:18])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3][H:12])([H:10])[H:11])([H:7])([H:8])[H:9].[C:4]([O:5][C:6]([H:16])([H:17])[H:18])([H:13])([H:14])[H:15],"InChI=1S/C5H12O/c1-4-5(2)6-3/h5H,4H2,1-3H3/t5-/m1/s1","InChI=1S/C3H6.C2H6O/c2*1-3-2/h1H,3H2,2H3;1-2H3",112.14625,31.148609999999998,
8253,[C:1]([C:2]([C@@:3]([C:4]([H:13])([H:14])[H:15])([O:5][C:6]([H:16])([H:17])[H:18])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3](=[O+:5][C-:6]([H:16])[H:18])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9].[C:4]([H:13])([H:14])([H:15])[H:17],"InChI=1S/C5H12O/c1-4-5(2)6-3/h5H,4H2,1-3H3/t5-/m1/s1","InChI=1S/C4H8O.CH4/c1-3-4-5-2;/h4H,2-3H2,1H3;1H4",74.31735,61.21865,
8254,[C:1]([C:2]([C@@:3]([C:4]([H:13])([H:14])[H:15])([O:5][C:6]([H:16])([H:17])[H:18])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](/[C:2](=[C:3](/[C:4]([H:13])([H:14])[H:15])[H:12])[H:11])([H:7])([H:8])[H:9].[H:10][H:17].[O:5]=[C:6]([H:16])[H:18],"InChI=1S/C5H12O/c1-4-5(2)6-3/h5H,4H2,1-3H3/t5-/m1/s1","InChI=1S/C4H8.CH2O.H2/c1-3-4-2;1-2;/h3-4H,1-2H3;1H2;1H/b4-3+;;",57.27505,35.4182,
8255,[C:1]([C:2]([C@@:3]([C:4]([H:13])([H:14])[H:15])([O:5][C:6]([H:16])([H:17])[H:18])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([C:3]([C:4]([H:13])([H:14])[H:15])=[O+:5][C-:6]([H:16])[H:18])([H:10])[H:11])([H:7])([H:8])[H:9].[H:12][H:17],"InChI=1S/C5H12O/c1-4-5(2)6-3/h5H,4H2,1-3H3/t5-/m1/s1","InChI=1S/C5H10O.H2/c1-4-5(2)6-3;/h3-4H2,1-2H3;1H",65.2068,67.37351,
8256,[C:1]([C:2]([C@@:3]([C:4]([H:13])([H:14])[H:15])([O:5][C:6]([H:16])([H:17])[H:18])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C-:1]([C:2]([C:3](=[O+:5][C:6]([H:16])([H:17])[H:18])[H:12])([H:10])[H:11])([H:7])[H:9].[C:4]([H:8])([H:13])([H:14])[H:15],"InChI=1S/C5H12O/c1-4-5(2)6-3/h5H,4H2,1-3H3/t5-/m1/s1","InChI=1S/C4H8O.CH4/c1-3-4-5-2;/h4H,1,3H2,2H3;1H4",91.29634,88.45534,
8257,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])/[C:4](=[N:5]/[H:13])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C:2](=[C:3]([H:11])[H:12])[H:10])([H:7])([H:8])[H:9].[C:4](=[N:5][H:13])=[O:6],"InChI=1S/C4H7NO/c1-3-2-4(5)6-3/h3,5H,2H2,1H3/b5-4-/t3-/m0/s1","InChI=1S/C3H6.CHNO/c1-3-2;2-1-3/h3H,1H2,2H3;2H",38.4901,-6.07512,2+2_cycloaddition
8258,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])/[C:4](=[N:5]/[H:13])[O:6]1)([H:7])([H:8])[H:9],[C-:2]1=[O+:6]/[C:4](=[N:5]\[H:13])[C:3]1([H:11])[H:12].[C:1]([H:7])([H:8])([H:9])[H:10],"InChI=1S/C4H7NO/c1-3-2-4(5)6-3/h3,5H,2H2,1H3/b5-4-/t3-/m0/s1","InChI=1S/C3H3NO.CH4/c4-3-1-2-5-3;/h4H,1H2;1H4/b4-3-;",79.97327,69.71856,
8259,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])/[C:4](=[N:5]/[H:13])[O:6]1)([H:7])([H:8])[H:9],[C+:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@@:4]([N-:5][H:13])([H:7])[O:6]1)([H:8])[H:9],"InChI=1S/C4H7NO/c1-3-2-4(5)6-3/h3,5H,2H2,1H3/b5-4-/t3-/m0/s1","InChI=1S/C4H7NO/c1-3-2-4(5)6-3/h3-5H,1-2H2/t3-,4+/m0/s1",91.67851,91.67220999999999,
8260,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])/[C:4](=[N:5]/[H:13])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C:2](=[O:6])[H:10])([H:7])([H:8])[H:9].[C:3](=[C:4]=[N:5][H:13])([H:11])[H:12],"InChI=1S/C4H7NO/c1-3-2-4(5)6-3/h3,5H,2H2,1H3/b5-4-/t3-/m0/s1","InChI=1S/C2H3N.C2H4O/c2*1-2-3/h3H,1H2;2H,1H3",49.3475,21.842029999999998,2+2_cycloaddition
8261,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])/[C:4](=[N:5]/[H:13])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:12])=[C:4]([N:5]([H:11])[H:13])[O:6]1)([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-3-2-4(5)6-3/h3,5H,2H2,1H3/b5-4-/t3-/m0/s1","InChI=1S/C4H7NO/c1-3-2-4(5)6-3/h2-3H,5H2,1H3/t3-/m0/s1",80.73368,18.381829999999997,
8262,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])/[C:4](=[N:5]/[H:13])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C@@:2]([C:3]([C:4]#[N:5])([H:11])[H:12])([O:6][H:13])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-3-2-4(5)6-3/h3,5H,2H2,1H3/b5-4-/t3-/m0/s1","InChI=1S/C4H7NO/c1-4(6)2-3-5/h4,6H,2H2,1H3/t4-/m0/s1",62.05959,-9.57651,
8263,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])/[C:4](=[N:5]/[H:13])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C@:3]([C:2](=[O:6])[H:10])(/[C:4](=[N:5]/[H:13])[H:11])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-3-2-4(5)6-3/h3,5H,2H2,1H3/b5-4-/t3-/m0/s1","InChI=1S/C4H7NO/c1-4(2-5)3-6/h2-5H,1H3/b5-2+/t4-/m0/s1",88.3441,1.6089799999999999,
8264,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])/[C:4](=[N:5]/[H:13])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[O:6]1)([H:7])([H:8])[H:9].[C:4]=[N:5][H:13],"InChI=1S/C4H7NO/c1-3-2-4(5)6-3/h3,5H,2H2,1H3/b5-4-/t3-/m0/s1","InChI=1S/C3H6O.CHN/c1-3-2-4-3;1-2/h3H,2H2,1H3;2H/t3-;/m0./s1",91.73618,53.00236999999999,
8265,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])/[C:4](=[N:5]/[H:13])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C@@:2]([C:3](=[C:4]=[N:5][H:13])[H:11])([O:6][H:12])[H:10])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-3-2-4(5)6-3/h3,5H,2H2,1H3/b5-4-/t3-/m0/s1","InChI=1S/C4H7NO/c1-4(6)2-3-5/h2,4-6H,1H3/t4-/m0/s1",78.02943,11.96081,
8266,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])/[C:4](=[N:5]/[H:13])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C:2][H:10])([H:7])([H:8])[H:9].[C:3]1([H:11])([H:12])/[C:4](=[N:5]/[H:13])[O:6]1,"InChI=1S/C4H7NO/c1-3-2-4(5)6-3/h3,5H,2H2,1H3/b5-4-/t3-/m0/s1","InChI=1S/C2H3NO.C2H4/c3-2-1-4-2;1-2/h3H,1H2;1H,2H3/b3-2-;",117.73207,124.98461999999999,
8267,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])/[C:4](=[N:5]/[H:13])[O:6]1)([H:7])([H:8])[H:9],[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C@:3]1([H:12])/[C:4](=[N:5]/[H:13])[O:6]2.[H:7][H:11],"InChI=1S/C4H7NO/c1-3-2-4(5)6-3/h3,5H,2H2,1H3/b5-4-/t3-/m0/s1","InChI=1S/C4H5NO.H2/c5-4-2-1-3(2)6-4;/h2-3,5H,1H2;1H/b5-4-;/t2-,3+;/m1./s1",111.44858,48.738170000000004,
8268,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])/[C:4](=[N:5]/[H:13])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C@@:2]1([H:10])[C@:3]([C:4]#[N:5])([H:11])[O:6]1)([H:7])([H:8])[H:9].[H:12][H:13],"InChI=1S/C4H7NO/c1-3-2-4(5)6-3/h3,5H,2H2,1H3/b5-4-/t3-/m0/s1","InChI=1S/C4H5NO.H2/c1-3-4(2-5)6-3;/h3-4H,1H3;1H/t3-,4+;/m0./s1",107.52735,35.47129,
8269,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])/[C:4](=[N:5]/[H:13])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C:3](/[C:4](=[N:5]/[H:13])[O+:6]=[C-:2][H:10])([H:11])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-3-2-4(5)6-3/h3,5H,2H2,1H3/b5-4-/t3-/m0/s1","InChI=1S/C4H7NO/c1-3-4(5)6-2/h2,5H,3H2,1H3/b5-4-",115.45406000000001,62.661730000000006,
8270,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])/[C:4](=[N:5]/[H:13])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C:3]([C:2](=[O:6])[H:10])([H:11])[H:12])([H:7])([H:8])[H:9].[C:4]=[N:5][H:13],"InChI=1S/C4H7NO/c1-3-2-4(5)6-3/h3,5H,2H2,1H3/b5-4-/t3-/m0/s1","InChI=1S/C3H6O.CHN/c1-2-3-4;1-2/h3H,2H2,1H3;2H",93.01176,31.032940000000004,
8271,[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])/[C:4](=[N:5]/[H:13])[O:6]1)([H:7])([H:8])[H:9],[C:1]([C:2]([O:6][C:4]1=[C:3]([H:11])[N:5]1[H:13])([H:10])[H:12])([H:7])([H:8])[H:9],"InChI=1S/C4H7NO/c1-3-2-4(5)6-3/h3,5H,2H2,1H3/b5-4-/t3-/m0/s1","InChI=1S/C4H7NO/c1-2-6-4-3-5-4/h3,5H,2H2,1H3",79.56398,70.29772,
8272,[C:1]([C:2]([O:3]/[C:4](=[N:5]/[C:6]([H:13])([H:14])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2](/[C:4]([O:3][H:12])=[N:5]/[C:6]([H:13])([H:14])[H:15])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-3-6-4-5-2/h4H,3H2,1-2H3/b5-4+","InChI=1S/C4H9NO/c1-3-4(6)5-2/h3H2,1-2H3,(H,5,6)",106.62461,-10.96667,
8273,[C:1]([C:2]([O:3]/[C:4](=[N:5]/[C:6]([H:13])([H:14])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([N:5]([C:4](=[O:3])[H:12])[C:6]([H:13])([H:14])[H:15])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-3-6-4-5-2/h4H,3H2,1-2H3/b5-4+","InChI=1S/C4H9NO/c1-3-5(2)4-6/h4H,3H2,1-2H3",42.23572,-15.20851,ketoenol
8274,[C:1]([C:2]([O:3]/[C:4](=[N:5]/[C:6]([H:13])([H:14])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C-:4](=[N+:5]=[C:6]([H:13])[H:15])[H:12].[C:1]([C:2]([O:3][H:14])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-3-6-4-5-2/h4H,3H2,1-2H3/b5-4+","InChI=1S/C2H3N.C2H6O/c1-3-2;1-2-3/h1H,2H2;3H,2H2,1H3",77.4252,51.23709,
8275,[C:1]([C:2]([O:3]/[C:4](=[N:5]/[C:6]([H:13])([H:14])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C-:4]#[N+:5][C:6]([H:13])([H:14])[H:15].[C:1]([C:2](=[O:3])[H:10])([H:7])([H:8])[H:9].[H:11][H:12],"InChI=1S/C4H9NO/c1-3-6-4-5-2/h4H,3H2,1-2H3/b5-4+","InChI=1S/C2H3N.C2H4O.H2/c1-3-2;1-2-3;/h1H3;2H,1H3;1H",68.66403000000001,46.596059999999994,
8276,[C:1]([C:2]([O:3]/[C:4](=[N:5]/[C:6]([H:13])([H:14])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([O:3][C:4]([N:5]=[C:6]([H:13])[H:15])([H:12])[H:14])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-3-6-4-5-2/h4H,3H2,1-2H3/b5-4+","InChI=1S/C4H9NO/c1-3-6-4-5-2/h2-4H2,1H3",76.84543000000001,15.98419,
8277,[C:1]([C:2]([O:3]/[C:4](=[N:5]/[C:6]([H:13])([H:14])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([N:5]([C:4](=[O+:3][C-:2]([H:10])[H:11])[H:12])[C:6]([H:13])([H:14])[H:15])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-3-6-4-5-2/h4H,3H2,1-2H3/b5-4+","InChI=1S/C4H9NO/c1-5(2)4-6-3/h4H,3H2,1-2H3",86.84444,66.39395999999999,
8278,[C:1]([C:2]([O:3]/[C:4](=[N:5]/[C:6]([H:13])([H:14])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([O+:3]=[C:4]([N:5]([C-:6]([H:13])[H:15])[H:14])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-3-6-4-5-2/h4H,3H2,1-2H3/b5-4+","InChI=1S/C4H9NO/c1-3-6-4-5-2/h4-5H,2-3H2,1H3",75.21308,50.4955,
8279,[C:1]([C:2]([O:3]/[C:4](=[N:5]/[C:6]([H:13])([H:14])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1](=[C:2]([H:10])[H:11])([H:7])[H:9].[O:3]=[C:4]([N:5]([C:6]([H:13])([H:14])[H:15])[H:8])[H:12],"InChI=1S/C4H9NO/c1-3-6-4-5-2/h4H,3H2,1-2H3/b5-4+","InChI=1S/C2H5NO.C2H4/c1-3-2-4;1-2/h2H,1H3,(H,3,4);1-2H2",35.205659999999995,5.24019,Retroene
8280,[C:1]([C:2]([O:3]/[C:4](=[N:5]/[C:6]([H:13])([H:14])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([O+:3]=[C-:4][N:5]([C:6]([H:13])([H:14])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],"InChI=1S/C4H9NO/c1-3-6-4-5-2/h4H,3H2,1-2H3/b5-4+","InChI=1S/C4H9NO/c1-3-6-4-5-2/h5H,3H2,1-2H3",77.53609,42.086,
8281,[C:1]([C:2]([O:3]/[C:4](=[N:5]/[C:6]([H:13])([H:14])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C-:2](=[O+:3]/[C:4](=[N:5]/[C:6]([H:13])([H:14])[H:15])[H:12])[H:10].[C:1]([H:7])([H:8])([H:9])[H:11],"InChI=1S/C4H9NO/c1-3-6-4-5-2/h4H,3H2,1-2H3/b5-4+","InChI=1S/C3H5NO.CH4/c1-4-3-5-2;/h2-3H,1H3;1H4/b4-3+;",79.88672,79.1638,
8282,[C:1]([C:2]([O:3]/[C:4](=[N:5]/[C:6]([H:13])([H:14])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([O:3][C:6]([H:13])([H:14])[H:15])([H:10])[H:11])([H:7])([H:8])[H:9].[C:4](#[N:5])[H:12],"InChI=1S/C4H9NO/c1-3-6-4-5-2/h4H,3H2,1-2H3/b5-4+","InChI=1S/C3H8O.CHN/c1-3-4-2;1-2/h3H2,1-2H3;1H",82.19811999999999,20.22447,
8283,[C:1]([C:2]([O:3]/[C:4](=[N:5]/[C:6]([H:13])([H:14])[H:15])[H:12])([H:10])[H:11])([H:7])([H:8])[H:9],[C:1]([C:2]([O:3][C-:4]=[N+:5]=[C:6]([H:13])[H:15])([H:10])[H:11])([H:7])([H:8])[H:9].[H:12][H:14],"InChI=1S/C4H9NO/c1-3-6-4-5-2/h4H,3H2,1-2H3/b5-4+","InChI=1S/C4H7NO.H2/c1-3-6-4-5-2;/h2-3H2,1H3;1H",64.30747,59.676669999999994,
8284,[O:1]=[c:2]1[n:3]([H:7])[c:4]([H:8])[c:5]([H:9])[o:6]1,[O:1]=[C:2]1[N+:3]([H:7])([H:8])[C-:4]=[C:5]([H:9])[O:6]1,"InChI=1S/C3H3NO2/c5-3-4-1-2-6-3/h1-2H,(H,4,5)","InChI=1S/C3H3NO2/c5-3-4-1-2-6-3/h2H,4H2",87.40805999999999,70.85685,
8285,[O:1]=[c:2]1[n:3]([H:7])[c:4]([H:8])[c:5]([H:9])[o:6]1,[O:1]=[C:2]=[N:3][C:4]([C:5](=[O:6])[H:9])([H:7])[H:8],"InChI=1S/C3H3NO2/c5-3-4-1-2-6-3/h1-2H,(H,4,5)","InChI=1S/C3H3NO2/c5-2-1-4-3-6/h2H,1H2",59.20352,5.46888,
8286,[O:1]=[c:2]1[n:3]([H:7])[c:4]([H:8])[c:5]([H:9])[o:6]1,[O:1]=[C:2]1[C@@:5](/[C:4](=[N:3]/[H:7])[H:8])([H:9])[O:6]1,"InChI=1S/C3H3NO2/c5-3-4-1-2-6-3/h1-2H,(H,4,5)","InChI=1S/C3H3NO2/c4-1-2-3(5)6-2/h1-2,4H/b4-1+/t2-/m0/s1",73.59744,39.29908,
8287,[O:1]=[c:2]1[n:3]([H:7])[c:4]([H:8])[c:5]([H:9])[o:6]1,[N:3](=[C:4](/[C:5](=[O:6])[H:9])[H:8])\[H:7].[O+:1]#[C-:2],"InChI=1S/C3H3NO2/c5-3-4-1-2-6-3/h1-2H,(H,4,5)",InChI=1S/C2H3NO.CO/c3-1-2-4;1-2/h1-3H;/b3-1+;,50.95343,32.77394,
8288,[O:1]=[c:2]1[n:3]([H:7])[c:4]([H:8])[c:5]([H:9])[o:6]1,[N:3](=[C:4]=[C:5]([H:8])[H:9])[H:7].[O:1]=[C:2]=[O:6],"InChI=1S/C3H3NO2/c5-3-4-1-2-6-3/h1-2H,(H,4,5)","InChI=1S/C2H3N.CO2/c1-2-3;2-1-3/h3H,1H2;",69.81688,6.14084,
8289,[O:1]=[c:2]1[n:3]([H:7])[c:4]([H:8])[c:5]([H:9])[o:6]1,[C:4](=[C:5]=[O:6])([H:8])[H:9].[O:1]=[C:2]=[N:3][H:7],"InChI=1S/C3H3NO2/c5-3-4-1-2-6-3/h1-2H,(H,4,5)",InChI=1S/C2H2O.CHNO/c1-2-3;2-1-3/h1H2;2H,70.96134,14.717070000000001,
8290,[O:1]=[c:2]1[n:3]([H:7])[c:4]([H:8])[c:5]([H:9])[o:6]1,[O+:1]1=[C-:2][O:6][C:5]1(/[C:4](=[N:3]/[H:7])[H:8])[H:9],"InChI=1S/C3H3NO2/c5-3-4-1-2-6-3/h1-2H,(H,4,5)","InChI=1S/C3H3NO2/c4-1-3-5-2-6-3/h1,3-4H/b4-1+",100.48447,82.22509000000001,
8291,[O:1]=[c:2]1[n:3]([H:7])[c:4]([H:8])[c:5]([H:9])[o:6]1,[O:1]=[C:2]1[N:3]([H:7])[C:4]([H:8])([H:9])[C-:5]=[O+:6]1,"InChI=1S/C3H3NO2/c5-3-4-1-2-6-3/h1-2H,(H,4,5)","InChI=1S/C3H3NO2/c5-3-4-1-2-6-3/h1H2,(H,4,5)",60.86696,48.206109999999995,Singlet_Carbene_Intra_Disproportionation
8292,[O:1]=[c:2]1[n:3]([H:7])[c:4]([H:8])[c:5]([H:9])[o:6]1,[O:1]=[C:2]1[N:3]([H:7])[C@:4]1([C:5](=[O:6])[H:9])[H:8],"InChI=1S/C3H3NO2/c5-3-4-1-2-6-3/h1-2H,(H,4,5)","InChI=1S/C3H3NO2/c5-1-2-3(6)4-2/h1-2H,(H,4,6)/t2-/m0/s1",51.90939,41.1086,ketoenol
8293,[O:1]=[c:2]1[n:3]([H:7])[c:4]([H:8])[c:5]([H:9])[o:6]1,[O:1]([C:2]12[N:3]([H:7])[C:4]1([H:8])[C+:5]2[H:9])[O-:6],"InChI=1S/C3H3NO2/c5-3-4-1-2-6-3/h1-2H,(H,4,5)","InChI=1S/C3H3NO2/c5-6-3-1-2(3)4-3/h1-2,4H",150.19858,144.51719,
8294,[O:1]=[c:2]1[n:3]([H:7])[c:4]([H:8])[c:5]([H:9])[o:6]1,[N:3]1([H:7])[C:4]([H:8])=[C:5]1[H:9].[O:1]=[C:2]=[O:6],"InChI=1S/C3H3NO2/c5-3-4-1-2-6-3/h1-2H,(H,4,5)",InChI=1S/C2H3N.CO2/c1-2-3-1;2-1-3/h1-3H;,77.14773000000001,64.89296,
8295,[O:1]=[c:2]1[n:3]([H:7])[c:4]([H:8])[c:5]([H:9])[o:6]1,[O:1]=[C:2](/[N+:3](=[C:4](\[C-:5])[H:8])[H:7])[O:6][H:9],"InChI=1S/C3H3NO2/c5-3-4-1-2-6-3/h1-2H,(H,4,5)","InChI=1S/C3H2NO2/c1-2-4-3(5)6/h2H,(H,5,6)/q-1/p+1/b4-2-",83.16788000000001,81.40431,
8296,[O:1]=[c:2]1[n:3]([H:7])[c:4]([H:8])[c:5]([H:9])[o:6]1,[O:1]=[C:2]1[N+:3]([H:7])=[C-:4][C:5]([H:8])([H:9])[O:6]1,"InChI=1S/C3H3NO2/c5-3-4-1-2-6-3/h1-2H,(H,4,5)","InChI=1S/C3H3NO2/c5-3-4-1-2-6-3/h4H,2H2",55.3559,36.586659999999995,Singlet_Carbene_Intra_Disproportionation
8297,[O:1]=[c:2]1[n:3]([H:7])[c:4]([H:8])[c:5]([H:9])[o:6]1,[C:4](#[C:5][H:9])[H:8].[O:1]1[C:2](=[N:3][H:7])[O:6]1,"InChI=1S/C3H3NO2/c5-3-4-1-2-6-3/h1-2H,(H,4,5)",InChI=1S/C2H2.CHNO2/c1-2;2-1-3-4-1/h1-2H;2H,130.91227,136.57002,
8298,[O:1]=[c:2]1[n:3]([H:7])[c:4]([H:8])[c:5]([H:9])[o:6]1,[O:1]([c:2]1[n:3][c:4]([H:8])[c:5]([H:9])[o:6]1)[H:7],"InChI=1S/C3H3NO2/c5-3-4-1-2-6-3/h1-2H,(H,4,5)","InChI=1S/C3H3NO2/c5-3-4-1-2-6-3/h1-2H,(H,4,5)",51.3905,8.63428,ketoenol
8299,[O:1]=[c:2]1[n:3]([H:7])[c:4]([H:8])[c:5]([H:9])[o:6]1,[O:1]=[C:2](/[N:3]=[C:4](\[C:5](=[O:6])[H:9])[H:8])[H:7],"InChI=1S/C3H3NO2/c5-3-4-1-2-6-3/h1-2H,(H,4,5)",InChI=1S/C3H3NO2/c5-2-1-4-3-6/h1-3H/b4-1-,63.160509999999995,27.99077,
8300,[C:1]([O:2]/[C:3](=[N:4]/[C:5]([H:10])([H:11])[H:12])[H:9])([H:6])([H:7])[H:8],[C:1]([O+:2]=[C-:3][N:4]([C:5]([H:10])([H:11])[H:12])[H:9])([H:6])([H:7])[H:8],"InChI=1S/C3H7NO/c1-4-3-5-2/h3H,1-2H3/b4-3+","InChI=1S/C3H7NO/c1-4-3-5-2/h4H,1-2H3",77.77901,42.45198,
8301,[C:1]([O:2]/[C:3](=[N:4]/[C:5]([H:10])([H:11])[H:12])[H:9])([H:6])([H:7])[H:8],[C:1]([O+:2]=[C:3]([N:4]([C-:5]([H:11])[H:12])[H:10])[H:9])([H:6])([H:7])[H:8],"InChI=1S/C3H7NO/c1-4-3-5-2/h3H,1-2H3/b4-3+","InChI=1S/C3H7NO/c1-4-3-5-2/h3-4H,1H2,2H3",77.44708,46.50353,
8302,[C:1]([O:2]/[C:3](=[N:4]/[C:5]([H:10])([H:11])[H:12])[H:9])([H:6])([H:7])[H:8],[C-:1]([O+:2]=[C:3]([N:4]=[C:5]([H:11])[H:12])[H:9])([H:6])[H:7].[H:8][H:10],"InChI=1S/C3H7NO/c1-4-3-5-2/h3H,1-2H3/b4-3+","InChI=1S/C3H5NO.H2/c1-4-3-5-2;/h3H,1-2H2;1H",85.51695,75.56573,
8303,[C:1]([O:2]/[C:3](=[N:4]/[C:5]([H:10])([H:11])[H:12])[H:9])([H:6])([H:7])[H:8],[C:1]([O:2][C-:3]=[N+:4]=[C:5]([H:11])[H:12])([H:6])([H:7])[H:8].[H:9][H:10],"InChI=1S/C3H7NO/c1-4-3-5-2/h3H,1-2H3/b4-3+","InChI=1S/C3H5NO.H2/c1-4-3-5-2;/h1H2,2H3;1H",65.13989000000001,60.185109999999995,
8304,[C:1]([O:2]/[C:3](=[N:4]/[C:5]([H:10])([H:11])[H:12])[H:9])([H:6])([H:7])[H:8],[C:1]([N:4]([C:3](=[O:2])[H:9])[C:5]([H:10])([H:11])[H:12])([H:6])([H:7])[H:8],"InChI=1S/C3H7NO/c1-4-3-5-2/h3H,1-2H3/b4-3+","InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3",44.310759999999995,-16.569110000000002,ketoenol
8305,[C:1]([O:2]/[C:3](=[N:4]/[C:5]([H:10])([H:11])[H:12])[H:9])([H:6])([H:7])[H:8],[C-:3]#[N+:4][C:5]([H:10])([H:11])[H:12].[C:1]([O:2][H:9])([H:6])([H:7])[H:8],"InChI=1S/C3H7NO/c1-4-3-5-2/h3H,1-2H3/b4-3+","InChI=1S/C2H3N.CH4O/c1-3-2;1-2/h1H3;2H,1H3",66.39101,29.93968,
8306,[C:1]([O:2]/[C:3](=[N:4]/[C:5]([H:10])([H:11])[H:12])[H:9])([H:6])([H:7])[H:8],[C:1]([O:2][C:3]([N:4]=[C:5]([H:11])[H:12])([H:9])[H:10])([H:6])([H:7])[H:8],"InChI=1S/C3H7NO/c1-4-3-5-2/h3H,1-2H3/b4-3+","InChI=1S/C3H7NO/c1-4-3-5-2/h1,3H2,2H3",77.10549,16.09757,
8307,[O:1]=[c:2]1[o:3][c:4]([H:8])[c:5]([H:9])[c:6]([H:10])[c:7]1[H:11],[O:1]1[C:2]2=[C:7]([H:11])[C@@:6]1([H:10])[C:5]([H:9])=[C:4]([H:8])[O:3]2,InChI=1S/C5H4O2/c6-5-3-1-2-4-7-5/h1-4H,InChI=1S/C5H4O2/c1-2-6-5-3-4(1)7-5/h1-4H/t4-/m1/s1,124.2981,115.13408000000001,
8308,[O:1]=[c:2]1[o:3][c:4]([H:8])[c:5]([H:9])[c:6]([H:10])[c:7]1[H:11],[O:1]([c:2]1[o+:3][c-:4][c:5]([H:9])[c:6]([H:10])[c:7]1[H:11])[H:8],InChI=1S/C5H4O2/c6-5-3-1-2-4-7-5/h1-4H,"InChI=1S/C5H4O2/c6-5-3-1-2-4-7-5/h1-3,6H",121.5229,55.461830000000006,
8309,[O:1]=[c:2]1[o:3][c:4]([H:8])[c:5]([H:9])[c:6]([H:10])[c:7]1[H:11],[H:10][H:11].[O:1]=[c:2]1[o:3][c:4]([H:8])[c:5]([H:9])[c:6]#[c:7]1,InChI=1S/C5H4O2/c6-5-3-1-2-4-7-5/h1-4H,"InChI=1S/C5H2O2.H2/c6-5-3-1-2-4-7-5;/h2,4H;1H",109.45428000000001,87.12181,
8310,[O:1]=[c:2]1[o:3][c:4]([H:8])[c:5]([H:9])[c:6]([H:10])[c:7]1[H:11],[O:1]1[C@:2]23[O:3][C:4]([H:8])=[C:5]([H:9])[C@@:6]2([H:10])[C@:7]13[H:11],InChI=1S/C5H4O2/c6-5-3-1-2-4-7-5/h1-4H,"InChI=1S/C5H4O2/c1-2-6-5-3(1)4(5)7-5/h1-4H/t3-,4-,5+/m0/s1",105.37856000000001,99.48329,
8311,[O:1]=[c:2]1[o:3][c:4]([H:8])[c:5]([H:9])[c:6]([H:10])[c:7]1[H:11],[O:1]=[C:2]([c:7]1[o:3][c:4]([H:8])[c:5]([H:9])[c:6]1[H:10])[H:11],InChI=1S/C5H4O2/c6-5-3-1-2-4-7-5/h1-4H,InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H,69.18361,13.842929999999999,
8312,[O:1]=[c:2]1[o:3][c:4]([H:8])[c:5]([H:9])[c:6]([H:10])[c:7]1[H:11],[O:1]([C:2]1=[C:7]=[C:6]([H:10])[C:5]([H:9])=[C:4]([H:8])[O:3]1)[H:11],InChI=1S/C5H4O2/c6-5-3-1-2-4-7-5/h1-4H,"InChI=1S/C5H4O2/c6-5-3-1-2-4-7-5/h1-2,4,6H",69.88503,53.54544,ketoenol
8313,[O:1]=[c:2]1[o:3][c:4]([H:8])[c:5]([H:9])[c:6]([H:10])[c:7]1[H:11],[O:1]=[C:2]1[O+:3]=[C:4]([H:8])[C:5]([H:9])=[C-:6][C:7]1([H:10])[H:11],InChI=1S/C5H4O2/c6-5-3-1-2-4-7-5/h1-4H,"InChI=1S/C5H4O2/c6-5-3-1-2-4-7-5/h2,4H,3H2",81.44684000000001,71.98911,Singlet_Carbene_Intra_Disproportionation
8314,[O:1]=[c:2]1[o:3][c:4]([H:8])[c:5]([H:9])[c:6]([H:10])[c:7]1[H:11],[C:4](#[C:5][H:9])[H:8].[C:6](#[C:7][H:11])[H:10].[O:1]=[C:2]=[O:3],InChI=1S/C5H4O2/c6-5-3-1-2-4-7-5/h1-4H,InChI=1S/2C2H2.CO2/c2*1-2;2-1-3/h2*1-2H;,109.62965,75.8442,
8315,[O:1]=[c:2]1[o:3][c:4]([H:8])[c:5]([H:9])[c:6]([H:10])[c:7]1[H:11],[O:1]=[C:2]1[O+:3]=[C-:4][C:5]([H:8])([H:9])[C:6]([H:10])=[C:7]1[H:11],InChI=1S/C5H4O2/c6-5-3-1-2-4-7-5/h1-4H,"InChI=1S/C5H4O2/c6-5-3-1-2-4-7-5/h1,3H,2H2",75.81104,65.03709,Singlet_Carbene_Intra_Disproportionation
8316,[O:1]=[c:2]1[o:3][c:4]([H:8])[c:5]([H:9])[c:6]([H:10])[c:7]1[H:11],[O:1]([C:2]1=[O+:3][C-:4]([H:8])[C:5]([H:9])=[C:6]=[C:7]1[H:11])[H:10],InChI=1S/C5H4O2/c6-5-3-1-2-4-7-5/h1-4H,"InChI=1S/C5H4O2/c6-5-3-1-2-4-7-5/h2-4,6H",138.92371,67.29248,
8317,[O:1]=[c:2]1[o:3][c:4]([H:8])[c:5]([H:9])[c:6]([H:10])[c:7]1[H:11],[O:1]=[C:2]=[C:7](/[C:6](=[C:5](\[C:4][O:3][H:8])[H:9])[H:10])[H:11],InChI=1S/C5H4O2/c6-5-3-1-2-4-7-5/h1-4H,"InChI=1S/C5H4O2/c6-4-2-1-3-5-7/h1-3,6H/b2-1-",87.43299,74.20416999999999,
8318,[O:1]=[c:2]1[o:3][c:4]([H:8])[c:5]([H:9])[c:6]([H:10])[c:7]1[H:11],[O-:1][C:2]1=[C:7]([H:11])[C:6]([H:10])=[C+:5][C:4]([H:8])([H:9])[O:3]1,InChI=1S/C5H4O2/c6-5-3-1-2-4-7-5/h1-4H,"InChI=1S/C5H4O2/c6-5-3-1-2-4-7-5/h1,3H,4H2",78.20586999999999,74.1295,Singlet_Carbene_Intra_Disproportionation
8319,[O:1]=[c:2]1[o:3][c:4]([H:8])[c:5]([H:9])[c:6]([H:10])[c:7]1[H:11],[O:1]=[C:2]1[C@@:6]2([H:10])[C:5]([H:9])=[C:4]([H:8])[O:3][C@@:7]12[H:11],InChI=1S/C5H4O2/c6-5-3-1-2-4-7-5/h1-4H,"InChI=1S/C5H4O2/c6-4-3-1-2-7-5(3)4/h1-3,5H/t3-,5-/m1/s1",80.00284,60.19,
8320,[O:1]=[c:2]1[o:3][c:4]([H:8])[c:5]([H:9])[c:6]([H:10])[c:7]1[H:11],[O:1]=[C:2]([O:3]/[C:4](=[C:5](\[C:6](=[C:7])[H:10])[H:9])[H:8])[H:11],InChI=1S/C5H4O2/c6-5-3-1-2-4-7-5/h1-4H,InChI=1S/C5H4O2/c1-2-3-4-7-5-6/h2-5H/b4-3-,98.0568,104.01653,
8321,[O:1]=[c:2]1[o:3][c:4]([H:8])[c:5]([H:9])[c:6]([H:10])[c:7]1[H:11],[O:1]=[C:2]=[C:7](/[C:6](=[C:5](\[C:4](=[O:3])[H:8])[H:9])[H:10])[H:11],InChI=1S/C5H4O2/c6-5-3-1-2-4-7-5/h1-4H,InChI=1S/C5H4O2/c6-4-2-1-3-5-7/h1-4H/b2-1-,34.155409999999996,26.565179999999998,
8322,[O:1]=[c:2]1[o:3][c:4]([H:8])[c:5]([H:9])[c:6]([H:10])[c:7]1[H:11],[O:1]=[C:2]1[O:3][C:4]([H:8])=[C:5]=[C:6]([H:10])[C:7]1([H:9])[H:11],InChI=1S/C5H4O2/c6-5-3-1-2-4-7-5/h1-4H,"InChI=1S/C5H4O2/c6-5-3-1-2-4-7-5/h1,4H,3H2",115.30415,58.244730000000004,
8323,[O:1]=[c:2]1[o:3][c:4]([H:8])[c:5]([H:9])[c:6]([H:10])[c:7]1[H:11],[O:1]1[C:2](=[O:3])[C@:7]1([C:6]1([H:10])[C:4]([H:8])=[C:5]1[H:9])[H:11],InChI=1S/C5H4O2/c6-5-3-1-2-4-7-5/h1-4H,InChI=1S/C5H4O2/c6-5-4(7-5)3-1-2-3/h1-4H/t4-/m1/s1,98.8575,77.63901,
8324,[O:1]=[c:2]1[o:3][c:4]([H:8])[c:5]([H:9])[c:6]([H:10])[c:7]1[H:11],[O+:1]1=[C-:2][O:3][C:4]([H:8])=[C:5]([H:9])[C:6]([H:10])=[C:7]1[H:11],InChI=1S/C5H4O2/c6-5-3-1-2-4-7-5/h1-4H,InChI=1S/C5H4O2/c1-2-4-7-5-6-3-1/h1-4H,104.15793000000001,83.50301999999999,
8325,[O:1]=[c:2]1[o:3][c:4]([H:8])[c:5]([H:9])[c:6]([H:10])[c:7]1[H:11],[O+:1]#[C-:2].[o:3]1[c:4]([H:8])[c:5]([H:9])[c:6]([H:10])[c:7]1[H:11],InChI=1S/C5H4O2/c6-5-3-1-2-4-7-5/h1-4H,InChI=1S/C4H4O.CO/c1-2-4-5-3-1;1-2/h1-4H;,77.97142,19.09403,
8326,[O:1]=[c:2]1[o:3][c:4]([H:8])[c:5]([H:9])[c:6]([H:10])[c:7]1[H:11],[O:1]=[C:2]1[O:3][C:4]([H:8])=[C:5]([H:9])[C:6]1=[C:7]([H:10])[H:11],InChI=1S/C5H4O2/c6-5-3-1-2-4-7-5/h1-4H,"InChI=1S/C5H4O2/c1-4-2-3-7-5(4)6/h2-3H,1H2",113.00809,10.21908,
8327,[O:1]=[c:2]1[o:3][c:4]([H:8])[c:5]([H:9])[c:6]([H:10])[c:7]1[H:11],[O:1]=[C:2]1[O:3][C@@:5]([C:4][H:8])([H:9])[C:6]([H:10])=[C:7]1[H:11],InChI=1S/C5H4O2/c6-5-3-1-2-4-7-5/h1-4H,InChI=1S/C5H4O2/c1-4-2-3-5(6)7-4/h1-4H/t4-/m1/s1,102.64068,102.30434,
8328,[O:1]=[c:2]1[o:3][c:4]([H:8])[c:5]([H:9])[c:6]([H:10])[c:7]1[H:11],[O:1]([C:2]1=[C:7]([H:11])[C:6]([H:10])=[C:5]1[H:9])[C:4](=[O:3])[H:8],InChI=1S/C5H4O2/c6-5-3-1-2-4-7-5/h1-4H,InChI=1S/C5H4O2/c6-4-7-5-2-1-3-5/h1-4H,101.79543000000001,84.06474,
8329,[O:1]=[c:2]1[o:3][c:4]([H:8])[c:5]([H:9])[c:6]([H:10])[c:7]1[H:11],[H:9][H:10].[O:1]=[C:2]1[O:3][C:4]([H:8])=[C:5]=[C:6]=[C:7]1[H:11],InChI=1S/C5H4O2/c6-5-3-1-2-4-7-5/h1-4H,InChI=1S/C5H2O2.H2/c6-5-3-1-2-4-7-5;/h3-4H;1H,123.53061000000001,94.59599,
8330,[C:1]([C:2]([O:3][C:4](=[O:5])[C:6]([O:7][H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C-:2](=[O+:3][C:4](=[O:5])[C:6]([O:7][H:15])([H:13])[H:14])[H:11].[C:1]([H:8])([H:9])([H:10])[H:12],"InChI=1S/C4H8O3/c1-2-7-4(6)3-5/h5H,2-3H2,1H3","InChI=1S/C3H4O3.CH4/c1-6-3(5)2-4;/h1,4H,2H2;1H4",81.75473000000001,80.36099,
8331,[C:1]([C:2]([O:3][C:4](=[O:5])[C:6]([O:7][H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](=[C:2]([H:11])[H:12])([H:8])[H:10].[C:6]([O:7][H:15])([H:9])([H:13])[H:14].[O:3]=[C:4]=[O:5],"InChI=1S/C4H8O3/c1-2-7-4(6)3-5/h5H,2-3H2,1H3","InChI=1S/C2H4.CO2.CH4O/c1-2;2-1-3;1-2/h1-2H2;;2H,1H3",72.54173,12.48703,
8332,[C:1]([C:2]([O:3][C:4](=[O:5])[C:6]([O:7][H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](=[C:2]([H:11])[H:12])([H:8])[H:10].[O:3]=[C:4]([O:5][H:9])[C:6]([O:7][H:15])([H:13])[H:14],"InChI=1S/C4H8O3/c1-2-7-4(6)3-5/h5H,2-3H2,1H3","InChI=1S/C2H4O3.C2H4/c3-1-2(4)5;1-2/h3H,1H2,(H,4,5);1-2H2",40.007329999999996,16.600920000000002,Retroene
8333,[C:1]([C:2]([O:3][C:4](=[O:5])[C:6]([O:7][H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:4](=[O:5])[C:6]([O:7][H:15])([H:13])[H:14])([H:8])([H:9])[H:10].[C:2](=[O:3])([H:11])[H:12],"InChI=1S/C4H8O3/c1-2-7-4(6)3-5/h5H,2-3H2,1H3","InChI=1S/C3H6O2.CH2O/c1-3(5)2-4;1-2/h4H,2H2,1H3;1H2",84.05258,27.032259999999997,
8334,[C:1]([C:2]([O:3][C:4](=[O:5])[C:6]([O:7][H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([O:3][C@:4]1([O:5][H:15])[C:6]([H:13])([H:14])[O:7]1)([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H8O3/c1-2-7-4(6)3-5/h5H,2-3H2,1H3","InChI=1S/C4H8O3/c1-2-6-4(5)3-7-4/h5H,2-3H2,1H3/t4-/m1/s1",50.49742,34.4433,
8335,[C:1]([C:2]([O:3][C:4](=[O:5])[C:6]([O:7][H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]1([H:8])([H:10])[C:2]([H:11])([H:12])[O:3][C@:4]1([O:5][H:9])[C:6]([O:7][H:15])([H:13])[H:14],"InChI=1S/C4H8O3/c1-2-7-4(6)3-5/h5H,2-3H2,1H3","InChI=1S/C4H8O3/c5-3-4(6)1-2-7-4/h5-6H,1-3H2/t4-/m0/s1",91.21715999999999,27.334740000000004,
8336,[C:1]([C:2]([O:3][C:4](=[O:5])[C:6]([O:7][H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([O:3][H:14])([H:11])[H:12])([H:8])([H:9])[H:10].[C:4](=[O:5])=[C:6]([O:7][H:15])[H:13],"InChI=1S/C4H8O3/c1-2-7-4(6)3-5/h5H,2-3H2,1H3","InChI=1S/C2H2O2.C2H6O/c3-1-2-4;1-2-3/h1,3H;3H,2H2,1H3",68.31338000000001,45.39728,"1,3_Insertion_ROR"
8337,[C:1]([C:2]([O:3][C:4](=[O:5])[C:6]([O:7][H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([O:3]/[C:4]([O:5][H:15])=[C:6](/[O:7][H:14])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H8O3/c1-2-7-4(6)3-5/h5H,2-3H2,1H3","InChI=1S/C4H8O3/c1-2-7-4(6)3-5/h3,5-6H,2H2,1H3/b4-3+",66.59804,24.81481,ketoenol
8338,[C:1]([C:2]([O:3][C:4](=[O:5])[C:6]([O:7][H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:14].[C:2](=[O+:3][C:4]([O-:5])=[C:6]([O:7][H:15])[H:13])([H:11])[H:12],"InChI=1S/C4H8O3/c1-2-7-4(6)3-5/h5H,2-3H2,1H3","InChI=1S/C3H4O3.CH4/c1-6-3(5)2-4;/h2H,1H2,(H-,4,5);1H4",88.9454,52.4226,
8339,[C:1]([C:2]([O:3][C:4](=[O:5])[C:6]([O:7][H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2](=[O:3])[H:11])([H:8])([H:9])[H:10].[C:4](=[O:5])([C:6]([O:7][H:15])([H:13])[H:14])[H:12],"InChI=1S/C4H8O3/c1-2-7-4(6)3-5/h5H,2-3H2,1H3","InChI=1S/C2H4O2.C2H4O/c3-1-2-4;1-2-3/h1,4H,2H2;2H,1H3",64.83142,26.218529999999998,
8340,[C:1]([C:2]([O:3][C:4](=[O:5])[C:6]([O:7][H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([O:3][C@@:4]([O:5][H:15])([C:6](=[O:7])[H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H8O3/c1-2-7-4(6)3-5/h5H,2-3H2,1H3","InChI=1S/C4H8O3/c1-2-7-4(6)3-5/h3-4,6H,2H2,1H3/t4-/m1/s1",51.27534,24.3171,
8341,[C:1]([C:2]([O:3][C:4](=[O:5])[C:6]([O:7][H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([O:3][C:6]([C:4](=[O:5])[O:7][H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H8O3/c1-2-7-4(6)3-5/h5H,2-3H2,1H3","InChI=1S/C4H8O3/c1-2-7-3-4(5)6/h2-3H2,1H3,(H,5,6)",91.71167,1.5027700000000002,
8342,[C:1]([C:2]([O:3][C:4](=[O:5])[C:6]([O:7][H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[O:3][C@:4]1([O:5][H:12])[C:6]([O:7][H:15])([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C4H8O3/c1-2-7-4(6)3-5/h5H,2-3H2,1H3","InChI=1S/C4H8O3/c1-3-4(6,2-5)7-3/h3,5-6H,2H2,1H3/t3-,4-/m1/s1",88.90678,27.56774,
8343,[C:1]([C:2]([C@@:3]([O:4][H:14])([C:5]([C:6]([O:7][H:19])([H:17])[H:18])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3](=[O:4])[C:5]([C:6]([O:7][H:14])([H:17])[H:18])([H:15])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10].[H:13][H:19],"InChI=1S/C5H12O2/c1-2-5(7)3-4-6/h5-7H,2-4H2,1H3/t5-/m1/s1","InChI=1S/C5H10O2.H2/c1-2-5(7)3-4-6;/h6H,2-4H2,1H3;1H",46.51656,12.31455,
8344,[C:1]([C:2]([C@@:3]([O:4][H:14])([C:5]([C:6]([O:7][H:19])([H:17])[H:18])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3](=[C:5]([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10].[C:6](=[O:7])([H:17])[H:18].[O:4]([H:14])[H:19],"InChI=1S/C5H12O2/c1-2-5(7)3-4-6/h5-7H,2-4H2,1H3/t5-/m1/s1","InChI=1S/C4H8.CH2O.H2O/c1-3-4-2;1-2;/h3H,1,4H2,2H3;1H2;1H2",43.90749,31.9723,
8345,[C:1]([C:2]([C@@:3]([O:4][H:14])([C:5]([C:6]([O:7][H:19])([H:17])[H:18])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3](=[O:4])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10].[C:5](=[C:6]([H:17])[H:18])([H:15])[H:16].[O:7]([H:14])[H:19],"InChI=1S/C5H12O2/c1-2-5(7)3-4-6/h5-7H,2-4H2,1H3/t5-/m1/s1","InChI=1S/C3H6O.C2H4.H2O/c1-2-3-4;1-2;/h3H,2H2,1H3;1-2H2;1H2",43.771570000000004,26.54134,
8346,[C:1]([C:2]([C@@:3]([O:4][H:14])([C:5]([C:6]([O:7][H:19])([H:17])[H:18])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@:3]1([H:13])[C:5]([H:15])([H:16])[C:6]([H:17])([H:18])[O:7]1)([H:11])[H:12])([H:8])([H:9])[H:10].[O:4]([H:14])[H:19],"InChI=1S/C5H12O2/c1-2-5(7)3-4-6/h5-7H,2-4H2,1H3/t5-/m1/s1","InChI=1S/C5H10O.H2O/c1-2-5-3-4-6-5;/h5H,2-4H2,1H3;1H2/t5-;/m1./s1",61.714180000000006,23.9628,
8347,[C:1]([C:2]([C@@:3]([O:4][H:14])([C:5]([C:6]([O:7][H:19])([H:17])[H:18])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:3]([O:4][H:14])([C:5]([C:6](=[O:7])[H:17])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10].[H:18][H:19],"InChI=1S/C5H12O2/c1-2-5(7)3-4-6/h5-7H,2-4H2,1H3/t5-/m1/s1","InChI=1S/C5H10O2.H2/c1-2-5(7)3-4-6;/h4-5,7H,2-3H2,1H3;1H/t5-;/m1./s1",78.88918000000001,17.149639999999998,
8348,[C:1]([C:2]([C@@:3]([O:4][H:14])([C:5]([C:6]([O:7][H:19])([H:17])[H:18])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C-:3]([C:5]([C+:6]([O:7][H:19])[H:17])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10].[O:4]([H:14])[H:18],"InChI=1S/C5H12O2/c1-2-5(7)3-4-6/h5-7H,2-4H2,1H3/t5-/m1/s1","InChI=1S/C5H10O.H2O/c1-2-3-4-5-6;/h3,5-6H,2,4H2,1H3;1H2",80.95978000000001,86.71666,
8349,[C:1]([C:2]([C@@:3]([O:4][H:14])([C:5]([C:6]([O:7][H:19])([H:17])[H:18])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:4][H:14])([H:8])([H:9])[H:10].[C:2](=[C:3]([C:5]([C:6]([O:7][H:19])([H:17])[H:18])([H:15])[H:16])[H:13])([H:11])[H:12],"InChI=1S/C5H12O2/c1-2-5(7)3-4-6/h5-7H,2-4H2,1H3/t5-/m1/s1","InChI=1S/C4H8O.CH4O/c1-2-3-4-5;1-2/h2,5H,1,3-4H2;2H,1H3",97.8397,30.15441,"1,3_Insertion_ROR"
8350,[C:1]([C:2]([C@@:3]([O:4][H:14])([C:5]([C:6]([O:7][H:19])([H:17])[H:18])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2](/[C:3](=[C:5](/[C:6]([O:7][H:19])([H:17])[H:18])[H:15])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10].[O:4]([H:14])[H:16],"InChI=1S/C5H12O2/c1-2-5(7)3-4-6/h5-7H,2-4H2,1H3/t5-/m1/s1","InChI=1S/C5H10O.H2O/c1-2-3-4-5-6;/h3-4,6H,2,5H2,1H3;1H2/b4-3+;",59.81073000000001,15.90595,"1,3_Insertion_ROR"
8351,[C:1]([C:2]([C@@:3]([O:4][H:14])([C:5]([C:6]([O:7][H:19])([H:17])[H:18])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:3]([O:4][H:14])([C:5](=[C:6]([H:17])[H:18])[H:15])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10].[O:7]([H:16])[H:19],"InChI=1S/C5H12O2/c1-2-5(7)3-4-6/h5-7H,2-4H2,1H3/t5-/m1/s1","InChI=1S/C5H10O.H2O/c1-3-5(6)4-2;/h3,5-6H,1,4H2,2H3;1H2/t5-;/m0./s1",60.856840000000005,12.77593,"1,3_Insertion_ROR"
8352,[C:1]([C:2]([C@@:3]([O:4][H:14])([C:5]([C:6]([O:7][H:19])([H:17])[H:18])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2](/[C:3]([O:4][H:14])=[C:5](\[C:6]([O:7][H:19])([H:17])[H:18])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10].[H:13][H:16],"InChI=1S/C5H12O2/c1-2-5(7)3-4-6/h5-7H,2-4H2,1H3/t5-/m1/s1","InChI=1S/C5H10O2.H2/c1-2-5(7)3-4-6;/h3,6-7H,2,4H2,1H3;1H/b5-3+;",100.28461999999999,26.265620000000002,
8353,[C:1]([C:2]([C@@:3]([O:4][H:14])([C:5]([C:6]([O:7][H:19])([H:17])[H:18])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](=[C:2]([H:11])[H:12])([H:8])[H:10].[C:3]([O:4][H:9])([C:5]([C:6]([O:7][H:19])([H:17])[H:18])([H:15])[H:16])([H:13])[H:14],"InChI=1S/C5H12O2/c1-2-5(7)3-4-6/h5-7H,2-4H2,1H3/t5-/m1/s1","InChI=1S/C3H8O2.C2H4/c4-2-1-3-5;1-2/h4-5H,1-3H2;1-2H2",98.78383000000001,29.99793,
8354,[C:1]([C:2]([C@@:3]([O:4][H:14])([C:5]([C:6]([O:7][H:19])([H:17])[H:18])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:3]([O:4][H:14])([C:5]([H:15])([H:16])[H:18])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10].[C:6]([O:7][H:19])[H:17],"InChI=1S/C5H12O2/c1-2-5(7)3-4-6/h5-7H,2-4H2,1H3/t5-/m1/s1","InChI=1S/C4H10O.CH2O/c1-3-4(2)5;1-2/h4-5H,3H2,1-2H3;1-2H/t4-;/m0./s1",73.55854000000001,73.73317,
8355,[C:1]([C:2]([C@@:3]([O:4][H:14])([C:5]([C:6]([O:7][H:19])([H:17])[H:18])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]1([H:8])([H:10])[C:2]([H:11])([H:12])[C:3]1([C:5]([C:6]([O:7][H:19])([H:17])[H:18])([H:15])[H:16])[H:13].[O:4]([H:9])[H:14],"InChI=1S/C5H12O2/c1-2-5(7)3-4-6/h5-7H,2-4H2,1H3/t5-/m1/s1","InChI=1S/C5H10O.H2O/c6-4-3-5-1-2-5;/h5-6H,1-4H2;1H2",92.08109,24.13532,
8356,[C:1]([C:2]([C@@:3]([O:4][H:14])([C:5]([C:6]([O:7][H:19])([H:17])[H:18])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:6]([C:5]([C:3]([O:4][H:14])([O:7][H:19])[H:13])([H:15])[H:16])([H:17])[H:18])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H12O2/c1-2-5(7)3-4-6/h5-7H,2-4H2,1H3/t5-/m1/s1","InChI=1S/C5H12O2/c1-2-3-4-5(6)7/h5-7H,2-4H2,1H3",117.65146999999999,-4.49677,
8357,[C:1]([C:2]([C@@:3]([O:4][H:14])([C:5]([C:6]([O:7][H:19])([H:17])[H:18])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](=[C:2]([C@@:3]([O:4][H:14])([C:5]([C:6]([O:7][H:19])([H:17])[H:18])([H:15])[H:16])[H:13])[H:12])([H:9])[H:10].[H:8][H:11],"InChI=1S/C5H12O2/c1-2-5(7)3-4-6/h5-7H,2-4H2,1H3/t5-/m1/s1","InChI=1S/C5H10O2.H2/c1-2-5(7)3-4-6;/h2,5-7H,1,3-4H2;1H/t5-;/m1./s1",112.74633,32.11395,
8358,[C:1]([C:2]([C@@:3]([O:4][H:14])([C:5]([C:6]([O:7][H:19])([H:17])[H:18])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3][O:4][H:14])([H:11])[H:12])([H:8])([H:9])[H:10].[C:5]([C:6]([O:7][H:19])([H:17])[H:18])([H:13])([H:15])[H:16],"InChI=1S/C5H12O2/c1-2-5(7)3-4-6/h5-7H,2-4H2,1H3/t5-/m1/s1","InChI=1S/C3H6O.C2H6O/c1-2-3-4;1-2-3/h4H,2H2,1H3;3H,2H2,1H3",74.57223,69.29816,
8359,[C:1]([C:2]([C@@:3]([O:4][H:14])([C:5]([C:6]([O:7][H:19])([H:17])[H:18])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:3]([O:4][H:14])(/[C:5](=[C:6](\[O:7][H:19])[H:17])[H:15])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10].[H:16][H:18],"InChI=1S/C5H12O2/c1-2-5(7)3-4-6/h5-7H,2-4H2,1H3/t5-/m1/s1","InChI=1S/C5H10O2.H2/c1-2-5(7)3-4-6;/h3-7H,2H2,1H3;1H/b4-3-;/t5-;/m1./s1",101.97655,27.64054,
8360,[C:1]([C:2]([C@@:3]([O:4][H:14])([C:5]([C:6]([O:7][H:19])([H:17])[H:18])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([H:11])([H:12])[H:13])([H:8])([H:9])[H:10].[C:3]([O:4][H:14])[C:5]([C:6]([O:7][H:19])([H:17])[H:18])([H:15])[H:16],"InChI=1S/C5H12O2/c1-2-5(7)3-4-6/h5-7H,2-4H2,1H3/t5-/m1/s1","InChI=1S/C3H6O2.C2H6/c4-2-1-3-5;1-2/h4-5H,1-2H2;1-2H3",73.47819,69.26657,
8361,[C:1]([C:2]([C@@:3]([O:4][H:14])([C:5]([C:6]([O:7][H:19])([H:17])[H:18])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C@:2]1([H:12])[C@:3]([O:4][H:14])([H:13])[C:5]([H:15])([H:16])[C:6]1([H:17])[H:18])([H:8])([H:9])[H:10].[O:7]([H:11])[H:19],"InChI=1S/C5H12O2/c1-2-5(7)3-4-6/h5-7H,2-4H2,1H3/t5-/m1/s1","InChI=1S/C5H10O.H2O/c1-4-2-3-5(4)6;/h4-6H,2-3H2,1H3;1H2/t4-,5-;/m0./s1",86.96047,16.61354,
8362,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C:4]([C:5]1([H:17])[C:6]([H:18])([H:19])[C:7]1([H:20])[H:21])([H:15])[H:16])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C:4]([C:5][C:6]([C:7]([H:17])([H:20])[H:21])([H:18])[H:19])([H:15])[H:16])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C7H14/c1-6(2)5-7-3-4-7/h6-7H,3-5H2,1-2H3","InChI=1S/C7H14/c1-4-5-6-7(2)3/h7H,4,6H2,1-3H3",65.47034000000001,65.63287,
8363,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C:4]([C:5]1([H:17])[C:6]([H:18])([H:19])[C:7]1([H:20])[H:21])([H:15])[H:16])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C:4](=[C:5]([H:15])[H:17])[H:16])[H:11])([H:8])([H:9])[H:10].[C:6](=[C:7]([H:20])[H:21])([H:18])[H:19],"InChI=1S/C7H14/c1-6(2)5-7-3-4-7/h6-7H,3-5H2,1-2H3","InChI=1S/C5H10.C2H4/c1-4-5(2)3;1-2/h4-5H,1H2,2-3H3;1-2H2",82.79316,16.41228,
8364,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C:4]([C:5]1([H:17])[C:6]([H:18])([H:19])[C:7]1([H:20])[H:21])([H:15])[H:16])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C:4]([C:5]1=[C:6]([H:19])[C:7]1([H:20])[H:21])([H:15])[H:16])[H:11])([H:9])([H:10])[H:17].[H:8][H:18],"InChI=1S/C7H14/c1-6(2)5-7-3-4-7/h6-7H,3-5H2,1-2H3","InChI=1S/C7H12.H2/c1-6(2)5-7-3-4-7;/h3,6H,4-5H2,1-2H3;1H",113.91493999999999,50.01201,
8365,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C:4]([C:5]1([H:17])[C:6]([H:18])([H:19])[C:7]1([H:20])[H:21])([H:15])[H:16])[H:11])([H:8])([H:9])[H:10],[C+:1]([C@@:2]([C:3]([H:12])([H:13])[H:14])([C:4]([C:5]([C:6]([C-:7]([H:20])[H:21])([H:18])[H:19])([H:8])[H:17])([H:15])[H:16])[H:11])([H:9])[H:10],"InChI=1S/C7H14/c1-6(2)5-7-3-4-7/h6-7H,3-5H2,1-2H3","InChI=1S/C7H14/c1-4-5-6-7(2)3/h7H,1-2,4-6H2,3H3/t7-/m0/s1",87.90795,89.7033,
8366,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C:4]([C:5]1([H:17])[C:6]([H:18])([H:19])[C:7]1([H:20])[H:21])([H:15])[H:16])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])(/[C:4](=[C:5](/[C:6](=[C:7]([H:20])[H:21])[H:18])[H:17])[H:16])[H:11])([H:8])([H:9])[H:10].[H:15][H:19],"InChI=1S/C7H14/c1-6(2)5-7-3-4-7/h6-7H,3-5H2,1-2H3","InChI=1S/C7H12.H2/c1-4-5-6-7(2)3;/h4-7H,1H2,2-3H3;1H/b6-5+;",91.63817,19.54469,
8367,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C:4]([C:5]1([H:17])[C:6]([H:18])([H:19])[C:7]1([H:20])[H:21])([H:15])[H:16])[H:11])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:11].[C:2]([C:3]([H:12])([H:13])[H:14])[C:4]([C:5]1([H:17])[C:6]([H:18])([H:19])[C:7]1([H:20])[H:21])([H:15])[H:16],"InChI=1S/C7H14/c1-6(2)5-7-3-4-7/h6-7H,3-5H2,1-2H3","InChI=1S/C6H10.CH4/c1-2-3-6-4-5-6;/h6H,3-5H2,1H3;1H4",83.57292,90.45644,
8368,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C:4]([C:5]1([H:17])[C:6]([H:18])([H:19])[C:7]1([H:20])[H:21])([H:15])[H:16])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C:4]([H:15])([H:16])[H:19])[H:11])([H:8])([H:9])[H:10].[C:5]1([H:17])=[C:6]([H:18])[C:7]1([H:20])[H:21],"InChI=1S/C7H14/c1-6(2)5-7-3-4-7/h6-7H,3-5H2,1-2H3","InChI=1S/C4H10.C3H4/c1-4(2)3;1-2-3-1/h4H,1-3H3;1-2H,3H2",116.96846000000001,44.916779999999996,
8369,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C:4]([C:5]1([H:17])[C:6]([H:18])([H:19])[C:7]1([H:20])[H:21])([H:15])[H:16])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])=[C:4]([H:15])[H:16])([H:8])([H:9])[H:10].[C:5](=[C:6]([H:18])[H:19])([C:7]([H:11])([H:20])[H:21])[H:17],"InChI=1S/C7H14/c1-6(2)5-7-3-4-7/h6-7H,3-5H2,1-2H3","InChI=1S/C4H8.C3H6/c1-4(2)3;1-3-2/h1H2,2-3H3;3H,1H2,2H3",64.83951,9.993960000000001,
8370,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C:4]([C:5]1([H:17])[C:6]([H:18])([H:19])[C:7]1([H:20])[H:21])([H:15])[H:16])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([H:11])[H:20])([H:8])([H:9])[H:10].[C:4](=[C:5]([C:7](=[C:6]([H:18])[H:19])[H:21])[H:17])([H:15])[H:16],"InChI=1S/C7H14/c1-6(2)5-7-3-4-7/h6-7H,3-5H2,1-2H3","InChI=1S/C4H6.C3H8/c1-3-4-2;1-3-2/h3-4H,1-2H2;3H2,1-2H3",87.03759000000001,12.79316,
8371,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C:4]([C:5]1([H:17])[C:6]([H:18])([H:19])[C:7]1([H:20])[H:21])([H:15])[H:16])[H:11])([H:8])([H:9])[H:10],[C:1](=[C:2]([C:3]([H:12])([H:13])[H:14])[H:11])([H:9])[H:10].[C:4](=[C:5]1[C:6]([H:18])([H:19])[C:7]1([H:20])[H:21])([H:15])[H:16].[H:8][H:17],"InChI=1S/C7H14/c1-6(2)5-7-3-4-7/h6-7H,3-5H2,1-2H3","InChI=1S/C4H6.C3H6.H2/c1-4-2-3-4;1-3-2;/h1-3H2;3H,1H2,2H3;1H",84.16048,58.59701,
8372,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C:4]([C:5]1([H:17])[C:6]([H:18])([H:19])[C:7]1([H:20])[H:21])([H:15])[H:16])[H:11])([H:8])([H:9])[H:10],[C:1](=[C:2]([C:3]([H:12])([H:13])[H:14])[H:11])([H:9])[H:10].[C:4](=[C:5]([C:6]([C:7]([H:8])([H:20])[H:21])([H:18])[H:19])[H:17])([H:15])[H:16],"InChI=1S/C7H14/c1-6(2)5-7-3-4-7/h6-7H,3-5H2,1-2H3","InChI=1S/C4H8.C3H6/c1-3-4-2;1-3-2/h3H,1,4H2,2H3;3H,1H2,2H3",67.98863,14.171829999999998,
8373,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C:4]([C:5]1([H:17])[C:6]([H:18])([H:19])[C:7]1([H:20])[H:21])([H:15])[H:16])[H:11])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:15].[C:2](\[C:3]([H:12])([H:13])[H:14])(=[C:4](\[C:5]1([H:17])[C:6]([H:18])([H:19])[C:7]1([H:20])[H:21])[H:16])[H:11],"InChI=1S/C7H14/c1-6(2)5-7-3-4-7/h6-7H,3-5H2,1-2H3","InChI=1S/C6H10.CH4/c1-2-3-6-4-5-6;/h2-3,6H,4-5H2,1H3;1H4/b3-2-;",89.63664,14.38514,
8374,[C:1]([n:2]1[c:3]([H:11])[c:4]([C:5]([H:12])([H:13])[H:14])[n:6][n:7]1)([H:8])([H:9])[H:10],[C:1](/[N:2]=[C:3](/[C-:4]([C:5]([H:12])([H:13])[H:14])[N+:6]#[N:7])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H7N3/c1-4-3-7(2)6-5-4/h3H,1-2H3","InChI=1S/C4H7N3/c1-4(7-5)3-6-2/h3H,1-2H3/b6-3+",24.05657,12.19914,
8375,[C:1]([n:2]1[c:3]([H:11])[c:4]([C:5]([H:12])([H:13])[H:14])[n:6][n:7]1)([H:8])([H:9])[H:10],[C:1]([N:2]1[C:3]([H:11])=[C:4]=[N+:6]([C:5]([H:12])([H:13])[H:14])[N-:7]1)([H:8])([H:9])[H:10],"InChI=1S/C4H7N3/c1-4-3-7(2)6-5-4/h3H,1-2H3","InChI=1S/C4H7N3/c1-6-3-4-7(2)5-6/h3H,1-2H3",100.29032,43.02323,
8376,[C:1]([n:2]1[c:3]([H:11])[c:4]([C:5]([H:12])([H:13])[H:14])[n:6][n:7]1)([H:8])([H:9])[H:10],[C:1]([n:7]1[n:2][c:3]([H:11])[c:4]([C:5]([H:12])([H:13])[H:14])[n:6]1)([H:8])([H:9])[H:10],"InChI=1S/C4H7N3/c1-4-3-7(2)6-5-4/h3H,1-2H3","InChI=1S/C4H7N3/c1-4-3-5-7(2)6-4/h3H,1-2H3",56.971090000000004,-8.232330000000001,
8377,[C:1]([n:2]1[c:3]([H:11])[c:4]([C:5]([H:12])([H:13])[H:14])[n:6][n:7]1)([H:8])([H:9])[H:10],[C:1]([N+:2]([C:3](=[C:4]=[N:6][C:5]([H:12])([H:13])[H:14])[H:11])=[N-:7])([H:8])([H:9])[H:10],"InChI=1S/C4H7N3/c1-4-3-7(2)6-5-4/h3H,1-2H3","InChI=1S/C4H7N3/c1-6-3-4-7(2)5/h4H,1-2H3",119.90026999999999,65.19552,
8378,[C:1]([n:2]1[c:3]([H:11])[c:4]([C:5]([H:12])([H:13])[H:14])[n:6][n:7]1)([H:8])([H:9])[H:10],[C:1]([N+:2]1=[C:3]([H:11])[C:4](=[C:5]([H:12])[H:14])[N:6]([H:13])[N-:7]1)([H:8])([H:9])[H:10],"InChI=1S/C4H7N3/c1-4-3-7(2)6-5-4/h3H,1-2H3","InChI=1S/C4H7N3/c1-4-3-7(2)6-5-4/h3,5H,1H2,2H3",76.31116999999999,35.865790000000004,
8379,[C:1]([n:2]1[c:3]([H:11])[c:4]([C:5]([H:12])([H:13])[H:14])[n:6][n:7]1)([H:8])([H:9])[H:10],[C:1]([N:2]=[C:3]=[C:4]([C:5]([H:12])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10].[N:6]#[N:7],"InChI=1S/C4H7N3/c1-4-3-7(2)6-5-4/h3H,1-2H3","InChI=1S/C4H7N.N2/c1-3-4-5-2;1-2/h3H,1-2H3;",54.54019,-14.69079,
8380,[C:1]([n:2]1[c:3]([H:11])[c:4]([C:5]([H:12])([H:13])[H:14])[n:6][n:7]1)([H:8])([H:9])[H:10],[C:1]([C@:3]1([H:11])[N:2]=[N:7][N:6]=[C:4]1[C:5]([H:12])([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C4H7N3/c1-4-3-7(2)6-5-4/h3H,1-2H3","InChI=1S/C4H7N3/c1-3-4(2)6-7-5-3/h3H,1-2H3/t3-/m0/s1",62.62726,16.65564,
8381,[C:1]([n:2]1[c:3]([H:11])[c:4]([C:5]([H:12])([H:13])[H:14])[n:6][n:7]1)([H:8])([H:9])[H:10],[C+:1]([N:2]([C:3](=[C:4]([C:5]([H:12])([H:13])[H:14])[N:6]=[N-:7])[H:11])[H:10])([H:8])[H:9],"InChI=1S/C4H7N3/c1-4-3-7(2)6-5-4/h3H,1-2H3","InChI=1S/C4H7N3/c1-4(7-5)3-6-2/h3,6H,2H2,1H3",100.42891999999999,48.37151,
8382,[C:1]([n:2]1[c:3]([H:11])[c:4]([C:5]([H:12])([H:13])[H:14])[n:6][n:7]1)([H:8])([H:9])[H:10],[C:1](/[N:2]=[C:3](/[C:4][C:5]([H:12])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10].[N:6]#[N:7],"InChI=1S/C4H7N3/c1-4-3-7(2)6-5-4/h3H,1-2H3","InChI=1S/C4H7N.N2/c1-3-4-5-2;1-2/h4H,1-2H3;/b5-4+;",56.147659999999995,51.14547,
8383,[C:1]([n:2]1[c:3]([H:11])[c:4]([C:5]([H:12])([H:13])[H:14])[n:6][n:7]1)([H:8])([H:9])[H:10],[C:1](/[N:2]=[C:3](/[C:4]1([C:5]([H:12])([H:13])[H:14])[N:6]=[N:7]1)[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H7N3/c1-4-3-7(2)6-5-4/h3H,1-2H3","InChI=1S/C4H7N3/c1-4(3-5-2)6-7-4/h3H,1-2H3/b5-3+",119.61547,32.8125,
8384,[C:1]([n:2]1[c:3]([H:11])[c:4]([C:5]([H:12])([H:13])[H:14])[n:6][n:7]1)([H:8])([H:9])[H:10],[C:1](=[N+:2]1[C:3]([H:10])([H:11])[C:4]([C:5]([H:12])([H:13])[H:14])=[N:6][N-:7]1)([H:8])[H:9],"InChI=1S/C4H7N3/c1-4-3-7(2)6-5-4/h3H,1-2H3","InChI=1S/C4H7N3/c1-4-3-7(2)6-5-4/h2-3H2,1H3",92.97135,37.275209999999994,
8385,[C:1]([n:2]1[c:3]([H:11])[c:4]([C:5]([H:12])([H:13])[H:14])[n:6][n:7]1)([H:8])([H:9])[H:10],[C:1]([N:2]([C+:3]=[C:4]([C:5]([H:12])([H:13])[H:14])[N:6]=[N-:7])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H7N3/c1-4-3-7(2)6-5-4/h3H,1-2H3","InChI=1S/C4H7N3/c1-4(7-5)3-6-2/h6H,1-2H3",86.34873,35.75241,
8386,[C:1]([n:2]1[c:3]([H:11])[c:4]([C:5]([H:12])([H:13])[H:14])[n:6][n:7]1)([H:8])([H:9])[H:10],[C:1]([N:2]1[C:3]([H:11])([H:13])[C:4](=[C:5]([H:12])[H:14])[N:6]=[N:7]1)([H:8])([H:9])[H:10],"InChI=1S/C4H7N3/c1-4-3-7(2)6-5-4/h3H,1-2H3","InChI=1S/C4H7N3/c1-4-3-7(2)6-5-4/h1,3H2,2H3",92.98125999999999,25.706429999999997,
8387,[C:1]([n:2]1[c:3]([H:11])[c:4]([C:5]([H:12])([H:13])[H:14])[n:6][n:7]1)([H:8])([H:9])[H:10],[C:1]([N:2]=[N:7][N:6]=[C:4]=[C:3]([C:5]([H:12])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H7N3/c1-4-3-7(2)6-5-4/h3H,1-2H3","InChI=1S/C4H7N3/c1-3-4-6-7-5-2/h3H,1-2H3",111.24906999999999,50.10986,
8388,[C:1]([n:2]1[c:3]([H:11])[c:4]([C:5]([H:12])([H:13])[H:14])[n:6][n:7]1)([H:8])([H:9])[H:10],[C:1]([N:2]1[C:3]([H:11])=[C:4]1[C:5]([H:12])([H:13])[H:14])([H:8])([H:9])[H:10].[N:6]#[N:7],"InChI=1S/C4H7N3/c1-4-3-7(2)6-5-4/h3H,1-2H3","InChI=1S/C4H7N.N2/c1-4-3-5(4)2;1-2/h3H,1-2H3;",58.79674,35.83468,
8389,[C:1]([n:2]1[c:3]([H:11])[c:4]([C:5]([H:12])([H:13])[H:14])[n:6][n:7]1)([H:8])([H:9])[H:10],[C:1](/[N:2]=[N:7]/[N:6]1[C:3]([H:11])=[C:4]1[C:5]([H:12])([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C4H7N3/c1-4-3-7(2)6-5-4/h3H,1-2H3","InChI=1S/C4H7N3/c1-4-3-7(4)6-5-2/h3H,1-2H3/b6-5+",96.06871,90.05190999999999,
8390,[C:1]([n:2]1[c:3]([H:11])[c:4]([C:5]([H:12])([H:13])[H:14])[n:6][n:7]1)([H:8])([H:9])[H:10],[C-:1]([n+:2]1[c:3]([H:11])[c:4]([C:5]([H:12])([H:13])[H:14])[n:6][n:7]1[H:10])([H:8])[H:9],"InChI=1S/C4H7N3/c1-4-3-7(2)6-5-4/h3H,1-2H3","InChI=1S/C4H7N3/c1-4-3-7(2)6-5-4/h3,6H,2H2,1H3",65.6864,41.84747,
8391,[C:1]([n:2]1[c:3]([H:11])[c:4]([C:5]([H:12])([H:13])[H:14])[n:6][n:7]1)([H:8])([H:9])[H:10],[C:1]([N:2]=[N+:7]=[N-:6])([H:8])([H:9])[H:10].[C:3](#[C:4][C:5]([H:12])([H:13])[H:14])[H:11],"InChI=1S/C4H7N3/c1-4-3-7(2)6-5-4/h3H,1-2H3","InChI=1S/C3H4.CH3N3/c1-3-2;1-3-4-2/h1H,2H3;1H3",74.39702,62.66061,
8392,[C:1]([n:2]1[c:3]([H:11])[c:4]([C:5]([H:12])([H:13])[H:14])[n:6][n:7]1)([H:8])([H:9])[H:10],[C:1]([N:2]1[C@:3]([C:5]([H:12])([H:13])[H:14])([H:11])[C:4]#[N+:6][N-:7]1)([H:8])([H:9])[H:10],"InChI=1S/C4H7N3/c1-4-3-7(2)6-5-4/h3H,1-2H3","InChI=1S/C4H7N3/c1-4-3-5-6-7(4)2/h4H,1-2H3/t4-/m0/s1",94.17107,74.15284,
8393,[C:1]([n:2]1[c:3]([H:11])[c:4]([C:5]([H:12])([H:13])[H:14])[n:6][n:7]1)([H:8])([H:9])[H:10],[C:1]([N+:2]([C@:3]1([H:11])[C:4]([C:5]([H:12])([H:13])[H:14])=[N:6]1)=[N-:7])([H:8])([H:9])[H:10],"InChI=1S/C4H7N3/c1-4-3-7(2)6-5-4/h3H,1-2H3","InChI=1S/C4H7N3/c1-3-4(6-3)7(2)5/h4H,1-2H3/t4-/m1/s1",96.39665,68.74077,
8394,[C:1]([n:2]1[c:3]([H:11])[c:4]([C:5]([H:12])([H:13])[H:14])[n:6][n:7]1)([H:8])([H:9])[H:10],[C-:1]([N+:2]1=[C:3]([H:11])[C@@:4]([C:5]([H:12])([H:13])[H:14])([H:10])[N:6]=[N:7]1)([H:8])[H:9],"InChI=1S/C4H7N3/c1-4-3-7(2)6-5-4/h3H,1-2H3","InChI=1S/C4H7N3/c1-4-3-7(2)6-5-4/h3-4H,2H2,1H3/t4-/m0/s1",99.23095,57.43096,
8395,[C:1]1([H:8])([H:9])[C@:2]2([H:10])[O:3][C@@:4]1([H:11])[C@:5]1([H:12])[O:6][C@:7]21[H:13],[C:1]1([H:8])([H:9])[C:2][C@@:7]2([H:13])[C@@:5]([H:12])([C@:4]1([O:3][H:10])[H:11])[O:6]2,"InChI=1S/C5H6O2/c1-2-4-5(7-4)3(1)6-2/h2-5H,1H2/t2-,3+,4+,5-","InChI=1S/C5H6O2/c6-3-1-2-4-5(3)7-4/h3-6H,1H2/t3-,4-,5+/m0/s1",57.07966999999999,37.74992,
8396,[C:1]1([H:8])([H:9])[C@:2]2([H:10])[O:3][C@@:4]1([H:11])[C@:5]1([H:12])[O:6][C@:7]21[H:13],[C:1]1([H:8])([H:9])[C@@:2]([C:7][H:13])([H:10])[O:3][C@@:4]1([C:5](=[O:6])[H:12])[H:11],"InChI=1S/C5H6O2/c1-2-4-5(7-4)3(1)6-2/h2-5H,1H2/t2-,3+,4+,5-","InChI=1S/C5H6O2/c1-4-2-5(3-6)7-4/h1,3-5H,2H2/t4-,5-/m0/s1",44.81439,47.782070000000004,
8397,[C:1]1([H:8])([H:9])[C@:2]2([H:10])[O:3][C@@:4]1([H:11])[C@:5]1([H:12])[O:6][C@:7]21[H:13],[C:1]1([H:8])([H:9])[C@@:2]([C@@:7]2([H:13])[C-:5]=[O+:6]2)([H:10])[O:3][C:4]1([H:11])[H:12],"InChI=1S/C5H6O2/c1-2-4-5(7-4)3(1)6-2/h2-5H,1H2/t2-,3+,4+,5-","InChI=1S/C5H6O2/c1-2-6-4(1)5-3-7-5/h4-5H,1-2H2/t4-,5-/m1/s1",52.7777,30.927429999999998,
8398,[C:1]1([H:8])([H:9])[C@:2]2([H:10])[O:3][C@@:4]1([H:11])[C@:5]1([H:12])[O:6][C@:7]21[H:13],[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[O:3][C@:4]1([H:11])[C@:5]([O:6][H:13])([H:12])[C:7]2,"InChI=1S/C5H6O2/c1-2-4-5(7-4)3(1)6-2/h2-5H,1H2/t2-,3+,4+,5-","InChI=1S/C5H6O2/c6-4-1-3-2-5(4)7-3/h3-6H,2H2/t3-,4-,5-/m0/s1",60.08517,50.53085,
8399,[C:1]1([H:8])([H:9])[C@:2]2([H:10])[O:3][C@@:4]1([H:11])[C@:5]1([H:12])[O:6][C@:7]21[H:13],[C:1](=[C:2]([C@@:7]1([H:13])[C@:5]([C:4](=[O:3])[H:11])([H:12])[O:6]1)[H:10])([H:8])[H:9],"InChI=1S/C5H6O2/c1-2-4-5(7-4)3(1)6-2/h2-5H,1H2/t2-,3+,4+,5-","InChI=1S/C5H6O2/c1-2-4-5(3-6)7-4/h2-5H,1H2/t4-,5+/m0/s1",32.2562,-28.99526,
8400,[C:1]1([H:8])([H:9])[C@:2]2([H:10])[O:3][C@@:4]1([H:11])[C@:5]1([H:12])[O:6][C@:7]21[H:13],[C:1]([C@@:2]1([H:10])[O+:3]=[C-:4][C@@:5]2([H:12])[O:6][C@@:7]12[H:13])([H:8])([H:9])[H:11],"InChI=1S/C5H6O2/c1-2-4-5(7-4)3(1)6-2/h2-5H,1H2/t2-,3+,4+,5-","InChI=1S/C5H6O2/c1-3-5-4(7-5)2-6-3/h3-5H,1H3/t3-,4-,5+/m1/s1",67.1934,12.58578,
8401,[C:1]1([H:8])([H:9])[C@:2]2([H:10])[O:3][C@@:4]1([H:11])[C@:5]1([H:12])[O:6][C@:7]21[H:13],[C:1]1([H:8])([H:9])[C@@:2]([C@@:7]2([H:13])[C:5]([H:11])([H:12])[O:6]2)([H:10])[O+:3]=[C-:4]1,"InChI=1S/C5H6O2/c1-2-4-5(7-4)3(1)6-2/h2-5H,1H2/t2-,3+,4+,5-","InChI=1S/C5H6O2/c1-2-6-4(1)5-3-7-5/h4-5H,1,3H2/t4-,5-/m1/s1",55.183,36.2966,
8402,[C:1]1([H:8])([H:9])[C@:2]2([H:10])[O:3][C@@:4]1([H:11])[C@:5]1([H:12])[O:6][C@:7]21[H:13],[C:1]1([H:8])([H:9])[C:2]([H:10])=[C:7]([H:13])[O:6][C@@:5]2([H:12])[O:3][C@@:4]12[H:11],"InChI=1S/C5H6O2/c1-2-4-5(7-4)3(1)6-2/h2-5H,1H2/t2-,3+,4+,5-","InChI=1S/C5H6O2/c1-2-4-5(7-4)6-3-1/h1,3-5H,2H2/t4-,5-/m0/s1",40.081340000000004,-38.17156,
8403,[C:1]1([H:8])([H:9])[C@:2]2([H:10])[O:3][C@@:4]1([H:11])[C@:5]1([H:12])[O:6][C@:7]21[H:13],[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[O:3][C@:4]1([H:11])[C-:5]=[O+:6][C:7]2([H:12])[H:13],"InChI=1S/C5H6O2/c1-2-4-5(7-4)3(1)6-2/h2-5H,1H2/t2-,3+,4+,5-","InChI=1S/C5H6O2/c1-4-2-6-3-5(1)7-4/h4-5H,1-2H2/t4-,5+/m1/s1",67.0497,21.583389999999998,
8404,[C:1]1([H:8])([H:9])[C@:2]2([H:10])[O:3][C@@:4]1([H:11])[C@:5]1([H:12])[O:6][C@:7]21[H:13],[C:1]([C@:4]1([H:11])[O:3][C:2]([H:8])([H:10])[C@@:7]2([H:13])[C@:5]1([H:12])[O:6]2)[H:9],"InChI=1S/C5H6O2/c1-2-4-5(7-4)3(1)6-2/h2-5H,1H2/t2-,3+,4+,5-","InChI=1S/C5H6O2/c1-3-5-4(7-5)2-6-3/h1,3-5H,2H2/t3-,4-,5+/m0/s1",69.98666,64.48269,
8405,[C:1]1([H:8])([H:9])[C@:2]2([H:10])[O:3][C@@:4]1([H:11])[C@:5]1([H:12])[O:6][C@:7]21[H:13],[C:1]1([H:8])([H:9])[C@:2]2([H:10])[O:3][C@@:4]1([H:11])[C@@:7]2([O+:6]=[C-:5][H:12])[H:13],"InChI=1S/C5H6O2/c1-2-4-5(7-4)3(1)6-2/h2-5H,1H2/t2-,3+,4+,5-","InChI=1S/C5H6O2/c1-6-5-3-2-4(5)7-3/h1,3-5H,2H2/t3-,4+,5+",94.55626,68.81367,
8406,[C:1]1([H:8])([H:9])[C@:2]2([H:10])[O:3][C@@:4]1([H:11])[C@:5]1([H:12])[O:6][C@:7]21[H:13],[C:1]1([H:8])([H:9])[C@@:2]([C@@:7]2([H:13])[C-:5]=[O+:6]2)([H:10])[O+:3]=[C-:4]1.[H:11][H:12],"InChI=1S/C5H6O2/c1-2-4-5(7-4)3(1)6-2/h2-5H,1H2/t2-,3+,4+,5-","InChI=1S/C5H4O2.H2/c1-2-6-4(1)5-3-7-5;/h4-5H,1H2;1H/t4-,5-;/m1./s1",124.13025,100.69331,
8407,[C:1]1([H:8])([H:9])[C@:2]2([H:10])[O:3][C@@:4]1([H:11])[C@:5]1([H:12])[O:6][C@:7]21[H:13],[C:1]1([H:9])=[C:2]([H:10])[C@@:7]2([H:13])[C@@:5]([H:12])([C@:4]1([O:3][H:8])[H:11])[O:6]2,"InChI=1S/C5H6O2/c1-2-4-5(7-4)3(1)6-2/h2-5H,1H2/t2-,3+,4+,5-","InChI=1S/C5H6O2/c6-3-1-2-4-5(3)7-4/h1-6H/t3-,4-,5+/m0/s1",70.79938,-32.74535,
8408,[C:1]([O:2][C:3]([C:4](=[O:5])[O:6][C:7]([H:13])([H:14])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]1([H:8])([H:10])[O:2][C:3]([H:11])([H:12])[C:4]1([O:5][H:9])[O:6][C:7]([H:13])([H:14])[H:15],"InChI=1S/C4H8O3/c1-6-3-4(5)7-2/h3H2,1-2H3","InChI=1S/C4H8O3/c1-6-4(5)2-7-3-4/h5H,2-3H2,1H3",81.77901,28.027659999999997,
8409,[C:1]([O:2][C:3]([C:4](=[O:5])[O:6][C:7]([H:13])([H:14])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C:3](=[C:4]=[O:5])[H:11])([H:8])([H:9])[H:10].[O:6]([C:7]([H:13])([H:14])[H:15])[H:12],"InChI=1S/C4H8O3/c1-6-3-4(5)7-2/h3H2,1-2H3","InChI=1S/C3H4O2.CH4O/c1-5-3-2-4;1-2/h3H,1H3;2H,1H3",66.44337,43.06681,"1,3_Insertion_ROR"
8410,[C:1]([O:2][C:3]([C:4](=[O:5])[O:6][C:7]([H:13])([H:14])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]([O:5][C-:4]=[O+:6][C:7]([H:13])([H:14])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H8O3/c1-6-3-4(5)7-2/h3H2,1-2H3","InChI=1S/C4H8O3/c1-5-3-7-4-6-2/h3H2,1-2H3",84.29491999999999,51.60812,
8411,[C:1]([O:2][C:3]([C:4](=[O:5])[O:6][C:7]([H:13])([H:14])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2]/[C:3](=[C:4](\[O:5][H:12])[O:6][C:7]([H:13])([H:14])[H:15])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H8O3/c1-6-3-4(5)7-2/h3H2,1-2H3","InChI=1S/C4H8O3/c1-6-3-4(5)7-2/h3,5H,1-2H3/b4-3+",75.16988,21.69825,ketoenol
8412,[C:1]([O:2][C:3]([C:4](=[O:5])[O:6][C:7]([H:13])([H:14])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],[C-:1]([O+:2]=[C:3]([H:11])[H:12])([H:8])[H:10].[C:4](=[O:5])([O:6][C:7]([H:13])([H:14])[H:15])[H:9],"InChI=1S/C4H8O3/c1-6-3-4(5)7-2/h3H2,1-2H3","InChI=1S/C2H4O2.C2H4O/c1-4-2-3;1-3-2/h2H,1H3;1-2H2",65.97588,68.35088,
8413,[C:1]([O:2][C:3]([C:4](=[O:5])[O:6][C:7]([H:13])([H:14])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]1([H:8])([H:10])[O:2][C:3]([H:11])([H:12])[C:4]1=[O:5].[O:6]([C:7]([H:13])([H:14])[H:15])[H:9],"InChI=1S/C4H8O3/c1-6-3-4(5)7-2/h3H2,1-2H3","InChI=1S/C3H4O2.CH4O/c4-3-1-5-2-3;1-2/h1-2H2;2H,1H3",81.41065,33.9612,
8414,[C:1]([O:2][C:3]([C:4](=[O:5])[O:6][C:7]([H:13])([H:14])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]([C:4](=[O:5])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10].[O:6]=[C:7]([H:13])[H:15],"InChI=1S/C4H8O3/c1-6-3-4(5)7-2/h3H2,1-2H3","InChI=1S/C3H6O2.CH2O/c1-5-3-2-4;1-2/h2H,3H2,1H3;1H2",67.45729,32.955259999999996,
8415,[C:1]([O:2][C:3]([C:4](=[O:5])[O:6][C:7]([H:13])([H:14])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C@:3]1([H:11])[C@@:4]([O:6][C:7]([H:13])([H:14])[H:15])([H:12])[O:5]1)([H:8])([H:9])[H:10],"InChI=1S/C4H8O3/c1-6-3-4(5)7-2/h3H2,1-2H3","InChI=1S/C4H8O3/c1-5-3-4(6-2)7-3/h3-4H,1-2H3/t3-,4+",65.36238,35.61687,
8416,[C:1]([O:2][C:3]([C:4](=[O:5])[O:6][C:7]([H:13])([H:14])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:6][C:7]([H:13])([H:14])[H:15])([H:8])([H:9])[H:10].[O:2]1[C:3]([H:11])([H:12])[C:4]1=[O:5],"InChI=1S/C4H8O3/c1-6-3-4(5)7-2/h3H2,1-2H3",InChI=1S/C2H2O2.C2H6O/c3-2-1-4-2;1-3-2/h1H2;1-2H3,85.17182,37.574740000000006,
8417,[C:1]([O:2][C:3]([C:4](=[O:5])[O:6][C:7]([H:13])([H:14])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][O:5][C:4](=[C:3]([H:11])[H:12])[O:6][C:7]([H:13])([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C4H8O3/c1-6-3-4(5)7-2/h3H2,1-2H3","InChI=1S/C4H8O3/c1-4(5-2)7-6-3/h1H2,2-3H3",84.90499,78.43815,ketoenol
8418,[C:1]([C@@:2]1([H:11])[O:3]/[C:4](=[N:5]\[H:12])[C@:6]1([N:7]([H:14])[H:15])[H:13])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[O:3][C:4](=[N:5][H:12])[C-:6]1[N+:7]([H:13])([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C4H8N2O/c1-2-3(5)4(6)7-2/h2-3,6H,5H2,1H3/b6-4-/t2-,3+/m1/s1","InChI=1S/C4H8N2O/c1-2-3(5)4(6)7-2/h2,6H,1,5H3/t2-/m1/s1",71.63019,51.43651,
8419,[C:1]([C@@:2]1([H:11])[O:3]/[C:4](=[N:5]\[H:12])[C@:6]1([N:7]([H:14])[H:15])[H:13])([H:8])([H:9])[H:10],[C:1]([C@@:2]([O:3][H:12])([C@@:6]([C:4]#[N:5])([N:7]([H:14])[H:15])[H:13])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H8N2O/c1-2-3(5)4(6)7-2/h2-3,6H,5H2,1H3/b6-4-/t2-,3+/m1/s1","InChI=1S/C4H8N2O/c1-3(7)4(6)2-5/h3-4,7H,6H2,1H3/t3-,4-/m1/s1",58.552640000000004,-8.32911,
8420,[C:1]([C@@:2]1([H:11])[O:3]/[C:4](=[N:5]\[H:12])[C@:6]1([N:7]([H:14])[H:15])[H:13])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[O:3][C:4](=[N:5]\[H:12])/[C:6]1=[N:7]\[H:13])([H:8])([H:9])[H:10].[H:14][H:15],"InChI=1S/C4H8N2O/c1-2-3(5)4(6)7-2/h2-3,6H,5H2,1H3/b6-4-/t2-,3+/m1/s1","InChI=1S/C4H6N2O.H2/c1-2-3(5)4(6)7-2;/h2,5-6H,1H3;1H/b5-3-,6-4-;/t2-;/m1./s1",98.6353,21.11213,
8421,[C:1]([C@@:2]1([H:11])[O:3]/[C:4](=[N:5]\[H:12])[C@:6]1([N:7]([H:14])[H:15])[H:13])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[O:3]/[C:4](=[N:5]\[H:12])[N+:7]([H:14])([H:15])[C-:6]1[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H8N2O/c1-2-3(5)4(6)7-2/h2-3,6H,5H2,1H3/b6-4-/t2-,3+/m1/s1","InChI=1S/C4H8N2O/c1-3-2-6-4(5)7-3/h2-3,5H,6H2,1H3/b5-4-/t3-/m1/s1",63.17253,52.592490000000005,
8422,[C:1]([C@@:2]1([H:11])[O:3]/[C:4](=[N:5]\[H:12])[C@:6]1([N:7]([H:14])[H:15])[H:13])([H:8])([H:9])[H:10],[C:1]([C:2](=[O:3])[H:11])([H:8])([H:9])[H:10].[C:4](=[N:5][H:12])=[C:6]([N:7]([H:14])[H:15])[H:13],"InChI=1S/C4H8N2O/c1-2-3(5)4(6)7-2/h2-3,6H,5H2,1H3/b6-4-/t2-,3+/m1/s1","InChI=1S/C2H4N2.C2H4O/c3-1-2-4;1-2-3/h1,4H,3H2;2H,1H3",41.47213,26.486009999999997,2+2_cycloaddition
8423,[C:1]([C@@:2]1([H:11])[O:3]/[C:4](=[N:5]\[H:12])[C@:6]1([N:7]([H:14])[H:15])[H:13])([H:8])([H:9])[H:10],[C:1]([O:3]/[C:4](=[N:5]\[H:12])[C@:6]([C:2][H:11])([N:7]([H:14])[H:15])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H8N2O/c1-2-3(5)4(6)7-2/h2-3,6H,5H2,1H3/b6-4-/t2-,3+/m1/s1","InChI=1S/C4H8N2O/c1-3(5)4(6)7-2/h1,3,6H,5H2,2H3/b6-4-/t3-/m0/s1",115.1253,95.39477,
8424,[C:1]([C@@:2]1([H:11])[O:3]/[C:4](=[N:5]\[H:12])[C@:6]1([N:7]([H:14])[H:15])[H:13])([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:6](\[N:7]([H:14])[H:15])[H:13])[H:11])([H:8])([H:9])[H:10].[O:3]=[C:4]=[N:5][H:12],"InChI=1S/C4H8N2O/c1-2-3(5)4(6)7-2/h2-3,6H,5H2,1H3/b6-4-/t2-,3+/m1/s1","InChI=1S/C3H7N.CHNO/c1-2-3-4;2-1-3/h2-3H,4H2,1H3;2H/b3-2-;",35.11075,-10.99487,2+2_cycloaddition
8425,[C:1]([C@@:2]1([H:11])[O:3]/[C:4](=[N:5]\[H:12])[C@:6]1([N:7]([H:14])[H:15])[H:13])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[O:3][C@:6]1([N:7]([H:14])[H:15])[H:13])([H:8])([H:9])[H:10].[C:4]=[N:5][H:12],"InChI=1S/C4H8N2O/c1-2-3(5)4(6)7-2/h2-3,6H,5H2,1H3/b6-4-/t2-,3+/m1/s1","InChI=1S/C3H7NO.CHN/c1-2-3(4)5-2;1-2/h2-3H,4H2,1H3;2H/t2-,3-;/m1./s1",62.5348,46.54166,
8426,[C:1]([C@@:2]1([H:11])[O:3]/[C:4](=[N:5]\[H:12])[C@:6]1([N:7]([H:14])[H:15])[H:13])([H:8])([H:9])[H:10],[C:1]([C:2](=[O:3])[C:6]([N:7]([H:14])[H:15])([H:11])[H:13])([H:8])([H:9])[H:10].[C:4]=[N:5][H:12],"InChI=1S/C4H8N2O/c1-2-3(5)4(6)7-2/h2-3,6H,5H2,1H3/b6-4-/t2-,3+/m1/s1","InChI=1S/C3H7NO.CHN/c1-3(5)2-4;1-2/h2,4H2,1H3;2H",62.806219999999996,27.8944,
8427,[C:1]([C@@:2]1([H:11])[O:3]/[C:4](=[N:5]\[H:12])[C@:6]1([N:7]([H:14])[H:15])[H:13])([H:8])([H:9])[H:10],[C:1]([C@@:2]([O:3]/[C:4](=[N:5]\[H:12])[H:13])([C:6][N:7]([H:14])[H:15])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H8N2O/c1-2-3(5)4(6)7-2/h2-3,6H,5H2,1H3/b6-4-/t2-,3+/m1/s1","InChI=1S/C4H8N2O/c1-4(2-5)7-3-6/h3-4,6H,5H2,1H3/b6-3-/t4-/m1/s1",66.22971,41.8593,
8428,[C:1]([C@@:2]1([H:11])[O:3]/[C:4](=[N:5]\[H:12])[C@:6]1([N:7]([H:14])[H:15])[H:13])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[O:3][C:4]([N:5]([N:7]([H:14])[H:15])[H:12])=[C:6]1[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H8N2O/c1-2-3(5)4(6)7-2/h2-3,6H,5H2,1H3/b6-4-/t2-,3+/m1/s1","InChI=1S/C4H8N2O/c1-3-2-4(6-5)7-3/h2-3,6H,5H2,1H3/t3-/m1/s1",87.4483,45.019859999999994,
8429,[C:1]([C@@:2]1([H:11])[O:3]/[C:4](=[N:5]\[H:12])[C@:6]1([N:7]([H:14])[H:15])[H:13])([H:8])([H:9])[H:10],[C:1](=[C:2]([O:3][C:4](=[N:5]\[H:12])/[C:6](=[N:7]\[H:15])[H:13])[H:11])([H:8])[H:10].[H:9][H:14],"InChI=1S/C4H8N2O/c1-2-3(5)4(6)7-2/h2-3,6H,5H2,1H3/b6-4-/t2-,3+/m1/s1","InChI=1S/C4H6N2O.H2/c1-2-7-4(6)3-5;/h2-3,5-6H,1H2;1H/b5-3-,6-4-;",61.87695,30.1347,
8430,[C:1]([C@@:2]1([H:11])[O:3]/[C:4](=[N:5]\[H:12])[C@:6]1([N:7]([H:14])[H:15])[H:13])([H:8])([H:9])[H:10],[C:1]([C-:2]=[O+:3]/[C:4](=[N:5]\[H:12])[C:6]([N:7]([H:14])[H:15])([H:11])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H8N2O/c1-2-3(5)4(6)7-2/h2-3,6H,5H2,1H3/b6-4-/t2-,3+/m1/s1","InChI=1S/C4H8N2O/c1-2-7-4(6)3-5/h6H,3,5H2,1H3/b6-4-",69.45573,51.802620000000005,
8431,[C:1]([C@@:2]1([H:11])[O:3]/[C:4](=[N:5]\[H:12])[C@:6]1([N:7]([H:14])[H:15])[H:13])([H:8])([H:9])[H:10],[C:1]([C@@:2]([O:3][N:7]([H:14])[H:15])([C:6](=[C:4]=[N:5][H:12])[H:13])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H8N2O/c1-2-3(5)4(6)7-2/h2-3,6H,5H2,1H3/b6-4-/t2-,3+/m1/s1","InChI=1S/C4H8N2O/c1-4(7-6)2-3-5/h2,4-5H,6H2,1H3/t4-/m1/s1",98.39641,48.93355,
8432,[C:1]([C@@:2]1([H:11])[O:3]/[C:4](=[N:5]\[H:12])[C@:6]1([N:7]([H:14])[H:15])[H:13])([H:8])([H:9])[H:10],[C:1]([C@@:2]([O:3][C:4]#[N:5])(/[C:6](=[N:7]/[H:14])[H:13])[H:11])([H:8])([H:9])[H:10].[H:12][H:15],"InChI=1S/C4H8N2O/c1-2-3(5)4(6)7-2/h2-3,6H,5H2,1H3/b6-4-/t2-,3+/m1/s1","InChI=1S/C4H6N2O.H2/c1-4(2-5)7-3-6;/h2,4-5H,1H3;1H/b5-2+;/t4-;/m1./s1",71.01724,30.862579999999998,
8433,[O:1]=[C:2]([C:3]1([C:6](=[O:7])[H:13])[C:4]([H:9])([H:10])[C:5]1([H:11])[H:12])[H:8],[O:1]=[C:2]([C:3]1([C:6][O:7][H:13])[C:4]([H:9])([H:10])[C:5]1([H:11])[H:12])[H:8],"InChI=1S/C5H6O2/c6-3-5(4-7)1-2-5/h3-4H,1-2H2","InChI=1S/C5H6O2/c6-3-5(4-7)1-2-5/h3,7H,1-2H2",78.44258,52.505919999999996,
8434,[O:1]=[C:2]([C:3]1([C:6](=[O:7])[H:13])[C:4]([H:9])([H:10])[C:5]1([H:11])[H:12])[H:8],[O:1]=[C:2]([C:5]([C:4]([C+:3]=[C:6]([O-:7])[H:13])([H:9])[H:10])([H:11])[H:12])[H:8],"InChI=1S/C5H6O2/c6-3-5(4-7)1-2-5/h3-4H,1-2H2","InChI=1S/C5H6O2/c6-4-2-1-3-5-7/h4-5H,1-2H2",70.34643,65.17424,
8435,[O:1]=[C:2]([C:3]1([C:6](=[O:7])[H:13])[C:4]([H:9])([H:10])[C:5]1([H:11])[H:12])[H:8],[C-:6]#[O+:7].[H:11][H:13].[O:1]=[C:2]([C:3]1=[C:5]([H:12])[C:4]1([H:9])[H:10])[H:8],"InChI=1S/C5H6O2/c6-3-5(4-7)1-2-5/h3-4H,1-2H2","InChI=1S/C4H4O.CO.H2/c5-3-4-1-2-4;1-2;/h1,3H,2H2;;1H",77.33658,57.71565,
8436,[O:1]=[C:2]([C:3]1([C:6](=[O:7])[H:13])[C:4]([H:9])([H:10])[C:5]1([H:11])[H:12])[H:8],[C-:6]#[O+:7].[O:1]=[C:2]([C:3]1([H:13])[C:4]([H:9])([H:10])[C:5]1([H:11])[H:12])[H:8],"InChI=1S/C5H6O2/c6-3-5(4-7)1-2-5/h3-4H,1-2H2","InChI=1S/C4H6O.CO/c5-3-4-1-2-4;1-2/h3-4H,1-2H2;",72.37536,2.70038,"1,2_Insertion_CO"
8437,[O:1]=[C:2]([C:3]1([C:6](=[O:7])[H:13])[C:4]([H:9])([H:10])[C:5]1([H:11])[H:12])[H:8],[O:1]([C:2](=[C:3]1[C:4]([H:9])([H:10])[C:5]1([H:11])[H:12])[H:8])[C:6](=[O:7])[H:13],"InChI=1S/C5H6O2/c6-3-5(4-7)1-2-5/h3-4H,1-2H2","InChI=1S/C5H6O2/c6-4-7-3-5-1-2-5/h3-4H,1-2H2",49.2027,16.228820000000002,ketoenol
8438,[O:1]=[C:2]([C:3]1([C:6](=[O:7])[H:13])[C:4]([H:9])([H:10])[C:5]1([H:11])[H:12])[H:8],[C:6](=[O:7])([H:8])[H:13].[O:1]=[C:2]=[C:3]1[C:4]([H:9])([H:10])[C:5]1([H:11])[H:12],"InChI=1S/C5H6O2/c6-3-5(4-7)1-2-5/h3-4H,1-2H2",InChI=1S/C4H4O.CH2O/c5-3-4-1-2-4;1-2/h1-2H2;1H2,61.12078,38.21113,
8439,[O:1]=[C:2]([C:3]1([C:6](=[O:7])[H:13])[C:4]([H:9])([H:10])[C:5]1([H:11])[H:12])[H:8],[O:1]=[C:2]([C:5]([C:3](=[C:4]([H:9])[H:10])[C:6](=[O:7])[H:13])([H:11])[H:12])[H:8],"InChI=1S/C5H6O2/c6-3-5(4-7)1-2-5/h3-4H,1-2H2","InChI=1S/C5H6O2/c1-5(4-7)2-3-6/h3-4H,1-2H2",66.08941,-4.12931,
8440,[O:1]=[C:2]([C:3]1([C:6](=[O:7])[H:13])[C:4]([H:9])([H:10])[C:5]1([H:11])[H:12])[H:8],[C:4](=[C:5]([H:11])[H:12])([H:9])[H:10].[O:1]=[C:2]([C:3](=[C:6]=[O:7])[H:13])[H:8],"InChI=1S/C5H6O2/c6-3-5(4-7)1-2-5/h3-4H,1-2H2",InChI=1S/C3H2O2.C2H4/c4-2-1-3-5;1-2/h1-2H;1-2H2,63.54048,12.27715,
8441,[O:1]=[C:2]([C:3]1([C:6](=[O:7])[H:13])[C:4]([H:9])([H:10])[C:5]1([H:11])[H:12])[H:8],[O:1]=[C:2]([C@:3]1([H:13])[C:5]([H:11])([H:12])[C:4]([H:9])([H:10])[C:6]1=[O:7])[H:8],"InChI=1S/C5H6O2/c6-3-5(4-7)1-2-5/h3-4H,1-2H2","InChI=1S/C5H6O2/c6-3-4-1-2-5(4)7/h3-4H,1-2H2/t4-/m0/s1",75.1597,-3.6656699999999995,
8442,[O:1]=[C:2]([C:3]1([C:6](=[O:7])[H:13])[C:4]([H:9])([H:10])[C:5]1([H:11])[H:12])[H:8],[O:1]=[C:2]([C:3]1=[C:6]([H:13])[O:7][C:4]([H:9])([H:10])[C:5]1([H:11])[H:12])[H:8],"InChI=1S/C5H6O2/c6-3-5(4-7)1-2-5/h3-4H,1-2H2","InChI=1S/C5H6O2/c6-3-5-1-2-7-4-5/h3-4H,1-2H2",31.53967,-8.20866,ketoenol
8443,[O:1]=[C:2]([C:3]1([C:6](=[O:7])[H:13])[C:4]([H:9])([H:10])[C:5]1([H:11])[H:12])[H:8],[C-:6]#[O+:7].[O:1]([C:2](=[C:3]1[C:4]([H:9])([H:10])[C:5]1([H:11])[H:12])[H:8])[H:13],"InChI=1S/C5H6O2/c6-3-5(4-7)1-2-5/h3-4H,1-2H2","InChI=1S/C4H6O.CO/c5-3-4-1-2-4;1-2/h3,5H,1-2H2;",46.55042,19.05463,
8444,[O:1]=[C:2]([C:3]1([C:6](=[O:7])[H:13])[C:4]([H:9])([H:10])[C:5]1([H:11])[H:12])[H:8],[H:8][H:9].[O+:1]#[C:2][C@:3]1([C:6](=[O:7])[H:13])[C-:4]([H:10])[C:5]1([H:11])[H:12],"InChI=1S/C5H6O2/c6-3-5(4-7)1-2-5/h3-4H,1-2H2","InChI=1S/C5H4O2.H2/c6-3-5(4-7)1-2-5;/h1,3H,2H2;1H/t5-;/m1./s1",109.00251000000002,76.42323,
8445,[O:1]=[C:2]([C:3]1([C:6](=[O:7])[H:13])[C:4]([H:9])([H:10])[C:5]1([H:11])[H:12])[H:8],[C:3]([C:4]([H:8])([H:9])[H:10])(=[C:5]([H:11])[H:12])[C:6](=[O:7])[H:13].[O+:1]#[C-:2],"InChI=1S/C5H6O2/c6-3-5(4-7)1-2-5/h3-4H,1-2H2","InChI=1S/C4H6O.CO/c1-4(2)3-5;1-2/h3H,1H2,2H3;",73.24098000000001,-4.527480000000001,
8446,[O:1]=[C:2]([C:3]1([C:6](=[O:7])[H:13])[C:4]([H:9])([H:10])[C:5]1([H:11])[H:12])[H:8],[O:1]=[C:2]([C:3]([C:4]([C:5]([H:11])([H:12])[H:13])([H:9])[H:10])=[C:6]=[O:7])[H:8],"InChI=1S/C5H6O2/c6-3-5(4-7)1-2-5/h3-4H,1-2H2","InChI=1S/C5H6O2/c1-2-5(3-6)4-7/h3H,2H2,1H3",39.55819,-14.37359,
8447,[C:1]([O:2][C:3](=[O:4])[C@@:5]([C:6]([H:12])([H:13])[H:14])([O:7][H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([O:2][C:3](=[O:4])[C:5](=[C:6]([H:12])[H:14])[H:11])([H:8])([H:9])[H:10].[O:7]([H:13])[H:15],"InChI=1S/C4H8O3/c1-3(5)4(6)7-2/h3,5H,1-2H3/t3-/m1/s1","InChI=1S/C4H6O2.H2O/c1-3-4(5)6-2;/h3H,1H2,2H3;1H2",62.09823000000001,13.69837,"1,3_Insertion_ROR"
8448,[C:1]([O:2][C:3](=[O:4])[C@@:5]([C:6]([H:12])([H:13])[H:14])([O:7][H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([O:2][C@@:3]([O:4][H:15])([C:5](=[O:7])[H:11])[C:6]([H:12])([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C4H8O3/c1-3(5)4(6)7-2/h3,5H,1-2H3/t3-/m1/s1","InChI=1S/C4H8O3/c1-4(6,3-5)7-2/h3,6H,1-2H3/t4-/m1/s1",52.78471,19.21201,
8449,[C:1]([O:2][C:3](=[O:4])[C@@:5]([C:6]([H:12])([H:13])[H:14])([O:7][H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([O:2][C:3](=[O:4])[C:5](=[O:7])[H:11])([H:8])([H:9])[H:10].[C:6]([H:12])([H:13])([H:14])[H:15],"InChI=1S/C4H8O3/c1-3(5)4(6)7-2/h3,5H,1-2H3/t3-/m1/s1","InChI=1S/C3H4O3.CH4/c1-6-3(5)2-4;/h2H,1H3;1H4",84.97162,17.04328,
8450,[C:1]([O:2][C:3](=[O:4])[C@@:5]([C:6]([H:12])([H:13])[H:14])([O:7][H:15])[H:11])([H:8])([H:9])[H:10],[C:1](=[O:2])([H:8])[H:9].[C:3](=[O:4])([C@@:5]([C:6]([H:12])([H:13])[H:14])([O:7][H:15])[H:11])[H:10],"InChI=1S/C4H8O3/c1-3(5)4(6)7-2/h3,5H,1-2H3/t3-/m1/s1","InChI=1S/C3H6O2.CH2O/c1-3(5)2-4;1-2/h2-3,5H,1H3;1H2/t3-;/m1./s1",70.08967,32.37393,
8451,[C:1]([O:2][C:3](=[O:4])[C@@:5]([C:6]([H:12])([H:13])[H:14])([O:7][H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([O:2]/[C:3]([O:4][H:15])=[C:5](\[C:6]([H:12])([H:13])[H:14])[O:7][H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H8O3/c1-3(5)4(6)7-2/h3,5H,1-2H3/t3-/m1/s1","InChI=1S/C4H8O3/c1-3(5)4(6)7-2/h5-6H,1-2H3/b4-3+",64.71300000000001,23.45341,ketoenol
8452,[C:1]([O:2][C:3](=[O:4])[C@@:5]([C:6]([H:12])([H:13])[H:14])([O:7][H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]([O-:4])=[C+:5][O:7][H:15])([H:8])([H:9])[H:10].[C:6]([H:11])([H:12])([H:13])[H:14],"InChI=1S/C4H8O3/c1-3(5)4(6)7-2/h3,5H,1-2H3/t3-/m1/s1","InChI=1S/C3H4O3.CH4/c1-6-3(5)2-4;/h1H3,(H-,4,5);1H4",67.94067,62.88035,
8453,[C:1]([O:2][C:3](=[O:4])[C@@:5]([C:6]([H:12])([H:13])[H:14])([O:7][H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([O:2][C@:3]1([O:4][H:15])[C@:5]([C:6]([H:12])([H:13])[H:14])([H:11])[O:7]1)([H:8])([H:9])[H:10],"InChI=1S/C4H8O3/c1-3(5)4(6)7-2/h3,5H,1-2H3/t3-/m1/s1","InChI=1S/C4H8O3/c1-3-4(5,6-2)7-3/h3,5H,1-2H3/t3-,4-/m1/s1",48.56503,32.46329,
8454,[C:1]([O:2][C:3](=[O:4])[C@@:5]([C:6]([H:12])([H:13])[H:14])([O:7][H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([O:2][C@:3]([O:4][H:15])([C:5]([C:6]([H:12])([H:13])[H:14])=[O:7])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H8O3/c1-3(5)4(6)7-2/h3,5H,1-2H3/t3-/m1/s1","InChI=1S/C4H8O3/c1-3(5)4(6)7-2/h4,6H,1-2H3/t4-/m0/s1",48.7661,14.05366,
8455,[C:1]([O:2][C:3](=[O:4])[C@@:5]([C:6]([H:12])([H:13])[H:14])([O:7][H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([O+:2]=[C-:3][O:4][C@@:5]([C:6]([H:12])([H:13])[H:14])([O:7][H:15])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H8O3/c1-3(5)4(6)7-2/h3,5H,1-2H3/t3-/m1/s1","InChI=1S/C4H8O3/c1-4(5)7-3-6-2/h4-5H,1-2H3/t4-/m0/s1",87.21063000000001,53.64479,
8456,[C:1]([O:2][C:3](=[O:4])[C@@:5]([C:6]([H:12])([H:13])[H:14])([O:7][H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([O:2][H:11])([H:8])([H:9])[H:10].[C:3](=[O:4])=[C:5]([C:6]([H:12])([H:13])[H:14])[O:7][H:15],"InChI=1S/C4H8O3/c1-3(5)4(6)7-2/h3,5H,1-2H3/t3-/m1/s1","InChI=1S/C3H4O2.CH4O/c1-3(5)2-4;1-2/h5H,1H3;2H,1H3",70.46205,45.38661,"1,3_Insertion_ROR"
8457,[C:1]([O:2][C:3](=[O:4])[C@@:5]([C:6]([H:12])([H:13])[H:14])([O:7][H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([C:6]([C@:5]([C:3]([O:2][H:12])=[O:4])([O:7][H:15])[H:11])([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C4H8O3/c1-3(5)4(6)7-2/h3,5H,1-2H3/t3-/m1/s1","InChI=1S/C4H8O3/c1-2-3(5)4(6)7/h3,5H,2H2,1H3,(H,6,7)/t3-/m1/s1",70.31772,-7.53693,
8458,[C:1]([O:2][C:3](=[O:4])[C@@:5]([C:6]([H:12])([H:13])[H:14])([O:7][H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([O:2][H:13])([H:8])([H:9])[H:10].[C:3]1(=[O:4])[C@@:5]([O:7][H:15])([H:11])[C:6]1([H:12])[H:14],"InChI=1S/C4H8O3/c1-3(5)4(6)7-2/h3,5H,1-2H3/t3-/m1/s1","InChI=1S/C3H4O2.CH4O/c4-2-1-3(2)5;1-2/h2,4H,1H2;2H,1H3/t2-;/m1./s1",83.89475,62.50996,
8459,[C:1]([O:2][C:3](=[O:4])[C@@:5]([C:6]([H:12])([H:13])[H:14])([O:7][H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([O:2][C:3](=[O:4])[C:6]([C:5](=[O:7])[H:11])([H:12])[H:14])([H:8])([H:9])[H:10].[H:13][H:15],"InChI=1S/C4H8O3/c1-3(5)4(6)7-2/h3,5H,1-2H3/t3-/m1/s1","InChI=1S/C4H6O3.H2/c1-7-4(6)2-3-5;/h3H,2H2,1H3;1H",89.66515,24.03255,
8460,[C:1]([O:2][C:3](=[O:4])[C@@:5]([C:6]([H:12])([H:13])[H:14])([O:7][H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([O:2][C@:5]([C:3](=[O:4])[O:7][H:15])([C:6]([H:12])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H8O3/c1-3(5)4(6)7-2/h3,5H,1-2H3/t3-/m1/s1","InChI=1S/C4H8O3/c1-3(7-2)4(5)6/h3H,1-2H3,(H,5,6)/t3-/m0/s1",90.96304,4.55075,
8461,[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C@@:4]3([H:13])[C@@:5]([H:14])([C:6]1([H:15])[H:16])[C@@:7]23[H:17])([H:8])([H:9])[H:10],[C:1]([C:2]12[C:3]([H:11])([H:12])[C:4]([H:13])([C:5][C:6]1([H:15])[H:16])[C:7]2([H:14])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C7H10/c1-7-2-4-5(3-7)6(4)7/h4-6H,2-3H2,1H3/t4-,5+,6-,7+","InChI=1S/C7H10/c1-7-3-2-6(4-7)5-7/h6H,3-5H2,1H3",57.56213,47.458259999999996,
8462,[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C@@:4]3([H:13])[C@@:5]([H:14])([C:6]1([H:15])[H:16])[C@@:7]23[H:17])([H:8])([H:9])[H:10],[C:1]([C:6]([C@:5]1([H:14])[C@:4]2([H:13])[C:3]([H:11])([H:12])[C:2][C@@:7]21[H:17])([H:15])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C7H10/c1-7-2-4-5(3-7)6(4)7/h4-6H,2-3H2,1H3/t4-,5+,6-,7+","InChI=1S/C7H10/c1-2-5-6-3-4-7(5)6/h5-7H,2-3H2,1H3/t5-,6+,7-/m1/s1",112.42386,50.08234,
8463,[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C@@:4]3([H:13])[C@@:5]([H:14])([C:6]1([H:15])[H:16])[C@@:7]23[H:17])([H:8])([H:9])[H:10],[C:1]([C:2]12[C:3]([H:11])([H:12])[C:4]([H:13])([C:6]1([H:15])[H:16])[C@:7]2([C:5][H:14])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C7H10/c1-7-2-4-5(3-7)6(4)7/h4-6H,2-3H2,1H3/t4-,5+,6-,7+","InChI=1S/C7H10/c1-5-6-3-7(5,2)4-6/h1,5-6H,3-4H2,2H3/t5-,6?,7?/m1/s1",110.82235,83.26259,
8464,[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C@@:4]3([H:13])[C@@:5]([H:14])([C:6]1([H:15])[H:16])[C@@:7]23[H:17])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:7]([H:17])[C@@:4]([C:5](=[C:6]([H:15])[H:16])[H:14])([H:13])[C:3]1([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C7H10/c1-7-2-4-5(3-7)6(4)7/h4-6H,2-3H2,1H3/t4-,5+,6-,7+","InChI=1S/C7H10/c1-3-7-4-6(2)5-7/h3-4,7H,1,5H2,2H3/t7-/m0/s1",47.619009999999996,-15.74974,
8465,[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C@@:4]3([H:13])[C@@:5]([H:14])([C:6]1([H:15])[H:16])[C@@:7]23[H:17])([H:8])([H:9])[H:10],[C:1]([C@:2]1([H:16])[C:3]([H:11])([H:12])[C@@:4]2([H:13])[C@:5]([C:6][H:15])([H:14])[C@@:7]12[H:17])([H:8])([H:9])[H:10],"InChI=1S/C7H10/c1-7-2-4-5(3-7)6(4)7/h4-6H,2-3H2,1H3/t4-,5+,6-,7+","InChI=1S/C7H10/c1-4-3-6-5(2)7(4)6/h2,4-7H,3H2,1H3/t4-,5-,6+,7-/m1/s1",76.79851,66.82597,
8466,[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C@@:4]3([H:13])[C@@:5]([H:14])([C:6]1([H:15])[H:16])[C@@:7]23[H:17])([H:8])([H:9])[H:10],[C:1]([C:2]12[C:3]([H:11])([H:12])[C:5]([H:14])([C:4]([H:13])=[C:7]1[H:17])[C:6]2([H:15])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C7H10/c1-7-2-4-5(3-7)6(4)7/h4-6H,2-3H2,1H3/t4-,5+,6-,7+","InChI=1S/C7H10/c1-7-3-2-6(4-7)5-7/h2-3,6H,4-5H2,1H3",66.53401,-11.21162,
8467,[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C@@:4]3([H:13])[C@@:5]([H:14])([C:6]1([H:15])[H:16])[C@@:7]23[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C@@:4]([H:13])([C:5]([H:14])([H:17])[C:6]1([H:15])[H:16])[C:7]2)([H:8])([H:9])[H:10],"InChI=1S/C7H10/c1-7-2-4-5(3-7)6(4)7/h4-6H,2-3H2,1H3/t4-,5+,6-,7+","InChI=1S/C7H10/c1-7-3-2-6(4-7)5-7/h6H,2-4H2,1H3/t6-,7+/m1/s1",54.316019999999995,40.27841,
8468,[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C@@:4]3([H:13])[C@@:5]([H:14])([C:6]1([H:15])[H:16])[C@@:7]23[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:7]1([H:17])[C@@:4]2([H:13])[C:3]([H:11])([H:12])[C:2][C:6]([H:15])([H:16])[C@:5]21[H:14])([H:8])([H:9])[H:10],"InChI=1S/C7H10/c1-7-2-4-5(3-7)6(4)7/h4-6H,2-3H2,1H3/t4-,5+,6-,7+","InChI=1S/C7H10/c1-5-6-3-2-4-7(5)6/h5-7H,3-4H2,1H3/t5-,6+,7-",98.24556,41.62931,
8469,[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C@@:4]3([H:13])[C@@:5]([H:14])([C:6]1([H:15])[H:16])[C@@:7]23[H:17])([H:8])([H:9])[H:10],[C:1]([C:6]([C@@:2]12[C:3]([H:11])([H:12])[C@@:4]3([H:13])[C@:5]1([H:14])[C@@:7]23[H:17])([H:15])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C7H10/c1-7-2-4-5(3-7)6(4)7/h4-6H,2-3H2,1H3/t4-,5+,6-,7+","InChI=1S/C7H10/c1-2-7-3-4-5(7)6(4)7/h4-6H,2-3H2,1H3/t4-,5+,6-,7+",102.8658,19.62302,
8470,[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C@@:4]3([H:13])[C@@:5]([H:14])([C:6]1([H:15])[H:16])[C@@:7]23[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([C:3](=[C:4]([H:12])[H:13])[H:11])[C:6]([H:15])([H:16])[C:5]([H:14])=[C:7]1[H:17])([H:8])([H:9])[H:10],"InChI=1S/C7H10/c1-7-2-4-5(3-7)6(4)7/h4-6H,2-3H2,1H3/t4-,5+,6-,7+","InChI=1S/C7H10/c1-3-7(2)5-4-6-7/h3-5H,1,6H2,2H3/t7-/m0/s1",75.70153,-12.09034,
8471,[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C@@:4]3([H:13])[C@@:5]([H:14])([C:6]1([H:15])[H:16])[C@@:7]23[H:17])([H:8])([H:9])[H:10],[C:1]([C@:2]12[C:3]([H:11])([H:12])[C:4][C@@:7]1([H:17])[C:5]([H:13])([H:14])[C:6]2([H:15])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C7H10/c1-7-2-4-5(3-7)6(4)7/h4-6H,2-3H2,1H3/t4-,5+,6-,7+","InChI=1S/C7H10/c1-7-4-2-6(7)3-5-7/h6H,2,4-5H2,1H3/t6-,7+/m1/s1",57.825480000000006,60.65733,
8472,[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C@@:4]3([H:13])[C@@:5]([H:14])([C:6]1([H:15])[H:16])[C@@:7]23[H:17])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:16].[C:2]12=[C:6]([H:15])[C@:5]3([H:14])[C@:4]([H:13])([C:3]1([H:11])[H:12])[C@:7]23[H:17],"InChI=1S/C7H10/c1-7-2-4-5(3-7)6(4)7/h4-6H,2-3H2,1H3/t4-,5+,6-,7+","InChI=1S/C6H6.CH4/c1-3-2-5-4(1)6(3)5;/h1,4-6H,2H2;1H4/t4-,5+,6-;/m1./s1",129.8036,76.40693,
8473,[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C@@:4]3([H:13])[C@@:5]([H:14])([C:6]1([H:15])[H:16])[C@@:7]23[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:17])[C:3]([H:11])([H:12])[C@@:4]2([H:13])[C@@:5]([H:14])([C:6]1([H:15])[H:16])[C:7]2)([H:8])([H:9])[H:10],"InChI=1S/C7H10/c1-7-2-4-5(3-7)6(4)7/h4-6H,2-3H2,1H3/t4-,5+,6-,7+","InChI=1S/C7H10/c1-5-2-6-4-7(6)3-5/h5-7H,2-3H2,1H3/t5-,6+,7-",49.01679,44.70216,
8474,[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C@@:4]3([H:13])[C@@:5]([H:14])([C:6]1([H:15])[H:16])[C@@:7]23[H:17])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:7]([H:17])[C@@:4]2([H:13])[C:3]([H:11])([H:12])[C@@:5]2([H:14])[C:6]1([H:15])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C7H10/c1-7-2-4-5(3-7)6(4)7/h4-6H,2-3H2,1H3/t4-,5+,6-,7+","InChI=1S/C7H10/c1-5-2-6-4-7(6)3-5/h2,6-7H,3-4H2,1H3/t6-,7+/m0/s1",88.96263,-32.81519,
8475,[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C@@:4]3([H:13])[C@@:5]([H:14])([C:6]1([H:15])[H:16])[C@@:7]23[H:17])([H:8])([H:9])[H:10],[C:1](=[C:2]1[C:3]([H:11])([H:12])[C@@:4]2([H:13])[C@@:5]3([H:14])[C@:6]1([H:16])[C@@:7]23[H:17])([H:8])[H:9].[H:10][H:15],"InChI=1S/C7H10/c1-7-2-4-5(3-7)6(4)7/h4-6H,2-3H2,1H3/t4-,5+,6-,7+","InChI=1S/C7H8.H2/c1-3-2-4-6-5(3)7(4)6;/h4-7H,1-2H2;1H/t4-,5+,6-,7+;",87.1408,16.65387,
8476,[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C@@:4]3([H:13])[C@@:5]([H:14])([C:6]1([H:15])[H:16])[C@@:7]23[H:17])([H:8])([H:9])[H:10],[C:1]([C@:2]12[C:3]([H:11])([H:12])[C@@:7]1([H:17])[C:4]([H:13])=[C:5]([H:14])[C:6]2([H:15])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C7H10/c1-7-2-4-5(3-7)6(4)7/h4-6H,2-3H2,1H3/t4-,5+,6-,7+","InChI=1S/C7H10/c1-7-4-2-3-6(7)5-7/h2-3,6H,4-5H2,1H3/t6-,7+/m1/s1",75.48414,-31.312,
8477,[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C@@:4]3([H:13])[C@@:5]([H:14])([C:6]1([H:15])[H:16])[C@@:7]23[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]12[C@@:3]3([H:12])[C:4]([H:11])([H:13])[C@@:5]([H:14])([C:6]1([H:15])[H:16])[C@@:7]23[H:17])([H:8])([H:9])[H:10],"InChI=1S/C7H10/c1-7-2-4-5(3-7)6(4)7/h4-6H,2-3H2,1H3/t4-,5+,6-,7+","InChI=1S/C7H10/c1-7-3-4-2-5(7)6(4)7/h4-6H,2-3H2,1H3/t4-,5-,6+,7-/m0/s1",86.20039,0.6311899999999999,
8478,[C:1]([O:2][C:3]([C@@:4]([C:5]([H:14])([H:15])[H:16])([C:6](=[O:7])[H:17])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C:3](/[C:4](=[C:6](/[O:7][C:5]([H:14])([H:15])[H:16])[H:17])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-5(3-6)4-7-2/h3,5H,4H2,1-2H3/t5-/m0/s1","InChI=1S/C5H10O2/c1-6-4-3-5-7-2/h3-4H,5H2,1-2H3/b4-3+",79.47378,17.75013,ketoenol
8479,[C:1]([O:2][C:3]([C@@:4]([C:5]([H:14])([H:15])[H:16])([C:6](=[O:7])[H:17])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]([O:7]/[C:6](=[C:4](\[C:5]([H:14])([H:15])[H:16])[H:13])[H:17])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-5(3-6)4-7-2/h3,5H,4H2,1-2H3/t5-/m0/s1","InChI=1S/C5H10O2/c1-3-4-7-5-6-2/h3-4H,5H2,1-2H3/b4-3-",57.956,11.191360000000001,ketoenol
8480,[C:1]([O:2][C:3]([C@@:4]([C:5]([H:14])([H:15])[H:16])([C:6](=[O:7])[H:17])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2]/[C:3](=[C:4](\[C:5]([H:14])([H:15])[H:16])[H:13])[H:11])([H:8])([H:9])[H:10].[C:6](=[O:7])([H:12])[H:17],"InChI=1S/C5H10O2/c1-5(3-6)4-7-2/h3,5H,4H2,1-2H3/t5-/m0/s1","InChI=1S/C4H8O.CH2O/c1-3-4-5-2;1-2/h3-4H,1-2H3;1H2/b4-3-;",58.051880000000004,23.988220000000002,
8481,[C:1]([O:2][C:3]([C@@:4]([C:5]([H:14])([H:15])[H:16])([C:6](=[O:7])[H:17])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:12].[O:2]=[C:3]([C:4]([C:5]([H:14])([H:15])[H:16])([C:6](=[O:7])[H:17])[H:13])[H:11],"InChI=1S/C5H10O2/c1-5(3-6)4-7-2/h3,5H,4H2,1-2H3/t5-/m0/s1","InChI=1S/C4H6O2.CH4/c1-4(2-5)3-6;/h2-4H,1H3;1H4",121.05406,-5.458480000000001,
8482,[C:1]([O:2][C:3]([C@@:4]([C:5]([H:14])([H:15])[H:16])([C:6](=[O:7])[H:17])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]([C@@:4]([C:5]([H:14])([H:15])[H:16])([O+:7]=[C-:6][H:17])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-5(3-6)4-7-2/h3,5H,4H2,1-2H3/t5-/m0/s1","InChI=1S/C5H10O2/c1-5(7-3)4-6-2/h3,5H,4H2,1-2H3/t5-/m1/s1",108.48001000000001,66.2854,
8483,[C:1]([O:2][C:3]([C@@:4]([C:5]([H:14])([H:15])[H:16])([C:6](=[O:7])[H:17])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C-:6]#[O+:7].[C:1]([O:2][C:3]([C:4]([C:5]([H:14])([H:15])[H:16])([H:8])[H:13])([H:11])[H:12])([H:9])([H:10])[H:17],"InChI=1S/C5H10O2/c1-5(3-6)4-7-2/h3,5H,4H2,1-2H3/t5-/m0/s1","InChI=1S/C4H10O.CO/c1-3-4-5-2;1-2/h3-4H2,1-2H3;",89.04826,-0.31701999999999997,"1,2_Insertion_CO"
8484,[C:1]([O:2][C:3]([C@@:4]([C:5]([H:14])([H:15])[H:16])([C:6](=[O:7])[H:17])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:7][C@@:6]1([H:17])[O:2][C:3]([H:11])([H:12])[C@:4]1([C:5]([H:14])([H:15])[H:16])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-5(3-6)4-7-2/h3,5H,4H2,1-2H3/t5-/m0/s1","InChI=1S/C5H10O2/c1-4-3-7-5(4)6-2/h4-5H,3H2,1-2H3/t4-,5+/m1/s1",72.6336,12.56985,
8485,[C:1]([O:2][C:3]([C@@:4]([C:5]([H:14])([H:15])[H:16])([C:6](=[O:7])[H:17])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C-:6]#[O+:7].[C:1]([O:2][C:3]([C:4](=[C:5]([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10].[H:14][H:17],"InChI=1S/C5H10O2/c1-5(3-6)4-7-2/h3,5H,4H2,1-2H3/t5-/m0/s1","InChI=1S/C4H8O.CO.H2/c1-3-4-5-2;1-2;/h3H,1,4H2,2H3;;1H",61.05607,31.507379999999998,
8486,[C:1]([O:2][C:3]([C@@:4]([C:5]([H:14])([H:15])[H:16])([C:6](=[O:7])[H:17])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O+:2]=[C-:3][H:11])([H:8])([H:9])[H:10].[C:4]([C:5]([H:14])([H:15])[H:16])([C:6](=[O:7])[H:17])([H:12])[H:13],"InChI=1S/C5H10O2/c1-5(3-6)4-7-2/h3,5H,4H2,1-2H3/t5-/m0/s1","InChI=1S/C3H6O.C2H4O/c1-2-3-4;1-3-2/h3H,2H2,1H3;1H,2H3",62.91137,67.6853,
8487,[C:1]([O:2][C:3]([C@@:4]([C:5]([H:14])([H:15])[H:16])([C:6](=[O:7])[H:17])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C:6](=[O:7])[H:17])([H:8])([H:9])[H:10].[C:3](=[C:4]([C:5]([H:14])([H:15])[H:16])[H:13])([H:11])[H:12],"InChI=1S/C5H10O2/c1-5(3-6)4-7-2/h3,5H,4H2,1-2H3/t5-/m0/s1","InChI=1S/C3H6.C2H4O2/c1-3-2;1-4-2-3/h3H,1H2,2H3;2H,1H3",47.86445,-0.9116700000000001,
8488,[C:1]([O:2][C:3]([C@@:4]([C:5]([H:14])([H:15])[H:16])([C:6](=[O:7])[H:17])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C:3](/[C:4]([C:5]([H:14])([H:15])[H:16])=[C:6](/[O:7][H:13])[H:17])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-5(3-6)4-7-2/h3,5H,4H2,1-2H3/t5-/m0/s1","InChI=1S/C5H10O2/c1-5(3-6)4-7-2/h3,6H,4H2,1-2H3/b5-3+",65.8876,5.0849400000000005,ketoenol
8489,[C:1]([O:2][C:3]([C@@:4]([C:5]([H:14])([H:15])[H:16])([C:6](=[O:7])[H:17])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]([C:6](=[O:7])[H:17])([H:11])[H:12])([H:8])([H:9])[H:10].[C:4](=[C:5]([H:15])[H:16])([H:13])[H:14],"InChI=1S/C5H10O2/c1-5(3-6)4-7-2/h3,5H,4H2,1-2H3/t5-/m0/s1","InChI=1S/C3H6O2.C2H4/c1-5-3-2-4;1-2/h2H,3H2,1H3;1-2H2",90.73756,26.382609999999996,
8490,[C:1]([O:2][C:3]([C@@:4]([C:5]([H:14])([H:15])[H:16])([C:6](=[O:7])[H:17])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][H:17])([H:8])([H:9])[H:10].[C:3]1([H:11])([H:12])[C@:4]([C:5]([H:14])([H:15])[H:16])([H:13])[C:6]1=[O:7],"InChI=1S/C5H10O2/c1-5(3-6)4-7-2/h3,5H,4H2,1-2H3/t5-/m0/s1","InChI=1S/C4H6O.CH4O/c1-3-2-4(3)5;1-2/h3H,2H2,1H3;2H,1H3/t3-;/m1./s1",87.36999,28.20219,
8491,[C:1]([O:2][C:3]([C@@:4]([C:5]([H:14])([H:15])[H:16])([C:6](=[O:7])[H:17])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][H:13])([H:8])([H:9])[H:10].[C:3](=[C:4]([C:5]([H:14])([H:15])[H:16])[C:6](=[O:7])[H:17])([H:11])[H:12],"InChI=1S/C5H10O2/c1-5(3-6)4-7-2/h3,5H,4H2,1-2H3/t5-/m0/s1","InChI=1S/C4H6O.CH4O/c1-4(2)3-5;1-2/h3H,1H2,2H3;2H,1H3",48.26644,6.36055,"1,3_Insertion_ROR"
8492,[C:1]([O:2][C:3]([C@@:4]([C:5]([H:14])([H:15])[H:16])([C:6](=[O:7])[H:17])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](=[O:2])([H:9])[H:10].[C:3]([C:4]([C:5]([H:14])([H:15])[H:16])([C:6](=[O:7])[H:17])[H:13])([H:8])([H:11])[H:12],"InChI=1S/C5H10O2/c1-5(3-6)4-7-2/h3,5H,4H2,1-2H3/t5-/m0/s1","InChI=1S/C4H8O.CH2O/c1-4(2)3-5;1-2/h3-4H,1-2H3;1H2",77.25129,4.68888,
8493,[C:1]([O:2][C:3]([C@@:4]([C:5]([H:14])([H:15])[H:16])([C:6](=[O:7])[H:17])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C:5]([H:14])([H:15])[H:16])([H:8])([H:9])[H:10].[C:3](=[C:4]([C:6](=[O:7])[H:17])[H:13])([H:11])[H:12],"InChI=1S/C5H10O2/c1-5(3-6)4-7-2/h3,5H,4H2,1-2H3/t5-/m0/s1","InChI=1S/C3H4O.C2H6O/c1-2-3-4;1-3-2/h2-3H,1H2;1-2H3",74.63176,20.57186,
8494,[C:1]([O:2][C:3]([C@@:4]([C:5]([H:14])([H:15])[H:16])([C:6](=[O:7])[H:17])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]([C@@:6]1([H:17])[C@:4]([C:5]([H:14])([H:15])[H:16])([H:13])[O:7]1)([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-5(3-6)4-7-2/h3,5H,4H2,1-2H3/t5-/m0/s1","InChI=1S/C5H10O2/c1-4-5(7-4)3-6-2/h4-5H,3H2,1-2H3/t4-,5+/m1/s1",71.80973,21.693839999999998,
8495,[C:1]([O:2][C:3]([C@@:4]([C:5]([H:14])([H:15])[H:16])([C:6](=[O:7])[H:17])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2]/[C:3](=[C:4](/[C:5]([H:14])([H:15])[H:16])[C:6](=[O:7])[H:17])[H:11])([H:8])([H:9])[H:10].[H:12][H:13],"InChI=1S/C5H10O2/c1-5(3-6)4-7-2/h3,5H,4H2,1-2H3/t5-/m0/s1","InChI=1S/C5H8O2.H2/c1-5(3-6)4-7-2;/h3-4H,1-2H3;1H/b5-4-;",86.94542,17.12828,
8496,[C:1]([O:2][C:3]([C@@:4]([C:5]([H:14])([H:15])[H:16])([C:6](=[O:7])[H:17])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]([C:4](=[C:6]=[O:7])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10].[C:5]([H:14])([H:15])([H:16])[H:17],"InChI=1S/C5H10O2/c1-5(3-6)4-7-2/h3,5H,4H2,1-2H3/t5-/m0/s1","InChI=1S/C4H6O2.CH4/c1-6-4-2-3-5;/h2H,4H2,1H3;1H4",76.09764,14.09027,
8497,[C:1]([O:2][C:3]([C@@:4]([C:5]([H:14])([H:15])[H:16])([C:6](=[O:7])[H:17])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C@:3]1([H:11])[C@:6]([C:4]([C:5]([H:14])([H:15])[H:16])([H:12])[H:13])([H:17])[O:7]1)([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-5(3-6)4-7-2/h3,5H,4H2,1-2H3/t5-/m0/s1","InChI=1S/C5H10O2/c1-3-4-5(6-2)7-4/h4-5H,3H2,1-2H3/t4-,5+/m1/s1",63.815580000000004,14.469970000000002,
8498,[C:1]([O:2][C:3]([C:4]([H:11])([H:12])[H:13])([C:5]([H:14])([H:15])[H:16])[C:6]#[N:7])([H:8])([H:9])[H:10],[C:1](=[O:2])([H:8])[H:10].[C:3]([C:4]([H:11])([H:12])[H:13])([C:5]([H:14])([H:15])[H:16])=[C:6]=[N:7][H:9],"InChI=1S/C5H9NO/c1-5(2,4-6)7-3/h1-3H3","InChI=1S/C4H7N.CH2O/c1-4(2)3-5;1-2/h5H,1-2H3;1H2",41.09497,25.530829999999998,Retroene
8499,[C:1]([O:2][C:3]([C:4]([H:11])([H:12])[H:13])([C:5]([H:14])([H:15])[H:16])[C:6]#[N:7])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]([C:4]([H:11])([H:12])[H:13])=[C:6]=[N:7][C:5]([H:14])([H:15])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-5(2,4-6)7-3/h1-3H3",InChI=1S/C5H9NO/c1-5(7-3)4-6-2/h1-3H3,99.61932,27.312170000000002,
8500,[C:1]([O:2][C:3]([C:4]([H:11])([H:12])[H:13])([C:5]([H:14])([H:15])[H:16])[C:6]#[N:7])([H:8])([H:9])[H:10],[C:1](=[O:2])([H:8])[H:10].[C:3]1([C:4]([H:11])([H:12])[H:13])([C:5]([H:14])([H:15])[H:16])[C:6]([H:9])=[N:7]1,"InChI=1S/C5H9NO/c1-5(2,4-6)7-3/h1-3H3","InChI=1S/C4H7N.CH2O/c1-4(2)3-5-4;1-2/h3H,1-2H3;1H2",63.38921,46.342859999999995,
8501,[C:1]([O:2][C:3]([C:4]([H:11])([H:12])[H:13])([C:5]([H:14])([H:15])[H:16])[C:6]#[N:7])([H:8])([H:9])[H:10],[C:1]([O:2][N:7]=[C:6]=[C:3]([C:4]([H:11])([H:12])[H:13])[C:5]([H:14])([H:15])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-5(2,4-6)7-3/h1-3H3",InChI=1S/C5H9NO/c1-5(2)4-6-7-3/h1-3H3,70.26426,48.11444,
8502,[C:1]([O:2][C:3]([C:4]([H:11])([H:12])[H:13])([C:5]([H:14])([H:15])[H:16])[C:6]#[N:7])([H:8])([H:9])[H:10],[C:1]([C:6]#[N:7])([H:8])([H:9])[H:10].[O:2]=[C:3]([C:4]([H:11])([H:12])[H:13])[C:5]([H:14])([H:15])[H:16],"InChI=1S/C5H9NO/c1-5(2,4-6)7-3/h1-3H3",InChI=1S/C3H6O.C2H3N/c1-3(2)4;1-2-3/h1-2H3;1H3,78.52103000000001,-8.77689,
8503,[C:1]([O:2][C:3]([C:4]([H:11])([H:12])[H:13])([C:5]([H:14])([H:15])[H:16])[C:6]#[N:7])([H:8])([H:9])[H:10],[C:1]([O:2][C@:3]1([C:5]([H:14])([H:15])[H:16])[C:4]([H:11])([H:13])/[C:6]1=[N:7]\[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-5(2,4-6)7-3/h1-3H3","InChI=1S/C5H9NO/c1-5(7-2)3-4(5)6/h6H,3H2,1-2H3/b6-4+/t5-/m1/s1",104.12468,32.44109,
8504,[C:1]([O:2][C:3]([C:4]([H:11])([H:12])[H:13])([C:5]([H:14])([H:15])[H:16])[C:6]#[N:7])([H:8])([H:9])[H:10],[C:1]([O:2][C:6]1=[N:7][C:3]1([C:4]([H:11])([H:12])[H:13])[C:5]([H:14])([H:15])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-5(2,4-6)7-3/h1-3H3",InChI=1S/C5H9NO/c1-5(2)4(6-5)7-3/h1-3H3,64.5882,25.89411,
8505,[C:1]([O:2][C:3]([C:4]([H:11])([H:12])[H:13])([C:5]([H:14])([H:15])[H:16])[C:6]#[N:7])([H:8])([H:9])[H:10],[C:1](=[O+:2][C:3]([C:5]([H:14])([H:15])[H:16])=[C:6]=[N-:7])([H:8])[H:10].[C:4]([H:9])([H:11])([H:12])[H:13],"InChI=1S/C5H9NO/c1-5(2,4-6)7-3/h1-3H3","InChI=1S/C4H5NO.CH4/c1-4(3-5)6-2;/h2H2,1H3;1H4",70.22754,44.264179999999996,
8506,[C:1]([O:2][C:3]([C:4]([H:11])([H:12])[H:13])([C:5]([H:14])([H:15])[H:16])[C:6]#[N:7])([H:8])([H:9])[H:10],[C:1]1([H:8])([H:10])[O:2][C:3]([C:4]([H:11])([H:12])[H:13])([C:5]([H:14])([H:15])[H:16])[C:6][N:7]1[H:9],"InChI=1S/C5H9NO/c1-5(2,4-6)7-3/h1-3H3","InChI=1S/C5H9NO/c1-5(2)3-6-4-7-5/h6H,4H2,1-2H3",68.75995,35.449290000000005,
8507,[C:1]([O:2][C:3]([C:4]([H:11])([H:12])[H:13])([C:5]([H:14])([H:15])[H:16])[C:6]#[N:7])([H:8])([H:9])[H:10],[C:1]1([H:8])([H:10])[C:6]([C:3]([O:2][H:9])([C:4]([H:11])([H:12])[H:13])[C:5]([H:14])([H:15])[H:16])=[N:7]1,"InChI=1S/C5H9NO/c1-5(2,4-6)7-3/h1-3H3","InChI=1S/C5H9NO/c1-5(2,7)4-3-6-4/h7H,3H2,1-2H3",90.20748,23.38028,
8508,[C:1]([O:2][C:3]([C:4]([H:11])([H:12])[H:13])([C:5]([H:14])([H:15])[H:16])[C:6]#[N:7])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]([C:4]([H:11])([H:12])[H:13])([C:5]([H:14])([H:15])[H:16])[N+:7]#[C-:6])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-5(2,4-6)7-3/h1-3H3","InChI=1S/C5H9NO/c1-5(2,6-3)7-4/h1-2,4H3",47.601890000000004,20.94954,
8509,[C:1]([O:2][C:3]([C:4]([H:11])([H:12])[H:13])([C:5]([H:14])([H:15])[H:16])[C:6]#[N:7])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:12].[O:2]=[C:3]([C:4]([C:5]([H:14])([H:15])[H:16])([H:11])[H:13])[C:6]#[N:7],"InChI=1S/C5H9NO/c1-5(2,4-6)7-3/h1-3H3","InChI=1S/C4H5NO.CH4/c1-2-4(6)3-5;/h2H2,1H3;1H4",81.14256999999999,-2.4575,
8510,[C:1]([O:2][C:3]([C:4]([H:11])([H:12])[H:13])([C:5]([H:14])([H:15])[H:16])[C:6]#[N:7])([H:8])([H:9])[H:10],[C:1]([O:2][C:3](=[C:4]([H:11])[H:13])[C:5]([H:14])([H:15])[H:16])([H:8])([H:9])[H:10].[C:6](#[N:7])[H:12],"InChI=1S/C5H9NO/c1-5(2,4-6)7-3/h1-3H3","InChI=1S/C4H8O.CHN/c1-4(2)5-3;1-2/h1H2,2-3H3;1H",53.28589,24.66249,
8511,[C:1]([O:2][C:3]([C:4]([H:11])([H:12])[H:13])([C:5]([H:14])([H:15])[H:16])[C:6]#[N:7])([H:8])([H:9])[H:10],[C-:1]([O+:2]=[C:3]([C:4]([H:11])([H:12])[H:13])[C:5]([H:14])([H:15])[H:16])([H:8])[H:10].[C:6](#[N:7])[H:9],"InChI=1S/C5H9NO/c1-5(2,4-6)7-3/h1-3H3","InChI=1S/C4H8O.CHN/c1-4(2)5-3;1-2/h3H2,1-2H3;1H",55.97003,64.37774,
8512,[C:1]([O:2][C:3]([C:4]([H:11])([H:12])[H:13])([C:5]([H:14])([H:15])[H:16])[C:6]#[N:7])([H:8])([H:9])[H:10],[C:1]([O:2][C@:3]([C:5]([H:14])([H:15])[H:16])([C:6]#[N:7])[H:9])([H:8])[H:10].[C:4]([H:11])([H:12])[H:13],"InChI=1S/C5H9NO/c1-5(2,4-6)7-3/h1-3H3","InChI=1S/C4H6NO.CH3/c1-4(3-5)6-2;/h4H,2H2,1H3;1H3/t4-;/m1./s1",123.32193999999998,91.98656,
8513,[C:1]([O:2][C:3]([C:4]([H:11])([H:12])[H:13])([C:5]([H:14])([H:15])[H:16])[C:6]#[N:7])([H:8])([H:9])[H:10],[C:1]([O:2][H:10])([N:7]=[C:6]=[C:3]([C:4]([H:11])([H:12])[H:13])[C:5]([H:14])([H:15])[H:16])([H:8])[H:9],"InChI=1S/C5H9NO/c1-5(2,4-6)7-3/h1-3H3","InChI=1S/C5H9NO/c1-5(2)3-6-4-7/h7H,4H2,1-2H3",81.08023,13.79875,
8514,[C:1]([C@@:2]([C:3]([O:4][H:14])([H:12])[H:13])([N:5]([C:6](=[O:7])[H:16])[H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3](=[O:4])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10].[N:5]([C:6](=[O:7])[H:16])([H:14])[H:15],"InChI=1S/C4H9NO2/c1-4(2-6)5-3-7/h3-4,6H,2H2,1H3,(H,5,7)/t4-/m0/s1","InChI=1S/C3H6O.CH3NO/c1-2-3-4;2-1-3/h3H,2H2,1H3;1H,(H2,2,3)",58.887730000000005,9.3527,
8515,[C:1]([C@@:2]([C:3]([O:4][H:14])([H:12])[H:13])([N:5]([C:6](=[O:7])[H:16])[H:15])[H:11])([H:8])([H:9])[H:10],[C:1](=[C:2]([C:3]([O:4][H:14])([H:12])[H:13])[N:5]([C+:6]([O-:7])[H:16])[H:15])([H:8])[H:9].[H:10][H:11],"InChI=1S/C4H9NO2/c1-4(2-6)5-3-7/h3-4,6H,2H2,1H3,(H,5,7)/t4-/m0/s1","InChI=1S/C4H7NO2.H2/c1-4(2-6)5-3-7;/h3,5-6H,1-2H2;1H",106.14918999999999,29.87783,
8516,[C:1]([C@@:2]([C:3]([O:4][H:14])([H:12])[H:13])([N:5]([C:6](=[O:7])[H:16])[H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:15].[C:2](\[C:3]([O:4][H:14])([H:12])[H:13])(=[N:5]\[C:6](=[O:7])[H:16])[H:11],"InChI=1S/C4H9NO2/c1-4(2-6)5-3-7/h3-4,6H,2H2,1H3,(H,5,7)/t4-/m0/s1","InChI=1S/C3H5NO2.CH4/c5-2-1-4-3-6;/h1,3,5H,2H2;1H4/b4-1-;",89.32717,24.9642,
8517,[C:1]([C@@:2]([C:3]([O:4][H:14])([H:12])[H:13])([N:5]([C:6](=[O:7])[H:16])[H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[O:4][C@@:6]([O:7][H:14])([H:16])[N:5]1[H:15])([H:8])([H:9])[H:10],"InChI=1S/C4H9NO2/c1-4(2-6)5-3-7/h3-4,6H,2H2,1H3,(H,5,7)/t4-/m0/s1","InChI=1S/C4H9NO2/c1-3-2-7-4(6)5-3/h3-6H,2H2,1H3/t3-,4-/m0/s1",37.31757,16.16998,
8518,[C:1]([C@@:2]([C:3]([O:4][H:14])([H:12])[H:13])([N:5]([C:6](=[O:7])[H:16])[H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]([O:4][H:14])[H:12])[N:5]([C+:6]([O-:7])[H:16])[H:15])([H:8])([H:9])[H:10].[H:11][H:13],"InChI=1S/C4H9NO2/c1-4(2-6)5-3-7/h3-4,6H,2H2,1H3,(H,5,7)/t4-/m0/s1","InChI=1S/C4H7NO2.H2/c1-4(2-6)5-3-7;/h2-3,5-6H,1H3;1H",103.6051,29.34042,
8519,[C:1]([C@@:2]([C:3]([O:4][H:14])([H:12])[H:13])([N:5]([C:6](=[O:7])[H:16])[H:15])[H:11])([H:8])([H:9])[H:10],[C-:6]#[O+:7].[C:1]([C@@:2]([C:3]([O:4][H:14])([H:12])[H:13])([N:5]([H:15])[H:16])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H9NO2/c1-4(2-6)5-3-7/h3-4,6H,2H2,1H3,(H,5,7)/t4-/m0/s1","InChI=1S/C3H9NO.CO/c1-3(4)2-5;1-2/h3,5H,2,4H2,1H3;/t3-;/m0./s1",76.79146999999999,14.81349,"1,2_Insertion_CO"
8520,[C:1]([C@@:2]([C:3]([O:4][H:14])([H:12])[H:13])([N:5]([C:6](=[O:7])[H:16])[H:15])[H:11])([H:8])([H:9])[H:10],[C:1](/[C:2](=[N:5]\[H:15])[H:11])([H:8])([H:9])[H:10].[C:3](=[O:4])([H:12])[H:13].[C:6](=[O:7])([H:14])[H:16],"InChI=1S/C4H9NO2/c1-4(2-6)5-3-7/h3-4,6H,2H2,1H3,(H,5,7)/t4-/m0/s1","InChI=1S/C2H5N.2CH2O/c1-2-3;2*1-2/h2-3H,1H3;2*1H2/b3-2-;;",65.4234,57.512919999999994,
8521,[C:1]([C@@:2]([C:3]([O:4][H:14])([H:12])[H:13])([N:5]([C:6](=[O:7])[H:16])[H:15])[H:11])([H:8])([H:9])[H:10],[C:1]1([H:8])([H:9])[C@:2]([C:3]([O:4][H:14])([H:12])[H:13])([H:11])[N:5]([H:15])[C@:6]1([O:7][H:10])[H:16],"InChI=1S/C4H9NO2/c1-4(2-6)5-3-7/h3-4,6H,2H2,1H3,(H,5,7)/t4-/m0/s1","InChI=1S/C4H9NO2/c6-2-3-1-4(7)5-3/h3-7H,1-2H2/t3-,4-/m0/s1",93.58592,30.39975,
8522,[C:1]([C@@:2]([C:3]([O:4][H:14])([H:12])[H:13])([N:5]([C:6](=[O:7])[H:16])[H:15])[H:11])([H:8])([H:9])[H:10],[C:1](=[C:2]([C:3]([O:4][H:14])([H:12])[H:13])[H:11])([H:8])[H:9].[N:5](=[C:6](/[O:7][H:10])[H:16])\[H:15],"InChI=1S/C4H9NO2/c1-4(2-6)5-3-7/h3-4,6H,2H2,1H3,(H,5,7)/t4-/m0/s1","InChI=1S/C3H6O.CH3NO/c1-2-3-4;2-1-3/h2,4H,1,3H2;1H,(H2,2,3)",50.18443,31.469170000000002,Retroene
8523,[C:1]([C@@:2]([C:3]([O:4][H:14])([H:12])[H:13])([N:5]([C:6](=[O:7])[H:16])[H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]([C:3]([O:4][H:14])([H:12])[H:13])([N:5]=[C:6]=[O:7])[H:11])([H:8])([H:9])[H:10].[H:15][H:16],"InChI=1S/C4H9NO2/c1-4(2-6)5-3-7/h3-4,6H,2H2,1H3,(H,5,7)/t4-/m0/s1","InChI=1S/C4H7NO2.H2/c1-4(2-6)5-3-7;/h4,6H,2H2,1H3;1H/t4-;/m0./s1",73.14563000000001,18.771829999999998,
8524,[C:1]([C@@:2]([C:3]([O:4][H:14])([H:12])[H:13])([N:5]([C:6](=[O:7])[H:16])[H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]([C:3]([O:4][H:14])([H:12])[H:13])([N:5]([C:6][O:7][H:16])[H:15])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H9NO2/c1-4(2-6)5-3-7/h3-4,6H,2H2,1H3,(H,5,7)/t4-/m0/s1","InChI=1S/C4H9NO2/c1-4(2-6)5-3-7/h4-7H,2H2,1H3/t4-/m0/s1",73.92083000000001,45.522729999999996,
8525,[C:1]([C@@:2]([C:3]([O:4][H:14])([H:12])[H:13])([N:5]([C:6](=[O:7])[H:16])[H:15])[H:11])([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:3](/[O:4][H:14])[H:12])[H:11])([H:8])([H:9])[H:10].[N:5](=[C:6](/[O:7][H:13])[H:16])\[H:15],"InChI=1S/C4H9NO2/c1-4(2-6)5-3-7/h3-4,6H,2H2,1H3,(H,5,7)/t4-/m0/s1","InChI=1S/C3H6O.CH3NO/c1-2-3-4;2-1-3/h2-4H,1H3;1H,(H2,2,3)/b3-2+;",54.0144,25.34036,Retroene
8526,[C:1]([C@@:2]([C:3]([O:4][H:14])([H:12])[H:13])([N:5]([C:6](=[O:7])[H:16])[H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([C+:2]([C:3]([O:4][H:14])([H:12])[H:13])[N:5]([C-:6]([O:7][H:11])[H:16])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C4H9NO2/c1-4(2-6)5-3-7/h3-4,6H,2H2,1H3,(H,5,7)/t4-/m0/s1","InChI=1S/C4H9NO2/c1-4(2-6)5-3-7/h3,5-7H,2H2,1H3",59.69546,49.47079,
8527,[C:1]([C@@:2]([C:3]([O:4][H:14])([H:12])[H:13])([N:5]([C:6](=[O:7])[H:16])[H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]([C:3](=[O:4])[H:12])([N:5]([C:6]([O:7][H:14])([H:13])[H:16])[H:15])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H9NO2/c1-4(2-6)5-3-7/h3-4,6H,2H2,1H3,(H,5,7)/t4-/m0/s1","InChI=1S/C4H9NO2/c1-4(2-6)5-3-7/h2,4-5,7H,3H2,1H3/t4-/m0/s1",50.43315,23.17717,
8528,[C:1]([C@@:2]([C:3]([O:4][H:14])([H:12])[H:13])([N:5]([C:6](=[O:7])[H:16])[H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]([C:3]([O:4][H:14])([H:12])[H:13])([O:7]/[C:6](=[N:5]/[H:15])[H:16])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H9NO2/c1-4(2-6)5-3-7/h3-4,6H,2H2,1H3,(H,5,7)/t4-/m0/s1","InChI=1S/C4H9NO2/c1-4(2-6)7-3-5/h3-6H,2H2,1H3/b5-3+/t4-/m0/s1",57.29826,18.56877,ketoenol
8529,[C:1]([C@@:2]([C:3]([O:4][H:14])([H:12])[H:13])([N:5]([C:6](=[O:7])[H:16])[H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([C:6](=[O:7])[H:16])([H:8])([H:9])[H:10].[C:2](\[C:3]([O:4][H:14])([H:12])[H:13])(=[N:5]/[H:15])[H:11],"InChI=1S/C4H9NO2/c1-4(2-6)5-3-7/h3-4,6H,2H2,1H3,(H,5,7)/t4-/m0/s1","InChI=1S/C2H5NO.C2H4O/c3-1-2-4;1-2-3/h1,3-4H,2H2;2H,1H3/b3-1+;",90.84309,35.34702,
8530,[C:1]([C@@:2]([C:3]([O:4][H:14])([H:12])[H:13])([N:5]([C:6](=[O:7])[H:16])[H:15])[H:11])([H:8])([H:9])[H:10],[C:1](/[C:2]([C:3]([O:4][H:14])([H:12])[H:13])=[N:5]/[C:6](=[O:7])[H:16])([H:8])([H:9])[H:10].[H:11][H:15],"InChI=1S/C4H9NO2/c1-4(2-6)5-3-7/h3-4,6H,2H2,1H3,(H,5,7)/t4-/m0/s1","InChI=1S/C4H7NO2.H2/c1-4(2-6)5-3-7;/h3,6H,2H2,1H3;1H/b5-4-;",88.97426,30.92783,
8531,[C:1]([C@@:2]([C:3]([O:4][H:14])([H:12])[H:13])([N:5]([C:6](=[O:7])[H:16])[H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([C-:2]([N:5]([C:6](=[O+:7][C:3]([O:4][H:14])([H:12])[H:13])[H:16])[H:15])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H9NO2/c1-4(2-6)5-3-7/h3-4,6H,2H2,1H3,(H,5,7)/t4-/m0/s1","InChI=1S/C4H9NO2/c1-2-5-3-7-4-6/h2-3,5-6H,4H2,1H3",75.74801,65.95424,
8532,[C:1]([C@@:2]([C:3]([O:4][H:14])([H:12])[H:13])([N:5]([C:6](=[O:7])[H:16])[H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]([C:3]([O:4][H:14])([H:12])[H:13])([N:5]1[C:6]([H:15])([H:16])[O:7]1)[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H9NO2/c1-4(2-6)5-3-7/h3-4,6H,2H2,1H3,(H,5,7)/t4-/m0/s1","InChI=1S/C4H9NO2/c1-4(2-6)5-3-7-5/h4,6H,2-3H2,1H3/t4-,5?/m0/s1",98.64753,73.24511,
8533,[C:1]([C@@:2]([C:3]([O:4][H:14])([H:12])[H:13])([N:5]([C:6](=[O:7])[H:16])[H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]([C:3]([O:4][H:14])([H:12])[H:13])(/[N:5]=[C:6](/[O:7][H:15])[H:16])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H9NO2/c1-4(2-6)5-3-7/h3-4,6H,2H2,1H3,(H,5,7)/t4-/m0/s1","InChI=1S/C4H9NO2/c1-4(2-6)5-3-7/h3-4,6H,2H2,1H3,(H,5,7)/t4-/m0/s1",42.88211,10.59705,ketoenol
8534,[C:1]([C@@:2]([C:3]([O:4][H:14])([H:12])[H:13])([N:5]([C:6](=[O:7])[H:16])[H:15])[H:11])([H:8])([H:9])[H:10],[C:1]1([H:8])([H:9])[C@@:2]([N:5]([C:6](=[O:7])[H:16])[H:15])([H:11])[C@:3]1([O:4][H:14])[H:12].[H:10][H:13],"InChI=1S/C4H9NO2/c1-4(2-6)5-3-7/h3-4,6H,2H2,1H3,(H,5,7)/t4-/m0/s1","InChI=1S/C4H7NO2.H2/c6-2-5-3-1-4(3)7;/h2-4,7H,1H2,(H,5,6);1H/t3-,4-;/m0./s1",82.48415,40.80983,
8535,[C:1]([C@@:2]([C:3]([O:4][H:14])([H:12])[H:13])([N:5]([C:6](=[O:7])[H:16])[H:15])[H:11])([H:8])([H:9])[H:10],[C:1](/[C:2](=[N:5]\[H:15])[H:11])([H:8])([H:9])[H:10].[C:3](=[O:4])([H:12])[H:13].[C:6](=[O:7])([H:14])[H:16],"InChI=1S/C4H9NO2/c1-4(2-6)5-3-7/h3-4,6H,2H2,1H3,(H,5,7)/t4-/m0/s1","InChI=1S/C2H5N.2CH2O/c1-2-3;2*1-2/h2-3H,1H3;2*1H2/b3-2-;;",65.4202,57.51205,
8536,[C:1]([C@@:2]([C:3]([O:4][H:14])([H:12])[H:13])([N:5]([C:6](=[O:7])[H:16])[H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[O:4][C:6](=[O:7])[N:5]1[H:15])([H:8])([H:9])[H:10].[H:14][H:16],"InChI=1S/C4H9NO2/c1-4(2-6)5-3-7/h3-4,6H,2H2,1H3,(H,5,7)/t4-/m0/s1","InChI=1S/C4H7NO2.H2/c1-3-2-7-4(6)5-3;/h3H,2H2,1H3,(H,5,6);1H/t3-;/m0./s1",69.3293,9.26631,
8537,[C:1]([C@@:2]([C:3]([O:4][H:14])([H:12])[H:13])([N:5]([C:6](=[O:7])[H:16])[H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[O:4]1)([H:8])([H:9])[H:10].[N:5](=[C:6](/[O:7][H:14])[H:16])\[H:15],"InChI=1S/C4H9NO2/c1-4(2-6)5-3-7/h3-4,6H,2H2,1H3,(H,5,7)/t4-/m0/s1","InChI=1S/C3H6O.CH3NO/c1-3-2-4-3;2-1-3/h3H,2H2,1H3;1H,(H2,2,3)/t3-;/m0./s1",65.41557,40.312259999999995,
8538,[C:1]([C@@:2]([C:3]([O:4][H:14])([H:12])[H:13])([N:5]([C:6](=[O:7])[H:16])[H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([N:5]([C:6](=[O:7])[H:16])[H:15])([H:11])[H:13])([H:8])([H:9])[H:10].[C:3]([O:4][H:14])[H:12],"InChI=1S/C4H9NO2/c1-4(2-6)5-3-7/h3-4,6H,2H2,1H3,(H,5,7)/t4-/m0/s1","InChI=1S/C3H7NO.CH2O/c1-2-4-3-5;1-2/h3H,2H2,1H3,(H,4,5);1-2H",64.51290999999999,77.11045,
8539,[C:1]([C@@:2]([C:3]([O:4][H:14])([H:12])[H:13])([N:5]([C:6](=[O:7])[H:16])[H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]([C:3][H:12])([N:5]([C:6](=[O:7])[H:16])[H:15])[H:11])([H:8])([H:9])[H:10].[O:4]([H:13])[H:14],"InChI=1S/C4H9NO2/c1-4(2-6)5-3-7/h3-4,6H,2H2,1H3,(H,5,7)/t4-/m0/s1","InChI=1S/C4H7NO.H2O/c1-4(2)5-3-6;/h1,3-4H,2H3,(H,5,6);1H2/t4-;/m1./s1",72.96133,81.12144,
8540,[C:1]([C@@:2]([C:3]([O:4][H:14])([H:12])[H:13])([N:5]([C:6](=[O:7])[H:16])[H:15])[H:11])([H:8])([H:9])[H:10],[C-:2]([C:3]([O:4][H:14])([H:12])[H:13])=[N+:5]([C:6](=[O:7])[H:16])[H:15].[C:1]([H:8])([H:9])([H:10])[H:11],"InChI=1S/C4H9NO2/c1-4(2-6)5-3-7/h3-4,6H,2H2,1H3,(H,5,7)/t4-/m0/s1","InChI=1S/C3H5NO2.CH4/c5-2-1-4-3-6;/h3-5H,2H2;1H4",76.1088,67.57948,
8541,[C:1]([C@@:2]([C:3]([O:4][H:14])([H:12])[H:13])([N:5]([C:6](=[O:7])[H:16])[H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]([C:3](=[O:4])[H:12])(/[N:5]=[C:6](\[O:7][H:14])[H:16])[H:11])([H:8])([H:9])[H:10].[H:13][H:15],"InChI=1S/C4H9NO2/c1-4(2-6)5-3-7/h3-4,6H,2H2,1H3,(H,5,7)/t4-/m0/s1","InChI=1S/C4H7NO2.H2/c1-4(2-6)5-3-7;/h2-4H,1H3,(H,5,7);1H/t4-;/m0./s1",56.12245,30.33366,
8542,[C:1]([C@@:2]([C:3]([O:4][H:14])([H:12])[H:13])([N:5]([C:6](=[O:7])[H:16])[H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([O:4][H:14])([H:8])([H:9])[H:10].[C:2](=[C:3]([H:12])[H:13])([N:5]([C+:6]([O-:7])[H:16])[H:15])[H:11],"InChI=1S/C4H9NO2/c1-4(2-6)5-3-7/h3-4,6H,2H2,1H3,(H,5,7)/t4-/m0/s1","InChI=1S/C3H5NO.CH4O/c1-2-4-3-5;1-2/h2-4H,1H2;2H,1H3",92.49566,28.0587,"1,3_Insertion_ROR"
8543,[C:1]([c:2]1[c:3]([N:4]([H:11])[H:12])[n:5][n:6][o:7]1)([H:8])([H:9])[H:10],[C:1]([C:2](=[C+:3][N:4]([H:11])[H:12])[O-:7])([H:8])([H:9])[H:10].[N:5]#[N:6],"InChI=1S/C3H5N3O/c1-2-3(4)5-6-7-2/h4H2,1H3","InChI=1S/C3H5NO.N2/c1-3(5)2-4;1-2/h4H2,1H3;",9.029119999999999,-9.67348,
8544,[C:1]([c:2]1[c:3]([N:4]([H:11])[H:12])[n:5][n:6][o:7]1)([H:8])([H:9])[H:10],[C:1]([c:2]1[c:3]([N-:4][H:11])[n:5]([H:12])[n:6][o+:7]1)([H:8])([H:9])[H:10],"InChI=1S/C3H5N3O/c1-2-3(4)5-6-7-2/h4H2,1H3","InChI=1S/C3H5N3O/c1-2-3(4)5-6-7-2/h4-5H,1H3",66.40666,32.56545,
8545,[C:1]([c:2]1[c:3]([N:4]([H:11])[H:12])[n:5][n:6][o:7]1)([H:8])([H:9])[H:10],[C:1]([C@:2]1([H:12])/[C:3](=[N:4]/[H:11])[N:5]=[N:6][O:7]1)([H:8])([H:9])[H:10],"InChI=1S/C3H5N3O/c1-2-3(4)5-6-7-2/h4H2,1H3","InChI=1S/C3H5N3O/c1-2-3(4)5-6-7-2/h2,4H,1H3/b4-3-/t2-/m1/s1",80.82998,14.82599,
8546,[C:1]([c:2]1[c:3]([N:4]([H:11])[H:12])[n:5][n:6][o:7]1)([H:8])([H:9])[H:10],[C:1]([C:2]#[C:3][N:4]([H:11])[H:12])([H:8])([H:9])[H:10].[N-:5]=[N+:6]=[O:7],"InChI=1S/C3H5N3O/c1-2-3(4)5-6-7-2/h4H2,1H3","InChI=1S/C3H5N.N2O/c1-2-3-4;1-2-3/h4H2,1H3;",61.842040000000004,41.928979999999996,
8547,[C:1]([c:2]1[c:3]([N:4]([H:11])[H:12])[n:5][n:6][o:7]1)([H:8])([H:9])[H:10],[C:1](=[C:2]1[C:3]([N:4]([H:11])[H:12])=[N:5][N:6]([H:10])[O:7]1)([H:8])[H:9],"InChI=1S/C3H5N3O/c1-2-3(4)5-6-7-2/h4H2,1H3","InChI=1S/C3H5N3O/c1-2-3(4)5-6-7-2/h6H,1H2,(H2,4,5)",50.972590000000004,20.80453,
8548,[O:1]=[C:2]1[N:3]([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C:6]([H:13])([H:14])[N:7]1[H:15],[O:1]=[C:2]([N:7]([C:6]([C:5](/[C:4](=[N:3]/[H:8])[H:9])([H:11])[H:12])([H:13])[H:14])[H:15])[H:10],"InChI=1S/C4H8N2O/c7-4-5-2-1-3-6-4/h1-3H2,(H2,5,6,7)","InChI=1S/C4H8N2O/c5-2-1-3-6-4-7/h2,4-5H,1,3H2,(H,6,7)/b5-2+",88.53367,20.423070000000003,
8549,[O:1]=[C:2]1[N:3]([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C:6]([H:13])([H:14])[N:7]1[H:15],[O:1]=[C:2]([N:3]([H:8])[H:11])[N:7]([C:6]([C:5](=[C:4]([H:9])[H:10])[H:12])([H:13])[H:14])[H:15],"InChI=1S/C4H8N2O/c7-4-5-2-1-3-6-4/h1-3H2,(H2,5,6,7)","InChI=1S/C4H8N2O/c1-2-3-6-4(5)7/h2H,1,3H2,(H3,5,6,7)",74.58282,13.01378,
8550,[O:1]=[C:2]1[N:3]([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C:6]([H:13])([H:14])[N:7]1[H:15],[O:1]=[C:2]1[N:3]([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C-:6]([H:13])[N+:7]1([H:14])[H:15],"InChI=1S/C4H8N2O/c7-4-5-2-1-3-6-4/h1-3H2,(H2,5,6,7)","InChI=1S/C4H8N2O/c7-4-5-2-1-3-6-4/h2H,1,3,5H2,(H,6,7)",81.15736,74.5593,
8551,[O:1]=[C:2]1[N:3]([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C:6]([H:13])([H:14])[N:7]1[H:15],[O:1]=[C:2]1[N:3]([H:8])[C:4]([H:9])([H:10])[C@@:5]([C:6]([H:12])([H:13])[H:14])([H:11])[N:7]1[H:15],"InChI=1S/C4H8N2O/c7-4-5-2-1-3-6-4/h1-3H2,(H2,5,6,7)","InChI=1S/C4H8N2O/c1-3-2-5-4(7)6-3/h3H,2H2,1H3,(H2,5,6,7)/t3-/m0/s1",91.79854,-1.01368,
8552,[O:1]=[C:2]1[N:3]([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C:6]([H:13])([H:14])[N:7]1[H:15],[O:1]=[C:2]=[N:7][C:6]([C:5]([C:4]([N:3]([H:8])[H:15])([H:9])[H:10])([H:11])[H:12])([H:13])[H:14],"InChI=1S/C4H8N2O/c7-4-5-2-1-3-6-4/h1-3H2,(H2,5,6,7)","InChI=1S/C4H8N2O/c5-2-1-3-6-4-7/h1-3,5H2",71.45734,15.643839999999999,
8553,[O:1]=[C:2]1[N:3]([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C:6]([H:13])([H:14])[N:7]1[H:15],[C:4](=[C:5]([H:11])[H:12])([H:9])[H:10].[C:6](=[N:7][H:15])([H:13])[H:14].[O:1]=[C:2]=[N:3][H:8],"InChI=1S/C4H8N2O/c7-4-5-2-1-3-6-4/h1-3H2,(H2,5,6,7)","InChI=1S/C2H4.CHNO.CH3N/c1-2;2-1-3;1-2/h1-2H2;2H;2H,1H2",63.310280000000006,49.529540000000004,
8554,[O:1]=[C:2]1[N:3]([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C:6]([H:13])([H:14])[N:7]1[H:15],[H:12][H:15].[O:1]=[C:2]1[N:3]([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:13])[C:6]([H:14])=[N:7]1,"InChI=1S/C4H8N2O/c7-4-5-2-1-3-6-4/h1-3H2,(H2,5,6,7)","InChI=1S/C4H6N2O.H2/c7-4-5-2-1-3-6-4;/h2H,1,3H2,(H,6,7);1H",94.3017,31.82647,
8555,[O:1]=[C:2]1[N:3]([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C:6]([H:13])([H:14])[N:7]1[H:15],[O:1]([C:2]1=[N:3][C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C:6]([H:13])([H:14])[N:7]1[H:15])[H:8],"InChI=1S/C4H8N2O/c7-4-5-2-1-3-6-4/h1-3H2,(H2,5,6,7)","InChI=1S/C4H8N2O/c7-4-5-2-1-3-6-4/h1-3H2,(H2,5,6,7)",40.081990000000005,11.363380000000001,ketoenol
8556,[O:1]=[C:2]1[N:3]([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C:6]([H:13])([H:14])[N:7]1[H:15],[O:1]=[C:2]([N+:3](=[C-:4][H:9])[H:8])[N:7]([C:6]([C:5]([H:10])([H:11])[H:12])([H:13])[H:14])[H:15],"InChI=1S/C4H8N2O/c7-4-5-2-1-3-6-4/h1-3H2,(H2,5,6,7)","InChI=1S/C4H8N2O/c1-3-6-4(7)5-2/h2,5H,3H2,1H3,(H,6,7)",75.80415,62.191340000000004,
8557,[O:1]=[C:2]1[N:3]([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C:6]([H:13])([H:14])[N:7]1[H:15],[O:1]([C+:2]1[N:3]([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C-:6]([H:14])[N:7]1[H:15])[H:13],"InChI=1S/C4H8N2O/c7-4-5-2-1-3-6-4/h1-3H2,(H2,5,6,7)","InChI=1S/C4H8N2O/c7-4-5-2-1-3-6-4/h2,5-7H,1,3H2",100.15994,68.65853,
8558,[O:1]=[C:2]1[N:3]([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C:6]([H:13])([H:14])[N:7]1[H:15],[O:1]1/[C:2](=[N:7]\[H:15])[N:3]([H:8])[C:4]([H:9])([H:10])[C@@:5]1([C:6]([H:12])([H:13])[H:14])[H:11],"InChI=1S/C4H8N2O/c7-4-5-2-1-3-6-4/h1-3H2,(H2,5,6,7)","InChI=1S/C4H8N2O/c1-3-2-6-4(5)7-3/h3H,2H2,1H3,(H2,5,6)/t3-/m0/s1",104.33247,15.70016,
8559,[O:1]=[C:2]1[N:3]([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C:6]([H:13])([H:14])[N:7]1[H:15],[O:1]1[C:2]([N:7]([C:6]([C:5]([C:4]([H:8])([H:9])[H:10])([H:11])[H:12])([H:13])[H:14])[H:15])=[N:3]1,"InChI=1S/C4H8N2O/c7-4-5-2-1-3-6-4/h1-3H2,(H2,5,6,7)","InChI=1S/C4H8N2O/c1-2-3-5-4-6-7-4/h2-3H2,1H3,(H,5,6)",77.51749000000001,82.11366,
8560,[O:1]=[C:2]1[N:3]([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C:6]([H:13])([H:14])[N:7]1[H:15],[H:9][H:15].[O:1]=[C:2]=[N:7][C:6]([C:5](/[C:4](=[N:3]/[H:8])[H:10])([H:11])[H:12])([H:13])[H:14],"InChI=1S/C4H8N2O/c7-4-5-2-1-3-6-4/h1-3H2,(H2,5,6,7)","InChI=1S/C4H6N2O.H2/c5-2-1-3-6-4-7;/h2,5H,1,3H2;1H/b5-2+;",72.15196,35.40272,
8561,[O:1]=[C:2]1[N:3]([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C:6]([H:13])([H:14])[N:7]1[H:15],[H:9][H:12].[O:1]=[C:2]1[N:3]([H:8])[C:4]([H:10])=[C:5]([H:11])[C:6]([H:13])([H:14])[N:7]1[H:15],"InChI=1S/C4H8N2O/c7-4-5-2-1-3-6-4/h1-3H2,(H2,5,6,7)","InChI=1S/C4H6N2O.H2/c7-4-5-2-1-3-6-4;/h1-2H,3H2,(H2,5,6,7);1H",99.16085,23.73741,
8562,[O:1]=[C:2]1[N:3]([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C:6]([H:13])([H:14])[N:7]1[H:15],[N:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14].[O:1]=[C:2]=[N:7][H:15],"InChI=1S/C4H8N2O/c7-4-5-2-1-3-6-4/h1-3H2,(H2,5,6,7)","InChI=1S/C3H7N.CHNO/c1-2-4-3-1;2-1-3/h4H,1-3H2;2H",86.23889,41.69161,
8563,[O:1]=[C:2]1[N:3]([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C:6]([H:13])([H:14])[N:7]1[H:15],[C:6](=[N:7][H:15])([H:13])[H:14].[O:1]=[C:2]=[N:3][C:4]([C:5]([H:8])([H:11])[H:12])([H:9])[H:10],"InChI=1S/C4H8N2O/c7-4-5-2-1-3-6-4/h1-3H2,(H2,5,6,7)","InChI=1S/C3H5NO.CH3N/c1-2-4-3-5;1-2/h2H2,1H3;2H,1H2",110.65185,31.43549,
8564,[O:1]=[C:2]1[N:3]([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C:6]([H:13])([H:14])[N:7]1[H:15],[O:1]=[C:2]([N:3]([C:4]([C:5]([H:11])([H:12])[H:15])([H:9])[H:10])[H:8])[N:7]=[C:6]([H:13])[H:14],"InChI=1S/C4H8N2O/c7-4-5-2-1-3-6-4/h1-3H2,(H2,5,6,7)","InChI=1S/C4H8N2O/c1-3-6-4(7)5-2/h2-3H2,1H3,(H,6,7)",104.92841000000001,18.17006,
8565,[O:1]=[C:2]1[N:3]([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C:6]([H:13])([H:14])[N:7]1[H:15],[N:3](=[C:4]([H:9])[H:10])[H:8].[O:1]=[C:2]1[C:5]([H:11])([H:12])[C:6]([H:13])([H:14])[N:7]1[H:15],"InChI=1S/C4H8N2O/c7-4-5-2-1-3-6-4/h1-3H2,(H2,5,6,7)","InChI=1S/C3H5NO.CH3N/c5-3-1-2-4-3;1-2/h1-2H2,(H,4,5);2H,1H2",108.08856999999999,43.75547,
8566,[O:1]=[C:2]1[N:3]([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C:6]([H:13])([H:14])[N:7]1[H:15],[O:1]([C@:2]12[N:3]([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C@@:6]1([H:13])[N:7]2[H:15])[H:14],"InChI=1S/C4H8N2O/c7-4-5-2-1-3-6-4/h1-3H2,(H2,5,6,7)","InChI=1S/C4H8N2O/c7-4-3(6-4)1-2-5-4/h3,5-7H,1-2H2/t3-,4+/m1/s1",103.11955,50.67688,
8567,[O:1]=[C:2]1[N:3]([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C:6]([H:13])([H:14])[N:7]1[H:15],[H:9][H:10].[O:1]=[C:2]1[N+:3]([H:8])=[C-:4][C:5]([H:11])([H:12])[C:6]([H:13])([H:14])[N:7]1[H:15],"InChI=1S/C4H8N2O/c7-4-5-2-1-3-6-4/h1-3H2,(H2,5,6,7)","InChI=1S/C4H6N2O.H2/c7-4-5-2-1-3-6-4;/h6H,1-2H2,(H,5,7);1H",70.94935,64.17546999999999,
8568,[C:1](#[C:2][C@:3]12[C:4]([H:9])([H:10])[C@@:5]1([H:11])[O:6][C:7]2([H:12])[H:13])[H:8],[C-:1](=[C:2]([C@:3]12[C:4]([H:9])([H:10])[C@@:5]1([H:11])[O+:6]=[C:7]2[H:12])[H:13])[H:8],"InChI=1S/C6H6O/c1-2-6-3-5(6)7-4-6/h1,5H,3-4H2/t5-,6-/m1/s1","InChI=1S/C6H6O/c1-2-6-3-5(6)7-4-6/h1-2,4-5H,3H2/t5-,6-/m1/s1",95.32007,68.9172,
8569,[C:1](#[C:2][C@:3]12[C:4]([H:9])([H:10])[C@@:5]1([H:11])[O:6][C:7]2([H:12])[H:13])[H:8],[C:1](=[C:2]1[C@:3]23[C@@:4]1([H:9])[C@@:5]2([H:11])[O:6][C:7]3([H:12])[H:13])([H:8])[H:10],"InChI=1S/C6H6O/c1-2-6-3-5(6)7-4-6/h1,5H,3-4H2/t5-,6-/m1/s1","InChI=1S/C6H6O/c1-3-4-5-6(3,4)2-7-5/h4-5H,1-2H2/t4-,5-,6-/m1/s1",83.7795,12.84495,
8570,[C:1](#[C:2][C@:3]12[C:4]([H:9])([H:10])[C@@:5]1([H:11])[O:6][C:7]2([H:12])[H:13])[H:8],[C:1](#[C:2][C@@:5]1([H:11])[C:4]([H:9])([H:10])[C:3][C:7]([H:12])([H:13])[O:6]1)[H:8],"InChI=1S/C6H6O/c1-2-6-3-5(6)7-4-6/h1,5H,3-4H2/t5-,6-/m1/s1","InChI=1S/C6H6O/c1-2-6-4-3-5-7-6/h1,6H,4-5H2/t6-/m0/s1",63.479009999999995,41.850229999999996,
8571,[C:1](#[C:2][C@:3]12[C:4]([H:9])([H:10])[C@@:5]1([H:11])[O:6][C:7]2([H:12])[H:13])[H:8],[C:1]1([H:8])=[C-:2][C@:3]12[C:4]([H:9])([H:10])[C:5]([H:11])=[O+:6][C:7]2([H:12])[H:13],"InChI=1S/C6H6O/c1-2-6-3-5(6)7-4-6/h1,5H,3-4H2/t5-,6-/m1/s1","InChI=1S/C6H6O/c1-2-6(1)3-4-7-5-6/h1,4H,3,5H2/t6-/m0/s1",53.1447,48.1557,
8572,[C:1](#[C:2][C@:3]12[C:4]([H:9])([H:10])[C@@:5]1([H:11])[O:6][C:7]2([H:12])[H:13])[H:8],[C:1](#[C:2][C:3]1=[C:4]([H:10])[C:5]([H:9])([H:11])[O:6][C:7]1([H:12])[H:13])[H:8],"InChI=1S/C6H6O/c1-2-6-3-5(6)7-4-6/h1,5H,3-4H2/t5-,6-/m1/s1","InChI=1S/C6H6O/c1-2-6-3-4-7-5-6/h1,3H,4-5H2",67.81671,-31.49997,
8573,[C:1](#[C:2][C@:3]12[C:4]([H:9])([H:10])[C@@:5]1([H:11])[O:6][C:7]2([H:12])[H:13])[H:8],[C:1](#[C:2][C@:3]1([H:9])[C@:5]([C:4][H:10])([H:11])[O:6][C:7]1([H:12])[H:13])[H:8],"InChI=1S/C6H6O/c1-2-6-3-5(6)7-4-6/h1,5H,3-4H2/t5-,6-/m1/s1","InChI=1S/C6H6O/c1-3-6-4-7-5(6)2/h1-2,5-6H,4H2/t5-,6+/m1/s1",62.85258,68.0826,
8574,[C:1](#[C:2][C@:3]12[C:4]([H:9])([H:10])[C@@:5]1([H:11])[O:6][C:7]2([H:12])[H:13])[H:8],[C:1](#[C:2][C:3]([C:4]([C:5](=[O:6])[H:11])([H:9])[H:10])=[C:7]([H:12])[H:13])[H:8],"InChI=1S/C6H6O/c1-2-6-3-5(6)7-4-6/h1,5H,3-4H2/t5-,6-/m1/s1","InChI=1S/C6H6O/c1-3-6(2)4-5-7/h1,5H,2,4H2",17.56696,-34.60112,
8575,[C:1](#[C:2][C@:3]12[C:4]([H:9])([H:10])[C@@:5]1([H:11])[O:6][C:7]2([H:12])[H:13])[H:8],[C-:1](/[C:2](=[C:3]1/[C:4]([H:9])([H:10])[C:5]=[O+:6][C:7]1([H:12])[H:13])[H:11])[H:8],"InChI=1S/C6H6O/c1-2-6-3-5(6)7-4-6/h1,5H,3-4H2/t5-,6-/m1/s1","InChI=1S/C6H6O/c1-2-6-3-4-7-5-6/h1-2H,3,5H2",87.37564,62.83985,
8576,[C:1](#[C:2][C@:3]12[C:4]([H:9])([H:10])[C@@:5]1([H:11])[O:6][C:7]2([H:12])[H:13])[H:8],[C:1](=[C:2])([C@:3]12[C:4]([H:9])([H:10])[C@@:5]1([H:11])[O:6][C:7]2([H:12])[H:13])[H:8],"InChI=1S/C6H6O/c1-2-6-3-5(6)7-4-6/h1,5H,3-4H2/t5-,6-/m1/s1","InChI=1S/C6H6O/c1-2-6-3-5(6)7-4-6/h2,5H,3-4H2/t5-,6-/m1/s1",56.414159999999995,53.85179,Singlet_Carbene_Intra_Disproportionation
8577,[C:1](#[C:2][C@:3]12[C:4]([H:9])([H:10])[C@@:5]1([H:11])[O:6][C:7]2([H:12])[H:13])[H:8],[C:1](=[C:2]=[C:3]1[C:4]([H:9])([H:10])[C-:5]=[O+:6][C:7]1([H:12])[H:13])([H:8])[H:11],"InChI=1S/C6H6O/c1-2-6-3-5(6)7-4-6/h1,5H,3-4H2/t5-,6-/m1/s1","InChI=1S/C6H6O/c1-2-6-3-4-7-5-6/h1,3,5H2",76.79319,1.47865,
8578,[C:1](#[C:2][C@:3]12[C:4]([H:9])([H:10])[C@@:5]1([H:11])[O:6][C:7]2([H:12])[H:13])[H:8],[C:1](#[C:2][C@:3]1([C:4]([H:9])([H:10])[H:11])[C-:5]=[O+:6][C:7]1([H:12])[H:13])[H:8],"InChI=1S/C6H6O/c1-2-6-3-5(6)7-4-6/h1,5H,3-4H2/t5-,6-/m1/s1","InChI=1S/C6H6O/c1-3-6(2)4-7-5-6/h1H,4H2,2H3/t6-/m0/s1",50.03889,30.75382,
8579,[C:1](#[C:2][C@:3]12[C:4]([H:9])([H:10])[C@@:5]1([H:11])[O:6][C:7]2([H:12])[H:13])[H:8],[C:1]1([H:8])=[C:2]=[C:3]2[C@@:5]([H:11])([C:4]1([H:9])[H:10])[O:6][C:7]2([H:12])[H:13],"InChI=1S/C6H6O/c1-2-6-3-5(6)7-4-6/h1,5H,3-4H2/t5-,6-/m1/s1","InChI=1S/C6H6O/c1-2-5-4-7-6(5)3-1/h1,6H,3-4H2/t6-/m1/s1",66.07891,22.46274,
8580,[C:1](#[C:2][C@:3]12[C:4]([H:9])([H:10])[C@@:5]1([H:11])[O:6][C:7]2([H:12])[H:13])[H:8],[C:1]1([H:8])=[C:2]=[C:3]([C:4]([C:5][H:11])([H:9])[H:10])[C:7]([H:12])([H:13])[O:6]1,"InChI=1S/C6H6O/c1-2-6-3-5(6)7-4-6/h1,5H,3-4H2/t5-,6-/m1/s1","InChI=1S/C6H6O/c1-2-6-3-4-7-5-6/h1,4H,2,5H2",104.03409,78.65841,
8581,[C:1](#[C:2][C@:3]12[C:4]([H:9])([H:10])[C@@:5]1([H:11])[O:6][C:7]2([H:12])[H:13])[H:8],[C:1](#[C:2][C:3]1([C:4][H:9])[C:5]([H:10])([H:11])[O:6][C:7]1([H:12])[H:13])[H:8],"InChI=1S/C6H6O/c1-2-6-3-5(6)7-4-6/h1,5H,3-4H2/t5-,6-/m1/s1","InChI=1S/C6H6O/c1-3-6(2)4-7-5-6/h1-2H,4-5H2",67.93772,72.57436,
8582,[C:1](#[C:2][C@:3]12[C:4]([H:9])([H:10])[C@@:5]1([H:11])[O:6][C:7]2([H:12])[H:13])[H:8],[C+:1](=[C:2]=[C-:3][C:7]([O:6][C:5](=[C:4]([H:9])[H:10])[H:11])([H:12])[H:13])[H:8],"InChI=1S/C6H6O/c1-2-6-3-5(6)7-4-6/h1,5H,3-4H2/t5-,6-/m1/s1","InChI=1S/C6H6O/c1-3-5-6-7-4-2/h1,4H,2,6H2",40.99217,41.861470000000004,
8583,[C:1](#[C:2][C@:3]12[C:4]([H:9])([H:10])[C@@:5]1([H:11])[O:6][C:7]2([H:12])[H:13])[H:8],[C:1](#[C:2][C@@:3]1([H:11])[C:4]([H:9])([H:10])[C-:5]=[O+:6][C:7]1([H:12])[H:13])[H:8],"InChI=1S/C6H6O/c1-2-6-3-5(6)7-4-6/h1,5H,3-4H2/t5-,6-/m1/s1","InChI=1S/C6H6O/c1-2-6-3-4-7-5-6/h1,6H,3,5H2/t6-/m0/s1",53.323280000000004,10.178989999999999,
8584,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[O:4][C:5]1([C:6]([H:14])([H:15])[H:16])[C:7]([H:17])([H:18])[H:19])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]([H:12])[H:13])[H:11])([H:8])([H:9])[H:10].[O:4]=[C:5]([C:6]([H:14])([H:15])[H:16])[C:7]([H:17])([H:18])[H:19],"InChI=1S/C6H12O/c1-5(2)6(3,4)7-5/h1-4H3","InChI=1S/C3H6O.C3H6/c1-3(2)4;1-3-2/h1-2H3;3H,1H2,2H3",71.62903,0.24393,
8585,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[O:4][C:5]1([C:6]([H:14])([H:15])[H:16])[C:7]([H:17])([H:18])[H:19])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([O:4][C:6]([H:14])([H:15])[H:16])[C:5][C:7]([H:17])([H:18])[H:19])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-5(2)6(3,4)7-5/h1-4H3","InChI=1S/C6H12O/c1-5-6(2,3)7-4/h1-4H3",100.30248,81.50198,
8586,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[O:4][C:5]1([C:6]([H:14])([H:15])[H:16])[C:7]([H:17])([H:18])[H:19])([H:8])([H:9])[H:10],[C:1]([C:5]([C:2]([C:3]([H:11])([H:12])[H:13])=[O:4])([C:6]([H:14])([H:15])[H:16])[C:7]([H:17])([H:18])[H:19])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-5(2)6(3,4)7-5/h1-4H3","InChI=1S/C6H12O/c1-5(7)6(2,3)4/h1-4H3",47.55531,-20.822110000000002,
8587,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[O:4][C:5]1([C:6]([H:14])([H:15])[H:16])[C:7]([H:17])([H:18])[H:19])([H:8])([H:9])[H:10],[C:1]([C-:2]([C:3]([H:11])([H:12])[H:13])[O+:4]=[C:5]([C:6]([H:14])([H:15])[H:16])[C:7]([H:17])([H:18])[H:19])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-5(2)6(3,4)7-5/h1-4H3",InChI=1S/C6H12O/c1-5(2)7-6(3)4/h1-4H3,50.52624,41.97312,
8588,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[O:4][C:5]1([C:6]([H:14])([H:15])[H:16])[C:7]([H:17])([H:18])[H:19])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:11].[C:2]1(=[C:3]([H:12])[H:13])[O:4][C:5]1([C:6]([H:14])([H:15])[H:16])[C:7]([H:17])([H:18])[H:19],"InChI=1S/C6H12O/c1-5(2)6(3,4)7-5/h1-4H3","InChI=1S/C5H8O.CH4/c1-4-5(2,3)6-4;/h1H2,2-3H3;1H4",109.92262,20.45738,
8589,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[O:4][C:5]1([C:6]([H:14])([H:15])[H:16])[C:7]([H:17])([H:18])[H:19])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]([H:12])[H:13])[O:4][C:5]([C:6]([H:14])([H:15])[H:16])=[C:7]([H:17])[H:19])([H:8])([H:9])[H:10].[H:11][H:18],"InChI=1S/C6H12O/c1-5(2)6(3,4)7-5/h1-4H3","InChI=1S/C6H10O.H2/c1-5(2)7-6(3)4;/h1,3H2,2,4H3;1H",65.01275,23.6821,
8590,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[O:4][C:5]1([C:6]([H:14])([H:15])[H:16])[C:7]([H:17])([H:18])[H:19])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([O+:4]=[C-:5][C:7]([H:17])([H:18])[H:19])[C:6]([H:14])([H:15])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-5(2)6(3,4)7-5/h1-4H3","InChI=1S/C6H12O/c1-5-7-6(2,3)4/h1-4H3",95.07446,40.11946,
8591,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[O:4][C@:5]1([C:6]#[C:7][H:15])[H:14])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[O:4][C@:5]1([C:7](=[C:6])[H:15])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-3-6-5(2)4-7-6/h1,5-6H,4H2,2H3/t5-,6-/m0/s1","InChI=1S/C6H8O/c1-3-6-5(2)4-7-6/h3,5-6H,4H2,2H3/t5-,6-/m0/s1",56.36371,51.14094,Singlet_Carbene_Intra_Disproportionation
8592,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[O:4][C@:5]1([C:6]#[C:7][H:15])[H:14])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[O:4][C:5]1=[C:6]=[C:7]([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-3-6-5(2)4-7-6/h1,5-6H,4H2,2H3/t5-,6-/m0/s1","InChI=1S/C6H8O/c1-3-6-5(2)4-7-6/h5H,1,4H2,2H3/t5-/m0/s1",60.705259999999996,-9.61969,
8593,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[O:4][C@:5]1([C:6]#[C:7][H:15])[H:14])([H:8])([H:9])[H:10],[C:1]([C@:2]12[C:3]([H:12])([H:13])[O:4][C@@:5]1([H:14])[C:6]2=[C:7]([H:11])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-3-6-5(2)4-7-6/h1,5-6H,4H2,2H3/t5-,6-/m0/s1","InChI=1S/C6H8O/c1-4-5-6(4,2)3-7-5/h5H,1,3H2,2H3/t5-,6+/m0/s1",87.33673,4.48079,
8594,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[O:4][C@:5]1([C:6]#[C:7][H:15])[H:14])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[O+:4]=[C:5]([H:14])[C:6]1=[C-:7][H:15])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-3-6-5(2)4-7-6/h1,5-6H,4H2,2H3/t5-,6-/m0/s1","InChI=1S/C6H8O/c1-5-3-7-4-6(5)2/h1,3,6H,4H2,2H3/t6-/m0/s1",49.12812,19.25767,
8595,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[O:4][C@:5]1([C:6]#[C:7][H:15])[H:14])([H:8])([H:9])[H:10],[C:1]([C@@:2]([C:3](=[O:4])[H:13])([C:5](=[C:6]=[C:7]([H:12])[H:15])[H:14])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-3-6-5(2)4-7-6/h1,5-6H,4H2,2H3/t5-,6-/m0/s1","InChI=1S/C6H8O/c1-3-4-6(2)5-7/h4-6H,1H2,2H3/t6-/m1/s1",49.99042,-28.548,
8596,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[O:4][C@:5]1([C:6]#[C:7][H:15])[H:14])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]([H:12])[H:13])[H:11])([H:8])([H:9])[H:10].[O:4]=[C:5]([C:6]#[C:7][H:15])[H:14],"InChI=1S/C6H8O/c1-3-6-5(2)4-7-6/h1,5-6H,4H2,2H3/t5-,6-/m0/s1","InChI=1S/C3H2O.C3H6/c1-2-3-4;1-3-2/h1,3H;3H,1H2,2H3",50.762440000000005,2.11103,2+2_cycloaddition
8597,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[O:4][C@:5]1([C:6]#[C:7][H:15])[H:14])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[O:4]/[C:5]1=[C:6](\[C:7][H:15])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-3-6-5(2)4-7-6/h1,5-6H,4H2,2H3/t5-,6-/m0/s1","InChI=1S/C6H8O/c1-3-6-5(2)4-7-6/h1,3,5H,4H2,2H3/b6-3-/t5-/m0/s1",55.773030000000006,42.60172,
8598,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[O:4][C@:5]1([C:6]#[C:7][H:15])[H:14])([H:8])([H:9])[H:10],[C:1](=[C:2]([C:3]([O:4][C:5](=[C:6]=[C:7]([H:9])[H:15])[H:14])([H:12])[H:13])[H:11])([H:8])[H:10],"InChI=1S/C6H8O/c1-3-6-5(2)4-7-6/h1,5-6H,4H2,2H3/t5-,6-/m0/s1","InChI=1S/C6H8O/c1-3-5-7-6-4-2/h3,6H,1-2,5H2",31.767020000000002,-7.3841399999999995,
8599,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[O:4][C@:5]1([C:6]#[C:7][H:15])[H:14])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:14].[C:2]1([H:11])=[C:5]([C:6]#[C:7][H:15])[O:4][C:3]1([H:12])[H:13],"InChI=1S/C6H8O/c1-3-6-5(2)4-7-6/h1,5-6H,4H2,2H3/t5-,6-/m0/s1","InChI=1S/C5H4O.CH4/c1-2-5-3-4-6-5;/h1,3H,4H2;1H4",108.86963999999999,15.99385,
8600,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[O:4][C@:5]1([C:6]#[C:7][H:15])[H:14])([H:8])([H:9])[H:10],[C:1]1([H:9])([H:10])[C:2]([H:8])([H:11])[C:3]([H:12])([H:13])[O:4][C:5]([H:14])=[C:6]=[C:7]1[H:15],"InChI=1S/C6H8O/c1-3-6-5(2)4-7-6/h1,5-6H,4H2,2H3/t5-,6-/m0/s1","InChI=1S/C6H8O/c1-2-4-6-7-5-3-1/h1,5H,2,4,6H2",74.17518000000001,-11.61386,
8601,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[O:4][C@:5]1([C:6]#[C:7][H:15])[H:14])([H:8])([H:9])[H:10],[C:1]([C:2][C:3]([O:4][C:5]([C:6]#[C:7][H:15])([H:11])[H:14])([H:12])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-3-6-5(2)4-7-6/h1,5-6H,4H2,2H3/t5-,6-/m0/s1","InChI=1S/C6H8O/c1-3-5-7-6-4-2/h1H,5-6H2,2H3",74.24134000000001,71.57243000000001,
8602,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[O:4][C@:5]1([C:6]#[C:7][H:15])[H:14])([H:8])([H:9])[H:10],[C:1]([C:2][C@@:5]([O:4][C:3]([H:11])([H:12])[H:13])([C:6]#[C:7][H:15])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-3-6-5(2)4-7-6/h1,5-6H,4H2,2H3/t5-,6-/m0/s1","InChI=1S/C6H8O/c1-4-6(5-2)7-3/h1,6H,2-3H3/t6-/m0/s1",77.17477,74.12761,
8603,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[O:4][C@:5]1([C:6]#[C:7][H:15])[H:14])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[O:4][C:7]([H:15])=[C:6]=[C:5]1[H:14])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-3-6-5(2)4-7-6/h1,5-6H,4H2,2H3/t5-,6-/m0/s1","InChI=1S/C6H8O/c1-6-3-2-4-7-5-6/h3-4,6H,5H2,1H3/t6-/m1/s1",53.22772,-2.80654,
8604,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[O:4][C@:5]1([C:6]#[C:7][H:15])[H:14])([H:8])([H:9])[H:10],[C:1]([O:4][C:3](/[C:2](=[C:5](/[C:6]#[C:7][H:15])[H:14])[H:11])([H:12])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-3-6-5(2)4-7-6/h1,5-6H,4H2,2H3/t5-,6-/m0/s1","InChI=1S/C6H8O/c1-3-4-5-6-7-2/h1,4-5H,6H2,2H3/b5-4+",69.83242,-3.77536,
8605,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[O:4][C@:5]1([C:6]#[C:7][H:15])[H:14])([H:8])([H:9])[H:10],[C:1](=[C:2]([C:5]([C:6]#[C:7][H:15])([H:9])[H:14])[H:11])([H:8])[H:10].[C:3](=[O:4])([H:12])[H:13],"InChI=1S/C6H8O/c1-3-6-5(2)4-7-6/h1,5-6H,4H2,2H3/t5-,6-/m0/s1","InChI=1S/C5H6.CH2O/c1-3-5-4-2;1-2/h1,4H,2,5H2;1H2",88.40049,7.69866,
8606,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[O:4][C@:5]1([C:6]#[C:7][H:15])[H:14])([H:8])([H:9])[H:10],[C:1]1([H:8])([H:10])[C@@:2]2([H:11])[C:3]([H:12])([H:13])[O:4][C@@:5]12[C:6]#[C:7][H:15].[H:9][H:14],"InChI=1S/C6H8O/c1-3-6-5(2)4-7-6/h1,5-6H,4H2,2H3/t5-,6-/m0/s1","InChI=1S/C6H6O.H2/c1-2-6-3-5(6)4-7-6;/h1,5H,3-4H2;1H/t5-,6-;/m0./s1",90.38316,40.22749,
8607,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[O:4][C@:5]1([C:6]#[C:7][H:15])[H:14])([H:8])([H:9])[H:10],[C:1](/[C:7](=[C:6]1\[C@@:2]2([H:11])[C:3]([H:12])([H:13])[O:4][C@:5]21[H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-3-6-5(2)4-7-6/h1,5-6H,4H2,2H3/t5-,6-/m0/s1","InChI=1S/C6H8O/c1-2-4-5-3-7-6(4)5/h2,5-6H,3H2,1H3/b4-2+/t5-,6+/m1/s1",107.18426000000001,5.37221,
8608,[O:1]=[c:2]1[n:3]([H:8])[n:4][c:5]([H:9])[c:6]([H:10])[n:7]1,[O:1]=[C:2]([N-:3][H:8])/[N:7]=[C:6](\[C+:5]=[N:4][H:9])[H:10],"InChI=1S/C3H3N3O/c7-3-4-1-2-5-6-3/h1-2H,(H,4,6,7)","InChI=1S/C3H3N3O/c4-1-2-6-3(5)7/h2,4H,(H-,5,7)/b6-2-",86.32446,60.72043000000001,
8609,[O:1]=[c:2]1[n:3]([H:8])[n:4][c:5]([H:9])[c:6]([H:10])[n:7]1,[O:1]=[c:2]1[n:3][n:4][c:5]([H:9])[c:6]([H:10])[n:7]1[H:8],"InChI=1S/C3H3N3O/c7-3-4-1-2-5-6-3/h1-2H,(H,4,6,7)","InChI=1S/C3H3N3O/c7-3-4-1-2-5-6-3/h1-2H,(H,4,6,7)",71.06016,14.696079999999998,
8610,[O:1]=[c:2]1[n:3]([H:8])[n:4][c:5]([H:9])[c:6]([H:10])[n:7]1,[O-:1][C:2]1=[N:7][C:6]([H:10])=[C:5]=[N+:4]([H:9])[N:3]1[H:8],"InChI=1S/C3H3N3O/c7-3-4-1-2-5-6-3/h1-2H,(H,4,6,7)","InChI=1S/C3H3N3O/c7-3-4-1-2-5-6-3/h1H,(H2,4,6,7)",86.30435,50.10236,
8611,[O:1]=[c:2]1[n:3]([H:8])[n:4][c:5]([H:9])[c:6]([H:10])[n:7]1,[O:1]([c:2]1[n:3][n:4][c:5]([H:9])[c:6]([H:10])[n:7]1)[H:8],"InChI=1S/C3H3N3O/c7-3-4-1-2-5-6-3/h1-2H,(H,4,6,7)","InChI=1S/C3H3N3O/c7-3-4-1-2-5-6-3/h1-2H,(H,4,6,7)",35.42047,6.64467,ketoenol
8612,[O:1]=[c:2]1[n:3]([H:8])[n:4][c:5]([H:9])[c:6]([H:10])[n:7]1,[O:1]=[C:6](/[C:5](=[N:4]\[N:3]([C:2]#[N:7])[H:8])[H:9])[H:10],"InChI=1S/C3H3N3O/c7-3-4-1-2-5-6-3/h1-2H,(H,4,6,7)","InChI=1S/C3H3N3O/c4-3-6-5-1-2-7/h1-2,6H/b5-1-",104.79038,41.54599,
8613,[O:1]=[c:2]1[n:3]([H:8])[n:4][c:5]([H:9])[c:6]([H:10])[n:7]1,[O:1]=[c:2]1[n:3]([H:8])[n:4]2[c:5]([H:9])[c:6]([H:10])[n:7]12,"InChI=1S/C3H3N3O/c7-3-4-1-2-5-6-3/h1-2H,(H,4,6,7)","InChI=1S/C3H3N3O/c7-3-4-6-2-1-5(3)6/h1-2H,(H,4,7)",96.90616999999999,81.05138000000001,
8614,[O:1]=[c:2]1[n:3]([H:8])[n:4][c:5]([H:9])[c:6]([H:10])[n:7]1,[O:1]=[C:2]=[N:7][C@@:6]1([H:10])[N+:4]([N-:3][H:8])=[C:5]1[H:9],"InChI=1S/C3H3N3O/c7-3-4-1-2-5-6-3/h1-2H,(H,4,6,7)","InChI=1S/C3H3N3O/c4-6-1-3(6)5-2-7/h1,3-4H/t3-/m0/s1",76.6548,67.9404,
8615,[O:1]=[c:2]1[n:3]([H:8])[n:4][c:5]([H:9])[c:6]([H:10])[n:7]1,[O:1]1[C-:2]=[N+:7]=[C:6]([H:10])[C@:5]1(/[N:4]=[N:3]/[H:8])[H:9],"InChI=1S/C3H3N3O/c7-3-4-1-2-5-6-3/h1-2H,(H,4,6,7)","InChI=1S/C3H3N3O/c4-6-3-1-5-2-7-3/h1,3-4H/b6-4+/t3-/m0/s1",94.35136,98.54311,
8616,[O:1]=[c:2]1[n:3]([H:8])[n:4][c:5]([H:9])[c:6]([H:10])[n:7]1,[O:1]=[C:2]1[N:3]([H:8])[N-:4][C:5]([H:9])=[C:6]=[N+:7]1[H:10],"InChI=1S/C3H3N3O/c7-3-4-1-2-5-6-3/h1-2H,(H,4,6,7)","InChI=1S/C3H2N3O/c7-3-4-1-2-5-6-3/h2H,(H,6,7)/q-1/p+1",80.93968000000001,33.92811,
8617,[O:1]=[c:2]1[n:3]([H:8])[n:4][c:5]([H:9])[c:6]([H:10])[n:7]1,[O:1]=[C:2]([N:3]([N+:4]#[C-:5])[H:8])[N:7]=[C:6]([H:9])[H:10],"InChI=1S/C3H3N3O/c7-3-4-1-2-5-6-3/h1-2H,(H,4,6,7)","InChI=1S/C3H3N3O/c1-4-3(7)6-5-2/h1H2,(H,6,7)",93.03397,52.867369999999994,
8618,[O:1]=[c:2]1[n:3]([H:8])[n:4][c:5]([H:9])[c:6]([H:10])[n:7]1,[O-:1][N:3]([N-:4][C:5](=[C:6]([N+:7]#[C+:2])[H:10])[H:9])[H:8],"InChI=1S/C3H3N3O/c7-3-4-1-2-5-6-3/h1-2H,(H,4,6,7)","InChI=1S/C3H3N3O/c1-4-2-3-5-6-7/h2-3,6H",103.83739,84.88148000000001,
8619,[O:1]=[c:2]1[n:3]([H:8])[n:4][c:5]([H:9])[c:6]([H:10])[n:7]1,[C:6](#[N:7])[H:10].[N:4]#[C:5][H:9].[O:1]=[C:2]=[N:3][H:8],"InChI=1S/C3H3N3O/c7-3-4-1-2-5-6-3/h1-2H,(H,4,6,7)",InChI=1S/CHNO.2CHN/c2-1-3;2*1-2/h2H;2*1H,67.13029,16.12388,
8620,[O:1]=[c:2]1[n:3]([H:8])[n:4][c:5]([H:9])[c:6]([H:10])[n:7]1,[O:1]1/[C:2](=[N:7]/[C@:6]2([H:10])[N:4]=[C:5]2[H:9])[N:3]1[H:8],"InChI=1S/C3H3N3O/c7-3-4-1-2-5-6-3/h1-2H,(H,4,6,7)","InChI=1S/C3H3N3O/c1-2(4-1)5-3-6-7-3/h1-2H,(H,5,6)/t2-/m0/s1",110.67454,100.31339,
8621,[O:1]=[c:2]1[n:3]([H:8])[n:4][c:5]([H:9])[c:6]([H:10])[n:7]1,[O:1]=[C:2]=[N:7][C@:6]1([H:10])[N:3]([H:8])[N:4]=[C:5]1[H:9],"InChI=1S/C3H3N3O/c7-3-4-1-2-5-6-3/h1-2H,(H,4,6,7)","InChI=1S/C3H3N3O/c7-2-4-3-1-5-6-3/h1,3,6H/t3-/m1/s1",75.20931,38.33683,
8622,[O:1]=[c:2]1[n:3]([H:8])[n:4][c:5]([H:9])[c:6]([H:10])[n:7]1,[O:1]=[C:2]1[N+:4]([N-:3][H:8])=[C:5]([H:9])[C:6]([H:10])=[N:7]1,"InChI=1S/C3H3N3O/c7-3-4-1-2-5-6-3/h1-2H,(H,4,6,7)","InChI=1S/C3H3N3O/c4-6-2-1-5-3(6)7/h1-2,4H",30.55187,23.744329999999998,
8623,[O:1]=[c:2]1[n:3]([H:8])[n:4][c:5]([H:9])[c:6]([H:10])[n:7]1,[O:1]=[c:2]1[n-:3][n:4]([H:8])[c+:5]([H:9])[c:6]([H:10])[n:7]1,"InChI=1S/C3H3N3O/c7-3-4-1-2-5-6-3/h1-2H,(H,4,6,7)","InChI=1S/C3H3N3O/c7-3-4-1-2-5-6-3/h1-2,5H",65.09217,21.536270000000002,
8624,[O:1]=[c:2]1[n:3]([H:8])[n:4][c:5]([H:9])[c:6]([H:10])[n:7]1,[O:1]=[C:2]=[N:3]/[N:7]=[C:6]([C:5](=[N:4]/[H:8])\[H:9])/[H:10],"InChI=1S/C3H3N3O/c7-3-4-1-2-5-6-3/h1-2H,(H,4,6,7)","InChI=1S/C3H3N3O/c4-1-2-5-6-3-7/h1-2,4H/b4-1-,5-2-",70.66699,23.27998,
8625,[O:1]=[c:2]1[n:3]([H:8])[n:4][c:5]([H:9])[c:6]([H:10])[n:7]1,[H:9][H:10].[O:1]=[C:2]([N:3]([N+:4]#[C-:5])[H:8])[N+:7]#[C-:6],"InChI=1S/C3H3N3O/c7-3-4-1-2-5-6-3/h1-2H,(H,4,6,7)","InChI=1S/C3HN3O.H2/c1-4-3(7)6-5-2;/h(H,6,7);1H",111.21438,91.41398000000001,
8626,[O:1]=[c:2]1[n:3]([H:8])[n:4][c:5]([H:9])[c:6]([H:10])[n:7]1,[O:1]=[C:5]([C@@:6](/[N:4]=[N:3]/[H:8])([N+:7]#[C-:2])[H:10])[H:9],"InChI=1S/C3H3N3O/c7-3-4-1-2-5-6-3/h1-2H,(H,4,6,7)",InChI=1S/C3H3N3O/c1-5-3(2-7)6-4/h2-4H/b6-4+/t3-/m1/s1,99.58764000000001,70.79601,
8627,[C:1]([N:2]([C@@:3]([C:4]([O:5][H:15])([H:13])[H:14])([C:6]#[N:7])[H:12])[H:11])([H:8])([H:9])[H:10],[C:1]1([H:8])([H:9])[N:2]([H:11])[C@:3]([C:4]([O:5][H:15])([H:13])[H:14])([H:12])[C:6][N:7]1[H:10],"InChI=1S/C4H8N2O/c1-6-4(2-5)3-7/h4,6-7H,3H2,1H3/t4-/m1/s1","InChI=1S/C4H8N2O/c7-2-4-1-5-3-6-4/h4-7H,2-3H2/t4-/m1/s1",68.28494,44.34113,
8628,[C:1]([N:2]([C@@:3]([C:4]([O:5][H:15])([H:13])[H:14])([C:6]#[N:7])[H:12])[H:11])([H:8])([H:9])[H:10],[C:1]([N:2]([C@:3]([C:4]([C:6]#[N:7])([H:13])[H:14])([O:5][H:15])[H:12])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H8N2O/c1-6-4(2-5)3-7/h4,6-7H,3H2,1H3/t4-/m1/s1","InChI=1S/C4H8N2O/c1-6-4(7)2-3-5/h4,6-7H,2H2,1H3/t4-/m0/s1",66.48146,-5.25862,
8629,[C:1]([N:2]([C@@:3]([C:4]([O:5][H:15])([H:13])[H:14])([C:6]#[N:7])[H:12])[H:11])([H:8])([H:9])[H:10],[C:1]([N:2]([N:7]=[C:6]=[C:3]([C:4]([O:5][H:15])([H:13])[H:14])[H:12])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H8N2O/c1-6-4(2-5)3-7/h4,6-7H,3H2,1H3/t4-/m1/s1","InChI=1S/C4H8N2O/c1-5-6-3-2-4-7/h2,5,7H,4H2,1H3",76.77435,40.708259999999996,
8630,[C:1]([N:2]([C@@:3]([C:4]([O:5][H:15])([H:13])[H:14])([C:6]#[N:7])[H:12])[H:11])([H:8])([H:9])[H:10],[C:1](/[N:2]=[C:3](/[C:4]([O:5][H:15])([H:13])[H:14])[H:12])([H:8])([H:9])[H:10].[C:6]=[N:7][H:11],"InChI=1S/C4H8N2O/c1-6-4(2-5)3-7/h4,6-7H,3H2,1H3/t4-/m1/s1","InChI=1S/C3H7NO.CHN/c1-4-2-3-5;1-2/h2,5H,3H2,1H3;2H/b4-2+;",50.78853,42.363890000000005,
8631,[C:1]([N:2]([C@@:3]([C:4]([O:5][H:15])([H:13])[H:14])([C:6]#[N:7])[H:12])[H:11])([H:8])([H:9])[H:10],[C-:1]([N+:2]([C@@:3]([C:4]([O:5][H:15])([H:13])[H:14])([C:6]#[N:7])[H:12])([H:10])[H:11])([H:8])[H:9],"InChI=1S/C4H8N2O/c1-6-4(2-5)3-7/h4,6-7H,3H2,1H3/t4-/m1/s1","InChI=1S/C4H8N2O/c1-6-4(2-5)3-7/h4,7H,1,3,6H2/t4-/m1/s1",84.99298,71.85327,
8632,[C:1]([N:2]([C@@:3]([C:4]([O:5][H:15])([H:13])[H:14])([C:6]#[N:7])[H:12])[H:11])([H:8])([H:9])[H:10],[C:1]([N:2]1[C@:3]([C:4]([O:5][H:15])([H:13])[H:14])([H:12])[C:6][N:7]1[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H8N2O/c1-6-4(2-5)3-7/h4,6-7H,3H2,1H3/t4-/m1/s1","InChI=1S/C4H8N2O/c1-6-4(3-7)2-5-6/h4-5,7H,3H2,1H3/t4-/m1/s1",109.46453999999999,87.29299,
8633,[C:1]([N:2]([C@@:3]([C:4]([O:5][H:15])([H:13])[H:14])([C:6]#[N:7])[H:12])[H:11])([H:8])([H:9])[H:10],[C-:1]([N:2]([C+:3]([C:4]([O:5][H:15])([H:13])[H:14])[H:12])[H:11])([H:8])[H:9].[C:6](#[N:7])[H:10],"InChI=1S/C4H8N2O/c1-6-4(2-5)3-7/h4,6-7H,3H2,1H3/t4-/m1/s1","InChI=1S/C3H7NO.CHN/c1-4-2-3-5;1-2/h2,4-5H,1,3H2;1H",50.474090000000004,55.681709999999995,
8634,[C:1]([N:2]([C@@:3]([C:4]([O:5][H:15])([H:13])[H:14])([C:6]#[N:7])[H:12])[H:11])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:12].[N:2](=[C:3](/[C:4]([O:5][H:15])([H:13])[H:14])[C:6]#[N:7])\[H:11],"InChI=1S/C4H8N2O/c1-6-4(2-5)3-7/h4,6-7H,3H2,1H3/t4-/m1/s1","InChI=1S/C3H4N2O.CH4/c4-1-3(5)2-6;/h5-6H,2H2;1H4/b5-3+;",85.64921,2.7027799999999997,
8635,[C:1]([N:2]([C@@:3]([C:4]([O:5][H:15])([H:13])[H:14])([C:6]#[N:7])[H:12])[H:11])([H:8])([H:9])[H:10],[C:1]([N:2]([C:3](=[C:6]=[N:7][H:15])[H:12])[H:11])([H:8])([H:9])[H:10].[C:4](=[O:5])([H:13])[H:14],"InChI=1S/C4H8N2O/c1-6-4(2-5)3-7/h4,6-7H,3H2,1H3/t4-/m1/s1","InChI=1S/C3H6N2.CH2O/c1-5-3-2-4;1-2/h3-5H,1H3;1H2",34.66939,41.827659999999995,Retroene
8636,[C:1]([N:2]([C@@:3]([C:4]([O:5][H:15])([H:13])[H:14])([C:6]#[N:7])[H:12])[H:11])([H:8])([H:9])[H:10],[C:1]([N:2]([C:3]([C:6]#[N:7])([H:12])[H:13])[H:11])([H:8])([H:9])[H:10].[C:4]([O:5][H:15])[H:14],"InChI=1S/C4H8N2O/c1-6-4(2-5)3-7/h4,6-7H,3H2,1H3/t4-/m1/s1","InChI=1S/C3H6N2.CH2O/c1-5-3-2-4;1-2/h5H,3H2,1H3;1-2H",71.63456,79.77505,
8637,[C:1]([N:2]([C@@:3]([C:4]([O:5][H:15])([H:13])[H:14])([C:6]#[N:7])[H:12])[H:11])([H:8])([H:9])[H:10],[C:1]([N:2]([C@@:3]([C:4]([O:5][H:15])([H:13])[H:14])([N+:7]#[C-:6])[H:12])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H8N2O/c1-6-4(2-5)3-7/h4,6-7H,3H2,1H3/t4-/m1/s1","InChI=1S/C4H8N2O/c1-5-4(3-7)6-2/h4-5,7H,3H2,1H3/t4-/m1/s1",44.02803,22.497770000000003,
8638,[C:1]([N:2]([C@@:3]([C:4]([O:5][H:15])([H:13])[H:14])([C:6]#[N:7])[H:12])[H:11])([H:8])([H:9])[H:10],[C:1]([N:2]([C:6]1=[N:7][C@@:3]1([C:4]([O:5][H:15])([H:13])[H:14])[H:12])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H8N2O/c1-6-4(2-5)3-7/h4,6-7H,3H2,1H3/t4-/m1/s1","InChI=1S/C4H8N2O/c1-5-4-3(2-7)6-4/h3,7H,2H2,1H3,(H,5,6)/t3-/m1/s1",80.79937,28.31703,
8639,[C:1]([N:2]([C@@:3]([C:4]([O:5][H:15])([H:13])[H:14])([C:6]#[N:7])[H:12])[H:11])([H:8])([H:9])[H:10],[C:1](=[N:2][H:11])([H:8])[H:9].[C:3]([C:4]([O:5][H:15])([H:13])[H:14])(=[C:6]=[N:7][H:10])[H:12],"InChI=1S/C4H8N2O/c1-6-4(2-5)3-7/h4,6-7H,3H2,1H3/t4-/m1/s1","InChI=1S/C3H5NO.CH3N/c4-2-1-3-5;1-2/h1,4-5H,3H2;2H,1H2",51.41145,33.63627,Retroene
8640,[C:1]([N:2]([C@@:3]([C:4]([O:5][H:15])([H:13])[H:14])([C:6]#[N:7])[H:12])[H:11])([H:8])([H:9])[H:10],[C:1]([N:2]([C:3]([C:4]([O:5][H:15])([H:13])[H:14])=[C:6]=[N:7][H:12])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H8N2O/c1-6-4(2-5)3-7/h4,6-7H,3H2,1H3/t4-/m1/s1","InChI=1S/C4H8N2O/c1-6-4(2-5)3-7/h5-7H,3H2,1H3",83.73106,20.89088,
8641,[C:1]([N:2]([C@@:3]([C:4]([O:5][H:15])([H:13])[H:14])([C:6]#[N:7])[H:12])[H:11])([H:8])([H:9])[H:10],[C:1]([N:2]([C@@:3]1([H:12])[C:4]([H:13])([H:14])[O:5]/[C:6]1=[N:7]\[H:15])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H8N2O/c1-6-4(2-5)3-7/h4,6-7H,3H2,1H3/t4-/m1/s1","InChI=1S/C4H8N2O/c1-6-3-2-7-4(3)5/h3,5-6H,2H2,1H3/b5-4-/t3-/m0/s1",69.2305,11.69505,
8642,[C:1]([N:2]([C@@:3]([C:4]([O:5][H:15])([H:13])[H:14])([C:6]#[N:7])[H:12])[H:11])([H:8])([H:9])[H:10],[C:1](/[N:2]=[C:3](\[C:6]#[N:7])[H:12])([H:8])([H:9])[H:10].[C:4](=[O:5])([H:13])[H:14].[H:11][H:15],"InChI=1S/C4H8N2O/c1-6-4(2-5)3-7/h4,6-7H,3H2,1H3/t4-/m1/s1","InChI=1S/C3H4N2.CH2O.H2/c1-5-3-2-4;1-2;/h3H,1H3;1H2;1H/b5-3-;;",63.24612,42.9202,
8643,[C:1]([N:2]([C@@:3]([C:4]([O:5][H:15])([H:13])[H:14])([C:6]#[N:7])[H:12])[H:11])([H:8])([H:9])[H:10],[C:1]([N:2](/[C:3](=[C:4](\[O:5][H:15])[H:14])[H:12])[H:11])([H:8])([H:9])[H:10].[C:6](#[N:7])[H:13],"InChI=1S/C4H8N2O/c1-6-4(2-5)3-7/h4,6-7H,3H2,1H3/t4-/m1/s1","InChI=1S/C3H7NO.CHN/c1-4-2-3-5;1-2/h2-5H,1H3;1H/b3-2-;",70.54751999999999,21.43177,
8644,[C:1]([N:2]([C@@:3]([C:4]([O:5][H:15])([H:13])[H:14])([C:6]#[N:7])[H:12])[H:11])([H:8])([H:9])[H:10],[C:1]([N:2]([C:3](=[C:4]([H:13])[H:14])[C:6]#[N:7])[H:11])([H:8])([H:9])[H:10].[O:5]([H:12])[H:15],"InChI=1S/C4H8N2O/c1-6-4(2-5)3-7/h4,6-7H,3H2,1H3/t4-/m1/s1","InChI=1S/C4H6N2.H2O/c1-4(3-5)6-2;/h6H,1H2,2H3;1H2",56.668040000000005,6.857469999999999,"1,3_Insertion_ROR"
8645,[C:1]([N:2]([C@@:3]([C:4]([O:5][H:15])([H:13])[H:14])([C:6]#[N:7])[H:12])[H:11])([H:8])([H:9])[H:10],[C:1]([N+:2]([C-:3]([C:4]([O:5][H:15])([H:13])[H:14])[C:6]#[N:7])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H8N2O/c1-6-4(2-5)3-7/h4,6-7H,3H2,1H3/t4-/m1/s1","InChI=1S/C4H8N2O/c1-6-4(2-5)3-7/h7H,3,6H2,1H3",62.17285,38.65996,
8646,[C:1]([N:2]([C@@:3]([C:4]([O:5][H:15])([H:13])[H:14])([C:6]#[N:7])[H:12])[H:11])([H:8])([H:9])[H:10],[C+:1]([N:2]([C:3](=[C:6]=[N-:7])[H:12])[H:11])([H:8])[H:9].[C:4]([O:5][H:15])([H:10])([H:13])[H:14],"InChI=1S/C4H8N2O/c1-6-4(2-5)3-7/h4,6-7H,3H2,1H3/t4-/m1/s1","InChI=1S/C3H4N2.CH4O/c1-5-3-2-4;1-2/h3,5H,1H2;2H,1H3",61.2196,38.62658,
8647,[C:1]([N:2]([C@@:3]([C:4]([O:5][H:15])([H:13])[H:14])([C:6]#[N:7])[H:12])[H:11])([H:8])([H:9])[H:10],[C+:1]([N:2]([C:3]([C:4]([O:5][H:15])([H:13])[H:14])=[C:6]=[N-:7])[H:11])([H:8])[H:9].[H:10][H:12],"InChI=1S/C4H8N2O/c1-6-4(2-5)3-7/h4,6-7H,3H2,1H3/t4-/m1/s1","InChI=1S/C4H6N2O.H2/c1-6-4(2-5)3-7;/h6-7H,1,3H2;1H",50.46103,40.16222,
8648,[C:1]([N:2]([C@@:3]([C:4]([O:5][H:15])([H:13])[H:14])([C:6]#[N:7])[H:12])[H:11])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:11].[N:2](=[C:3](/[C:6]#[N:7])[H:12])\[C:4]([O:5][H:15])([H:13])[H:14],"InChI=1S/C4H8N2O/c1-6-4(2-5)3-7/h4,6-7H,3H2,1H3/t4-/m1/s1","InChI=1S/C3H4N2O.CH4/c4-1-2-5-3-6;/h2,6H,3H2;1H4/b5-2+;",87.52956,9.635769999999999,
8649,[O:1]([C@@:2]1([H:9])[C@@:3]2([H:10])[C@:4]3([H:11])[C:5]([H:12])([H:13])[N:6]2[C@:7]13[H:14])[H:8],[O:1]([C@@:2]1([H:9])[C+:3]([H:10])[N:6]2[C:5]([H:12])([H:13])[C-:4]([H:11])[C@@:7]12[H:14])[H:8],"InChI=1S/C5H7NO/c7-5-3-2-1-6(3)4(2)5/h2-5,7H,1H2/t2-,3+,4-,5-","InChI=1S/C5H7NO/c7-5-3-6-2-1-4(5)6/h1,3-5,7H,2H2/t4-,5-/m0/s1",23.25471,28.420309999999997,
8650,[O:1]([C@@:2]1([H:9])[C@@:3]2([H:10])[C@:4]3([H:11])[C:5]([H:12])([H:13])[N:6]2[C@:7]13[H:14])[H:8],[O:1]([C@@:2]1([H:9])[C:3][C@:4]2([H:11])[C:5]([H:12])([H:13])[N:6]([H:10])[C@:7]12[H:14])[H:8],"InChI=1S/C5H7NO/c7-5-3-2-1-6(3)4(2)5/h2-5,7H,1H2/t2-,3+,4-,5-","InChI=1S/C5H7NO/c7-4-1-3-2-6-5(3)4/h3-7H,2H2/t3-,4+,5+/m1/s1",60.15764,38.27621,
8651,[O:1]([C@@:2]1([H:9])[C@@:3]2([H:10])[C@:4]3([H:11])[C:5]([H:12])([H:13])[N:6]2[C@:7]13[H:14])[H:8],[O:1]([C@@:7]1([H:14])[C@@:2]2([H:9])[C@@:3]3([H:10])[C@:4]1([H:11])[C:5]([H:12])([H:13])[N:6]23)[H:8],"InChI=1S/C5H7NO/c7-5-3-2-1-6(3)4(2)5/h2-5,7H,1H2/t2-,3+,4-,5-","InChI=1S/C5H7NO/c7-5-2-1-6-3(2)4(5)6/h2-5,7H,1H2/t2-,3+,4+,5+,6?/m0/s1",49.465720000000005,-19.745179999999998,
8652,[O:1]([C@@:2]1([H:9])[C@@:3]2([H:10])[C@:4]3([H:11])[C:5]([H:12])([H:13])[N:6]2[C@:7]13[H:14])[H:8],[O:1]([C:2][C@:7]1([H:14])[C:4]2([H:11])[C:3]([H:9])([H:10])[N:6]1[C:5]2([H:12])[H:13])[H:8],"InChI=1S/C5H7NO/c7-5-3-2-1-6(3)4(2)5/h2-5,7H,1H2/t2-,3+,4-,5-","InChI=1S/C5H7NO/c7-3-5-4-1-6(5)2-4/h4-5,7H,1-2H2/t5-/m1/s1",59.24034,39.27766,
8653,[O:1]([C@@:2]1([H:9])[C@@:3]2([H:10])[C@:4]3([H:11])[C:5]([H:12])([H:13])[N:6]2[C@:7]13[H:14])[H:8],[O:1]([C@:2]1([H:9])[N:6]2[C@@:3]3([H:10])[C@:4]([H:11])([C:5]3([H:12])[H:13])[C@@:7]12[H:14])[H:8],"InChI=1S/C5H7NO/c7-5-3-2-1-6(3)4(2)5/h2-5,7H,1H2/t2-,3+,4-,5-","InChI=1S/C5H7NO/c7-5-4-2-1-3(2)6(4)5/h2-5,7H,1H2/t2-,3+,4-,5-,6?/m0/s1",70.32968000000001,-25.07317,
8654,[O:1]([C@@:2]1([H:9])[C@@:3]2([H:10])[C@:4]3([H:11])[C:5]([H:12])([H:13])[N:6]2[C@:7]13[H:14])[H:8],[O:1](/[C:2](=[C:3](/[C@:4]1([H:11])[C:5]([H:12])([H:13])[N:6]=[C:7]1[H:14])[H:10])[H:9])[H:8],"InChI=1S/C5H7NO/c7-5-3-2-1-6(3)4(2)5/h2-5,7H,1H2/t2-,3+,4-,5-","InChI=1S/C5H7NO/c7-2-1-5-3-6-4-5/h1-3,5,7H,4H2/b2-1+/t5-/m0/s1",30.189190000000004,-49.484840000000005,
8655,[O:1]([C@@:2]1([H:9])[C@@:3]2([H:10])[C@:4]3([H:11])[C:5]([H:12])([H:13])[N:6]2[C@:7]13[H:14])[H:8],[H:8][H:9].[O:1]=[C:2]1[C@@:3]2([H:10])[C@:4]3([H:11])[C:5]([H:12])([H:13])[N:6]2[C@:7]13[H:14],"InChI=1S/C5H7NO/c7-5-3-2-1-6(3)4(2)5/h2-5,7H,1H2/t2-,3+,4-,5-","InChI=1S/C5H5NO.H2/c7-5-3-2-1-6(3)4(2)5;/h2-4H,1H2;1H/t2-,3+,4-;",75.87254,15.272829999999999,
8656,[O:1]([C@@:2]1([H:9])[C@@:3]2([H:10])[C@:4]3([H:11])[C:5]([H:12])([H:13])[N:6]2[C@:7]13[H:14])[H:8],[O:1]=[C:2]([C@@:3]1([H:10])[C:4]2([H:11])[C:5]([H:12])([H:13])[N:6]1[C:7]2([H:8])[H:14])[H:9],"InChI=1S/C5H7NO/c7-5-3-2-1-6(3)4(2)5/h2-5,7H,1H2/t2-,3+,4-,5-","InChI=1S/C5H7NO/c7-3-5-4-1-6(5)2-4/h3-5H,1-2H2/t5-/m0/s1",58.4663,-14.352039999999999,
8657,[O:1]([C@@:2]1([H:9])[C@@:3]2([H:10])[C@:4]3([H:11])[C:5]([H:12])([H:13])[N:6]2[C@:7]13[H:14])[H:8],[O:1]([C@:2]1([H:9])[C@:3]2([H:10])[C-:4]3[N+:6]2([C:5]([H:11])([H:12])[H:13])[C@@:7]13[H:14])[H:8],"InChI=1S/C5H7NO/c7-5-3-2-1-6(3)4(2)5/h2-5,7H,1H2/t2-,3+,4-,5-","InChI=1S/C5H7NO/c1-6-2-3(6)5(7)4(2)6/h3-5,7H,1H3/t3-,4+,5+,6?",73.06127,38.76725,
8658,[O:1]([C@@:2]1([H:9])[C@@:3]2([H:10])[C@:4]3([H:11])[C:5]([H:12])([H:13])[N:6]2[C@:7]13[H:14])[H:8],[O:1]([C@:4]1([H:11])[C@:3]2([H:10])[C-:2]([H:9])[C@@:7]1([H:14])[N+:6]2=[C:5]([H:12])[H:13])[H:8],"InChI=1S/C5H7NO/c7-5-3-2-1-6(3)4(2)5/h2-5,7H,1H2/t2-,3+,4-,5-","InChI=1S/C5H7NO/c1-6-3-2-4(6)5(3)7/h2-5,7H,1H2/t3-,4+,5+",107.02776999999999,27.80531,
8659,[O:1]([C@@:2]1([H:9])[C@@:3]2([H:10])[C@:4]3([H:11])[C:5]([H:12])([H:13])[N:6]2[C@:7]13[H:14])[H:8],[O:1]1[C@@:2]2([H:9])[C@:3]1([H:10])[N:6]1[C:5]([H:12])([H:13])[C:4]([H:8])([H:11])[C@@:7]21[H:14],"InChI=1S/C5H7NO/c7-5-3-2-1-6(3)4(2)5/h2-5,7H,1H2/t2-,3+,4-,5-","InChI=1S/C5H7NO/c1-2-6-3(1)4-5(6)7-4/h3-5H,1-2H2/t3-,4+,5+/m0/s1",21.443820000000002,-16.28439,
8660,[O:1]([C@@:2]1([H:9])[C@@:3]2([H:10])[C@:4]3([H:11])[C:5]([H:12])([H:13])[N:6]2[C@:7]13[H:14])[H:8],[O:1]([C@@:2]1([H:9])[C@@:3]2([H:10])[C-:4]3[C:5]([H:12])([H:13])[N+:6]23[C:7]1([H:11])[H:14])[H:8],"InChI=1S/C5H7NO/c7-5-3-2-1-6(3)4(2)5/h2-5,7H,1H2/t2-,3+,4-,5-","InChI=1S/C5H7NO/c7-4-2-6-1-3(6)5(4)6/h4-5,7H,1-2H2/t4-,5-,6?/m1/s1",64.37074,32.45605,
8661,[O:1]([C@@:2]1([H:9])[C@@:3]2([H:10])[C@:4]3([H:11])[C:5]([H:12])([H:13])[N:6]2[C@:7]13[H:14])[H:8],[O:1]([C@@:2]1([H:9])[C:3]([H:10])=[N:6][C@:7]1([C:4](=[C:5]([H:12])[H:13])[H:11])[H:14])[H:8],"InChI=1S/C5H7NO/c7-5-3-2-1-6(3)4(2)5/h2-5,7H,1H2/t2-,3+,4-,5-","InChI=1S/C5H7NO/c1-2-4-5(7)3-6-4/h2-5,7H,1H2/t4-,5-/m0/s1",29.7597,-43.67138,
8662,[O:1]([C@@:2]1([H:9])[C@@:3]2([H:10])[C@:4]3([H:11])[C:5]([H:12])([H:13])[N:6]2[C@:7]13[H:14])[H:8],[C:2]1[C@@:3]2([H:10])[C@:4]3([H:11])[C:5]([H:12])([H:13])[N:6]2[C@:7]13[H:14].[O:1]([H:8])[H:9],"InChI=1S/C5H7NO/c7-5-3-2-1-6(3)4(2)5/h2-5,7H,1H2/t2-,3+,4-,5-","InChI=1S/C5H5N.H2O/c1-4-3-2-6(4)5(1)3;/h3-5H,2H2;1H2/t3-,4-,5+;",69.92998,73.69883,
8663,[C:1]([C:2]([C:3]([C:4]([C:5]([H:16])([H:17])[H:18])([H:14])[H:15])([C:6]#[N:7])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]1([H:8])([H:10])[C:2]([H:11])([H:12])[C@:3]([C:4]([C:5]([H:16])([H:17])[H:18])([H:14])[H:15])([H:13])[C:6][N:7]1[H:9],"InChI=1S/C6H11N/c1-3-6(4-2)5-7/h6H,3-4H2,1-2H3","InChI=1S/C6H11N/c1-2-6-3-4-7-5-6/h6-7H,2-4H2,1H3/t6-/m1/s1",82.64931999999999,47.24755,
8664,[C:1]([C:2]([C:3]([C:4]([C:5]([H:16])([H:17])[H:18])([H:14])[H:15])([C:6]#[N:7])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3](=[C:4]([H:14])[H:15])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10].[C:5]([N+:7]#[C-:6])([H:16])([H:17])[H:18],"InChI=1S/C6H11N/c1-3-6(4-2)5-7/h6H,3-4H2,1-2H3","InChI=1S/C4H8.C2H3N/c1-3-4-2;1-3-2/h3H,1,4H2,2H3;1H3",112.24618999999998,49.39244,
8665,[C:1]([C:2]([C:3]([C:4]([C:5]([H:16])([H:17])[H:18])([H:14])[H:15])([C:6]#[N:7])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](=[C:2]([H:11])[H:12])([H:8])[H:10].[C@@:3]1([C:4]([C:5]([H:16])([H:17])[H:18])([H:14])[H:15])([H:13])[C:6]([H:9])=[N:7]1,"InChI=1S/C6H11N/c1-3-6(4-2)5-7/h6H,3-4H2,1-2H3","InChI=1S/C4H7N.C2H4/c1-2-4-3-5-4;1-2/h3-4H,2H2,1H3;1-2H2/t4-;/m1./s1",84.81033000000001,66.80918,
8666,[C:1]([C:2]([C:3]([C:4]([C:5]([H:16])([H:17])[H:18])([H:14])[H:15])([C:6]#[N:7])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([C:4]([C:5]([H:16])([H:17])[H:18])([H:14])[H:15])([N+:7]#[C-:6])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H11N/c1-3-6(4-2)5-7/h6H,3-4H2,1-2H3","InChI=1S/C6H11N/c1-4-6(5-2)7-3/h6H,4-5H2,1-2H3",58.5325,24.42265,
8667,[C:1]([C:2]([C:3]([C:4]([C:5]([H:16])([H:17])[H:18])([H:14])[H:15])([C:6]#[N:7])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:3]1([H:13])[C:6]([C:5]([C:4]([H:14])([H:15])[H:17])([H:16])[H:18])=[N:7]1)([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H11N/c1-3-6(4-2)5-7/h6H,3-4H2,1-2H3","InChI=1S/C6H11N/c1-3-5-6(4-2)7-5/h5H,3-4H2,1-2H3/t5-/m0/s1",118.21803,35.24367,
8668,[C:1]([C:2]([C:3]([C:4]([C:5]([H:16])([H:17])[H:18])([H:14])[H:15])([C:6]#[N:7])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3](=[C:6]=[N:7][H:17])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10].[C:4](=[C:5]([H:16])[H:18])([H:14])[H:15],"InChI=1S/C6H11N/c1-3-6(4-2)5-7/h6H,3-4H2,1-2H3","InChI=1S/C4H7N.C2H4/c1-2-3-4-5;1-2/h3,5H,2H2,1H3;1-2H2",54.714830000000006,44.43023,Retroene
8669,[C:1]([C:2]([C:3]([C:4]([C:5]([H:16])([H:17])[H:18])([H:14])[H:15])([C:6]#[N:7])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C@:2]1([H:11])[C@:3]([C:4]([C:5]([H:16])([H:17])[H:18])([H:14])[H:15])([H:13])/[C:6]1=[N:7]/[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H11N/c1-3-6(4-2)5-7/h6H,3-4H2,1-2H3","InChI=1S/C6H11N/c1-3-5-4(2)6(5)7/h4-5,7H,3H2,1-2H3/b7-6+/t4-,5-/m1/s1",104.66256,32.27694,
8670,[C:1]([C:2]([C:3]([C:4]([C:5]([H:16])([H:17])[H:18])([H:14])[H:15])([C:6]#[N:7])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3](=[C:6]=[N:7][C:5]([C:4]([H:14])([H:15])[H:17])([H:16])[H:18])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H11N/c1-3-6(4-2)5-7/h6H,3-4H2,1-2H3","InChI=1S/C6H11N/c1-3-5-6-7-4-2/h5H,3-4H2,1-2H3",86.84470999999999,25.08584,
8671,[C:1]([C:2]([C:3]([C:4]([C:5]([H:16])([H:17])[H:18])([H:14])[H:15])([C:6]#[N:7])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](=[C:2]([C@@:3]([C:4]([C:5]([H:16])([H:17])[H:18])([H:14])[H:15])([C:6]#[N:7])[H:13])[H:11])([H:8])[H:10].[H:9][H:12],"InChI=1S/C6H11N/c1-3-6(4-2)5-7/h6H,3-4H2,1-2H3","InChI=1S/C6H9N.H2/c1-3-6(4-2)5-7;/h3,6H,1,4H2,2H3;1H/t6-;/m0./s1",110.55667,32.40439,
8672,[C:1]([C:2]([C:3]([C:4]([C:5]([H:16])([H:17])[H:18])([H:14])[H:15])([C:6]#[N:7])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](=[C:2]([H:11])[H:12])([H:8])[H:10].[C:3]([C:4]([C:5]([H:16])([H:17])[H:18])([H:14])[H:15])([C:6]#[N:7])([H:9])[H:13],"InChI=1S/C6H11N/c1-3-6(4-2)5-7/h6H,3-4H2,1-2H3","InChI=1S/C4H7N.C2H4/c1-2-3-4-5;1-2/h2-3H2,1H3;1-2H2",80.09978000000001,24.13952,
8673,[C:1]([C:2]([C:3]([C:4]([C:5]([H:16])([H:17])[H:18])([H:14])[H:15])([C:6]#[N:7])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2](/[C:3](=[C:4](/[C:5]([H:16])([H:17])[H:18])[H:15])[C:6]#[N:7])([H:11])[H:12])([H:8])([H:9])[H:10].[H:13][H:14],"InChI=1S/C6H11N/c1-3-6(4-2)5-7/h6H,3-4H2,1-2H3","InChI=1S/C6H9N.H2/c1-3-6(4-2)5-7;/h3H,4H2,1-2H3;1H/b6-3-;",97.24432,23.77897,
8674,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C:5]1([C:6]([H:14])([H:15])[H:16])[C:7]([H:17])([H:18])[H:19])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C:5]1)([H:8])([H:9])[H:10].[C:6]([C:7]([H:17])([H:18])[H:19])([H:14])([H:15])[H:16],"InChI=1S/C6H12O/c1-5-6(2,3)4-7-5/h5H,4H2,1-3H3/t5-/m1/s1","InChI=1S/C4H6O.C2H6/c1-4-2-3-5-4;1-2/h4H,3H2,1H3;1-2H3/t4-;/m1./s1",144.11072,96.56352,
8675,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C:5]1([C:6]([H:14])([H:15])[H:16])[C:7]([H:17])([H:18])[H:19])([H:8])([H:9])[H:10],[C:1]([C:2][C:5]([C:4]([O:3][H:11])([H:12])[H:13])([C:6]([H:14])([H:15])[H:16])[C:7]([H:17])([H:18])[H:19])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-5-6(2,3)4-7-5/h5H,4H2,1-3H3/t5-/m1/s1","InChI=1S/C6H12O/c1-4-6(2,3)5-7/h7H,5H2,1-3H3",67.19017,61.464209999999994,
8676,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C:5]1([C:6]([H:14])([H:15])[H:16])[C:7]([H:17])([H:18])[H:19])([H:8])([H:9])[H:10],[C:1](=[C:2]([C:5]([C:4]([O:3][H:8])([H:12])[H:13])([C:6]([H:14])([H:15])[H:16])[C:7]([H:17])([H:18])[H:19])[H:11])([H:9])[H:10],"InChI=1S/C6H12O/c1-5-6(2,3)4-7-5/h5H,4H2,1-3H3/t5-/m1/s1","InChI=1S/C6H12O/c1-4-6(2,3)5-7/h4,7H,1,5H2,2-3H3",54.64601,-8.20983,
8677,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C:5]1([C:6]([H:14])([H:15])[H:16])[C:7]([H:17])([H:18])[H:19])([H:8])([H:9])[H:10],[C:1]([C@@:2]([O+:3]=[C-:4][H:12])([C:5]([C:6]([H:14])([H:15])[H:16])([C:7]([H:17])([H:18])[H:19])[H:13])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-5-6(2,3)4-7-5/h5H,4H2,1-3H3/t5-/m1/s1","InChI=1S/C6H12O/c1-5(2)6(3)7-4/h4-6H,1-3H3/t6-/m1/s1",64.37854,46.584559999999996,
8678,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C:5]1([C:6]([H:14])([H:15])[H:16])[C:7]([H:17])([H:18])[H:19])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:5]([C:6]([H:14])([H:15])[H:16])[C:7]([H:17])([H:18])[H:19])[H:11])([H:8])([H:9])[H:10].[O:3]=[C:4]([H:12])[H:13],"InChI=1S/C6H12O/c1-5-6(2,3)4-7-5/h5H,4H2,1-3H3/t5-/m1/s1","InChI=1S/C5H10.CH2O/c1-4-5(2)3;1-2/h4H,1-3H3;1H2",51.83513,6.30818,2+2_cycloaddition
8679,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C:5]1([C:6]([H:14])([H:15])[H:16])[C:7]([H:17])([H:18])[H:19])([H:8])([H:9])[H:10],[C-:2]1=[O+:3][C:4]([H:12])([H:13])[C:5]1([C:6]([H:14])([H:15])[H:16])[C:7]([H:17])([H:18])[H:19].[C:1]([H:8])([H:9])([H:10])[H:11],"InChI=1S/C6H12O/c1-5-6(2,3)4-7-5/h5H,4H2,1-3H3/t5-/m1/s1","InChI=1S/C5H8O.CH4/c1-5(2)3-6-4-5;/h3H2,1-2H3;1H4",75.02009,59.91228,
8680,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C:5]1([C:6]([H:14])([H:15])[H:16])[C:7]([H:17])([H:18])[H:19])([H:8])([H:9])[H:10],[C:1]([C:5]([C@@:2]1([H:11])[O:3][C:4]1([H:12])[H:13])([C:6]([H:14])([H:15])[H:16])[C:7]([H:17])([H:18])[H:19])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-5-6(2,3)4-7-5/h5H,4H2,1-3H3/t5-/m1/s1","InChI=1S/C6H12O/c1-6(2,3)5-4-7-5/h5H,4H2,1-3H3/t5-/m0/s1",99.53574,3.06608,
8681,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C:5]1([C:6]([H:14])([H:15])[H:16])[C:7]([H:17])([H:18])[H:19])([H:8])([H:9])[H:10],[C:1]([C@@:2]([O:3][H:13])([C:5]([C:4][H:12])([C:6]([H:14])([H:15])[H:16])[C:7]([H:17])([H:18])[H:19])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-5-6(2,3)4-7-5/h5H,4H2,1-3H3/t5-/m1/s1","InChI=1S/C6H12O/c1-5(7)6(2,3)4/h2,5,7H,1,3-4H3/t5-/m1/s1",73.87100000000001,73.99444,
8682,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C:5]1([C:6]([H:14])([H:15])[H:16])[C:7]([H:17])([H:18])[H:19])([H:8])([H:9])[H:10],[C:1]([C:2][H:11])([H:8])([H:9])[H:10].[O:3]1[C:4]([H:12])([H:13])[C:5]1([C:6]([H:14])([H:15])[H:16])[C:7]([H:17])([H:18])[H:19],"InChI=1S/C6H12O/c1-5-6(2,3)4-7-5/h5H,4H2,1-3H3/t5-/m1/s1","InChI=1S/C4H8O.C2H4/c1-4(2)3-5-4;1-2/h3H2,1-2H3;1H,2H3",104.66682,104.8415,
8683,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C:5]1([C:6]([H:14])([H:15])[H:16])[C:7]([H:17])([H:18])[H:19])([H:8])([H:9])[H:10],[C:1]([C:2](=[O:3])[H:11])([H:8])([H:9])[H:10].[C:4](=[C:5]([C:6]([H:14])([H:15])[H:16])[C:7]([H:17])([H:18])[H:19])([H:12])[H:13],"InChI=1S/C6H12O/c1-5-6(2,3)4-7-5/h5H,4H2,1-3H3/t5-/m1/s1","InChI=1S/C4H8.C2H4O/c1-4(2)3;1-2-3/h1H2,2-3H3;2H,1H3",53.57235,-1.13211,2+2_cycloaddition
8684,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C:5]1([C:6]([H:14])([H:15])[H:16])[C:7]([H:17])([H:18])[H:19])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C:6]([H:15])([H:16])[C:5]1=[C:7]([H:18])[H:19])([H:8])([H:9])[H:10].[H:14][H:17],"InChI=1S/C6H12O/c1-5-6(2,3)4-7-5/h5H,4H2,1-3H3/t5-/m1/s1","InChI=1S/C6H10O.H2/c1-5-3-4-7-6(5)2;/h6H,1,3-4H2,2H3;1H/t6-;/m1./s1",104.69485,14.58503,
8685,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C:5]1([C:6]([H:14])([H:15])[H:16])[C:7]([H:17])([H:18])[H:19])([H:8])([H:9])[H:10],[C:1]([C-:2]=[O+:3][C:4]([C:5]([C:6]([H:14])([H:15])[H:16])([C:7]([H:17])([H:18])[H:19])[H:11])([H:12])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-5-6(2,3)4-7-5/h5H,4H2,1-3H3/t5-/m1/s1","InChI=1S/C6H12O/c1-4-7-5-6(2)3/h6H,5H2,1-3H3",60.67471,40.96042,
8686,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C:5]1([C:6]([H:14])([H:15])[H:16])[C:7]([H:17])([H:18])[H:19])([H:8])([H:9])[H:10],[C:1]([C@@:2]([O:3][H:14])([C:5]1([C:7]([H:17])([H:18])[H:19])[C:4]([H:12])([H:13])[C:6]1([H:15])[H:16])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-5-6(2,3)4-7-5/h5H,4H2,1-3H3/t5-/m1/s1","InChI=1S/C6H12O/c1-5(7)6(2)3-4-6/h5,7H,3-4H2,1-2H3/t5-/m1/s1",88.48567,-3.08953,
8687,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C:5]1([C:6]([H:14])([H:15])[H:16])[C:7]([H:17])([H:18])[H:19])([H:8])([H:9])[H:10],[C:1]([O:3][C:4]([C:5]([C:2][H:11])([C:6]([H:14])([H:15])[H:16])[C:7]([H:17])([H:18])[H:19])([H:12])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-5-6(2,3)4-7-5/h5H,4H2,1-3H3/t5-/m1/s1","InChI=1S/C6H12O/c1-6(2,3)5-7-4/h1H,5H2,2-4H3",114.09158000000001,89.20586999999999,
8688,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C:5]1([C:6]([H:14])([H:15])[H:16])[C:7]([H:17])([H:18])[H:19])([H:8])([H:9])[H:10],[C:1]([C:2]([O:3][C:4]([C:5]([C:6]([H:14])([H:15])[H:16])=[C:7]([H:17])[H:19])([H:12])[H:13])([H:8])[H:11])([H:9])([H:10])[H:18],"InChI=1S/C6H12O/c1-5-6(2,3)4-7-5/h5H,4H2,1-3H3/t5-/m1/s1","InChI=1S/C6H12O/c1-4-7-5-6(2)3/h2,4-5H2,1,3H3",94.03068,0.7138,
8689,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C:5]1([C:6]([H:14])([H:15])[H:16])[C:7]([H:17])([H:18])[H:19])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[O+:3]=[C-:4][C:5]1([C:6]([H:14])([H:15])[H:16])[C:7]([H:17])([H:18])[H:19])([H:8])([H:9])[H:10].[H:12][H:13],"InChI=1S/C6H12O/c1-5-6(2,3)4-7-5/h5H,4H2,1-3H3/t5-/m1/s1","InChI=1S/C6H10O.H2/c1-5-6(2,3)4-7-5;/h5H,1-3H3;1H/t5-;/m1./s1",75.88410999999999,68.84966999999999,
8690,[C:1]([C@@:2]([C:3]([C:4]#[C:5][H:14])([H:12])[H:13])([C:6]#[C:7][H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]([C:3]([C:5](=[C:4])[H:14])([H:12])[H:13])([C:6]#[C:7][H:15])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C7H8/c1-4-6-7(3)5-2/h1-2,7H,6H2,3H3/t7-/m1/s1","InChI=1S/C7H8/c1-4-6-7(3)5-2/h2,4,7H,6H2,3H3/t7-/m1/s1",58.738009999999996,52.308279999999996,Singlet_Carbene_Intra_Disproportionation
8691,[C:1]([C@@:2]([C:3]([C:4]#[C:5][H:14])([H:12])[H:13])([C:6]#[C:7][H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([C:7](=[C:6]=[C:2]([C:3]([C:4]#[C:5][H:14])([H:12])[H:13])[H:11])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C7H8/c1-4-6-7(3)5-2/h1-2,7H,6H2,3H3/t7-/m1/s1","InChI=1S/C7H8/c1-3-5-7-6-4-2/h1,4,7H,5H2,2H3",76.54379,-5.73635,
8692,[C:1]([C@@:2]([C:3]([C:4]#[C:5][H:14])([H:12])[H:13])([C:6]#[C:7][H:15])[H:11])([H:8])([H:9])[H:10],[C:1]1([H:8])([H:9])[C@:2]([C:3]([C:4]#[C:5][H:14])([H:12])[H:13])([H:11])[C:6][C:7]1([H:10])[H:15],"InChI=1S/C7H8/c1-4-6-7(3)5-2/h1-2,7H,6H2,3H3/t7-/m1/s1","InChI=1S/C7H8/c1-2-4-7-5-3-6-7/h1,7H,3-5H2/t7-/m1/s1",93.74027,61.812490000000004,
8693,[C:1]([C@@:2]([C:3]([C:4]#[C:5][H:14])([H:12])[H:13])([C:6]#[C:7][H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([C:4]#[C:5][H:14])([H:12])[H:13])=[C:6]=[C:7]([H:11])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C7H8/c1-4-6-7(3)5-2/h1-2,7H,6H2,3H3/t7-/m1/s1","InChI=1S/C7H8/c1-4-6-7(3)5-2/h1H,2,6H2,3H3",68.84325,-7.19641,
8694,[C:1]([C@@:2]([C:3]([C:4]#[C:5][H:14])([H:12])[H:13])([C:6]#[C:7][H:15])[H:11])([H:8])([H:9])[H:10],[C:1]1([H:8])([H:9])[C@@:2]([C:6](=[C-:7][H:15])[H:10])([H:11])[C:3]([H:12])([H:13])[C+:4]=[C:5]1[H:14],"InChI=1S/C7H8/c1-4-6-7(3)5-2/h1-2,7H,6H2,3H3/t7-/m1/s1","InChI=1S/C7H8/c1-2-7-5-3-4-6-7/h1-3,7H,5-6H2/t7-/m0/s1",91.79217,70.59729,
8695,[C:1]([C@@:2]([C:3]([C:4]#[C:5][H:14])([H:12])[H:13])([C:6]#[C:7][H:15])[H:11])([H:8])([H:9])[H:10],[C:1](=[C:2]([C:6]#[C:7][H:15])[H:11])([H:8])[H:9].[C:3](=[C:4]=[C:5]([H:10])[H:14])([H:12])[H:13],"InChI=1S/C7H8/c1-4-6-7(3)5-2/h1-2,7H,6H2,3H3/t7-/m1/s1","InChI=1S/C4H4.C3H4/c1-3-4-2;1-3-2/h1,4H,2H2;1-2H2",38.83287,13.98595,Retroene
8696,[C:1]([C@@:2]([C:3]([C:4]#[C:5][H:14])([H:12])[H:13])([C:6]#[C:7][H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]([C:3]([C:4]#[C:5][H:14])([H:12])[H:13])([C:7](=[C:6])[H:15])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C7H8/c1-4-6-7(3)5-2/h1-2,7H,6H2,3H3/t7-/m1/s1","InChI=1S/C7H8/c1-4-6-7(3)5-2/h1,5,7H,6H2,3H3/t7-/m1/s1",57.401219999999995,51.68455,Singlet_Carbene_Intra_Disproportionation
8697,[C:1]([C@@:2]([C:3]([C:4]#[C:5][H:14])([H:12])[H:13])([C:6]#[C:7][H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]2=[C:5]([H:14])[C:6]2=[C:7]1[H:15])([H:8])([H:9])[H:10],"InChI=1S/C7H8/c1-4-6-7(3)5-2/h1-2,7H,6H2,3H3/t7-/m1/s1","InChI=1S/C7H8/c1-5-2-6-4-7(6)3-5/h2,4-5H,3H2,1H3/t5-/m1/s1",60.04295,14.50685,
8698,[C:1]([C@@:2]([C:3]([C:4]#[C:5][H:14])([H:12])[H:13])([C:6]#[C:7][H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])=[C:5]2[C:6]1=[C:7]2[H:15])([H:8])([H:9])[H:10],"InChI=1S/C7H8/c1-4-6-7(3)5-2/h1-2,7H,6H2,3H3/t7-/m1/s1","InChI=1S/C7H8/c1-5-2-3-6-4-7(5)6/h3-5H,2H2,1H3/t5-/m0/s1",82.89303000000001,15.40509,
8699,[C:1]([C@@:2]([C:3]([C:4]#[C:5][H:14])([H:12])[H:13])([C:6]#[C:7][H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:6]=[C:7]([C:5](=[C:4]=[C:3]([H:12])[H:13])[H:14])[H:15])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C7H8/c1-4-6-7(3)5-2/h1-2,7H,6H2,3H3/t7-/m1/s1","InChI=1S/C7H8/c1-3-5-7-6-4-2/h4-5,7H,1H2,2H3",25.35701,-14.8679,6_membered_central_C-C_shift
8700,[C:1]([C@@:2]([C:3]([C:4]#[C:5][H:14])([H:12])[H:13])([C:6]#[C:7][H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4](=[C:5])[C:6]1=[C:7]([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C7H8/c1-4-6-7(3)5-2/h1-2,7H,6H2,3H3/t7-/m1/s1","InChI=1S/C7H8/c1-5-4-6(2)7(5)3/h5H,3-4H2,1H3/t5-/m0/s1",77.93114,38.322720000000004,
8701,[C:1]([C@@:2]([C:3]([C:4]#[C:5][H:14])([H:12])[H:13])([C:6]#[C:7][H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([C-:2]=[C:6]=[C+:7][H:15])([H:8])([H:9])[H:10].[C:3]([C:4]#[C:5][H:14])([H:11])([H:12])[H:13],"InChI=1S/C7H8/c1-4-6-7(3)5-2/h1-2,7H,6H2,3H3/t7-/m1/s1","InChI=1S/C4H4.C3H4/c1-3-4-2;1-3-2/h1H,2H3;1H,2H3",69.80523000000001,76.94539,
8702,[C:1](/[N:2]=[C:3]1/[C:4]([H:11])([H:12])[O:5][C:6]([H:13])([H:14])[O:7]1)([H:8])([H:9])[H:10],[C:1]([N:2]=[C:3]=[C:4]([O:5][H:12])[H:11])([H:8])([H:9])[H:10].[C:6](=[O:7])([H:13])[H:14],"InChI=1S/C4H7NO2/c1-5-4-2-6-3-7-4/h2-3H2,1H3/b5-4-","InChI=1S/C3H5NO.CH2O/c1-4-2-3-5;1-2/h3,5H,1H3;1H2",77.02266999999999,39.02812,
8703,[C:1](/[N:2]=[C:3]1/[C:4]([H:11])([H:12])[O:5][C:6]([H:13])([H:14])[O:7]1)([H:8])([H:9])[H:10],[C-:4]([O+:5]=[C:6]([H:13])[H:14])([H:11])[H:12].[C:1]([N:2]=[C:3]=[O:7])([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-5-4-2-6-3-7-4/h2-3H2,1H3/b5-4-",InChI=1S/C2H3NO.C2H4O/c1-3-2-4;1-3-2/h1H3;1-2H2,47.792120000000004,54.64366,
8704,[C:1](/[N:2]=[C:3]1/[C:4]([H:11])([H:12])[O:5][C:6]([H:13])([H:14])[O:7]1)([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:14].[N:2]#[C:3][C:4]([O:5][C:6](=[O:7])[H:13])([H:11])[H:12],"InChI=1S/C4H7NO2/c1-5-4-2-6-3-7-4/h2-3H2,1H3/b5-4-","InChI=1S/C3H3NO2.CH4/c4-1-2-6-3-5;/h3H,2H2;1H4",95.26612,-8.418989999999999,
8705,[C:1](/[N:2]=[C:3]1/[C:4]([H:11])([H:12])[O:5][C:6]([H:13])([H:14])[O:7]1)([H:8])([H:9])[H:10],[C:1]([N+:2]#[C-:3])([H:8])([H:9])[H:10].[C:4](=[O:5])([H:11])[H:12].[C:6](=[O:7])([H:13])[H:14],"InChI=1S/C4H7NO2/c1-5-4-2-6-3-7-4/h2-3H2,1H3/b5-4-",InChI=1S/C2H3N.2CH2O/c1-3-2;2*1-2/h1H3;2*1H2,50.99185,52.05046,
8706,[C:1](/[N:2]=[C:3]1/[C:4]([H:11])([H:12])[O:5][C:6]([H:13])([H:14])[O:7]1)([H:8])([H:9])[H:10],[C:1]([O:7][C:6]([O:5][C:4]([C:3]#[N:2])([H:11])[H:12])([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-5-4-2-6-3-7-4/h2-3H2,1H3/b5-4-","InChI=1S/C4H7NO2/c1-6-4-7-3-2-5/h3-4H2,1H3",85.10065,9.62257,
8707,[C:1](/[N:2]=[C:3]1/[C:4]([H:11])([H:12])[O:5][C:6]([H:13])([H:14])[O:7]1)([H:8])([H:9])[H:10],[C:1]([N:2]1[C:3](=[C:4]([H:11])[H:12])[O:7][C:6]([H:13])([H:14])[O:5]1)([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-5-4-2-6-3-7-4/h2-3H2,1H3/b5-4-","InChI=1S/C4H7NO2/c1-4-5(2)7-3-6-4/h1,3H2,2H3",63.29343000000001,42.836729999999996,
8708,[C:1](/[N:2]=[C:3]1/[C:4]([H:11])([H:12])[O:5][C:6]([H:13])([H:14])[O:7]1)([H:8])([H:9])[H:10],[C:1](/[N:2]=[C:3](/[C:4]([O:5][C:6](=[O:7])[H:14])([H:11])[H:12])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-5-4-2-6-3-7-4/h2-3H2,1H3/b5-4-","InChI=1S/C4H7NO2/c1-5-2-3-7-4-6/h2,4H,3H2,1H3/b5-2+",61.52305,-6.7779,
8709,[C:1](/[N:2]=[C:3]1/[C:4]([H:11])([H:12])[O:5][C:6]([H:13])([H:14])[O:7]1)([H:8])([H:9])[H:10],[C:1](/[N:2]=[C:3]1/[C:4]([H:11])([H:12])[O+:5]=[C-:6][O:7]1)([H:8])([H:9])[H:10].[H:13][H:14],"InChI=1S/C4H7NO2/c1-5-4-2-6-3-7-4/h2-3H2,1H3/b5-4-","InChI=1S/C4H5NO2.H2/c1-5-4-2-6-3-7-4;/h2H2,1H3;1H/b5-4-;",72.54675,46.085879999999996,
8710,[C:1](/[N:2]=[C:3]1/[C:4]([H:11])([H:12])[O:5][C:6]([H:13])([H:14])[O:7]1)([H:8])([H:9])[H:10],[C:1]([N:2]([C:3]1=[C:4]([H:12])[O:5][C:6]([H:13])([H:14])[O:7]1)[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-5-4-2-6-3-7-4/h2-3H2,1H3/b5-4-","InChI=1S/C4H7NO2/c1-5-4-2-6-3-7-4/h2,5H,3H2,1H3",68.93111,16.29583,
8711,[C:1](/[N:2]=[C:3]1/[C:4]([H:11])([H:12])[O:5][C:6]([H:13])([H:14])[O:7]1)([H:8])([H:9])[H:10],[C:1]([N:2]1[C:3](=[O:7])[C:4]1([H:11])[H:12])([H:8])([H:9])[H:10].[O:5]=[C:6]([H:13])[H:14],"InChI=1S/C4H7NO2/c1-5-4-2-6-3-7-4/h2-3H2,1H3/b5-4-","InChI=1S/C3H5NO.CH2O/c1-4-2-3(4)5;1-2/h2H2,1H3;1H2",46.64828,34.77582,
8712,[C:1](/[N:2]=[C:3]1/[C:4]([H:11])([H:12])[O:5][C:6]([H:13])([H:14])[O:7]1)([H:8])([H:9])[H:10],[C:1](/[N:2]=[C:3](/[C:4](=[O:5])[H:11])[H:12])([H:8])([H:9])[H:10].[C:6](=[O:7])([H:13])[H:14],"InChI=1S/C4H7NO2/c1-5-4-2-6-3-7-4/h2-3H2,1H3/b5-4-","InChI=1S/C3H5NO.CH2O/c1-4-2-3-5;1-2/h2-3H,1H3;1H2/b4-2+;",69.19552,20.167279999999998,
8713,[C:1](/[N:2]=[C:3]1/[C:4]([H:11])([H:12])[O:5][C:6]([H:13])([H:14])[O:7]1)([H:8])([H:9])[H:10],[C:1](/[N:2]=[C:3]1/[C-:4]=[O+:5][C:6]([H:13])([H:14])[O:7]1)([H:8])([H:9])[H:10].[H:11][H:12],"InChI=1S/C4H7NO2/c1-5-4-2-6-3-7-4/h2-3H2,1H3/b5-4-","InChI=1S/C4H5NO2.H2/c1-5-4-2-6-3-7-4;/h3H2,1H3;1H/b5-4-;",74.46709,66.74105,
8714,[C:1](/[N:2]=[C:3]1/[C:4]([H:11])([H:12])[O:5][C:6]([H:13])([H:14])[O:7]1)([H:8])([H:9])[H:10],[C:1](=[N:2][C@:3]1([H:8])[C:4]([H:11])([H:12])[O:5][C:6]([H:13])([H:14])[O:7]1)([H:9])[H:10],"InChI=1S/C4H7NO2/c1-5-4-2-6-3-7-4/h2-3H2,1H3/b5-4-","InChI=1S/C4H7NO2/c1-5-4-2-6-3-7-4/h4H,1-3H2/t4-/m0/s1",80.08941999999999,11.61548,
8715,[C:1](/[N:2]=[C:3]1/[C:4]([H:11])([H:12])[O:5][C:6]([H:13])([H:14])[O:7]1)([H:8])([H:9])[H:10],[C:1](=[N+:2]=[C-:3][C:4]([O:5][C:6](=[O:7])[H:13])([H:11])[H:12])([H:9])[H:10].[H:8][H:14],"InChI=1S/C4H7NO2/c1-5-4-2-6-3-7-4/h2-3H2,1H3/b5-4-","InChI=1S/C4H5NO2.H2/c1-5-2-3-7-4-6;/h4H,1,3H2;1H",82.5233,42.02165,
8716,[C:1](/[N:2]=[C:3]1/[C:4]([H:11])([H:12])[O:5][C:6]([H:13])([H:14])[O:7]1)([H:8])([H:9])[H:10],[C:1]([N:2]1[C:3](=[O:7])[C:4]([H:11])([H:12])[O:5][C:6]1([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-5-4-2-6-3-7-4/h2-3H2,1H3/b5-4-","InChI=1S/C4H7NO2/c1-5-3-7-2-4(5)6/h2-3H2,1H3",50.408609999999996,-15.849129999999999,ketoenol
8717,[C:1](/[N:2]=[C:3]1/[C:4]([H:11])([H:12])[O:5][C:6]([H:13])([H:14])[O:7]1)([H:8])([H:9])[H:10],[C:1](=[N:2][C:3]([C:4]([O:5][C:6]([H:8])([H:13])[H:14])([H:11])[H:12])=[O:7])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-5-4-2-6-3-7-4/h2-3H2,1H3/b5-4-","InChI=1S/C4H7NO2/c1-5-4(6)3-7-2/h1,3H2,2H3",58.74935,7.03234,
8718,[C:1](/[N:2]=[C:3]1/[C:4]([H:11])([H:12])[O:5][C:6]([H:13])([H:14])[O:7]1)([H:8])([H:9])[H:10],[C:1](/[N:2]=[C:3](/[C:4]([O+:5]=[C-:6][H:14])([H:11])[H:12])[O:7][H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-5-4-2-6-3-7-4/h2-3H2,1H3/b5-4-","InChI=1S/C4H7NO2/c1-5-4(6)3-7-2/h2H,3H2,1H3,(H,5,6)",71.98557,59.59032,
8719,[C:1](/[N:2]=[C:3]1/[C:4]([H:11])([H:12])[O:5][C:6]([H:13])([H:14])[O:7]1)([H:8])([H:9])[H:10],[C-:1]([N:2]([C:3]1=[O+:7][C:6]([H:13])([H:14])[O:5][C:4]1([H:11])[H:12])[H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-5-4-2-6-3-7-4/h2-3H2,1H3/b5-4-","InChI=1S/C4H7NO2/c1-5-4-2-6-3-7-4/h5H,1-3H2",72.99741999999999,46.65627,
8720,[C:1](/[N:2]=[C:3]1/[C:4]([H:11])([H:12])[O:5][C:6]([H:13])([H:14])[O:7]1)([H:8])([H:9])[H:10],[C:1]([N:2]([C:3](=[C:4]([H:11])[H:12])[O:7][C:6](=[O:5])[H:14])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-5-4-2-6-3-7-4/h2-3H2,1H3/b5-4-","InChI=1S/C4H7NO2/c1-4(5-2)7-3-6/h3,5H,1H2,2H3",62.93626,-7.119,
8721,[C:1]([C@@:2]([O:3][H:12])([C:4]([N:5]([C:6](=[O:7])[H:16])[H:15])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C-:6]#[O+:7].[C:1]([C@@:2]([O:3][H:12])(/[C:4](=[N:5]/[H:15])[H:14])[H:11])([H:8])([H:9])[H:10].[H:13][H:16],"InChI=1S/C4H9NO2/c1-4(7)2-5-3-6/h3-4,7H,2H2,1H3,(H,5,6)/t4-/m1/s1","InChI=1S/C3H7NO.CO.H2/c1-3(5)2-4;1-2;/h2-5H,1H3;;1H/b4-2+;;/t3-;;/m1../s1",69.28748,37.32519,
8722,[C:1]([C@@:2]([O:3][H:12])([C:4]([N:5]([C:6](=[O:7])[H:16])[H:15])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]([O:3][H:12])([C:4](/[N:5]=[C:6](/[O:7][H:15])[H:16])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H9NO2/c1-4(7)2-5-3-6/h3-4,7H,2H2,1H3,(H,5,6)/t4-/m1/s1","InChI=1S/C4H9NO2/c1-4(7)2-5-3-6/h3-4,7H,2H2,1H3,(H,5,6)/t4-/m1/s1",43.10095,10.93952,ketoenol
8723,[C:1]([C@@:2]([O:3][H:12])([C:4]([N:5]([C:6](=[O:7])[H:16])[H:15])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C:4]([C:2](=[O:3])[H:11])([H:13])[H:14])([H:8])([H:9])[H:10].[N:5](=[C:6](/[O:7][H:12])[H:16])\[H:15],"InChI=1S/C4H9NO2/c1-4(7)2-5-3-6/h3-4,7H,2H2,1H3,(H,5,6)/t4-/m1/s1","InChI=1S/C3H6O.CH3NO/c1-2-3-4;2-1-3/h3H,2H2,1H3;1H,(H2,2,3)",59.55766,19.30623,
8724,[C:1]([C@@:2]([O:3][H:12])([C:4]([N:5]([C:6](=[O:7])[H:16])[H:15])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2](=[O:3])[C:4]([N:5]([C:6]([O:7][H:12])([H:11])[H:16])[H:15])([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C4H9NO2/c1-4(7)2-5-3-6/h3-4,7H,2H2,1H3,(H,5,6)/t4-/m1/s1","InChI=1S/C4H9NO2/c1-4(7)2-5-3-6/h5-6H,2-3H2,1H3",49.00685,19.56268,
8725,[C:1]([C@@:2]([O:3][H:12])([C:4]([N:5]([C:6](=[O:7])[H:16])[H:15])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]([O:3][H:12])([C:4]([N:5]([C:6][O:7][H:16])[H:15])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H9NO2/c1-4(7)2-5-3-6/h3-4,7H,2H2,1H3,(H,5,6)/t4-/m1/s1","InChI=1S/C4H9NO2/c1-4(7)2-5-3-6/h4-7H,2H2,1H3/t4-/m1/s1",74.04519,45.390679999999996,
8726,[C:1]([C@@:2]([O:3][H:12])([C:4]([N:5]([C:6](=[O:7])[H:16])[H:15])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:4]([N:5]([C+:6]([O-:7])[H:16])[H:15])[H:14])[H:11])([H:8])([H:9])[H:10].[O:3]([H:12])[H:13],"InChI=1S/C4H9NO2/c1-4(7)2-5-3-6/h3-4,7H,2H2,1H3,(H,5,6)/t4-/m1/s1","InChI=1S/C4H7NO.H2O/c1-2-3-5-4-6;/h2-5H,1H3;1H2",55.929559999999995,15.722079999999998,"1,3_Insertion_ROR"
8727,[C:1]([C@@:2]([O:3][H:12])([C:4]([N:5]([C:6](=[O:7])[H:16])[H:15])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2](=[O:3])[H:11])([H:8])([H:9])[H:10].[C:4](=[N:5][H:15])([H:13])[H:14].[C:6](=[O:7])([H:12])[H:16],"InChI=1S/C4H9NO2/c1-4(7)2-5-3-6/h3-4,7H,2H2,1H3,(H,5,6)/t4-/m1/s1","InChI=1S/C2H4O.CH3N.CH2O/c1-2-3;2*1-2/h2H,1H3;2H,1H2;1H2",64.16601,55.90325,
8728,[C:1]([C@@:2]([O:3][H:12])([C:4]([N:5]([C:6](=[O:7])[H:16])[H:15])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]([O:3][H:12])([O+:7]=[C:6]([N:5]([C-:4]([H:13])[H:14])[H:15])[H:16])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H9NO2/c1-4(7)2-5-3-6/h3-4,7H,2H2,1H3,(H,5,6)/t4-/m1/s1","InChI=1S/C4H9NO2/c1-4(6)7-3-5-2/h3-6H,2H2,1H3/t4-/m0/s1",74.51575,62.4534,
8729,[C:1]([C@@:2]([O:3][H:12])([C:4]([N:5]([C:6](=[O:7])[H:16])[H:15])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([O:3][H:12])[C:4]([H:13])([H:14])[N:5]([H:15])[C@:6]1([O:7][H:11])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C4H9NO2/c1-4(7)2-5-3-6/h3-4,7H,2H2,1H3,(H,5,6)/t4-/m1/s1","InChI=1S/C4H9NO2/c1-4(7)2-5-3(4)6/h3,5-7H,2H2,1H3/t3-,4+/m0/s1",89.3886,27.484809999999996,
8730,[C:1]([C@@:2]([O:3][H:12])([C:4]([N:5]([C:6](=[O:7])[H:16])[H:15])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[O:3][C@:6]([O:7][H:12])([H:16])[N:5]([H:15])[C:4]1([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C4H9NO2/c1-4(7)2-5-3-6/h3-4,7H,2H2,1H3,(H,5,6)/t4-/m1/s1","InChI=1S/C4H9NO2/c1-3-2-5-4(6)7-3/h3-6H,2H2,1H3/t3-,4-/m1/s1",37.912040000000005,15.94421,
8731,[C:1]([C@@:2]([O:3][H:12])([C:4]([N:5]([C:6](=[O:7])[H:16])[H:15])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]([O:3][H:12])([C:4]([N:5]=[C:6]=[O:7])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10].[H:15][H:16],"InChI=1S/C4H9NO2/c1-4(7)2-5-3-6/h3-4,7H,2H2,1H3,(H,5,6)/t4-/m1/s1","InChI=1S/C4H7NO2.H2/c1-4(7)2-5-3-6;/h4,7H,2H2,1H3;1H/t4-;/m1./s1",73.32044,19.140929999999997,
8732,[C:1]([C@@:2]([O:3][H:12])([C:4]([N:5]([C:6](=[O:7])[H:16])[H:15])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]([O:3][H:12])([C:6](=[O:7])[H:16])[H:11])([H:8])([H:9])[H:10].[C:4](=[N:5][H:15])([H:13])[H:14],"InChI=1S/C4H9NO2/c1-4(7)2-5-3-6/h3-4,7H,2H2,1H3,(H,5,6)/t4-/m1/s1","InChI=1S/C3H6O2.CH3N/c1-3(5)2-4;1-2/h2-3,5H,1H3;2H,1H2/t3-;/m1./s1",89.52238,35.76044,
8733,[C:1]([C@@:2]([O:3][H:12])([C:4]([N:5]([C:6](=[O:7])[H:16])[H:15])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1](=[C:2]([C:4]([N:5]([C:6](=[O:7])[H:16])[H:15])([H:13])[H:14])[H:11])([H:8])[H:9].[O:3]([H:10])[H:12],"InChI=1S/C4H9NO2/c1-4(7)2-5-3-6/h3-4,7H,2H2,1H3,(H,5,6)/t4-/m1/s1","InChI=1S/C4H7NO.H2O/c1-2-3-5-4-6;/h2,4H,1,3H2,(H,5,6);1H2",60.20166,18.110970000000002,"1,3_Insertion_ROR"
8734,[C:1]([C@@:2]([O:3][H:12])([C:4]([N:5]([C:6](=[O:7])[H:16])[H:15])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]([O:3][H:12])([C:4]([O:7]/[C:6](=[N:5]/[H:15])[H:16])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H9NO2/c1-4(7)2-5-3-6/h3-4,7H,2H2,1H3,(H,5,6)/t4-/m1/s1","InChI=1S/C4H9NO2/c1-4(6)2-7-3-5/h3-6H,2H2,1H3/b5-3+/t4-/m1/s1",59.102509999999995,17.383979999999998,ketoenol
8735,[C:1]([C@@:2]([O:3][H:12])([C:4]([N:5]([C:6](=[O:7])[H:16])[H:15])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C:4]([C@@:2]([O:3][H:12])([O:7]/[C:6](=[N:5]/[H:15])[H:16])[H:11])([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C4H9NO2/c1-4(7)2-5-3-6/h3-4,7H,2H2,1H3,(H,5,6)/t4-/m1/s1","InChI=1S/C4H9NO2/c1-2-4(6)7-3-5/h3-6H,2H2,1H3/b5-3+/t4-/m0/s1",82.66918000000001,15.90705,
8736,[C:1]([C@@:2]([O:3][H:12])([C:4]([N:5]([C:6](=[O:7])[H:16])[H:15])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([O:3][H:12])=[C:4]([H:13])[H:14])([H:8])([H:9])[H:10].[N:5](=[C:6](/[O:7][H:11])[H:16])\[H:15],"InChI=1S/C4H9NO2/c1-4(7)2-5-3-6/h3-4,7H,2H2,1H3,(H,5,6)/t4-/m1/s1","InChI=1S/C3H6O.CH3NO/c1-3(2)4;2-1-3/h4H,1H2,2H3;1H,(H2,2,3)",57.567519999999995,22.48305,Retroene
8737,[C:1]([C@@:2]([O:3][H:12])([C:4]([N:5]([C:6](=[O:7])[H:16])[H:15])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C-:6]#[O+:7].[C:1]([C@@:2]([O:3][H:12])([C:4]([N:5]([H:15])[H:16])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H9NO2/c1-4(7)2-5-3-6/h3-4,7H,2H2,1H3,(H,5,6)/t4-/m1/s1","InChI=1S/C3H9NO.CO/c1-3(5)2-4;1-2/h3,5H,2,4H2,1H3;/t3-;/m1./s1",77.09756,15.382010000000001,"1,2_Insertion_CO"
8738,[C:1]([C@@:2]([O:3][H:12])([C:4]([N:5]([C:6](=[O:7])[H:16])[H:15])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2](=[O:3])[C:4](/[N:5]=[C:6](\[O:7][H:12])[H:16])([H:13])[H:14])([H:8])([H:9])[H:10].[H:11][H:15],"InChI=1S/C4H9NO2/c1-4(7)2-5-3-6/h3-4,7H,2H2,1H3,(H,5,6)/t4-/m1/s1","InChI=1S/C4H7NO2.H2/c1-4(7)2-5-3-6;/h3H,2H2,1H3,(H,5,6);1H",53.34591999999999,25.33332,
8739,[C:1]([C@@:2]([O:3][H:12])([C:4]([N:5]([C:6](=[O:7])[H:16])[H:15])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1](=[C:2]([O:3][H:12])[H:11])([H:8])[H:9].[C:4](=[N:5][H:15])([H:13])[H:14].[C:6](=[O:7])([H:10])[H:16],"InChI=1S/C4H9NO2/c1-4(7)2-5-3-6/h3-4,7H,2H2,1H3,(H,5,6)/t4-/m1/s1","InChI=1S/C2H4O.CH3N.CH2O/c1-2-3;2*1-2/h2-3H,1H2;2H,1H2;1H2",79.26509,65.17926999999999,
8740,[C:1]([C@@:2]([O:3][H:12])([C:4]([N:5]([C:6](=[O:7])[H:16])[H:15])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]([O:3][H:12])([C-:4]([N:5]([C+:6]([O:7][H:13])[H:16])[H:15])[H:14])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H9NO2/c1-4(7)2-5-3-6/h3-4,7H,2H2,1H3,(H,5,6)/t4-/m1/s1","InChI=1S/C4H9NO2/c1-4(7)2-5-3-6/h2-7H,1H3/t4-/m1/s1",59.65525,48.2895,
8741,[C:1]([C@@:2]([O:3][H:12])([C:4]([N:5]([C:6](=[O:7])[H:16])[H:15])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]([O:3][H:12])([C-:4]([N+:5]([C:6](=[O:7])[H:16])([H:13])[H:15])[H:14])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H9NO2/c1-4(7)2-5-3-6/h3-4,7H,2H2,1H3,(H,5,6)/t4-/m1/s1","InChI=1S/C4H9NO2/c1-4(7)2-5-3-6/h2-4,7H,5H2,1H3/t4-/m1/s1",96.64466,80.69404,
8742,[C:1]([C@@:2]([O:3][H:12])([C:4]([N:5]([C:6](=[O:7])[H:16])[H:15])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2][C:4]([N:5]([C:6](=[O:7])[H:16])[H:15])([H:13])[H:14])([H:8])([H:9])[H:10].[O:3]([H:11])[H:12],"InChI=1S/C4H9NO2/c1-4(7)2-5-3-6/h3-4,7H,2H2,1H3,(H,5,6)/t4-/m1/s1","InChI=1S/C4H7NO.H2O/c1-2-3-5-4-6;/h4H,3H2,1H3,(H,5,6);1H2",70.29225,80.31013,
8743,[C:1]([C@@:2]([O:3][H:12])([C:4]([N:5]([C:6](=[O:7])[H:16])[H:15])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[O:3][C:6](=[O:7])[N:5]([H:15])[C:4]1([H:13])[H:14])([H:8])([H:9])[H:10].[H:12][H:16],"InChI=1S/C4H9NO2/c1-4(7)2-5-3-6/h3-4,7H,2H2,1H3,(H,5,6)/t4-/m1/s1","InChI=1S/C4H7NO2.H2/c1-3-2-5-4(6)7-3;/h3H,2H2,1H3,(H,5,6);1H/t3-;/m1./s1",70.14665,9.3252,
8744,[C:1]([C@@:2]([O:3][H:12])([C:4]([N:5]([C:6](=[O:7])[H:16])[H:15])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C@:2]1([H:11])[C:4]([H:13])([H:14])[N:5]1[H:15])([H:8])([H:9])[H:10].[O:3]([C:6](=[O:7])[H:16])[H:12],"InChI=1S/C4H9NO2/c1-4(7)2-5-3-6/h3-4,7H,2H2,1H3,(H,5,6)/t4-/m1/s1","InChI=1S/C3H7N.CH2O2/c1-3-2-4-3;2-1-3/h3-4H,2H2,1H3;1H,(H,2,3)/t3-;/m1./s1",78.99407,30.40617,
8745,[C:1]([C@@:2]([O:3][H:12])([C:4]([N:5]([C:6](=[O:7])[H:16])[H:15])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[O:3][C:4]1([H:13])[H:14])([H:8])([H:9])[H:10].[N:5](=[C:6](/[O:7][H:12])[H:16])\[H:15],"InChI=1S/C4H9NO2/c1-4(7)2-5-3-6/h3-4,7H,2H2,1H3,(H,5,6)/t4-/m1/s1","InChI=1S/C3H6O.CH3NO/c1-3-2-4-3;2-1-3/h3H,2H2,1H3;1H,(H2,2,3)/t3-;/m1./s1",66.64256,41.2215,
8746,[O:1]=[C:2]([C@@:3]1([H:9])[C@@:4]2([H:10])[C:5]([H:11])([H:12])[C:6]([H:13])([H:14])[N:7]12)[H:8],[O:1]1[C@@:2]2([H:8])[C@@:3]3([H:9])[C@:4]1([H:10])[C:5]([H:11])([H:12])[C:6]([H:13])([H:14])[N:7]23,"InChI=1S/C5H7NO/c7-3-5-4-1-2-6(4)5/h3-5H,1-2H2/t4-,5+,6?/m1/s1","InChI=1S/C5H7NO/c1-2-6-4-3(1)7-5(4)6/h3-5H,1-2H2/t3-,4+,5-,6?/m0/s1",41.211059999999996,2.6730400000000003,
8747,[O:1]=[C:2]([C@@:3]1([H:9])[C@@:4]2([H:10])[C:5]([H:11])([H:12])[C:6]([H:13])([H:14])[N:7]12)[H:8],[O:1]([C-:2]([C@@:3]1([H:9])[C+:4]2[C:5]([H:11])([H:12])[C:6]([H:13])([H:14])[N:7]12)[H:8])[H:10],"InChI=1S/C5H7NO/c7-3-5-4-1-2-6(4)5/h3-5H,1-2H2/t4-,5+,6?/m1/s1","InChI=1S/C5H7NO/c7-3-5-4-1-2-6(4)5/h3,5,7H,1-2H2/t5-,6?/m0/s1",90.00093000000001,61.2066,
8748,[O:1]=[C:2]([C@@:3]1([H:9])[C@@:4]2([H:10])[C:5]([H:11])([H:12])[C:6]([H:13])([H:14])[N:7]12)[H:8],[C:3]1([H:9])=[C:4]([H:10])[N:7]1[C:6]([C:5]([H:8])([H:11])[H:12])([H:13])[H:14].[O+:1]#[C-:2],"InChI=1S/C5H7NO/c7-3-5-4-1-2-6(4)5/h3-5H,1-2H2/t4-,5+,6?/m1/s1","InChI=1S/C4H7N.CO/c1-2-5-3-4-5;1-2/h3-4H,2H2,1H3;",71.6407,34.08115,
8749,[O:1]=[C:2]([C@@:3]1([H:9])[C@@:4]2([H:10])[C:5]([H:11])([H:12])[C:6]([H:13])([H:14])[N:7]12)[H:8],[O:1]1[C:2]([H:8])=[C:3]([H:9])[N:7]2[C:4]([H:10])([H:12])[C:5]1([H:11])[C:6]2([H:13])[H:14],"InChI=1S/C5H7NO/c7-3-5-4-1-2-6(4)5/h3-5H,1-2H2/t4-,5+,6?/m1/s1","InChI=1S/C5H7NO/c1-2-7-5-3-6(1)4-5/h1-2,5H,3-4H2",69.97707,0.8846,
8750,[O:1]=[C:2]([C@@:3]1([H:9])[C@@:4]2([H:10])[C:5]([H:11])([H:12])[C:6]([H:13])([H:14])[N:7]12)[H:8],[O:1]1[C:2]([H:8])=[C:3]([H:9])[C@@:4]2([H:10])[C:5]([H:11])([H:12])[C@:6]1([H:13])[N:7]2[H:14],"InChI=1S/C5H7NO/c7-3-5-4-1-2-6(4)5/h3-5H,1-2H2/t4-,5+,6?/m1/s1","InChI=1S/C5H7NO/c1-2-7-5-3-4(1)6-5/h1-2,4-6H,3H2/t4-,5+/m0/s1",56.99771,-7.96528,
8751,[O:1]=[C:2]([C@@:3]1([H:9])[C@@:4]2([H:10])[C:5]([H:11])([H:12])[C:6]([H:13])([H:14])[N:7]12)[H:8],[O:1]=[C:2]([C:5]([C:6]([N:7]1[C:3]([H:9])=[C:4]1[H:10])([H:13])[H:14])([H:11])[H:12])[H:8],"InChI=1S/C5H7NO/c7-3-5-4-1-2-6(4)5/h3-5H,1-2H2/t4-,5+,6?/m1/s1","InChI=1S/C5H7NO/c7-5-1-2-6-3-4-6/h3-5H,1-2H2",75.47469,34.32302,
8752,[O:1]=[C:2]([C@@:3]1([H:9])[C@@:4]2([H:10])[C:5]([H:11])([H:12])[C:6]([H:13])([H:14])[N:7]12)[H:8],[O:1]=[C:2](/[C:3](=[C:4](/[N:7]1[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])[H:10])[H:9])[H:8],"InChI=1S/C5H7NO/c7-3-5-4-1-2-6(4)5/h3-5H,1-2H2/t4-,5+,6?/m1/s1","InChI=1S/C5H7NO/c7-5-1-2-6-3-4-6/h1-2,5H,3-4H2/b2-1+",50.29453,-16.27754,
8753,[O:1]=[C:2]([C@@:3]1([H:9])[C@@:4]2([H:10])[C:5]([H:11])([H:12])[C:6]([H:13])([H:14])[N:7]12)[H:8],[O-:1][C:2](=[C:3]([N+:7]1=[C:4]([H:10])[C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])[H:9])[H:8],"InChI=1S/C5H7NO/c7-3-5-4-1-2-6(4)5/h3-5H,1-2H2/t4-,5+,6?/m1/s1","InChI=1S/C5H7NO/c7-5-4-6-2-1-3-6/h2,4-5H,1,3H2",27.05514,-11.183,
8754,[O:1]=[C:2]([C@@:3]1([H:9])[C@@:4]2([H:10])[C:5]([H:11])([H:12])[C:6]([H:13])([H:14])[N:7]12)[H:8],[O-:1][C:2](=[C:3]1[C@@:4]2([H:10])[C:5]([H:11])([H:12])[C:6]([H:13])([H:14])[N+:7]12[H:9])[H:8],"InChI=1S/C5H7NO/c7-3-5-4-1-2-6(4)5/h3-5H,1-2H2/t4-,5+,6?/m1/s1","InChI=1S/C5H7NO/c7-3-5-4-1-2-6(4)5/h3-4,7H,1-2H2/t4-,6?/m1/s1",51.04365,26.17004,
8755,[O:1]=[C:2]([C@@:3]1([H:9])[C@@:4]2([H:10])[C:5]([H:11])([H:12])[C:6]([H:13])([H:14])[N:7]12)[H:8],[C:3]1([H:9])=[N:7][C:6]([H:13])([H:14])[C:5]([H:11])([H:12])[C:4]1([H:8])[H:10].[O+:1]#[C-:2],"InChI=1S/C5H7NO/c7-3-5-4-1-2-6(4)5/h3-5H,1-2H2/t4-,5+,6?/m1/s1","InChI=1S/C4H7N.CO/c1-2-4-5-3-1;1-2/h3H,1-2,4H2;",40.36528,-42.06504,
8756,[O:1]=[C:2]([C@@:3]1([H:9])[C@@:4]2([H:10])[C:5]([H:11])([H:12])[C:6]([H:13])([H:14])[N:7]12)[H:8],[O:1]([C:2][C@@:3]1([H:9])[C@@:4]2([H:10])[C:5]([H:11])([H:12])[C:6]([H:13])([H:14])[N:7]12)[H:8],"InChI=1S/C5H7NO/c7-3-5-4-1-2-6(4)5/h3-5H,1-2H2/t4-,5+,6?/m1/s1","InChI=1S/C5H7NO/c7-3-5-4-1-2-6(4)5/h4-5,7H,1-2H2/t4-,5+,6?/m1/s1",80.96396999999999,55.37993,
8757,[O:1]=[C:2]([C@@:3]1([H:9])[C@@:4]2([H:10])[C:5]([H:11])([H:12])[C:6]([H:13])([H:14])[N:7]12)[H:8],[O:1]=[C:2]([C@@:3]1([H:9])[C-:4]2[C:5]([H:11])([H:12])[C:6]([H:13])([H:14])[N+:7]12[H:10])[H:8],"InChI=1S/C5H7NO/c7-3-5-4-1-2-6(4)5/h3-5H,1-2H2/t4-,5+,6?/m1/s1","InChI=1S/C5H7NO/c7-3-5-4-1-2-6(4)5/h3,5-6H,1-2H2/t5-/m0/s1",57.55351999999999,46.095490000000005,
8758,[O:1]=[C:2]([C@@:3]1([H:9])[C@@:4]2([H:10])[C:5]([H:11])([H:12])[C:6]([H:13])([H:14])[N:7]12)[H:8],[O+:1]1=[C:2]([H:8])[C@@:3]2([H:9])[C@@:4]([H:10])([C:5]([H:11])([H:12])[C:6]1([H:13])[H:14])[N-:7]2,"InChI=1S/C5H7NO/c7-3-5-4-1-2-6(4)5/h3-5H,1-2H2/t4-,5+,6?/m1/s1","InChI=1S/C5H7NO/c1-2-7-3-5-4(1)6-5/h3-5H,1-2H2/t4-,5+/m1/s1",47.978359999999995,21.10108,
8759,[O:1]=[C:2]([C@@:3]1([H:9])[C@@:4]2([H:10])[C:5]([H:11])([H:12])[C:6]([H:13])([H:14])[N:7]12)[H:8],[O:1]1[C@@:2]2([H:8])[C:3]([H:9])=[C:4]([H:10])[C:5]([H:11])([H:12])[C:6]([H:13])([H:14])[N:7]12,"InChI=1S/C5H7NO/c7-3-5-4-1-2-6(4)5/h3-5H,1-2H2/t4-,5+,6?/m1/s1","InChI=1S/C5H7NO/c1-2-4-6-5(3-1)7-6/h1,3,5H,2,4H2/t5-,6?/m0/s1",58.824130000000004,8.6777,
8760,[O:1]=[C:2]([C@@:3]1([H:9])[C@@:4]2([H:10])[C:5]([H:11])([H:12])[C:6]([H:13])([H:14])[N:7]12)[H:8],[O:1]1[C:2]([H:8])=[C:3]([H:9])[C@@:4]2([H:10])[C:5]([H:11])([H:12])[C:6]([H:13])([H:14])[N:7]12,"InChI=1S/C5H7NO/c7-3-5-4-1-2-6(4)5/h3-5H,1-2H2/t4-,5+,6?/m1/s1","InChI=1S/C5H7NO/c1-3-6-5(1)2-4-7-6/h2,4-5H,1,3H2/t5-/m1/s1",41.268240000000006,14.47047,ketoenol
8761,[O:1]=[C:2]([C@@:3]1([H:9])[C@@:4]2([H:10])[C:5]([H:11])([H:12])[C:6]([H:13])([H:14])[N:7]12)[H:8],[O:1](/[C:2](=[C:3]1\[C@@:4]2([H:10])[C:5]([H:11])([H:12])[C:6]([H:13])([H:14])[N:7]12)[H:8])[H:9],"InChI=1S/C5H7NO/c7-3-5-4-1-2-6(4)5/h3-5H,1-2H2/t4-,5+,6?/m1/s1","InChI=1S/C5H7NO/c7-3-5-4-1-2-6(4)5/h3-4,7H,1-2H2/b5-3+/t4-,6?/m1/s1",62.78986,13.36708,ketoenol
8762,[O:1]=[C:2]([C@@:3]1([H:9])[C@@:4]2([H:10])[C:5]([H:11])([H:12])[C:6]([H:13])([H:14])[N:7]12)[H:8],[O:1]([C@:2]1([H:8])[C@@:3]2([H:9])[C@@:4]3([H:10])[C:5]([H:11])([H:12])[C@:6]1([H:14])[N:7]23)[H:13],"InChI=1S/C5H7NO/c7-3-5-4-1-2-6(4)5/h3-5H,1-2H2/t4-,5+,6?/m1/s1","InChI=1S/C5H7NO/c7-5-3-1-2-4(5)6(2)3/h2-5,7H,1H2/t2-,3+,4-,5+,6?/m1/s1",73.86179,11.28541,
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8789,[C:1]([O:2][C@@:3]1([H:11])[C:4]([H:12])([H:13])[O:5][C@:6]1([C:7]([H:15])([H:16])[H:17])[H:14])([H:8])([H:9])[H:10],[C:1]([O:2][H:17])([H:8])([H:9])[H:10].[C@:3]12([H:11])[C:4]([H:12])([H:13])[O:5][C@@:6]1([H:14])[C:7]2([H:15])[H:16],"InChI=1S/C5H10O2/c1-4-5(6-2)3-7-4/h4-5H,3H2,1-2H3/t4-,5-/m0/s1","InChI=1S/C4H6O.CH4O/c1-3-2-5-4(1)3;1-2/h3-4H,1-2H2;2H,1H3/t3-,4-;/m0./s1",89.02096,30.68422,
8790,[C:1]([O:2][C@@:3]1([H:11])[C:4]([H:12])([H:13])[O:5][C@:6]1([C:7]([H:15])([H:16])[H:17])[H:14])([H:8])([H:9])[H:10],[C:1]([O:2][C@:4]1([H:12])[C:3]([H:11])([H:13])[C@@:6]([C:7]([H:15])([H:16])[H:17])([H:14])[O:5]1)([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-4-5(6-2)3-7-4/h4-5H,3H2,1-2H3/t4-,5-/m0/s1","InChI=1S/C5H10O2/c1-4-3-5(6-2)7-4/h4-5H,3H2,1-2H3/t4-,5-/m0/s1",89.07970999999999,-7.34767,
8791,[C:1]([O:2][C@@:3]1([H:11])[C:4]([H:12])([H:13])[O:5][C@:6]1([C:7]([H:15])([H:16])[H:17])[H:14])([H:8])([H:9])[H:10],[C:1]([O:5][C:4]([C@:3]([O-:2])([C+:6]([C:7]([H:15])([H:16])[H:17])[H:14])[H:11])([H:12])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-4-5(6-2)3-7-4/h4-5H,3H2,1-2H3/t4-,5-/m0/s1","InChI=1S/C5H10O2/c1-3-5(6)4-7-2/h3,5H,4H2,1-2H3/t5-/m1/s1",74.05541,57.90374,
8792,[C:1]([O:2][C@@:3]1([H:11])[C:4]([H:12])([H:13])[O:5][C@:6]1([C:7]([H:15])([H:16])[H:17])[H:14])([H:8])([H:9])[H:10],[C:1]([O:2][C@@:6]1([C:7]([H:15])([H:16])[H:17])[C:3]([H:11])([H:14])[C:4]([H:12])([H:13])[O:5]1)([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-4-5(6-2)3-7-4/h4-5H,3H2,1-2H3/t4-,5-/m0/s1","InChI=1S/C5H10O2/c1-5(6-2)3-4-7-5/h3-4H2,1-2H3/t5-/m1/s1",84.9285,-8.95275,
8793,[C:1]([O:2][C@@:3]1([H:11])[C:4]([H:12])([H:13])[O:5][C@:6]1([C:7]([H:15])([H:16])[H:17])[H:14])([H:8])([H:9])[H:10],[C:1]([O:2][C:4]([C@@:3]1([H:11])[O:5][C@:6]1([C:7]([H:15])([H:16])[H:17])[H:14])([H:12])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-4-5(6-2)3-7-4/h4-5H,3H2,1-2H3/t4-,5-/m0/s1","InChI=1S/C5H10O2/c1-4-5(7-4)3-6-2/h4-5H,3H2,1-2H3/t4-,5+/m0/s1",63.8103,2.96522,
8794,[C:1]([O:2][C@@:3]1([H:11])[C:4]([H:12])([H:13])[O:5][C@:6]1([C:7]([H:15])([H:16])[H:17])[H:14])([H:8])([H:9])[H:10],[C:1]([O:2][H:12])([H:8])([H:9])[H:10].[C:3]1([H:11])=[C:4]([H:13])[O:5][C@:6]1([C:7]([H:15])([H:16])[H:17])[H:14],"InChI=1S/C5H10O2/c1-4-5(6-2)3-7-4/h4-5H,3H2,1-2H3/t4-,5-/m0/s1","InChI=1S/C4H6O.CH4O/c1-4-2-3-5-4;1-2/h2-4H,1H3;2H,1H3/t4-;/m0./s1",66.69691999999999,16.97116,"1,3_Insertion_ROR"
8795,[C:1]([O:2][C@@:3]1([H:11])[C:4]([H:12])([H:13])[O:5][C@:6]1([C:7]([H:15])([H:16])[H:17])[H:14])([H:8])([H:9])[H:10],[C:1]([O+:2]=[C-:3][C:4]([O:5][C:6]([C:7]([H:15])([H:16])[H:17])([H:11])[H:14])([H:12])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-4-5(6-2)3-7-4/h4-5H,3H2,1-2H3/t4-,5-/m0/s1","InChI=1S/C5H10O2/c1-3-7-5-4-6-2/h3,5H2,1-2H3",60.194630000000004,44.537729999999996,
8796,[C:1]([O:2][C@@:3]1([H:11])[C:4]([H:12])([H:13])[O:5][C@:6]1([C:7]([H:15])([H:16])[H:17])[H:14])([H:8])([H:9])[H:10],[C:1]([O:2][C@@:3]([C:4][H:12])([C@@:6]([O:5][H:13])([C:7]([H:15])([H:16])[H:17])[H:14])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-4-5(6-2)3-7-4/h4-5H,3H2,1-2H3/t4-,5-/m0/s1","InChI=1S/C5H10O2/c1-4(6)5(2)7-3/h2,4-6H,1,3H3/t4-,5-/m0/s1",71.31425,70.4541,
8797,[C:1]([O:2][C@@:3]1([H:11])[C:4]([H:12])([H:13])[O:5][C@:6]1([C:7]([H:15])([H:16])[H:17])[H:14])([H:8])([H:9])[H:10],[C:1]([O:2][C@@:3]1([H:11])[C-:4]([H:12])[O+:5]=[C:6]1[C:7]([H:15])([H:16])[H:17])([H:8])([H:9])[H:10].[H:13][H:14],"InChI=1S/C5H10O2/c1-4-5(6-2)3-7-4/h4-5H,3H2,1-2H3/t4-,5-/m0/s1","InChI=1S/C5H8O2.H2/c1-4-5(6-2)3-7-4;/h3,5H,1-2H3;1H/t5-;/m0./s1",82.6461,81.66462,
8798,[C:1]([O:2][C@@:3]1([H:11])[C:4]([H:12])([H:13])[O:5][C@:6]1([C:7]([H:15])([H:16])[H:17])[H:14])([H:8])([H:9])[H:10],[C:1]([O:2][C:7]([H:15])([H:16])[H:17])([H:8])([H:9])[H:10].[C:3]1([H:11])=[C:6]([H:14])[O:5][C:4]1([H:12])[H:13],"InChI=1S/C5H10O2/c1-4-5(6-2)3-7-4/h4-5H,3H2,1-2H3/t4-,5-/m0/s1","InChI=1S/C3H4O.C2H6O/c1-2-4-3-1;1-3-2/h1-2H,3H2;1-2H3",98.83648000000001,31.51169,
8799,[C:1]([O:2][C@@:3]1([H:11])[C:4]([H:12])([H:13])[O:5][C@:6]1([C:7]([H:15])([H:16])[H:17])[H:14])([H:8])([H:9])[H:10],[C:1]([O:2][C@@:3]([C:4]([O:5][C:7]([H:15])([H:16])[H:17])([H:12])[H:13])([C:6][H:14])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-4-5(6-2)3-7-4/h4-5H,3H2,1-2H3/t4-,5-/m0/s1","InChI=1S/C5H10O2/c1-5(7-3)4-6-2/h1,5H,4H2,2-3H3/t5-/m1/s1",110.23405,85.8777,
8800,[C:1]([O:2][C@@:3]1([H:11])[C:4]([H:12])([H:13])[O:5][C@:6]1([C:7]([H:15])([H:16])[H:17])[H:14])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]1=[C:6]([C:7]([H:15])([H:16])[H:17])[O:5][C:4]1([H:12])[H:13])([H:8])([H:9])[H:10].[H:11][H:14],"InChI=1S/C5H10O2/c1-4-5(6-2)3-7-4/h4-5H,3H2,1-2H3/t4-,5-/m0/s1","InChI=1S/C5H8O2.H2/c1-4-5(6-2)3-7-4;/h3H2,1-2H3;1H",103.88583,30.8005,
8801,[C:1]([O:2][C@@:3]1([H:11])[C:4]([H:12])([H:13])[O:5][C@:6]1([C:7]([H:15])([H:16])[H:17])[H:14])([H:8])([H:9])[H:10],[C:1]([O:2][C@@:3]([C:4]([O:5][H:14])([H:12])[H:13])([C:6][C:7]([H:15])([H:16])[H:17])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-4-5(6-2)3-7-4/h4-5H,3H2,1-2H3/t4-,5-/m0/s1","InChI=1S/C5H10O2/c1-3-5(4-6)7-2/h5-6H,4H2,1-2H3/t5-/m1/s1",65.57396999999999,64.61338,
8802,[C:1]([O:2][C@@:3]1([H:11])[C:4]([H:12])([H:13])[O:5][C@:6]1([C:7]([H:15])([H:16])[H:17])[H:14])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]([C@@:6]([O+:5]=[C-:4][H:12])([C:7]([H:15])([H:16])[H:17])[H:14])([H:11])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-4-5(6-2)3-7-4/h4-5H,3H2,1-2H3/t4-,5-/m0/s1","InChI=1S/C5H10O2/c1-5(7-3)4-6-2/h3,5H,4H2,1-2H3/t5-/m0/s1",74.92664,50.12488,
8803,[C:1]([O:2][C@@:3]1([H:11])[C:4]([H:12])([H:13])[O:5][C@:6]1([C:7]([H:15])([H:16])[H:17])[H:14])([H:8])([H:9])[H:10],[C:1]([O:2][C@@:3]1([H:11])[C:4]([H:12])([H:13])[O:5][C:6]1=[C:7]([H:15])[H:17])([H:8])([H:9])[H:10].[H:14][H:16],"InChI=1S/C5H10O2/c1-4-5(6-2)3-7-4/h4-5H,3H2,1-2H3/t4-,5-/m0/s1","InChI=1S/C5H8O2.H2/c1-4-5(6-2)3-7-4;/h5H,1,3H2,2H3;1H/t5-;/m0./s1",102.89692,26.61605,
8804,[C:1]([O:2][C@@:3]1([H:11])[C:4]([H:12])([H:13])[O:5][C@:6]1([C:7]([H:15])([H:16])[H:17])[H:14])([H:8])([H:9])[H:10],[C:1]([O:2][C:3](=[C:4]([H:12])[H:13])[H:11])([H:8])([H:9])[H:10].[O:5]=[C:6]([C:7]([H:15])([H:16])[H:17])[H:14],"InChI=1S/C5H10O2/c1-4-5(6-2)3-7-4/h4-5H,3H2,1-2H3/t4-,5-/m0/s1","InChI=1S/C3H6O.C2H4O/c1-3-4-2;1-2-3/h3H,1H2,2H3;2H,1H3",54.716609999999996,-4.45249,2+2_cycloaddition
8805,[C:1]([O:2][C@@:3]1([H:11])[C:4]([H:12])([H:13])[O:5][C@:6]1([C:7]([H:15])([H:16])[H:17])[H:14])([H:8])([H:9])[H:10],[C:1]([O:2][C@@:3]1([H:11])[C-:4]=[O+:5][C@:6]1([C:7]([H:15])([H:16])[H:17])[H:14])([H:8])([H:9])[H:10].[H:12][H:13],"InChI=1S/C5H10O2/c1-4-5(6-2)3-7-4/h4-5H,3H2,1-2H3/t4-,5-/m0/s1","InChI=1S/C5H8O2.H2/c1-4-5(6-2)3-7-4;/h4-5H,1-2H3;1H/t4-,5-;/m0./s1",76.36589000000001,71.588,
8806,[C:1]([O:2][C@@:3]1([H:11])[C:4]([H:12])([H:13])[O:5][C@:6]1([C:7]([H:15])([H:16])[H:17])[H:14])([H:8])([H:9])[H:10],[C:1]([O:2][C@@:3]([C:4]([O:5][H:16])([H:12])[H:13])([C:6](=[C:7]([H:15])[H:17])[H:14])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-4-5(6-2)3-7-4/h4-5H,3H2,1-2H3/t4-,5-/m0/s1","InChI=1S/C5H10O2/c1-3-5(4-6)7-2/h3,5-6H,1,4H2,2H3/t5-/m1/s1",54.37931999999999,-5.3595,
8807,[C:1]([O:2][C@@:3]1([H:11])[C:4]([H:12])([H:13])[O:5][C@:6]1([C:7]([H:15])([H:16])[H:17])[H:14])([H:8])([H:9])[H:10],[C-:1]([O+:2]=[C:3]1[C:4]([H:12])([H:13])[O:5][C@:6]1([C:7]([H:15])([H:16])[H:17])[H:14])([H:9])[H:10].[H:8][H:11],"InChI=1S/C5H10O2/c1-4-5(6-2)3-7-4/h4-5H,3H2,1-2H3/t4-,5-/m0/s1","InChI=1S/C5H8O2.H2/c1-4-5(6-2)3-7-4;/h4H,2-3H2,1H3;1H/t4-;/m0./s1",68.23676,73.9821,
8808,[C:1]([O:2][C@@:3]1([H:11])[C:4]([H:12])([H:13])[O:5][C@:6]1([C:7]([H:15])([H:16])[H:17])[H:14])([H:8])([H:9])[H:10],[C:1]([O:2][C@@:3]1([H:11])[C:4]([H:12])([H:13])[O+:5]=[C-:6]1)([H:8])([H:9])[H:10].[C:7]([H:14])([H:15])([H:16])[H:17],"InChI=1S/C5H10O2/c1-4-5(6-2)3-7-4/h4-5H,3H2,1-2H3/t4-,5-/m0/s1","InChI=1S/C4H6O2.CH4/c1-5-4-2-6-3-4;/h4H,2H2,1H3;1H4/t4-;/m0./s1",75.6714,64.7404,
8809,[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])[O:4][C@:5]1([H:13])[C:6]([H:14])=[C:7]2[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C-:3]=[C:7]([H:15])[C+:6]([H:14])[C@:5]1([O:4][H:12])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-4-5-2-3-6(4)7-5/h2-6H,1H3/t4-,5-,6+","InChI=1S/C6H8O/c1-5-3-2-4-6(5)7/h2,4-7H,1H3/t5-,6+/m0/s1",59.36963000000001,25.08919,
8810,[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])[O:4][C@:5]1([H:13])[C:6]([H:14])=[C:7]2[H:15])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:3]1([H:12])[O+:4]=[C-:5][C:6]([H:14])=[C:7]1[H:15])([H:11])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-4-5-2-3-6(4)7-5/h2-6H,1H3/t4-,5-,6+","InChI=1S/C6H8O/c1-2-6-4-3-5-7-6/h3-4,6H,2H2,1H3/t6-/m1/s1",57.721790000000006,3.5269,
8811,[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])[O:4][C@:5]1([H:13])[C:6]([H:14])=[C:7]2[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C-:3]=[O+:4][C@@:5]1([C:6](=[C:7]([H:12])[H:15])[H:14])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-4-5-2-3-6(4)7-5/h2-6H,1H3/t4-,5-,6+","InChI=1S/C6H8O/c1-3-6-5(2)4-7-6/h3,5-6H,1H2,2H3/t5-,6+/m0/s1",56.616580000000006,29.532459999999997,
8812,[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])[O:4][C@:5]1([H:13])[C:6]([H:14])=[C:7]2[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])[O:4][C@@:7]2([H:15])[C:6]([H:14])=[C:5]1[H:13])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-4-5-2-3-6(4)7-5/h2-6H,1H3/t4-,5-,6+","InChI=1S/C6H8O/c1-4-2-3-5-6(4)7-5/h2-6H,1H3/t4-,5+,6-/m1/s1",25.681639999999998,-23.58523,
8813,[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])[O:4][C@:5]1([H:13])[C:6]([H:14])=[C:7]2[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])[O:4][C@:5]1([H:13])[C:6][C:7]2([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-4-5-2-3-6(4)7-5/h2-6H,1H3/t4-,5-,6+","InChI=1S/C6H8O/c1-4-5-2-3-6(4)7-5/h4-6H,2H2,1H3/t4-,5-,6+/m0/s1",64.7576,58.96762,Singlet_Carbene_Intra_Disproportionation
8814,[C:1]([C@@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1](=[C:2]1[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]1=[O:7])([H:9])[H:10].[O:3]([H:8])[H:11],"InChI=1S/C5H8O2/c1-5(7)3-2-4(5)6/h7H,2-3H2,1H3/t5-/m1/s1",InChI=1S/C5H6O.H2O/c1-4-2-3-5(4)6;/h1-3H2;1H2,59.30608,12.92653,"1,3_Insertion_ROR"
8815,[C:1]([C@@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C:5]([H:15])=[C:6]1[O:7][H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-5(7)3-2-4(5)6/h7H,2-3H2,1H3/t5-/m1/s1","InChI=1S/C5H8O2/c1-5(7)3-2-4(5)6/h2,6-7H,3H2,1H3/t5-/m1/s1",75.89992,12.89012,ketoenol
8816,[C:1]([C@@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([C:2]([O:3][H:11])=[C:6]=[O:7])([H:8])([H:9])[H:10].[C:4](=[C:5]([H:14])[H:15])([H:12])[H:13],"InChI=1S/C5H8O2/c1-5(7)3-2-4(5)6/h7H,2-3H2,1H3/t5-/m1/s1","InChI=1S/C3H4O2.C2H4/c1-3(5)2-4;1-2/h5H,1H3;1-2H2",41.67165,32.3138,
8817,[C:1]([C@@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C@@:5]1([C:6](=[O:7])[H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-5(7)3-2-4(5)6/h7H,2-3H2,1H3/t5-/m1/s1","InChI=1S/C5H8O2/c1-5(7)2-4(5)3-6/h3-4,7H,2H2,1H3/t4-,5-/m1/s1",65.42305,5.93225,
8818,[C:1]([C@@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1](/[C:2]([O:3][H:11])=[C:4](\[C:5]([C:6](=[O:7])[H:13])([H:14])[H:15])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-5(7)3-2-4(5)6/h7H,2-3H2,1H3/t5-/m1/s1","InChI=1S/C5H8O2/c1-5(7)3-2-4-6/h3-4,7H,2H2,1H3/b5-3+",86.03963,-3.0007200000000003,
8819,[C:1]([C@@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([C:2][C:4]([C:5]([C:6]([O:3][H:11])=[O:7])([H:14])[H:15])([H:12])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-5(7)3-2-4(5)6/h7H,2-3H2,1H3/t5-/m1/s1","InChI=1S/C5H8O2/c1-2-3-4-5(6)7/h3-4H2,1H3,(H,6,7)",53.25666999999999,52.0395,
8820,[C:1]([C@@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([C:2]([O:3][H:11])=[C:4]([H:12])[H:13])([H:8])([H:9])[H:10].[C:5](=[C:6]=[O:7])([H:14])[H:15],"InChI=1S/C5H8O2/c1-5(7)3-2-4(5)6/h7H,2-3H2,1H3/t5-/m1/s1","InChI=1S/C3H6O.C2H2O/c1-3(2)4;1-2-3/h4H,1H2,2H3;1H2",37.95447,14.399779999999998,
8821,[C:1]([C@@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:4]([H:13])[C:5]([H:14])([H:15])[C:6]1=[O:7])([H:8])([H:9])[H:10].[O:3]([H:11])[H:12],"InChI=1S/C5H8O2/c1-5(7)3-2-4(5)6/h7H,2-3H2,1H3/t5-/m1/s1","InChI=1S/C5H6O.H2O/c1-4-2-3-5(4)6;/h2H,3H2,1H3;1H2",62.80086,12.58474,"1,3_Insertion_ROR"
8822,[C:1]([C@@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C-:6]#[O+:7].[C:1]([C:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C:5]1([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-5(7)3-2-4(5)6/h7H,2-3H2,1H3/t5-/m1/s1","InChI=1S/C4H8O.CO/c1-4(5)2-3-4;1-2/h5H,2-3H2,1H3;",66.09889,9.2555,
8823,[C:1]([C@@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([C:2]1([C:6]([O:3][H:11])=[O:7])[C:4]([H:12])([H:13])[C:5]1([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-5(7)3-2-4(5)6/h7H,2-3H2,1H3/t5-/m1/s1","InChI=1S/C5H8O2/c1-5(2-3-5)4(6)7/h2-3H2,1H3,(H,6,7)",61.61115,-19.36496,
8824,[C:1]([C@@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([C:2]([O:3][H:11])([C:4]([H:12])([H:13])[H:15])[C:6](=[C+:5][H:14])[O-:7])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-5(7)3-2-4(5)6/h7H,2-3H2,1H3/t5-/m1/s1","InChI=1S/C5H8O2/c1-4(6)5(2,3)7/h1,7H,2-3H3",66.36762,64.73924,
8825,[C:1]([C@@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([C:6]([C:5]([C:4]([C:2][O:3][H:11])([H:12])[H:13])([H:14])[H:15])=[O:7])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-5(7)3-2-4(5)6/h7H,2-3H2,1H3/t5-/m1/s1","InChI=1S/C5H8O2/c1-5(7)3-2-4-6/h6H,2-3H2,1H3",57.90192,45.42756,
8826,[C:1]([C@@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([C:2](=[O:3])[C:4]([C:5]([C:6](=[O:7])[H:11])([H:14])[H:15])([H:12])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-5(7)3-2-4(5)6/h7H,2-3H2,1H3/t5-/m1/s1","InChI=1S/C5H8O2/c1-5(7)3-2-4-6/h4H,2-3H2,1H3",53.68895,-11.08056,
8827,[C:1]([C@@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1](=[C:2]([O:3][H:11])[C@:4]1([H:13])[C:5]([H:14])([H:15])[C:6]1=[O:7])([H:9])[H:10].[H:8][H:12],"InChI=1S/C5H8O2/c1-5(7)3-2-4(5)6/h7H,2-3H2,1H3/t5-/m1/s1","InChI=1S/C5H6O2.H2/c1-3(6)4-2-5(4)7;/h4,6H,1-2H2;1H/t4-;/m0./s1",103.56772,42.48552,
8828,[C:1]([C@@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([C:6](=[C:5]([H:14])[H:15])[O:7][H:11])[O:3][C:4]1([H:12])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-5(7)3-2-4(5)6/h7H,2-3H2,1H3/t5-/m1/s1","InChI=1S/C5H8O2/c1-4(6)5(2)3-7-5/h6H,1,3H2,2H3/t5-/m1/s1",56.16535,13.927270000000002,
8829,[C:1]([C@@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([C:2](=[O:3])[C:6]([C:5]([C:4]([H:11])([H:12])[H:13])([H:14])[H:15])=[O:7])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-5(7)3-2-4(5)6/h7H,2-3H2,1H3/t5-/m1/s1","InChI=1S/C5H8O2/c1-3-5(7)4(2)6/h3H2,1-2H3",39.64673,-14.08826,
8830,[C:1]([C@@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([O:7][C:6]1=[C:2]([O:3][H:11])[C:4]([H:12])([H:13])[C:5]1([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-5(7)3-2-4(5)6/h7H,2-3H2,1H3/t5-/m1/s1","InChI=1S/C5H8O2/c1-7-5-3-2-4(5)6/h6H,2-3H2,1H3",84.5546,24.53067,ketoenol
8831,[C:1]([C@@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([O:3][H:11])[C:4]([H:13])=[C:5]([H:15])[C:6]1=[O:7])([H:8])([H:9])[H:10].[H:12][H:14],"InChI=1S/C5H8O2/c1-5(7)3-2-4(5)6/h7H,2-3H2,1H3/t5-/m1/s1","InChI=1S/C5H6O2.H2/c1-5(7)3-2-4(5)6;/h2-3,7H,1H3;1H/t5-;/m1./s1",89.40718000000001,31.99645,
8832,[C:1]([c:2]1[c:3]([H:11])[n:4][c:5]([N:6]([H:12])[H:13])[o:7]1)([H:8])([H:9])[H:10],[C:1](=[C:2](/[C:3](=[N:4]\[C:5]([N:6]([H:12])[H:13])=[O:7])[H:11])[H:9])([H:8])[H:10],"InChI=1S/C4H6N2O/c1-3-2-6-4(5)7-3/h2H,1H3,(H2,5,6)","InChI=1S/C4H6N2O/c1-2-3-6-4(5)7/h2-3H,1H2,(H2,5,7)/b6-3-",68.27826999999999,5.54911,
8833,[C:1]([c:2]1[c:3]([H:11])[n:4][c:5]([N:6]([H:12])[H:13])[o:7]1)([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]=[N:4][C:5]([N:6]([H:12])[H:13])=[O:7])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-3-2-6-4(5)7-3/h2H,1H3,(H2,5,6)","InChI=1S/C4H6N2O/c1-2-3-6-4(5)7/h2H,1H3,(H2,5,7)",61.23956999999999,11.1524,
8834,[C:1]([c:2]1[c:3]([H:11])[n:4][c:5]([N:6]([H:12])[H:13])[o:7]1)([H:8])([H:9])[H:10],[C:1]([c:2]1[c-:3][n:4]([H:11])[c:5]([N:6]([H:12])[H:13])[o+:7]1)([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-3-2-6-4(5)7-3/h2H,1H3,(H2,5,6)","InChI=1S/C4H6N2O/c1-3-2-6-4(5)7-3/h6H,5H2,1H3",82.96155,50.544109999999996,
8835,[C:1]([c:2]1[c:3]([H:11])[n:4][c:5]([N:6]([H:12])[H:13])[o:7]1)([H:8])([H:9])[H:10],[C:1]([C:2]([C@:3]1([H:11])[N:4]=[C:5]1[N:6]([H:12])[H:13])=[O:7])([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-3-2-6-4(5)7-3/h2H,1H3,(H2,5,6)","InChI=1S/C4H6N2O/c1-2(7)3-4(5)6-3/h3H,1H3,(H2,5,6)/t3-/m0/s1",60.13426,33.10053,ketoenol
8836,[C:1]([c:2]1[c:3]([H:11])[n:4][c:5]([N:6]([H:12])[H:13])[o:7]1)([H:8])([H:9])[H:10],[C:1]([C@@:2]12[C:3]([H:11])=[N:4][C@:5]1([N:6]([H:12])[H:13])[O:7]2)([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-3-2-6-4(5)7-3/h2H,1H3,(H2,5,6)","InChI=1S/C4H6N2O/c1-3-2-6-4(3,5)7-3/h2H,5H2,1H3/t3-,4+/m1/s1",83.39409,72.92546999999999,
8837,[C:1]([c:2]1[c:3]([H:11])[n:4][c:5]([N:6]([H:12])[H:13])[o:7]1)([H:8])([H:9])[H:10],[C:1](=[C:2]1[C:3]([H:9])([H:11])[N:4]=[C:5]([N:6]([H:12])[H:13])[O:7]1)([H:8])[H:10],"InChI=1S/C4H6N2O/c1-3-2-6-4(5)7-3/h2H,1H3,(H2,5,6)","InChI=1S/C4H6N2O/c1-3-2-6-4(5)7-3/h1-2H2,(H2,5,6)",74.73743,11.42528,
8838,[C:1]([c:2]1[c:3]([H:11])[n:4][c:5]([N:6]([H:12])[H:13])[o:7]1)([H:8])([H:9])[H:10],[C:1]([c:2]1[c:3]([H:11])[n:4]([H:12])/[c:5](=[N:6]/[H:13])[o:7]1)([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-3-2-6-4(5)7-3/h2H,1H3,(H2,5,6)","InChI=1S/C4H6N2O/c1-3-2-6-4(5)7-3/h2H,1H3,(H2,5,6)",52.55425,7.08621,
8839,[C:1]([c:2]1[c:3]([H:11])[n:4][c:5]([N:6]([H:12])[H:13])[o:7]1)([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:12])[C:3]([H:11])=[N:4]/[C:5](=[N:6]\[H:13])[O:7]1)([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-3-2-6-4(5)7-3/h2H,1H3,(H2,5,6)","InChI=1S/C4H6N2O/c1-3-2-6-4(5)7-3/h2-3,5H,1H3/b5-4+/t3-/m0/s1",87.69462,11.55069,
8840,[C:1]([c:2]1[c:3]([H:11])[n:4][c:5]([N:6]([H:12])[H:13])[o:7]1)([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:3]([H:11])[N:4]1[C:5]([N:6]([H:12])[H:13])=[O:7])([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-3-2-6-4(5)7-3/h2H,1H3,(H2,5,6)","InChI=1S/C4H6N2O/c1-3-2-6(3)4(5)7/h2H,1H3,(H2,5,7)",63.2444,57.16976999999999,ketoenol
8841,[C:1]([c:2]1[c:3]([H:11])[n:4][c:5]([N:6]([H:12])[H:13])[o:7]1)([H:8])([H:9])[H:10],[C:1]([C@:2]1([N:6]([H:12])[H:13])[C:3]([H:11])=[N+:4]=[C-:5][O:7]1)([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-3-2-6-4(5)7-3/h2H,1H3,(H2,5,6)","InChI=1S/C4H6N2O/c1-4(5)2-6-3-7-4/h2H,5H2,1H3/t4-/m1/s1",111.49675,67.96013,
8842,[C:1]([c:2]1[c:3]([H:11])[n:4][c:5]([N:6]([H:12])[H:13])[o:7]1)([H:8])([H:9])[H:10],[C:1]([C:2]([C@:3]([N+:4]#[C-:5])([N:6]([H:12])[H:13])[H:11])=[O:7])([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-3-2-6-4(5)7-3/h2H,1H3,(H2,5,6)","InChI=1S/C4H6N2O/c1-3(7)4(5)6-2/h4H,5H2,1H3/t4-/m0/s1",96.81591999999999,37.45978,
8843,[C:1]([c:2]1[c:3]([H:11])[n:4][c:5]([N:6]([H:12])[H:13])[o:7]1)([H:8])([H:9])[H:10],[C:1]([C:2]#[C:3][H:11])([H:8])([H:9])[H:10].[N:4](=[C:5]=[O:7])[N:6]([H:12])[H:13],"InChI=1S/C4H6N2O/c1-3-2-6-4(5)7-3/h2H,1H3,(H2,5,6)","InChI=1S/C3H4.CH2N2O/c1-3-2;2-3-1-4/h1H,2H3;2H2",93.03256,71.24073,
8844,[C:1]([c:2]1[c:3]([H:11])[n:4][c:5]([N:6]([H:12])[H:13])[o:7]1)([H:8])([H:9])[H:10],[C:1]([C:3](=[C:2]=[O:7])[H:11])([H:8])([H:9])[H:10].[N:4]#[C:5][N:6]([H:12])[H:13],"InChI=1S/C4H6N2O/c1-3-2-6-4(5)7-3/h2H,1H3,(H2,5,6)","InChI=1S/C3H4O.CH2N2/c1-2-3-4;2-1-3/h2H,1H3;2H2",81.23204,32.98106,
8845,[C:1]([c:2]1[c:3]([H:11])[n:4][c:5]([N:6]([H:12])[H:13])[o:7]1)([H:8])([H:9])[H:10],[C:1]([C@@:3]1([H:11])[C-:2]=[O+:7][C:5]([N:6]([H:12])[H:13])=[N:4]1)([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-3-2-6-4(5)7-3/h2H,1H3,(H2,5,6)","InChI=1S/C4H6N2O/c1-3-2-7-4(5)6-3/h3H,1H3,(H2,5,6)/t3-/m0/s1",71.0826,55.25205,
8846,[C:1]([c:2]1[c:3]([H:11])[n:4][c:5]([N:6]([H:12])[H:13])[o:7]1)([H:8])([H:9])[H:10],[C:1]([C-:2]=[O+:7][C:5][N:6]([H:12])[H:13])([H:8])([H:9])[H:10].[C:3](#[N:4])[H:11],"InChI=1S/C4H6N2O/c1-3-2-6-4(5)7-3/h2H,1H3,(H2,5,6)","InChI=1S/C3H5NO.CHN/c1-2-5-3-4;1-2/h4H2,1H3;1H",116.75355,62.519819999999996,
8847,[C:1]([c:2]1[c:3]([H:11])[n:4][c:5]([N:6]([H:12])[H:13])[o:7]1)([H:8])([H:9])[H:10],[C:1]([C:2](/[C:3](=[N:4]\[C:5]#[N:6])[H:11])=[O:7])([H:8])([H:9])[H:10].[H:12][H:13],"InChI=1S/C4H6N2O/c1-3-2-6-4(5)7-3/h2H,1H3,(H2,5,6)","InChI=1S/C4H4N2O.H2/c1-4(7)2-6-3-5;/h2H,1H3;1H/b6-2-;",85.18701999999999,43.271359999999994,
8848,[C:1]([c:2]1[c:3]([H:11])[n:4][c:5]([N:6]([H:12])[H:13])[o:7]1)([H:8])([H:9])[H:10],[C:1]([C@@:2]1([C:5]([N:6]([H:12])[H:13])=[O:7])[C:3]([H:11])=[N:4]1)([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-3-2-6-4(5)7-3/h2H,1H3,(H2,5,6)","InChI=1S/C4H6N2O/c1-4(2-6-4)3(5)7/h2H,1H3,(H2,5,7)/t4-/m0/s1",86.75665,28.02073,
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8852,[O:1]=[C:2]([c:3]1[n:4][c:5]([H:9])[n:6][o:7]1)[H:8],[O:1]=[C:2]=[C:3]1[N:4]=[C:5]([H:9])[N:6]([H:8])[O:7]1,InChI=1S/C3H2N2O2/c6-1-3-4-2-5-7-3/h1-2H,"InChI=1S/C3H2N2O2/c6-1-3-4-2-5-7-3/h2H,(H,4,5)",84.91503,43.380140000000004,
8853,[O:1]=[C:2]([c:3]1[n:4][c:5]([H:9])[n:6][o:7]1)[H:8],[N:4]#[C:5][H:9].[O:1]1[C:2]([H:8])=[C:3]=[O+:7][N-:6]1,InChI=1S/C3H2N2O2/c6-1-3-4-2-5-7-3/h1-2H,InChI=1S/C2HNO2.CHN/c1-2-5-3-4-1;1-2/h1H;1H,132.28242,100.79977,
8854,[O:1]=[C:2]([c:3]1[n:4][c:5]([H:9])[n:6][o:7]1)[H:8],[O:1]=[C:2]([C:3]1=[N:4][C:5]([H:9])=[N+:6]1[O-:7])[H:8],InChI=1S/C3H2N2O2/c6-1-3-4-2-5-7-3/h1-2H,InChI=1S/C3H2N2O2/c6-1-3-4-2-5(3)7/h1-2H,76.4474,74.72019,
8855,[O:1]=[C:2]([c:3]1[n:4][c:5]([H:9])[n:6][o:7]1)[H:8],[O:1]=[C:2](/[C:3](=[N:4]/[H:9])[O:7][N+:6]#[C-:5])[H:8],InChI=1S/C3H2N2O2/c6-1-3-4-2-5-7-3/h1-2H,"InChI=1S/C3H2N2O2/c1-5-7-3(4)2-6/h2,4H/b4-3-",79.80339000000001,59.885769999999994,
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8857,[O:1]=[C:2]([c:3]1[n:4][c:5]([H:9])[n:6][o:7]1)[H:8],[O-:1][N:4]1[C:3](=[C+:2][H:8])[O:7][N:6]=[C:5]1[H:9],InChI=1S/C3H2N2O2/c6-1-3-4-2-5-7-3/h1-2H,InChI=1S/C3H2N2O2/c1-3-5(6)2-4-7-3/h1-2H,132.1678,116.02982,
8858,[O:1]=[C:2]([c:3]1[n:4][c:5]([H:9])[n:6][o:7]1)[H:8],[O:1]([C+:2]=[C:3]1[N:4]=[C:5]([H:9])[N-:6][O:7]1)[H:8],InChI=1S/C3H2N2O2/c6-1-3-4-2-5-7-3/h1-2H,"InChI=1S/C3H2N2O2/c6-1-3-4-2-5-7-3/h2H,(H-,4,5,6)",82.11281,50.33325,
8859,[O:1]=[C:2]([c:3]1[n:4][c:5]([H:9])[n:6][o:7]1)[H:8],[O+:1]#[C-:2].[c-:3]1[n:4]([H:8])[c:5]([H:9])[n:6][o+:7]1,InChI=1S/C3H2N2O2/c6-1-3-4-2-5-7-3/h1-2H,"InChI=1S/C2H2N2O.CO/c1-3-2-5-4-1;1-2/h1H,(H,3,4);",54.55375,27.2418,
8860,[O:1]=[C:2]([c:3]1[n:4][c:5]([H:9])[n:6][o:7]1)[H:8],[C:5](#[N+:6][O-:7])[H:9].[O:1]=[C:2]([C:3]#[N:4])[H:8],InChI=1S/C3H2N2O2/c6-1-3-4-2-5-7-3/h1-2H,InChI=1S/C2HNO.CHNO/c3-1-2-4;1-2-3/h2H;1H,54.114909999999995,50.76428,
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8862,[O:1]=[C:2]([c:3]1[n:4][c:5]([H:9])[n:6][o:7]1)[H:8],[C:5](#[N:6])[H:9].[O:1]=[C:2]([N:4]=[C:3]=[O:7])[H:8],InChI=1S/C3H2N2O2/c6-1-3-4-2-5-7-3/h1-2H,InChI=1S/C2HNO2.CHN/c4-1-3-2-5;1-2/h1H;1H,45.9165,-23.30859,
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8866,[O:1]([C:2]([C@@:3]1([H:11])[O:4][C@@:5]2([H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15])([H:9])[H:10])[H:8],[C:3]1([H:10])([H:11])[O:4][C@@:5]2([H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15].[O:1]([C:2][H:9])[H:8],"InChI=1S/C5H8O2/c6-2-5-3-1-4(3)7-5/h3-6H,1-2H2/t3-,4+,5-/m1/s1","InChI=1S/C4H6O.CH2O/c1-3-2-5-4(1)3;1-2/h3-4H,1-2H2;1-2H/t3-,4-;/m0./s1",77.08152,80.03666,
8867,[O:1]([C:2]([C@@:3]1([H:11])[O:4][C@@:5]2([H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15])([H:9])[H:10])[H:8],[O:1]([C:2](/[C:3](=[C:7](\[C:6]([C:5](=[O:4])[H:12])([H:13])[H:14])[H:15])[H:11])([H:9])[H:10])[H:8],"InChI=1S/C5H8O2/c6-2-5-3-1-4(3)7-5/h3-6H,1-2H2/t3-,4+,5-/m1/s1","InChI=1S/C5H8O2/c6-4-2-1-3-5-7/h1-2,5-6H,3-4H2/b2-1-",27.757540000000002,-30.4803,
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8869,[O:1]([C:2]([C@@:3]1([H:11])[O:4][C@@:5]2([H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15])([H:9])[H:10])[H:8],[C:2](=[C:3]1[O:4][C@@:5]2([H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15])([H:9])[H:10].[O:1]([H:8])[H:11],"InChI=1S/C5H8O2/c6-2-5-3-1-4(3)7-5/h3-6H,1-2H2/t3-,4+,5-/m1/s1","InChI=1S/C5H6O.H2O/c1-3-4-2-5(4)6-3;/h4-5H,1-2H2;1H2/t4-,5-;/m0./s1",65.94785,7.0628,"1,3_Insertion_ROR"
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8871,[O:1]([C:2]([C@@:3]1([H:11])[O:4][C@@:5]2([H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15])([H:9])[H:10])[H:8],[O:1]([C:2]([C@@:3]1([H:11])[O+:4]=[C-:5][C@:7]1([C:6]([H:12])([H:13])[H:14])[H:15])([H:9])[H:10])[H:8],"InChI=1S/C5H8O2/c6-2-5-3-1-4(3)7-5/h3-6H,1-2H2/t3-,4+,5-/m1/s1","InChI=1S/C5H8O2/c1-4-3-7-5(4)2-6/h4-6H,2H2,1H3/t4-,5-/m1/s1",48.42111,27.87815,
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8880,[O:1]([C:2]([C@@:3]1([H:11])[O:4][C@@:5]2([H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15])([H:9])[H:10])[H:8],[H:11][H:15].[O:1]([C:2]([C:3]1=[C:7]2[C@@:5]([H:12])([O:4]1)[C:6]2([H:13])[H:14])([H:9])[H:10])[H:8],"InChI=1S/C5H8O2/c6-2-5-3-1-4(3)7-5/h3-6H,1-2H2/t3-,4+,5-/m1/s1","InChI=1S/C5H6O2.H2/c6-2-5-3-1-4(3)7-5;/h4,6H,1-2H2;1H/t4-;/m0./s1",109.03681,69.91206,
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8882,[O:1]([C:2]([C@@:3]1([H:11])[O:4][C@@:5]2([H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15])([H:9])[H:10])[H:8],[H:10][H:15].[O:1]([C@:2]1([H:9])[C@@:3]2([H:11])[O:4][C@@:5]2([H:12])[C:6]([H:13])([H:14])[C:7]1)[H:8],"InChI=1S/C5H8O2/c6-2-5-3-1-4(3)7-5/h3-6H,1-2H2/t3-,4+,5-/m1/s1","InChI=1S/C5H6O2.H2/c6-3-1-2-4-5(3)7-4;/h3-6H,2H2;1H/t3-,4-,5+;/m0./s1",97.14976999999999,78.07826,
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8884,[O:1]([C:2]([C@@:3]1([H:11])[O:4][C@@:5]2([H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15])([H:9])[H:10])[H:8],[O:1]1[C:2]([H:9])([H:10])[C@@:3]1([C@@:7]1([H:15])[C@:5]([O:4][H:8])([H:12])[C:6]1([H:13])[H:14])[H:11],"InChI=1S/C5H8O2/c6-2-5-3-1-4(3)7-5/h3-6H,1-2H2/t3-,4+,5-/m1/s1","InChI=1S/C5H8O2/c6-4-1-3(4)5-2-7-5/h3-6H,1-2H2/t3-,4+,5-/m1/s1",45.59134,-5.48959,
8885,[O:1]([C:2]([C@@:3]1([H:11])[O:4][C@@:5]2([H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15])([H:9])[H:10])[H:8],[H:11][H:12].[O:1]([C:2]([C:3]1=[O+:4][C-:5]2[C:6]([H:13])([H:14])[C@@:7]12[H:15])([H:9])[H:10])[H:8],"InChI=1S/C5H8O2/c6-2-5-3-1-4(3)7-5/h3-6H,1-2H2/t3-,4+,5-/m1/s1","InChI=1S/C5H6O2.H2/c6-2-5-3-1-4(3)7-5;/h3,6H,1-2H2;1H/t3-;/m1./s1",87.19936,65.49231,
8886,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])([H:15])[O:5][C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])([H:8])([H:9])[H:10],[C:1]([C:2]([C:6](=[O:5])[C:7]([H:17])([H:18])[H:19])([H:11])[H:16])([H:8])([H:9])[H:10].[C:3](=[C:4]([H:14])[H:15])([H:12])[H:13],"InChI=1S/C6H12O/c1-5-3-4-7-6(5)2/h5-6H,3-4H2,1-2H3/t5-,6-/m0/s1","InChI=1S/C4H8O.C2H4/c1-3-4(2)5;1-2/h3H2,1-2H3;1-2H2",69.61737,13.74654,
8887,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])([H:15])[O:5][C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])([H:8])([H:9])[H:10],[C:1]([C:2]1([H:11])[C:3]([H:12])([H:13])[C:4]1([H:14])[H:15])([H:8])([H:9])[H:10].[O:5]=[C:6]([C:7]([H:17])([H:18])[H:19])[H:16],"InChI=1S/C6H12O/c1-5-3-4-7-6(5)2/h5-6H,3-4H2,1-2H3/t5-,6-/m0/s1","InChI=1S/C4H8.C2H4O/c1-4-2-3-4;1-2-3/h4H,2-3H2,1H3;2H,1H3",77.73079,23.0726,
8888,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])([H:15])[O:5][C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])([H:8])([H:9])[H:10],[C:1]([O:5][C:4]([C:3](/[C:2](=[C:6](/[C:7]([H:17])([H:18])[H:19])[H:16])[H:11])([H:12])[H:13])([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-5-3-4-7-6(5)2/h5-6H,3-4H2,1-2H3/t5-,6-/m0/s1","InChI=1S/C6H12O/c1-3-4-5-6-7-2/h3-4H,5-6H2,1-2H3/b4-3+",102.01335999999999,18.56629,
8889,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])([H:15])[O:5][C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])[O:5][C:6]1([H:15])[H:16])([H:8])([H:9])[H:10].[C:7]([H:17])([H:18])[H:19],"InChI=1S/C6H12O/c1-5-3-4-7-6(5)2/h5-6H,3-4H2,1-2H3/t5-,6-/m0/s1","InChI=1S/C5H9O.CH3/c1-5-2-3-6-4-5;/h3,5H,2,4H2,1H3;1H3/t5-;/m0./s1",128.49823,86.82545999999999,
8890,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])([H:15])[O:5][C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:6]([H:16])[O:5][C:4]([H:14])([H:15])[C:3]1([H:12])[H:13])([C:7]([H:17])([H:18])[H:19])([H:9])[H:10].[H:8][H:11],"InChI=1S/C6H12O/c1-5-3-4-7-6(5)2/h5-6H,3-4H2,1-2H3/t5-,6-/m0/s1","InChI=1S/C6H10O.H2/c1-2-6-3-4-7-5-6;/h5H,2-4H2,1H3;1H",128.49141,26.3039,
8891,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])([H:15])[O:5][C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:3]([H:13])[C:4]([H:14])([H:15])[O:5][C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])([H:8])([H:9])[H:10].[H:11][H:12],"InChI=1S/C6H12O/c1-5-3-4-7-6(5)2/h5-6H,3-4H2,1-2H3/t5-,6-/m0/s1","InChI=1S/C6H10O.H2/c1-5-3-4-7-6(5)2;/h3,6H,4H2,1-2H3;1H/t6-;/m0./s1",112.62402,24.67114,
8892,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])([H:15])[O:5][C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:12])([H:13])[H:16])([C:6](=[O+:5][C-:4]([H:14])[H:15])[C:7]([H:17])([H:18])[H:19])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-5-3-4-7-6(5)2/h5-6H,3-4H2,1-2H3/t5-,6-/m0/s1","InChI=1S/C6H12O/c1-5(2)6(3)7-4/h5H,4H2,1-3H3",104.51979,57.28108,
8893,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])([H:15])[O:5][C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])([H:15])[O+:5]=[C-:6]1)([H:8])([H:9])[H:10].[C:7]([H:16])([H:17])([H:18])[H:19],"InChI=1S/C6H12O/c1-5-3-4-7-6(5)2/h5-6H,3-4H2,1-2H3/t5-,6-/m0/s1","InChI=1S/C5H8O.CH4/c1-5-2-3-6-4-5;/h5H,2-3H2,1H3;1H4/t5-;/m0./s1",68.2648,53.70644,
8894,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])([H:15])[O:5][C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]([C:3](=[C:4]([H:14])[H:15])[H:13])([C@@:6]([O:5][H:12])([C:7]([H:17])([H:18])[H:19])[H:16])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-5-3-4-7-6(5)2/h5-6H,3-4H2,1-2H3/t5-,6-/m0/s1","InChI=1S/C6H12O/c1-4-5(2)6(3)7/h4-7H,1H2,2-3H3/t5-,6-/m0/s1",74.0017,6.63008,
8895,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])([H:15])[O:5][C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])([H:15])[O:5][C:6]1=[C:7]([H:17])[H:19])([H:8])([H:9])[H:10].[H:16][H:18],"InChI=1S/C6H12O/c1-5-3-4-7-6(5)2/h5-6H,3-4H2,1-2H3/t5-,6-/m0/s1","InChI=1S/C6H10O.H2/c1-5-3-4-7-6(5)2;/h5H,2-4H2,1H3;1H/t5-;/m0./s1",92.87989,22.408079999999998,
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8898,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])([H:15])[O:5][C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])([H:15])[O:5][C:6]1([H:16])[H:18])([H:8])([H:9])[H:10].[C:7]([H:17])[H:19],"InChI=1S/C6H12O/c1-5-3-4-7-6(5)2/h5-6H,3-4H2,1-2H3/t5-,6-/m0/s1","InChI=1S/C5H10O.CH2/c1-5-2-3-6-4-5;/h5H,2-4H2,1H3;1H2/t5-;/m0./s1",106.82361999999999,120.46133,"1,2_Insertion_carbene"
8899,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])([H:15])[O:5][C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@@:6]1([O:5][C:4]([H:14])([H:15])[H:16])[C:7]([H:17])([H:18])[H:19])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-5-3-4-7-6(5)2/h5-6H,3-4H2,1-2H3/t5-,6-/m0/s1","InChI=1S/C6H12O/c1-5-4-6(5,2)7-3/h5H,4H2,1-3H3/t5-,6-/m0/s1",112.45033000000001,25.11451,
8900,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])([H:15])[O:5][C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([C:4]([O+:5]=[C-:6][H:16])([H:14])[H:15])([H:12])[H:13])([C:7]([H:17])([H:18])[H:19])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-5-3-4-7-6(5)2/h5-6H,3-4H2,1-2H3/t5-,6-/m0/s1","InChI=1S/C6H12O/c1-6(2)4-5-7-3/h3,6H,4-5H2,1-2H3",120.43337,66.82433,
8901,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])([H:15])[O:5][C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:6]([O:5][C:4](=[C:3]([H:12])[H:13])[H:15])([C:7]([H:17])([H:18])[H:19])[H:16])([H:11])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-5-3-4-7-6(5)2/h5-6H,3-4H2,1-2H3/t5-,6-/m0/s1","InChI=1S/C6H12O/c1-4-6(3)7-5-2/h5-6H,2,4H2,1,3H3/t6-/m0/s1",91.87094,9.56862,
8902,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])([H:15])[O:5][C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])([H:8])([H:9])[H:10],[C:1]1([H:9])([H:10])[C@@:2]2([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])([H:15])[O:5][C@@:6]12[C:7]([H:17])([H:18])[H:19].[H:8][H:16],"InChI=1S/C6H12O/c1-5-3-4-7-6(5)2/h5-6H,3-4H2,1-2H3/t5-,6-/m0/s1","InChI=1S/C6H10O.H2/c1-6-4-5(6)2-3-7-6;/h5H,2-4H2,1H3;1H/t5-,6+;/m1./s1",91.03596,37.20532,
8903,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])([H:15])[O:5][C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([C:4]([O+:5]=[C-:6][C:7]([H:17])([H:18])[H:19])([H:14])[H:15])([H:12])[H:13])([H:11])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-5-3-4-7-6(5)2/h5-6H,3-4H2,1-2H3/t5-,6-/m0/s1","InChI=1S/C6H12O/c1-3-5-6-7-4-2/h3,5-6H2,1-2H3",74.34874,61.52994,
8904,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])([H:15])[O:5][C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:13].[C:2]1([H:11])=[C:3]([H:12])[C:4]([H:14])([H:15])[O:5][C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16],"InChI=1S/C6H12O/c1-5-3-4-7-6(5)2/h5-6H,3-4H2,1-2H3/t5-,6-/m0/s1","InChI=1S/C5H8O.CH4/c1-5-3-2-4-6-5;/h2-3,5H,4H2,1H3;1H4/t5-;/m0./s1",102.97978,15.75012,
8905,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])([H:15])[O:5][C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C-:4]([H:14])[O+:5]=[C:6]1[C:7]([H:17])([H:18])[H:19])([H:8])([H:9])[H:10].[H:15][H:16],"InChI=1S/C6H12O/c1-5-3-4-7-6(5)2/h5-6H,3-4H2,1-2H3/t5-,6-/m0/s1","InChI=1S/C6H10O.H2/c1-5-3-4-7-6(5)2;/h4-5H,3H2,1-2H3;1H/t5-;/m0./s1",67.03196,68.22868000000001,
8906,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])([H:15])[O:5][C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:13])=[C:4]([H:15])[O:5][C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])([H:8])([H:9])[H:10].[H:12][H:14],"InChI=1S/C6H12O/c1-5-3-4-7-6(5)2/h5-6H,3-4H2,1-2H3/t5-,6-/m0/s1","InChI=1S/C6H10O.H2/c1-5-3-4-7-6(5)2;/h3-6H,1-2H3;1H/t5-,6-;/m0./s1",100.64939,25.146539999999998,
8907,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])([H:15])[O:5][C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:6]([H:16])[O:5][C:4]([H:14])([H:15])[C@@:3]1([C:7]([H:17])([H:18])[H:19])[H:12])([H:8])([H:9])[H:10].[H:11][H:13],"InChI=1S/C6H12O/c1-5-3-4-7-6(5)2/h5-6H,3-4H2,1-2H3/t5-,6-/m0/s1","InChI=1S/C6H10O.H2/c1-5-3-7-4-6(5)2;/h3,6H,4H2,1-2H3;1H/t6-;/m0./s1",136.20665,24.123160000000002,
8908,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])([H:15])[O:5][C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]([C:3]([C:4]([O:5][C:7]([H:17])([H:18])[H:19])([H:14])[H:15])([H:12])[H:13])([C:6][H:16])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-5-3-4-7-6(5)2/h5-6H,3-4H2,1-2H3/t5-,6-/m0/s1","InChI=1S/C6H12O/c1-6(2)4-5-7-3/h1,6H,4-5H2,2-3H3/t6-/m0/s1",111.38141999999999,94.3847,
8909,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])([H:15])[O:5][C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:4]1([O:5][C:6]([C:7]([H:17])([H:18])[H:19])([H:14])[H:16])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-5-3-4-7-6(5)2/h5-6H,3-4H2,1-2H3/t5-,6-/m0/s1","InChI=1S/C6H12O/c1-3-7-6-4-5(6)2/h5-6H,3-4H2,1-2H3/t5-,6+/m0/s1",109.83911,22.393179999999997,
8910,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])([H:15])[O:5][C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C@@:6]([O+:5]=[C-:4][H:15])([C:7]([H:17])([H:18])[H:19])[H:16])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-5-3-4-7-6(5)2/h5-6H,3-4H2,1-2H3/t5-,6-/m0/s1","InChI=1S/C6H12O/c1-5(2)6(3)7-4/h4-6H,1-3H3/t6-/m0/s1",71.79079,60.51221999999999,
8911,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])([H:15])[O:5][C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:3](/[C:4]([H:13])([H:14])[H:15])[H:12])[H:11])([H:8])([H:9])[H:10].[O:5]=[C:6]([C:7]([H:17])([H:18])[H:19])[H:16],"InChI=1S/C6H12O/c1-5-3-4-7-6(5)2/h5-6H,3-4H2,1-2H3/t5-,6-/m0/s1","InChI=1S/C4H8.C2H4O/c1-3-4-2;1-2-3/h3-4H,1-2H3;2H,1H3/b4-3+;",75.09865,13.620989999999999,
8912,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])([H:15])[O:5][C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])([H:8])([H:9])[H:10],[C:1]([C:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])([H:15])[O:5][C:7]([H:17])([H:19])[C:6]1([H:16])[H:18])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-5-3-4-7-6(5)2/h5-6H,3-4H2,1-2H3/t5-,6-/m0/s1","InChI=1S/C6H12O/c1-6-2-4-7-5-3-6/h6H,2-5H2,1H3",88.30383,4.93193,
8913,[O:1]=[C:2]([C:3](=[O:4])[N:5]1[C:6]([H:9])([H:10])[C:7]1([H:11])[H:12])[H:8],[O:1]=[C:2]([C:3](=[O:4])[C@:7]1([H:12])[N:5]([H:11])[C:6]1([H:9])[H:10])[H:8],"InChI=1S/C4H5NO2/c6-3-4(7)5-1-2-5/h3H,1-2H2","InChI=1S/C4H5NO2/c6-2-4(7)3-1-5-3/h2-3,5H,1H2/t3-/m1/s1",94.27756,2.55898,
8914,[O:1]=[C:2]([C:3](=[O:4])[N:5]1[C:6]([H:9])([H:10])[C:7]1([H:11])[H:12])[H:8],[O:1]([C@@:2]1([H:8])[C@@:3]2([O:4]1)[N:5]1[C@@:6]2([H:9])[C:7]1([H:11])[H:12])[H:10],"InChI=1S/C4H5NO2/c6-3-4(7)5-1-2-5/h3H,1-2H2","InChI=1S/C4H5NO2/c6-3-4(7-3)2-1-5(2)4/h2-3,6H,1H2/t2-,3+,4+,5?/m0/s1",69.92713,49.66059,
8915,[O:1]=[C:2]([C:3](=[O:4])[N:5]1[C:6]([H:9])([H:10])[C:7]1([H:11])[H:12])[H:8],[O:1]=[C:2](/[C:3]([O:4][H:9])=[N:5]/[C:6](=[C:7]([H:11])[H:12])[H:10])[H:8],"InChI=1S/C4H5NO2/c6-3-4(7)5-1-2-5/h3H,1-2H2","InChI=1S/C4H5NO2/c1-2-5-4(7)3-6/h2-3H,1H2,(H,5,7)",43.53792,-11.595130000000001,
8916,[O:1]=[C:2]([C:3](=[O:4])[N:5]1[C:6]([H:9])([H:10])[C:7]1([H:11])[H:12])[H:8],[o+:1]1[c:2]([H:8])[c:3]([O-:4])[n:5]([C:6]([H:9])([H:10])[H:11])[c:7]1[H:12],"InChI=1S/C4H5NO2/c6-3-4(7)5-1-2-5/h3H,1-2H2","InChI=1S/C4H5NO2/c1-5-3-7-2-4(5)6/h2-3H,1H3",69.13467,-10.54773,
8917,[O:1]=[C:2]([C:3](=[O:4])[N:5]1[C:6]([H:9])([H:10])[C:7]1([H:11])[H:12])[H:8],[O+:1]1=[C:2]([H:8])[C:3](=[O:4])[N-:5][C:7]([H:11])([H:12])[C:6]1([H:9])[H:10],"InChI=1S/C4H5NO2/c6-3-4(7)5-1-2-5/h3H,1-2H2","InChI=1S/C4H5NO2/c6-4-3-7-2-1-5-4/h3H,1-2H2",42.90533,17.73006,
8918,[O:1]=[C:2]([C:3](=[O:4])[N:5]1[C:6]([H:9])([H:10])[C:7]1([H:11])[H:12])[H:8],[O:1]=[C:2]([C:3](=[O:4])[C:7]([N:5]=[C:6]([H:9])[H:10])([H:11])[H:12])[H:8],"InChI=1S/C4H5NO2/c6-3-4(7)5-1-2-5/h3H,1-2H2","InChI=1S/C4H5NO2/c1-5-2-4(7)3-6/h3H,1-2H2",40.00567,-0.43742,
8919,[O:1]=[C:2]([C:3](=[O:4])[N:5]1[C:6]([H:9])([H:10])[C:7]1([H:11])[H:12])[H:8],[O:1]=[C:2]([C:3](=[O:4])[N+:5]1([H:12])[C:6]([H:9])([H:10])[C-:7]1[H:11])[H:8],"InChI=1S/C4H5NO2/c6-3-4(7)5-1-2-5/h3H,1-2H2","InChI=1S/C4H5NO2/c6-3-4(7)5-1-2-5/h1,3,5H,2H2",67.10991999999999,56.080580000000005,
8920,[O:1]=[C:2]([C:3](=[O:4])[N:5]1[C:6]([H:9])([H:10])[C:7]1([H:11])[H:12])[H:8],[O-:1][C:2](=[C:3]([O:4][H:9])[N+:5]1=[C:6]([H:10])[C:7]1([H:11])[H:12])[H:8],"InChI=1S/C4H5NO2/c6-3-4(7)5-1-2-5/h3H,1-2H2","InChI=1S/C4H5NO2/c6-3-4(7)5-1-2-5/h1,3H,2H2,(H-,6,7)",56.66893,40.221070000000005,
8921,[O:1]=[C:2]([C:3](=[O:4])[N:5]1[C:6]([H:9])([H:10])[C:7]1([H:11])[H:12])[H:8],[O+:1](=[C-:2][H:8])[C:3](=[O:4])[N:5]1[C:6]([H:9])([H:10])[C:7]1([H:11])[H:12],"InChI=1S/C4H5NO2/c6-3-4(7)5-1-2-5/h3H,1-2H2","InChI=1S/C4H5NO2/c1-7-4(6)5-2-3-5/h1H,2-3H2",71.90136,60.97534,
8922,[O:1]=[C:2]([C:3](=[O:4])[N:5]1[C:6]([H:9])([H:10])[C:7]1([H:11])[H:12])[H:8],[C:6](=[C:7]([H:11])[H:12])([H:9])[H:10].[O:1]=[C:2]([O:4][C:3]#[N:5])[H:8],"InChI=1S/C4H5NO2/c6-3-4(7)5-1-2-5/h3H,1-2H2",InChI=1S/C2HNO2.C2H4/c3-1-5-2-4;1-2/h2H;1-2H2,40.33661,9.81108,
8923,[O:1]=[C:2]([C:3](=[O:4])[N:5]1[C:6]([H:9])([H:10])[C:7]1([H:11])[H:12])[H:8],[H:8][H:10].[O:1]=[C:2]1[C:3](=[O:4])[N:5]2[C@@:6]1([H:9])[C:7]2([H:11])[H:12],"InChI=1S/C4H5NO2/c6-3-4(7)5-1-2-5/h3H,1-2H2","InChI=1S/C4H3NO2.H2/c6-3-2-1-5(2)4(3)7;/h2H,1H2;1H/t2-,5?;/m0./s1",92.09132,32.21092,
8924,[O:1]=[C:2]([C:3](=[O:4])[N:5]1[C:6]([H:9])([H:10])[C:7]1([H:11])[H:12])[H:8],[O:1]=[C:2]([C:3]1=[N:5][C:6]([H:9])([H:10])[C:7]([H:11])([H:12])[O:4]1)[H:8],"InChI=1S/C4H5NO2/c6-3-4(7)5-1-2-5/h3H,1-2H2","InChI=1S/C4H5NO2/c6-3-4-5-1-2-7-4/h3H,1-2H2",35.80058,-12.44399,ketoenol
8925,[O:1]=[C:2]([C:3](=[O:4])[N:5]1[C:6]([H:9])([H:10])[C:7]1([H:11])[H:12])[H:8],[O:1]=[C:2]([C:3](=[O:4])[N+:5]([C-:6]([H:9])[H:10])=[C:7]([H:11])[H:12])[H:8],"InChI=1S/C4H5NO2/c6-3-4(7)5-1-2-5/h3H,1-2H2","InChI=1S/C4H5NO2/c1-5(2)4(7)3-6/h3H,1-2H2",39.71607,34.85447,
8926,[O:1]=[C:2]([C:3](=[O:4])[N:5]1[C:6]([H:9])([H:10])[C:7]1([H:11])[H:12])[H:8],[O:1]([C@@:2]1([H:8])[C:3](=[O:4])[N:5]2[C@@:6]1([H:9])[C:7]2([H:11])[H:12])[H:10],"InChI=1S/C4H5NO2/c6-3-4(7)5-1-2-5/h3H,1-2H2","InChI=1S/C4H5NO2/c6-3-2-1-5(2)4(3)7/h2-3,6H,1H2/t2-,3+,5?/m0/s1",87.98984,15.979510000000001,
8927,[O:1]=[C:2]([C:3](=[O:4])[N:5]1[C:6]([H:9])([H:10])[C:7]1([H:11])[H:12])[H:8],[O:1]=[C:2]=[C:3]([O-:4])[N+:5](=[C:6]([H:9])[H:10])[C:7]([H:8])([H:11])[H:12],"InChI=1S/C4H5NO2/c6-3-4(7)5-1-2-5/h3H,1-2H2","InChI=1S/C4H5NO2/c1-5(2)4(7)3-6/h1H2,2H3",43.880559999999996,20.56816,
8928,[O:1]=[C:2]([C:3](=[O:4])[N:5]1[C:6]([H:9])([H:10])[C:7]1([H:11])[H:12])[H:8],[C:3](=[O:4])=[N:5][C:7]([C:6]([H:8])([H:9])[H:10])([H:11])[H:12].[O+:1]#[C-:2],"InChI=1S/C4H5NO2/c6-3-4(7)5-1-2-5/h3H,1-2H2","InChI=1S/C3H5NO.CO/c1-2-4-3-5;1-2/h2H2,1H3;",47.88288,-35.01632,
8929,[O:1]=[C:2]([C:3](=[O:4])[N:5]1[C:6]([H:9])([H:10])[C:7]1([H:11])[H:12])[H:8],[O:1]1[C:2]([H:8])=[C:3]([O-:4])[N+:5](=[C:6]([H:9])[H:10])[C:7]1([H:11])[H:12],"InChI=1S/C4H5NO2/c6-3-4(7)5-1-2-5/h3H,1-2H2","InChI=1S/C4H5NO2/c1-5-3-7-2-4(5)6/h2H,1,3H2",39.96182,13.86248,
8930,[O:1]=[C:2]([C:3](=[O:4])[N:5]1[C:6]([H:9])([H:10])[C:7]1([H:11])[H:12])[H:8],[C-:3]#[O+:4].[O:1]=[C:2]([N:5]1[C:6]([H:9])([H:10])[C:7]1([H:11])[H:12])[H:8],"InChI=1S/C4H5NO2/c6-3-4(7)5-1-2-5/h3H,1-2H2","InChI=1S/C3H5NO.CO/c5-3-4-1-2-4;1-2/h3H,1-2H2;",47.613009999999996,-0.20770999999999998,"1,2_Insertion_CO"
8931,[O:1]=[C:2]([C:3](=[O:4])[N:5]1[C:6]([H:9])([H:10])[C:7]1([H:11])[H:12])[H:8],[C-:3]#[O+:4].[N:5]1([H:8])[C:6]([H:9])([H:10])[C:7]1([H:11])[H:12].[O+:1]#[C-:2],"InChI=1S/C4H5NO2/c6-3-4(7)5-1-2-5/h3H,1-2H2","InChI=1S/C2H5N.2CO/c1-2-3-1;2*1-2/h3H,1-2H2;;",57.87305,7.49747,
8932,[O:1]=[C:2]([C:3](=[O:4])[N:5]1[C:6]([H:9])([H:10])[C:7]1([H:11])[H:12])[H:8],[O:1]=[C:2]([C:6]([C:7]([N:5]=[C:3]=[O:4])([H:11])[H:12])([H:9])[H:10])[H:8],"InChI=1S/C4H5NO2/c6-3-4(7)5-1-2-5/h3H,1-2H2","InChI=1S/C4H5NO2/c6-3-1-2-5-4-7/h3H,1-2H2",51.15565,-32.791740000000004,
8933,[O:1]=[C:2]([C:3](=[O:4])[N:5]1[C:6]([H:9])([H:10])[C:7]1([H:11])[H:12])[H:8],[O:1]([C+:2]=[C:3]([O-:4])[N:5]1[C:6]([H:9])([H:10])[C:7]1([H:11])[H:12])[H:8],"InChI=1S/C4H5NO2/c6-3-4(7)5-1-2-5/h3H,1-2H2","InChI=1S/C4H5NO2/c6-3-4(7)5-1-2-5/h1-2H2,(H-,6,7)",83.59943,51.52315,
8934,[O:1]=[C:2]([C:3](=[O:4])[N:5]1[C:6]([H:9])([H:10])[C:7]1([H:11])[H:12])[H:8],[O:1]([C:2](=[C:3]=[O:4])[H:8])[N:5]1[C:6]([H:9])([H:10])[C:7]1([H:11])[H:12],"InChI=1S/C4H5NO2/c6-3-4(7)5-1-2-5/h3H,1-2H2","InChI=1S/C4H5NO2/c6-3-4-7-5-1-2-5/h4H,1-2H2",79.32196,64.71755,ketoenol
8935,[O:1]=[C:2]([C:3](=[O:4])[N:5]1[C:6]([H:9])([H:10])[C:7]1([H:11])[H:12])[H:8],[H:8][H:11].[O:1]=[C:2]=[C:3]([O-:4])[N+:5]1=[C:7]([H:12])[C:6]1([H:9])[H:10],"InChI=1S/C4H5NO2/c6-3-4(7)5-1-2-5/h3H,1-2H2","InChI=1S/C4H3NO2.H2/c6-3-4(7)5-1-2-5;/h1H,2H2;1H",83.03236,82.54901,
8936,[C:1](/[N:2]=[C:3](/[O:4][C:5]([C:6]([O:7][H:16])([H:14])[H:15])([H:12])[H:13])[H:11])([H:8])([H:9])[H:10],[C:1]([N+:2]#[C-:3])([H:8])([H:9])[H:10].[O:4]([C:5]([C:6]([O:7][H:16])([H:14])[H:15])([H:12])[H:13])[H:11],"InChI=1S/C4H9NO2/c1-5-4-7-3-2-6/h4,6H,2-3H2,1H3/b5-4+","InChI=1S/C2H3N.C2H6O2/c1-3-2;3-1-2-4/h1H3;3-4H,1-2H2",60.87209,32.990790000000004,
8937,[C:1](/[N:2]=[C:3](/[O:4][C:5]([C:6]([O:7][H:16])([H:14])[H:15])([H:12])[H:13])[H:11])([H:8])([H:9])[H:10],[C:1]([N:2]([C:3](=[O:4])[H:11])[H:16])([H:8])([H:9])[H:10].[C:5]1([H:12])([H:13])[C:6]([H:14])([H:15])[O:7]1,"InChI=1S/C4H9NO2/c1-5-4-7-3-2-6/h4,6H,2-3H2,1H3/b5-4+","InChI=1S/C2H5NO.C2H4O/c1-3-2-4;1-2-3-1/h2H,1H3,(H,3,4);1-2H2",46.39118,21.12193,
8938,[C:1](/[N:2]=[C:3](/[O:4][C:5]([C:6]([O:7][H:16])([H:14])[H:15])([H:12])[H:13])[H:11])([H:8])([H:9])[H:10],[C:1](=[N:2][C:3](=[O:4])[H:11])([H:8])[H:9].[C:5]([C:6]([O:7][H:16])([H:14])[H:15])([H:10])([H:12])[H:13],"InChI=1S/C4H9NO2/c1-5-4-7-3-2-6/h4,6H,2-3H2,1H3/b5-4+","InChI=1S/C2H3NO.C2H6O/c1-3-2-4;1-2-3/h2H,1H2;3H,2H2,1H3",58.822790000000005,14.38843,
8939,[C:1](/[N:2]=[C:3](/[O:4][C:5]([C:6]([O:7][H:16])([H:14])[H:15])([H:12])[H:13])[H:11])([H:8])([H:9])[H:10],[C-:1]([N:2]([C:3](=[O+:4][C:5]([C:6]([O:7][H:16])([H:14])[H:15])([H:12])[H:13])[H:11])[H:8])([H:9])[H:10],"InChI=1S/C4H9NO2/c1-5-4-7-3-2-6/h4,6H,2-3H2,1H3/b5-4+","InChI=1S/C4H9NO2/c1-5-4-7-3-2-6/h4-6H,1-3H2",80.71461,49.184290000000004,
8940,[C:1](/[N:2]=[C:3](/[O:4][C:5]([C:6]([O:7][H:16])([H:14])[H:15])([H:12])[H:13])[H:11])([H:8])([H:9])[H:10],[C:1]([N:2]([C:3](=[O:4])[H:11])[H:16])([H:8])([H:9])[H:10].[C:5]([C:6](=[O:7])[H:14])([H:12])([H:13])[H:15],"InChI=1S/C4H9NO2/c1-5-4-7-3-2-6/h4,6H,2-3H2,1H3/b5-4+","InChI=1S/C2H5NO.C2H4O/c1-3-2-4;1-2-3/h2H,1H3,(H,3,4);2H,1H3",31.45944,-6.3688,
8941,[C:1](/[N:2]=[C:3](/[O:4][C:5]([C:6]([O:7][H:16])([H:14])[H:15])([H:12])[H:13])[H:11])([H:8])([H:9])[H:10],[C:1](=[N:2][C:3]([O:4][C:5]([C:6]([O:7][H:16])([H:14])[H:15])([H:12])[H:13])([H:8])[H:11])([H:9])[H:10],"InChI=1S/C4H9NO2/c1-5-4-7-3-2-6/h4,6H,2-3H2,1H3/b5-4+","InChI=1S/C4H9NO2/c1-5-4-7-3-2-6/h6H,1-4H2",80.01092,18.94821,
8942,[C:1](/[N:2]=[C:3](/[O:4][C:5]([C:6]([O:7][H:16])([H:14])[H:15])([H:12])[H:13])[H:11])([H:8])([H:9])[H:10],[C:1]([N:2]=[C:3]([H:11])[H:12])([H:8])([H:9])[H:10].[O:4]=[C:5]([C:6]([O:7][H:16])([H:14])[H:15])[H:13],"InChI=1S/C4H9NO2/c1-5-4-7-3-2-6/h4,6H,2-3H2,1H3/b5-4+","InChI=1S/C2H5N.C2H4O2/c1-3-2;3-1-2-4/h1H2,2H3;1,4H,2H2",82.38407,24.67318,
8943,[C:1](/[N:2]=[C:3](/[O:4][C:5]([C:6]([O:7][H:16])([H:14])[H:15])([H:12])[H:13])[H:11])([H:8])([H:9])[H:10],[C:1]([N:2]([C:3](=[O+:4][C-:5]([H:12])[H:13])[H:11])[C:6]([O:7][H:16])([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C4H9NO2/c1-5-4-7-3-2-6/h4,6H,2-3H2,1H3/b5-4+","InChI=1S/C4H9NO2/c1-5(3-6)4-7-2/h4,6H,2-3H2,1H3",80.59196999999999,65.66224,
8944,[C:1](/[N:2]=[C:3](/[O:4][C:5]([C:6]([O:7][H:16])([H:14])[H:15])([H:12])[H:13])[H:11])([H:8])([H:9])[H:10],[C:1]([N:2]1[C:3]([H:11])[O:4][C:5]([H:12])([H:13])[C:6]1([H:14])[H:15])([H:8])([H:9])[H:10].[O:7][H:16],"InChI=1S/C4H9NO2/c1-5-4-7-3-2-6/h4,6H,2-3H2,1H3/b5-4+","InChI=1S/C4H8NO.HO/c1-5-2-3-6-4-5;/h4H,2-3H2,1H3;1H",86.06336,103.21996,
8945,[C:1](/[N:2]=[C:3](/[O:4][C:5]([C:6]([O:7][H:16])([H:14])[H:15])([H:12])[H:13])[H:11])([H:8])([H:9])[H:10],[C:1]([N:2]([C:3](=[O:4])[H:11])[C:5]([C:6]([O:7][H:16])([H:14])[H:15])([H:12])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H9NO2/c1-5-4-7-3-2-6/h4,6H,2-3H2,1H3/b5-4+","InChI=1S/C4H9NO2/c1-5(4-7)2-3-6/h4,6H,2-3H2,1H3",42.65067,-10.746,ketoenol
8946,[C:1](/[N:2]=[C:3](/[O:4][C:5]([C:6]([O:7][H:16])([H:14])[H:15])([H:12])[H:13])[H:11])([H:8])([H:9])[H:10],[C:1](/[N:2]=[C:3](/[O:4][H:16])[H:11])([H:8])([H:9])[H:10].[C:5]([C:6](=[O:7])[H:14])([H:12])([H:13])[H:15],"InChI=1S/C4H9NO2/c1-5-4-7-3-2-6/h4,6H,2-3H2,1H3/b5-4+","InChI=1S/C2H5NO.C2H4O/c1-3-2-4;1-2-3/h2H,1H3,(H,3,4);2H,1H3",59.2972,1.99603,
8947,[C:1](/[N:2]=[C:3](/[O:4][C:5]([C:6]([O:7][H:16])([H:14])[H:15])([H:12])[H:13])[H:11])([H:8])([H:9])[H:10],[C:1]([N:2]([C-:3]=[O+:4][C:5]([C:6]([O:7][H:16])([H:14])[H:15])([H:12])[H:13])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H9NO2/c1-5-4-7-3-2-6/h4,6H,2-3H2,1H3/b5-4+","InChI=1S/C4H9NO2/c1-5-4-7-3-2-6/h5-6H,2-3H2,1H3",79.86851,44.40893,
8948,[C:1](/[N:2]=[C:3](/[O:4][C:5]([C:6]([O:7][H:16])([H:14])[H:15])([H:12])[H:13])[H:11])([H:8])([H:9])[H:10],[C:1]([N:2]([C:3]1([H:11])[O:4][C:5]([H:12])([H:13])[C:6]([H:14])([H:15])[O:7]1)[H:16])([H:8])([H:9])[H:10],"InChI=1S/C4H9NO2/c1-5-4-7-3-2-6/h4,6H,2-3H2,1H3/b5-4+","InChI=1S/C4H9NO2/c1-5-4-6-2-3-7-4/h4-5H,2-3H2,1H3",35.65399,8.09412,
8949,[C:1](/[N:2]=[C:3](/[O:4][C:5]([C:6]([O:7][H:16])([H:14])[H:15])([H:12])[H:13])[H:11])([H:8])([H:9])[H:10],[C:1](/[N:2]=[C:3](/[O:4][C:5]([C:6](=[O:7])[H:15])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10].[H:12][H:16],"InChI=1S/C4H9NO2/c1-5-4-7-3-2-6/h4,6H,2-3H2,1H3/b5-4+","InChI=1S/C4H7NO2.H2/c1-5-4-7-3-2-6;/h2,4H,3H2,1H3;1H/b5-4+;",77.54571999999999,26.115,
8950,[C:1](/[N:2]=[C:3](/[O:4][C:5]([C:6]([O:7][H:16])([H:14])[H:15])([H:12])[H:13])[H:11])([H:8])([H:9])[H:10],[C:1](/[N:2]=[C:3](/[C:6]([O:7][H:16])([H:14])[H:15])[H:11])([H:8])([H:9])[H:10].[O:4]=[C:5]([H:12])[H:13],"InChI=1S/C4H9NO2/c1-5-4-7-3-2-6/h4,6H,2-3H2,1H3/b5-4+","InChI=1S/C3H7NO.CH2O/c1-4-2-3-5;1-2/h2,5H,3H2,1H3;1H2/b4-2+;",93.09147,22.30526,
8951,[C:1](/[N:2]=[C:3](/[O:4][C:5]([C:6]([O:7][H:16])([H:14])[H:15])([H:12])[H:13])[H:11])([H:8])([H:9])[H:10],[C:1]([N:2]([C:3]([O:4][C:5]([C:6](=[O:7])[H:15])([H:12])[H:13])([H:11])[H:14])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C4H9NO2/c1-5-4-7-3-2-6/h4,6H,2-3H2,1H3/b5-4+","InChI=1S/C4H9NO2/c1-5-4-7-3-2-6/h2,5H,3-4H2,1H3",39.54495,13.57995,
8952,[C:1](/[N:2]=[C:3](/[O:4][C:5]([C:6]([O:7][H:16])([H:14])[H:15])([H:12])[H:13])[H:11])([H:8])([H:9])[H:10],[C:1]([O:4][C:5]([C:6]([O:7][H:16])([H:14])[H:15])([H:12])[H:13])([H:8])([H:9])[H:10].[N:2]#[C:3][H:11],"InChI=1S/C4H9NO2/c1-5-4-7-3-2-6/h4,6H,2-3H2,1H3/b5-4+","InChI=1S/C3H8O2.CHN/c1-5-3-2-4;1-2/h4H,2-3H2,1H3;1H",85.11417,23.512220000000003,
8953,[C:1](/[N:2]=[C:3](/[O:4][C:5]([C:6]([O:7][H:16])([H:14])[H:15])([H:12])[H:13])[H:11])([H:8])([H:9])[H:10],[C:1](=[N:2][C:3](=[O+:4][C-:5]([C:6]([O:7][H:16])([H:14])[H:15])[H:13])[H:11])([H:9])[H:10].[H:8][H:12],"InChI=1S/C4H9NO2/c1-5-4-7-3-2-6/h4,6H,2-3H2,1H3/b5-4+","InChI=1S/C4H7NO2.H2/c1-5-4-7-3-2-6;/h3-4,6H,1-2H2;1H",86.41418,79.2725,
8954,[C:1](/[N:2]=[C:3](/[O:4][C:5]([C:6]([O:7][H:16])([H:14])[H:15])([H:12])[H:13])[H:11])([H:8])([H:9])[H:10],[C:1]([O:7][C:6]([C:5]([O:4]/[C:3](=[N:2]\[H:16])[H:11])([H:12])[H:13])([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C4H9NO2/c1-5-4-7-3-2-6/h4,6H,2-3H2,1H3/b5-4+","InChI=1S/C4H9NO2/c1-6-2-3-7-4-5/h4-5H,2-3H2,1H3/b5-4-",79.91216,12.23127,
8955,[C:1](/[N:2]=[C:3](/[O:4][C:5]([C:6]([O:7][H:16])([H:14])[H:15])([H:12])[H:13])[H:11])([H:8])([H:9])[H:10],[C:1]([N:2]([C@@:3]1([H:11])[O:4][C:5]([H:12])([H:13])[C@:6]1([O:7][H:15])[H:14])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C4H9NO2/c1-5-4-7-3-2-6/h4,6H,2-3H2,1H3/b5-4+","InChI=1S/C4H9NO2/c1-5-4-3(6)2-7-4/h3-6H,2H2,1H3/t3-,4+/m1/s1",92.57573000000001,21.99887,
8956,[C:1](/[N:2]=[C:3](/[O:4][C:5]([C:6]([O:7][H:16])([H:14])[H:15])([H:12])[H:13])[H:11])([H:8])([H:9])[H:10],[C:1]([N:2]([C@@:3]1([H:11])[O:4][C:5]([H:12])([H:13])[C:6]1([H:14])[H:15])[O:7][H:16])([H:8])([H:9])[H:10],"InChI=1S/C4H9NO2/c1-5-4-7-3-2-6/h4,6H,2-3H2,1H3/b5-4+","InChI=1S/C4H9NO2/c1-5(6)4-2-3-7-4/h4,6H,2-3H2,1H3/t4-/m0/s1",114.65691000000001,51.43967,
8957,[O:1]=[C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[N:5]1[C:6](=[O:7])[H:12])[H:8],[O:1]=[C:2](/[C:3](=[N:5]\[C:4]([C:6](=[O:7])[H:12])([H:10])[H:11])[H:9])[H:8],"InChI=1S/C4H5NO2/c6-2-4-1-5(4)3-7/h2-4H,1H2/t4-,5?/m1/s1","InChI=1S/C4H5NO2/c6-3-1-5-2-4-7/h1,3-4H,2H2/b5-1-",71.18007,1.7137900000000001,
8958,[O:1]=[C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[N:5]1[C:6](=[O:7])[H:12])[H:8],[O:1]1[C@@:2]2([H:8])[C@:3]1([H:9])[C:4]([H:10])([H:11])[N:5]=[C:6]([H:12])[O:7]2,"InChI=1S/C4H5NO2/c6-2-4-1-5(4)3-7/h2-4H,1H2/t4-,5?/m1/s1","InChI=1S/C4H5NO2/c1-3-4(7-3)6-2-5-1/h2-4H,1H2/t3-,4-/m0/s1",40.9026,1.57075,
8959,[O:1]=[C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[N:5]1[C:6](=[O:7])[H:12])[H:8],[C-:3]1([H:9])[C:4]([H:10])([H:11])[N+:5]1([C:6](=[O:7])[H:12])[H:8].[O+:1]#[C-:2],"InChI=1S/C4H5NO2/c6-2-4-1-5(4)3-7/h2-4H,1H2/t4-,5?/m1/s1","InChI=1S/C3H5NO.CO/c5-3-4-1-2-4;1-2/h1,3-4H,2H2;",59.3773,60.47748000000001,
8960,[O:1]=[C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[N:5]1[C:6](=[O:7])[H:12])[H:8],[C@:3]12([H:9])[C:4]([H:10])([H:11])[N:5]1[C@:6]2([O:7][H:8])[H:12].[O+:1]#[C-:2],"InChI=1S/C4H5NO2/c6-2-4-1-5(4)3-7/h2-4H,1H2/t4-,5?/m1/s1","InChI=1S/C3H5NO.CO/c5-3-2-1-4(2)3;1-2/h2-3,5H,1H2;/t2-,3+,4?;/m1./s1",60.690780000000004,31.03172,
8961,[O:1]=[C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[N:5]1[C:6](=[O:7])[H:12])[H:8],[O:1]=[C:2]=[C:3]([C:4](/[N:5]=[C:6](\[O:7][H:8])[H:12])([H:10])[H:11])[H:9],"InChI=1S/C4H5NO2/c6-2-4-1-5(4)3-7/h2-4H,1H2/t4-,5?/m1/s1","InChI=1S/C4H5NO2/c6-3-1-2-5-4-7/h1,4H,2H2,(H,5,7)",40.40125,-12.1447,
8962,[O:1]=[C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[N:5]1[C:6](=[O:7])[H:12])[H:8],[O:1]=[C:2]([O:7]/[C:6](=[N:5]\[C:3](=[C:4]([H:10])[H:11])[H:9])[H:12])[H:8],"InChI=1S/C4H5NO2/c6-2-4-1-5(4)3-7/h2-4H,1H2/t4-,5?/m1/s1","InChI=1S/C4H5NO2/c1-2-5-3-7-4-6/h2-4H,1H2/b5-3-",45.495090000000005,-9.574160000000001,
8963,[O:1]=[C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[N:5]1[C:6](=[O:7])[H:12])[H:8],[O:1]=[C:2]([C:4](/[C:3](=[N:5]\[C:6](=[O:7])[H:12])[H:9])([H:10])[H:11])[H:8],"InChI=1S/C4H5NO2/c6-2-4-1-5(4)3-7/h2-4H,1H2/t4-,5?/m1/s1","InChI=1S/C4H5NO2/c6-3-1-2-5-4-7/h2-4H,1H2/b5-2-",68.87196,-13.07891,
8964,[O:1]=[C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[N:5]1[C:6](=[O:7])[H:12])[H:8],[O:1]=[C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[O:7][C:6]([H:12])=[N:5]1)[H:8],"InChI=1S/C4H5NO2/c6-2-4-1-5(4)3-7/h2-4H,1H2/t4-,5?/m1/s1","InChI=1S/C4H5NO2/c6-1-4-2-7-3-5-4/h1,3-4H,2H2/t4-/m0/s1",37.668479999999995,-11.71335,ketoenol
8965,[O:1]=[C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[N:5]1[C:6](=[O:7])[H:12])[H:8],[O:1]([C-:2]([C@@:3]1([H:9])[C:4]([H:10])=[N+:5]1[C:6](=[O:7])[H:12])[H:8])[H:11],"InChI=1S/C4H5NO2/c6-2-4-1-5(4)3-7/h2-4H,1H2/t4-,5?/m1/s1","InChI=1S/C4H5NO2/c6-2-4-1-5(4)3-7/h1-4,6H/t4-/m1/s1",94.53721999999999,56.50402,
8966,[O:1]=[C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[N:5]1[C:6](=[O:7])[H:12])[H:8],[O-:1][C:2](=[C:3]([N+:5]1=[C:6]([H:12])[O:7][C:4]1([H:10])[H:11])[H:9])[H:8],"InChI=1S/C4H5NO2/c6-2-4-1-5(4)3-7/h2-4H,1H2/t4-,5?/m1/s1","InChI=1S/C4H5NO2/c6-2-1-5-3-7-4-5/h1-3H,4H2",54.36026,39.55668,
8967,[O:1]=[C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[N:5]1[C:6](=[O:7])[H:12])[H:8],[O:1]=[C:2]([C@@:3]1([H:9])[C-:4]([H:10])[N+:5]1=[C:6]([O:7][H:11])[H:12])[H:8],"InChI=1S/C4H5NO2/c6-2-4-1-5(4)3-7/h2-4H,1H2/t4-,5?/m1/s1","InChI=1S/C4H5NO2/c6-2-4-1-5(4)3-7/h1-4,7H/t4-/m1/s1",59.538169999999994,51.46968,
8968,[O:1]=[C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[N:5]1[C:6](=[O:7])[H:12])[H:8],[O:1]=[C:2]([C@@:3]1([H:9])[C-:4]([H:11])[N+:5]1([C:6](=[O:7])[H:12])[H:10])[H:8],"InChI=1S/C4H5NO2/c6-2-4-1-5(4)3-7/h2-4H,1H2/t4-,5?/m1/s1",InChI=1S/C4H5NO2/c6-2-4-1-5(4)3-7/h1-5H/t4-/m1/s1,69.59833,56.48611999999999,
8969,[O:1]=[C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[N:5]1[C:6](=[O:7])[H:12])[H:8],[O:1]1[C@:2]2([H:8])[C@@:3]3([H:9])[C:4]([H:10])([H:11])[N:5]3[C@:6]2([H:12])[O:7]1,"InChI=1S/C4H5NO2/c6-2-4-1-5(4)3-7/h2-4H,1H2/t4-,5?/m1/s1","InChI=1S/C4H5NO2/c1-2-3-4(5(1)2)7-6-3/h2-4H,1H2/t2-,3-,4-,5?/m1/s1",118.09266000000001,102.4073,
8970,[O:1]=[C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[N:5]1[C:6](=[O:7])[H:12])[H:8],[O:1](/[C:2](=[C:3]1\[C:4]([H:10])([H:11])[N:5]1[C:6](=[O:7])[H:12])[H:8])[H:9],"InChI=1S/C4H5NO2/c6-2-4-1-5(4)3-7/h2-4H,1H2/t4-,5?/m1/s1","InChI=1S/C4H5NO2/c6-2-4-1-5(4)3-7/h2-3,6H,1H2/b4-2+",65.55156,15.6849,ketoenol
8971,[O:1]=[C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[N:5]1[C:6](=[O:7])[H:12])[H:8],[O:1]1[C:2]([H:8])=[C:3]([H:9])[C:4]([H:10])([H:11])[N:5]1[C:6](=[O:7])[H:12],"InChI=1S/C4H5NO2/c6-2-4-1-5(4)3-7/h2-4H,1H2/t4-,5?/m1/s1","InChI=1S/C4H5NO2/c6-4-5-2-1-3-7-5/h1,3-4H,2H2",45.02279,19.99115,ketoenol
8972,[O:1]=[C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[N:5]1[C:6](=[O:7])[H:12])[H:8],[C:6](=[O:7])([H:11])[H:12].[O:1]=[C:2]([C@@:3]1([H:9])[C:4]([H:10])=[N:5]1)[H:8],"InChI=1S/C4H5NO2/c6-2-4-1-5(4)3-7/h2-4H,1H2/t4-,5?/m1/s1",InChI=1S/C3H3NO.CH2O/c5-2-3-1-4-3;1-2/h1-3H;1H2/t3-;/m1./s1,74.59812,40.30425,
8973,[O:1]=[C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[N:5]1[C:6](=[O:7])[H:12])[H:8],[C:4](=[N:5][C:6](=[O:7])[H:12])([H:10])[H:11].[O:1]=[C:2]=[C:3]([H:8])[H:9],"InChI=1S/C4H5NO2/c6-2-4-1-5(4)3-7/h2-4H,1H2/t4-,5?/m1/s1","InChI=1S/C2H3NO.C2H2O/c1-3-2-4;1-2-3/h2H,1H2;1H2",54.8837,7.16772,
8974,[O:1]=[C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[N:5]1[C:6](=[O:7])[H:12])[H:8],[O-:1][C:2](=[C:3]([N+:5](=[C:4]([H:10])[H:11])[C:6](=[O:7])[H:12])[H:9])[H:8],"InChI=1S/C4H5NO2/c6-2-4-1-5(4)3-7/h2-4H,1H2/t4-,5?/m1/s1","InChI=1S/C4H5NO2/c1-5(4-7)2-3-6/h2-4H,1H2",24.8772,12.650139999999999,
8975,[O:1]=[C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[N:5]1[C:6](=[O:7])[H:12])[H:8],[O-:1][C:2](=[C+:3][C:4]([N:5]([C:6](=[O:7])[H:12])[H:9])([H:10])[H:11])[H:8],"InChI=1S/C4H5NO2/c6-2-4-1-5(4)3-7/h2-4H,1H2/t4-,5?/m1/s1","InChI=1S/C4H5NO2/c6-3-1-2-5-4-7/h3-4H,2H2,(H-,5,6,7)",63.467209999999994,48.22958,
8976,[O:1]=[C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[N:5]1[C:6](=[O:7])[H:12])[H:8],[O:1](/[C:2](=[C:3](\[N:5]=[C:4]([H:10])[H:11])[H:9])[H:8])[C:6](=[O:7])[H:12],"InChI=1S/C4H5NO2/c6-2-4-1-5(4)3-7/h2-4H,1H2/t4-,5?/m1/s1","InChI=1S/C4H5NO2/c1-5-2-3-7-4-6/h2-4H,1H2/b3-2-",49.03517,-4.20681,
8977,[O:1]=[C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[N:5]1[C:6](=[O:7])[H:12])[H:8],[O:1]1[C@:2](/[C:3](=[N:5]\[C:6](=[O:7])[H:12])[H:9])([H:8])[C:4]1([H:10])[H:11],"InChI=1S/C4H5NO2/c6-2-4-1-5(4)3-7/h2-4H,1H2/t4-,5?/m1/s1","InChI=1S/C4H5NO2/c6-3-5-1-4-2-7-4/h1,3-4H,2H2/b5-1-/t4-/m0/s1",57.84118,9.36995,
8978,[O:1]=[C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[N:5]1[C:6](=[O:7])[H:12])[H:8],[O:1]=[C:2]([O:7][C@:6]1([H:12])[C:4]([H:10])([H:11])[C:3]([H:9])=[N:5]1)[H:8],"InChI=1S/C4H5NO2/c6-2-4-1-5(4)3-7/h2-4H,1H2/t4-,5?/m1/s1","InChI=1S/C4H5NO2/c6-3-7-4-1-2-5-4/h2-4H,1H2/t4-/m1/s1",81.54265,3.8019199999999995,
8979,[O:1]=[C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[N:5]1[C:6](=[O:7])[H:12])[H:8],[O:1]([C:2][C@@:3]1([H:9])[C:4]([H:10])([H:11])[N:5]1[C:6](=[O:7])[H:12])[H:8],"InChI=1S/C4H5NO2/c6-2-4-1-5(4)3-7/h2-4H,1H2/t4-,5?/m1/s1","InChI=1S/C4H5NO2/c6-2-4-1-5(4)3-7/h3-4,6H,1H2/t4-,5?/m1/s1",78.88854,50.73713,
8980,[O:1]=[C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[N:5]1[C:6](=[O:7])[H:12])[H:8],[O:1]1[C:2]([H:8])=[C:3]([H:9])[N:5]2[C:4]([H:10])([H:11])[O:7][C@@:6]12[H:12],"InChI=1S/C4H5NO2/c6-2-4-1-5(4)3-7/h2-4H,1H2/t4-,5?/m1/s1","InChI=1S/C4H5NO2/c1-2-6-4-5(1)3-7-4/h1-2,4H,3H2/t4-/m1/s1",48.99692,19.698710000000002,
8981,[O:1]=[C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[N:5]1[C:6](=[O:7])[H:12])[H:8],[H:8][H:9].[O:1]=[C:2]=[C:3]1[C:4]([H:10])([H:11])[N:5]1[C:6](=[O:7])[H:12],"InChI=1S/C4H5NO2/c6-2-4-1-5(4)3-7/h2-4H,1H2/t4-,5?/m1/s1","InChI=1S/C4H3NO2.H2/c6-2-4-1-5(4)3-7;/h3H,1H2;1H",74.87903,43.39192,
8982,[O:1]=[C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[N:5]1[C:6](=[O:7])[H:12])[H:8],[H:8][H:11].[O+:1]#[C:2][C@@:3]1([H:9])[C-:4]([H:10])[N+:5]1=[C:6]([O-:7])[H:12],"InChI=1S/C4H5NO2/c6-2-4-1-5(4)3-7/h2-4H,1H2/t4-,5?/m1/s1","InChI=1S/C4H3NO2.H2/c6-2-4-1-5(4)3-7;/h1,3-4H;1H/t4-;/m1./s1",108.76534,75.948,
8983,[O:1]=[C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[N:5]1[C:6](=[O:7])[H:12])[H:8],[O:1]1[C@@:2]2([H:8])[C@@:3]([H:9])([C:4]1([H:10])[H:11])[N:5]=[C:6]([H:12])[O:7]2,"InChI=1S/C4H5NO2/c6-2-4-1-5(4)3-7/h2-4H,1H2/t4-,5?/m1/s1","InChI=1S/C4H5NO2/c1-3-4(6-1)7-2-5-3/h2-4H,1H2/t3-,4-/m1/s1",44.4948,0.02012,
8984,[O:1]=[C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[N:5]1[C:6](=[O:7])[H:12])[H:8],[O:1]=[C:2]([O:7][C:6](=[N+:5]1[C-:3]([H:9])[C:4]1([H:10])[H:11])[H:12])[H:8],"InChI=1S/C4H5NO2/c6-2-4-1-5(4)3-7/h2-4H,1H2/t4-,5?/m1/s1","InChI=1S/C4H5NO2/c6-4-7-3-5-1-2-5/h1,3-4H,2H2",63.31823000000001,50.31307,
8985,[O:1]=[C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[N:5]1[C:6](=[O:7])[H:12])[H:8],[O:1]1[C@@:2]2([H:8])[C@@:3]3([H:9])[C:4]([H:10])([H:11])[N:5]3[C@:6]1([H:12])[O:7]2,"InChI=1S/C4H5NO2/c6-2-4-1-5(4)3-7/h2-4H,1H2/t4-,5?/m1/s1","InChI=1S/C4H5NO2/c1-2-3-6-4(7-3)5(1)2/h2-4H,1H2/t2-,3-,4+,5?/m1/s1",67.18415999999999,48.66554,
8986,[O:1]=[C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[N:5]1[C:6](=[O:7])[H:12])[H:8],[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[N:5]=[C:6]([H:12])[O:7]1,"InChI=1S/C4H5NO2/c6-2-4-1-5(4)3-7/h2-4H,1H2/t4-,5?/m1/s1","InChI=1S/C4H5NO2/c6-4-1-2-5-3-7-4/h3H,1-2H2",50.19908,-33.4359,
8987,[O:1]=[C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[N:5]1[C:6](=[O:7])[H:12])[H:8],[C:6](=[O:7])([H:9])[H:12].[O:1]=[C:2]([C:3]1=[N:5][C:4]1([H:10])[H:11])[H:8],"InChI=1S/C4H5NO2/c6-2-4-1-5(4)3-7/h2-4H,1H2/t4-,5?/m1/s1","InChI=1S/C3H3NO.CH2O/c5-2-3-1-4-3;1-2/h2H,1H2;1H2",74.78501,45.68736,
8988,[O:1]=[C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[N:5]1[C:6](=[O:7])[H:12])[H:8],[O:1]=[C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[N:5]=[C:6]([H:12])[O:7]1)[H:8],"InChI=1S/C4H5NO2/c6-2-4-1-5(4)3-7/h2-4H,1H2/t4-,5?/m1/s1","InChI=1S/C4H5NO2/c6-2-4-1-5-3-7-4/h2-4H,1H2/t4-/m1/s1",31.097040000000003,-12.48287,ketoenol
8989,[O:1]=[C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[N:5]1[C:6](=[O:7])[H:12])[H:8],[O:1]=[C:2]([C@@:3]([C:4]([H:10])([H:11])[H:12])([N:5]=[C:6]=[O:7])[H:9])[H:8],"InChI=1S/C4H5NO2/c6-2-4-1-5(4)3-7/h2-4H,1H2/t4-,5?/m1/s1","InChI=1S/C4H5NO2/c1-4(2-6)5-3-7/h2,4H,1H3/t4-/m1/s1",51.48918,-31.34045,
8990,[O:1]=[C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[N:5]1[C:6](=[O:7])[H:12])[H:8],[O:1]1[C@:2]2([H:8])[C@@:3]1([H:9])[N+:5]([C-:4]([H:10])[H:11])=[C:6]([H:12])[O:7]2,"InChI=1S/C4H5NO2/c6-2-4-1-5(4)3-7/h2-4H,1H2/t4-,5?/m1/s1","InChI=1S/C4H5NO2/c1-5-2-6-4-3(5)7-4/h2-4H,1H2/t3-,4+/m0/s1",73.71993,55.59205,
8991,[O:1]=[C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[N:5]1[C:6](=[O:7])[H:12])[H:8],[O:1]=[C:2]=[C:3]([C:4]([N:5]1[C:6]([H:8])([H:12])[O:7]1)([H:10])[H:11])[H:9],"InChI=1S/C4H5NO2/c6-2-4-1-5(4)3-7/h2-4H,1H2/t4-,5?/m1/s1","InChI=1S/C4H5NO2/c6-3-1-2-5-4-7-5/h1H,2,4H2",71.86527,48.778929999999995,
8992,[O:1]=[C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[N:5]1[C:6](=[O:7])[H:12])[H:8],[O+:1]1=[C:4]([H:10])[C:3](/[N:5]=[C:6](\[O:7][H:11])[H:12])([H:9])[C-:2]1[H:8],"InChI=1S/C4H5NO2/c6-2-4-1-5(4)3-7/h2-4H,1H2/t4-,5?/m1/s1","InChI=1S/C4H5NO2/c6-3-5-4-1-7-2-4/h1-4H,(H,5,6)",82.91189,66.93235,
8993,[O:1]=[C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[N:5]1[C:6](=[O:7])[H:12])[H:8],[O-:1][C:2](=[C:3]1[C:4]([H:10])([H:11])[N+:5]1=[C:6]([O:7][H:9])[H:12])[H:8],"InChI=1S/C4H5NO2/c6-2-4-1-5(4)3-7/h2-4H,1H2/t4-,5?/m1/s1","InChI=1S/C4H5NO2/c6-2-4-1-5(4)3-7/h2-3,6H,1H2",52.47093,37.90905,
8994,[O:1]=[C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[N:5]1[C:6](=[O:7])[H:12])[H:8],[O+:1](=[C-:2][H:8])[C@@:3]1([H:9])[C:4]([H:10])([H:11])[N:5]1[C:6](=[O:7])[H:12],"InChI=1S/C4H5NO2/c6-2-4-1-5(4)3-7/h2-4H,1H2/t4-,5?/m1/s1","InChI=1S/C4H5NO2/c1-7-4-2-5(4)3-6/h1,3-4H,2H2/t4-,5?/m0/s1",101.03329000000001,69.30797,
8995,[O:1]=[C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[N:5]1[C:6](=[O:7])[H:12])[H:8],[N:5](=[C:6]=[O:7])[H:12].[O:1]=[C:2]([C:3](=[C:4]([H:10])[H:11])[H:9])[H:8],"InChI=1S/C4H5NO2/c6-2-4-1-5(4)3-7/h2-4H,1H2/t4-,5?/m1/s1","InChI=1S/C3H4O.CHNO/c1-2-3-4;2-1-3/h2-3H,1H2;2H",45.28887,-19.147389999999998,
8996,[O:1]=[C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[N:5]1[C:6](=[O:7])[H:12])[H:8],[O:1]1[C@:2]2([H:8])[C@@:3]3([H:9])[C:4]([H:10])([H:11])[C@:6]([H:12])([N:5]13)[O:7]2,"InChI=1S/C4H5NO2/c6-2-4-1-5(4)3-7/h2-4H,1H2/t4-,5?/m1/s1","InChI=1S/C4H5NO2/c1-2-4-6-3(1)5(2)7-4/h2-4H,1H2/t2-,3-,4-/m1/s1",95.65597,66.87747,
8997,[O:1]=[C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[N:5]1[C:6](=[O:7])[H:12])[H:8],[O:1]1[C@@:2]2([H:8])[C@@:3](/[N:5]=[C:6](\[O:7][H:11])[H:12])([H:9])[C@@:4]12[H:10],"InChI=1S/C4H5NO2/c6-2-4-1-5(4)3-7/h2-4H,1H2/t4-,5?/m1/s1","InChI=1S/C4H5NO2/c6-1-5-2-3-4(2)7-3/h1-4H,(H,5,6)/t2-,3-,4+",82.33684000000001,46.20731,
8998,[O:1]=[C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[N:5]1[C:6](=[O:7])[H:12])[H:8],[O:1]=[C:2]([C:3]([N:5]=[C:4]([H:10])[H:11])([C:6](=[O:7])[H:12])[H:9])[H:8],"InChI=1S/C4H5NO2/c6-2-4-1-5(4)3-7/h2-4H,1H2/t4-,5?/m1/s1","InChI=1S/C4H5NO2/c1-5-4(2-6)3-7/h2-4H,1H2",74.07222,0.61758,
8999,[O:1]=[C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[N:5]1[C:6](=[O:7])[H:12])[H:8],[O:1]1[C:2]([H:8])=[C:3]([H:9])[C:4]([H:10])([H:11])[N:5]2[C@@:6]1([H:12])[O:7]2,"InChI=1S/C4H5NO2/c6-2-4-1-5(4)3-7/h2-4H,1H2/t4-,5?/m1/s1","InChI=1S/C4H5NO2/c1-2-5-4(7-5)6-3-1/h1,3-4H,2H2/t4-,5?/m1/s1",56.684569999999994,39.611779999999996,
9000,[O:1]=[C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[N:5]1[C:6](=[O:7])[H:12])[H:8],[O:1]=[C:2]1[C@@:3]2([H:9])[C:4]([H:10])([H:11])[N:5]2[C@:6]1([O:7][H:8])[H:12],"InChI=1S/C4H5NO2/c6-2-4-1-5(4)3-7/h2-4H,1H2/t4-,5?/m1/s1","InChI=1S/C4H5NO2/c6-3-2-1-5(2)4(3)7/h2,4,7H,1H2/t2-,4+,5?/m1/s1",76.44293,19.47169,
9001,[C:1]([C:2]([C:3]([C@@:4]([C:5]([H:16])([H:17])[H:18])([C:6]#[N:7])[H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]([H:13])[H:14])[H:11])([H:8])([H:9])[H:10].[C:4]([C:5]([H:16])([H:17])[H:18])(=[C:6]=[N:7][H:12])[H:15],"InChI=1S/C6H11N/c1-3-4-6(2)5-7/h6H,3-4H2,1-2H3/t6-/m1/s1","InChI=1S/C3H5N.C3H6/c1-2-3-4;1-3-2/h2,4H,1H3;3H,1H2,2H3",53.5761,40.46991,Retroene
9002,[C:1]([C:2]([C:3]([C@@:4]([C:5]([H:16])([H:17])[H:18])([C:6]#[N:7])[H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]1([H:8])([H:10])[C:2]([H:11])([H:12])[C:3]([H:13])([H:14])[C@:4]([C:5]([H:16])([H:17])[H:18])([H:15])/[C:6]1=[N:7]/[H:9],"InChI=1S/C6H11N/c1-3-4-6(2)5-7/h6H,3-4H2,1-2H3/t6-/m1/s1","InChI=1S/C6H11N/c1-5-3-2-4-6(5)7/h5,7H,2-4H2,1H3/b7-6+/t5-/m1/s1",88.76472,0.03145,
9003,[C:1]([C:2]([C:3]([C@@:4]([C:5]([H:16])([H:17])[H:18])([C:6]#[N:7])[H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([C@@:4]([C:5]([H:16])([H:17])[H:18])([N+:7]#[C-:6])[H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H11N/c1-3-4-6(2)5-7/h6H,3-4H2,1-2H3/t6-/m1/s1","InChI=1S/C6H11N/c1-4-5-6(2)7-3/h6H,4-5H2,1-2H3/t6-/m1/s1",57.939840000000004,24.53282,
9004,[C:1]([C:2]([C:3]([C@@:4]([C:5]([H:16])([H:17])[H:18])([C:6]#[N:7])[H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:3]([C:2]([N:7]=[C:6]=[C:4]([C:5]([H:16])([H:17])[H:18])[H:15])([H:11])[H:12])([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C6H11N/c1-3-4-6(2)5-7/h6H,3-4H2,1-2H3/t6-/m1/s1","InChI=1S/C6H11N/c1-3-5-7-6-4-2/h3H,4,6H2,1-2H3",98.93276,24.72768,
9005,[C:1]([C:2]([C:3]([C@@:4]([C:5]([H:16])([H:17])[H:18])([C:6]#[N:7])[H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](=[C:2]([C:3]([C@@:4]([C:5]([H:16])([H:17])[H:18])(/[C:6](=[N:7]/[H:8])[H:11])[H:15])([H:13])[H:14])[H:12])([H:9])[H:10],"InChI=1S/C6H11N/c1-3-4-6(2)5-7/h6H,3-4H2,1-2H3/t6-/m1/s1","InChI=1S/C6H11N/c1-3-4-6(2)5-7/h3,5-7H,1,4H2,2H3/b7-5+/t6-/m1/s1",81.02973,19.9403,
9006,[C:1]([C:2]([C:3]([C@@:4]([C:5]([H:16])([H:17])[H:18])([C:6]#[N:7])[H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](=[C:2]([C:3]([C@@:4]([C:5]([H:16])([H:17])[H:18])([C:6]#[N:7])[H:15])([H:13])[H:14])[H:11])([H:9])[H:10].[H:8][H:12],"InChI=1S/C6H11N/c1-3-4-6(2)5-7/h6H,3-4H2,1-2H3/t6-/m1/s1","InChI=1S/C6H9N.H2/c1-3-4-6(2)5-7;/h3,6H,1,4H2,2H3;1H/t6-;/m1./s1",107.67692,31.180709999999998,
9007,[C:1]([C:2]([C:3]([C@@:4]([C:5]([H:16])([H:17])[H:18])([C:6]#[N:7])[H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@:3]1([H:13])[C@:4]([C:5]([H:16])([H:17])[H:18])([H:15])/[C:6]1=[N:7]/[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H11N/c1-3-4-6(2)5-7/h6H,3-4H2,1-2H3/t6-/m1/s1","InChI=1S/C6H11N/c1-3-5-4(2)6(5)7/h4-5,7H,3H2,1-2H3/b7-6-/t4-,5-/m1/s1",104.28881,31.76523,
9008,[C:1]([C:2]([C:3]([C@@:4]([C:5]([H:16])([H:17])[H:18])([C:6]#[N:7])[H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([C@@:4]1([H:15])[C:5]([H:16])([H:18])/[C:6]1=[N:7]\[H:17])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H11N/c1-3-4-6(2)5-7/h6H,3-4H2,1-2H3/t6-/m1/s1","InChI=1S/C6H11N/c1-2-3-5-4-6(5)7/h5,7H,2-4H2,1H3/b7-6+/t5-/m0/s1",105.32783,33.31702,
9009,[C:1]([C:2]([C:3]([C@@:4]([C:5]([H:16])([H:17])[H:18])([C:6]#[N:7])[H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([C+:4]=[C:6]=[N-:7])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10].[C:5]([H:15])([H:16])([H:17])[H:18],"InChI=1S/C6H11N/c1-3-4-6(2)5-7/h6H,3-4H2,1-2H3/t6-/m1/s1","InChI=1S/C5H7N.CH4/c1-2-3-4-5-6;/h2-3H2,1H3;1H4",79.25418,82.72368,
9010,[C:1]([C:2]([C:3]([C@@:4]([C:5]([H:16])([H:17])[H:18])([C:6]#[N:7])[H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([C@@:4]1([C:5]([H:16])([H:17])[H:18])[C:6][N:7]1[H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H11N/c1-3-4-6(2)5-7/h6H,3-4H2,1-2H3/t6-/m1/s1","InChI=1S/C6H11N/c1-3-4-6(2)5-7-6/h7H,3-4H2,1-2H3/t6-/m0/s1",91.5458,74.76035999999999,
9011,[C:1]([C:2]([C:3]([C@@:4]([C:5]([H:16])([H:17])[H:18])([C:6]#[N:7])[H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]1([H:9])([H:10])[C:2]([H:11])([H:12])[C:3]([H:13])([H:14])[C@:4]([C:5]([H:16])([H:17])[H:18])([H:15])[C:6][N:7]1[H:8],"InChI=1S/C6H11N/c1-3-4-6(2)5-7/h6H,3-4H2,1-2H3/t6-/m1/s1","InChI=1S/C6H11N/c1-6-3-2-4-7-5-6/h6-7H,2-4H2,1H3/t6-/m1/s1",88.48445,47.53395,
9012,[C:1]([C:2]([C:3]([C@@:4]([C:5]([H:16])([H:17])[H:18])([C:6]#[N:7])[H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([C:4]([C:5]([H:16])([H:17])[H:18])=[C:6]=[N:7][H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H11N/c1-3-4-6(2)5-7/h6H,3-4H2,1-2H3/t6-/m1/s1","InChI=1S/C6H11N/c1-3-4-6(2)5-7/h7H,3-4H2,1-2H3",81.42089,19.18742,
9013,[C:1]([C:2]([C:3]([C@@:4]([C:5]([H:16])([H:17])[H:18])([C:6]#[N:7])[H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C@:2]1([H:11])[C:3]([H:13])([H:14])[C@:4]([C:5]([H:16])([H:17])[H:18])([H:15])[C:6][N:7]1[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H11N/c1-3-4-6(2)5-7/h6H,3-4H2,1-2H3/t6-/m1/s1","InChI=1S/C6H11N/c1-5-3-6(2)7-4-5/h5-7H,3H2,1-2H3/t5-,6-/m1/s1",79.56945999999999,44.09929,
9014,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])([H:15])/[C:5]1=[N:6]\[O:7][H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]([C:3][H:13])(/[C:5]([C:4]([H:12])([H:14])[H:15])=[N:6]/[O:7][H:16])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-4-2-3-5(4)6-7/h4,7H,2-3H2,1H3/b6-5+/t4-/m0/s1","InChI=1S/C5H9NO/c1-4(2)5(3)6-7/h1,4,7H,2-3H3/b6-5+/t4-/m1/s1",77.28528,77.1457,
9015,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])([H:15])/[C:5]1=[N:6]\[O:7][H:16])([H:8])([H:9])[H:10],[C:1]([N:6]([C:5]1=[C:2]([H:11])[C:3]([H:12])([H:13])[C:4]1([H:14])[H:15])[O:7][H:16])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-4-2-3-5(4)6-7/h4,7H,2-3H2,1H3/b6-5+/t4-/m0/s1","InChI=1S/C5H9NO/c1-6(7)5-3-2-4-5/h3,7H,2,4H2,1H3",84.71337,22.50371,
9016,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])([H:15])/[C:5]1=[N:6]\[O:7][H:16])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:5]([N:6]([O:7][H:16])[H:11])[C:4]([H:14])([H:15])[C:3]1([H:12])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-4-2-3-5(4)6-7/h4,7H,2-3H2,1H3/b6-5+/t4-/m0/s1","InChI=1S/C5H9NO/c1-4-2-3-5(4)6-7/h6-7H,2-3H2,1H3",76.83426999999999,14.7918,
9017,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])([H:15])/[C:5]1=[N:6]\[O:7][H:16])([H:8])([H:9])[H:10],[C:1]1([H:8])([H:10])[C@@:2]2([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])([H:15])[C@@:5]12[N:6]=[O:7].[H:9][H:16],"InChI=1S/C5H9NO/c1-4-2-3-5(4)6-7/h4,7H,2-3H2,1H3/b6-5+/t4-/m0/s1","InChI=1S/C5H7NO.H2/c7-6-5-2-1-4(5)3-5;/h4H,1-3H2;1H/t4-,5-;/m1./s1",89.87175,53.37753000000001,
9018,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])([H:15])/[C:5]1=[N:6]\[O:7][H:16])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:11].[C:2]1[C:3]([H:12])([H:13])[C:4]([H:14])([H:15])/[C:5]1=[N:6]\[O:7][H:16],"InChI=1S/C5H9NO/c1-4-2-3-5(4)6-7/h4,7H,2-3H2,1H3/b6-5+/t4-/m0/s1","InChI=1S/C4H5NO.CH4/c6-5-4-2-1-3-4;/h6H,1-2H2;1H4/b5-4+;",79.65205999999999,45.28222,
9019,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])([H:15])/[C:5]1=[N:6]\[O:7][H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])([H:15])[C@@:5]1([N:6]=[O:7])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-4-2-3-5(4)6-7/h4,7H,2-3H2,1H3/b6-5+/t4-/m0/s1","InChI=1S/C5H9NO/c1-4-2-3-5(4)6-7/h4-5H,2-3H2,1H3/t4-,5-/m0/s1",65.25368,21.10315,ketoenol
9020,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])([H:15])/[C:5]1=[N:6]\[O:7][H:16])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]([H:12])[H:13])[H:11])([H:8])([H:9])[H:10].[C:4](=[C:5]=[N:6][O:7][H:16])([H:14])[H:15],"InChI=1S/C5H9NO/c1-4-2-3-5(4)6-7/h4,7H,2-3H2,1H3/b6-5+/t4-/m0/s1","InChI=1S/C3H6.C2H3NO/c1-3-2;1-2-3-4/h3H,1H2,2H3;4H,1H2",55.87286999999999,30.42258,
9021,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])([H:15])/[C:5]1=[N:6]\[O:7][H:16])([H:8])([H:9])[H:10],[C:1](=[C:2]([C@:3]1([H:13])[C:4]([H:14])([H:15])/[C:5]1=[N:6]\[O:7][H:16])[H:11])([H:9])[H:10].[H:8][H:12],"InChI=1S/C5H9NO/c1-4-2-3-5(4)6-7/h4,7H,2-3H2,1H3/b6-5+/t4-/m0/s1","InChI=1S/C5H7NO.H2/c1-2-4-3-5(4)6-7;/h2,4,7H,1,3H2;1H/b6-5+;/t4-;/m1./s1",101.72214,44.39825,
9022,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])([H:15])/[C:5]1=[N:6]\[O:7][H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:15])=[C:5]1[N:6]([O:7][H:16])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-4-2-3-5(4)6-7/h4,7H,2-3H2,1H3/b6-5+/t4-/m0/s1","InChI=1S/C5H9NO/c1-4-2-3-5(4)6-7/h3-4,6-7H,2H2,1H3/t4-/m0/s1",71.92257,17.24757,
9023,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])([H:15])/[C:5]1=[N:6]\[O:7][H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])([H:15])[C+:5]1[N:6]([O-:7])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-4-2-3-5(4)6-7/h4,7H,2-3H2,1H3/b6-5+/t4-/m0/s1","InChI=1S/C5H9NO/c1-4-2-3-5(4)6-7/h4,6H,2-3H2,1H3/t4-/m0/s1",49.14306,16.18834,
9024,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])([H:15])/[C:5]1=[N:6]\[O:7][H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@@:5]1([C+:4]([H:14])[H:15])[N-:6][O:7][H:16])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-4-2-3-5(4)6-7/h4,7H,2-3H2,1H3/b6-5+/t4-/m0/s1","InChI=1S/C5H9NO/c1-4-3-5(4,2)6-7/h4,7H,2-3H2,1H3/t4-,5+/m0/s1",63.02409,62.28505,
9025,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])([H:15])/[C:5]1=[N:6]\[O:7][H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])([H:15])[C:5]([O:7][H:16])=[N:6]1)([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-4-2-3-5(4)6-7/h4,7H,2-3H2,1H3/b6-5+/t4-/m0/s1","InChI=1S/C5H9NO/c1-4-2-3-5(7)6-4/h4H,2-3H2,1H3,(H,6,7)/t4-/m0/s1",61.212680000000006,-54.2155,
9026,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])([H:15])/[C:5]1=[N:6]\[O:7][H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C@:3]2([H:12])[C:4]([H:14])([H:15])[C@:5]12[N:6]=[O:7])([H:8])([H:9])[H:10].[H:13][H:16],"InChI=1S/C5H9NO/c1-4-2-3-5(4)6-7/h4,7H,2-3H2,1H3/b6-5+/t4-/m0/s1","InChI=1S/C5H7NO.H2/c1-3-4-2-5(3,4)6-7;/h3-4H,2H2,1H3;1H/t3-,4-,5-;/m0./s1",88.70188,60.906769999999995,
9027,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])([H:15])/[C:5]1=[N:6]\[O:7][H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C-:3]([H:12])[C:4]([H:14])([H:15])[C+:5]1[N:6]([O:7][H:16])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-4-2-3-5(4)6-7/h4,7H,2-3H2,1H3/b6-5+/t4-/m0/s1","InChI=1S/C5H9NO/c1-4-2-3-5(4)6-7/h2,4,6-7H,3H2,1H3/t4-/m0/s1",90.79213,84.73881999999999,
9028,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])([H:15])/[C:5]1=[N:6]\[O:7][H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]([C:3]([C:4]([H:14])([H:15])[H:16])([H:12])[H:13])([C:5]#[N+:6][O-:7])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-4-2-3-5(4)6-7/h4,7H,2-3H2,1H3/b6-5+/t4-/m0/s1","InChI=1S/C5H9NO/c1-3-5(2)4-6-7/h5H,3H2,1-2H3/t5-/m0/s1",49.2961,-0.28658,
9029,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])([H:15])/[C:5]1=[N:6]\[O:7][H:16])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:5]([N:6]=[O:7])[C:4]([H:14])([H:15])[C:3]1([H:12])[H:13])([H:8])([H:9])[H:10].[H:11][H:16],"InChI=1S/C5H9NO/c1-4-2-3-5(4)6-7/h4,7H,2-3H2,1H3/b6-5+/t4-/m0/s1","InChI=1S/C5H7NO.H2/c1-4-2-3-5(4)6-7;/h2-3H2,1H3;1H",83.25631,43.09701,
9030,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])([H:15])/[C:5]1=[N:6]\[O:7][H:16])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:12])([H:13])[H:15])(/[C:5]([C:4][H:14])=[N:6]/[O:7][H:16])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-4-2-3-5(4)6-7/h4,7H,2-3H2,1H3/b6-5+/t4-/m0/s1","InChI=1S/C5H9NO/c1-4(2)5(3)6-7/h3-4,7H,1-2H3/b6-5+",70.20185,73.77974,
9031,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])([H:15])/[C:5]1=[N:6]\[O:7][H:16])([H:8])([H:9])[H:10],[C:1]([C:2](/[C:5]([C:4]([C:3][H:13])([H:14])[H:15])=[N:6]/[O:7][H:16])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-4-2-3-5(4)6-7/h4,7H,2-3H2,1H3/b6-5+/t4-/m0/s1","InChI=1S/C5H9NO/c1-3-5(4-2)6-7/h1,7H,3-4H2,2H3/b6-5+",76.29016,77.85367,
9032,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])([H:15])/[C:5]1=[N:6]\[O:7][H:16])([H:8])([H:9])[H:10],[C:1](=[C:2]([C:3]([C:4]([C:5]#[N:6])([H:14])[H:15])([H:12])[H:13])[H:11])([H:9])[H:10].[O:7]([H:8])[H:16],"InChI=1S/C5H9NO/c1-4-2-3-5(4)6-7/h4,7H,2-3H2,1H3/b6-5+/t4-/m0/s1","InChI=1S/C5H7N.H2O/c1-2-3-4-5-6;/h2H,1,3-4H2;1H2",66.76205,-29.125190000000003,
9033,[N:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5]([O:6][H:12])[c:7]1[H:13])([H:8])[H:9],[N:1]([C:2]1=[C:3]([H:10])[N:4]([H:11])[C:5](=[O:6])[C:7]1([H:12])[H:13])([H:8])[H:9],"InChI=1S/C4H6N2O/c5-3-1-4(7)6-2-3/h1-2,6-7H,5H2","InChI=1S/C4H6N2O/c5-3-1-4(7)6-2-3/h2H,1,5H2,(H,6,7)",48.72035,-9.00955,ketoenol
9034,[N:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5]([O:6][H:12])[c:7]1[H:13])([H:8])[H:9],[N-:1]([C:2]1=[C:3]([H:10])[N:4]([H:11])[C+:5]([O:6][H:12])[C:7]1([H:8])[H:13])[H:9],"InChI=1S/C4H6N2O/c5-3-1-4(7)6-2-3/h1-2,6-7H,5H2","InChI=1S/C4H6N2O/c5-3-1-4(7)6-2-3/h2,5-7H,1H2",73.90825,35.58415,
9035,[N:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5]([O:6][H:12])[c:7]1[H:13])([H:8])[H:9],[N:1]([C:2]1=[C:7]([H:13])[C@:5]([O:6][H:12])([H:11])[N:4]=[C:3]1[H:10])([H:8])[H:9],"InChI=1S/C4H6N2O/c5-3-1-4(7)6-2-3/h1-2,6-7H,5H2","InChI=1S/C4H6N2O/c5-3-1-4(7)6-2-3/h1-2,4,7H,5H2/t4-/m1/s1",40.246829999999996,11.81906,
9036,[N:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5]([O:6][H:12])[c:7]1[H:13])([H:8])[H:9],[N+:1]1([H:8])([H:9])[C:2](=[C:7]([C:5](=[N:4][H:11])[O:6][H:12])[H:13])[C-:3]1[H:10],"InChI=1S/C4H6N2O/c5-3-1-4(7)6-2-3/h1-2,6-7H,5H2","InChI=1S/C4H6N2O/c5-4(7)1-3-2-6-3/h1-2H,6H2,(H2,5,7)",75.28781,74.31865,
9037,[N:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5]([O:6][H:12])[c:7]1[H:13])([H:8])[H:9],[N:1]([C:2]1=[C:7]([H:13])[C:5](=[O:6])[N:4]([H:11])[C:3]1([H:10])[H:12])([H:8])[H:9],"InChI=1S/C4H6N2O/c5-3-1-4(7)6-2-3/h1-2,6-7H,5H2","InChI=1S/C4H6N2O/c5-3-1-4(7)6-2-3/h1H,2,5H2,(H,6,7)",77.62971,-15.66898,
9038,[N:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5]([O:6][H:12])[c:7]1[H:13])([H:8])[H:9],[N:1]([C+:2]1[C@@:3]([O:6][H:12])([H:10])[N:4]([H:11])[C-:5]=[C:7]1[H:13])([H:8])[H:9],"InChI=1S/C4H6N2O/c5-3-1-4(7)6-2-3/h1-2,6-7H,5H2","InChI=1S/C4H6N2O/c5-3-1-2-6-4(3)7/h1,4,6-7H,5H2/t4-/m0/s1",110.7124,46.06859,
9039,[N:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5]([O:6][H:12])[c:7]1[H:13])([H:8])[H:9],[N:1]([C:2]1=[C:7]=[C:5]([O:6][H:12])[N:4]([H:11])[C:3]1([H:10])[H:13])([H:8])[H:9],"InChI=1S/C4H6N2O/c5-3-1-4(7)6-2-3/h1-2,6-7H,5H2","InChI=1S/C4H6N2O/c5-3-1-4(7)6-2-3/h6-7H,2,5H2",77.68868,33.49739,
9040,[N:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5]([O:6][H:12])[c:7]1[H:13])([H:8])[H:9],[N:1]([C:2]1=[C:3]([H:10])[N:4]([H:11])[C:5][C@@:7]1([O:6][H:12])[H:13])([H:8])[H:9],"InChI=1S/C4H6N2O/c5-3-1-4(7)6-2-3/h1-2,6-7H,5H2","InChI=1S/C4H6N2O/c5-3-1-6-2-4(3)7/h1,4,6-7H,5H2/t4-/m0/s1",84.71106,55.44388000000001,
9041,[N:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5]([O:6][H:12])[c:7]1[H:13])([H:8])[H:9],[N:1]([C@@:2]1([H:10])[C:3][N:4]([H:11])[C:5]([O:6][H:12])=[C:7]1[H:13])([H:8])[H:9],"InChI=1S/C4H6N2O/c5-3-1-4(7)6-2-3/h1-2,6-7H,5H2","InChI=1S/C4H6N2O/c5-3-1-4(7)6-2-3/h1,3,6-7H,5H2/t3-/m1/s1",57.2352,58.73301,Singlet_Carbene_Intra_Disproportionation
9042,[N:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5]([O:6][H:12])[c:7]1[H:13])([H:8])[H:9],[N:1]([C:2]1=[C:3]([H:10])[C@@:7]1(/[C:5](=[N:4]/[H:11])[O:6][H:12])[H:13])([H:8])[H:9],"InChI=1S/C4H6N2O/c5-3-1-4(7)6-2-3/h1-2,6-7H,5H2","InChI=1S/C4H6N2O/c5-3-1-2(3)4(6)7/h1-2H,5H2,(H2,6,7)/t2-/m0/s1",82.84268,37.84137,
9043,[N:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5]([O:6][H:12])[c:7]1[H:13])([H:8])[H:9],[N:1]([C:2]1=[C-:7][C@:5]([O:6][H:12])([H:13])[N:4]([H:11])[C+:3]1[H:10])([H:8])[H:9],"InChI=1S/C4H6N2O/c5-3-1-4(7)6-2-3/h1-2,6-7H,5H2","InChI=1S/C4H6N2O/c5-3-1-4(7)6-2-3/h2,4,6-7H,5H2/t4-/m1/s1",66.77759,65.21635,Singlet_Carbene_Intra_Disproportionation
9044,[N:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5]([O:6][H:12])[c:7]1[H:13])([H:8])[H:9],[N:1]([C:2]1=[C:3]([H:10])[N:4]([H:11])/[C:5]1=[C:7](\[O:6][H:12])[H:13])([H:8])[H:9],"InChI=1S/C4H6N2O/c5-3-1-4(7)6-2-3/h1-2,6-7H,5H2","InChI=1S/C4H6N2O/c5-3-1-6-4(3)2-7/h1-2,6-7H,5H2/b4-2-",145.62124,48.24564,
9045,[N:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5]([O:6][H:12])[c:7]1[H:13])([H:8])[H:9],[N:1]([C:2]1=[C:7]([H:13])[C:5]([O:6][H:12])=[N:4][C:3]1([H:10])[H:11])([H:8])[H:9],"InChI=1S/C4H6N2O/c5-3-1-4(7)6-2-3/h1-2,6-7H,5H2","InChI=1S/C4H6N2O/c5-3-1-4(7)6-2-3/h1H,2,5H2,(H,6,7)",37.86957,-1.8930900000000002,
9046,[N:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5]([O:6][H:12])[c:7]1[H:13])([H:8])[H:9],[N:1](=[C:2]1/[C:3]([H:9])([H:10])[N:4]([H:11])[C:5]([O:6][H:12])=[C:7]1[H:13])\[H:8],"InChI=1S/C4H6N2O/c5-3-1-4(7)6-2-3/h1-2,6-7H,5H2","InChI=1S/C4H6N2O/c5-3-1-4(7)6-2-3/h1,5-7H,2H2/b5-3+",59.00058000000001,0.81695,
9047,[N:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5]([O:6][H:12])[c:7]1[H:13])([H:8])[H:9],[N:1]([C@:3]1([H:10])[C-:2]=[C:7]([H:13])[C+:5]([O:6][H:12])[N:4]1[H:11])([H:8])[H:9],"InChI=1S/C4H6N2O/c5-3-1-4(7)6-2-3/h1-2,6-7H,5H2","InChI=1S/C4H6N2O/c5-3-1-2-4(7)6-3/h2-3,6-7H,5H2/t3-/m0/s1",77.73016,57.09376999999999,
9048,[N:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5]([O:6][H:12])[c:7]1[H:13])([H:8])[H:9],[N:1]([C@:2]1([H:13])[C+:3]([H:10])[N:4]([H:11])[C:5]([O:6][H:12])=[C-:7]1)([H:8])[H:9],"InChI=1S/C4H6N2O/c5-3-1-4(7)6-2-3/h1-2,6-7H,5H2","InChI=1S/C4H6N2O/c5-3-1-4(7)6-2-3/h2-3,6-7H,5H2/t3-/m0/s1",74.16225,77.23156,
9049,[N:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5]([O:6][H:12])[c:7]1[H:13])([H:8])[H:9],[N:1]([C:2](/[C:3](=[N:4]/[H:11])[H:10])=[C:7]=[C:5]([O:6][H:12])[H:13])([H:8])[H:9],"InChI=1S/C4H6N2O/c5-3-1-4(7)6-2-3/h1-2,6-7H,5H2","InChI=1S/C4H6N2O/c5-3-4(6)1-2-7/h2-3,5,7H,6H2/b5-3+",66.75891,39.37709,
9050,[N:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5]([O:6][H:12])[c:7]1[H:13])([H:8])[H:9],[N:1]([C:2]1=[C:7]([H:13])[C@@:5]2([O:6][H:12])[C@:3]1([H:10])[N:4]2[H:11])([H:8])[H:9],"InChI=1S/C4H6N2O/c5-3-1-4(7)6-2-3/h1-2,6-7H,5H2","InChI=1S/C4H6N2O/c5-2-1-4(7)3(2)6-4/h1,3,6-7H,5H2/t3-,4-/m1/s1",74.17073,65.58335,Intra_2+2_cycloaddition_Cd
9051,[N:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5]([O:6][H:12])[c:7]1[H:13])([H:8])[H:9],[N+:1]1([H:8])([H:9])[C:2]([C-:3]([N+:4](=[C-:5][O:6][H:12])[H:11])[H:10])=[C:7]1[H:13],"InChI=1S/C4H6N2O/c5-3-1-4(7)6-2-3/h1-2,6-7H,5H2","InChI=1S/C4H5N2O/c7-3-5-1-4-2-6-4/h1-2,5-7H/q-1/p+1",111.55165,117.92965,
9052,[C:1]([c:2]1[c:3]([H:11])[c:4]([N:5]([H:12])[H:13])[c:6]([H:14])[o:7]1)([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:3]=[C:4]([N:5]([H:12])[H:13])[C:6]([H:11])([H:14])[O:7]1)([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-5(6)3-7-4/h2-3H,6H2,1H3","InChI=1S/C5H7NO/c1-4-2-5(6)3-7-4/h3,6H2,1H3",85.64993,43.285540000000005,
9053,[C:1]([c:2]1[c:3]([H:11])[c:4]([N:5]([H:12])[H:13])[c:6]([H:14])[o:7]1)([H:8])([H:9])[H:10],[C:1](=[C:2]1[C:3]([H:8])([H:11])[C:4]([N:5]([H:12])[H:13])=[C:6]([H:14])[O:7]1)([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-5(6)3-7-4/h2-3H,6H2,1H3","InChI=1S/C5H7NO/c1-4-2-5(6)3-7-4/h3H,1-2,6H2",80.8948,17.30827,
9054,[C:1]([c:2]1[c:3]([H:11])[c:4]([N:5]([H:12])[H:13])[c:6]([H:14])[o:7]1)([H:8])([H:9])[H:10],[C:1](=[C:2](/[C:3](=[C:4](/[N:5]([H:12])[H:13])[C:6](=[O:7])[H:14])[H:11])[H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-5(6)3-7-4/h2-3H,6H2,1H3","InChI=1S/C5H7NO/c1-2-3-5(6)4-7/h2-4H,1,6H2/b5-3+",77.19049,10.82703,
9055,[C:1]([c:2]1[c:3]([H:11])[c:4]([N:5]([H:12])[H:13])[c:6]([H:14])[o:7]1)([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:3](/[C:4]([N:5]([H:12])[H:13])=[C:6])[H:11])[O:7][H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-5(6)3-7-4/h2-3H,6H2,1H3","InChI=1S/C5H7NO/c1-4(6)3-5(2)7/h3,7H,6H2,2H3/b5-3-",86.10367,86.04179,
9056,[C:1]([c:2]1[c:3]([H:11])[c:4]([N:5]([H:12])[H:13])[c:6]([H:14])[o:7]1)([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:3]([H:11])[C@@:4]([N:5]([H:12])[H:13])([H:14])[C-:6]=[O+:7]1)([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-5(6)3-7-4/h2-3H,6H2,1H3","InChI=1S/C5H7NO/c1-4-2-5(6)3-7-4/h2,5H,6H2,1H3/t5-/m0/s1",63.82416,65.50635,Singlet_Carbene_Intra_Disproportionation
9057,[C:1]([c:2]1[c:3]([H:11])[c:4]([N:5]([H:12])[H:13])[c:6]([H:14])[o:7]1)([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:3]1([H:11])[C:4]([N:5]([H:12])[H:13])=[C:6]1[H:14])=[O:7])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-5(6)3-7-4/h2-3H,6H2,1H3","InChI=1S/C5H7NO/c1-3(7)4-2-5(4)6/h2,4H,6H2,1H3/t4-/m0/s1",67.33936,36.82342,ketoenol
9058,[C:1]([c:2]1[c:3]([H:11])[c:4]([N:5]([H:12])[H:13])[c:6]([H:14])[o:7]1)([H:8])([H:9])[H:10],[C:1](=[C:2]1[C:3]([H:11])=[C:4]([N:5]([H:12])[H:13])[C:6]([H:8])([H:14])[O:7]1)([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-5(6)3-7-4/h2-3H,6H2,1H3","InChI=1S/C5H7NO/c1-4-2-5(6)3-7-4/h2H,1,3,6H2",76.6995,9.223930000000001,Intra_ene_reaction
9059,[C:1]([c:2]1[c:3]([H:11])[c:4]([N:5]([H:12])[H:13])[c:6]([H:14])[o:7]1)([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:3]([H:11])/[C:4](=[N:5]\[H:12])[C:6]([H:13])([H:14])[O:7]1)([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-5(6)3-7-4/h2-3H,6H2,1H3","InChI=1S/C5H7NO/c1-4-2-5(6)3-7-4/h2,6H,3H2,1H3/b6-5+",63.014019999999995,2.24369,
9060,[C:1]([c:2]1[c:3]([H:11])[c:4]([N:5]([H:12])[H:13])[c:6]([H:14])[o:7]1)([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]=[C:4]([N:5]([H:12])[H:13])[C:6](=[O:7])[H:14])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-5(6)3-7-4/h2-3H,6H2,1H3","InChI=1S/C5H7NO/c1-2-3-5(6)4-7/h2,4H,6H2,1H3",67.02025,26.5665,
9061,[C:1]([c:2]1[c:3]([H:11])[c:4]([N:5]([H:12])[H:13])[c:6]([H:14])[o:7]1)([H:8])([H:9])[H:10],[C:1]([C:2]1=[O+:7][C:6]([H:14])=[C:4]([N-:5][H:13])[C:3]1([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-5(6)3-7-4/h2-3H,6H2,1H3","InChI=1S/C5H7NO/c1-4-2-5(6)3-7-4/h3,6H,2H2,1H3",83.61757,41.55413,
9062,[C:1]([c:2]1[c:3]([H:11])[c:4]([N:5]([H:12])[H:13])[c:6]([H:14])[o:7]1)([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:3]([H:11])[C@@:4]1([N:5]([H:12])[H:13])[C:6](=[O:7])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-5(6)3-7-4/h2-3H,6H2,1H3","InChI=1S/C5H7NO/c1-4-2-5(4,6)3-7/h2-3H,6H2,1H3/t5-/m1/s1",66.6103,45.360640000000004,ketoenol
9063,[C:1]([c:2]1[c:3]([H:11])[c:4]([N:5]([H:12])[H:13])[c:6]([H:14])[o:7]1)([H:8])([H:9])[H:10],[C:1]([C@@:3]1([H:11])[C-:2]=[O+:7][C:6]([H:14])=[C:4]1[N:5]([H:12])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-5(6)3-7-4/h2-3H,6H2,1H3","InChI=1S/C5H7NO/c1-4-2-7-3-5(4)6/h3-4H,6H2,1H3/t4-/m0/s1",80.08100999999999,60.67,
9064,[C:1]([c:2]1[c:3]([H:11])[c:4]([N:5]([H:12])[H:13])[c:6]([H:14])[o:7]1)([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]([C:4]1=[C:6]([H:14])[N+:5]1([H:12])[H:13])[H:11])[O-:7])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-5(6)3-7-4/h2-3H,6H2,1H3","InChI=1S/C5H7NO/c1-4(7)2-5-3-6-5/h2-3,6-7H,1H3",67.84528,65.39358,
9065,[C:1]([c:2]1[c:3]([H:11])[c:4]([N:5]([H:12])[H:13])[c:6]([H:14])[o:7]1)([H:8])([H:9])[H:10],[C:1](=[C:2]1[C:3]([H:11])=[C:4]([N+:5]([H:8])([H:12])[H:13])[C-:6]([H:14])[O:7]1)([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-5(6)3-7-4/h2-3H,6H2,1H3","InChI=1S/C5H6NO/c1-4-2-5(6)3-7-4/h2-3H,1,6H2/q-1/p+1",131.59367,80.76397,
9066,[C:1]([N:2]1[C:3]([H:11])([H:12])[C@:4]1([C:5](=[O:6])[C:7]([H:14])([H:15])[H:16])[H:13])([H:8])([H:9])[H:10],[C:1]([N+:2](=[C:3]([H:11])[H:12])[C:4](=[C:5]([O-:6])[C:7]([H:14])([H:15])[H:16])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-4(7)5-3-6(5)2/h5H,3H2,1-2H3/t5-,6?/m0/s1","InChI=1S/C5H9NO/c1-5(7)4-6(2)3/h4H,2H2,1,3H3",30.06745,7.49458,
9067,[C:1]([N:2]1[C:3]([H:11])([H:12])[C@:4]1([C:5](=[O:6])[C:7]([H:14])([H:15])[H:16])[H:13])([H:8])([H:9])[H:10],[C:1]([N:2]1[C:3]([H:11])([H:12])[C:4]([H:13])=[C:5]([C:7]([H:14])([H:15])[H:16])[O:6]1)([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-4(7)5-3-6(5)2/h5H,3H2,1-2H3/t5-,6?/m0/s1","InChI=1S/C5H9NO/c1-5-3-4-6(2)7-5/h3H,4H2,1-2H3",49.25448,23.53059,ketoenol
9068,[C:1]([N:2]1[C:3]([H:11])([H:12])[C@:4]1([C:5](=[O:6])[C:7]([H:14])([H:15])[H:16])[H:13])([H:8])([H:9])[H:10],[C:1]([O:6][C@:5]1([C:7]([H:14])([H:15])[H:16])[N:2]2[C:3]([H:11])([H:12])[C@:4]21[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-4(7)5-3-6(5)2/h5H,3H2,1-2H3/t5-,6?/m0/s1","InChI=1S/C5H9NO/c1-5(7-2)4-3-6(4)5/h4H,3H2,1-2H3/t4-,5-,6?/m0/s1",89.89235,34.64152,
9069,[C:1]([N:2]1[C:3]([H:11])([H:12])[C@:4]1([C:5](=[O:6])[C:7]([H:14])([H:15])[H:16])[H:13])([H:8])([H:9])[H:10],[C:1]([N:2]1[C:3]([H:11])([H:12])[C@:4]1([C:5]([O:6][H:15])=[C:7]([H:14])[H:16])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-4(7)5-3-6(5)2/h5H,3H2,1-2H3/t5-,6?/m0/s1","InChI=1S/C5H9NO/c1-4(7)5-3-6(5)2/h5,7H,1,3H2,2H3/t5-,6?/m0/s1",63.42596999999999,10.45307,ketoenol
9070,[C:1]([N:2]1[C:3]([H:11])([H:12])[C@:4]1([C:5](=[O:6])[C:7]([H:14])([H:15])[H:16])[H:13])([H:8])([H:9])[H:10],[C:1]([N:2]([C:4](=[C:3]([H:11])[H:12])[H:13])[C:5](=[O:6])[C:7]([H:14])([H:15])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-4(7)5-3-6(5)2/h5H,3H2,1-2H3/t5-,6?/m0/s1","InChI=1S/C5H9NO/c1-4-6(3)5(2)7/h4H,1H2,2-3H3",66.86148,-22.43334,
9071,[C:1]([N:2]1[C:3]([H:11])([H:12])[C@:4]1([C:5](=[O:6])[C:7]([H:14])([H:15])[H:16])[H:13])([H:8])([H:9])[H:10],[C:1](/[N:2]=[C:4](/[C:3]([C:5](=[O:6])[C:7]([H:14])([H:15])[H:16])([H:11])[H:12])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-4(7)5-3-6(5)2/h5H,3H2,1-2H3/t5-,6?/m0/s1","InChI=1S/C5H9NO/c1-5(7)3-4-6-2/h4H,3H2,1-2H3/b6-4+",70.72731,-17.74537,
9072,[C:1]([N:2]1[C:3]([H:11])([H:12])[C@:4]1([C:5](=[O:6])[C:7]([H:14])([H:15])[H:16])[H:13])([H:8])([H:9])[H:10],[C:1]([N+:2]1([H:13])[C:3]([H:11])([H:12])[C:4]1=[C:5]([O-:6])[C:7]([H:14])([H:15])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-4(7)5-3-6(5)2/h5H,3H2,1-2H3/t5-,6?/m0/s1","InChI=1S/C5H9NO/c1-4(7)5-3-6(5)2/h7H,3H2,1-2H3",69.55578,31.583240000000004,
9073,[C:1]([N:2]1[C:3]([H:11])([H:12])[C@:4]1([C:5](=[O:6])[C:7]([H:14])([H:15])[H:16])[H:13])([H:8])([H:9])[H:10],[C:1]([N+:2]1([H:12])[C-:3]([H:11])[C@:4]1([C:5](=[O:6])[C:7]([H:14])([H:15])[H:16])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-4(7)5-3-6(5)2/h5H,3H2,1-2H3/t5-,6?/m0/s1","InChI=1S/C5H9NO/c1-4(7)5-3-6(5)2/h3,5-6H,1-2H3/t5-/m0/s1",64.73151,52.71675,
9074,[C:1]([N:2]1[C:3]([H:11])([H:12])[C@:4]1([C:5](=[O:6])[C:7]([H:14])([H:15])[H:16])[H:13])([H:8])([H:9])[H:10],[C:1]([C:3](/[N:2]=[C:4](\[C:5](=[O:6])[C:7]([H:14])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-4(7)5-3-6(5)2/h5H,3H2,1-2H3/t5-,6?/m0/s1","InChI=1S/C5H9NO/c1-3-6-4-5(2)7/h4H,3H2,1-2H3/b6-4-",83.91056,-11.72475,
9075,[C:1]([N:2]1[C:3]([H:11])([H:12])[C@:4]1([C:5](=[O:6])[C:7]([H:14])([H:15])[H:16])[H:13])([H:8])([H:9])[H:10],[C-:5]#[O+:6].[C:1]([N+:2]1([C:7]([H:14])([H:15])[H:16])[C:3]([H:11])([H:12])[C-:4]1[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-4(7)5-3-6(5)2/h5H,3H2,1-2H3/t5-,6?/m0/s1","InChI=1S/C4H9N.CO/c1-5(2)3-4-5;1-2/h3H,4H2,1-2H3;",83.84974,65.88333,
9076,[C:1]([N:2]1[C:3]([H:11])([H:12])[C@:4]1([C:5](=[O:6])[C:7]([H:14])([H:15])[H:16])[H:13])([H:8])([H:9])[H:10],[C:1]([N:2]([C:3]([C+:4]=[C:5]([O-:6])[C:7]([H:14])([H:15])[H:16])([H:11])[H:12])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-4(7)5-3-6(5)2/h5H,3H2,1-2H3/t5-,6?/m0/s1","InChI=1S/C5H9NO/c1-5(7)3-4-6-2/h6H,4H2,1-2H3",69.62634,51.25827,
9077,[C:1]([N:2]1[C:3]([H:11])([H:12])[C@:4]1([C:5](=[O:6])[C:7]([H:14])([H:15])[H:16])[H:13])([H:8])([H:9])[H:10],[C-:1]([N+:2]1=[C:3]([H:12])[C@:4]1([C:5](=[O:6])[C:7]([H:14])([H:15])[H:16])[H:13])([H:9])[H:10].[H:8][H:11],"InChI=1S/C5H9NO/c1-4(7)5-3-6(5)2/h5H,3H2,1-2H3/t5-,6?/m0/s1","InChI=1S/C5H7NO.H2/c1-4(7)5-3-6(5)2;/h3,5H,2H2,1H3;1H/t5-;/m0./s1",70.35808,65.01713000000001,
9078,[C:1]([N:2]1[C:3]([H:11])([H:12])[C@:4]1([C:5](=[O:6])[C:7]([H:14])([H:15])[H:16])[H:13])([H:8])([H:9])[H:10],[C:1]([N:2]1[C:3]([H:11])([H:12])[O:6][C:5]([C:7]([H:14])([H:15])[H:16])=[C:4]1[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-4(7)5-3-6(5)2/h5H,3H2,1-2H3/t5-,6?/m0/s1","InChI=1S/C5H9NO/c1-5-3-6(2)4-7-5/h3H,4H2,1-2H3",35.04875,-0.7398399999999999,ketoenol
9079,[C:1]([N:2]1[C:3]([H:11])([H:12])[C@:4]1([C:5](=[O:6])[C:7]([H:14])([H:15])[H:16])[H:13])([H:8])([H:9])[H:10],[C:1]([N+:2]1=[C:3]([H:12])[C@:4]1([C-:5]([O:6][H:11])[C:7]([H:14])([H:15])[H:16])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-4(7)5-3-6(5)2/h5H,3H2,1-2H3/t5-,6?/m0/s1","InChI=1S/C5H9NO/c1-4(7)5-3-6(5)2/h3,5,7H,1-2H3/t5-/m0/s1",92.34357,65.11591999999999,
9080,[C:1]([N:2]1[C:3]([H:11])([H:12])[C@:4]1([C:5](=[O:6])[C:7]([H:14])([H:15])[H:16])[H:13])([H:8])([H:9])[H:10],[C:1]([N:2]1[C:3]([H:11])([H:12])[C:4]1([H:13])[H:15])([H:8])([H:9])[H:10].[C:5](=[O:6])=[C:7]([H:14])[H:16],"InChI=1S/C5H9NO/c1-4(7)5-3-6(5)2/h5H,3H2,1-2H3/t5-,6?/m0/s1","InChI=1S/C3H7N.C2H2O/c1-4-2-3-4;1-2-3/h2-3H2,1H3;1H2",79.70138,26.32435,
9081,[C:1]([N:2]1[C:3]([H:11])([H:12])[C@:4]1([C:5](=[O:6])[C:7]([H:14])([H:15])[H:16])[H:13])([H:8])([H:9])[H:10],[C:1]([N-:2][O+:6]=[C:5]([C:4](=[C:3]([H:11])[H:12])[H:13])[C:7]([H:14])([H:15])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-4(7)5-3-6(5)2/h5H,3H2,1-2H3/t5-,6?/m0/s1","InChI=1S/C5H9NO/c1-4-5(2)7-6-3/h4H,1H2,2-3H3",92.84057,52.35952,
9082,[C:1]([N:2]1[C:3]([H:11])([H:12])[C@:4]1([C:5](=[O:6])[C:7]([H:14])([H:15])[H:16])[H:13])([H:8])([H:9])[H:10],[C:1]([N:2]1[C:3]([H:11])([H:12])/[C:4]1=[C:5](\[O:6][H:13])[C:7]([H:14])([H:15])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-4(7)5-3-6(5)2/h5H,3H2,1-2H3/t5-,6?/m0/s1","InChI=1S/C5H9NO/c1-4(7)5-3-6(5)2/h7H,3H2,1-2H3/b5-4+",62.34425,17.3647,ketoenol
9083,[C:1]([N:2]1[C:3]([H:11])([H:12])[C@:4]1([C:5](=[O:6])[C:7]([H:14])([H:15])[H:16])[H:13])([H:8])([H:9])[H:10],[C:1](=[N:2][C:3]([C:4](=[C:5]=[O:6])[H:13])([H:11])[H:12])([H:9])[H:10].[C:7]([H:8])([H:14])([H:15])[H:16],"InChI=1S/C5H9NO/c1-4(7)5-3-6(5)2/h5H,3H2,1-2H3/t5-,6?/m0/s1","InChI=1S/C4H5NO.CH4/c1-5-3-2-4-6;/h2H,1,3H2;1H4",86.62099,7.0229800000000004,
9084,[C:1]([N:2]1[C:3]([H:11])([H:12])[C@:4]1([C:5](=[O:6])[C:7]([H:14])([H:15])[H:16])[H:13])([H:8])([H:9])[H:10],[C:1]([C@@:4]([N:2]=[C:3]([H:11])[H:12])([C:5](=[O:6])[C:7]([H:14])([H:15])[H:16])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-4(7)5-3-6(5)2/h5H,3H2,1-2H3/t5-,6?/m0/s1","InChI=1S/C5H9NO/c1-4(6-3)5(2)7/h4H,3H2,1-2H3/t4-/m1/s1",83.62513,-15.583820000000001,
9085,[C:1]([N:2]1[C:3]([H:11])([H:12])[C@:4]1([C:5](=[O:6])[C:7]([H:14])([H:15])[H:16])[H:13])([H:8])([H:9])[H:10],[C:1]([C:5](=[O:6])[C:7]([H:14])([H:15])[H:16])([H:8])([H:9])[H:10].[N:2]1=[C:4]([H:13])[C:3]1([H:11])[H:12],"InChI=1S/C5H9NO/c1-4(7)5-3-6(5)2/h5H,3H2,1-2H3/t5-,6?/m0/s1","InChI=1S/C3H6O.C2H3N/c1-3(2)4;1-2-3-1/h1-2H3;1H,2H2",90.49835,23.94339,
9086,[C:1]([N:2]1[C:3]([H:11])([H:12])[C@:4]1([C:5](=[O:6])[C:7]([H:14])([H:15])[H:16])[H:13])([H:8])([H:9])[H:10],[C:1]([N:2]=[C:3]([H:11])[H:12])([H:8])([H:9])[H:10].[C:4](=[C+:5][C:7]([H:14])([H:15])[H:16])([O-:6])[H:13],"InChI=1S/C5H9NO/c1-4(7)5-3-6(5)2/h5H,3H2,1-2H3/t5-,6?/m0/s1","InChI=1S/C3H4O.C2H5N/c1-2-3-4;1-3-2/h3H,1H3;1H2,2H3",78.24685,76.50168000000001,
9087,[C:1]([N:2]1[C:3]([H:11])([H:12])[C@:4]1([C:5](=[O:6])[C:7]([H:14])([H:15])[H:16])[H:13])([H:8])([H:9])[H:10],[C:1](=[N+:2]1[C:3]([H:11])([H:12])[C:4]1=[C:5]([O-:6])[C:7]([H:14])([H:15])[H:16])([H:9])[H:10].[H:8][H:13],"InChI=1S/C5H9NO/c1-4(7)5-3-6(5)2/h5H,3H2,1-2H3/t5-,6?/m0/s1","InChI=1S/C5H7NO.H2/c1-4(7)5-3-6(5)2;/h2-3H2,1H3;1H",64.08866,51.015409999999996,
9088,[C:1]([C:2]1([O:5][C:6](=[O:7])[H:15])[C:3]([H:11])([H:12])[C:4]1([H:13])[H:14])([H:8])([H:9])[H:10],[C:1]([O:5][C@:6]1([H:15])[C:2]2([C:3]([H:11])([H:12])[C:4]2([H:13])[H:14])[O:7]1)([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-5(2-3-5)7-4-6/h4H,2-3H2,1H3","InChI=1S/C5H8O2/c1-6-4-5(7-4)2-3-5/h4H,2-3H2,1H3/t4-/m0/s1",119.97379,49.271,
9089,[C:1]([C:2]1([O:5][C:6](=[O:7])[H:15])[C:3]([H:11])([H:12])[C:4]1([H:13])[H:14])([H:8])([H:9])[H:10],[C-:6]#[O+:7].[C:1]([H:8])([H:9])([H:10])[H:15].[C:2]1(=[O:5])[C:3]([H:11])([H:12])[C:4]1([H:13])[H:14],"InChI=1S/C5H8O2/c1-5(2-3-5)7-4-6/h4H,2-3H2,1H3",InChI=1S/C3H4O.CO.CH4/c4-3-1-2-3;1-2;/h1-2H2;;1H4,80.59993,27.505779999999998,
9090,[C:1]([C:2]1([O:5][C:6](=[O:7])[H:15])[C:3]([H:11])([H:12])[C:4]1([H:13])[H:14])([H:8])([H:9])[H:10],[C-:6]#[O+:7].[C:1]([C:2]1([O:5][H:15])[C:3]([H:11])([H:12])[C:4]1([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-5(2-3-5)7-4-6/h4H,2-3H2,1H3","InChI=1S/C4H8O.CO/c1-4(5)2-3-4;1-2/h5H,2-3H2,1H3;",61.6378,9.71495,"1,2_Insertion_CO"
9091,[C:1]([C:2]1([O:5][C:6](=[O:7])[H:15])[C:3]([H:11])([H:12])[C:4]1([H:13])[H:14])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3](=[C:4]([H:13])[H:14])[H:11])=[O:5])([H:8])([H:9])[H:10].[C:6](=[O:7])([H:12])[H:15],"InChI=1S/C5H8O2/c1-5(2-3-5)7-4-6/h4H,2-3H2,1H3","InChI=1S/C4H6O.CH2O/c1-3-4(2)5;1-2/h3H,1H2,2H3;1H2",60.741580000000006,16.99385,
9092,[C:1]([C:2]1([O:5][C:6](=[O:7])[H:15])[C:3]([H:11])([H:12])[C:4]1([H:13])[H:14])([H:8])([H:9])[H:10],[C:1](=[C:2]([C:4]([C:3]([H:9])([H:11])[H:12])([H:13])[H:14])[O:5][C:6](=[O:7])[H:15])([H:8])[H:10],"InChI=1S/C5H8O2/c1-5(2-3-5)7-4-6/h4H,2-3H2,1H3","InChI=1S/C5H8O2/c1-3-5(2)7-4-6/h4H,2-3H2,1H3",65.52837,-6.60739,
9093,[C:1]([C:2]1([O:5][C:6](=[O:7])[H:15])[C:3]([H:11])([H:12])[C:4]1([H:13])[H:14])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([C:4]([C:6](=[O:7])[H:15])([H:13])[H:14])([H:11])[H:12])=[O:5])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-5(2-3-5)7-4-6/h4H,2-3H2,1H3","InChI=1S/C5H8O2/c1-5(7)3-2-4-6/h4H,2-3H2,1H3",52.28705,-12.615960000000001,
9094,[C:1]([C:2]1([O:5][C:6](=[O:7])[H:15])[C:3]([H:11])([H:12])[C:4]1([H:13])[H:14])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:4]([H:13])[C:3]1([H:11])[H:12])([H:8])([H:9])[H:10].[O:5]=[C:6]([O:7][H:14])[H:15],"InChI=1S/C5H8O2/c1-5(2-3-5)7-4-6/h4H,2-3H2,1H3","InChI=1S/C4H6.CH2O2/c1-4-2-3-4;2-1-3/h2H,3H2,1H3;1H,(H,2,3)",46.26627,32.19747,Retroene
9095,[C:1]([C:2]1([O:5][C:6](=[O:7])[H:15])[C:3]([H:11])([H:12])[C:4]1([H:13])[H:14])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([O:7][C:6](=[O:5])[H:15])([H:11])[H:12])=[C:4]([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-5(2-3-5)7-4-6/h4H,2-3H2,1H3","InChI=1S/C5H8O2/c1-5(2)3-7-4-6/h4H,1,3H2,2H3",44.51847,-6.48925,
9096,[C:1]([C:2]1([O:5][C:6](=[O:7])[H:15])[C:3]([H:11])([H:12])[C:4]1([H:13])[H:14])([H:8])([H:9])[H:10],[C-:6]#[O+:7].[C:1]([C:2]([C:4]([C:3]([H:11])([H:12])[H:15])([H:13])[H:14])=[O:5])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-5(2-3-5)7-4-6/h4H,2-3H2,1H3","InChI=1S/C4H8O.CO/c1-3-4(2)5;1-2/h3H2,1-2H3;",46.74877,-11.56577,
9097,[C:1]([C:2]1([O:5][C:6](=[O:7])[H:15])[C:3]([H:11])([H:12])[C:4]1([H:13])[H:14])([H:8])([H:9])[H:10],[C:1]([O+:7]=[C:6]([O:5][C-:2]1[C:3]([H:11])([H:12])[C:4]1([H:13])[H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-5(2-3-5)7-4-6/h4H,2-3H2,1H3","InChI=1S/C5H8O2/c1-6-4-7-5-2-3-5/h4H,2-3H2,1H3",100.15115,90.34654,
9098,[C:1]([C:2]1([O:5][C:6](=[O:7])[H:15])[C:3]([H:11])([H:12])[C:4]1([H:13])[H:14])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3][H:11])([C:4]([H:12])([H:13])[H:14])[O:5][C:6](=[O:7])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-5(2-3-5)7-4-6/h4H,2-3H2,1H3","InChI=1S/C5H8O2/c1-5(2,3)7-4-6/h1,4H,2-3H3",65.97111,72.23234000000001,
9099,[C:1]([C:2]1([O:5][C:6](=[O:7])[H:15])[C:3]([H:11])([H:12])[C:4]1([H:13])[H:14])([H:8])([H:9])[H:10],[C:1]([C@:2]12[C@:3]([H:11])([C:4]1([H:13])[H:14])[C@:6]([O:7][H:12])([H:15])[O:5]2)([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-5(2-3-5)7-4-6/h4H,2-3H2,1H3","InChI=1S/C5H8O2/c1-5-2-3(5)4(6)7-5/h3-4,6H,2H2,1H3/t3-,4+,5-/m1/s1",102.68975999999999,27.577370000000002,
9100,[C:1]([C:2]1([O:5][C:6](=[O:7])[H:15])[C:3]([H:11])([H:12])[C:4]1([H:13])[H:14])([H:8])([H:9])[H:10],[C:1](=[C:2]1[C:3]([H:11])([H:12])[C:4]1([H:13])[H:14])([H:8])[H:10].[O:5]=[C:6]([O:7][H:9])[H:15],"InChI=1S/C5H8O2/c1-5(2-3-5)7-4-6/h4H,2-3H2,1H3","InChI=1S/C4H6.CH2O2/c1-4-2-3-4;2-1-3/h1-3H2;1H,(H,2,3)",41.599309999999996,20.661820000000002,Retroene
9101,[C:1]([C:2]1([O:5][C:6](=[O:7])[H:15])[C:3]([H:11])([H:12])[C:4]1([H:13])[H:14])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:13].[C:2]1([O:5][C:6](=[O:7])[H:15])=[C:4]([H:14])[C:3]1([H:11])[H:12],"InChI=1S/C5H8O2/c1-5(2-3-5)7-4-6/h4H,2-3H2,1H3","InChI=1S/C4H4O2.CH4/c5-3-6-4-1-2-4;/h1,3H,2H2;1H4",118.49999,45.63834,
9102,[C:1]([C:2]1([O:5][C:6](=[O:7])[H:15])[C:3]([H:11])([H:12])[C:4]1([H:13])[H:14])([H:8])([H:9])[H:10],[C:1]([C:2]1([O+:5]=[C-:6][O:7][H:15])[C:3]([H:11])([H:12])[C:4]1([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-5(2-3-5)7-4-6/h4H,2-3H2,1H3","InChI=1S/C5H8O2/c1-5(2-3-5)7-4-6/h6H,2-3H2,1H3",75.86348000000001,44.696059999999996,
9103,[C:1]([C:2]1([O:5][C:6](=[O:7])[H:15])[C:3]([H:11])([H:12])[C:4]1([H:13])[H:14])([H:8])([H:9])[H:10],[C:1]([C:2](=[O:5])[C:6](=[O:7])[H:15])([H:8])([H:9])[H:10].[C:3](=[C:4]([H:13])[H:14])([H:11])[H:12],"InChI=1S/C5H8O2/c1-5(2-3-5)7-4-6/h4H,2-3H2,1H3","InChI=1S/C3H4O2.C2H4/c1-3(5)2-4;1-2/h2H,1H3;1-2H2",65.43101999999999,17.33125,
9104,[C:1]([C:2]1([O:5][C:6](=[O:7])[H:15])[C:3]([H:11])([H:12])[C:4]1([H:13])[H:14])([H:8])([H:9])[H:10],[C:1]1([H:8])([H:10])[C:2]2([C:3]([H:11])([H:12])[C:4]2([H:13])[H:14])[O:5][C@:6]1([O:7][H:9])[H:15],"InChI=1S/C5H8O2/c1-5(2-3-5)7-4-6/h4H,2-3H2,1H3","InChI=1S/C5H8O2/c6-4-3-5(7-4)1-2-5/h4,6H,1-3H2/t4-/m1/s1",90.97951,26.331429999999997,
9105,[C:1]([C:2]1([O:5][C:6](=[O:7])[H:15])[C:3]([H:11])([H:12])[C:4]1([H:13])[H:14])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]([H:11])[H:12])[O:5][C:6](=[O:7])[H:15])([H:8])([H:9])[H:10].[C:4]([H:13])[H:14],"InChI=1S/C5H8O2/c1-5(2-3-5)7-4-6/h4H,2-3H2,1H3","InChI=1S/C4H6O2.CH2/c1-4(2)6-3-5;/h3H,1H2,2H3;1H2",97.36128000000001,110.2837,1+2_Cycloaddition
9106,[C:1]([C:2]1([O:5][C:6](=[O:7])[H:15])[C:3]([H:11])([H:12])[C:4]1([H:13])[H:14])([H:8])([H:9])[H:10],[C:1]([C:4]([C:3]([C-:2]=[O+:5][C:6](=[O:7])[H:15])([H:11])[H:12])([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-5(2-3-5)7-4-6/h4H,2-3H2,1H3","InChI=1S/C5H8O2/c1-2-3-4-7-5-6/h5H,2-3H2,1H3",88.84131,53.053619999999995,
9107,[C:1]([C:2]1([O:5][C:6](=[O:7])[H:15])[C:3]([H:11])([H:12])[C:4]1([H:13])[H:14])([H:8])([H:9])[H:10],[C:1]([C:2]1([O:5][C:6]([O:7][H:12])([H:14])[H:15])[C:3]([H:11])=[C:4]1[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-5(2-3-5)7-4-6/h4H,2-3H2,1H3","InChI=1S/C5H8O2/c1-5(2-3-5)7-4-6/h2-3,6H,4H2,1H3",79.60419,46.53376,
9108,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C@@:5]2([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C:5]([H:14])([H:17])[C:6]([H:15])([H:16])[C:7]1)([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-6-2-5(6)3-7-4/h4-6H,2-3H2,1H3/t4-,5-,6+/m1/s1","InChI=1S/C6H10O/c1-6-4-2-3-5-7-6/h6H,2-3,5H2,1H3/t6-/m1/s1",66.04802,66.3081,
9109,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C@@:5]2([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]([O+:3]=[C-:4][H:13])([C:7]1([H:17])[C:5]([H:12])([H:14])[C:6]1([H:15])[H:16])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-6-2-5(6)3-7-4/h4-6H,2-3H2,1H3/t4-,5-,6+/m1/s1","InChI=1S/C6H10O/c1-5(7-2)6-3-4-6/h2,5-6H,3-4H2,1H3/t5-/m1/s1",75.36134,64.639,
9110,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C@@:5]2([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C@:2]12[O:3][C:4]([H:12])([H:13])[C:5]([H:11])([H:14])[C@@:7]1([H:17])[C:6]2([H:15])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-6-2-5(6)3-7-4/h4-6H,2-3H2,1H3/t4-,5-,6+/m1/s1","InChI=1S/C6H10O/c1-6-4-5(6)2-3-7-6/h5H,2-4H2,1H3/t5-,6+/m0/s1",88.74429,2.0052,
9111,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C@@:5]2([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C:2]([O:3][C:4]([C:5]1([H:14])[C:6]([H:15])=[C:7]1[H:17])([H:12])[H:13])([H:11])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-6-2-5(6)3-7-4/h4-6H,2-3H2,1H3/t4-,5-,6+/m1/s1","InChI=1S/C6H10O/c1-2-7-5-6-3-4-6/h3-4,6H,2,5H2,1H3",91.6912,45.02278,
9112,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C@@:5]2([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:7](\[C:6]([C:5]([C:4](=[O:3])[H:12])([H:13])[H:14])([H:15])[H:16])[H:17])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-6-2-5(6)3-7-4/h4-6H,2-3H2,1H3/t4-,5-,6+/m1/s1","InChI=1S/C6H10O/c1-2-3-4-5-6-7/h2-3,6H,4-5H2,1H3/b3-2-",55.694880000000005,-8.44431,
9113,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C@@:5]2([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:7]([C:2](=[O:3])[H:11])([C:6]([C:5](=[C:4]([H:12])[H:13])[H:14])([H:15])[H:16])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-6-2-5(6)3-7-4/h4-6H,2-3H2,1H3/t4-,5-,6+/m1/s1","InChI=1S/C6H10O/c1-3-4-6(2)5-7/h3,5-6H,1,4H2,2H3/t6-/m1/s1",58.49013000000001,-6.35056,
9114,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C@@:5]2([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C-:2]1=[O+:3][C:4]([H:12])([H:13])[C@@:5]2([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17].[C:1]([H:8])([H:9])([H:10])[H:11],"InChI=1S/C6H10O/c1-4-6-2-5(6)3-7-4/h4-6H,2-3H2,1H3/t4-,5-,6+/m1/s1","InChI=1S/C5H6O.CH4/c1-4-2-6-3-5(1)4;/h4-5H,1-2H2;1H4/t4-,5+;/m1./s1",72.72915,54.19817,
9115,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C@@:5]2([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:13])=[C:5]2[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10].[H:12][H:14],"InChI=1S/C6H10O/c1-4-6-2-5(6)3-7-4/h4-6H,2-3H2,1H3/t4-,5-,6+/m1/s1","InChI=1S/C6H8O.H2/c1-4-6-2-5(6)3-7-4;/h3-4,6H,2H2,1H3;1H/t4-,6+;/m1./s1",102.52046,57.939659999999996,
9116,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C@@:5]2([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]([O:3][H:15])(/[C:7](=[C:6](\[C:5](=[C:4]([H:12])[H:13])[H:14])[H:16])[H:17])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-6-2-5(6)3-7-4/h4-6H,2-3H2,1H3/t4-,5-,6+/m1/s1","InChI=1S/C6H10O/c1-3-4-5-6(2)7/h3-7H,1H2,2H3/b5-4-/t6-/m1/s1",83.61929,-0.023209999999999998,
9117,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C@@:5]2([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[O+:3]=[C-:4][C@@:5]2([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10].[H:12][H:13],"InChI=1S/C6H10O/c1-4-6-2-5(6)3-7-4/h4-6H,2-3H2,1H3/t4-,5-,6+/m1/s1","InChI=1S/C6H8O.H2/c1-4-6-2-5(6)3-7-4;/h4-6H,2H2,1H3;1H/t4-,5-,6+;/m1./s1",72.61542,64.63974,
9118,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C@@:5]2([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:7]1/[C@:5]([C:4]([O:3][H:17])([H:12])[H:13])([H:14])[C:6]1([H:15])[H:16])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-6-2-5(6)3-7-4/h4-6H,2-3H2,1H3/t4-,5-,6+/m1/s1","InChI=1S/C6H10O/c1-2-5-3-6(5)4-7/h2,6-7H,3-4H2,1H3/b5-2+/t6-/m1/s1",105.48789,14.95328,
9119,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C@@:5]2([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1](=[C:2]([O:3][C:4]([C:5]1([H:14])[C:6]([H:16])=[C:7]1[H:17])([H:12])[H:13])[H:11])([H:9])[H:10].[H:8][H:15],"InChI=1S/C6H10O/c1-4-6-2-5(6)3-7-4/h4-6H,2-3H2,1H3/t4-,5-,6+/m1/s1","InChI=1S/C6H8O.H2/c1-2-7-5-6-3-4-6;/h2-4,6H,1,5H2;1H",94.70845,71.34231,
9120,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C@@:5]2([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C@:5]([C:6]([H:15])([H:16])[H:17])([H:14])[C:7]1)([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-6-2-5(6)3-7-4/h4-6H,2-3H2,1H3/t4-,5-,6+/m1/s1","InChI=1S/C6H10O/c1-5-3-6(2)7-4-5/h5-6H,4H2,1-2H3/t5-,6+/m0/s1",61.69931,63.460840000000005,
9121,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C@@:5]2([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C:2]([O:3][C:4]([C:5](=[C:6]([H:15])[H:16])[H:14])([H:12])[H:13])=[C:7]([H:11])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-6-2-5(6)3-7-4/h4-6H,2-3H2,1H3/t4-,5-,6+/m1/s1","InChI=1S/C6H10O/c1-4-5-7-6(2)3/h4H,1-2,5H2,3H3",77.07945,6.431769999999999,
9122,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C@@:5]2([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C-:2]=[O+:3][C:4]([C:5]1([H:14])[C:6]([H:15])([H:16])[C:7]1([H:11])[H:17])([H:12])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-6-2-5(6)3-7-4/h4-6H,2-3H2,1H3/t4-,5-,6+/m1/s1","InChI=1S/C6H10O/c1-2-7-5-6-3-4-6/h6H,3-5H2,1H3",71.76495,59.882540000000006,
9123,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C@@:5]2([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]([O:3][C:4](=[C:5]([H:12])[H:14])[H:13])([C:7](=[C:6]([H:15])[H:16])[H:17])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-6-2-5(6)3-7-4/h4-6H,2-3H2,1H3/t4-,5-,6+/m1/s1","InChI=1S/C6H10O/c1-4-6(3)7-5-2/h4-6H,1-2H2,3H3/t6-/m1/s1",79.68744000000001,7.356489999999999,
9124,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C@@:5]2([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[O:3][C@:4]2([H:13])[C@@:5]([H:14])([C:6]2([H:15])[H:16])[C:7]1([H:12])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-6-2-5(6)3-7-4/h4-6H,2-3H2,1H3/t4-,5-,6+/m1/s1","InChI=1S/C6H10O/c1-4-2-5-3-6(5)7-4/h4-6H,2-3H2,1H3/t4-,5-,6+/m1/s1",91.20013,4.16559,
9125,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C@@:5]2([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]1([H:9])([H:10])[C@@:2]2([H:11])[O:3][C:4]([H:12])([H:13])[C@:5]([C:6]([H:8])([H:15])[H:16])([H:14])[C@@:7]12[H:17],"InChI=1S/C6H10O/c1-4-6-2-5(6)3-7-4/h4-6H,2-3H2,1H3/t4-,5-,6+/m1/s1","InChI=1S/C6H10O/c1-4-3-7-6-2-5(4)6/h4-6H,2-3H2,1H3/t4-,5-,6-/m1/s1",82.6353,7.57442,
9126,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C@@:5]2([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]([O:3][C:4]([C:5][H:14])([H:12])[H:13])([C:7](=[C:6]([H:15])[H:16])[H:17])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-6-2-5(6)3-7-4/h4-6H,2-3H2,1H3/t4-,5-,6+/m1/s1","InChI=1S/C6H10O/c1-4-6(3)7-5-2/h2,4,6H,1,5H2,3H3/t6-/m1/s1",94.70237,94.79595,
9127,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C@@:5]2([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]([O:3][C:4]([H:12])([H:13])[H:16])([C:7]1([H:17])[C:5]([H:14])=[C:6]1[H:15])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-6-2-5(6)3-7-4/h4-6H,2-3H2,1H3/t4-,5-,6+/m1/s1","InChI=1S/C6H10O/c1-5(7-2)6-3-4-6/h3-6H,1-2H3/t5-/m1/s1",93.70189,44.75585,
9128,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C@@:5]2([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C:5][C@:7]1([C:6]([H:14])([H:15])[H:16])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-6-2-5(6)3-7-4/h4-6H,2-3H2,1H3/t4-,5-,6+/m1/s1","InChI=1S/C6H10O/c1-5-3-4-7-6(5)2/h5-6H,4H2,1-2H3/t5-,6-/m1/s1",62.026559999999996,63.7348,
9129,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C@@:5]2([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C-:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C@@:5]2([H:14])[C+:6]([H:15])[C@@:7]12[H:17])([H:9])[H:10].[H:8][H:16],"InChI=1S/C6H10O/c1-4-6-2-5(6)3-7-4/h4-6H,2-3H2,1H3/t4-,5-,6+/m1/s1","InChI=1S/C6H8O.H2/c1-4-6-2-5(6)3-7-4;/h2,4-6H,1,3H2;1H/t4-,5-,6+;/m1./s1",129.12046999999998,77.87261,
9130,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C@@:5]2([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C@:7]1([C:6]([C:5][H:14])([H:15])[H:16])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-6-2-5(6)3-7-4/h4-6H,2-3H2,1H3/t4-,5-,6+/m1/s1","InChI=1S/C6H10O/c1-3-6-4-7-5(6)2/h1,5-6H,3-4H2,2H3/t5-,6-/m1/s1",103.22394,98.16660999999999,
9131,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C@@:5]2([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:17].[C:2]1([H:11])=[C:7]2[C@@:5]([H:14])([C:4]([H:12])([H:13])[O:3]1)[C:6]2([H:15])[H:16],"InChI=1S/C6H10O/c1-4-6-2-5(6)3-7-4/h4-6H,2-3H2,1H3/t4-,5-,6+/m1/s1","InChI=1S/C5H6O.CH4/c1-4-2-6-3-5(1)4;/h2,5H,1,3H2;1H4/t5-;/m1./s1",92.14939,48.87554,
9132,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C@@:5]2([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:7]2[C@@:5]([H:14])([C:4]([H:12])([H:13])[O:3]1)[C:6]2([H:15])[H:16])([H:8])([H:9])[H:10].[H:11][H:17],"InChI=1S/C6H10O/c1-4-6-2-5(6)3-7-4/h4-6H,2-3H2,1H3/t4-,5-,6+/m1/s1","InChI=1S/C6H8O.H2/c1-4-6-2-5(6)3-7-4;/h5H,2-3H2,1H3;1H/t5-;/m1./s1",98.13996999999999,55.97843,
9133,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C@@:5]2([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:7]([H:17])[C:6]([H:15])([H:16])[C:5]([H:14])=[C:4]([H:13])[O:3]1)([H:8])([H:9])[H:10].[H:11][H:12],"InChI=1S/C6H10O/c1-4-6-2-5(6)3-7-4/h4-6H,2-3H2,1H3/t4-,5-,6+/m1/s1","InChI=1S/C6H8O.H2/c1-6-4-2-3-5-7-6;/h3-5H,2H2,1H3;1H",63.666509999999995,9.9324,
9134,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C@@:5]2([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1](/[C:2]([O:3][C:4]([H:11])([H:12])[H:13])=[C:7](/[C:5](=[C:6]([H:15])[H:16])[H:14])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-6-2-5(6)3-7-4/h4-6H,2-3H2,1H3/t4-,5-,6+/m1/s1","InChI=1S/C6H10O/c1-4-5-6(2)7-3/h4-5H,1H2,2-3H3/b6-5-",114.57303,6.51492,
9135,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C@@:5]2([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:7]([C:6](=[C:5](/[C:4]([O:3][H:15])([H:12])[H:13])[H:14])\[H:16])/[H:17])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-6-2-5(6)3-7-4/h4-6H,2-3H2,1H3/t4-,5-,6+/m1/s1","InChI=1S/C6H10O/c1-2-3-4-5-6-7/h2-5,7H,6H2,1H3/b3-2-,5-4-",82.21051999999999,2.08068,
9136,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C@@:5]2([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])[H:10].[C:2]1([H:11])([H:12])[O:3][C:4]([H:13])[C@@:5]2([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17],"InChI=1S/C6H10O/c1-4-6-2-5(6)3-7-4/h4-6H,2-3H2,1H3/t4-,5-,6+/m1/s1","InChI=1S/C5H7O.CH3/c1-4-2-6-3-5(1)4;/h2,4-5H,1,3H2;1H3/t4-,5+;/m1./s1",132.46898000000002,87.82008,
9137,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C@@:5]2([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[O+:3]=[C:4]([H:12])[C@@:5]2([H:14])[C-:6]([H:15])[C@@:7]12[H:17])([H:8])([H:9])[H:10].[H:13][H:16],"InChI=1S/C6H10O/c1-4-6-2-5(6)3-7-4/h4-6H,2-3H2,1H3/t4-,5-,6+/m1/s1","InChI=1S/C6H8O.H2/c1-4-6-2-5(6)3-7-4;/h2-6H,1H3;1H/t4-,5-,6+;/m1./s1",126.83298,79.62441,
9138,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C@@:5]2([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C:2](=[O:3])[H:11])([H:8])([H:9])[H:10].[C:4](=[C:5]([C:7](=[C:6]([H:15])[H:16])[H:17])[H:14])([H:12])[H:13],"InChI=1S/C6H10O/c1-4-6-2-5(6)3-7-4/h4-6H,2-3H2,1H3/t4-,5-,6+/m1/s1","InChI=1S/C4H6.C2H4O/c1-3-4-2;1-2-3/h3-4H,1-2H2;2H,1H3",65.83444,12.284880000000001,
9139,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C@@:5]2([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C:5][C:6]([H:15])([H:16])[C:7]1([H:14])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-6-2-5(6)3-7-4/h4-6H,2-3H2,1H3/t4-,5-,6+/m1/s1","InChI=1S/C6H10O/c1-6-4-2-3-5-7-6/h6H,2,4-5H2,1H3/t6-/m1/s1",65.75721,64.46816,
9140,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C@@:5]2([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C:6]([H:15])([H:16])[C:5]([H:14])=[C:7]1[H:17])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-6-2-5(6)3-7-4/h4-6H,2-3H2,1H3/t4-,5-,6+/m1/s1","InChI=1S/C6H10O/c1-6-4-2-3-5-7-6/h2,4,6H,3,5H2,1H3/t6-/m1/s1",82.19096,-7.754580000000001,
9141,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C@@:5]2([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C@@:5]([C:7][H:17])([H:14])[C:6]1([H:15])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-6-2-5(6)3-7-4/h4-6H,2-3H2,1H3/t4-,5-,6+/m1/s1","InChI=1S/C6H10O/c1-5-3-6(2)7-4-5/h1,5-6H,3-4H2,2H3/t5-,6-/m1/s1",114.12818,76.07032,
9142,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C@@:5]2([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C:6]([H:15])([H:16])[C@@:7]1([C:5][H:14])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-6-2-5(6)3-7-4/h4-6H,2-3H2,1H3/t4-,5-,6+/m1/s1","InChI=1S/C6H10O/c1-5-3-4-7-6(5)2/h1,5-6H,3-4H2,2H3/t5-,6+/m0/s1",113.3614,76.10004,
9143,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C@@:5]2([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]([O:3][C:4]([C:5](=[C:6]([H:15])[H:16])[H:14])([H:12])[H:13])([C:7][H:17])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-6-2-5(6)3-7-4/h4-6H,2-3H2,1H3/t4-,5-,6+/m1/s1","InChI=1S/C6H10O/c1-4-5-7-6(2)3/h2,4,6H,1,5H2,3H3/t6-/m0/s1",92.55351999999999,92.89459000000001,
9144,[N:1]([c:2]1[c:3]([H:10])[c:4]([N:5]([H:11])[H:12])[c:6]([H:13])[n:7]1[H:14])([H:8])[H:9],[N+:1]([C:2]1=[C:3]=[C:4]([N:5]([H:11])[H:12])[C-:6]([H:13])[N:7]1[H:14])([H:8])([H:9])[H:10],"InChI=1S/C4H7N3/c5-3-1-4(6)7-2-3/h1-2,7H,5-6H2","InChI=1S/C4H6N3/c5-3-1-4(6)7-2-3/h2,7H,5-6H2/q-1/p+1",83.00513000000001,82.37449000000001,
9145,[N:1]([c:2]1[c:3]([H:10])[c:4]([N:5]([H:11])[H:12])[c:6]([H:13])[n:7]1[H:14])([H:8])[H:9],[N:1]([C+:2]1[C:3]([H:10])([H:11])[C:4]([N-:5][H:12])=[C:6]([H:13])[N:7]1[H:14])([H:8])[H:9],"InChI=1S/C4H7N3/c5-3-1-4(6)7-2-3/h1-2,7H,5-6H2","InChI=1S/C4H7N3/c5-3-1-4(6)7-2-3/h2,5,7H,1,6H2",73.13922,33.63811,
9146,[N:1]([c:2]1[c:3]([H:10])[c:4]([N:5]([H:11])[H:12])[c:6]([H:13])[n:7]1[H:14])([H:8])[H:9],[N:1]([C+:2]1[C@@:3]([N:5]([H:11])[H:12])([H:10])[C-:4]=[C:6]([H:13])[N:7]1[H:14])([H:8])[H:9],"InChI=1S/C4H7N3/c5-3-1-4(6)7-2-3/h1-2,7H,5-6H2","InChI=1S/C4H7N3/c5-3-1-2-7-4(3)6/h2-3,7H,5-6H2/t3-/m1/s1",102.58677,67.30941,
9147,[N:1]([c:2]1[c:3]([H:10])[c:4]([N:5]([H:11])[H:12])[c:6]([H:13])[n:7]1[H:14])([H:8])[H:9],[N:1]([C:2]1=[N:7][C:6]([H:13])([H:14])[C:4]([N:5]([H:11])[H:12])=[C:3]1[H:10])([H:8])[H:9],"InChI=1S/C4H7N3/c5-3-1-4(6)7-2-3/h1-2,7H,5-6H2","InChI=1S/C4H7N3/c5-3-1-4(6)7-2-3/h1H,2,5H2,(H2,6,7)",36.0474,-4.2313,
9148,[N:1]([c:2]1[c:3]([H:10])[c:4]([N:5]([H:11])[H:12])[c:6]([H:13])[n:7]1[H:14])([H:8])[H:9],[N:1]([C:2]1=[C-:3][C@@:4]([N:5]([H:11])[H:12])([H:10])[C+:6]([H:13])[N:7]1[H:14])([H:8])[H:9],"InChI=1S/C4H7N3/c5-3-1-4(6)7-2-3/h1-2,7H,5-6H2","InChI=1S/C4H7N3/c5-3-1-4(6)7-2-3/h2-3,7H,5-6H2/t3-/m0/s1",76.00219,81.14428000000001,
9149,[N:1]([c:2]1[c:3]([H:10])[c:4]([N:5]([H:11])[H:12])[c:6]([H:13])[n:7]1[H:14])([H:8])[H:9],[N:1]([C:2]1=[C:3]([H:10])[C@@:4]([N:5]([H:11])[H:12])([H:13])[C:6][N:7]1[H:14])([H:8])[H:9],"InChI=1S/C4H7N3/c5-3-1-4(6)7-2-3/h1-2,7H,5-6H2","InChI=1S/C4H7N3/c5-3-1-4(6)7-2-3/h1,3,7H,5-6H2/t3-/m0/s1",57.12619,59.00963,Singlet_Carbene_Intra_Disproportionation
9150,[N:1]([c:2]1[c:3]([H:10])[c:4]([N:5]([H:11])[H:12])[c:6]([H:13])[n:7]1[H:14])([H:8])[H:9],[N:1]([C+:2]([C:3](=[C:4]1[N+:5]([H:11])([H:12])[C-:6]1[H:13])[H:10])[N-:7][H:14])([H:8])[H:9],"InChI=1S/C4H7N3/c5-3-1-4(6)7-2-3/h1-2,7H,5-6H2","InChI=1S/C4H7N3/c5-4(6)1-3-2-7-3/h1-2,5H,6-7H2",77.15379,80.20845,
9151,[N:1]([c:2]1[c:3]([H:10])[c:4]([N:5]([H:11])[H:12])[c:6]([H:13])[n:7]1[H:14])([H:8])[H:9],[N:1](=[C:2]1\[C:3]([H:10])=[C:4]([N:5]([H:11])[H:12])[C:6]([H:9])([H:13])[N:7]1[H:14])\[H:8],"InChI=1S/C4H7N3/c5-3-1-4(6)7-2-3/h1-2,7H,5-6H2","InChI=1S/C4H7N3/c5-3-1-4(6)7-2-3/h1H,2,5H2,(H2,6,7)",76.94209000000001,-2.20057,
9152,[N:1]([c:2]1[c:3]([H:10])[c:4]([N:5]([H:11])[H:12])[c:6]([H:13])[n:7]1[H:14])([H:8])[H:9],[N:1]([C:2]([C@:3]1([H:10])[C:4]([N:5]([H:11])[H:12])=[C:6]1[H:13])=[N:7][H:14])([H:8])[H:9],"InChI=1S/C4H7N3/c5-3-1-4(6)7-2-3/h1-2,7H,5-6H2","InChI=1S/C4H7N3/c5-3-1-2(3)4(6)7/h1-2H,5H2,(H3,6,7)/t2-/m0/s1",75.80379,41.77903,
9153,[N:1]([c:2]1[c:3]([H:10])[c:4]([N:5]([H:11])[H:12])[c:6]([H:13])[n:7]1[H:14])([H:8])[H:9],[N:1]([C:2]1=[C:3]([H:10])/[C:4](=[N:5]\[H:12])[C:6]([H:11])([H:13])[N:7]1[H:14])([H:8])[H:9],"InChI=1S/C4H7N3/c5-3-1-4(6)7-2-3/h1-2,7H,5-6H2","InChI=1S/C4H7N3/c5-3-1-4(6)7-2-3/h1,5,7H,2,6H2/b5-3+",58.52936999999999,-0.09258999999999999,
9154,[N:1]([c:2]1[c:3]([H:10])[c:4]([N:5]([H:11])[H:12])[c:6]([H:13])[n:7]1[H:14])([H:8])[H:9],[N:1]([C@@:2]1([H:14])[C:3]([H:10])=[C:4]([N:5]([H:11])[H:12])[C:6]([H:13])=[N:7]1)([H:8])[H:9],"InChI=1S/C4H7N3/c5-3-1-4(6)7-2-3/h1-2,7H,5-6H2","InChI=1S/C4H7N3/c5-3-1-4(6)7-2-3/h1-2,4H,5-6H2/t4-/m1/s1",40.50553,11.15504,
9155,[N:1]([c:2]1[c:3]([H:10])[c:4]([N:5]([H:11])[H:12])[c:6]([H:13])[n:7]1[H:14])([H:8])[H:9],[N:1](=[C:2]1\[C:3]([H:8])([H:10])[C:4]([N:5]([H:11])[H:12])=[C:6]([H:13])[N:7]1[H:14])\[H:9],"InChI=1S/C4H7N3/c5-3-1-4(6)7-2-3/h1-2,7H,5-6H2","InChI=1S/C4H7N3/c5-3-1-4(6)7-2-3/h2H,1,5H2,(H2,6,7)",64.08066,4.0937,
9156,[N:1]([c:2]1[c:3]([H:10])[c:4]([N:5]([H:11])[H:12])[c:6]([H:13])[n:7]1[H:14])([H:8])[H:9],[N:1](=[C:2]1[C:3]([H:10])=[C:4]([N:5]([H:11])[H:12])[C-:6]([H:13])[N+:7]1([H:8])[H:14])[H:9],"InChI=1S/C4H7N3/c5-3-1-4(6)7-2-3/h1-2,7H,5-6H2","InChI=1S/C4H7N3/c5-3-1-4(6)7-2-3/h1-2,6H,5,7H2",61.51044,37.62489,
9157,[N:1]([c:2]1[c:3]([H:10])[c:4]([N:5]([H:11])[H:12])[c:6]([H:13])[n:7]1[H:14])([H:8])[H:9],[N:1]([c:2]1[c:3]([H:10])[c:4]([N+:5]([H:11])([H:12])[H:13])[c-:6][n:7]1[H:14])([H:8])[H:9],"InChI=1S/C4H7N3/c5-3-1-4(6)7-2-3/h1-2,7H,5-6H2","InChI=1S/C4H6N3/c5-3-1-4(6)7-2-3/h1,7H,5-6H2/q-1/p+1",69.40144000000001,67.33173000000001,
9158,[N:1]([c:2]1[c:3]([H:10])[c:4]([N:5]([H:11])[H:12])[c:6]([H:13])[n:7]1[H:14])([H:8])[H:9],[N:1]([C@@:2]1([H:10])[C-:3]=[C:4]([N:5]([H:11])[H:12])[C+:6]([H:13])[N:7]1[H:14])([H:8])[H:9],"InChI=1S/C4H7N3/c5-3-1-4(6)7-2-3/h1-2,7H,5-6H2","InChI=1S/C4H7N3/c5-3-1-4(6)7-2-3/h2,4,7H,5-6H2/t4-/m1/s1",67.95524,67.02915,Singlet_Carbene_Intra_Disproportionation
9159,[N:1]([c:2]1[c:3]([H:10])[c:4]([N:5]([H:11])[H:12])[c:6]([H:13])[n:7]1[H:14])([H:8])[H:9],[N+:1]([c-:2]1[c:3]([H:10])[c:4]([N:5]([H:11])[H:12])[c:6]([H:13])[n:7]1)([H:8])([H:9])[H:14],"InChI=1S/C4H7N3/c5-3-1-4(6)7-2-3/h1-2,7H,5-6H2","InChI=1S/C4H7N3/c5-3-1-4(6)7-2-3/h1-2H,5H2,6H3",46.07371,39.68546,
9160,[N:1]([c:2]1[c:3]([H:10])[c:4]([N:5]([H:11])[H:12])[c:6]([H:13])[n:7]1[H:14])([H:8])[H:9],[N:1]([C@:2]12[C:3]([H:10])=[C:4]([N:5]([H:11])[H:12])[C@@:6]1([H:13])[N:7]2[H:14])([H:8])[H:9],"InChI=1S/C4H7N3/c5-3-1-4(6)7-2-3/h1-2,7H,5-6H2","InChI=1S/C4H7N3/c5-2-1-4(6)3(2)7-4/h1,3,7H,5-6H2/t3-,4+/m1/s1",78.04614000000001,65.07225,Intra_2+2_cycloaddition_Cd
9161,[N:1]([c:2]1[c:3]([H:10])[c:4]([N:5]([H:11])[H:12])[c:6]([H:13])[n:7]1[H:14])([H:8])[H:9],[N:1]([C:2]1=[C:3]=[C:4]([N:5]([H:11])[H:12])[C:6]([H:10])([H:13])[N:7]1[H:14])([H:8])[H:9],"InChI=1S/C4H7N3/c5-3-1-4(6)7-2-3/h1-2,7H,5-6H2","InChI=1S/C4H7N3/c5-3-1-4(6)7-2-3/h7H,2,5-6H2",80.68899,36.151270000000004,
9162,[N:1]([c:2]1[c:3]([H:10])[c:4]([N:5]([H:11])[H:12])[c:6]([H:13])[n:7]1[H:14])([H:8])[H:9],[N:1]([C:2]1=[C:3]([H:10])[C@@:4]1([N:5]([H:11])[H:12])/[C:6](=[N:7]/[H:14])[H:13])([H:8])[H:9],"InChI=1S/C4H7N3/c5-3-1-4(6)7-2-3/h1-2,7H,5-6H2","InChI=1S/C4H7N3/c5-2-4(7)1-3(4)6/h1-2,5H,6-7H2/b5-2+/t4-/m1/s1",70.06062,52.98405,
9163,[N:1]([c:2]1[c:3]([H:10])[c:4]([N:5]([H:11])[H:12])[c:6]([H:13])[n:7]1[H:14])([H:8])[H:9],[N:1]([C:2][C@:3]1([H:10])[C-:4]([C:6](=[N:7][H:14])[H:13])[N+:5]1([H:11])[H:12])([H:8])[H:9],"InChI=1S/C4H7N3/c5-3-1-4(6)7-2-3/h1-2,7H,5-6H2","InChI=1S/C4H7N3/c5-1-3-4(2-6)7-3/h1,4-5H,6-7H2/t4-/m1/s1",112.29006000000001,118.34228,
9164,[N:1]([c:2]1[c:3]([H:10])[c:4]([N:5]([H:11])[H:12])[c:6]([H:13])[n:7]1[H:14])([H:8])[H:9],[N:1]([C:2]1=[N:7][C:6]([H:13])=[C:4]([N:5]([H:11])[H:12])[C:3]1([H:10])[H:14])([H:8])[H:9],"InChI=1S/C4H7N3/c5-3-1-4(6)7-2-3/h1-2,7H,5-6H2","InChI=1S/C4H7N3/c5-3-1-4(6)7-2-3/h2H,1,5H2,(H2,6,7)",41.40821,2.94754,
9165,[N:1]([c:2]1[c:3]([H:10])[c:4]([N:5]([H:11])[H:12])[c:6]([H:13])[n:7]1[H:14])([H:8])[H:9],[N:1]([C:2][N:7]([C@@:6]1([H:13])[C:3]([H:10])=[C:4]1[N:5]([H:11])[H:12])[H:14])([H:8])[H:9],"InChI=1S/C4H7N3/c5-3-1-4(6)7-2-3/h1-2,7H,5-6H2","InChI=1S/C4H7N3/c5-2-7-4-1-3(4)6/h1,4,7H,5-6H2/t4-/m0/s1",110.07396999999999,78.20076999999999,
9166,[N:1]([c:2]1[c:3]([H:10])[c:4]([N:5]([H:11])[H:12])[c:6]([H:13])[n:7]1[H:14])([H:8])[H:9],[H:8][H:13].[N-:1]([C+:2]1[C+:3]([H:10])[C:4]([N:5]([H:11])[H:12])=[C-:6][N:7]1[H:14])[H:9],"InChI=1S/C4H7N3/c5-3-1-4(6)7-2-3/h1-2,7H,5-6H2","InChI=1S/C4H5N3.H2/c5-3-1-4(6)7-2-3;/h1,6-7H,5H2;1H",106.47873,61.57575,
9167,[N:1]([c:2]1[c:3]([H:10])[c:4]([N:5]([H:11])[H:12])[c:6]([H:13])[n:7]1[H:14])([H:8])[H:9],[H:11][H:12].[N:1]([C:2]1=[C:3]([H:10])[C:4](=[N-:5])[C+:6]([H:13])[N:7]1[H:14])([H:8])[H:9],"InChI=1S/C4H7N3/c5-3-1-4(6)7-2-3/h1-2,7H,5-6H2","InChI=1S/C4H5N3.H2/c5-3-1-4(6)7-2-3;/h1-2,7H,6H2;1H",79.29151,82.78943000000001,
9168,[N:1]([c:2]1[c:3]([H:10])[c:4]([N:5]([H:11])[H:12])[c:6]([H:13])[n:7]1[H:14])([H:8])[H:9],[N:1]([C+:2]1[C:3]([H:10])=[C-:4][C@@:6]([N:5]([H:11])[H:12])([H:13])[N:7]1[H:14])([H:8])[H:9],"InChI=1S/C4H7N3/c5-3-1-4(6)7-2-3/h1-2,7H,5-6H2","InChI=1S/C4H7N3/c5-3-1-2-4(6)7-3/h1,4,7H,5-6H2/t4-/m1/s1",79.90709,55.4776,
9169,[N:1]([c:2]1[c:3]([H:10])[c:4]([N:5]([H:11])[H:12])[c:6]([H:13])[n:7]1[H:14])([H:8])[H:9],[H:12][H:13].[N:1]([C:2]1=[C:3]([H:10])[C:4]([N-:5][H:11])=[C+:6][N:7]1[H:14])([H:8])[H:9],"InChI=1S/C4H7N3/c5-3-1-4(6)7-2-3/h1-2,7H,5-6H2","InChI=1S/C4H5N3.H2/c5-3-1-4(6)7-2-3;/h1,5,7H,6H2;1H",89.22936,71.34483,
9170,[N:1]([c:2]1[c:3]([H:10])[c:4]([N:5]([H:11])[H:12])[c:6]([H:13])[n:7]1[H:14])([H:8])[H:9],[N:1]([C+:2]1[C:3]([H:10])([H:13])[C:4]([N:5]([H:11])[H:12])=[C-:6][N:7]1[H:14])([H:8])[H:9],"InChI=1S/C4H7N3/c5-3-1-4(6)7-2-3/h1-2,7H,5-6H2","InChI=1S/C4H7N3/c5-3-1-4(6)7-2-3/h7H,1,5-6H2",77.38226999999999,60.45527,
9171,[N:1]([c:2]1[c:3]([H:10])[c:4]([N:5]([H:11])[H:12])[c:6]([H:13])[n:7]1[H:14])([H:8])[H:9],[N-:1]([C:2]1=[C:3]([H:10])[C@:4]([N:5]([H:11])[H:12])([H:9])[C+:6]([H:13])[N:7]1[H:14])[H:8],"InChI=1S/C4H7N3/c5-3-1-4(6)7-2-3/h1-2,7H,5-6H2","InChI=1S/C4H7N3/c5-3-1-4(6)7-2-3/h1-3,6-7H,5H2/t3-/m1/s1",76.94246,48.63726,
9172,[N:1]([c:2]1[c:3]([H:10])[c:4]([N:5]([H:11])[H:12])[c:6]([H:13])[n:7]1[H:14])([H:8])[H:9],[N:1]([C:2]/[C:3](=[C:4]([N:5]([H:11])[H:12])\[C:6](=[N:7]\[H:14])[H:13])[H:10])([H:8])[H:9],"InChI=1S/C4H7N3/c5-3-1-4(6)7-2-3/h1-2,7H,5-6H2","InChI=1S/C4H7N3/c5-2-1-4(7)3-6/h1,3,6H,5,7H2/b4-1+,6-3+",53.50618000000001,42.67763,
9173,[O:1]=[C:2]([N:3]([C:4]([C:5]([C:6]#[C:7][H:14])([H:12])[H:13])([H:10])[H:11])[H:9])[H:8],[O+:1](=[C:2]([N:3]([C-:4]([H:10])[H:11])[H:9])[H:8])[C:5]([C:6]#[C:7][H:14])([H:12])[H:13],"InChI=1S/C5H7NO/c1-2-3-4-6-5-7/h1,5H,3-4H2,(H,6,7)","InChI=1S/C5H7NO/c1-3-4-7-5-6-2/h1,5-6H,2,4H2",69.08744,69.04468,
9174,[O:1]=[C:2]([N:3]([C:4]([C:5]([C:6]#[C:7][H:14])([H:12])[H:13])([H:10])[H:11])[H:9])[H:8],[N:3](=[C:4]([H:10])[H:11])[H:9].[O:1]=[C:2]([C:6]1=[C:7]([H:14])[C:5]1([H:12])[H:13])[H:8],"InChI=1S/C5H7NO/c1-2-3-4-6-5-7/h1,5H,3-4H2,(H,6,7)","InChI=1S/C4H4O.CH3N/c5-3-4-1-2-4;1-2/h1,3H,2H2;2H,1H2",89.83678,49.27309,
9175,[O:1]=[C:2]([N:3]([C:4]([C:5]([C:6]#[C:7][H:14])([H:12])[H:13])([H:10])[H:11])[H:9])[H:8],[O:1]=[C:2](/[N+:3](=[C:4](/[C:5]([C-:6]=[C:7]([H:11])[H:14])([H:12])[H:13])[H:10])[H:9])[H:8],"InChI=1S/C5H7NO/c1-2-3-4-6-5-7/h1,5H,3-4H2,(H,6,7)","InChI=1S/C5H6NO/c1-2-3-4-6-5-7/h4-5H,1,3H2/q-1/p+1/b6-4+",67.67523,53.72201999999999,
9176,[O:1]=[C:2]([N:3]([C:4]([C:5]([C:6]#[C:7][H:14])([H:12])[H:13])([H:10])[H:11])[H:9])[H:8],[O+:1]1=[C:2]([H:8])[N:3]([H:9])[C-:4]([H:10])[C:5]([H:12])([H:13])[C:6]([H:11])=[C:7]1[H:14],"InChI=1S/C5H7NO/c1-2-3-4-6-5-7/h1,5H,3-4H2,(H,6,7)","InChI=1S/C5H7NO/c1-2-4-7-5-6-3-1/h2-6H,1H2",83.54191999999999,37.33522,
9177,[O:1]=[C:2]([N:3]([C:4]([C:5]([C:6]#[C:7][H:14])([H:12])[H:13])([H:10])[H:11])[H:9])[H:8],[O:1](/[C:2](=[N:3]/[H:9])[H:8])[C:4]([C:5]([C:6]#[C:7][H:14])([H:12])[H:13])([H:10])[H:11],"InChI=1S/C5H7NO/c1-2-3-4-6-5-7/h1,5H,3-4H2,(H,6,7)","InChI=1S/C5H7NO/c1-2-3-4-7-5-6/h1,5-6H,3-4H2/b6-5+",62.30376999999999,16.9404,ketoenol
9178,[O:1]=[C:2]([N:3]([C:4]([C:5]([C:6]#[C:7][H:14])([H:12])[H:13])([H:10])[H:11])[H:9])[H:8],[O:1]=[C:2]([N:3]([C:4]1([H:10])[C:5]([H:12])([H:13])[C:6][C:7]1([H:11])[H:14])[H:9])[H:8],"InChI=1S/C5H7NO/c1-2-3-4-6-5-7/h1,5H,3-4H2,(H,6,7)","InChI=1S/C5H7NO/c7-4-6-5-2-1-3-5/h4-5H,2-3H2,(H,6,7)",100.2812,65.67729,
9179,[O:1]=[C:2]([N:3]([C:4]([C:5]([C:6]#[C:7][H:14])([H:12])[H:13])([H:10])[H:11])[H:9])[H:8],[C:4](=[C:5]([C:6]#[C:7][H:14])[H:12])([H:10])[H:11].[O:1](/[C:2](=[N:3]/[H:9])[H:8])[H:13],"InChI=1S/C5H7NO/c1-2-3-4-6-5-7/h1,5H,3-4H2,(H,6,7)","InChI=1S/C4H4.CH3NO/c1-3-4-2;2-1-3/h1,4H,2H2;1H,(H2,2,3)",47.888459999999995,23.38459,Retroene
9180,[O:1]=[C:2]([N:3]([C:4]([C:5]([C:6]#[C:7][H:14])([H:12])[H:13])([H:10])[H:11])[H:9])[H:8],[O:1]=[C:7]([C:6]1=[C:2]([H:8])[N:3]([H:9])[C:4]([H:10])([H:11])[C:5]1([H:12])[H:13])[H:14],"InChI=1S/C5H7NO/c1-2-3-4-6-5-7/h1,5H,3-4H2,(H,6,7)","InChI=1S/C5H7NO/c7-4-5-1-2-6-3-5/h3-4,6H,1-2H2",68.8616,-20.60158,
9181,[O:1]=[C:2]([N:3]([C:4]([C:5]([C:6]#[C:7][H:14])([H:12])[H:13])([H:10])[H:11])[H:9])[H:8],[O:1]=[C:2]([N:3]1[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[C:6]1=[C:7]([H:9])[H:14])[H:8],"InChI=1S/C5H7NO/c1-2-3-4-6-5-7/h1,5H,3-4H2,(H,6,7)","InChI=1S/C5H7NO/c1-5-2-3-6(5)4-7/h4H,1-3H2",78.84325,-10.42782,
9182,[O:1]=[C:2]([N:3]([C:4]([C:5]([C:6]#[C:7][H:14])([H:12])[H:13])([H:10])[H:11])[H:9])[H:8],[N:3](=[C:4](\[C:5]([C:6]#[C:7][H:14])([H:12])[H:13])[H:10])\[H:9].[O:1]=[C:2]([H:8])[H:11],"InChI=1S/C5H7NO/c1-2-3-4-6-5-7/h1,5H,3-4H2,(H,6,7)","InChI=1S/C4H5N.CH2O/c1-2-3-4-5;1-2/h1,4-5H,3H2;1H2/b5-4-;",76.59347,37.20272,
9183,[O:1]=[C:2]([N:3]([C:4]([C:5]([C:6]#[C:7][H:14])([H:12])[H:13])([H:10])[H:11])[H:9])[H:8],[O+:1]1=[C:2]([H:8])[N:3]([H:9])[C-:4]([H:10])[C:5]([H:12])([H:13])[C:6]1=[C:7]([H:11])[H:14],"InChI=1S/C5H7NO/c1-2-3-4-6-5-7/h1,5H,3-4H2,(H,6,7)","InChI=1S/C5H7NO/c1-5-2-3-6-4-7-5/h3-4,6H,1-2H2",75.31125,27.787740000000003,
9184,[O:1]=[C:2]([N:3]([C:4]([C:5]([C:6]#[C:7][H:14])([H:12])[H:13])([H:10])[H:11])[H:9])[H:8],[N:3]1([H:9])[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[C:6]1=[C:7]([H:8])[H:14].[O+:1]#[C-:2],"InChI=1S/C5H7NO/c1-2-3-4-6-5-7/h1,5H,3-4H2,(H,6,7)","InChI=1S/C4H7N.CO/c1-4-2-3-5-4;1-2/h5H,1-3H2;",89.67023,4.3676900000000005,
9185,[O:1]=[C:2]([N:3]([C:4]([C:5]([C:6]#[C:7][H:14])([H:12])[H:13])([H:10])[H:11])[H:9])[H:8],[O:1]=[C:2]([N:3]([C:4]([C:5]([C:6](=[C:7])[H:14])([H:12])[H:13])([H:10])[H:11])[H:9])[H:8],"InChI=1S/C5H7NO/c1-2-3-4-6-5-7/h1,5H,3-4H2,(H,6,7)","InChI=1S/C5H7NO/c1-2-3-4-6-5-7/h2,5H,3-4H2,(H,6,7)",44.08057,47.1669,Singlet_Carbene_Intra_Disproportionation
9186,[O:1]=[C:2]([N:3]([C:4]([C:5]([C:6]#[C:7][H:14])([H:12])[H:13])([H:10])[H:11])[H:9])[H:8],[N:3](=[C:4]([H:10])[H:11])[H:9].[O:1]=[C:2]([C:7](=[C:6]=[C:5]([H:12])[H:13])[H:14])[H:8],"InChI=1S/C5H7NO/c1-2-3-4-6-5-7/h1,5H,3-4H2,(H,6,7)","InChI=1S/C4H4O.CH3N/c1-2-3-4-5;1-2/h3-4H,1H2;2H,1H2",47.50969,26.8213,
9187,[O:1]=[C:2]([N:3]([C:4]([C:5]([C:6]#[C:7][H:14])([H:12])[H:13])([H:10])[H:11])[H:9])[H:8],[O:1]=[C:2](/[C:7](=[C:6]1\[N:3]([H:9])[C:4]([H:10])([H:11])[C:5]1([H:12])[H:13])[H:14])[H:8],"InChI=1S/C5H7NO/c1-2-3-4-6-5-7/h1,5H,3-4H2,(H,6,7)","InChI=1S/C5H7NO/c7-4-2-5-1-3-6-5/h2,4,6H,1,3H2/b5-2-",69.59541999999999,-10.13833,
9188,[O:1]=[C:2]([N:3]([C:4]([C:5]([C:6]#[C:7][H:14])([H:12])[H:13])([H:10])[H:11])[H:9])[H:8],[C:5](=[C:6]=[C:7]([H:9])[H:14])([H:12])[H:13].[O:1]=[C:2]([N:3]=[C:4]([H:10])[H:11])[H:8],"InChI=1S/C5H7NO/c1-2-3-4-6-5-7/h1,5H,3-4H2,(H,6,7)","InChI=1S/C3H4.C2H3NO/c1-3-2;1-3-2-4/h1-2H2;2H,1H2",39.23344,25.97705,Retroene
9189,[O:1]=[C:2]([N:3]([C:4]([C:5]([C:6]#[C:7][H:14])([H:12])[H:13])([H:10])[H:11])[H:9])[H:8],[O:1]([C:2][N:3]([C:4]([C:5]([C:6]#[C:7][H:14])([H:12])[H:13])([H:10])[H:11])[H:9])[H:8],"InChI=1S/C5H7NO/c1-2-3-4-6-5-7/h1,5H,3-4H2,(H,6,7)","InChI=1S/C5H7NO/c1-2-3-4-6-5-7/h1,6-7H,3-4H2",73.51583000000001,44.34778,
9190,[O:1]=[C:2]([N:3]([C:4]([C:5]([C:6]#[C:7][H:14])([H:12])[H:13])([H:10])[H:11])[H:9])[H:8],[O:1]1[C@@:2]2([H:8])[N:3]([H:9])[C:4]([H:10])([H:11])[C@:5]1([H:13])[C:6]2=[C:7]([H:12])[H:14],"InChI=1S/C5H7NO/c1-2-3-4-6-5-7/h1,5H,3-4H2,(H,6,7)","InChI=1S/C5H7NO/c1-3-4-2-6-5(3)7-4/h4-6H,1-2H2/t4-,5-/m1/s1",116.28575,29.60618,
9191,[O:1]=[C:2]([N:3]([C:4]([C:5]([C:6]#[C:7][H:14])([H:12])[H:13])([H:10])[H:11])[H:9])[H:8],[H:9][H:11].[O:1]=[C:2](/[N:3]=[C:4](/[C:5]([C:6]#[C:7][H:14])([H:12])[H:13])[H:10])[H:8],"InChI=1S/C5H7NO/c1-2-3-4-6-5-7/h1,5H,3-4H2,(H,6,7)","InChI=1S/C5H5NO.H2/c1-2-3-4-6-5-7;/h1,4-5H,3H2;1H/b6-4+;",99.64062,37.59682,
9192,[O:1]=[C:2]([N:3]([C:4]([C:5]([C:6]#[C:7][H:14])([H:12])[H:13])([H:10])[H:11])[H:9])[H:8],[O-:1][C:6]([C:5]([C:4]([N:3]([C:2][H:8])[H:9])([H:10])[H:11])([H:12])[H:13])=[C+:7][H:14],"InChI=1S/C5H7NO/c1-2-3-4-6-5-7/h1,5H,3-4H2,(H,6,7)","InChI=1S/C5H7NO/c1-5(7)3-4-6-2/h1-2,6H,3-4H2",102.3424,107.06727,
9193,[O:1]=[C:2]([N:3]([C:4]([C:5]([C:6]#[C:7][H:14])([H:12])[H:13])([H:10])[H:11])[H:9])[H:8],[N:3]([C:4]([C:5]([C:6]#[C:7][H:14])([H:12])[H:13])([H:10])[H:11])([H:8])[H:9].[O+:1]#[C-:2],"InChI=1S/C5H7NO/c1-2-3-4-6-5-7/h1,5H,3-4H2,(H,6,7)","InChI=1S/C4H7N.CO/c1-2-3-4-5;1-2/h1H,3-5H2;",75.78047,15.667060000000001,"1,2_Insertion_CO"
9194,[O:1]=[C:2]([N:3]([C:4]([C:5]([C:6]#[C:7][H:14])([H:12])[H:13])([H:10])[H:11])[H:9])[H:8],[O:1]([C@@:2]1([H:8])[N:3]([H:9])[C:4]([H:10])([H:11])[C:5]([H:12])=[C:6]=[C:7]1[H:14])[H:13],"InChI=1S/C5H7NO/c1-2-3-4-6-5-7/h1,5H,3-4H2,(H,6,7)","InChI=1S/C5H7NO/c7-5-3-1-2-4-6-5/h2-3,5-7H,4H2/t5-/m1/s1",54.12396999999999,28.957109999999997,
9195,[O:1]=[C:2]([N:3]([C:4]([C:5]([C:6]#[C:7][H:14])([H:12])[H:13])([H:10])[H:11])[H:9])[H:8],[O:1]1[C@@:2]2([H:8])[N:3]([H:9])[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[C:6]1=[C:7]2[H:14],"InChI=1S/C5H7NO/c1-2-3-4-6-5-7/h1,5H,3-4H2,(H,6,7)","InChI=1S/C5H7NO/c1-2-6-5-3-4(1)7-5/h3,5-6H,1-2H2/t5-/m1/s1",72.38619,51.26432,
9196,[O:1]=[C:2]([N:3]([C:4]([C:5]([C:6]#[C:7][H:14])([H:12])[H:13])([H:10])[H:11])[H:9])[H:8],[O:1]=[C:2]([N:3]([C:4]([C:5](=[C:6]=[C:7]([H:12])[H:14])[H:13])([H:10])[H:11])[H:9])[H:8],"InChI=1S/C5H7NO/c1-2-3-4-6-5-7/h1,5H,3-4H2,(H,6,7)","InChI=1S/C5H7NO/c1-2-3-4-6-5-7/h3,5H,1,4H2,(H,6,7)",70.48861,-4.89724,
9197,[O:1]=[C:2]([N:3]([C:4]([C:5]([C:6]#[C:7][H:14])([H:12])[H:13])([H:10])[H:11])[H:9])[H:8],[O:1](/[C:2](=[N:3]\[H:9])[H:8])[C:7](=[C:6]1[C:4]([H:10])([H:11])[C:5]1([H:12])[H:13])[H:14],"InChI=1S/C5H7NO/c1-2-3-4-6-5-7/h1,5H,3-4H2,(H,6,7)","InChI=1S/C5H7NO/c6-4-7-3-5-1-2-5/h3-4,6H,1-2H2/b6-4-",80.29871999999999,16.8441,
9198,[O:1]=[C:2]([N:3]([C:4]([C:5]([C:6]#[C:7][H:14])([H:12])[H:13])([H:10])[H:11])[H:9])[H:8],[O:1]1[C@@:2]([C:6]#[C:7][H:14])([H:8])[N:3]([H:9])[C:4]([H:10])([H:11])[C:5]1([H:12])[H:13],"InChI=1S/C5H7NO/c1-2-3-4-6-5-7/h1,5H,3-4H2,(H,6,7)","InChI=1S/C5H7NO/c1-2-5-6-3-4-7-5/h1,5-6H,3-4H2/t5-/m1/s1",104.47704,27.23943,
9199,[O:1]=[C:2]([N:3]([C:4]([C:5]([C:6]#[C:7][H:14])([H:12])[H:13])([H:10])[H:11])[H:9])[H:8],[C:4](=[C:5]([H:12])[H:13])([H:10])[H:11].[O:1](/[C:2](=[N:3]/[H:9])[H:8])[C:6]#[C:7][H:14],"InChI=1S/C5H7NO/c1-2-3-4-6-5-7/h1,5H,3-4H2,(H,6,7)","InChI=1S/C3H3NO.C2H4/c1-2-5-3-4;1-2/h1,3-4H;1-2H2/b4-3+;",86.77508,51.584759999999996,
9200,[O:1]=[C:2]([N:3]([C:4]([C:5]([C:6]#[C:7][H:14])([H:12])[H:13])([H:10])[H:11])[H:9])[H:8],[O:1]([C+:2]1[N:3]([H:9])[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[C-:6]=[C:7]1[H:14])[H:8],"InChI=1S/C5H7NO/c1-2-3-4-6-5-7/h1,5H,3-4H2,(H,6,7)","InChI=1S/C5H7NO/c7-5-3-1-2-4-6-5/h3,6-7H,2,4H2",94.80497,49.93741,
9201,[O:1]=[C:2]([N:3]([C:4]([C:5]([C:6]#[C:7][H:14])([H:12])[H:13])([H:10])[H:11])[H:9])[H:8],[H:8][H:9].[O:1]=[C:2]=[N:3][C:4]([C:5]([C:6]#[C:7][H:14])([H:12])[H:13])([H:10])[H:11],"InChI=1S/C5H7NO/c1-2-3-4-6-5-7/h1,5H,3-4H2,(H,6,7)","InChI=1S/C5H5NO.H2/c1-2-3-4-6-5-7;/h1H,3-4H2;1H",72.50504000000001,17.18505,
9202,[O:1]=[C:2]([N:3]([C:4]([C:5]([C:6]#[C:7][H:14])([H:12])[H:13])([H:10])[H:11])[H:9])[H:8],[O:1](/[C:2](=[N:3]/[C:4]([C:5]([C:6]#[C:7][H:14])([H:12])[H:13])([H:10])[H:11])[H:8])[H:9],"InChI=1S/C5H7NO/c1-2-3-4-6-5-7/h1,5H,3-4H2,(H,6,7)","InChI=1S/C5H7NO/c1-2-3-4-6-5-7/h1,5H,3-4H2,(H,6,7)",43.11457,11.170630000000001,ketoenol
9203,[O:1]=[C:2]([N:3]([C:4]([C:5]([C:6]#[C:7][H:14])([H:12])[H:13])([H:10])[H:11])[H:9])[H:8],[O:1]=[C:6]1[C:5]([H:12])([H:13])[C:4]([H:10])([H:11])[N:3]([H:9])[C:2]([H:8])=[C:7]1[H:14],"InChI=1S/C5H7NO/c1-2-3-4-6-5-7/h1,5H,3-4H2,(H,6,7)","InChI=1S/C5H7NO/c7-5-1-3-6-4-2-5/h1,3,6H,2,4H2",86.57581,-30.875420000000002,
9204,[O:1]=[C:2]([N:3]([C:4]([C:5]([C:6]#[C:7][H:14])([H:12])[H:13])([H:10])[H:11])[H:9])[H:8],[O:1]=[C:2]([N:3]([C:4](/[C:5](=[C:6](\[C:7][H:14])[H:12])[H:13])([H:10])[H:11])[H:9])[H:8],"InChI=1S/C5H7NO/c1-2-3-4-6-5-7/h1,5H,3-4H2,(H,6,7)","InChI=1S/C5H7NO/c1-2-3-4-6-5-7/h1-3,5H,4H2,(H,6,7)/b3-2-",67.22809000000001,58.13098000000001,
9205,[O:1]=[C:2]([N:3]([C:4]([C:5]([C:6]#[C:7][H:14])([H:12])[H:13])([H:10])[H:11])[H:9])[H:8],[O+:1](=[C:2]([N:3]([C-:4]([H:10])[H:11])[H:9])[H:8])[C:6]1=[C:7]([H:14])[C:5]1([H:12])[H:13],"InChI=1S/C5H7NO/c1-2-3-4-6-5-7/h1,5H,3-4H2,(H,6,7)","InChI=1S/C5H7NO/c1-6-4-7-5-2-3-5/h2,4,6H,1,3H2",105.00263999999999,81.28083000000001,
9206,[O:1]=[C:2]([N:3]([C:4]([C:5]([C:6]#[C:7][H:14])([H:12])[H:13])([H:10])[H:11])[H:9])[H:8],[H:11][H:12].[O-:1][C+:2]([N:3]([C:4](=[C:5]([C:6]#[C:7][H:14])[H:13])[H:10])[H:9])[H:8],"InChI=1S/C5H7NO/c1-2-3-4-6-5-7/h1,5H,3-4H2,(H,6,7)","InChI=1S/C5H5NO.H2/c1-2-3-4-6-5-7;/h1,3-6H;1H",96.34838,21.65418,
9207,[O:1]=[C:2]([N:3]([C:4]([C:5]([C:6]#[C:7][H:14])([H:12])[H:13])([H:10])[H:11])[H:9])[H:8],[O+:1](=[C:2]([N:3]([C-:4]([H:10])[H:11])[H:9])[H:8])[C:7](=[C:6]=[C:5]([H:12])[H:13])[H:14],"InChI=1S/C5H7NO/c1-2-3-4-6-5-7/h1,5H,3-4H2,(H,6,7)","InChI=1S/C5H7NO/c1-3-4-7-5-6-2/h4-6H,1-2H2",75.09447,63.08803,
9208,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[N:4]([H:14])[C@:5]1([C:6]#[N:7])[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:5]([N:4]([C:2][C:3]([H:11])([H:12])[H:13])[H:14])([C:6]#[N:7])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5(2)4(3-6)7-5/h4,7H,1-2H3/t4-/m0/s1","InChI=1S/C5H8N2/c1-3-7-5(2)4-6/h5,7H,1-2H3/t5-/m1/s1",94.80301999999999,35.71295,
9209,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[N:4]([H:14])[C@:5]1([C:6]#[N:7])[H:15])([H:8])([H:9])[H:10],[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[N:4]([H:14])[N:7]=[C:6]=[C:5]1[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5(2)4(3-6)7-5/h4,7H,1-2H3/t4-/m0/s1","InChI=1S/C5H8N2/c1-5(2)3-4-6-7-5/h3,7H,1-2H3",82.73216,65.9591,
9210,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[N:4]([H:14])[C@:5]1([C:6]#[N:7])[H:15])([H:8])([H:9])[H:10],[C:1]1([H:8])=[N+:7]=[C-:6][C@@:5]2([H:15])[C@:2]1([C:3]([H:11])([H:12])[H:13])[N:4]2[H:14].[H:9][H:10],"InChI=1S/C5H8N2/c1-5(2)4(3-6)7-5/h4,7H,1-2H3/t4-/m0/s1","InChI=1S/C5H6N2.H2/c1-5-3-6-2-4(5)7-5;/h3-4,7H,1H3;1H/t4-,5+;/m0./s1",121.64455,103.28353,
9211,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[N:4]([H:14])[C@:5]1([C:6]#[N:7])[H:15])([H:8])([H:9])[H:10],[C:1]([C-:2]1[N+:4]([C:3]([H:11])([H:12])[H:13])([H:14])[C@:5]1([C:6]#[N:7])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5(2)4(3-6)7-5/h4,7H,1-2H3/t4-/m0/s1","InChI=1S/C5H8N2/c1-4-5(3-6)7(4)2/h5,7H,1-2H3/t5-/m0/s1",98.83015999999999,60.084559999999996,
9212,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[N:4]([H:14])[C@:5]1([C:6]#[N:7])[H:15])([H:8])([H:9])[H:10],[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[C:6](/[C:5](=[N:4]\[H:14])[H:15])=[N:7]1)([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5(2)4(3-6)7-5/h4,7H,1-2H3/t4-/m0/s1","InChI=1S/C5H8N2/c1-5(2)4(3-6)7-5/h3,6H,1-2H3/b6-3-",75.20834,19.45796,
9213,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[N:4]([H:14])[C@:5]1([C:6]#[N:7])[H:15])([H:8])([H:9])[H:10],[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[N+:4]([H:14])([H:15])[C-:5]1[C:6]#[N:7])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5(2)4(3-6)7-5/h4,7H,1-2H3/t4-/m0/s1","InChI=1S/C5H8N2/c1-5(2)4(3-6)7-5/h7H2,1-2H3",55.58221999999999,40.428,
9214,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[N:4]([H:14])[C@:5]1([C:6]#[N:7])[H:15])([H:8])([H:9])[H:10],[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[N:4]([H:14])[C@:5]1([N+:7]#[C-:6])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5(2)4(3-6)7-5/h4,7H,1-2H3/t4-/m0/s1","InChI=1S/C5H8N2/c1-5(2)4(6-3)7-5/h4,7H,1-2H3/t4-/m1/s1",57.379169999999995,25.34519,
9215,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[N:4]([H:14])[C@:5]1([C:6]#[N:7])[H:15])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])=[N:4][C:5]([C:6]#[N:7])([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5(2)4(3-6)7-5/h4,7H,1-2H3/t4-/m0/s1","InChI=1S/C5H8N2/c1-5(2)7-4-3-6/h4H2,1-2H3",68.1719,-10.10115,
9216,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[N:4]([H:14])[C@:5]1([C:6]#[N:7])[H:15])([H:8])([H:9])[H:10],[C:1]([C+:2]([C:3]([H:11])([H:12])[H:13])[N:4]([C:5](=[C:6]=[N-:7])[H:15])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5(2)4(3-6)7-5/h4,7H,1-2H3/t4-/m0/s1","InChI=1S/C5H8N2/c1-5(2)7-4-3-6/h4,7H,1-2H3",28.86058,7.35575,
9217,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[N:4]([H:14])[C@:5]1([C:6]#[N:7])[H:15])([H:8])([H:9])[H:10],[C:1](=[C:2]1[N:4]([H:14])[C@:5]1([C:6]#[N:7])[H:15])([H:9])[H:10].[C:3]([H:8])([H:11])([H:12])[H:13],"InChI=1S/C5H8N2/c1-5(2)4(3-6)7-5/h4,7H,1-2H3/t4-/m0/s1","InChI=1S/C4H4N2.CH4/c1-3-4(2-5)6-3;/h4,6H,1H2;1H4/t4-;/m0./s1",104.69289,28.70712,
9218,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[N:4]([H:14])[C@:5]1([C:6]#[N:7])[H:15])([H:8])([H:9])[H:10],[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[N:4]([H:14])[C:5]1=[C:6]=[N:7][H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5(2)4(3-6)7-5/h4,7H,1-2H3/t4-/m0/s1","InChI=1S/C5H8N2/c1-5(2)4(3-6)7-5/h6-7H,1-2H3",100.62702,28.837770000000003,
9219,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[N:4]([H:14])[C@:5]1([C:6]#[N:7])[H:15])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([N:4]([C:5][H:15])[H:14])[C:6]#[N:7])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5(2)4(3-6)7-5/h4,7H,1-2H3/t4-/m0/s1","InChI=1S/C5H8N2/c1-5(2,4-6)7-3/h3,7H,1-2H3",76.59758000000001,38.83501,
9220,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[N:4]([H:14])[C@:5]1([C:6]#[N:7])[H:15])([H:8])([H:9])[H:10],[C:1](=[C:2]([C:3]([H:11])([H:12])[H:13])[H:8])([H:9])[H:10].[N:4](=[C:5](\[C:6]#[N:7])[H:15])\[H:14],"InChI=1S/C5H8N2/c1-5(2)4(3-6)7-5/h4,7H,1-2H3/t4-/m0/s1","InChI=1S/C3H6.C2H2N2/c1-3-2;3-1-2-4/h3H,1H2,2H3;1,3H/b;3-1-",81.86338,13.168579999999999,
9221,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[N:4]([H:14])[C@:5]1([C:6]#[N:7])[H:15])([H:8])([H:9])[H:10],[C:1]1([H:8])([H:10])[C@@:2]([C:3]([H:11])([H:12])[H:13])([H:9])[N:4]([H:14])[C:5]([H:15])=[C:6]=[N:7]1,"InChI=1S/C5H8N2/c1-5(2)4(3-6)7-5/h4,7H,1-2H3/t4-/m0/s1","InChI=1S/C5H8N2/c1-5-4-6-2-3-7-5/h3,5,7H,4H2,1H3/t5-/m0/s1",76.98151999999999,33.04067,
9222,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[N:4]([H:14])[C@:5]1([C:6]#[N:7])[H:15])([H:8])([H:9])[H:10],[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[N+:4]([C:6]#[N:7])([H:14])[C-:5]1[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5(2)4(3-6)7-5/h4,7H,1-2H3/t4-/m0/s1","InChI=1S/C5H8N2/c1-5(2)3-7(5)4-6/h3,7H,1-2H3",84.46158,70.41537,
9223,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[N:4]([H:14])[C@:5]1([C:6]#[N:7])[H:15])([H:8])([H:9])[H:10],[C:1]([C:2]1=[N:4][C@:5]1([C:6]#[N:7])[H:15])([H:8])([H:9])[H:10].[C:3]([H:11])([H:12])([H:13])[H:14],"InChI=1S/C5H8N2/c1-5(2)4(3-6)7-5/h4,7H,1-2H3/t4-/m0/s1","InChI=1S/C4H4N2.CH4/c1-3-4(2-5)6-3;/h4H,1H3;1H4/t4-;/m0./s1",93.5441,20.195629999999998,
9224,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[N:4]([H:14])[C@:5]1([C:6]#[N:7])[H:15])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([N:4]([C+:5]=[C:6]=[N-:7])[H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5(2)4(3-6)7-5/h4,7H,1-2H3/t4-/m0/s1","InChI=1S/C5H8N2/c1-5(2)7-4-3-6/h5,7H,1-2H3",68.84822,19.51933,
9225,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[N:4]([H:14])[C@:5]1([C:6]#[N:7])[H:15])([H:8])([H:9])[H:10],[C:1]([C-:2]1[N:4]([H:14])[C@:5]1([C:6]#[N+:7][C:3]([H:11])([H:12])[H:13])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5(2)4(3-6)7-5/h4,7H,1-2H3/t4-/m0/s1","InChI=1S/C5H8N2/c1-4-5(7-4)3-6-2/h5,7H,1-2H3/t5-/m0/s1",104.72515,77.5261,
9226,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[N:4]([H:14])[C@:5]1([C:6]#[N:7])[H:15])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([N:4]([C:6]#[N:7])[H:14])[C:5][H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5(2)4(3-6)7-5/h4,7H,1-2H3/t4-/m0/s1","InChI=1S/C5H8N2/c1-5(2,3)7-4-6/h1,7H,2-3H3",84.48387,79.49817,
9227,[C:1]([C:2]([C@@:3]([O:4][H:14])([C:5]([C:6]#[N:7])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C-:1]([C:2]([C+:3]([O:4][H:14])[H:13])([H:11])[H:12])([H:8])[H:9].[C:5]([C:6]#[N:7])([H:10])([H:15])[H:16],"InChI=1S/C5H9NO/c1-2-5(7)3-4-6/h5,7H,2-3H2,1H3/t5-/m1/s1","InChI=1S/C3H6O.C2H3N/c1-2-3-4;1-2-3/h3-4H,1-2H2;1H3",81.92278,94.99574,
9228,[C:1]([C:2]([C@@:3]([O:4][H:14])([C:5]([C:6]#[N:7])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:3]([O:4][H:14])([C:5]([N+:7]#[C-:6])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-2-5(7)3-4-6/h5,7H,2-3H2,1H3/t5-/m1/s1","InChI=1S/C5H9NO/c1-3-5(7)4-6-2/h5,7H,3-4H2,1H3/t5-/m1/s1",60.70466999999999,26.50597,
9229,[C:1]([C:2]([C@@:3]([O:4][H:14])([C:5]([C:6]#[N:7])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:14].[C:2]([C:3](=[O:4])[H:13])([C:5]([C:6]#[N:7])([H:15])[H:16])([H:11])[H:12],"InChI=1S/C5H9NO/c1-2-5(7)3-4-6/h5,7H,2-3H2,1H3/t5-/m1/s1","InChI=1S/C4H5NO.CH4/c5-3-1-2-4-6;/h4H,1-2H2;1H4",85.34885,10.42728,
9230,[C:1]([C:2]([C@@:3]([O:4][H:14])([C:5]([C:6]#[N:7])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C@:3]([O:4][H:14])([H:13])[C:5]([H:15])([H:16])[C:6][N:7]1[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-2-5(7)3-4-6/h5,7H,2-3H2,1H3/t5-/m1/s1","InChI=1S/C5H9NO/c1-4-5(7)2-3-6-4/h4-7H,2H2,1H3/t4-,5-/m0/s1",81.34068,45.18349,
9231,[C:1]([C:2]([C@@:3]([O:4][H:14])([C:5]([C:6]#[N:7])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([H:11])([H:12])[H:13])([H:8])([H:9])[H:10].[C:3]([O:4][H:14])[C:5]([C:6]#[N:7])([H:15])[H:16],"InChI=1S/C5H9NO/c1-2-5(7)3-4-6/h5,7H,2-3H2,1H3/t5-/m1/s1","InChI=1S/C3H3NO.C2H6/c4-2-1-3-5;1-2/h5H,1H2;1-2H3",71.02920999999999,68.84209,
9232,[C:1]([C:2]([C@@:3]([O:4][H:14])([C:5]([C:6]#[N:7])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](=[C:2]([H:11])[H:12])([H:8])[H:9].[C:3](\[O:4][H:14])(=[C:5](/[C:6]#[N:7])[H:16])[H:13].[H:10][H:15],"InChI=1S/C5H9NO/c1-2-5(7)3-4-6/h5,7H,2-3H2,1H3/t5-/m1/s1","InChI=1S/C3H3NO.C2H4.H2/c4-2-1-3-5;1-2;/h1,3,5H;1-2H2;1H/b3-1+;;",74.01844,47.43699,
9233,[C:1]([C:2]([C@@:3]([O:4][H:14])([C:5]([C:6]#[N:7])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:3](/[C:5]([C:6]#[N:7])([H:15])[H:16])[H:13])[H:11])([H:8])([H:9])[H:10].[O:4]([H:12])[H:14],"InChI=1S/C5H9NO/c1-2-5(7)3-4-6/h5,7H,2-3H2,1H3/t5-/m1/s1","InChI=1S/C5H7N.H2O/c1-2-3-4-5-6;/h2-3H,4H2,1H3;1H2/b3-2+;",62.76491,12.16361,"1,3_Insertion_ROR"
9234,[C:1]([C:2]([C@@:3]([O:4][H:14])([C:5]([C:6]#[N:7])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3](=[O:4])[C:5]([C:6]#[N:7])([H:15])[H:16])([H:11])[H:13])([H:8])([H:9])[H:10].[H:12][H:14],"InChI=1S/C5H9NO/c1-2-5(7)3-4-6/h5,7H,2-3H2,1H3/t5-/m1/s1","InChI=1S/C5H7NO.H2/c1-2-5(7)3-4-6;/h2-3H2,1H3;1H",75.21539,15.663129999999999,
9235,[C:1]([C:2]([C@@:3]([O:4][H:14])([C:5]([C:6]#[N:7])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3](=[O:4])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10].[C:5](=[C:6]=[N:7][H:14])([H:15])[H:16],"InChI=1S/C5H9NO/c1-2-5(7)3-4-6/h5,7H,2-3H2,1H3/t5-/m1/s1","InChI=1S/C3H6O.C2H3N/c1-2-3-4;1-2-3/h3H,2H2,1H3;3H,1H2",31.106759999999998,30.878259999999997,Retroene
9236,[C:1]([C:2]([C@@:3]([O:4][H:14])([C:5]([C:6]#[N:7])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:3]1([H:13])[O:4]/[C:6](=[N:7]\[H:14])[C:5]1([H:15])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-2-5(7)3-4-6/h5,7H,2-3H2,1H3/t5-/m1/s1","InChI=1S/C5H9NO/c1-2-4-3-5(6)7-4/h4,6H,2-3H2,1H3/b6-5-/t4-/m1/s1",67.03809,8.116760000000001,
9237,[C:1]([C:2]([C@@:3]([O:4][H:14])([C:5]([C:6]#[N:7])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:3]([O:4][H:14])([C:5](=[C:6]=[N:7][H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-2-5(7)3-4-6/h5,7H,2-3H2,1H3/t5-/m1/s1","InChI=1S/C5H9NO/c1-2-5(7)3-4-6/h3,5-7H,2H2,1H3/t5-/m1/s1",81.84105,21.06221,
9238,[C:1]([C:2]([C@@:3]([O:4][H:14])([C:5]([C:6]#[N:7])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](=[C:2]([H:11])[H:12])([H:8])[H:9].[C:3](=[O:4])([C:5]([C:6]#[N:7])([H:15])[H:16])[H:13].[H:10][H:14],"InChI=1S/C5H9NO/c1-2-5(7)3-4-6/h5,7H,2-3H2,1H3/t5-/m1/s1","InChI=1S/C3H3NO.C2H4.H2/c4-2-1-3-5;1-2;/h3H,1H2;1-2H2;1H",64.0546,48.07638,
9239,[C:1]([C:2]([C@@:3]([O:4][H:14])([C:5]([C:6]#[N:7])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2](/[C:3](=[C:5](\[C:6]#[N:7])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10].[O:4]([H:14])[H:15],"InChI=1S/C5H9NO/c1-2-5(7)3-4-6/h5,7H,2-3H2,1H3/t5-/m1/s1","InChI=1S/C5H7N.H2O/c1-2-3-4-5-6;/h3-4H,2H2,1H3;1H2/b4-3-;",50.837709999999994,9.43251,"1,3_Insertion_ROR"
9240,[C:1]([C:2]([C@@:3]([O:4][H:14])([C:5]([C:6]#[N:7])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:4][H:14])([H:8])([H:9])[H:10].[C:2](=[C:3]([C:5]([C:6]#[N:7])([H:15])[H:16])[H:13])([H:11])[H:12],"InChI=1S/C5H9NO/c1-2-5(7)3-4-6/h5,7H,2-3H2,1H3/t5-/m1/s1","InChI=1S/C4H5N.CH4O/c1-2-3-4-5;1-2/h2H,1,3H2;2H,1H3",96.35978,28.907840000000004,"1,3_Insertion_ROR"
9241,[N:1]([c:2]1[c:3]([H:10])[n:4][c:5]([H:11])[n:6][n:7]1)([H:8])[H:9],[N:1]([C:2]1=[C:3]=[N+:4]([H:10])[C:5]([H:11])=[N:6][N-:7]1)([H:8])[H:9],"InChI=1S/C3H4N4/c4-3-1-5-2-6-7-3/h1-2H,(H2,4,7)","InChI=1S/C3H3N4/c4-3-1-5-2-6-7-3/h2H,4H2/q-1/p+1",82.5744,37.55214,
9242,[N:1]([c:2]1[c:3]([H:10])[n:4][c:5]([H:11])[n:6][n:7]1)([H:8])[H:9],[N:1]([C:2]1=[C:3]=[N:4][C:5]([H:11])=[N:6][N:7]1[H:10])([H:8])[H:9],"InChI=1S/C3H4N4/c4-3-1-5-2-6-7-3/h1-2H,(H2,4,7)","InChI=1S/C3H4N4/c4-3-1-5-2-6-7-3/h2,7H,4H2",103.52812,49.26833,
9243,[N:1]([c:2]1[c:3]([H:10])[n:4][c:5]([H:11])[n:6][n:7]1)([H:8])[H:9],[N:1](=[C:2]1/[C:3]([H:8])([H:10])[N:4]=[C:5]([H:11])[N:6]=[N:7]1)\[H:9],"InChI=1S/C3H4N4/c4-3-1-5-2-6-7-3/h1-2H,(H2,4,7)","InChI=1S/C3H4N4/c4-3-1-5-2-6-7-3/h2,4H,1H2/b4-3-",71.32261,37.44596,
9244,[N:1]([c:2]1[c:3]([H:10])[n:4][c:5]([H:11])[n:6][n:7]1)([H:8])[H:9],[N+:1]1([H:8])([H:9])[C-:2]=[C:3]([H:10])[N:4]=[C:5]1[H:11].[N:6]#[N:7],"InChI=1S/C3H4N4/c4-3-1-5-2-6-7-3/h1-2H,(H2,4,7)","InChI=1S/C3H4N2.N2/c1-2-5-3-4-1;1-2/h1,3H,5H2;",75.87014,49.9532,
9245,[N:1]([c:2]1[c:3]([H:10])[n:4][c:5]([H:11])[n:6][n:7]1)([H:8])[H:9],[N:1]([C:2]1=[C:3]([H:10])[N:4]=[C:5]([H:11])[N+:6]1=[N-:7])([H:8])[H:9],"InChI=1S/C3H4N4/c4-3-1-5-2-6-7-3/h1-2H,(H2,4,7)","InChI=1S/C3H4N4/c4-3-1-6-2-7(3)5/h1-2H,4H2",65.13537,54.43594,
9246,[N:1]([c:2]1[c:3]([H:10])[n:4][c:5]([H:11])[n:6][n:7]1)([H:8])[H:9],[N:1]([C:2]1=[N:7][N:6]=[C:5]=[N:4][C:3]1([H:10])[H:11])([H:8])[H:9],"InChI=1S/C3H4N4/c4-3-1-5-2-6-7-3/h1-2H,(H2,4,7)","InChI=1S/C3H4N4/c4-3-1-5-2-6-7-3/h1H2,(H2,4,7)",112.81776,55.6075,
9247,[N:1]([c:2]1[c:3]([H:10])[n:4][c:5]([H:11])[n:6][n:7]1)([H:8])[H:9],[N:1](=[C:2]1\[C:3]([H:10])=[N:4][C:5]([H:9])([H:11])[N:6]=[N:7]1)\[H:8],"InChI=1S/C3H4N4/c4-3-1-5-2-6-7-3/h1-2H,(H2,4,7)","InChI=1S/C3H4N4/c4-3-1-5-2-6-7-3/h1,4H,2H2/b4-3+",80.45496999999999,38.71239,
9248,[N:1]([c:2]1[c:3]([H:10])[n:4][c:5]([H:11])[n:6][n:7]1)([H:8])[H:9],[N:1]([C:2]1=[C:3]([H:10])[N:4]=[C:5]=[N+:6]([H:11])[N-:7]1)([H:8])[H:9],"InChI=1S/C3H4N4/c4-3-1-5-2-6-7-3/h1-2H,(H2,4,7)","InChI=1S/C3H4N4/c4-3-1-5-2-6-7-3/h1,6H,4H2",82.11832,41.124309999999994,
9249,[N:1]([c:2]1[c:3]([H:10])[n:4][c:5]([H:11])[n:6][n:7]1)([H:8])[H:9],[N:1]([C:2]1=[N:7][N:6]2[C@@:3]1([H:10])[N:4]=[C:5]2[H:11])([H:8])[H:9],"InChI=1S/C3H4N4/c4-3-1-5-2-6-7-3/h1-2H,(H2,4,7)","InChI=1S/C3H4N4/c4-2-3-5-1-7(3)6-2/h1,3H,(H2,4,6)/t3-/m1/s1",90.97055999999999,65.2381,
9250,[N:1]([c:2]1[c:3]([H:10])[n:4][c:5]([H:11])[n:6][n:7]1)([H:8])[H:9],[N:1]([C:2]1=[C:3]([H:10])[N+:4]([H:11])=[C:5]=[N:6][N-:7]1)([H:8])[H:9],"InChI=1S/C3H4N4/c4-3-1-5-2-6-7-3/h1-2H,(H2,4,7)","InChI=1S/C3H3N4/c4-3-1-5-2-6-7-3/h1H,4H2/q-1/p+1",89.59406,53.290319999999994,
9251,[N:1]([c:2]1[c:3]([H:10])[n:4][c:5]([H:11])[n:6][n:7]1)([H:8])[H:9],[N:1]([C@:2]1([N-:7][N+:6]#[C:5][H:11])[C:3]([H:10])=[N:4]1)([H:8])[H:9],"InChI=1S/C3H4N4/c4-3-1-5-2-6-7-3/h1-2H,(H2,4,7)","InChI=1S/C3H4N4/c1-5-7-3(4)2-6-3/h1-2H,4H2/t3-/m1/s1",92.91601999999999,84.96211,
9252,[N:1]([c:2]1[c:3]([H:10])[n:4][c:5]([H:11])[n:6][n:7]1)([H:8])[H:9],[N:1]([C-:2]=[C:3]([N+:4]#[C:5][H:11])[H:10])([H:8])[H:9].[N:6]#[N:7],"InChI=1S/C3H4N4/c4-3-1-5-2-6-7-3/h1-2H,(H2,4,7)","InChI=1S/C3H4N2.N2/c1-5-3-2-4;1-2/h1,3H,4H2;",60.939809999999994,51.93833,
9253,[N:1]([c:2]1[c:3]([H:10])[n:4][c:5]([H:11])[n:6][n:7]1)([H:8])[H:9],[N:1]([C:2]/[C:3](=[N:4]/[C-:5]([N+:6]#[N:7])[H:11])[H:10])([H:8])[H:9],"InChI=1S/C3H4N4/c4-3-1-5-2-6-7-3/h1-2H,(H2,4,7)","InChI=1S/C3H4N4/c4-1-2-6-3-7-5/h2-3H,4H2/b6-2+",80.52904000000001,72.33258000000001,
9254,[N:1]([c:2]1[c:3]([H:10])[n:4][c:5]([H:11])[n:6][n:7]1)([H:8])[H:9],[N:1]([C:2]1=[C:3]=[N:4][C:5]([H:11])=[N+:6]([H:10])[N-:7]1)([H:8])[H:9],"InChI=1S/C3H4N4/c4-3-1-5-2-6-7-3/h1-2H,(H2,4,7)","InChI=1S/C3H4N4/c4-3-1-5-2-6-7-3/h2,6H,4H2",108.43271000000001,49.17218,
9255,[N:1]([c:2]1[c:3]([H:10])[n:4][c:5]([H:11])[n:6][n:7]1)([H:8])[H:9],[N:1](=[C:2]([C:3](=[N:4]\[C-:5]([N+:6]#[N:7])[H:11])/[H:10])\[H:8])\[H:9],"InChI=1S/C3H4N4/c4-3-1-5-2-6-7-3/h1-2H,(H2,4,7)","InChI=1S/C3H4N4/c4-1-2-6-3-7-5/h1-4H/b4-1+,6-2-",84.47861999999999,37.171079999999996,
9256,[N:1]([c:2]1[c:3]([H:10])[n:4][c:5]([H:11])[n:6][n:7]1)([H:8])[H:9],[N:1]([C@:2]12[C@:3]3([H:10])[N:4]=[C:5]([H:11])[N:6]1[N:7]23)([H:8])[H:9],"InChI=1S/C3H4N4/c4-3-1-5-2-6-7-3/h1-2H,(H2,4,7)","InChI=1S/C3H4N4/c4-3-2-5-1-6(3)7(2)3/h1-2H,4H2/t2-,3-,6?,7?/m1/s1",71.90086,69.57708000000001,
9257,[N:1]([c:2]1[c:3]([H:10])[n:4][c:5]([H:11])[n:6][n:7]1)([H:8])[H:9],[N:1]([C:2](=[C:3]([N+:4]#[C:5][H:11])[H:10])[N:7]=[N-:6])([H:8])[H:9],"InChI=1S/C3H4N4/c4-3-1-5-2-6-7-3/h1-2H,(H2,4,7)","InChI=1S/C3H4N4/c1-6-2-3(4)7-5/h1-2H,4H2",66.82306,67.34696,
9258,[N:1]([c:2]1[c:3]([H:10])[n:4][c:5]([H:11])[n:6][n:7]1)([H:8])[H:9],[C:3](#[N:4])[H:10].[C:5](#[N:6])[H:11].[N:1]([C:2]#[N:7])([H:8])[H:9],"InChI=1S/C3H4N4/c4-3-1-5-2-6-7-3/h1-2H,(H2,4,7)",InChI=1S/CH2N2.2CHN/c2-1-3;2*1-2/h2H2;2*1H,77.03581,30.569329999999997,
9259,[N:1]([c:2]1[c:3]([H:10])[n:4][c:5]([H:11])[n:6][n:7]1)([H:8])[H:9],[N:1]([N:4]1[C:3]([H:10])=[C:2]=[N:7][N:6]=[C:5]1[H:11])([H:8])[H:9],"InChI=1S/C3H4N4/c4-3-1-5-2-6-7-3/h1-2H,(H2,4,7)","InChI=1S/C3H4N4/c4-7-2-1-5-6-3-7/h2-3H,4H2",153.5064,86.75113,
9260,[N:1]([c:2]1[c:3]([H:10])[n:4][c:5]([H:11])[n:6][n:7]1)([H:8])[H:9],[N:1]([C:2](/[C:3](=[N:4]\[C:5](=[N:6])[H:11])[H:10])=[N:7])([H:8])[H:9],"InChI=1S/C3H4N4/c4-3-1-5-2-6-7-3/h1-2H,(H2,4,7)","InChI=1S/C3H4N4/c4-2-7-1-3(5)6/h1-2H,5H2/b7-1-",86.59573,77.87194000000001,
9261,[N:1]([c:2]1[c:3]([H:10])[n:4][c:5]([H:11])[n:6][n:7]1)([H:8])[H:9],[N+:1]([C:2]1=[C:3]=[N:4][C:5]([H:11])=[N:6][N-:7]1)([H:8])([H:9])[H:10],"InChI=1S/C3H4N4/c4-3-1-5-2-6-7-3/h1-2H,(H2,4,7)","InChI=1S/C3H3N4/c4-3-1-5-2-6-7-3/h2H,4H2/q-1/p+1",75.6674,73.63141,
9262,[N:1]([c:2]1[c:3]([H:10])[n:4][c:5]([H:11])[n:6][n:7]1)([H:8])[H:9],[N:1]([C-:2](/[N:7]=[N+:6]=[C:5]([N+:4]#[C-:3])[H:11])[H:10])([H:8])[H:9],"InChI=1S/C3H4N4/c4-3-1-5-2-6-7-3/h1-2H,(H2,4,7)","InChI=1S/C3H4N4/c1-5-3-7-6-2-4/h2-3H,4H2",86.47819,45.66263,
9263,[N:1]([c:2]1[c:3]([H:10])[n:4][c:5]([H:11])[n:6][n:7]1)([H:8])[H:9],[N:1]([C:2](=[C:3](/[N+:4]#[C-:5])[H:10])/[N:7]=[N:6]\[H:11])([H:8])[H:9],"InChI=1S/C3H4N4/c4-3-1-5-2-6-7-3/h1-2H,(H2,4,7)","InChI=1S/C3H4N4/c1-6-2-3(4)7-5/h2,5H,4H2/b3-2-,7-5-",77.7611,60.140809999999995,
9264,[N:1]([c:2]1[c:3]([H:10])[n:4][c:5]([H:11])[n:6][n:7]1)([H:8])[H:9],[N:1]([C:2](=[C:3]=[N:4][C:5](=[N+:6]=[N-:7])[H:11])[H:10])([H:8])[H:9],"InChI=1S/C3H4N4/c4-3-1-5-2-6-7-3/h1-2H,(H2,4,7)","InChI=1S/C3H4N4/c4-1-2-6-3-7-5/h1,3H,4H2",89.71894,51.52493,
9265,[N:1]([c:2]1[c:3]([H:10])[n:4][c:5]([H:11])[n:6][n:7]1)([H:8])[H:9],[N:1](/[N:7]=[C:2]1\[C:3]([H:10])=[N:4][C:5]([H:11])=[N:6]1)([H:8])[H:9],"InChI=1S/C3H4N4/c4-3-1-5-2-6-7-3/h1-2H,(H2,4,7)","InChI=1S/C3H4N4/c4-7-3-1-5-2-6-3/h1-2H,4H2/b7-3+",110.24906999999999,19.03826,
9266,[N:1]([c:2]1[c:3]([H:10])[n:4][c:5]([H:11])[n:6][n:7]1)([H:8])[H:9],[N:1]([c:2]1[c:3]([H:10])[n:4]2[c:5]([H:11])[n:6][n:7]12)([H:8])[H:9],"InChI=1S/C3H4N4/c4-3-1-5-2-6-7-3/h1-2H,(H2,4,7)","InChI=1S/C3H4N4/c4-3-1-6-2-5-7(3)6/h1-2H,4H2",108.18381000000001,91.50054,
9267,[N:1]([c:2]1[c:3]([H:10])[n:4][c:5]([H:11])[n:6][n:7]1)([H:8])[H:9],[N:1]([C:2]1=[C:3]=[N:4][C:5]([H:10])([H:11])[N:6]=[N:7]1)([H:8])[H:9],"InChI=1S/C3H4N4/c4-3-1-5-2-6-7-3/h1-2H,(H2,4,7)","InChI=1S/C3H4N4/c4-3-1-5-2-6-7-3/h2,4H2",103.8695,63.24286,
9268,[N:1]([c:2]1[c:3]([H:10])[n:4][c:5]([H:11])[n:6][n:7]1)([H:8])[H:9],[N:1]([C:2](/[C:3](=[N:4]\[H:11])[H:10])=[N:7]/[N+:6]#[C-:5])([H:8])[H:9],"InChI=1S/C3H4N4/c4-3-1-5-2-6-7-3/h1-2H,(H2,4,7)","InChI=1S/C3H4N4/c1-6-7-3(5)2-4/h2,4H,(H2,5,7)/b4-2-",80.68835,44.01177,
9269,[N:1]([c:2]1[c:3]([H:10])[n:4][c:5]([H:11])[n:6][n:7]1)([H:8])[H:9],[N:1](=[c:2]1\[c:3]([H:10])[n:4][c:5]([H:11])[n:6][n:7]1[H:9])\[H:8],"InChI=1S/C3H4N4/c4-3-1-5-2-6-7-3/h1-2H,(H2,4,7)","InChI=1S/C3H4N4/c4-3-1-5-2-6-7-3/h1-2H,(H2,4,7)",40.29176,6.713369999999999,
9270,[C:1]([C@@:2]([O:3][H:11])([C:4]([N:5]([H:14])[H:15])([H:12])[H:13])[C:6]#[N:7])([H:8])([H:9])[H:10],[C:1]([N:7]=[C:6]=[C:2]([O:3][H:11])[C:4]([N:5]([H:14])[H:15])([H:12])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H8N2O/c1-4(7,2-5)3-6/h7H,2,5H2,1H3/t4-/m1/s1","InChI=1S/C4H8N2O/c1-6-3-4(7)2-5/h7H,2,5H2,1H3",74.98007,28.269820000000003,
9271,[C:1]([C@@:2]([O:3][H:11])([C:4]([N:5]([H:14])[H:15])([H:12])[H:13])[C:6]#[N:7])([H:8])([H:9])[H:10],[C+:2]([O:3][H:11])=[C:6]=[N-:7].[C:1]([C:4]([N:5]([H:14])[H:15])([H:12])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H8N2O/c1-4(7,2-5)3-6/h7H,2,5H2,1H3/t4-/m1/s1","InChI=1S/C2HNO.C2H7N/c3-1-2-4;1-2-3/h4H;2-3H2,1H3",104.17967,67.78766,
9272,[C:1]([C@@:2]([O:3][H:11])([C:4]([N:5]([H:14])[H:15])([H:12])[H:13])[C:6]#[N:7])([H:8])([H:9])[H:10],[C:1]([C:2]([C:4]([N:5]([H:14])[H:15])([H:12])[H:13])=[C:6]=[N:7][O:3][H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H8N2O/c1-4(7,2-5)3-6/h7H,2,5H2,1H3/t4-/m1/s1","InChI=1S/C4H8N2O/c1-4(2-5)3-6-7/h7H,2,5H2,1H3",80.89108,54.53179,
9273,[C:1]([C@@:2]([O:3][H:11])([C:4]([N:5]([H:14])[H:15])([H:12])[H:13])[C:6]#[N:7])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([O:3][H:11])[C:6]([H:15])=[N:7]1)([H:8])([H:9])[H:10].[C:4](=[N:5][H:14])([H:12])[H:13],"InChI=1S/C4H8N2O/c1-4(7,2-5)3-6/h7H,2,5H2,1H3/t4-/m1/s1","InChI=1S/C3H5NO.CH3N/c1-3(5)2-4-3;1-2/h2,5H,1H3;2H,1H2/t3-;/m1./s1",69.73021,55.054559999999995,
9274,[C:1]([C@@:2]([O:3][H:11])([C:4]([N:5]([H:14])[H:15])([H:12])[H:13])[C:6]#[N:7])([H:8])([H:9])[H:10],[C:1]([C@:2]1([C:6]#[N:7])[C:4]([H:12])([H:13])[N:5]1[H:14])([H:8])([H:9])[H:10].[O:3]([H:11])[H:15],"InChI=1S/C4H8N2O/c1-4(7,2-5)3-6/h7H,2,5H2,1H3/t4-/m1/s1","InChI=1S/C4H6N2.H2O/c1-4(2-5)3-6-4;/h6H,3H2,1H3;1H2/t4-;/m0./s1",61.81618,25.3041,
9275,[C:1]([C@@:2]([O:3][H:11])([C:4]([N:5]([H:14])[H:15])([H:12])[H:13])[C:6]#[N:7])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:15].[C:2](=[O:3])([C:4]([N:5]([H:11])[H:14])([H:12])[H:13])[C:6]#[N:7],"InChI=1S/C4H8N2O/c1-4(7,2-5)3-6/h7H,2,5H2,1H3/t4-/m1/s1","InChI=1S/C3H4N2O.CH4/c4-1-3(6)2-5;/h1,4H2;1H4",77.06524,12.01276,
9276,[C:1]([C@@:2]([O:3][H:11])([C:4]([N:5]([H:14])[H:15])([H:12])[H:13])[C:6]#[N:7])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[N:5]([H:15])[N:7]([H:14])[C:6]1)([H:8])([H:9])[H:10],"InChI=1S/C4H8N2O/c1-4(7,2-5)3-6/h7H,2,5H2,1H3/t4-/m1/s1","InChI=1S/C4H8N2O/c1-4(7)2-5-6-3-4/h5-7H,2H2,1H3/t4-/m1/s1",70.9097,64.46504,
9277,[C:1]([C@@:2]([O:3][H:11])([C:4]([N:5]([H:14])[H:15])([H:12])[H:13])[C:6]#[N:7])([H:8])([H:9])[H:10],[C:1]([C:2]([O:3][H:11])=[C:6]=[N:7][H:15])([H:8])([H:9])[H:10].[C:4](=[N:5][H:14])([H:12])[H:13],"InChI=1S/C4H8N2O/c1-4(7,2-5)3-6/h7H,2,5H2,1H3/t4-/m1/s1","InChI=1S/C3H5NO.CH3N/c1-3(5)2-4;1-2/h4-5H,1H3;2H,1H2",39.8808,43.780440000000006,Retroene
9278,[C:1]([C@@:2]([O:3][H:11])([C:4]([N:5]([H:14])[H:15])([H:12])[H:13])[C:6]#[N:7])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([O:3][H:11])[C:6]([C:4]([N:5]([H:14])[H:15])([H:12])[H:13])=[N:7]1)([H:8])([H:9])[H:10],"InChI=1S/C4H8N2O/c1-4(7,2-5)3-6/h7H,2,5H2,1H3/t4-/m1/s1","InChI=1S/C4H8N2O/c1-4(7)3(2-5)6-4/h7H,2,5H2,1H3/t4-/m1/s1",56.412780000000005,32.075340000000004,
9279,[C:1]([C@@:2]([O:3][H:11])([C:4]([N:5]([H:14])[H:15])([H:12])[H:13])[C:6]#[N:7])([H:8])([H:9])[H:10],[C:1]([C:2](=[O:3])[C:6]#[N:7])([H:8])([H:9])[H:10].[C:4]([N:5]([H:11])[H:15])([H:12])([H:13])[H:14],"InChI=1S/C4H8N2O/c1-4(7,2-5)3-6/h7H,2,5H2,1H3/t4-/m1/s1","InChI=1S/C3H3NO.CH5N/c1-3(5)2-4;1-2/h1H3;2H2,1H3",74.30768,16.05658,
9280,[C:1]([C@@:2]([O:3][H:11])([C:4]([N:5]([H:14])[H:15])([H:12])[H:13])[C:6]#[N:7])([H:8])([H:9])[H:10],[C:1](=[C:2]([C:4]([N:5]([H:14])[H:15])([H:12])[H:13])[C:6]#[N:7])([H:8])[H:10].[O:3]([H:9])[H:11],"InChI=1S/C4H8N2O/c1-4(7,2-5)3-6/h7H,2,5H2,1H3/t4-/m1/s1","InChI=1S/C4H6N2.H2O/c1-4(2-5)3-6;/h1-2,5H2;1H2",60.375780000000006,13.123529999999999,"1,3_Insertion_ROR"
9281,[C:1]([C@@:2]([O:3][H:11])([C:4]([N:5]([H:14])[H:15])([H:12])[H:13])[C:6]#[N:7])([H:8])([H:9])[H:10],[C:1]([C@:2]1([C:4]([N:5]([H:14])[H:15])([H:12])[H:13])[C:6]([O:3][H:11])=[N:7]1)([H:8])([H:9])[H:10],"InChI=1S/C4H8N2O/c1-4(7,2-5)3-6/h7H,2,5H2,1H3/t4-/m1/s1","InChI=1S/C4H8N2O/c1-4(2-5)3(7)6-4/h2,5H2,1H3,(H,6,7)/t4-/m0/s1",69.79949,30.610640000000004,
9282,[C:1]([C@@:2]([O:3][H:11])([C:4]([N:5]([H:14])[H:15])([H:12])[H:13])[C:6]#[N:7])([H:8])([H:9])[H:10],[C:1]([C:2]([O:3][H:11])=[C:4]([H:12])[H:13])([H:8])([H:9])[H:10].[N:5]([C:6]#[N:7])([H:14])[H:15],"InChI=1S/C4H8N2O/c1-4(7,2-5)3-6/h7H,2,5H2,1H3/t4-/m1/s1","InChI=1S/C3H6O.CH2N2/c1-3(2)4;2-1-3/h4H,1H2,2H3;2H2",66.76256,15.052879999999998,
9283,[C:1]([C@@:2]([O:3][H:11])([C:4]([N:5]([H:14])[H:15])([H:12])[H:13])[C:6]#[N:7])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[N:5]([H:15])/[C:6]1=[N:7]\[H:14])([H:8])([H:9])[H:10],"InChI=1S/C4H8N2O/c1-4(7,2-5)3-6/h7H,2,5H2,1H3/t4-/m1/s1","InChI=1S/C4H8N2O/c1-4(7)2-6-3(4)5/h7H,2H2,1H3,(H2,5,6)/t4-/m1/s1",86.3887,9.99639,
9284,[C:1]([C@@:2]([O:3][H:11])([C:4]([N:5]([H:14])[H:15])([H:12])[H:13])[C:6]#[N:7])([H:8])([H:9])[H:10],[C:1]([C@:2]([O:3][H:11])(/[C:4](=[N:5]/[H:14])[H:13])[H:12])([H:8])([H:9])[H:10].[C:6](#[N:7])[H:15],"InChI=1S/C4H8N2O/c1-4(7,2-5)3-6/h7H,2,5H2,1H3/t4-/m1/s1","InChI=1S/C3H7NO.CHN/c1-3(5)2-4;1-2/h2-5H,1H3;1H/b4-2+;/t3-;/m0./s1",62.92575,22.79949,
9285,[C:1]([C@@:2]([O:3][H:11])([C:4]([N:5]([H:14])[H:15])([H:12])[H:13])[C:6]#[N:7])([H:8])([H:9])[H:10],[C:1]([C@@:2]([O:3][H:11])(/[C:4](=[N:5]/[H:14])[H:12])[C:6]#[N:7])([H:8])([H:9])[H:10].[H:13][H:15],"InChI=1S/C4H8N2O/c1-4(7,2-5)3-6/h7H,2,5H2,1H3/t4-/m1/s1","InChI=1S/C4H6N2O.H2/c1-4(7,2-5)3-6;/h2,5,7H,1H3;1H/b5-2+;/t4-;/m1./s1",97.03109,23.05161,
9286,[C:1]([C@@:2]1([H:11])[C:3]([H:12])=[C:4]([H:13])[N:5]([H:14])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]1([H:9])([H:10])[C@:2](/[C:3](=[C:4](\[N:5]([H:8])[H:14])[H:13])[H:12])([H:11])[C:6]1=[O:7],"InChI=1S/C5H7NO/c1-4-2-3-6-5(4)7/h2-4H,1H3,(H,6,7)/t4-/m0/s1","InChI=1S/C5H7NO/c6-2-1-4-3-5(4)7/h1-2,4H,3,6H2/b2-1-/t4-/m1/s1",88.02218,44.29932,
9287,[C:1]([C@@:2]1([H:11])[C:3]([H:12])=[C:4]([H:13])[N:5]([H:14])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])=[C-:4][N:5]([H:14])[C+:6]1[O:7][H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-3-6-5(4)7/h2-4H,1H3,(H,6,7)/t4-/m0/s1","InChI=1S/C5H7NO/c1-4-2-3-6-5(4)7/h2,4,6-7H,1H3/t4-/m0/s1",126.07483,75.12516,
9288,[C:1]([C@@:2]1([H:11])[C:3]([H:12])=[C:4]([H:13])[N:5]([H:14])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([C:6](/[C:2](=[C:3]([C:4](=[N:5]\[H:14])\[H:13])/[H:12])[H:11])=[O:7])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-3-6-5(4)7/h2-4H,1H3,(H,6,7)/t4-/m0/s1","InChI=1S/C5H7NO/c1-5(7)3-2-4-6/h2-4,6H,1H3/b3-2-,6-4+",52.83988000000001,25.528760000000002,
9289,[C:1]([C@@:2]1([H:11])[C:3]([H:12])=[C:4]([H:13])[N:5]([H:14])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([c:2]1[c:3]([H:12])[c:4]([H:13])[n:5]([H:14])[c:6]1[O:7][H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-3-6-5(4)7/h2-4H,1H3,(H,6,7)/t4-/m0/s1","InChI=1S/C5H7NO/c1-4-2-3-6-5(4)7/h2-3,6-7H,1H3",64.41175,5.61178,ketoenol
9290,[C:1]([C@@:2]1([H:11])[C:3]([H:12])=[C:4]([H:13])[N:5]([H:14])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:3]([C:4](=[N:5]/[H:14])/[H:13])\[H:12])[C:6](=[O:7])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-3-6-5(4)7/h2-4H,1H3,(H,6,7)/t4-/m0/s1","InChI=1S/C5H7NO/c1-5(4-7)2-3-6/h2-4,6H,1H3/b5-2-,6-3+",45.072720000000004,24.55516,
9291,[C:1]([C@@:2]1([H:11])[C:3]([H:12])=[C:4]([H:13])[N:5]([H:14])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1](=[C:2]([C:3](=[C:4]([N:5]([C:6](=[O:7])[H:11])[H:14])[H:13])[H:12])[H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-3-6-5(4)7/h2-4H,1H3,(H,6,7)/t4-/m0/s1","InChI=1S/C5H7NO/c1-2-3-4-6-5-7/h2-5H,1H2,(H,6,7)",102.14479,16.956529999999997,
9292,[C:1]([C@@:2]1([H:11])[C:3]([H:12])=[C:4]([H:13])[N:5]([H:14])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])=[C:4]([H:13])[N:5]=[C:6]1[O:7][H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-3-6-5(4)7/h2-4H,1H3,(H,6,7)/t4-/m0/s1","InChI=1S/C5H7NO/c1-4-2-3-6-5(4)7/h2-4H,1H3,(H,6,7)/t4-/m0/s1",47.821329999999996,11.07888,ketoenol
9293,[C:1]([C@@:2]1([H:11])[C:3]([H:12])=[C:4]([H:13])[N:5]([H:14])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:6]([O-:7])[N+:5]([H:11])([H:14])[C:4]([H:13])=[C:3]1[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-3-6-5(4)7/h2-4H,1H3,(H,6,7)/t4-/m0/s1","InChI=1S/C5H7NO/c1-4-2-3-6-5(4)7/h2-3,6-7H,1H3",58.72439,26.9418,
9294,[C:1]([C@@:2]1([H:11])[C:3]([H:12])=[C:4]([H:13])[N:5]([H:14])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3][C:4]([H:12])([H:13])[N:5]([H:14])[C:6]1=[O:7])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-3-6-5(4)7/h2-4H,1H3,(H,6,7)/t4-/m0/s1","InChI=1S/C5H7NO/c1-4-2-3-6-5(4)7/h4H,3H2,1H3,(H,6,7)/t4-/m0/s1",69.78537,73.89287,Singlet_Carbene_Intra_Disproportionation
9295,[C:1]([C@@:2]1([H:11])[C:3]([H:12])=[C:4]([H:13])[N:5]([H:14])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C-:6]#[O+:7].[C:1](/[C:2](=[C:3]([C:4](=[N:5]/[H:14])/[H:13])\[H:12])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-3-6-5(4)7/h2-4H,1H3,(H,6,7)/t4-/m0/s1","InChI=1S/C4H7N.CO/c1-2-3-4-5;1-2/h2-5H,1H3;/b3-2+,5-4+;",47.0398,26.492829999999998,
9296,[C:1]([C@@:2]1([H:11])[C:3]([H:12])=[C:4]([H:13])[N:5]([H:14])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:14])[C:4]([H:13])=[N:5][C:6]1=[O:7])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-3-6-5(4)7/h2-4H,1H3,(H,6,7)/t4-/m0/s1","InChI=1S/C5H7NO/c1-4-2-3-6-5(4)7/h3-4H,2H2,1H3/t4-/m0/s1",72.23768000000001,5.95824,
9297,[C:1]([C@@:2]1([H:11])[C:3]([H:12])=[C:4]([H:13])[N:5]([H:14])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:11].[C:2]1=[C:3]([H:12])[C:4]([H:13])=[N+:5]([H:14])[C:6]=1[O-:7],"InChI=1S/C5H7NO/c1-4-2-3-6-5(4)7/h2-4H,1H3,(H,6,7)/t4-/m0/s1","InChI=1S/C4H3NO.CH4/c6-4-2-1-3-5-4;/h1,3,6H;1H4",74.34209,54.34864,
9298,[C:1]([C@@:2]1([H:11])[C:3]([H:12])=[C:4]([H:13])[N:5]([H:14])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C@@:3](/[C:4](=[N:5]/[H:14])[H:13])([H:12])[C:6]1=[O:7])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-3-6-5(4)7/h2-4H,1H3,(H,6,7)/t4-/m0/s1","InChI=1S/C5H7NO/c1-3-4(2-6)5(3)7/h2-4,6H,1H3/b6-2+/t3-,4-/m0/s1",59.89191999999999,42.984429999999996,
9299,[C:1]([C@@:2]1([H:11])[C:3]([H:12])=[C:4]([H:13])[N:5]([H:14])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C-:3]=[C:4]([H:13])[N:5]([H:14])[C+:6]1[O:7][H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-3-6-5(4)7/h2-4H,1H3,(H,6,7)/t4-/m0/s1","InChI=1S/C5H7NO/c1-4-2-3-6-5(4)7/h3-4,6-7H,1H3/t4-/m0/s1",128.44713000000002,78.73986,
9300,[C:1]([C@@:2]1([H:11])[C:3]([H:12])=[C:4]([H:13])[N:5]([H:14])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([C@:3]1([H:12])[C:2]([H:11])=[C:6]([O-:7])[N+:5]([H:14])=[C:4]1[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-3-6-5(4)7/h2-4H,1H3,(H,6,7)/t4-/m0/s1","InChI=1S/C5H7NO/c1-4-2-5(7)6-3-4/h2-4,7H,1H3/t4-/m1/s1",64.40855,29.658309999999997,
9301,[C:1]([C@@:2]1([H:11])[C:3]([H:12])=[C:4]([H:13])[N:5]([H:14])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C-:4]=[N+:5]([H:14])[C:6]1=[O:7])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-3-6-5(4)7/h2-4H,1H3,(H,6,7)/t4-/m0/s1","InChI=1S/C5H7NO/c1-4-2-3-6-5(4)7/h4,6H,2H2,1H3/t4-/m0/s1",58.928630000000005,38.767920000000004,Singlet_Carbene_Intra_Disproportionation
9302,[C:1]([C@@:2]1([H:11])[C:3]([H:12])=[C:4]([H:13])[N:5]([H:14])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])=[C:4]([H:13])[O:7]/[C:6]1=[N:5]\[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-3-6-5(4)7/h2-4H,1H3,(H,6,7)/t4-/m0/s1","InChI=1S/C5H7NO/c1-4-2-3-7-5(4)6/h2-4,6H,1H3/b6-5-/t4-/m0/s1",111.10576,15.86922,ketoenol
9303,[C:1]([C@@:2]1([H:11])[C:3]([H:12])=[C:4]([H:13])[N:5]([H:14])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:6]1/[N:5]([H:14])[C:4]([H:13])=[C:3]([H:12])[O:7]1)[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-3-6-5(4)7/h2-4H,1H3,(H,6,7)/t4-/m0/s1","InChI=1S/C5H7NO/c1-2-5-6-3-4-7-5/h2-4,6H,1H3/b5-2-",117.09123999999998,31.3342,ketoenol
9304,[C:1]([C@@:2]1([H:11])[C:3]([H:12])=[C:4]([H:13])[N:5]([H:14])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])/[C:6](=[N:5]/[H:14])[O:7]1)([H:8])([H:9])[H:10].[C:3](#[C:4][H:13])[H:12],"InChI=1S/C5H7NO/c1-4-2-3-6-5(4)7/h2-4H,1H3,(H,6,7)/t4-/m0/s1","InChI=1S/C3H5NO.C2H2/c1-2-3(4)5-2;1-2/h2,4H,1H3;1-2H/b4-3-;/t2-;/m0./s1",103.10864000000001,85.11565,
9305,[C:1]([C@@:2]1([H:11])[C:3]([H:12])=[C:4]([H:13])[N:5]([H:14])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([C:2]1([H:11])[C:3]([H:12])=[C:4]1[H:13])([H:8])([H:9])[H:10].[N:5](=[C:6]=[O:7])[H:14],"InChI=1S/C5H7NO/c1-4-2-3-6-5(4)7/h2-4H,1H3,(H,6,7)/t4-/m0/s1","InChI=1S/C4H6.CHNO/c1-4-2-3-4;2-1-3/h2-4H,1H3;2H",106.68263999999999,55.91896,
9306,[C:1]([C@@:2]1([H:11])[C:3]([H:12])=[C:4]([H:13])[N:5]([H:14])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3](=[C:4]([H:12])[H:13])[N:5]([H:14])[C:6]1=[O:7])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-3-6-5(4)7/h2-4H,1H3,(H,6,7)/t4-/m0/s1","InChI=1S/C5H7NO/c1-3-4(2)6-5(3)7/h3H,2H2,1H3,(H,6,7)/t3-/m0/s1",111.3389,14.30565,
9307,[C:1]([C@@:2]1([H:11])[C:3]([H:12])=[C:4]([H:13])[N:5]([H:14])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([N+:5]1([H:14])[C:4]([H:13])=[C:3]([H:12])[C:2]([H:11])=[C:6]1[O-:7])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-3-6-5(4)7/h2-4H,1H3,(H,6,7)/t4-/m0/s1","InChI=1S/C5H7NO/c1-6-4-2-3-5(6)7/h2-4,7H,1H3",61.12601,31.847240000000003,
9308,[C:1]([C@@:2]1([H:11])[C:3]([H:12])=[C:4]([H:13])[N:5]([H:14])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:6]([O-:7])[N+:5]([H:14])=[C:4]([H:13])[C:3]1([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-3-6-5(4)7/h2-4H,1H3,(H,6,7)/t4-/m0/s1","InChI=1S/C5H7NO/c1-4-2-3-6-5(4)7/h3,7H,2H2,1H3",44.43332,27.7807,
9309,[C:1]([C@@:2]1([H:11])[C:3]([H:12])=[C:4]([H:13])[N:5]([H:14])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]1([H:9])([H:10])[C@@:2]2([H:11])[C:3]([H:12])=[C:4]([H:13])[N:5]([H:14])[C@@:6]12[O:7][H:8],"InChI=1S/C5H7NO/c1-4-2-3-6-5(4)7/h2-4H,1H3,(H,6,7)/t4-/m0/s1","InChI=1S/C5H7NO/c7-5-3-4(5)1-2-6-5/h1-2,4,6-7H,3H2/t4-,5-/m1/s1",84.26544,36.296009999999995,
9310,[C:1]([C@@:2]1([H:11])[C:3]([H:12])=[C:4]([H:13])[N:5]([H:14])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:3]([H:12])[C:4]([H:13])=[N:5][C:6]1=[O:7])([H:8])([H:9])[H:10].[H:11][H:14],"InChI=1S/C5H7NO/c1-4-2-3-6-5(4)7/h2-4H,1H3,(H,6,7)/t4-/m0/s1","InChI=1S/C5H5NO.H2/c1-4-2-3-6-5(4)7;/h2-3H,1H3;1H",71.8478,36.79271,
9311,[C:1]([C@@:2]1([H:11])[C:3]([H:12])=[C:4]([H:13])[N:5]([H:14])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C@@:3](/[C:4](=[N:5]/[H:14])[H:13])([H:12])[O+:7]=[C-:6]1)([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-3-6-5(4)7/h2-4H,1H3,(H,6,7)/t4-/m0/s1","InChI=1S/C5H7NO/c1-4-3-7-5(4)2-6/h2,4-6H,1H3/b6-2+/t4-,5+/m1/s1",101.19589,95.31603,
9312,[C:1]([C@:2]12[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C@@:5]1([H:15])[C:6]([H:16])([H:17])[O:7]2)([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:14])[C:3]([H:11])([H:12])[C:4]([H:13])=[C:5]1[H:15])([H:8])([H:9])[H:10].[C:6](=[O:7])([H:16])[H:17],"InChI=1S/C6H10O/c1-6-3-2-5(6)4-7-6/h5H,2-4H2,1H3/t5-,6-/m0/s1","InChI=1S/C5H8.CH2O/c1-5-3-2-4-5;1-2/h2-3,5H,4H2,1H3;1H2/t5-;/m1./s1",102.33556999999999,13.88959,
9313,[C:1]([C@:2]12[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C@@:5]1([H:15])[C:6]([H:16])([H:17])[O:7]2)([H:8])([H:9])[H:10],[C:1]([C@@:5]1([H:15])[C:4]([H:13])([H:14])[C:3]([H:11])([H:12])[C-:2]=[O+:7][C:6]1([H:16])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-6-3-2-5(6)4-7-6/h5H,2-4H2,1H3/t5-,6-/m0/s1","InChI=1S/C6H10O/c1-6-3-2-4-7-5-6/h6H,2-3,5H2,1H3/t6-/m0/s1",97.93215,22.40041,
9314,[C:1]([C@:2]12[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C@@:5]1([H:15])[C:6]([H:16])([H:17])[O:7]2)([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([C:4]([C:5](=[C:6]([H:16])[H:17])[H:15])([H:13])[H:14])([H:11])[H:12])=[O:7])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-6-3-2-5(6)4-7-6/h5H,2-4H2,1H3/t5-,6-/m0/s1","InChI=1S/C6H10O/c1-3-4-5-6(2)7/h3H,1,4-5H2,2H3",33.348290000000006,-29.01768,
9315,[C:1]([C@:2]12[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C@@:5]1([H:15])[C:6]([H:16])([H:17])[O:7]2)([H:8])([H:9])[H:10],[C:1]([C@:2]12[C@@:3]3([H:12])[C:4]([H:13])([H:14])[C@:5]13[C:6]([H:16])([H:17])[O:7]2)([H:8])([H:9])[H:10].[H:11][H:15],"InChI=1S/C6H10O/c1-6-3-2-5(6)4-7-6/h5H,2-4H2,1H3/t5-,6-/m0/s1","InChI=1S/C6H8O.H2/c1-5-4-2-6(4,5)3-7-5;/h4H,2-3H2,1H3;1H/t4-,5+,6-;/m1./s1",103.71887,90.16646,
9316,[C:1]([C@:2]12[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C@@:5]1([H:15])[C:6]([H:16])([H:17])[O:7]2)([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:5]([H:15])[C:6]([H:16])([H:17])[O:7]1)([H:8])([H:9])[H:10].[C:3](=[C:4]([H:13])[H:14])([H:11])[H:12],"InChI=1S/C6H10O/c1-6-3-2-5(6)4-7-6/h5H,2-4H2,1H3/t5-,6-/m0/s1","InChI=1S/C4H6O.C2H4/c1-4-2-3-5-4;1-2/h2H,3H2,1H3;1-2H2",77.49361999999999,20.2777,
9317,[C:1]([C@:2]12[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C@@:5]1([H:15])[C:6]([H:16])([H:17])[O:7]2)([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:15])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C:5][C:6]([H:16])([H:17])[O:7]1)([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-6-3-2-5(6)4-7-6/h5H,2-4H2,1H3/t5-,6-/m0/s1","InChI=1S/C6H10O/c1-6-4-2-3-5-7-6/h6H,2,4-5H2,1H3/t6-/m0/s1",66.46685,47.60705,
9318,[C:1]([C@:2]12[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C@@:5]1([H:15])[C:6]([H:16])([H:17])[O:7]2)([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:5]([H:15])[C:4]([H:13])([H:14])[C:3]1([H:11])[H:12])([H:8])([H:9])[H:10].[C:6](=[O:7])([H:16])[H:17],"InChI=1S/C6H10O/c1-6-3-2-5(6)4-7-6/h5H,2-4H2,1H3/t5-,6-/m0/s1","InChI=1S/C5H8.CH2O/c1-5-3-2-4-5;1-2/h3H,2,4H2,1H3;1H2",47.34182,10.26801,2+2_cycloaddition
9319,[C:1]([C@:2]12[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C@@:5]1([H:15])[C:6]([H:16])([H:17])[O:7]2)([H:8])([H:9])[H:10],[C:1]([C@:2]1([C:3]([C:4]([H:13])([H:14])[H:15])([H:11])[H:12])[C:5][C:6]([H:16])([H:17])[O:7]1)([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-6-3-2-5(6)4-7-6/h5H,2-4H2,1H3/t5-,6-/m0/s1","InChI=1S/C6H10O/c1-3-6(2)4-5-7-6/h3,5H2,1-2H3/t6-/m0/s1",69.77995,66.71425,
9320,[C:1]([C@:2]12[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C@@:5]1([H:15])[C:6]([H:16])([H:17])[O:7]2)([H:8])([H:9])[H:10],[C:1]([C@:2]12[C:3]([H:11])([H:12])[C:4]([H:14])=[C:5]1[C:6]([H:16])([H:17])[O:7]2)([H:8])([H:9])[H:10].[H:13][H:15],"InChI=1S/C6H10O/c1-6-3-2-5(6)4-7-6/h5H,2-4H2,1H3/t5-,6-/m0/s1","InChI=1S/C6H8O.H2/c1-6-3-2-5(6)4-7-6;/h2H,3-4H2,1H3;1H/t6-;/m0./s1",109.89691,60.20933,
9321,[C:1]([C@:2]12[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C@@:5]1([H:15])[C:6]([H:16])([H:17])[O:7]2)([H:8])([H:9])[H:10],[C:1]([O:7][C:6]([C@@:5]1([H:15])[C:2][C:3]([H:11])([H:12])[C:4]1([H:13])[H:14])([H:16])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-6-3-2-5(6)4-7-6/h5H,2-4H2,1H3/t5-,6-/m0/s1","InChI=1S/C6H10O/c1-7-5-6-3-2-4-6/h6H,2-3,5H2,1H3/t6-/m1/s1",111.04651000000001,80.83178000000001,
9322,[C:1]([C@:2]12[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C@@:5]1([H:15])[C:6]([H:16])([H:17])[O:7]2)([H:8])([H:9])[H:10],[C:1]([C:2]1=[O+:7][C-:6]([H:17])[C@@:5]1([C:4]([C:3]([H:11])([H:12])[H:16])([H:13])[H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-6-3-2-5(6)4-7-6/h5H,2-4H2,1H3/t5-,6-/m0/s1","InChI=1S/C6H10O/c1-3-6-4-7-5(6)2/h4,6H,3H2,1-2H3/t6-/m0/s1",66.24646,41.61469,
9323,[C:1]([C@:2]12[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C@@:5]1([H:15])[C:6]([H:16])([H:17])[O:7]2)([H:8])([H:9])[H:10],[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C@:4]1([H:14])[C@:5]2([C:6]([O:7][H:13])([H:16])[H:17])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-6-3-2-5(6)4-7-6/h5H,2-4H2,1H3/t5-,6-/m0/s1","InChI=1S/C6H10O/c1-6-2-4(6)5(6)3-7/h4-5,7H,2-3H2,1H3/t4-,5-,6-/m1/s1",62.62055,8.93038,
9324,[C:1]([C@:2]12[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C@@:5]1([H:15])[C:6]([H:16])([H:17])[O:7]2)([H:8])([H:9])[H:10],[C:1]([C:2]1([O+:7]=[C-:6][H:16])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C:5]1([H:15])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-6-3-2-5(6)4-7-6/h5H,2-4H2,1H3/t5-,6-/m0/s1","InChI=1S/C6H10O/c1-6(7-2)4-3-5-6/h2H,3-5H2,1H3",77.61936,45.471070000000005,
9325,[C:1]([C@:2]12[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C@@:5]1([H:15])[C:6]([H:16])([H:17])[O:7]2)([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:5]([C:6]([O:7][H:15])([H:16])[H:17])[C:4]([H:13])([H:14])[C:3]1([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-6-3-2-5(6)4-7-6/h5H,2-4H2,1H3/t5-,6-/m0/s1","InChI=1S/C6H10O/c1-5-2-3-6(5)4-7/h7H,2-4H2,1H3",105.34243000000001,-9.74203,
9326,[C:1]([C@:2]12[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C@@:5]1([H:15])[C:6]([H:16])([H:17])[O:7]2)([H:8])([H:9])[H:10],[C:1]([C@:2]1([O:7][H:17])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C@:5]1([C:6][H:16])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-6-3-2-5(6)4-7-6/h5H,2-4H2,1H3/t5-,6-/m0/s1","InChI=1S/C6H10O/c1-5-3-4-6(5,2)7/h1,5,7H,3-4H2,2H3/t5-,6+/m1/s1",68.18391,66.82218,
9327,[C:1]([C@:2]12[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C@@:5]1([H:15])[C:6]([H:16])([H:17])[O:7]2)([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:11].[C:2]12=[C:3]([H:12])[C:4]([H:13])([H:14])[C@@:5]1([H:15])[C:6]([H:16])([H:17])[O:7]2,"InChI=1S/C6H10O/c1-6-3-2-5(6)4-7-6/h5H,2-4H2,1H3/t5-,6-/m0/s1","InChI=1S/C5H6O.CH4/c1-2-5-4(1)3-6-5;/h2,4H,1,3H2;1H4/t4-;/m0./s1",113.3958,51.47935,
9328,[C:1]([C@:2]12[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C@@:5]1([H:15])[C:6]([H:16])([H:17])[O:7]2)([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]([H:11])[H:12])[O:7][C:6]([C:5](=[C:4]([H:13])[H:14])[H:15])([H:16])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-6-3-2-5(6)4-7-6/h5H,2-4H2,1H3/t5-,6-/m0/s1","InChI=1S/C6H10O/c1-4-5-7-6(2)3/h4H,1-2,5H2,3H3",80.76635,-10.00118,
9329,[C:1]([C@:2]12[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C@@:5]1([H:15])[C:6]([H:16])([H:17])[O:7]2)([H:8])([H:9])[H:10],[C:1]([C@:2]1([C:3]([C:4][H:14])([H:11])[H:12])[C:5]([H:13])([H:15])[C:6]([H:16])([H:17])[O:7]1)([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-6-3-2-5(6)4-7-6/h5H,2-4H2,1H3/t5-,6-/m0/s1","InChI=1S/C6H10O/c1-3-6(2)4-5-7-6/h1H,3-5H2,2H3/t6-/m0/s1",78.09174,79.0853,
9330,[C:1]([C@:2]12[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C@@:5]1([H:15])[C:6]([H:16])([H:17])[O:7]2)([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]([H:11])[H:12])[C:5](=[C:4]([H:13])[H:14])[H:15])([H:8])([H:9])[H:10].[C:6](=[O:7])([H:16])[H:17],"InChI=1S/C6H10O/c1-6-3-2-5(6)4-7-6/h5H,2-4H2,1H3/t5-,6-/m0/s1","InChI=1S/C5H8.CH2O/c1-4-5(2)3;1-2/h4H,1-2H2,3H3;1H2",68.38141,1.8418,
9331,[C:1]([C@:2]12[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C@@:5]1([H:15])[C:6]([H:16])([H:17])[O:7]2)([H:8])([H:9])[H:10],[C:1]([C:2]1([C:3]([H:11])([H:12])[H:14])[C@:5]([C:4][H:13])([H:15])[C:6]([H:16])([H:17])[O:7]1)([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-6-3-2-5(6)4-7-6/h5H,2-4H2,1H3/t5-,6-/m0/s1","InChI=1S/C6H10O/c1-5-4-7-6(5,2)3/h1,5H,4H2,2-3H3/t5-/m0/s1",75.72821,75.59183,
9332,[C:1]([C@:2]12[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C@@:5]1([H:15])[C:6]([H:16])([H:17])[O:7]2)([H:8])([H:9])[H:10],[C:1]([C@:2]12[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C@@:5]1([H:15])[C-:6]=[O+:7]2)([H:8])([H:9])[H:10].[H:16][H:17],"InChI=1S/C6H10O/c1-6-3-2-5(6)4-7-6/h5H,2-4H2,1H3/t5-,6-/m0/s1","InChI=1S/C6H8O.H2/c1-6-3-2-5(6)4-7-6;/h5H,2-3H2,1H3;1H/t5-,6-;/m0./s1",76.46682,68.8425,
9333,[C:1]([C@:2]12[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C@@:5]1([H:15])[C:6]([H:16])([H:17])[O:7]2)([H:8])([H:9])[H:10],[C:1]([C:2][C@@:5]1([H:15])[C:4]([H:13])([H:14])[C:3]([H:11])([H:12])[O:7][C:6]1([H:16])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-6-3-2-5(6)4-7-6/h5H,2-4H2,1H3/t5-,6-/m0/s1","InChI=1S/C6H10O/c1-2-6-3-4-7-5-6/h6H,3-5H2,1H3/t6-/m0/s1",95.97944,55.22919,
9334,[C:1]([C@:2]12[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C@@:5]1([H:15])[C:6]([H:16])([H:17])[O:7]2)([H:8])([H:9])[H:10],[C:1]([C:3]([C@:2]12[C:4]([H:13])([H:14])[C@@:5]1([H:15])[C:6]([H:16])([H:17])[O:7]2)([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-6-3-2-5(6)4-7-6/h5H,2-4H2,1H3/t5-,6-/m0/s1","InChI=1S/C6H10O/c1-2-6-3-5(6)4-7-6/h5H,2-4H2,1H3/t5-,6-/m0/s1",98.40538000000001,7.17595,
9335,[C:1]([C@:2]12[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C@@:5]1([H:15])[C:6]([H:16])([H:17])[O:7]2)([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:15].[C:2]12=[C:5]([C:4]([H:13])([H:14])[C:3]1([H:11])[H:12])[C:6]([H:16])([H:17])[O:7]2,"InChI=1S/C6H10O/c1-6-3-2-5(6)4-7-6/h5H,2-4H2,1H3/t5-,6-/m0/s1",InChI=1S/C5H6O.CH4/c1-2-5-4(1)3-6-5;/h1-3H2;1H4,120.91224,58.98649,
9336,[C:1]([C@:2]12[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C@@:5]1([H:15])[C:6]([H:16])([H:17])[O:7]2)([H:8])([H:9])[H:10],[C:1]([C:3]([C:4]([C@:5]1([H:15])[C-:2]=[O+:7][C:6]1([H:16])[H:17])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-6-3-2-5(6)4-7-6/h5H,2-4H2,1H3/t5-,6-/m0/s1","InChI=1S/C6H10O/c1-2-3-6-4-7-5-6/h6H,2-4H2,1H3/t6-/m0/s1",104.15727,40.87668,
9337,[C:1]([C@:2]12[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C@@:5]1([H:15])[C:6]([H:16])([H:17])[O:7]2)([H:8])([H:9])[H:10],[C:1]([C:2][C:3]([C:4]([C@@:5]1([H:15])[C:6]([H:16])([H:17])[O:7]1)([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-6-3-2-5(6)4-7-6/h5H,2-4H2,1H3/t5-,6-/m0/s1","InChI=1S/C6H10O/c1-2-3-4-6-5-7-6/h6H,3-5H2,1H3/t6-/m0/s1",91.50244,72.74395,
9338,[C:1]([C@@:2]([O:3][H:12])([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[O:7]1)[H:11])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:11].[C:2]([O:3][H:12])[C@@:4]1([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[O:7]1,"InChI=1S/C5H10O2/c1-4(6)5-2-3-7-5/h4-6H,2-3H2,1H3/t4-,5-/m1/s1","InChI=1S/C4H6O2.CH4/c5-3-4-1-2-6-4;/h4-5H,1-2H2;1H4/t4-;/m1./s1",69.31414000000001,59.17196,
9339,[C:1]([C@@:2]([O:3][H:12])([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[O:7]1)[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]([O:3][H:12])([C@@:4]([C:5]([H:14])([H:15])[H:16])([O+:7]=[C-:6][H:17])[H:13])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-4(6)5-2-3-7-5/h4-6H,2-3H2,1H3/t4-,5-/m1/s1","InChI=1S/C5H10O2/c1-4(6)5(2)7-3/h3-6H,1-2H3/t4-,5-/m1/s1",78.34631999999999,46.660340000000005,
9340,[C:1]([C@@:2]([O:3][H:12])([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[O:7]1)[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]([O:3][H:12])([C:4](=[C:5]([H:14])[H:15])[H:13])[H:11])([H:8])([H:9])[H:10].[C:6](=[O:7])([H:16])[H:17],"InChI=1S/C5H10O2/c1-4(6)5-2-3-7-5/h4-6H,2-3H2,1H3/t4-,5-/m1/s1","InChI=1S/C4H8O.CH2O/c1-3-4(2)5;1-2/h3-5H,1H2,2H3;1H2/t4-;/m1./s1",45.76148,10.87398,2+2_cycloaddition
9341,[C:1]([C@@:2]([O:3][H:12])([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[O:7]1)[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]([O:3][H:12])([C:4](=[O:7])[H:13])[H:11])([H:8])([H:9])[H:10].[C:5](=[C:6]([H:16])[H:17])([H:14])[H:15],"InChI=1S/C5H10O2/c1-4(6)5-2-3-7-5/h4-6H,2-3H2,1H3/t4-,5-/m1/s1","InChI=1S/C3H6O2.C2H4/c1-3(5)2-4;1-2/h2-3,5H,1H3;1-2H2/t3-;/m1./s1",52.4047,3.61691,2+2_cycloaddition
9342,[C:1]([C@@:2]([O:3][H:12])([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[O:7]1)[H:11])([H:8])([H:9])[H:10],[C:1]1([H:8])([H:10])[C@:2]([O:3][H:12])([H:11])[C@:4]([C:5]([C:6]([H:9])([H:16])[H:17])([H:14])[H:15])([H:13])[O:7]1,"InChI=1S/C5H10O2/c1-4(6)5-2-3-7-5/h4-6H,2-3H2,1H3/t4-,5-/m1/s1","InChI=1S/C5H10O2/c1-2-5-4(6)3-7-5/h4-6H,2-3H2,1H3/t4-,5-/m1/s1",73.92286999999999,2.33337,
9343,[C:1]([C@@:2]([O:3][H:12])([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[O:7]1)[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]([O:3][H:12])([C:4]([O:7][C:6]([C:5][H:14])([H:16])[H:17])([H:13])[H:15])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-4(6)5-2-3-7-5/h4-6H,2-3H2,1H3/t4-,5-/m1/s1","InChI=1S/C5H10O2/c1-3-7-4-5(2)6/h1,5-6H,3-4H2,2H3/t5-/m1/s1",85.48288000000001,83.84454000000001,
9344,[C:1]([C@@:2]([O:3][H:12])([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[O:7]1)[H:11])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:12].[C:2](=[O:3])([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[O:7]1)[H:11],"InChI=1S/C5H10O2/c1-4(6)5-2-3-7-5/h4-6H,2-3H2,1H3/t4-,5-/m1/s1","InChI=1S/C4H6O2.CH4/c5-3-4-1-2-6-4;/h3-4H,1-2H2;1H4/t4-;/m1./s1",79.68094,14.88625,
9345,[C:1]([C@@:2]([O:3][H:12])([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[O:7]1)[H:11])([H:8])([H:9])[H:10],[C:1]([C@:2]1([H:11])[C@@:4]2([H:13])[C@:5]1([H:14])[C:6]([H:16])([H:17])[O:7]2)([H:8])([H:9])[H:10].[O:3]([H:12])[H:15],"InChI=1S/C5H10O2/c1-4(6)5-2-3-7-5/h4-6H,2-3H2,1H3/t4-,5-/m1/s1","InChI=1S/C5H8O.H2O/c1-3-4-2-6-5(3)4;/h3-5H,2H2,1H3;1H2/t3-,4+,5-;/m0./s1",84.49752,29.882740000000002,
9346,[C:1]([C@@:2]([O:3][H:12])([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[O:7]1)[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]([O:3][H:12])([C@@:4]([C:5](=[C:6]([H:16])[H:17])[H:14])([O:7][H:15])[H:13])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-4(6)5-2-3-7-5/h4-6H,2-3H2,1H3/t4-,5-/m1/s1","InChI=1S/C5H10O2/c1-3-5(7)4(2)6/h3-7H,1H2,2H3/t4-,5-/m1/s1",81.17958,-9.89989,
9347,[C:1]([C@@:2]([O:3][H:12])([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[O:7]1)[H:11])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:13].[C:2](\[O:3][H:12])(=[C:4]1/[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[O:7]1)[H:11],"InChI=1S/C5H10O2/c1-4(6)5-2-3-7-5/h4-6H,2-3H2,1H3/t4-,5-/m1/s1","InChI=1S/C4H6O2.CH4/c5-3-4-1-2-6-4;/h3,5H,1-2H2;1H4/b4-3-;",103.92211,15.511470000000001,
9348,[C:1]([C@@:2]([O:3][H:12])([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[O:7]1)[H:11])([H:8])([H:9])[H:10],[C:1]([C:2](=[O:3])[C:4]([C:5]([C:6]([O:7][H:12])([H:16])[H:17])([H:14])[H:15])([H:11])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-4(6)5-2-3-7-5/h4-6H,2-3H2,1H3/t4-,5-/m1/s1","InChI=1S/C5H10O2/c1-5(7)3-2-4-6/h6H,2-4H2,1H3",43.10841,-24.651410000000002,
9349,[C:1]([C@@:2]([O:3][H:12])([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[O:7]1)[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]([O:3][H:12])([O:7][C:6]([C:5]([C:4][H:13])([H:14])[H:15])([H:16])[H:17])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-4(6)5-2-3-7-5/h4-6H,2-3H2,1H3/t4-,5-/m1/s1","InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h1,5-6H,3-4H2,2H3/t5-/m0/s1",99.50234,79.79347,
9350,[C:1]([C@@:2]([O:3][H:12])([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[O:7]1)[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[O:3][C@@:4]1([C:5]([C:6]([O:7][H:12])([H:16])[H:17])([H:14])[H:15])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-4(6)5-2-3-7-5/h4-6H,2-3H2,1H3/t4-,5-/m1/s1","InChI=1S/C5H10O2/c1-4-5(7-4)2-3-6/h4-6H,2-3H2,1H3/t4-,5-/m1/s1",46.214620000000004,3.31319,
9351,[C:1]([C@@:2]([O:3][H:12])([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[O:7]1)[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C@:4]2([H:13])[C:5]([H:14])([H:15])[C@@:6]1([H:17])[O:7]2)([H:8])([H:9])[H:10].[O:3]([H:12])[H:16],"InChI=1S/C5H10O2/c1-4(6)5-2-3-7-5/h4-6H,2-3H2,1H3/t4-,5-/m1/s1","InChI=1S/C5H8O.H2O/c1-3-4-2-5(3)6-4;/h3-5H,2H2,1H3;1H2/t3-,4-,5+;",86.87297,43.962109999999996,
9352,[C:1]([C@@:2]([O:3][H:12])([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[O:7]1)[H:11])([H:8])([H:9])[H:10],[C+:1]([C@@:2]([O:3][H:12])([C@@:4]([C:5]([C-:6]([H:16])[H:17])([H:14])[H:15])([O:7][H:9])[H:13])[H:11])([H:8])[H:10],"InChI=1S/C5H10O2/c1-4(6)5-2-3-7-5/h4-6H,2-3H2,1H3/t4-,5-/m1/s1","InChI=1S/C5H10O2/c1-3-5(7)4(2)6/h4-7H,1-3H2/t4-,5-/m1/s1",73.95253000000001,72.79867,
9353,[C:1]([C@@:2]([O:3][H:12])([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[O:7]1)[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]([O:3][H:12])([C:5]([C:6]([O+:7]=[C-:4][H:13])([H:16])[H:17])([H:14])[H:15])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-4(6)5-2-3-7-5/h4-6H,2-3H2,1H3/t4-,5-/m1/s1","InChI=1S/C5H10O2/c1-5(6)3-4-7-2/h2,5-6H,3-4H2,1H3/t5-/m1/s1",111.98692,52.16271,
9354,[C:1]([C@@:2]([O:3][H:12])([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[O:7]1)[H:11])([H:8])([H:9])[H:10],[C:1]([C:2](=[O:3])[H:11])([H:8])([H:9])[H:10].[C:4]1([H:13])=[C:5]([H:14])[C:6]([H:16])([H:17])[O:7]1.[H:12][H:15],"InChI=1S/C5H10O2/c1-4(6)5-2-3-7-5/h4-6H,2-3H2,1H3/t4-,5-/m1/s1","InChI=1S/C3H4O.C2H4O.H2/c1-2-4-3-1;1-2-3;/h1-2H,3H2;2H,1H3;1H",71.31348,50.28918,
9355,[C:1]([C@@:2]([O:3][H:12])([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[O:7]1)[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]([O:3][H:12])([C:4][C:5]([C:6]([O:7][H:13])([H:16])[H:17])([H:14])[H:15])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-4(6)5-2-3-7-5/h4-6H,2-3H2,1H3/t4-,5-/m1/s1","InChI=1S/C5H10O2/c1-5(7)3-2-4-6/h5-7H,2,4H2,1H3/t5-/m1/s1",68.10691,64.45352,
9356,[C:1]([C@@:2]([O:3][H:12])([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[O:7]1)[H:11])([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:4]1\[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[O:7]1)[H:11])([H:8])([H:9])[H:10].[O:3]([H:12])[H:13],"InChI=1S/C5H10O2/c1-4(6)5-2-3-7-5/h4-6H,2-3H2,1H3/t4-,5-/m1/s1","InChI=1S/C5H8O.H2O/c1-2-5-3-4-6-5;/h2H,3-4H2,1H3;1H2/b5-2+;",66.67172,9.811010000000001,"1,3_Insertion_ROR"
9357,[C:1]([C@@:2]([O:3][H:12])([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[O:7]1)[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]([O:3][H:12])([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C-:6]=[O+:7]1)[H:11])([H:8])([H:9])[H:10].[H:16][H:17],"InChI=1S/C5H10O2/c1-4(6)5-2-3-7-5/h4-6H,2-3H2,1H3/t4-,5-/m1/s1","InChI=1S/C5H8O2.H2/c1-4(6)5-2-3-7-5;/h4-6H,2H2,1H3;1H/t4-,5-;/m1./s1",77.39229,70.36468,
9358,[C:1]([C@@:2]([O:3][H:12])([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[O:7]1)[H:11])([H:8])([H:9])[H:10],[C:1](/[C:2]([O:3][H:12])=[C:4](/[C:5]([H:11])([H:14])[H:15])[H:13])([H:8])([H:9])[H:10].[C:6](=[O:7])([H:16])[H:17],"InChI=1S/C5H10O2/c1-4(6)5-2-3-7-5/h4-6H,2-3H2,1H3/t4-,5-/m1/s1","InChI=1S/C4H8O.CH2O/c1-3-4(2)5;1-2/h3,5H,1-2H3;1H2/b4-3-;",92.02698000000001,1.3361399999999999,
9359,[C:1]([C@@:2]([O:3][H:12])([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[O:7]1)[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([O:3][H:12])[C@@:4]2([H:13])[C@:5]1([H:15])[C:6]([H:16])([H:17])[O:7]2)([H:8])([H:9])[H:10].[H:11][H:14],"InChI=1S/C5H10O2/c1-4(6)5-2-3-7-5/h4-6H,2-3H2,1H3/t4-,5-/m1/s1","InChI=1S/C5H8O2.H2/c1-5(6)3-2-7-4(3)5;/h3-4,6H,2H2,1H3;1H/t3-,4+,5-;/m0./s1",95.94514000000001,43.41332,
9360,[C:1]([C@@:2]([O:3][H:12])([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[O:7]1)[H:11])([H:8])([H:9])[H:10],[C:1]([C:2](=[O:3])[C@@:4]1([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[O:7]1)([H:8])([H:9])[H:10].[H:11][H:12],"InChI=1S/C5H10O2/c1-4(6)5-2-3-7-5/h4-6H,2-3H2,1H3/t4-,5-/m1/s1","InChI=1S/C5H8O2.H2/c1-4(6)5-2-3-7-5;/h5H,2-3H2,1H3;1H/t5-;/m1./s1",79.39805,18.75978,
9361,[C:1]([C@@:2]([O:3][H:12])([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[O:7]1)[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([C@:4]1([O:3][H:12])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[O:7]1)([H:11])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-4(6)5-2-3-7-5/h4-6H,2-3H2,1H3/t4-,5-/m1/s1","InChI=1S/C5H10O2/c1-2-5(6)3-4-7-5/h6H,2-4H2,1H3/t5-/m1/s1",85.20478,-7.1463399999999995,
9362,[C:1]([C@@:2]([O:3][H:12])([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[O:7]1)[H:11])([H:8])([H:9])[H:10],[C:1]([O:7]/[C:4](=[C:2](\[O:3][H:12])[H:11])[H:13])([H:8])([H:9])[H:10].[C:5](=[C:6]([H:16])[H:17])([H:14])[H:15],"InChI=1S/C5H10O2/c1-4(6)5-2-3-7-5/h4-6H,2-3H2,1H3/t4-,5-/m1/s1","InChI=1S/C3H6O2.C2H4/c1-5-3-2-4;1-2/h2-4H,1H3;1-2H2/b3-2-;",91.60616999999999,22.47533,
9363,[O:1]=[C:2]1[N:3]([H:8])[C:4]([H:9])([H:10])[C@@:5]2([H:11])[O:6][C@@:7]12[H:12],[O:1]([C:2]1=[N:3][C:4]([H:9])([H:10])[C@@:5]2([H:11])[O:6][C@@:7]12[H:12])[H:8],"InChI=1S/C4H5NO2/c6-4-3-2(7-3)1-5-4/h2-3H,1H2,(H,5,6)/t2-,3-/m1/s1","InChI=1S/C4H5NO2/c6-4-3-2(7-3)1-5-4/h2-3H,1H2,(H,5,6)/t2-,3-/m1/s1",47.33643,10.30595,ketoenol
9364,[O:1]=[C:2]1[N:3]([H:8])[C:4]([H:9])([H:10])[C@@:5]2([H:11])[O:6][C@@:7]12[H:12],[O:1]=[C:2]([C@@:7]1([H:12])[C@:5](/[C:4](=[N:3]/[H:8])[H:10])([H:11])[O:6]1)[H:9],"InChI=1S/C4H5NO2/c6-4-3-2(7-3)1-5-4/h2-3H,1H2,(H,5,6)/t2-,3-/m1/s1","InChI=1S/C4H5NO2/c5-1-3-4(2-6)7-3/h1-5H/b5-1+/t3-,4+/m1/s1",90.8705,27.283720000000002,
9365,[O:1]=[C:2]1[N:3]([H:8])[C:4]([H:9])([H:10])[C@@:5]2([H:11])[O:6][C@@:7]12[H:12],[O:1]([C-:2]1[N:3]([H:8])[C:4]([H:9])([H:10])[C:5]2=[O+:6][C@@:7]12[H:12])[H:11],"InChI=1S/C4H5NO2/c6-4-3-2(7-3)1-5-4/h2-3H,1H2,(H,5,6)/t2-,3-/m1/s1","InChI=1S/C4H5NO2/c6-4-3-2(7-3)1-5-4/h3,5-6H,1H2/t3-/m1/s1",130.8284,66.0804,
9366,[O:1]=[C:2]1[N:3]([H:8])[C:4]([H:9])([H:10])[C@@:5]2([H:11])[O:6][C@@:7]12[H:12],[H:8][H:9].[O:1]=[C:2]1[N:3]=[C:4]([H:10])[C@@:5]2([H:11])[O:6][C@@:7]12[H:12],"InChI=1S/C4H5NO2/c6-4-3-2(7-3)1-5-4/h2-3H,1H2,(H,5,6)/t2-,3-/m1/s1","InChI=1S/C4H3NO2.H2/c6-4-3-2(7-3)1-5-4;/h1-3H;1H/t2-,3-;/m1./s1",100.5546,41.00091,
9367,[O:1]=[C:2]1[N:3]([H:8])[C:4]([H:9])([H:10])[C@@:5]2([H:11])[O:6][C@@:7]12[H:12],[O-:1][C-:2]1[N+:3]([H:8])([H:11])[C:4]([H:9])([H:10])[C:5]2=[O+:6][C@@:7]12[H:12],"InChI=1S/C4H5NO2/c6-4-3-2(7-3)1-5-4/h2-3H,1H2,(H,5,6)/t2-,3-/m1/s1","InChI=1S/C4H5NO2/c6-4-3-2(7-3)1-5-4/h3H,1,5H2/t3-/m1/s1",109.60489,69.86458,
9368,[O:1]=[C:2]1[N:3]([H:8])[C:4]([H:9])([H:10])[C@@:5]2([H:11])[O:6][C@@:7]12[H:12],[O:1]=[C:2]1[N:3]([H:8])[C:4]([H:9])([H:10])[O:6][C@@:7]1([C:5][H:11])[H:12],"InChI=1S/C4H5NO2/c6-4-3-2(7-3)1-5-4/h2-3H,1H2,(H,5,6)/t2-,3-/m1/s1","InChI=1S/C4H5NO2/c1-3-4(6)5-2-7-3/h1,3H,2H2,(H,5,6)/t3-/m1/s1",97.06708,79.46015,
9369,[O:1]=[C:2]1[N:3]([H:8])[C:4]([H:9])([H:10])[C@@:5]2([H:11])[O:6][C@@:7]12[H:12],[O:1]=[C:2]=[C:7]1[C@:5]([C:4]([N:3]([H:8])[H:12])([H:9])[H:10])([H:11])[O:6]1,"InChI=1S/C4H5NO2/c6-4-3-2(7-3)1-5-4/h2-3H,1H2,(H,5,6)/t2-,3-/m1/s1","InChI=1S/C4H5NO2/c5-1-3-4(2-6)7-3/h3H,1,5H2/t3-/m1/s1",108.7016,47.72235,
9370,[O:1]=[C:2]1[N:3]([H:8])[C:4]([H:9])([H:10])[C@@:5]2([H:11])[O:6][C@@:7]12[H:12],[O-:1][C:2]1=[C+:7][C@@:5]([O:6][H:12])([H:11])[C:4]([H:9])([H:10])[N:3]1[H:8],"InChI=1S/C4H5NO2/c6-4-3-2(7-3)1-5-4/h2-3H,1H2,(H,5,6)/t2-,3-/m1/s1","InChI=1S/C4H5NO2/c6-3-1-4(7)5-2-3/h3,5-6H,2H2/t3-/m0/s1",67.47551999999999,62.86266,
9371,[O:1]=[C:2]1[N:3]([H:8])[C:4]([H:9])([H:10])[C@@:5]2([H:11])[O:6][C@@:7]12[H:12],[O:1]=[C:2]1[N:3]([H:8])[C:4]([H:9])([H:10])[C-:5]=[O+:6][C:7]1([H:11])[H:12],"InChI=1S/C4H5NO2/c6-4-3-2(7-3)1-5-4/h2-3H,1H2,(H,5,6)/t2-,3-/m1/s1","InChI=1S/C4H5NO2/c6-4-3-7-2-1-5-4/h1,3H2,(H,5,6)",68.883,37.155440000000006,
9372,[O:1]=[C:2]1[N:3]([H:8])[C:4]([H:9])([H:10])[C@@:5]2([H:11])[O:6][C@@:7]12[H:12],[O-:1][C:2]1=[C:7]=[O+:6][C:5]([H:11])([H:12])[C:4]([H:9])([H:10])[N:3]1[H:8],"InChI=1S/C4H5NO2/c6-4-3-2(7-3)1-5-4/h2-3H,1H2,(H,5,6)/t2-,3-/m1/s1","InChI=1S/C4H5NO2/c6-4-3-7-2-1-5-4/h5H,1-2H2",73.57026,41.21894,
9373,[O:1]=[C:2]1[N:3]([H:8])[C:4]([H:9])([H:10])[C@@:5]2([H:11])[O:6][C@@:7]12[H:12],[O:1]=[C:2]=[N:3][C:4]([C@@:5]1([H:11])[O:6][C:7]1([H:8])[H:12])([H:9])[H:10],"InChI=1S/C4H5NO2/c6-4-3-2(7-3)1-5-4/h2-3H,1H2,(H,5,6)/t2-,3-/m1/s1","InChI=1S/C4H5NO2/c6-3-5-1-4-2-7-4/h4H,1-2H2/t4-/m1/s1",89.78836,4.26657,
9374,[O:1]=[C:2]1[N:3]([H:8])[C:4]([H:9])([H:10])[C@@:5]2([H:11])[O:6][C@@:7]12[H:12],[H:9][H:10].[O:1]=[C:2]1[N+:3]([H:8])=[C-:4][C@@:5]2([H:11])[O:6][C@@:7]12[H:12],"InChI=1S/C4H5NO2/c6-4-3-2(7-3)1-5-4/h2-3H,1H2,(H,5,6)/t2-,3-/m1/s1","InChI=1S/C4H3NO2.H2/c6-4-3-2(7-3)1-5-4;/h2-3,5H;1H/t2-,3-;/m1./s1",76.63205,72.82041,
9375,[O:1]=[C:2]1[N:3]([H:8])[C:4]([H:9])([H:10])[C@@:5]2([H:11])[O:6][C@@:7]12[H:12],[N:3]1([H:8])[C:4]([H:9])([H:10])[C@:5]1([C:7](=[O:6])[H:12])[H:11].[O+:1]#[C-:2],"InChI=1S/C4H5NO2/c6-4-3-2(7-3)1-5-4/h2-3H,1H2,(H,5,6)/t2-,3-/m1/s1","InChI=1S/C3H5NO.CO/c5-2-3-1-4-3;1-2/h2-4H,1H2;/t3-;/m0./s1",72.55184,21.92734,
9376,[O:1]=[C:2]1[N:3]([H:8])[C:4]([H:9])([H:10])[C@@:5]2([H:11])[O:6][C@@:7]12[H:12],[O:1]([C:2]1=[C:7]2[C@@:5]([H:11])([C:4]([H:9])([H:10])[N:3]1[H:8])[O:6]2)[H:12],"InChI=1S/C4H5NO2/c6-4-3-2(7-3)1-5-4/h2-3H,1H2,(H,5,6)/t2-,3-/m1/s1","InChI=1S/C4H5NO2/c6-4-3-2(7-3)1-5-4/h2,5-6H,1H2/t2-/m1/s1",71.87937,56.7099,ketoenol
9377,[O:1]=[C:2]1[N:3]([H:8])[C:4]([H:9])([H:10])[C@@:5]2([H:11])[O:6][C@@:7]12[H:12],[O:1]=[C:2]1[N:3]([H:8])[C:4]([H:10])=[C:5]([H:11])[C@:7]1([O:6][H:9])[H:12],"InChI=1S/C4H5NO2/c6-4-3-2(7-3)1-5-4/h2-3H,1H2,(H,5,6)/t2-,3-/m1/s1","InChI=1S/C4H5NO2/c6-3-1-2-5-4(3)7/h1-3,6H,(H,5,7)/t3-/m1/s1",61.121190000000006,-13.85467,
9378,[O:1]=[C:2]1[N:3]([H:8])[C:4]([H:9])([H:10])[C@@:5]2([H:11])[O:6][C@@:7]12[H:12],[O:1]1/[C:2](=[N:3]\[H:8])[C@@:7]1([C@@:5]1([H:11])[C:4]([H:9])([H:10])[O:6]1)[H:12],"InChI=1S/C4H5NO2/c6-4-3-2(7-3)1-5-4/h2-3H,1H2,(H,5,6)/t2-,3-/m1/s1","InChI=1S/C4H5NO2/c5-4-3(7-4)2-1-6-2/h2-3,5H,1H2/b5-4-/t2-,3+/m1/s1",88.90773,43.98751,
9379,[O:1]=[C:2]1[N:3]([H:8])[C:4]([H:9])([H:10])[C@@:5]2([H:11])[O:6][C@@:7]12[H:12],[O:1]1/[C:2](=[N:3]\[H:8])[C@:7]1([O:6][C:5](=[C:4]([H:9])[H:10])[H:11])[H:12],"InChI=1S/C4H5NO2/c6-4-3-2(7-3)1-5-4/h2-3H,1H2,(H,5,6)/t2-,3-/m1/s1","InChI=1S/C4H5NO2/c1-2-6-4-3(5)7-4/h2,4-5H,1H2/b5-3-/t4-/m0/s1",69.5643,34.37531,
9380,[O:1]=[C:2]1[N:3]([H:8])[C:4]([H:9])([H:10])[C@@:5]2([H:11])[O:6][C@@:7]12[H:12],[O-:1][C:7](=[C+:2][N:3]([C:4]([C:5](=[O:6])[H:11])([H:9])[H:10])[H:8])[H:12],"InChI=1S/C4H5NO2/c6-4-3-2(7-3)1-5-4/h2-3H,1H2,(H,5,6)/t2-,3-/m1/s1","InChI=1S/C4H5NO2/c6-3-1-5-2-4-7/h3-5H,1H2",83.15119,42.20063,
9381,[O:1]=[C:2]1[N:3]([H:8])[C:4]([H:9])([H:10])[C@@:5]2([H:11])[O:6][C@@:7]12[H:12],[H:10][H:11].[O:1]=[C:2]1[N:3]([H:8])[C:4]([H:9])=[C:5]2[O:6][C@@:7]12[H:12],"InChI=1S/C4H5NO2/c6-4-3-2(7-3)1-5-4/h2-3H,1H2,(H,5,6)/t2-,3-/m1/s1","InChI=1S/C4H3NO2.H2/c6-4-3-2(7-3)1-5-4;/h1,3H,(H,5,6);1H/t3-;/m1./s1",100.43091,75.90066999999999,
9382,[O:1]=[C:2]1[N:3]([H:8])[C:4]([H:9])([H:10])[C@@:5]2([H:11])[O:6][C@@:7]12[H:12],[O:1]=[C:2]1[N:3]([H:8])[C:4]([H:9])([H:10])[C:5][C@:7]1([O:6][H:11])[H:12],"InChI=1S/C4H5NO2/c6-4-3-2(7-3)1-5-4/h2-3H,1H2,(H,5,6)/t2-,3-/m1/s1","InChI=1S/C4H5NO2/c6-3-1-2-5-4(3)7/h3,6H,2H2,(H,5,7)/t3-/m1/s1",63.641659999999995,61.4541,
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9386,[O:1]=[C:2]1[N:3]([H:8])[C:4]([H:9])([H:10])[C@@:5]2([H:11])[O:6][C@@:7]12[H:12],[O:1]=[C:2]([N+:3](=[C-:4][H:9])[H:8])[C@@:7]1([H:12])[C:5]([H:10])([H:11])[O:6]1,"InChI=1S/C4H5NO2/c6-4-3-2(7-3)1-5-4/h2-3H,1H2,(H,5,6)/t2-,3-/m1/s1","InChI=1S/C4H5NO2/c1-5-4(6)3-2-7-3/h1,3,5H,2H2/t3-/m1/s1",87.70260999999999,65.47100999999999,
9387,[O:1]=[C:2]1[N:3]([H:8])[C:4]([H:9])([H:10])[C@@:5]2([H:11])[O:6][C@@:7]12[H:12],[O:1][C:2](=[N:3])[C@@:7]1([H:12])[C@:5]([C:4]([H:8])([H:9])[H:10])([H:11])[O:6]1,"InChI=1S/C4H5NO2/c6-4-3-2(7-3)1-5-4/h2-3H,1H2,(H,5,6)/t2-,3-/m1/s1","InChI=1S/C4H5NO2/c1-2-3(7-2)4(5)6/h2-3H,1H3/t2-,3-/m1/s1",77.09604,73.53304,
9388,[O:1]=[C:2]1[N:3]([H:8])[C:4]([H:9])([H:10])[C@@:5]2([H:11])[O:6][C@@:7]12[H:12],[H:8][H:12].[O:1]=[C:2]=[N:3][C:4]([C@@:5]1([H:11])[O+:6]=[C-:7]1)([H:9])[H:10],"InChI=1S/C4H5NO2/c6-4-3-2(7-3)1-5-4/h2-3H,1H2,(H,5,6)/t2-,3-/m1/s1","InChI=1S/C4H3NO2.H2/c6-3-5-1-4-2-7-4;/h4H,1H2;1H/t4-;/m1./s1",124.75521,71.68186999999999,
9389,[O:1]=[C:2]1[N:3]([H:8])[C:4]([H:9])([H:10])[C@@:5]2([H:11])[O:6][C@@:7]12[H:12],[O:1]=[C:2]=[C:7]([O:6][C@@:5]1([H:11])[N:3]([H:8])[C:4]1([H:9])[H:10])[H:12],"InChI=1S/C4H5NO2/c6-4-3-2(7-3)1-5-4/h2-3H,1H2,(H,5,6)/t2-,3-/m1/s1","InChI=1S/C4H5NO2/c6-1-2-7-4-3-5-4/h2,4-5H,3H2/t4-/m1/s1",67.16232,44.74133,
9390,[O:1]=[C:2]1[N:3]([H:8])[C:4]([H:9])([H:10])[C@@:5]2([H:11])[O:6][C@@:7]12[H:12],[O:1]=[C:2]([N+:3](=[C:4]([H:9])[H:10])[H:8])[C:7](=[C:5]([O-:6])[H:11])[H:12],"InChI=1S/C4H5NO2/c6-4-3-2(7-3)1-5-4/h2-3H,1H2,(H,5,6)/t2-,3-/m1/s1","InChI=1S/C4H5NO2/c1-5-4(7)2-3-6/h2-3,6H,1H2",45.395309999999995,17.391939999999998,
9391,[O:1]=[C:2]1[N:3]([H:8])[C:4]([H:9])([H:10])[C@@:5]2([H:11])[O:6][C@@:7]12[H:12],[H:8][H:11].[O-:1][C:2]1=[N:3][C:4]([H:9])([H:10])[C:5]2=[O+:6][C@@:7]12[H:12],"InChI=1S/C4H5NO2/c6-4-3-2(7-3)1-5-4/h2-3H,1H2,(H,5,6)/t2-,3-/m1/s1","InChI=1S/C4H3NO2.H2/c6-4-3-2(7-3)1-5-4;/h3H,1H2;1H/t3-;/m1./s1",114.96101000000002,93.21421,
9392,[O:1]=[C:2]1[N:3]([H:8])[C:4]([H:9])([H:10])[C@@:5]2([H:11])[O:6][C@@:7]12[H:12],[O:1]=[C:2]([N:3]([C:4]([C@@:5]1([H:11])[O+:6]=[C-:7]1)([H:9])[H:10])[H:8])[H:12],"InChI=1S/C4H5NO2/c6-4-3-2(7-3)1-5-4/h2-3H,1H2,(H,5,6)/t2-,3-/m1/s1","InChI=1S/C4H5NO2/c6-3-5-1-4-2-7-4/h3-4H,1H2,(H,5,6)/t4-/m1/s1",66.90916999999999,55.62934,
9393,[C:1]([C@@:2]([O:3][H:12])([C:4]([C:5]([C:6](=[O:7])[H:17])([H:15])[H:16])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2](=[O:3])[H:11])([H:8])([H:9])[H:10].[C:4](=[C:5]([C:6](=[O:7])[H:17])[H:15])([H:13])[H:14].[H:12][H:16],"InChI=1S/C5H10O2/c1-5(7)3-2-4-6/h4-5,7H,2-3H2,1H3/t5-/m1/s1","InChI=1S/C3H4O.C2H4O.H2/c1-2-3-4;1-2-3;/h2-3H,1H2;2H,1H3;1H",64.75979,42.84087,
9394,[C:1]([C@@:2]([O:3][H:12])([C:4]([C:5]([C:6](=[O:7])[H:17])([H:15])[H:16])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C:4]([C:2](=[O:3])[H:11])([H:13])[H:14])([H:8])([H:9])[H:10].[C:5](=[C:6]([O:7][H:12])[H:17])([H:15])[H:16],"InChI=1S/C5H10O2/c1-5(7)3-2-4-6/h4-5,7H,2-3H2,1H3/t5-/m1/s1","InChI=1S/C3H6O.C2H4O/c1-2-3-4;1-2-3/h3H,2H2,1H3;2-3H,1H2",66.34297,20.359360000000002,
9395,[C:1]([C@@:2]([O:3][H:12])([C:4]([C:5]([C:6](=[O:7])[H:17])([H:15])[H:16])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[O:3][C@:6]([O:7][H:12])([H:17])[C:5]([H:15])([H:16])[C:4]1([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-5(7)3-2-4-6/h4-5,7H,2-3H2,1H3/t5-/m1/s1","InChI=1S/C5H10O2/c1-4-2-3-5(6)7-4/h4-6H,2-3H2,1H3/t4-,5-/m1/s1",30.9419,-1.59962,
9396,[C:1]([C@@:2]([O:3][H:12])([C:4]([C:5]([C:6](=[O:7])[H:17])([H:15])[H:16])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:12].[C:2](=[O:3])([C:4]([C:5]([C:6](=[O:7])[H:17])([H:15])[H:16])([H:13])[H:14])[H:11],"InChI=1S/C5H10O2/c1-5(7)3-2-4-6/h4-5,7H,2-3H2,1H3/t5-/m1/s1","InChI=1S/C4H6O2.CH4/c5-3-1-2-4-6;/h3-4H,1-2H2;1H4",79.22954,9.041960000000001,
9397,[C:1]([C@@:2]([O:3][H:12])([C:4]([C:5]([C:6](=[O:7])[H:17])([H:15])[H:16])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C@:2]1([H:11])[C:4]([H:13])([H:14])[C:5]([H:15])([H:16])[C:6]([H:17])[O:7]1)([H:8])([H:9])[H:10].[O:3][H:12],"InChI=1S/C5H10O2/c1-5(7)3-2-4-6/h4-5,7H,2-3H2,1H3/t5-/m1/s1","InChI=1S/C5H9O.HO/c1-5-3-2-4-6-5;/h4-5H,2-3H2,1H3;1H/t5-;/m1./s1",90.30303,98.09085999999999,
9398,[C:1]([C@@:2]([O:3][H:12])([C:4]([C:5]([C:6](=[O:7])[H:17])([H:15])[H:16])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2](=[O:3])[C:4]([C:5]([C:6](=[O:7])[H:17])([H:15])[H:16])([H:13])[H:14])([H:8])([H:9])[H:10].[H:11][H:12],"InChI=1S/C5H10O2/c1-5(7)3-2-4-6/h4-5,7H,2-3H2,1H3/t5-/m1/s1","InChI=1S/C5H8O2.H2/c1-5(7)3-2-4-6;/h4H,2-3H2,1H3;1H",78.18821,14.83126,
9399,[C:1]([C@@:2]([O:3][H:12])([C:4]([C:5]([C:6](=[O:7])[H:17])([H:15])[H:16])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2](=[O:3])[C:4]([C:5]([C:6]([O:7][H:12])([H:11])[H:17])([H:15])[H:16])([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-5(7)3-2-4-6/h4-5,7H,2-3H2,1H3/t5-/m1/s1","InChI=1S/C5H10O2/c1-5(7)3-2-4-6/h6H,2-4H2,1H3",32.03714,-3.4527,
9400,[C:1]([C@@:2]([O:3][H:12])([C:4]([C:5]([C:6](=[O:7])[H:17])([H:15])[H:16])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([O:3][H:12])=[C:4]([H:13])[H:14])([H:8])([H:9])[H:10].[C:5](=[C:6]([O:7][H:11])[H:17])([H:15])[H:16],"InChI=1S/C5H10O2/c1-5(7)3-2-4-6/h4-5,7H,2-3H2,1H3/t5-/m1/s1","InChI=1S/C3H6O.C2H4O/c1-3(2)4;1-2-3/h4H,1H2,2H3;2-3H,1H2",51.84325,24.049310000000002,Retroene
9401,[C:1]([C@@:2]([O:3][H:12])([C:4]([C:5]([C:6](=[O:7])[H:17])([H:15])[H:16])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]([O:3][H:12])(/[C:4](=[C:5](\[C:6](=[O:7])[H:17])[H:15])[H:14])[H:11])([H:8])([H:9])[H:10].[H:13][H:16],"InChI=1S/C5H10O2/c1-5(7)3-2-4-6/h4-5,7H,2-3H2,1H3/t5-/m1/s1","InChI=1S/C5H8O2.H2/c1-5(7)3-2-4-6;/h2-5,7H,1H3;1H/b3-2-;/t5-;/m1./s1",84.06588,26.412390000000002,
9402,[C:1]([C@@:2]([O:3][H:12])([C:4]([C:5]([C:6](=[O:7])[H:17])([H:15])[H:16])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]([O:3][H:12])([C:4](=[C:5]([H:15])[H:16])[H:14])[H:11])([H:8])([H:9])[H:10].[C:6](=[O:7])([H:13])[H:17],"InChI=1S/C5H10O2/c1-5(7)3-2-4-6/h4-5,7H,2-3H2,1H3/t5-/m1/s1","InChI=1S/C4H8O.CH2O/c1-3-4(2)5;1-2/h3-5H,1H2,2H3;1H2/t4-;/m1./s1",65.1637,31.69039,
9403,[C:1]([C@@:2]([O:3][H:12])([C:4]([C:5]([C:6](=[O:7])[H:17])([H:15])[H:16])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]([O:3][H:12])([C:4](/[C:5](=[C:6](\[O:7][H:16])[H:17])[H:15])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-5(7)3-2-4-6/h4-5,7H,2-3H2,1H3/t5-/m1/s1","InChI=1S/C5H10O2/c1-5(7)3-2-4-6/h2,4-7H,3H2,1H3/b4-2-/t5-/m1/s1",66.38171,8.10667,ketoenol
9404,[C:1]([C@@:2]([O:3][H:12])([C:4]([C:5]([C:6](=[O:7])[H:17])([H:15])[H:16])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([O:3][H:12])([C:4]([H:13])([H:14])[H:15])[H:11])([H:8])([H:9])[H:10].[C:5](=[C:6]=[O:7])([H:16])[H:17],"InChI=1S/C5H10O2/c1-5(7)3-2-4-6/h4-5,7H,2-3H2,1H3/t5-/m1/s1","InChI=1S/C3H8O.C2H2O/c1-3(2)4;1-2-3/h3-4H,1-2H3;1H2",75.75995,17.4153,
9405,[C:1]([C@@:2]([O:3][H:12])([C:4]([C:5]([C:6](=[O:7])[H:17])([H:15])[H:16])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]([O:3][H:12])([C:4]([O:7][C:6](=[C:5]([H:15])[H:16])[H:17])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-5(7)3-2-4-6/h4-5,7H,2-3H2,1H3/t5-/m1/s1","InChI=1S/C5H10O2/c1-3-7-4-5(2)6/h3,5-6H,1,4H2,2H3/t5-/m1/s1",73.56566,19.996270000000003,ketoenol
9406,[C:1]([C@@:2]([O:3][H:12])([C:4]([C:5]([C:6](=[O:7])[H:17])([H:15])[H:16])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([O:3][H:12])([H:8])([H:9])[H:10].[C:2]([C:4]([C:5]([C:6](=[O:7])[H:17])([H:15])[H:16])([H:13])[H:14])[H:11],"InChI=1S/C5H10O2/c1-5(7)3-2-4-6/h4-5,7H,2-3H2,1H3/t5-/m1/s1","InChI=1S/C4H6O.CH4O/c1-2-3-4-5;1-2/h1,4H,2-3H2;2H,1H3",110.63846000000001,81.35503,
9407,[C:1]([C@@:2]([O:3][H:12])([C:4]([C:5]([C:6](=[O:7])[H:17])([H:15])[H:16])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:11].[C:2]([O:3][H:12])[C:4]([C:5]([C:6](=[O:7])[H:17])([H:15])[H:16])([H:13])[H:14],"InChI=1S/C5H10O2/c1-5(7)3-2-4-6/h4-5,7H,2-3H2,1H3/t5-/m1/s1","InChI=1S/C4H6O2.CH4/c5-3-1-2-4-6;/h3,6H,1-2H2;1H4",70.82415,62.606840000000005,
9408,[C:1]([C@@:2]([O:3][H:12])([C:4]([C:5]([C:6](=[O:7])[H:17])([H:15])[H:16])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:4](/[C:5]([C:6](=[O:7])[H:17])([H:15])[H:16])[H:14])[H:11])([H:8])([H:9])[H:10].[O:3]([H:12])[H:13],"InChI=1S/C5H10O2/c1-5(7)3-2-4-6/h4-5,7H,2-3H2,1H3/t5-/m1/s1","InChI=1S/C5H8O.H2O/c1-2-3-4-5-6;/h2-3,5H,4H2,1H3;1H2/b3-2+;",58.419819999999994,14.706920000000002,"1,3_Insertion_ROR"
9409,[C:1]([C@@:2]([O:3][H:12])([C:4]([C:5]([C:6](=[O:7])[H:17])([H:15])[H:16])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]1([H:8])([H:10])[C@:2]([O:3][H:12])([H:11])[C:4]([H:13])([H:14])[C:5]([H:15])([H:16])[C@@:6]1([O:7][H:9])[H:17],"InChI=1S/C5H10O2/c1-5(7)3-2-4-6/h4-5,7H,2-3H2,1H3/t5-/m1/s1","InChI=1S/C5H10O2/c6-4-1-2-5(7)3-4/h4-7H,1-3H2/t4-,5-/m0/s1",84.11932,2.61225,
9410,[C:1]([C@@:2]([O:3][H:12])([C:4]([C:5]([C:6](=[O:7])[H:17])([H:15])[H:16])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C-:6]#[O+:7].[C:1]([C:2]([O:3][H:12])([H:11])[H:17])([H:8])([H:9])[H:10].[C:4](=[C:5]([H:15])[H:16])([H:13])[H:14],"InChI=1S/C5H10O2/c1-5(7)3-2-4-6/h4-5,7H,2-3H2,1H3/t5-/m1/s1","InChI=1S/C2H6O.C2H4.CO/c1-2-3;2*1-2/h3H,2H2,1H3;1-2H2;",77.40047,27.29622,
9411,[C:1]([C@@:2]([O:3][H:12])([C:4]([C:5]([C:6](=[O:7])[H:17])([H:15])[H:16])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]([O:3][H:12])([C:4]([C:5]([C:6][O:7][H:17])([H:15])[H:16])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-5(7)3-2-4-6/h4-5,7H,2-3H2,1H3/t5-/m1/s1","InChI=1S/C5H10O2/c1-5(7)3-2-4-6/h5-7H,2-3H2,1H3/t5-/m1/s1",81.12122,57.69566,
9412,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[O:4][C@:5]([C:6]([H:15])([H:16])[H:17])([H:14])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C:2]([C:3](=[O:4])[H:12])([H:11])[H:13])([H:8])([H:9])[H:10].[C:5]([C:6]([H:15])([H:16])[H:17])(=[O:7])[H:14],"InChI=1S/C5H10O2/c1-4-3-6-5(2)7-4/h4-5H,3H2,1-2H3/t4-,5+/m0/s1","InChI=1S/C3H6O.C2H4O/c1-2-3-4;1-2-3/h3H,2H2,1H3;2H,1H3",52.52406,6.03607,
9413,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[O:4][C@:5]([C:6]([H:15])([H:16])[H:17])([H:14])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C-:3]=[O+:4][C@:5]([C:6]([H:15])([H:16])[H:17])([H:14])[O:7]1)([H:8])([H:9])[H:10].[H:12][H:13],"InChI=1S/C5H10O2/c1-4-3-6-5(2)7-4/h4-5H,3H2,1-2H3/t4-,5+/m0/s1","InChI=1S/C5H8O2.H2/c1-4-3-6-5(2)7-4;/h4-5H,1-2H3;1H/t4-,5+;/m0./s1",72.34402,63.15206,
9414,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[O:4][C@:5]([C:6]([H:15])([H:16])[H:17])([H:14])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[O+:4]=[C-:5][O:7]1)([H:8])([H:9])[H:10].[C:6]([H:14])([H:15])([H:16])[H:17],"InChI=1S/C5H10O2/c1-4-3-6-5(2)7-4/h4-5H,3H2,1-2H3/t4-,5+/m0/s1","InChI=1S/C4H6O2.CH4/c1-4-2-5-3-6-4;/h4H,2H2,1H3;1H4/t4-;/m0./s1",66.97978,31.73723,
9415,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[O:4][C@:5]([C:6]([H:15])([H:16])[H:17])([H:14])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C@@:2]([C:3]([O:4][C:6]([H:15])([H:16])[H:17])([H:12])[H:13])([O+:7]=[C-:5][H:14])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-4-3-6-5(2)7-4/h4-5H,3H2,1-2H3/t4-,5+/m0/s1","InChI=1S/C5H10O2/c1-5(7-3)4-6-2/h3,5H,4H2,1-2H3/t5-/m0/s1",110.38738000000001,76.17959,
9416,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[O:4][C@:5]([C:6]([H:15])([H:16])[H:17])([H:14])[O:7]1)([H:8])([H:9])[H:10],[C-:2]1=[O+:7][C@@:5]([C:6]([H:15])([H:16])[H:17])([H:14])[O:4][C:3]1([H:12])[H:13].[C:1]([H:8])([H:9])([H:10])[H:11],"InChI=1S/C5H10O2/c1-4-3-6-5(2)7-4/h4-5H,3H2,1-2H3/t4-,5+/m0/s1","InChI=1S/C4H6O2.CH4/c1-4-5-2-3-6-4;/h4H,2H2,1H3;1H4/t4-;/m1./s1",69.18235,53.31776,
9417,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[O:4][C@:5]([C:6]([H:15])([H:16])[H:17])([H:14])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C-:2]1[C:3]([H:12])([H:13])[O:4][C:5]([C:6]([H:15])([H:16])[H:17])=[O+:7]1)([H:8])([H:9])[H:10].[H:11][H:14],"InChI=1S/C5H10O2/c1-4-3-6-5(2)7-4/h4-5H,3H2,1-2H3/t4-,5+/m0/s1","InChI=1S/C5H8O2.H2/c1-4-3-6-5(2)7-4;/h3H2,1-2H3;1H",67.6995,68.37528,
9418,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[O:4][C@:5]([C:6]([H:15])([H:16])[H:17])([H:14])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C-:3]([H:12])[O+:4]=[C:5]([C:6]([H:15])([H:16])[H:17])[O:7]1)([H:8])([H:9])[H:10].[H:13][H:14],"InChI=1S/C5H10O2/c1-4-3-6-5(2)7-4/h4-5H,3H2,1-2H3/t4-,5+/m0/s1","InChI=1S/C5H8O2.H2/c1-4-3-6-5(2)7-4;/h3-4H,1-2H3;1H/t4-;/m0./s1",67.73682,68.04941,
9419,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[O:4][C@:5]([C:6]([H:15])([H:16])[H:17])([H:14])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C:2]1[C:3]([H:12])([H:13])[O:4][C:5]([H:11])([H:14])[O:7]1)([H:8])([H:9])[H:10].[C:6]([H:15])([H:16])[H:17],"InChI=1S/C5H10O2/c1-4-3-6-5(2)7-4/h4-5H,3H2,1-2H3/t4-,5+/m0/s1","InChI=1S/C4H7O2.CH3/c1-4-2-5-3-6-4;/h2-3H2,1H3;1H3",128.36181000000002,89.925,
9420,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[O:4][C@:5]([C:6]([H:15])([H:16])[H:17])([H:14])[O:7]1)([H:8])([H:9])[H:10],[C:1](=[C:2]1[C:3]([H:12])([H:13])[O:4][C@:5]([C:6]([H:15])([H:16])[H:17])([H:14])[O:7]1)([H:8])[H:10].[H:9][H:11],"InChI=1S/C5H10O2/c1-4-3-6-5(2)7-4/h4-5H,3H2,1-2H3/t4-,5+/m0/s1","InChI=1S/C5H8O2.H2/c1-4-3-6-5(2)7-4;/h5H,1,3H2,2H3;1H/t5-;/m1./s1",99.48469,25.024160000000002,
9421,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[O:4][C@:5]([C:6]([H:15])([H:16])[H:17])([H:14])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]([H:12])[H:13])[H:11])([H:8])([H:9])[H:10].[O:4]([C:5](=[O:7])[H:14])[C:6]([H:15])([H:16])[H:17],"InChI=1S/C5H10O2/c1-4-3-6-5(2)7-4/h4-5H,3H2,1-2H3/t4-,5+/m0/s1","InChI=1S/C3H6.C2H4O2/c1-3-2;1-4-2-3/h3H,1H2,2H3;2H,1H3",79.538,11.59345,
9422,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[O:4][C@:5]([C:6]([H:15])([H:16])[H:17])([H:14])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[O:7]1)([H:8])([H:9])[H:10].[O:4]=[C:5]([C:6]([H:15])([H:16])[H:17])[H:14],"InChI=1S/C5H10O2/c1-4-3-6-5(2)7-4/h4-5H,3H2,1-2H3/t4-,5+/m0/s1","InChI=1S/C3H6O.C2H4O/c1-3-2-4-3;1-2-3/h3H,2H2,1H3;2H,1H3/t3-;/m0./s1",65.1289,27.98958,
9423,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[O:4][C@:5]([C:6]([H:15])([H:16])[H:17])([H:14])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C:2]([O:7][C@@:5]([O+:4]=[C-:3][H:13])([C:6]([H:15])([H:16])[H:17])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-4-3-6-5(2)7-4/h4-5H,3H2,1-2H3/t4-,5+/m0/s1","InChI=1S/C5H10O2/c1-4-7-5(2)6-3/h3,5H,4H2,1-2H3/t5-/m1/s1",70.07168,65.69261999999999,
9424,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[O:4][C@:5]([C:6]([H:15])([H:16])[H:17])([H:14])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C@@:2]([C:3](=[O+:4][C-:5]([C:6]([H:15])([H:16])[H:17])[H:14])[H:12])([O:7][H:13])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-4-3-6-5(2)7-4/h4-5H,3H2,1-2H3/t4-,5+/m0/s1","InChI=1S/C5H10O2/c1-3-7-4-5(2)6/h3-6H,1-2H3/t5-/m0/s1",87.70706,54.483630000000005,
9425,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[O:4][C@:5]([C:6]([H:15])([H:16])[H:17])([H:14])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([O:4][H:11])([H:12])[H:13])=[O+:7][C-:5]([C:6]([H:15])([H:16])[H:17])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-4-3-6-5(2)7-4/h4-5H,3H2,1-2H3/t4-,5+/m0/s1","InChI=1S/C5H10O2/c1-3-7-5(2)4-6/h3,6H,4H2,1-2H3",85.62885,52.634409999999995,
9426,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[O:4][C@:5]([C:6]([H:15])([H:16])[H:17])([H:14])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C@@:2]([C:3]([O+:4]=[C-:5][C:6]([H:15])([H:16])[H:17])([H:12])[H:13])([O:7][H:14])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-4-3-6-5(2)7-4/h4-5H,3H2,1-2H3/t4-,5+/m0/s1","InChI=1S/C5H10O2/c1-3-7-4-5(2)6/h5-6H,4H2,1-2H3/t5-/m0/s1",69.75399,58.806830000000005,
9427,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[O:4][C@:5]([C:6]([H:15])([H:16])[H:17])([H:14])[O:7]1)([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])[H:10].[C@:2]1([O:7][C:5]([C:6]([H:15])([H:16])[H:17])[H:14])([H:11])[C:3]([H:12])([H:13])[O:4]1,"InChI=1S/C5H10O2/c1-4-3-6-5(2)7-4/h4-5H,3H2,1-2H3/t4-,5+/m0/s1","InChI=1S/C4H7O2.CH3/c1-2-5-4-3-6-4;/h2,4H,3H2,1H3;1H3/t4-;/m1./s1",119.39386999999999,111.63475,
9428,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[O:4][C@:5]([C:6]([H:15])([H:16])[H:17])([H:14])[O:7]1)([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:12].[C:2]1([H:11])=[C:3]([H:13])[O:4][C:5]([C:6]([H:15])([H:16])[H:17])([H:14])[O:7]1,"InChI=1S/C5H10O2/c1-4-3-6-5(2)7-4/h4-5H,3H2,1-2H3/t4-,5+/m0/s1","InChI=1S/C4H6O2.CH4/c1-4-5-2-3-6-4;/h2-4H,1H3;1H4",105.46075,17.538870000000003,
9429,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[O:4][C@:5]([C:6]([H:15])([H:16])[H:17])([H:14])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])=[O:7])([H:8])([H:9])[H:10].[O:4]=[C:5]([C:6]([H:15])([H:16])[H:17])[H:14],"InChI=1S/C5H10O2/c1-4-3-6-5(2)7-4/h4-5H,3H2,1-2H3/t4-,5+/m0/s1","InChI=1S/C3H6O.C2H4O/c1-3(2)4;1-2-3/h1-2H3;2H,1H3",69.72426999999999,-1.58913,
9430,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[O:4][C@:5]([C:6]([H:15])([H:16])[H:17])([H:14])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C-:3]([H:13])[O+:4]=[C:5]([H:14])[O:7]1)([H:8])([H:9])[H:10].[C:6]([H:12])([H:15])([H:16])[H:17],"InChI=1S/C5H10O2/c1-4-3-6-5(2)7-4/h4-5H,3H2,1-2H3/t4-,5+/m0/s1","InChI=1S/C4H6O2.CH4/c1-4-2-5-3-6-4;/h2-4H,1H3;1H4/t4-;/m0./s1",79.60446999999999,62.90915,
9431,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[O:4][C@:5]([C:6]([H:15])([H:16])[H:17])([H:14])[O:7]1)([H:8])([H:9])[H:10],[C:1]1([H:8])([H:10])[C:2]([H:9])([H:11])[C:3]([H:12])([H:13])[O:4][C:5]([C:6]([H:15])([H:16])[H:17])([H:14])[O:7]1,"InChI=1S/C5H10O2/c1-4-3-6-5(2)7-4/h4-5H,3H2,1-2H3/t4-,5+/m0/s1","InChI=1S/C5H10O2/c1-5-6-3-2-4-7-5/h5H,2-4H2,1H3",89.92295,3.24103,
9432,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[O:4][C@:5]([C:6]([H:15])([H:16])[H:17])([H:14])[O:7]1)([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:3](\[O:4][C@@:5]([C:6]([H:15])([H:16])[H:17])([O:7][H:13])[H:14])[H:12])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-4-3-6-5(2)7-4/h4-5H,3H2,1-2H3/t4-,5+/m0/s1","InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-6H,1-2H3/b4-3-/t5-/m0/s1",63.174609999999994,3.53234,
9433,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[O:4][C@:5]([C:6]([H:15])([H:16])[H:17])([H:14])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:3]([H:13])[O:4][C@:5]([C:6]([H:15])([H:16])[H:17])([H:14])[O:7]1)([H:8])([H:9])[H:10].[H:11][H:12],"InChI=1S/C5H10O2/c1-4-3-6-5(2)7-4/h4-5H,3H2,1-2H3/t4-,5+/m0/s1","InChI=1S/C5H8O2.H2/c1-4-3-6-5(2)7-4;/h3,5H,1-2H3;1H/t5-;/m1./s1",88.37477,25.11099,
9434,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[O:4][C@:5]([C:6]([H:15])([H:16])[H:17])([H:14])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]([H:12])[H:13])[O:7][C@@:5]([O:4][H:11])([C:6]([H:15])([H:16])[H:17])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-4-3-6-5(2)7-4/h4-5H,3H2,1-2H3/t4-,5+/m0/s1","InChI=1S/C5H10O2/c1-4(2)7-5(3)6/h5-6H,1H2,2-3H3/t5-/m1/s1",65.39191,1.31037,
9435,[N:1](=[C:2]1\[O:3][C:4]([H:9])([H:10])[C@@:5]2([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14])\[H:8],[N:1](=[C-:2][C@@:7]1([H:14])[C+:5]([C:4]([O:3][H:11])([H:9])[H:10])[C:6]1([H:12])[H:13])[H:8],"InChI=1S/C5H7NO/c6-5-4-1-3(4)2-7-5/h3-4,6H,1-2H2/b6-5-/t3-,4-/m1/s1","InChI=1S/C5H7NO/c6-2-4-1-5(4)3-7/h4,6-7H,1,3H2/t4-/m0/s1",112.44968,77.85004,
9436,[N:1](=[C:2]1\[O:3][C:4]([H:9])([H:10])[C@@:5]2([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14])\[H:8],[C:5]1([H:11])=[C:7]([H:14])[C:6]1([H:12])[H:13].[N:1](=[C:2])[H:8].[O:3]=[C:4]([H:9])[H:10],"InChI=1S/C5H7NO/c6-5-4-1-3(4)2-7-5/h3-4,6H,1-2H2/b6-5-/t3-,4-/m1/s1","InChI=1S/C3H4.CHN.CH2O/c1-2-3-1;2*1-2/h1-2H,3H2;2H;1H2",97.52842,98.24601,
9437,[N:1](=[C:2]1\[O:3][C:4]([H:9])([H:10])[C@@:5]2([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14])\[H:8],[N:1](=[C:2]1\[O:3][C:4]([H:9])([H:10])[C@:5]([C:6]([H:12])([H:13])[H:14])([H:11])[C:7]1)\[H:8],"InChI=1S/C5H7NO/c6-5-4-1-3(4)2-7-5/h3-4,6H,1-2H2/b6-5-/t3-,4-/m1/s1","InChI=1S/C5H7NO/c1-4-2-5(6)7-3-4/h4,6H,3H2,1H3/b6-5-/t4-/m0/s1",66.92636,71.08454,
9438,[N:1](=[C:2]1\[O:3][C:4]([H:9])([H:10])[C@@:5]2([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14])\[H:8],[N:1]1([H:8])[C:2](=[O:3])[C@:7]([C:5](=[C:4]([H:9])[H:10])[H:11])([H:14])[C:6]1([H:12])[H:13],"InChI=1S/C5H7NO/c6-5-4-1-3(4)2-7-5/h3-4,6H,1-2H2/b6-5-/t3-,4-/m1/s1","InChI=1S/C5H7NO/c1-2-4-3-6-5(4)7/h2,4H,1,3H2,(H,6,7)/t4-/m0/s1",55.633419999999994,-2.3136200000000002,
9439,[N:1](=[C:2]1\[O:3][C:4]([H:9])([H:10])[C@@:5]2([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14])\[H:8],[N:1](=[C:2]1\[O:3][C:4]([H:9])([H:10])[C@@:5]([C:7][H:14])([H:11])[C:6]1([H:12])[H:13])\[H:8],"InChI=1S/C5H7NO/c6-5-4-1-3(4)2-7-5/h3-4,6H,1-2H2/b6-5-/t3-,4-/m1/s1","InChI=1S/C5H7NO/c1-4-2-5(6)7-3-4/h1,4,6H,2-3H2/b6-5-/t4-/m1/s1",92.15675999999999,77.17051,
9440,[N:1](=[C:2]1\[O:3][C:4]([H:9])([H:10])[C@@:5]2([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14])\[H:8],[H:9][H:12].[N:1](=[c:2]1\[o:3][c:4]([H:10])[c:5]([H:11])[c:6]([H:13])[c:7]1[H:14])\[H:8],"InChI=1S/C5H7NO/c6-5-4-1-3(4)2-7-5/h3-4,6H,1-2H2/b6-5-/t3-,4-/m1/s1","InChI=1S/C5H5NO.H2/c6-5-3-1-2-4-7-5;/h1-4,6H;1H/b6-5-;",88.02686,6.70683,
9441,[N:1](=[C:2]1\[O:3][C:4]([H:9])([H:10])[C@@:5]2([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14])\[H:8],[N:1]1([H:8])[C:2](=[O:3])[C@:7]1([C:6]([C:5](=[C:4]([H:9])[H:10])[H:11])([H:12])[H:13])[H:14],"InChI=1S/C5H7NO/c6-5-4-1-3(4)2-7-5/h3-4,6H,1-2H2/b6-5-/t3-,4-/m1/s1","InChI=1S/C5H7NO/c1-2-3-4-5(7)6-4/h2,4H,1,3H2,(H,6,7)/t4-/m1/s1",46.670120000000004,22.11649,
9442,[N:1](=[C:2]1\[O:3][C:4]([H:9])([H:10])[C@@:5]2([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14])\[H:8],[N:1](=[C:2](/[C@@:7]1([H:14])[C@:5]([C:4](=[O:3])[H:10])([H:11])[C:6]1([H:12])[H:13])[H:9])\[H:8],"InChI=1S/C5H7NO/c6-5-4-1-3(4)2-7-5/h3-4,6H,1-2H2/b6-5-/t3-,4-/m1/s1","InChI=1S/C5H7NO/c6-2-4-1-5(4)3-7/h2-6H,1H2/b6-2+/t4-,5+/m0/s1",76.87406999999999,9.07122,
9443,[N:1](=[C:2]1\[O:3][C:4]([H:9])([H:10])[C@@:5]2([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14])\[H:8],[N:1](=[C:2]=[C:7]([C:6]([C:5]([C:4](=[O:3])[H:10])([H:9])[H:11])([H:12])[H:13])[H:14])[H:8],"InChI=1S/C5H7NO/c6-5-4-1-3(4)2-7-5/h3-4,6H,1-2H2/b6-5-/t3-,4-/m1/s1","InChI=1S/C5H7NO/c6-4-2-1-3-5-7/h2,5-6H,1,3H2",64.05196,8.37355,
9444,[N:1](=[C:2]1\[O:3][C:4]([H:9])([H:10])[C@@:5]2([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14])\[H:8],[N:1](=[C:2]=[C:7]([C:5]1([H:11])[C:4]([H:9])([H:10])[O:3][C:6]1([H:12])[H:13])[H:14])[H:8],"InChI=1S/C5H7NO/c6-5-4-1-3(4)2-7-5/h3-4,6H,1-2H2/b6-5-/t3-,4-/m1/s1","InChI=1S/C5H7NO/c6-2-1-5-3-7-4-5/h1,5-6H,3-4H2",88.14325,33.34659,
9445,[N:1](=[C:2]1\[O:3][C:4]([H:9])([H:10])[C@@:5]2([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14])\[H:8],[N:1]1([H:8])[C:2]([O:3][C:4]([C:5](=[C:6]([H:12])[H:13])[H:11])([H:9])[H:10])=[C:7]1[H:14],"InChI=1S/C5H7NO/c6-5-4-1-3(4)2-7-5/h3-4,6H,1-2H2/b6-5-/t3-,4-/m1/s1","InChI=1S/C5H7NO/c1-2-3-7-5-4-6-5/h2,4,6H,1,3H2",79.76812,79.24284,
9446,[N:1](=[C:2]1\[O:3][C:4]([H:9])([H:10])[C@@:5]2([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14])\[H:8],[N:1](=[C:2]1\[O:3][C:4]([H:9])([H:10])[C:6]([H:12])([H:13])[C@@:7]1([C:5][H:11])[H:14])\[H:8],"InChI=1S/C5H7NO/c6-5-4-1-3(4)2-7-5/h3-4,6H,1-2H2/b6-5-/t3-,4-/m1/s1","InChI=1S/C5H7NO/c1-4-2-3-7-5(4)6/h1,4,6H,2-3H2/b6-5-/t4-/m0/s1",114.75243999999999,78.75386999999999,
9447,[N:1](=[C:2]1\[O:3][C:4]([H:9])([H:10])[C@@:5]2([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14])\[H:8],[N:1](=[C:2](\[O+:3]=[C-:4][H:10])[C:7]1([H:14])[C:5]([H:9])([H:11])[C:6]1([H:12])[H:13])\[H:8],"InChI=1S/C5H7NO/c6-5-4-1-3(4)2-7-5/h3-4,6H,1-2H2/b6-5-/t3-,4-/m1/s1","InChI=1S/C5H7NO/c1-7-5(6)4-2-3-4/h1,4,6H,2-3H2/b6-5-",80.70921,69.91147,
9448,[N:1](=[C:2]1\[O:3][C:4]([H:9])([H:10])[C@@:5]2([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14])\[H:8],[N:1](=[C:2]1/[C@@:6]2([H:13])[C@:5]([C:4]([O:3][H:12])([H:9])[H:10])([H:11])[C@@:7]12[H:14])\[H:8],"InChI=1S/C5H7NO/c6-5-4-1-3(4)2-7-5/h3-4,6H,1-2H2/b6-5-/t3-,4-/m1/s1","InChI=1S/C5H7NO/c6-5-3-2(1-7)4(3)5/h2-4,6-7H,1H2/b6-5-/t2-,3+,4-/m1/s1",79.30488000000001,40.92018,
9449,[N:1](=[C:2]1\[O:3][C:4]([H:9])([H:10])[C@@:5]2([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14])\[H:8],[H:8][H:10].[N:1]#[C:2][C@@:7]1([H:14])[C@:5]([C:4](=[O:3])[H:9])([H:11])[C:6]1([H:12])[H:13],"InChI=1S/C5H7NO/c6-5-4-1-3(4)2-7-5/h3-4,6H,1-2H2/b6-5-/t3-,4-/m1/s1","InChI=1S/C5H5NO.H2/c6-2-4-1-5(4)3-7;/h3-5H,1H2;1H/t4-,5+;/m0./s1",75.29032,24.54642,
9450,[N:1](=[C:2]1\[O:3][C:4]([H:9])([H:10])[C@@:5]2([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14])\[H:8],[N:1](=[C:2]=[C:7]1[C@:5]([C:4]([O:3][H:14])([H:9])[H:10])([H:11])[C:6]1([H:12])[H:13])[H:8],"InChI=1S/C5H7NO/c6-5-4-1-3(4)2-7-5/h3-4,6H,1-2H2/b6-5-/t3-,4-/m1/s1","InChI=1S/C5H7NO/c6-2-4-1-5(4)3-7/h5-7H,1,3H2/t5-/m1/s1",102.95561,31.3952,
9451,[N:1](=[C:2]1\[O:3][C:4]([H:9])([H:10])[C@@:5]2([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14])\[H:8],[N:1]([C:2]1=[O+:3][C:4]([H:9])([H:10])[C@@:5]2([H:11])[C-:6]([H:12])[C@@:7]12[H:14])([H:8])[H:13],"InChI=1S/C5H7NO/c6-5-4-1-3(4)2-7-5/h3-4,6H,1-2H2/b6-5-/t3-,4-/m1/s1","InChI=1S/C5H7NO/c6-5-4-1-3(4)2-7-5/h1,3-4H,2,6H2/t3-,4-/m1/s1",113.60812,57.473369999999996,
9452,[N:1](=[C:2]1\[O:3][C:4]([H:9])([H:10])[C@@:5]2([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14])\[H:8],[N:1]#[C:2][O:3][C:4](/[C:5](=[C:7](\[C:6]([H:8])([H:12])[H:13])[H:14])[H:11])([H:9])[H:10],"InChI=1S/C5H7NO/c6-5-4-1-3(4)2-7-5/h3-4,6H,1-2H2/b6-5-/t3-,4-/m1/s1","InChI=1S/C5H7NO/c1-2-3-4-7-5-6/h2-3H,4H2,1H3/b3-2-",86.6618,12.83357,
9453,[N:1](=[C:2]1\[O:3][C:4]([H:9])([H:10])[C@@:5]2([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14])\[H:8],[N:1](=[C:2]1\[O:3][C:4]([H:9])([H:10])[C:5]([H:11])=[C:7]([H:14])[C:6]1([H:12])[H:13])\[H:8],"InChI=1S/C5H7NO/c6-5-4-1-3(4)2-7-5/h3-4,6H,1-2H2/b6-5-/t3-,4-/m1/s1","InChI=1S/C5H7NO/c6-5-3-1-2-4-7-5/h1-2,6H,3-4H2/b6-5-",92.15543000000001,-4.80609,
9454,[N:1](=[C:2]1\[O:3][C:4]([H:9])([H:10])[C@@:5]2([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14])\[H:8],[N:1](=[C:2](/[O:3][C:4]([C:5]1([H:11])[C:6]([H:13])=[C:7]1[H:14])([H:9])[H:10])[H:12])\[H:8],"InChI=1S/C5H7NO/c6-5-4-1-3(4)2-7-5/h3-4,6H,1-2H2/b6-5-/t3-,4-/m1/s1","InChI=1S/C5H7NO/c6-4-7-3-5-1-2-5/h1-2,4-6H,3H2/b6-4+",104.09088,49.85771,
9455,[N:1](=[C:2]1\[O:3][C:4]([H:9])([H:10])[C@@:5]2([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14])\[H:8],[N:1](=[C:2](\[O:3][C:4](=[C:5]([H:10])[H:11])[H:9])[C:7](=[C:6]([H:12])[H:13])[H:14])\[H:8],"InChI=1S/C5H7NO/c6-5-4-1-3(4)2-7-5/h3-4,6H,1-2H2/b6-5-/t3-,4-/m1/s1","InChI=1S/C5H7NO/c1-3-5(6)7-4-2/h3-4,6H,1-2H2/b6-5-",87.74333,10.493039999999999,
9456,[N:1](=[C:2]1\[O:3][C:4]([H:9])([H:10])[C@@:5]2([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14])\[H:8],[N:1]([C@@:2]12[O:3][C:4]([H:9])([H:10])[C@@:5]3([H:11])[C@:6]1([H:13])[C@@:7]23[H:14])([H:8])[H:12],"InChI=1S/C5H7NO/c6-5-4-1-3(4)2-7-5/h3-4,6H,1-2H2/b6-5-/t3-,4-/m1/s1","InChI=1S/C5H7NO/c6-5-3-2(1-7-5)4(3)5/h2-4H,1,6H2/t2-,3+,4-,5+",85.81935,40.21219,
9457,[N:1](=[C:2]1\[O:3][C:4]([H:9])([H:10])[C@@:5]2([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14])\[H:8],[N:1]#[C:2][C@@:7]1([H:14])[C@:5]([C:4]([O:3][H:8])([H:9])[H:10])([H:11])[C:6]1([H:12])[H:13],"InChI=1S/C5H7NO/c6-5-4-1-3(4)2-7-5/h3-4,6H,1-2H2/b6-5-/t3-,4-/m1/s1","InChI=1S/C5H7NO/c6-2-4-1-5(4)3-7/h4-5,7H,1,3H2/t4-,5+/m0/s1",56.732530000000004,3.9291300000000002,
9458,[N:1](=[C:2]1\[O:3][C:4]([H:9])([H:10])[C@@:5]2([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14])\[H:8],[N:1]1([H:8])[C@:2]23[O:3][C:4]([H:9])([H:10])[C@@:5]2([H:11])[C:6]([H:12])([H:13])[C@:7]13[H:14],"InChI=1S/C5H7NO/c6-5-4-1-3(4)2-7-5/h3-4,6H,1-2H2/b6-5-/t3-,4-/m1/s1","InChI=1S/C5H7NO/c1-3-2-7-5(3)4(1)6-5/h3-4,6H,1-2H2/t3-,4+,5+/m1/s1",89.93218,70.26514,
9459,[N:1](=[C:2]1\[O:3][C:4]([H:9])([H:10])[C@@:5]2([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14])\[H:8],[N:1](=[C:2]1\[O:3][C:4]([H:9])([H:10])[C@:5]1([C:7](=[C:6]([H:12])[H:13])[H:14])[H:11])\[H:8],"InChI=1S/C5H7NO/c6-5-4-1-3(4)2-7-5/h3-4,6H,1-2H2/b6-5-/t3-,4-/m1/s1","InChI=1S/C5H7NO/c1-2-4-3-7-5(4)6/h2,4,6H,1,3H2/b6-5-/t4-/m1/s1",104.27741999999999,11.94384,
9460,[N:1](=[C:2]1\[O:3][C:4]([H:9])([H:10])[C@@:5]2([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14])\[H:8],[N:1](=[C:2]1\[O:3][C:4]([H:9])([H:10])[C:5][C:6]([H:12])([H:13])[C:7]1([H:11])[H:14])\[H:8],"InChI=1S/C5H7NO/c6-5-4-1-3(4)2-7-5/h3-4,6H,1-2H2/b6-5-/t3-,4-/m1/s1","InChI=1S/C5H7NO/c6-5-3-1-2-4-7-5/h6H,1,3-4H2/b6-5-",66.31716999999999,63.9363,
9461,[N:1](=[C:2]1\[O:3][C:4]([H:9])([H:10])[C@@:5]2([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14])\[H:8],[N:1]([C:2]1=[C:7]2[C@@:5]([H:11])([C:4]([H:9])([H:10])[O:3]1)[C:6]2([H:12])[H:13])([H:8])[H:14],"InChI=1S/C5H7NO/c6-5-4-1-3(4)2-7-5/h3-4,6H,1-2H2/b6-5-/t3-,4-/m1/s1","InChI=1S/C5H7NO/c6-5-4-1-3(4)2-7-5/h3H,1-2,6H2/t3-/m1/s1",69.08093000000001,37.702740000000006,
9462,[N:1](=[C:2]1\[O:3][C:4]([H:9])([H:10])[C@@:5]2([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14])\[H:8],[N:1](=[C:2](\[O:3][C:4]([H:9])([H:10])[H:13])[C:7]1([H:14])[C:5]([H:11])=[C:6]1[H:12])\[H:8],"InChI=1S/C5H7NO/c6-5-4-1-3(4)2-7-5/h3-4,6H,1-2H2/b6-5-/t3-,4-/m1/s1","InChI=1S/C5H7NO/c1-7-5(6)4-2-3-4/h2-4,6H,1H3/b6-5-",96.89347,48.39522,
9463,[N:1](=[C:2]1\[O:3][C:4]([H:9])([H:10])[C@@:5]2([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14])\[H:8],[N:1](=[C:2]1\[O:3][C@:4]2([H:9])[C@@:5]([H:11])([C:6]2([H:12])[H:13])[C:7]1([H:10])[H:14])\[H:8],"InChI=1S/C5H7NO/c6-5-4-1-3(4)2-7-5/h3-4,6H,1-2H2/b6-5-/t3-,4-/m1/s1","InChI=1S/C5H7NO/c6-5-2-3-1-4(3)7-5/h3-4,6H,1-2H2/b6-5-/t3-,4-/m0/s1",91.38786999999999,2.01441,
9464,[N:1](=[C:2]1\[O:3][C:4]([H:9])([H:10])[C@@:5]2([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14])\[H:8],[N:1](=[C:2]1\[O:3][C:4]([H:9])([H:10])[C:5]([H:11])([H:14])[C:6]([H:12])([H:13])[C:7]1)\[H:8],"InChI=1S/C5H7NO/c6-5-4-1-3(4)2-7-5/h3-4,6H,1-2H2/b6-5-/t3-,4-/m1/s1","InChI=1S/C5H7NO/c6-5-3-1-2-4-7-5/h6H,1-2,4H2/b6-5-",70.16932,73.12821,
9465,[N:1](=[C:2]1\[O:3][C:4]([H:9])([H:10])[C@@:5]2([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14])\[H:8],[N:1](=[C:2](/[C:7]1([H:14])[C:5]([H:11])=[C:6]1[H:13])[H:12])\[H:8].[O:3]=[C:4]([H:9])[H:10],"InChI=1S/C5H7NO/c6-5-4-1-3(4)2-7-5/h3-4,6H,1-2H2/b6-5-/t3-,4-/m1/s1",InChI=1S/C4H5N.CH2O/c5-3-4-1-2-4;1-2/h1-5H;1H2/b5-3+;,102.66391999999999,64.61236,
9466,[N:1](=[C:2]1\[O:3][C:4]([H:9])([H:10])[C@@:5]2([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14])\[H:8],[N:1](=[C:2]1\[O:3][C:4]([H:9])([H:10])[C:5][C@:7]1([C:6]([H:11])([H:12])[H:13])[H:14])\[H:8],"InChI=1S/C5H7NO/c6-5-4-1-3(4)2-7-5/h3-4,6H,1-2H2/b6-5-/t3-,4-/m1/s1","InChI=1S/C5H7NO/c1-4-2-3-7-5(4)6/h4,6H,3H2,1H3/b6-5-/t4-/m1/s1",62.859880000000004,63.756009999999996,
9467,[N:1](=[C:2]1\[O:3][C:4]([H:9])([H:10])[C@@:5]2([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14])\[H:8],[H:10][H:14].[N-:1]([C:2]1=[C:7]2[C@@:5]([H:11])([C:4]([H:9])=[O+:3]1)[C:6]2([H:12])[H:13])[H:8],"InChI=1S/C5H7NO/c6-5-4-1-3(4)2-7-5/h3-4,6H,1-2H2/b6-5-/t3-,4-/m1/s1","InChI=1S/C5H5NO.H2/c6-5-4-1-3(4)2-7-5;/h2-3,6H,1H2;1H/t3-;/m1./s1",109.79605,77.71709,
9468,[N:1](=[C:2]1\[O:3][C:4]([H:9])([H:10])[C@@:5]2([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14])\[H:8],[N:1](=[C:2]1\[C:6]([H:12])([H:13])[O:3][C:4]([H:9])([H:10])[C:5]([H:11])=[C:7]1[H:14])\[H:8],"InChI=1S/C5H7NO/c6-5-4-1-3(4)2-7-5/h3-4,6H,1-2H2/b6-5-/t3-,4-/m1/s1","InChI=1S/C5H7NO/c6-5-2-1-3-7-4-5/h1-2,6H,3-4H2/b6-5-",97.95862,3.25488,
9469,[N:1](=[C:2]1\[O:3][C:4]([H:9])([H:10])[C@@:5]2([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14])\[H:8],[H:10][H:11].[N:1](=[C:2]1\[O:3][C:4]([H:9])=[C:5]2[C:6]([H:12])([H:13])[C@@:7]12[H:14])\[H:8],"InChI=1S/C5H7NO/c6-5-4-1-3(4)2-7-5/h3-4,6H,1-2H2/b6-5-/t3-,4-/m1/s1","InChI=1S/C5H5NO.H2/c6-5-4-1-3(4)2-7-5;/h2,4,6H,1H2;1H/b6-5-;/t4-;/m1./s1",109.5704,62.62545,
9470,[O:1]([C:2]1([C:3]([C:4](=[O:5])[H:11])([H:9])[H:10])[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])[H:8],[O:1]([C:2](=[C:3]([H:9])[H:10])[C:7]([C:6]([C:4](=[O:5])[H:11])([H:12])[H:13])([H:14])[H:15])[H:8],"InChI=1S/C5H8O2/c6-4-3-5(7)1-2-5/h4,7H,1-3H2","InChI=1S/C5H8O2/c1-5(7)3-2-4-6/h4,7H,1-3H2",45.75567,-7.76818,
9471,[O:1]([C:2]1([C:3]([C:4](=[O:5])[H:11])([H:9])[H:10])[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])[H:8],[O:1]([C@@:2]1([C:6]([H:12])([H:13])[H:14])[C:3]([H:9])([H:10])[C-:4]([H:11])[O+:5]=[C:7]1[H:15])[H:8],"InChI=1S/C5H8O2/c6-4-3-5(7)1-2-5/h4,7H,1-3H2","InChI=1S/C5H8O2/c1-5(6)2-3-7-4-5/h3-4,6H,2H2,1H3/t5-/m0/s1",66.18092,40.17785,
9472,[O:1]([C:2]1([C:3]([C:4](=[O:5])[H:11])([H:9])[H:10])[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])[H:8],[O:1]([C@@:2]12[C:3]([H:9])([H:10])[C@:4]([O:5][H:14])([H:11])[C@:7]1([H:15])[C:6]2([H:12])[H:13])[H:8],"InChI=1S/C5H8O2/c6-4-3-5(7)1-2-5/h4,7H,1-3H2","InChI=1S/C5H8O2/c6-4-2-5(7)1-3(4)5/h3-4,6-7H,1-2H2/t3-,4+,5-/m0/s1",85.6489,18.53059,
9473,[O:1]([C:2]1([C:3]([C:4](=[O:5])[H:11])([H:9])[H:10])[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])[H:8],[C:3](=[C:4]([O:5][H:12])[H:11])([H:9])[H:10].[O:1]([C:2]1=[C:6]([H:13])[C:7]1([H:14])[H:15])[H:8],"InChI=1S/C5H8O2/c6-4-3-5(7)1-2-5/h4,7H,1-3H2","InChI=1S/C3H4O.C2H4O/c4-3-1-2-3;1-2-3/h1,4H,2H2;2-3H,1H2",59.92402,50.74188,Retroene
9474,[O:1]([C:2]1([C:3]([C:4](=[O:5])[H:11])([H:9])[H:10])[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])[H:8],[C:2]1([C:3]([C:4](=[O:5])[H:11])([H:9])[H:10])=[C:7]([H:15])[C:6]1([H:12])[H:13].[O:1]([H:8])[H:14],"InChI=1S/C5H8O2/c6-4-3-5(7)1-2-5/h4,7H,1-3H2","InChI=1S/C5H6O.H2O/c6-4-3-5-1-2-5;/h1,4H,2-3H2;1H2",71.81314,39.00076,
9475,[O:1]([C:2]1([C:3]([C:4](=[O:5])[H:11])([H:9])[H:10])[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])[H:8],[O:1]1[C:2]2([C:3]([H:9])([H:10])[C@@:4]1([O:5][H:8])[H:11])[C:6]([H:12])([H:13])[C:7]2([H:14])[H:15],"InChI=1S/C5H8O2/c6-4-3-5(7)1-2-5/h4,7H,1-3H2","InChI=1S/C5H8O2/c6-4-3-5(7-4)1-2-5/h4,6H,1-3H2/t4-/m1/s1",48.33511,15.999789999999999,
9476,[O:1]([C:2]1([C:3]([C:4](=[O:5])[H:11])([H:9])[H:10])[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])[H:8],[C:3](=[C:4]([O:5][H:8])[H:11])([H:9])[H:10].[O:1]=[C:2]1[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15],"InChI=1S/C5H8O2/c6-4-3-5(7)1-2-5/h4,7H,1-3H2","InChI=1S/C3H4O.C2H4O/c4-3-1-2-3;1-2-3/h1-2H2;2-3H,1H2",32.54914,30.15076,Retroene
9477,[O:1]([C:2]1([C:3]([C:4](=[O:5])[H:11])([H:9])[H:10])[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])[H:8],[O:1]([C@:2]([C:3]([C:4](=[O:5])[H:11])([H:9])[H:10])([C:6]([H:12])([H:13])[H:15])[C:7][H:14])[H:8],"InChI=1S/C5H8O2/c6-4-3-5(7)1-2-5/h4,7H,1-3H2","InChI=1S/C5H8O2/c1-5(2,7)3-4-6/h1,4,7H,3H2,2H3/t5-/m0/s1",67.27864,73.17154000000001,
9478,[O:1]([C:2]1([C:3]([C:4](=[O:5])[H:11])([H:9])[H:10])[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])[H:8],[O:1](/[C:2]([C:3]([C:4](=[O:5])[H:11])([H:9])[H:10])=[C:6](/[C:7]([H:12])([H:14])[H:15])[H:13])[H:8],"InChI=1S/C5H8O2/c6-4-3-5(7)1-2-5/h4,7H,1-3H2","InChI=1S/C5H8O2/c1-2-5(7)3-4-6/h2,4,7H,3H2,1H3/b5-2+",66.37144,-11.60919,
9479,[O:1]([C:2]1([C:3]([C:4](=[O:5])[H:11])([H:9])[H:10])[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])[H:8],[O:1]([C:2](=[C:6]([H:12])[H:13])[C:7]([O:5][C:4](=[C:3]([H:9])[H:10])[H:11])([H:14])[H:15])[H:8],"InChI=1S/C5H8O2/c6-4-3-5(7)1-2-5/h4,7H,1-3H2","InChI=1S/C5H8O2/c1-3-7-4-5(2)6/h3,6H,1-2,4H2",64.39962,5.86291,
9480,[O:1]([C:2]1([C:3]([C:4](=[O:5])[H:11])([H:9])[H:10])[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])[H:8],[O:1]([C@:2]([C:3]([C:4]#[O+:5])([H:9])[H:10])([C:6]([C-:7]([H:14])[H:15])([H:12])[H:13])[H:11])[H:8],"InChI=1S/C5H8O2/c6-4-3-5(7)1-2-5/h4,7H,1-3H2","InChI=1S/C5H8O2/c1-2-5(7)3-4-6/h5,7H,1-3H2/t5-/m0/s1",88.67213000000001,51.7761,
9481,[O:1]([C:2]1([C:3]([C:4](=[O:5])[H:11])([H:9])[H:10])[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])[H:8],[C:2]1(=[C:3]([H:9])[H:10])[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15].[O:1]([C:4](=[O:5])[H:11])[H:8],"InChI=1S/C5H8O2/c6-4-3-5(7)1-2-5/h4,7H,1-3H2","InChI=1S/C4H6.CH2O2/c1-4-2-3-4;2-1-3/h1-3H2;1H,(H,2,3)",56.43731999999999,11.8306,
9482,[O:1]([C:2]1([C:3]([C:4](=[O:5])[H:11])([H:9])[H:10])[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])[H:8],[C:6](=[C:7]([H:14])[H:15])([H:12])[H:13].[O:1](/[C:2](=[C:3](\[C:4](=[O:5])[H:11])[H:9])[H:10])[H:8],"InChI=1S/C5H8O2/c6-4-3-5(7)1-2-5/h4,7H,1-3H2",InChI=1S/C3H4O2.C2H4/c4-2-1-3-5;1-2/h1-4H;1-2H2/b2-1-;,70.12034,-1.6815,
9483,[O:1]([C:2]1([C:3]([C:4](=[O:5])[H:11])([H:9])[H:10])[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])[H:8],[O:1]=[C:2]1[C:3]([H:9])([H:10])[C@@:4]([O:5][H:8])([H:11])[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15],"InChI=1S/C5H8O2/c6-4-3-5(7)1-2-5/h4,7H,1-3H2","InChI=1S/C5H8O2/c6-4-1-2-5(7)3-4/h4,6H,1-3H2/t4-/m1/s1",27.977590000000003,-22.76251,
9484,[O:1]([C:2]1([C:3]([C:4](=[O:5])[H:11])([H:9])[H:10])[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])[H:8],[O:1]([C:2]1([C:3]([O+:5]=[C-:4][H:11])([H:9])[H:10])[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])[H:8],"InChI=1S/C5H8O2/c6-4-3-5(7)1-2-5/h4,7H,1-3H2","InChI=1S/C5H8O2/c1-7-4-5(6)2-3-5/h1,6H,2-4H2",109.54444,64.94188,
9485,[O:1]([C:2]1([C:3]([C:4](=[O:5])[H:11])([H:9])[H:10])[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])[H:8],[O:1]([C:2]1(/[C:3](=[C:4](\[O:5][H:8])[H:11])[H:9])[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])[H:10],"InChI=1S/C5H8O2/c6-4-3-5(7)1-2-5/h4,7H,1-3H2","InChI=1S/C5H8O2/c6-4-3-5(7)1-2-5/h3-4,6-7H,1-2H2/b4-3-",48.82745,1.87179,ketoenol
9486,[O:1]([C:2]1([C:3]([C:4](=[O:5])[H:11])([H:9])[H:10])[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])[H:8],[O:1]([C:2]1([C:3]([C:4]([O:5][H:15])([H:11])[H:12])([H:9])[H:10])[C:6]([H:13])=[C:7]1[H:14])[H:8],"InChI=1S/C5H8O2/c6-4-3-5(7)1-2-5/h4,7H,1-3H2","InChI=1S/C5H8O2/c6-4-3-5(7)1-2-5/h1-2,6-7H,3-4H2",69.62101,33.74494,
9487,[O:1]([C:2]1([C:3]([C:4](=[O:5])[H:11])([H:9])[H:10])[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])[H:8],[C:6](=[C:7]([H:14])[H:15])([H:12])[H:13].[H:8][H:10].[O:1]=[C:2]=[C:3]([C:4](=[O:5])[H:11])[H:9],"InChI=1S/C5H8O2/c6-4-3-5(7)1-2-5/h4,7H,1-3H2",InChI=1S/C3H2O2.C2H4.H2/c4-2-1-3-5;1-2;/h1-2H;1-2H2;1H,72.95783,28.559759999999997,
9488,[O:1]([C:2]1([C:3]([C:4](=[O:5])[H:11])([H:9])[H:10])[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])[H:8],[C:3](=[C:4]=[O:5])([H:9])[H:11].[O:1]([C:2]1([H:10])[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])[H:8],"InChI=1S/C5H8O2/c6-4-3-5(7)1-2-5/h4,7H,1-3H2","InChI=1S/C3H6O.C2H2O/c4-3-1-2-3;1-2-3/h3-4H,1-2H2;1H2",77.65257,21.81399,
9489,[O:1]([C:2]1([C:3]([C:4](=[O:5])[H:11])([H:9])[H:10])[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])[H:8],[O:1](/[C:2](=[C:3](/[C:4](=[O:5])[H:11])[H:10])[C:6]([C:7]([H:9])([H:14])[H:15])([H:12])[H:13])[H:8],"InChI=1S/C5H8O2/c6-4-3-5(7)1-2-5/h4,7H,1-3H2","InChI=1S/C5H8O2/c1-2-5(7)3-4-6/h3-4,7H,2H2,1H3/b5-3+",58.48178000000001,-20.188129999999997,
9490,[O:1]([C:2]1([C:3]([C:4](=[O:5])[H:11])([H:9])[H:10])[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])[H:8],[C:6](=[C:7]([H:14])[H:15])([H:12])[H:13].[O:1]([C:2](=[C:3]([H:9])[H:10])[C:4](=[O:5])[H:11])[H:8],"InChI=1S/C5H8O2/c6-4-3-5(7)1-2-5/h4,7H,1-3H2","InChI=1S/C3H4O2.C2H4/c1-3(5)2-4;1-2/h2,5H,1H2;1-2H2",63.277530000000006,7.089160000000001,
9491,[O:1]([C:2]1([C:3]([C:4](=[O:5])[H:11])([H:9])[H:10])[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])[H:8],[O:1]([C:2][C:7]([C:6]([C:3]([C:4](=[O:5])[H:11])([H:9])[H:10])([H:12])[H:13])([H:14])[H:15])[H:8],"InChI=1S/C5H8O2/c6-4-3-5(7)1-2-5/h4,7H,1-3H2","InChI=1S/C5H8O2/c6-4-2-1-3-5-7/h4,7H,1-3H2",77.46448000000001,41.677609999999994,
9492,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]1[C:5]([C:6]#[N:7])([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([N+:4]1([C:5]([C:6]#[N:7])([H:14])[H:15])[C-:2]([H:11])[C:3]1([H:12])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5-4-7(5)3-2-6/h5H,3-4H2,1H3/t5-,7?/m0/s1","InChI=1S/C5H8N2/c1-7(3-2-6)4-5-7/h4H,3,5H2,1H3",101.32091,62.78623,
9493,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]1[C:5]([C:6]#[N:7])([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]1[N:7]=[C:6]=[C:5]([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5-4-7(5)3-2-6/h5H,3-4H2,1H3/t5-,7?/m0/s1","InChI=1S/C5H8N2/c1-3-6-7-4-5(7)2/h5H,1,4H2,2H3/t5-,7?/m0/s1",70.89213000000001,36.820170000000005,
9494,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]1[C:5]([C:6]#[N:7])([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]1[C:5]([N+:7]#[C-:6])([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5-4-7(5)3-2-6/h5H,3-4H2,1H3/t5-,7?/m0/s1","InChI=1S/C5H8N2/c1-5-3-7(5)4-6-2/h5H,3-4H2,1H3/t5-,7?/m0/s1",56.45794,24.421529999999997,
9495,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]1[C:5]([C:6]#[N:7])([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C@@:3]2([H:13])[N:4]1[C:5]([H:14])([H:15])[C:6][N:7]2[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5-4-7(5)3-2-6/h5H,3-4H2,1H3/t5-,7?/m0/s1","InChI=1S/C5H8N2/c1-4-5-6-2-3-7(4)5/h4-6H,3H2,1H3/t4-,5+,7?/m0/s1",70.72581,39.10378,
9496,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]1[C:5]([C:6]#[N:7])([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]([H:12])[H:13])[H:11])([H:8])([H:9])[H:10].[N:4](=[C:5]([H:14])[H:15])[C:6]#[N:7],"InChI=1S/C5H8N2/c1-5-4-7(5)3-2-6/h5H,3-4H2,1H3/t5-,7?/m0/s1","InChI=1S/C3H6.C2H2N2/c1-3-2;1-4-2-3/h3H,1H2,2H3;1H2",78.23222,6.23573,
9497,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]1[C:5]([C:6]#[N:7])([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([C:2]1=[N:4][C:3]1([H:12])[H:13])([H:8])([H:9])[H:10].[C:5](=[C:6]=[N:7][H:11])([H:14])[H:15],"InChI=1S/C5H8N2/c1-5-4-7(5)3-2-6/h5H,3-4H2,1H3/t5-,7?/m0/s1","InChI=1S/C3H5N.C2H3N/c1-3-2-4-3;1-2-3/h2H2,1H3;3H,1H2",50.63694,32.171479999999995,Retroene
9498,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]1[C:5]([C:6]#[N:7])([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([C:2](=[N+:4]([C-:3]([H:12])[H:13])[C:5]([C:6]#[N:7])([H:14])[H:15])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5-4-7(5)3-2-6/h5H,3-4H2,1H3/t5-,7?/m0/s1","InChI=1S/C5H8N2/c1-3-7(2)5-4-6/h3H,2,5H2,1H3",36.248870000000004,24.61893,
9499,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]1[C:5]([C:6]#[N:7])([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C-:3]([H:12])[N+:4]1([C:5]([C:6]#[N:7])([H:14])[H:15])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5-4-7(5)3-2-6/h5H,3-4H2,1H3/t5-,7?/m0/s1","InChI=1S/C5H8N2/c1-5-4-7(5)3-2-6/h4-5,7H,3H2,1H3/t5-/m0/s1",64.82053,53.88912,
9500,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]1[C:5]([C:6]#[N:7])([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:13])=[N+:4]1[C-:5]([C:6]#[N:7])[H:15])([H:8])([H:9])[H:10].[H:12][H:14],"InChI=1S/C5H8N2/c1-5-4-7(5)3-2-6/h5H,3-4H2,1H3/t5-,7?/m0/s1","InChI=1S/C5H6N2.H2/c1-5-4-7(5)3-2-6;/h3-5H,1H3;1H/t5-;/m0./s1",63.02455,53.80339,
9501,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]1[C:5]([C:6]#[N:7])([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]1[C:6]1=[N:7][C:5]1([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5-4-7(5)3-2-6/h5H,3-4H2,1H3/t5-,7?/m0/s1","InChI=1S/C5H8N2/c1-4-3-7(4)5-2-6-5/h4H,2-3H2,1H3/t4-,7?/m0/s1",80.92771,29.43045,
9502,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]1[C:5]([C:6]#[N:7])([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:13])=[N+:4]1[C-:5]([H:14])[H:15])([H:8])([H:9])[H:10].[C:6](#[N:7])[H:12],"InChI=1S/C5H8N2/c1-5-4-7(5)3-2-6/h5H,3-4H2,1H3/t5-,7?/m0/s1","InChI=1S/C4H7N.CHN/c1-4-3-5(4)2;1-2/h3-4H,2H2,1H3;1H/t4-;/m0./s1",58.54065,59.797740000000005,
9503,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]1[C:5]([C:6]#[N:7])([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:13])=[N:4]1)([H:8])([H:9])[H:10].[C:5](=[C:6]=[N:7][H:12])([H:14])[H:15],"InChI=1S/C5H8N2/c1-5-4-7(5)3-2-6/h5H,3-4H2,1H3/t5-,7?/m0/s1","InChI=1S/C3H5N.C2H3N/c1-3-2-4-3;1-2-3/h2-3H,1H3;3H,1H2/t3-;/m0./s1",51.61334,37.889590000000005,Retroene
9504,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]1[C:5]([C:6]#[N:7])([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([C:2]1=[N+:4]([C-:5]([H:14])[H:15])[C:3]1([H:12])[H:13])([H:8])([H:9])[H:10].[C:6](#[N:7])[H:11],"InChI=1S/C5H8N2/c1-5-4-7(5)3-2-6/h5H,3-4H2,1H3/t5-,7?/m0/s1","InChI=1S/C4H7N.CHN/c1-4-3-5(4)2;1-2/h2-3H2,1H3;1H",57.4482,60.13166,
9505,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]1[C:5]([C:6]#[N:7])([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]1[C:5](=[C:6]=[N:7][H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5-4-7(5)3-2-6/h5H,3-4H2,1H3/t5-,7?/m0/s1","InChI=1S/C5H8N2/c1-5-4-7(5)3-2-6/h3,5-6H,4H2,1H3/t5-,7?/m0/s1",85.13266999999999,18.977710000000002,
9506,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]1[C:5]([C:6]#[N:7])([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]([H:12])[H:13])[H:11])([H:8])([H:9])[H:10].[N:4](=[C:5]([H:14])[H:15])[C:6]#[N:7],"InChI=1S/C5H8N2/c1-5-4-7(5)3-2-6/h5H,3-4H2,1H3/t5-,7?/m0/s1","InChI=1S/C3H6.C2H2N2/c1-3-2;1-4-2-3/h3H,1H2,2H3;1H2",76.29768,6.243609999999999,
9507,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]1[C:5]([C:6]#[N:7])([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:6]([C:5]([N:4]=[C:3]([H:12])[H:13])([H:14])[H:15])=[N:7]1)([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5-4-7(5)3-2-6/h5H,3-4H2,1H3/t5-,7?/m0/s1","InChI=1S/C5H8N2/c1-4-5(7-4)3-6-2/h4H,2-3H2,1H3/t4-/m0/s1",59.76965,20.40035,
9508,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]1[C:5]([C:6]#[N:7])([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]([C:3]([C:6]#[N:7])([H:12])[H:13])([N:4]=[C:5]([H:14])[H:15])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5-4-7(5)3-2-6/h5H,3-4H2,1H3/t5-,7?/m0/s1","InChI=1S/C5H8N2/c1-5(7-2)3-4-6/h5H,2-3H2,1H3/t5-/m0/s1",69.14101,-19.31909,
9509,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]1[C:5]([C:6]#[N:7])([H:14])[H:15])([H:8])([H:9])[H:10],[C:1](/[C:2](=[N:4]/[C:3]([C:5]([C:6]#[N:7])([H:14])[H:15])([H:12])[H:13])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5-4-7(5)3-2-6/h5H,3-4H2,1H3/t5-,7?/m0/s1","InChI=1S/C5H8N2/c1-2-7-5-3-4-6/h2H,3,5H2,1H3/b7-2+",87.61658,-21.38449,
9510,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]1[C:5]([C:6]#[N:7])([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:14].[C:2]1([H:11])=[N+:4]([C-:5]([C:6]#[N:7])[H:15])[C:3]1([H:12])[H:13],"InChI=1S/C5H8N2/c1-5-4-7(5)3-2-6/h5H,3-4H2,1H3/t5-,7?/m0/s1","InChI=1S/C4H4N2.CH4/c5-1-2-6-3-4-6;/h2-3H,4H2;1H4",78.27798,45.38102,
9511,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]1[C:5]([C:6]#[N:7])([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([C-:2]1[C:3]([H:12])([H:13])[N+:4]1([C:5]([C:6]#[N:7])([H:14])[H:15])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5-4-7(5)3-2-6/h5H,3-4H2,1H3/t5-,7?/m0/s1","InChI=1S/C5H8N2/c1-5-4-7(5)3-2-6/h7H,3-4H2,1H3",71.57495,54.817080000000004,
9512,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]1[C:5]([C:6]#[N:7])([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([C+:2]([C:3]([N:4]([C:5](=[C:6]=[N-:7])[H:15])[H:14])([H:12])[H:13])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5-4-7(5)3-2-6/h5H,3-4H2,1H3/t5-,7?/m0/s1","InChI=1S/C5H8N2/c1-2-4-7-5-3-6/h2,5,7H,4H2,1H3",65.26048,20.75604,
9513,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]1[C:5]([C:6]#[N:7])([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]([N+:4]([C-:3]([H:12])[H:13])=[C:5]([H:14])[H:15])([C:6]#[N:7])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5-4-7(5)3-2-6/h5H,3-4H2,1H3/t5-,7?/m0/s1","InChI=1S/C5H8N2/c1-5(4-6)7(2)3/h5H,2-3H2,1H3/t5-/m1/s1",49.81269,23.33994,
9514,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]1[C:5]([C:6]#[N:7])([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[N:4]([C-:3]([H:12])[H:13])[C:5]([H:14])([H:15])[C:6]#[N+:7]1)([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5-4-7(5)3-2-6/h5H,3-4H2,1H3/t5-,7?/m0/s1","InChI=1S/C5H8N2/c1-5-6-3-4-7(5)2/h5H,2,4H2,1H3/t5-/m1/s1",49.83317,50.96481,
9515,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]1[C:5]([C:6]#[N:7])([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([C:2](=[N+:7]=[C-:6][C:5]([N:4]=[C:3]([H:12])[H:13])([H:14])[H:15])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5-4-7(5)3-2-6/h5H,3-4H2,1H3/t5-,7?/m0/s1","InChI=1S/C5H8N2/c1-3-7-5-4-6-2/h3H,2,4H2,1H3",50.359629999999996,25.38553,
9516,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]1[C:5]([C:6]#[N:7])([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([C:2]1=[N+:4]([C-:5]([C:6]#[N:7])[H:15])[C:3]1([H:12])[H:13])([H:8])([H:9])[H:10].[H:11][H:14],"InChI=1S/C5H8N2/c1-5-4-7(5)3-2-6/h5H,3-4H2,1H3/t5-,7?/m0/s1","InChI=1S/C5H6N2.H2/c1-5-4-7(5)3-2-6;/h3H,4H2,1H3;1H",61.57983,52.39745,
9517,[C:1]([c:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([C:6]([H:13])([H:14])[H:15])[n:7]1[H:16])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:3]([H:11])[C@@:4]([C:6]([H:13])([H:14])[H:15])([H:12])[C:5][N:7]1[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-5-3-4-6(2)7-5/h3-4,7H,1-2H3","InChI=1S/C6H9N/c1-5-3-6(2)7-4-5/h3,5,7H,1-2H3/t5-/m0/s1",77.02239,58.47554,
9518,[C:1]([c:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([C:6]([H:13])([H:14])[H:15])[n:7]1[H:16])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:3]([H:11])/[C:5](=[C:4](/[C:6]([H:13])([H:14])[H:15])[H:12])[N:7]1[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-5-3-4-6(2)7-5/h3-4,7H,1-2H3","InChI=1S/C6H9N/c1-3-6-4-5(2)7-6/h3-4,7H,1-2H3/b6-3-",168.28298,46.705870000000004,
9519,[C:1]([c:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([C:6]([H:13])([H:14])[H:15])[n:7]1[H:16])([H:8])([H:9])[H:10],[C:1](=[C:2]1[C:3]([H:8])([H:11])[C:4]([H:12])=[C:5]([C:6]([H:13])([H:14])[H:15])[N:7]1[H:16])([H:9])[H:10],"InChI=1S/C6H9N/c1-5-3-4-6(2)7-5/h3-4,7H,1-2H3","InChI=1S/C6H9N/c1-5-3-4-6(2)7-5/h4,7H,1,3H2,2H3",80.1664,19.90481,
9520,[C:1]([c:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([C:6]([H:13])([H:14])[H:15])[n:7]1[H:16])([H:8])([H:9])[H:10],[C:1]([C:2]1=[N:7][C@@:5]([C:6]([H:13])([H:14])[H:15])([H:16])[C:4]([H:12])=[C:3]1[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-5-3-4-6(2)7-5/h3-4,7H,1-2H3","InChI=1S/C6H9N/c1-5-3-4-6(2)7-5/h3-5H,1-2H3/t5-/m1/s1",43.67884,14.33409,
9521,[C:1]([c:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([C:6]([H:13])([H:14])[H:15])[n:7]1[H:16])([H:8])([H:9])[H:10],[C:1]([C+:2]1[C:3]([H:11])([H:12])[C-:4]=[C:5]([C:6]([H:13])([H:14])[H:15])[N:7]1[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-5-3-4-6(2)7-5/h3-4,7H,1-2H3","InChI=1S/C6H9N/c1-5-3-4-6(2)7-5/h7H,3H2,1-2H3",78.69973,77.52918000000001,
9522,[C:1]([c:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([C:6]([H:13])([H:14])[H:15])[n:7]1[H:16])([H:8])([H:9])[H:10],[C:1](=[C:2]1[C:3]([H:11])=[C:4]([H:12])[C@@:5]([C:6]([H:13])([H:14])[H:15])([H:8])[N:7]1[H:16])([H:9])[H:10],"InChI=1S/C6H9N/c1-5-3-4-6(2)7-5/h3-4,7H,1-2H3","InChI=1S/C6H9N/c1-5-3-4-6(2)7-5/h3-4,6-7H,1H2,2H3/t6-/m0/s1",83.50175,21.55414,Intra_ene_reaction
9523,[C:1]([c:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([C:6]([H:13])([H:14])[H:15])[n:7]1[H:16])([H:8])([H:9])[H:10],[C:1](=[c:2]1[c:3]([H:11])[c:4]([H:12])[c:5](=[C:6]([H:13])[H:15])[n:7]1[H:16])([H:9])[H:10].[H:8][H:14],"InChI=1S/C6H9N/c1-5-3-4-6(2)7-5/h3-4,7H,1-2H3","InChI=1S/C6H7N.H2/c1-5-3-4-6(2)7-5;/h3-4,7H,1-2H2;1H",120.49923999999999,38.052240000000005,
9524,[C:1]([c:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([C:6]([H:13])([H:14])[H:15])[n:7]1[H:16])([H:8])([H:9])[H:10],[C:1]([C:5]1([C:6]([H:13])([H:14])[H:15])[C+:4]([H:12])[C:3]([H:11])=[C-:2][N:7]1[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-5-3-4-6(2)7-5/h3-4,7H,1-2H3","InChI=1S/C6H9N/c1-6(2)4-3-5-7-6/h3-4,7H,1-2H3",143.70379,59.278690000000005,
9525,[C:1]([c:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([C:6]([H:13])([H:14])[H:15])[n:7]1[H:16])([H:8])([H:9])[H:10],[C:1](=[C:2]=[C:3](/[C:4](=[C:5](/[C:6]([H:13])([H:14])[H:15])[N:7]([H:8])[H:16])[H:12])[H:11])([H:9])[H:10],"InChI=1S/C6H9N/c1-5-3-4-6(2)7-5/h3-4,7H,1-2H3","InChI=1S/C6H9N/c1-3-4-5-6(2)7/h4-5H,1,7H2,2H3/b6-5-",85.90118000000001,36.56469,
9526,[C:1]([c:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([C:6]([H:13])([H:14])[H:15])[n:7]1[H:16])([H:8])([H:9])[H:10],[C:1]([C+:2]1[C:3]([H:11])=[C-:4][C@:5]([C:6]([H:13])([H:14])[H:15])([H:12])[N:7]1[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-5-3-4-6(2)7-5/h3-4,7H,1-2H3","InChI=1S/C6H9N/c1-5-3-4-6(2)7-5/h3,6-7H,1-2H3/t6-/m1/s1",70.90498000000001,67.64545,Singlet_Carbene_Intra_Disproportionation
9527,[C:1]([c:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([C:6]([H:13])([H:14])[H:15])[n:7]1[H:16])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]=[C:4](/[C:5]([C:6]([H:13])([H:14])[H:15])=[N:7]/[H:16])[H:12])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-5-3-4-6(2)7-5/h3-4,7H,1-2H3","InChI=1S/C6H9N/c1-3-4-5-6(2)7/h3,5,7H,1-2H3/b7-6+",70.99255,39.36946,
9528,[C:1]([c:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([C:6]([H:13])([H:14])[H:15])[n:7]1[H:16])([H:8])([H:9])[H:10],[C:1]([N+:7]1([H:16])[C-:2]=[C:3]([H:11])[C:4]([H:12])=[C:5]1[C:6]([H:13])([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-5-3-4-6(2)7-5/h3-4,7H,1-2H3","InChI=1S/C6H9N/c1-6-4-3-5-7(6)2/h3-4,7H,1-2H3",103.9492,85.25401,
9529,[C:1]([c:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([C:6]([H:13])([H:14])[H:15])[n:7]1[H:16])([H:8])([H:9])[H:10],[C:1]([C-:2]1[C:3]([H:11])=[C:4]([H:12])[C:5](=[C:6]([H:13])[H:15])[N+:7]1([H:14])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-5-3-4-6(2)7-5/h3-4,7H,1-2H3","InChI=1S/C6H9N/c1-5-3-4-6(2)7-5/h3-4H,1,7H2,2H3",92.21435,66.7371,
9530,[C:1]([c:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([C:6]([H:13])([H:14])[H:15])[n:7]1[H:16])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:3]([H:11])[C:4]([H:12])([H:16])[C:5]([C:6]([H:13])([H:14])[H:15])=[N:7]1)([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-5-3-4-6(2)7-5/h3-4,7H,1-2H3","InChI=1S/C6H9N/c1-5-3-4-6(2)7-5/h3H,4H2,1-2H3",43.71463,12.90671,
9531,[N:1](=[C:2](\[O:3][C:4](=[O:5])[H:9])[C:6](=[O:7])[H:10])\[H:8],[N:1]#[C:2][C:6](=[O:7])[H:10].[O:3]=[C:4]([O:5][H:8])[H:9],"InChI=1S/C3H3NO3/c4-3(1-5)7-2-6/h1-2,4H/b4-3-","InChI=1S/C2HNO.CH2O2/c3-1-2-4;2-1-3/h2H;1H,(H,2,3)",19.46292,6.95507,Retroene
9532,[N:1](=[C:2](\[O:3][C:4](=[O:5])[H:9])[C:6](=[O:7])[H:10])\[H:8],[N:1]1([H:8])[O:5][C@:4]2([H:9])[O+:3]=[C-:2][C@@:6]1([H:10])[O:7]2,"InChI=1S/C3H3NO3/c4-3(1-5)7-2-6/h1-2,4H/b4-3-","InChI=1S/C3H3NO3/c1-2-4-7-3(5-1)6-2/h2-4H/t2-,3-/m1/s1",118.37411999999999,102.21098,
9533,[N:1](=[C:2](\[O:3][C:4](=[O:5])[H:9])[C:6](=[O:7])[H:10])\[H:8],[N:1](=[C:2](/[C:6](=[O:7])[H:10])[H:9])\[H:8].[O:3]=[C:4]=[O:5],"InChI=1S/C3H3NO3/c4-3(1-5)7-2-6/h1-2,4H/b4-3-",InChI=1S/C2H3NO.CO2/c3-1-2-4;2-1-3/h1-3H;/b3-1+;,46.47885,-15.621870000000001,"1,3_Insertion_CO2"
9534,[N:1](=[C:2](\[O:3][C:4](=[O:5])[H:9])[C:6](=[O:7])[H:10])\[H:8],[C:6](=[O:7])([H:8])[H:10].[N:1]#[C:2][O:3][C:4](=[O:5])[H:9],"InChI=1S/C3H3NO3/c4-3(1-5)7-2-6/h1-2,4H/b4-3-",InChI=1S/C2HNO2.CH2O/c3-1-5-2-4;1-2/h2H;1H2,76.36703,30.82825,
9535,[N:1](=[C:2](\[O:3][C:4](=[O:5])[H:9])[C:6](=[O:7])[H:10])\[H:8],[N:1](=[C:2])[H:8].[O:3]=[C:4]([O:5][C:6](=[O:7])[H:10])[H:9],"InChI=1S/C3H3NO3/c4-3(1-5)7-2-6/h1-2,4H/b4-3-",InChI=1S/C2H2O3.CHN/c3-1-5-2-4;1-2/h1-2H;2H,36.275529999999996,25.45113,
9536,[N:1](=[C:2](\[O:3][C:4](=[O:5])[H:9])[C:6](=[O:7])[H:10])\[H:8],[C-:6]#[O+:7].[N:1]([C-:2]=[O+:3][C:4](=[O:5])[H:9])([H:8])[H:10],"InChI=1S/C3H3NO3/c4-3(1-5)7-2-6/h1-2,4H/b4-3-","InChI=1S/C2H3NO2.CO/c3-1-5-2-4;1-2/h2H,3H2;",48.379709999999996,25.380860000000002,
9537,[N:1](=[C:2](\[O:3][C:4](=[O:5])[H:9])[C:6](=[O:7])[H:10])\[H:8],[N:1](=[C:2]=[C:6]([O:7])[H:10])[H:8].[O:3]=[C:4]([O:5])[H:9],"InChI=1S/C3H3NO3/c4-3(1-5)7-2-6/h1-2,4H/b4-3-",InChI=1S/C2H2NO.CHO2/c3-1-2-4;2-1-3/h2-3H;1H,56.40436999999999,75.62393,
9538,[N:1](=[C:2](\[O:3][C:4](=[O:5])[H:9])[C:6](=[O:7])[H:10])\[H:8],[C:4](=[O:5])([C:6](=[O:7])[H:10])[H:9].[N:1](=[C:2]=[O:3])[H:8],"InChI=1S/C3H3NO3/c4-3(1-5)7-2-6/h1-2,4H/b4-3-",InChI=1S/C2H2O2.CHNO/c3-1-2-4;2-1-3/h1-2H;2H,55.00606,4.93356,
9539,[N:1](=[C:2](\[O:3][C:4](=[O:5])[H:9])[C:6](=[O:7])[H:10])\[H:8],[N:1]([C-:2]=[O+:3][C:4](=[O:5])[H:9])([C:6](=[O:7])[H:10])[H:8],"InChI=1S/C3H3NO3/c4-3(1-5)7-2-6/h1-2,4H/b4-3-","InChI=1S/C3H3NO3/c5-1-4-2-7-3-6/h1,3H,(H,4,5)",48.32116,25.84044,
9540,[N:1](=[C:2](\[O:3][C:4](=[O:5])[H:9])[C:6](=[O:7])[H:10])\[H:8],[N:1]#[C:2][C@:6]([O:5][C:4](=[O:3])[H:9])([O:7][H:8])[H:10],"InChI=1S/C3H3NO3/c4-3(1-5)7-2-6/h1-2,4H/b4-3-","InChI=1S/C3H3NO3/c4-1-3(6)7-2-5/h2-3,6H/t3-/m0/s1",45.52158,-3.28588,
9541,[N:1](=[C:2](\[O:3][C:4](=[O:5])[H:9])[C:6](=[O:7])[H:10])\[H:8],[N:1](=[C:2]1\[O:3][C@:4]2([H:9])[O:5][C@@:6]1([H:10])[O:7]2)\[H:8],"InChI=1S/C3H3NO3/c4-3(1-5)7-2-6/h1-2,4H/b4-3-","InChI=1S/C3H3NO3/c4-1-2-6-3(5-1)7-2/h2-4H/b4-1-/t2-,3+",56.1056,41.14649,
9542,[N:1](=[C:2](\[O:3][C:4](=[O:5])[H:9])[C:6](=[O:7])[H:10])\[H:8],[N:1](=[C:2](\[O:3][C:4](=[O:5])[H:9])[O+:7]=[C-:6][H:10])\[H:8],"InChI=1S/C3H3NO3/c4-3(1-5)7-2-6/h1-2,4H/b4-3-","InChI=1S/C3H3NO3/c1-6-3(4)7-2-5/h1-2,4H/b4-3-",81.79165,70.85174,
9543,[N:1](=[C:2](\[O:3][C:4](=[O:5])[H:9])[C:6](=[O:7])[H:10])\[H:8],[N:1]1([H:8])[C:2](=[O:3])[C@:6]1([O:7][C:4](=[O:5])[H:9])[H:10],"InChI=1S/C3H3NO3/c4-3(1-5)7-2-6/h1-2,4H/b4-3-","InChI=1S/C3H3NO3/c5-1-7-3-2(6)4-3/h1,3H,(H,4,6)/t3-/m1/s1",35.07135,22.21777,
9544,[N:1](=[C:2](\[O:3][C:4](=[O:5])[H:9])[C:6](=[O:7])[H:10])\[H:8],[N:1](=[C:2](\[O+:3]=[C-:4][O:5][H:9])[C:6](=[O:7])[H:10])\[H:8],"InChI=1S/C3H3NO3/c4-3(1-5)7-2-6/h1-2,4H/b4-3-","InChI=1S/C3H3NO3/c4-3(1-5)7-2-6/h1,4,6H/b4-3-",76.39043000000001,43.90159,
9545,[N:1](=[C:2](\[O:3][C:4](=[O:5])[H:9])[C:6](=[O:7])[H:10])\[H:8],[N:1](=[C:6](/[C:2]([O:3][C:4](=[O:5])[H:9])=[O:7])[H:10])\[H:8],"InChI=1S/C3H3NO3/c4-3(1-5)7-2-6/h1-2,4H/b4-3-","InChI=1S/C3H3NO3/c4-1-3(6)7-2-5/h1-2,4H/b4-1+",76.14596,-3.95745,
9546,[N:1](=[C:2](\[O:3][C:4](=[O:5])[H:9])[C:6](=[O:7])[H:10])\[H:8],[N:1](=[C:2]1\[O:3][C:4](=[O:5])[O:7][C:6]1([H:9])[H:10])\[H:8],"InChI=1S/C3H3NO3/c4-3(1-5)7-2-6/h1-2,4H/b4-3-","InChI=1S/C3H3NO3/c4-2-1-6-3(5)7-2/h4H,1H2/b4-2-",66.44646,-20.25872,
9547,[N:1](=[C:2](\[O:3][C:4](=[O:5])[H:9])[C:6](=[O:7])[H:10])\[H:8],[N:1](=[C:2](\[O:3][C:4](=[O:5])[H:9])[C:6][O:7][H:10])\[H:8],"InChI=1S/C3H3NO3/c4-3(1-5)7-2-6/h1-2,4H/b4-3-","InChI=1S/C3H3NO3/c4-3(1-5)7-2-6/h2,4-5H/b4-3-",83.10473,51.89852,
9548,[N:1](=[C:2](\[O:3][C:4](=[O:5])[H:9])[C:6](=[O:7])[H:10])\[H:8],[C-:4]#[O+:5].[N-:1]([C+:2]([O-:3])[C+:6]([O:7][H:9])[H:10])[H:8],"InChI=1S/C3H3NO3/c4-3(1-5)7-2-6/h1-2,4H/b4-3-","InChI=1S/C2H3NO2.CO/c3-2(5)1-4;1-2/h1,3-4H;",30.034540000000003,1.6287,
9549,[N:1](=[C:2](\[O:3][C:4](=[O:5])[H:9])[C:6](=[O:7])[H:10])\[H:8],[C-:4]#[O+:5].[N:1]([C:2](=[O:3])[C:6](=[O:7])[H:10])([H:8])[H:9],"InChI=1S/C3H3NO3/c4-3(1-5)7-2-6/h1-2,4H/b4-3-","InChI=1S/C2H3NO2.CO/c3-2(5)1-4;1-2/h1H,(H2,3,5);",42.723,-6.48877,
9550,[N:1](=[C:2](\[O:3][C:4](=[O:5])[H:9])[C:6](=[O:7])[H:10])\[H:8],[C-:6]#[O+:7].[C:4](=[O:5])([H:9])[H:10].[N:1](=[C:2]=[O:3])[H:8],"InChI=1S/C3H3NO3/c4-3(1-5)7-2-6/h1-2,4H/b4-3-",InChI=1S/CHNO.CH2O.CO/c2-1-3;2*1-2/h2H;1H2;,40.41956,4.14911,
9551,[N:1](=[C:2](\[O:3][C:4](=[O:5])[H:9])[C:6](=[O:7])[H:10])\[H:8],[N:1]([C:2](=[O:3])[C:6](=[O:7])[H:10])([C:4](=[O:5])[H:9])[H:8],"InChI=1S/C3H3NO3/c4-3(1-5)7-2-6/h1-2,4H/b4-3-","InChI=1S/C3H3NO3/c5-1-3(7)4-2-6/h1-2H,(H,4,6,7)",22.368270000000003,-5.74596,ketoenol
9552,[N:1](=[C:2](\[O:3][C:4](=[O:5])[H:9])[C:6](=[O:7])[H:10])\[H:8],[N:1]([C+:2]([C:4](=[O:3])[H:9])[C:6](=[O:7])[H:10])([O-:5])[H:8],"InChI=1S/C3H3NO3/c4-3(1-5)7-2-6/h1-2,4H/b4-3-","InChI=1S/C3H3NO3/c5-1-3(2-6)4-7/h1-2,4H",79.91184,46.723079999999996,
9553,[N:1](=[C:2](\[O:3][C:4](=[O:5])[H:9])[C:6](=[O:7])[H:10])\[H:8],[N:1]1([H:8])[C@@:2]2([O:3][C:4](=[O:5])[H:9])[C@:6]1([H:10])[O:7]2,"InChI=1S/C3H3NO3/c4-3(1-5)7-2-6/h1-2,4H/b4-3-","InChI=1S/C3H3NO3/c5-1-6-3-2(4-3)7-3/h1-2,4H/t2-,3+/m0/s1",76.14809,75.02606999999999,
9554,[N:1](=[C:2](\[O:3][C:4](=[O:5])[H:9])[C:6](=[O:7])[H:10])\[H:8],[n:1]1([H:8])[c:2]([O:3][C:4](=[O:5])[H:9])[c:6]([H:10])[o:7]1,"InChI=1S/C3H3NO3/c4-3(1-5)7-2-6/h1-2,4H/b4-3-","InChI=1S/C3H3NO3/c5-2-6-3-1-7-4-3/h1-2,4H",78.38643,68.11135999999999,
9555,[N:1](=[C:2](\[O:3][C:4](=[O:5])[H:9])[C:6](=[O:7])[H:10])\[H:8],[H:8][H:9].[N:1]#[C:2][C:6](=[O:7])[H:10].[O:3]=[C:4]=[O:5],"InChI=1S/C3H3NO3/c4-3(1-5)7-2-6/h1-2,4H/b4-3-",InChI=1S/C2HNO.CO2.H2/c3-1-2-4;2-1-3;/h2H;;1H,44.84516,4.74388,
9556,[N:1](=[C:2](\[O:3][C:4](=[O:5])[H:9])[C:6](=[O:7])[H:10])\[H:8],[C:4](=[O:5])([O+:7]=[C-:6][H:10])[H:9].[N:1](=[C:2]=[O:3])[H:8],"InChI=1S/C3H3NO3/c4-3(1-5)7-2-6/h1-2,4H/b4-3-",InChI=1S/C2H2O2.CHNO/c1-4-2-3;2-1-3/h1-2H;2H,59.892509999999994,63.168380000000006,
9557,[N:1](=[C:2](\[O:3][C:4](=[O:5])[H:9])[C:6](=[O:7])[H:10])\[H:8],[N:1]1([H:8])[C@@:2]([O+:5]=[C-:4][H:9])([C:6](=[O:7])[H:10])[O:3]1,"InChI=1S/C3H3NO3/c4-3(1-5)7-2-6/h1-2,4H/b4-3-","InChI=1S/C3H3NO3/c1-6-3(2-5)4-7-3/h1-2,4H/t3-/m1/s1",129.81278,129.9521,
9558,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]1=[O:7])([H:9])[H:10])[H:8],[C:5](=[C:6]=[O:7])([H:14])[H:15].[O:1]([C:2]([C:3](=[C:4]([H:12])[H:13])[H:11])([H:9])[H:10])[H:8],"InChI=1S/C5H8O2/c6-3-4-1-2-5(4)7/h4,6H,1-3H2/t4-/m1/s1","InChI=1S/C3H6O.C2H2O/c1-2-3-4;1-2-3/h2,4H,1,3H2;1H2",41.83571,21.08993,
9559,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]1=[O:7])([H:9])[H:10])[H:8],[C:4](=[C:5]([H:14])[H:15])([H:12])[H:13].[O:1]([C:2]([C:3](=[C:6]=[O:7])[H:11])([H:9])[H:10])[H:8],"InChI=1S/C5H8O2/c6-3-4-1-2-5(4)7/h4,6H,1-3H2/t4-/m1/s1","InChI=1S/C3H4O2.C2H4/c4-2-1-3-5;1-2/h1,4H,2H2;1-2H2",40.858709999999995,21.64633,
9560,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]1=[O:7])([H:9])[H:10])[H:8],[H:9][H:14].[O:1](/[C:2](=[C:3](/[C:4]([C:5](=[C:6]=[O:7])[H:15])([H:12])[H:13])[H:11])[H:10])[H:8],"InChI=1S/C5H8O2/c6-3-4-1-2-5(4)7/h4,6H,1-3H2/t4-/m1/s1","InChI=1S/C5H6O2.H2/c6-4-2-1-3-5-7;/h2-4,6H,1H2;1H/b4-2+;",71.98406999999999,24.33446,
9561,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]1=[O:7])([H:9])[H:10])[H:8],[O:1]1[C:2]([H:9])([H:10])[C@@:3]2([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@@:6]12[O:7][H:8],"InChI=1S/C5H8O2/c6-3-4-1-2-5(4)7/h4,6H,1-3H2/t4-/m1/s1","InChI=1S/C5H8O2/c6-5-2-1-4(5)3-7-5/h4,6H,1-3H2/t4-,5-/m1/s1",46.33592,16.06263,
9562,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]1=[O:7])([H:9])[H:10])[H:8],[C:3]1([H:11])=[C:4]([H:12])[C:5]([H:14])([H:15])[C:6]1=[O:7].[H:8][H:13].[O:1]=[C:2]([H:9])[H:10],"InChI=1S/C5H8O2/c6-3-4-1-2-5(4)7/h4,6H,1-3H2/t4-/m1/s1","InChI=1S/C4H4O.CH2O.H2/c5-4-2-1-3-4;1-2;/h1-2H,3H2;1H2;1H",60.849309999999996,48.201440000000005,
9563,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]1=[O:7])([H:9])[H:10])[H:8],[O:1]([C:2]([C@@:3]([C:4]([H:12])([H:13])[H:14])([C:6](=[C+:5][H:15])[O-:7])[H:11])([H:9])[H:10])[H:8],"InChI=1S/C5H8O2/c6-3-4-1-2-5(4)7/h4,6H,1-3H2/t4-/m1/s1","InChI=1S/C5H8O2/c1-4(3-6)5(2)7/h2,4,6H,3H2,1H3/t4-/m1/s1",66.16501,64.75103,
9564,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]1=[O:7])([H:9])[H:10])[H:8],[O:1]([C:2]([C:3][C:4]([C:5]([C:6](=[O:7])[H:11])([H:14])[H:15])([H:12])[H:13])([H:9])[H:10])[H:8],"InChI=1S/C5H8O2/c6-3-4-1-2-5(4)7/h4,6H,1-3H2/t4-/m1/s1","InChI=1S/C5H8O2/c6-4-2-1-3-5-7/h4,7H,1-2,5H2",70.07800999999999,73.02472,
9565,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]1=[O:7])([H:9])[H:10])[H:8],[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:15])=[C:6]1[O:7][H:14])([H:9])[H:10])[H:8],"InChI=1S/C5H8O2/c6-3-4-1-2-5(4)7/h4,6H,1-3H2/t4-/m1/s1","InChI=1S/C5H8O2/c6-3-4-1-2-5(4)7/h2,4,6-7H,1,3H2/t4-/m1/s1",76.04874000000001,13.035260000000001,ketoenol
9566,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]1=[O:7])([H:9])[H:10])[H:8],[O:1](/[C:2](=[C:3](\[C:4]([C:5]([C:6](=[O:7])[H:10])([H:14])[H:15])([H:12])[H:13])[H:11])[H:9])[H:8],"InChI=1S/C5H8O2/c6-3-4-1-2-5(4)7/h4,6H,1-3H2/t4-/m1/s1","InChI=1S/C5H8O2/c6-4-2-1-3-5-7/h2,4-6H,1,3H2/b4-2-",55.4047,-2.60257,
9567,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]1=[O:7])([H:9])[H:10])[H:8],[O:1]([C:2]([C:3]([C:6]([C:5]([C:4][H:12])([H:14])[H:15])=[O:7])([H:11])[H:13])([H:9])[H:10])[H:8],"InChI=1S/C5H8O2/c6-3-4-1-2-5(4)7/h4,6H,1-3H2/t4-/m1/s1","InChI=1S/C5H8O2/c1-2-5(7)3-4-6/h1,6H,2-4H2",77.1604,80.47035,
9568,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]1=[O:7])([H:9])[H:10])[H:8],[O:1]([C:2]([C@@:3]([C:4]([C:5][H:14])([H:12])[H:13])([C:6](=[O:7])[H:15])[H:11])([H:9])[H:10])[H:8],"InChI=1S/C5H8O2/c6-3-4-1-2-5(4)7/h4,6H,1-3H2/t4-/m1/s1","InChI=1S/C5H8O2/c1-2-5(3-6)4-7/h1,3,5,7H,2,4H2/t5-/m0/s1",78.88922,84.98801999999999,
9569,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]1=[O:7])([H:9])[H:10])[H:8],[O:1]([C:6]([C:5]([C:4]([C:3](=[C:2]([H:9])[H:10])[H:11])([H:12])[H:13])([H:14])[H:15])=[O:7])[H:8],"InChI=1S/C5H8O2/c6-3-4-1-2-5(4)7/h4,6H,1-3H2/t4-/m1/s1","InChI=1S/C5H8O2/c1-2-3-4-5(6)7/h2H,1,3-4H2,(H,6,7)",41.39803,-25.279239999999998,
9570,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]1=[O:7])([H:9])[H:10])[H:8],[C:4]1([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]1=[O:7].[O:1]([C:2](=[C:3]([H:9])[H:11])[H:10])[H:8],"InChI=1S/C5H8O2/c6-3-4-1-2-5(4)7/h4,6H,1-3H2/t4-/m1/s1","InChI=1S/C3H4O.C2H4O/c4-3-1-2-3;1-2-3/h1-2H2;2-3H,1H2",80.08645,35.40895,
9571,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]1=[O:7])([H:9])[H:10])[H:8],[O:1]([C:2]([C:3]([C:4]([C:5](=[C:6]=[O:7])[H:15])([H:12])[H:13])([H:11])[H:14])([H:9])[H:10])[H:8],"InChI=1S/C5H8O2/c6-3-4-1-2-5(4)7/h4,6H,1-3H2/t4-/m1/s1","InChI=1S/C5H8O2/c6-4-2-1-3-5-7/h2,7H,1,3,5H2",69.18425,-0.13507,
9572,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]1=[O:7])([H:9])[H:10])[H:8],[O:1]([C:2]([O:7][C:6]1=[C:3]([H:11])[C:4]([H:12])([H:13])[C:5]1([H:14])[H:15])([H:9])[H:10])[H:8],"InChI=1S/C5H8O2/c6-3-4-1-2-5(4)7/h4,6H,1-3H2/t4-/m1/s1","InChI=1S/C5H8O2/c6-4-7-5-2-1-3-5/h2,6H,1,3-4H2",67.50220999999999,16.90729,ketoenol
9573,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]1=[O:7])([H:9])[H:10])[H:8],[O:1]([C:2]([C:3]([C:4]([C:5]([H:11])([H:14])[H:15])([H:12])[H:13])=[C:6]=[O:7])([H:9])[H:10])[H:8],"InChI=1S/C5H8O2/c6-3-4-1-2-5(4)7/h4,6H,1-3H2/t4-/m1/s1","InChI=1S/C5H8O2/c1-2-5(3-6)4-7/h6H,2-3H2,1H3",64.86115,-0.93166,
9574,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]1=[O:7])([H:9])[H:10])[H:8],[O:1]([C@:3]1([H:11])[C:2]([H:9])([H:10])[C:6](=[O:7])[C:5]([H:14])([H:15])[C:4]1([H:12])[H:13])[H:8],"InChI=1S/C5H8O2/c6-3-4-1-2-5(4)7/h4,6H,1-3H2/t4-/m1/s1","InChI=1S/C5H8O2/c6-4-1-2-5(7)3-4/h4,6H,1-3H2/t4-/m0/s1",71.70405,-20.17514,
9575,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]1=[O:7])([H:9])[H:10])[H:8],[O:1]([C:4]([C:5]([C:6]([C:3](=[C:2]([H:9])[H:10])[H:11])=[O:7])([H:14])[H:15])([H:12])[H:13])[H:8],"InChI=1S/C5H8O2/c6-3-4-1-2-5(4)7/h4,6H,1-3H2/t4-/m1/s1","InChI=1S/C5H8O2/c1-2-5(7)3-4-6/h2,6H,1,3-4H2",71.69943,-3.13361,
9576,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]1=[O:7])([H:9])[H:10])[H:8],[O:1]([C:2]([C+:3]=[C:6]([C:5]([C:4]([H:11])([H:12])[H:13])([H:14])[H:15])[O-:7])([H:9])[H:10])[H:8],"InChI=1S/C5H8O2/c6-3-4-1-2-5(4)7/h4,6H,1-3H2/t4-/m1/s1","InChI=1S/C5H8O2/c1-2-5(7)3-4-6/h6H,2,4H2,1H3",59.827119999999994,57.064769999999996,
9577,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]1=[O:7])([H:9])[H:10])[H:8],[C:2]1([H:9])=[C:3]([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]1=[O:7].[O:1]([H:8])[H:10],"InChI=1S/C5H8O2/c6-3-4-1-2-5(4)7/h4,6H,1-3H2/t4-/m1/s1","InChI=1S/C5H6O.H2O/c6-5-3-1-2-4-5;/h1,3H,2,4H2;1H2",73.98262,-14.341779999999998,
9578,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]1=[O:7])([H:9])[H:10])[H:8],[O:1]([C:2]([C:3]1=[C:6]([O:7][H:11])[C:5]([H:14])([H:15])[C:4]1([H:12])[H:13])([H:9])[H:10])[H:8],"InChI=1S/C5H8O2/c6-3-4-1-2-5(4)7/h4,6H,1-3H2/t4-/m1/s1","InChI=1S/C5H8O2/c6-3-4-1-2-5(4)7/h6-7H,1-3H2",76.90435,12.36325,ketoenol
9579,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]1=[O:7])([H:9])[H:10])[H:8],[H:12][H:15].[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:13])=[C:5]([H:14])[C:6]1=[O:7])([H:9])[H:10])[H:8],"InChI=1S/C5H8O2/c6-3-4-1-2-5(4)7/h4,6H,1-3H2/t4-/m1/s1","InChI=1S/C5H6O2.H2/c6-3-4-1-2-5(4)7;/h1-2,4,6H,3H2;1H/t4-;/m1./s1",92.32015,32.1501,
9580,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]1=[O:7])([H:9])[H:10])[H:8],[C:2](=[C:3]([C@:4]1([H:13])[C:5]([H:14])([H:15])[C:6]1=[O:7])[H:11])([H:9])[H:10].[O:1]([H:8])[H:12],"InChI=1S/C5H8O2/c6-3-4-1-2-5(4)7/h4,6H,1-3H2/t4-/m1/s1","InChI=1S/C5H6O.H2O/c1-2-4-3-5(4)6;/h2,4H,1,3H2;1H2/t4-;/m1./s1",85.65342,27.66615,
9581,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]1=[O:7])([H:9])[H:10])[H:8],[C-:6]#[O+:7].[O:1]([C:2](/[C:3](=[C:4](/[C:5]([H:13])([H:14])[H:15])[H:12])[H:11])([H:9])[H:10])[H:8],"InChI=1S/C5H8O2/c6-3-4-1-2-5(4)7/h4,6H,1-3H2/t4-/m1/s1","InChI=1S/C4H8O.CO/c1-2-3-4-5;1-2/h2-3,5H,4H2,1H3;/b3-2+;",76.97951,1.2104,
9582,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]1=[O:7])([H:9])[H:10])[H:8],[C:3]1(=[C:6]=[O:7])[C:4]([H:12])([H:13])[C:5]1([H:14])[H:15].[O:1]([C:2]([H:9])([H:10])[H:11])[H:8],"InChI=1S/C5H8O2/c6-3-4-1-2-5(4)7/h4,6H,1-3H2/t4-/m1/s1","InChI=1S/C4H4O.CH4O/c5-3-4-1-2-4;1-2/h1-2H2;2H,1H3",71.63086,34.37406,
9583,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]1=[O:7])([H:9])[H:10])[H:8],[C:2](=[C:3]([C:4]([C:5](=[C:6]=[O:7])[H:15])([H:12])[H:13])[H:11])([H:9])[H:10].[O:1]([H:8])[H:14],"InChI=1S/C5H8O2/c6-3-4-1-2-5(4)7/h4,6H,1-3H2/t4-/m1/s1","InChI=1S/C5H6O.H2O/c1-2-3-4-5-6;/h2,4H,1,3H2;1H2",53.84271999999999,10.40216,
9584,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]1=[O:7])([H:9])[H:10])[H:8],[C:2](=[C:3]1[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]1=[O:7])([H:9])[H:10].[O:1]([H:8])[H:11],"InChI=1S/C5H8O2/c6-3-4-1-2-5(4)7/h4,6H,1-3H2/t4-/m1/s1",InChI=1S/C5H6O.H2O/c1-4-2-3-5(4)6;/h1-3H2;1H2,49.94495,7.302110000000001,"1,3_Insertion_ROR"
9585,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]1=[O:7])([H:9])[H:10])[H:8],[H:9][H:12].[O:1](/[C:2](=[C:3](\[C@:4]1([H:13])[C:5]([H:14])([H:15])[C:6]1=[O:7])[H:11])[H:10])[H:8],"InChI=1S/C5H8O2/c6-3-4-1-2-5(4)7/h4,6H,1-3H2/t4-/m1/s1","InChI=1S/C5H6O2.H2/c6-2-1-4-3-5(4)7;/h1-2,4,6H,3H2;1H/b2-1-;/t4-;/m1./s1",93.33045,41.06603,
9586,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]1=[O:7])([H:9])[H:10])[H:8],[O:1]([C:2]([C@@:3]1([H:11])[C@:6]([C:5](=[C:4]([H:12])[H:13])[H:14])([H:15])[O:7]1)([H:9])[H:10])[H:8],"InChI=1S/C5H8O2/c6-3-4-1-2-5(4)7/h4,6H,1-3H2/t4-/m1/s1","InChI=1S/C5H8O2/c1-2-4-5(3-6)7-4/h2,4-6H,1,3H2/t4-,5+/m1/s1",90.86739,25.80463,
9587,[C:1]([n:2]1[c:3]([H:11])[n:4][c:5]([C:6]([H:12])([H:13])[H:14])[c:7]1[H:15])([H:8])([H:9])[H:10],[C-:1]([n+:2]1[c:3]([H:11])[n:4]([H:10])[c:5]([C:6]([H:12])([H:13])[H:14])[c:7]1[H:15])([H:8])[H:9],"InChI=1S/C5H8N2/c1-5-3-7(2)4-6-5/h3-4H,1-2H3","InChI=1S/C5H8N2/c1-5-3-7(2)4-6-5/h3-4,6H,2H2,1H3",114.91453,51.59988,
9588,[C:1]([n:2]1[c:3]([H:11])[n:4][c:5]([C:6]([H:12])([H:13])[H:14])[c:7]1[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:7]1([H:15])[N:2]=[C:3]([H:11])[N:4]=[C:5]1[C:6]([H:12])([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5-3-7(2)4-6-5/h3-4H,1-2H3","InChI=1S/C5H8N2/c1-4-5(2)7-3-6-4/h3-4H,1-2H3/t4-/m1/s1",59.96406999999999,7.582560000000001,
9589,[C:1]([n:2]1[c:3]([H:11])[n:4][c:5]([C:6]([H:12])([H:13])[H:14])[c:7]1[H:15])([H:8])([H:9])[H:10],[C:1](/[N:2]=[C:7](/[C@:5]1([C:6]([H:12])([H:13])[H:14])[C:3]([H:11])=[N:4]1)[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5-3-7(2)4-6-5/h3-4H,1-2H3","InChI=1S/C5H8N2/c1-5(3-6-2)4-7-5/h3-4H,1-2H3/b6-3+/t5-/m1/s1",95.84794000000001,54.592009999999995,
9590,[C:1]([n:2]1[c:3]([H:11])[n:4][c:5]([C:6]([H:12])([H:13])[H:14])[c:7]1[H:15])([H:8])([H:9])[H:10],[C:1]([N:2](/[C:3](=[N:4]\[C:5]([C:6]([H:12])([H:13])[H:14])=[C:7])[H:11])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5-3-7(2)4-6-5/h3-4H,1-2H3","InChI=1S/C5H8N2/c1-5(2)7-4-6-3/h4H,1,3H3,(H,6,7)",91.42853000000001,91.53769,
9591,[C:1]([n:2]1[c:3]([H:11])[n:4][c:5]([C:6]([H:12])([H:13])[H:14])[c:7]1[H:15])([H:8])([H:9])[H:10],[C-:1]([N+:2]1=[C:3]([H:11])[N:4]=[C:5]([C:6]([H:12])([H:13])[H:14])[C:7]1([H:10])[H:15])([H:8])[H:9],"InChI=1S/C5H8N2/c1-5-3-7(2)4-6-5/h3-4H,1-2H3","InChI=1S/C5H8N2/c1-5-3-7(2)4-6-5/h4H,2-3H2,1H3",86.71741999999999,46.77476,
9592,[C:1]([n:2]1[c:3]([H:11])[n:4][c:5]([C:6]([H:12])([H:13])[H:14])[c:7]1[H:15])([H:8])([H:9])[H:10],[C-:1]([N+:2]1=[C:7]([H:15])[C:5]([C:6]([H:12])([H:13])[H:14])=[N:4][C:3]1([H:10])[H:11])([H:8])[H:9],"InChI=1S/C5H8N2/c1-5-3-7(2)4-6-5/h3-4H,1-2H3","InChI=1S/C5H8N2/c1-5-3-7(2)4-6-5/h3H,2,4H2,1H3",86.25624,38.2403,
9593,[C:1]([n:2]1[c:3]([H:11])[n:4][c:5]([C:6]([H:12])([H:13])[H:14])[c:7]1[H:15])([H:8])([H:9])[H:10],[C:1]([n:2]1[c:3]([H:11])[n+:4]([C:6]([H:12])([H:13])[H:14])[c-:5][c:7]1[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5-3-7(2)4-6-5/h3-4H,1-2H3","InChI=1S/C5H8N2/c1-6-3-4-7(2)5-6/h3,5H,1-2H3",105.10468,55.5798,
9594,[C:1]([n:2]1[c:3]([H:11])[n:4][c:5]([C:6]([H:12])([H:13])[H:14])[c:7]1[H:15])([H:8])([H:9])[H:10],[C-:1]([N+:2]1=[C:7]([H:15])[C@@:5]([C:6]([H:12])([H:13])[H:14])([H:10])[N:4]=[C:3]1[H:11])([H:8])[H:9],"InChI=1S/C5H8N2/c1-5-3-7(2)4-6-5/h3-4H,1-2H3","InChI=1S/C5H8N2/c1-5-3-7(2)4-6-5/h3-5H,2H2,1H3/t5-/m0/s1",99.19017,52.8614,
9595,[C:1]([n:2]1[c:3]([H:11])[n:4][c:5]([C:6]([H:12])([H:13])[H:14])[c:7]1[H:15])([H:8])([H:9])[H:10],[C:1]([N+:2]1([H:15])[C:3]([H:11])=[N:4][C:5]([C:6]([H:12])([H:13])[H:14])=[C-:7]1)([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5-3-7(2)4-6-5/h3-4H,1-2H3","InChI=1S/C5H8N2/c1-5-3-7(2)4-6-5/h4,7H,1-2H3",87.82894,81.44159,
9596,[C:1]([n:2]1[c:3]([H:11])[n:4][c:5]([C:6]([H:12])([H:13])[H:14])[c:7]1[H:15])([H:8])([H:9])[H:10],[C:1]([N+:2]1=[C:3]([H:11])[N:4]([H:13])[C:5](=[C:6]([H:12])[H:14])[C-:7]1[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5-3-7(2)4-6-5/h3-4H,1-2H3","InChI=1S/C5H8N2/c1-5-3-7(2)4-6-5/h3-4,6H,1H2,2H3",75.32439000000001,47.92174,
9597,[C:1]([n:2]1[c:3]([H:11])[n:4][c:5]([C:6]([H:12])([H:13])[H:14])[c:7]1[H:15])([H:8])([H:9])[H:10],[C-:1]([N+:2]1([H:10])[C:3]([H:11])=[N:4][C:5]([C:6]([H:12])([H:13])[H:14])=[C:7]1[H:15])([H:8])[H:9],"InChI=1S/C5H8N2/c1-5-3-7(2)4-6-5/h3-4H,1-2H3","InChI=1S/C5H8N2/c1-5-3-7(2)4-6-5/h3-4,7H,2H2,1H3",94.96531999999999,89.71983,
9598,[C:1]([n:2]1[c:3]([H:11])[n:4][c:5]([C:6]([H:12])([H:13])[H:14])[c:7]1[H:15])([H:8])([H:9])[H:10],[C:1]([N:2]=[C:3]([N:4]=[C:5]=[C:7]([C:6]([H:12])([H:13])[H:14])[H:15])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5-3-7(2)4-6-5/h3-4H,1-2H3","InChI=1S/C5H8N2/c1-3-4-7-5-6-2/h3,5H,1-2H3",89.68444000000001,37.897,
9599,[C:1]([n:2]1[c:3]([H:11])[n:4][c:5]([C:6]([H:12])([H:13])[H:14])[c:7]1[H:15])([H:8])([H:9])[H:10],[C:1](/[N:2]=[C:7](/[C:5]([N:4]=[C:3]([H:11])[H:13])=[C:6]([H:12])[H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5-3-7(2)4-6-5/h3-4H,1-2H3","InChI=1S/C5H8N2/c1-5(7-3)4-6-2/h4H,1,3H2,2H3/b6-4+",108.95329,35.9718,
9600,[C:1]([n:2]1[c:3]([H:11])[n:4][c:5]([C:6]([H:12])([H:13])[H:14])[c:7]1[H:15])([H:8])([H:9])[H:10],[C:1](=[N:2]/[C:7](=[C:5](\[N+:4]#[C-:3])[C:6]([H:12])([H:13])[H:14])[H:15])([H:8])[H:9].[H:10][H:11],"InChI=1S/C5H8N2/c1-5-3-7(2)4-6-5/h3-4H,1-2H3","InChI=1S/C5H6N2.H2/c1-5(7-3)4-6-2;/h4H,2H2,1H3;1H/b5-4-;",102.25019,65.66745999999999,
9601,[C:1]([n:2]1[c:3]([H:11])[n:4][c:5]([C:6]([H:12])([H:13])[H:14])[c:7]1[H:15])([H:8])([H:9])[H:10],[C:1]([N+:2]1([H:13])[C:3]([H:11])=[N:4][C:5](=[C:6]([H:12])[H:14])[C-:7]1[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5-3-7(2)4-6-5/h3-4H,1-2H3","InChI=1S/C5H8N2/c1-5-3-7(2)4-6-5/h3-4,7H,1H2,2H3",108.67943000000001,80.56557,
9602,[C:1]([n:2]1[c:3]([H:11])[n:4][c:5]([C:6]([H:12])([H:13])[H:14])[c:7]1[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:3]1([H:11])[N:2]=[C:7]([H:15])[C:5]([C:6]([H:12])([H:13])[H:14])=[N:4]1)([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5-3-7(2)4-6-5/h3-4H,1-2H3","InChI=1S/C5H8N2/c1-4-3-6-5(2)7-4/h3,5H,1-2H3/t5-/m0/s1",53.49841,6.36563,
9603,[C:1]([n:2]1[c:3]([H:11])[n:4][c:5]([C:6]([H:12])([H:13])[H:14])[c:7]1[H:15])([H:8])([H:9])[H:10],[C:1]([N:2]1[C:3]([H:11])=[N:4][C:5](=[C:6]([H:12])[H:14])[C:7]1([H:13])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5-3-7(2)4-6-5/h3-4H,1-2H3","InChI=1S/C5H8N2/c1-5-3-7(2)4-6-5/h4H,1,3H2,2H3",87.3129,18.82836,
9604,[C:1]([n:2]1[c:3]([H:11])[n:4][c:5]([C:6]([H:12])([H:13])[H:14])[c:7]1[H:15])([H:8])([H:9])[H:10],[C:1]([N:2]1[C:3]([H:11])=[N+:4]=[C-:5][C@:7]1([C:6]([H:12])([H:13])[H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5-3-7(2)4-6-5/h3-4H,1-2H3","InChI=1S/C5H8N2/c1-5-3-6-4-7(5)2/h4-5H,1-2H3/t5-/m1/s1",89.7022,71.09234000000001,
9605,[C:1]([n:2]1[c:3]([H:11])[n:4][c:5]([C:6]([H:12])([H:13])[H:14])[c:7]1[H:15])([H:8])([H:9])[H:10],[C:1](/[N:2]=[C:3](/[N:4]1[C:5]([C:6]([H:12])([H:13])[H:14])=[C:7]1[H:15])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5-3-7(2)4-6-5/h3-4H,1-2H3","InChI=1S/C5H8N2/c1-5-3-7(5)4-6-2/h3-4H,1-2H3/b6-4+",93.40401,84.66121,
9606,[C:1]([n:2]1[c:3]([H:11])[n:4][c:5]([C:6]([H:12])([H:13])[H:14])[c:7]1[H:15])([H:8])([H:9])[H:10],[C:1](/[N:2]=[C:7](/[C:5](=[N+:4]=[C-:3][H:11])[C:6]([H:12])([H:13])[H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5-3-7(2)4-6-5/h3-4H,1-2H3","InChI=1S/C5H8N2/c1-5(7-3)4-6-2/h3-4H,1-2H3/b6-4+",54.941480000000006,55.2327,
9607,[C:1]([n:2]1[c:3]([H:11])[n:4][c:5]([C:6]([H:12])([H:13])[H:14])[c:7]1[H:15])([H:8])([H:9])[H:10],[C:1]1([H:9])([H:10])[N:2]=[C:3]([H:11])[N:4]=[C:5]([C:6]([H:12])([H:13])[H:14])[C:7]1([H:8])[H:15],"InChI=1S/C5H8N2/c1-5-3-7(2)4-6-5/h3-4H,1-2H3","InChI=1S/C5H8N2/c1-5-2-3-6-4-7-5/h4H,2-3H2,1H3",112.65745,10.76869,
9608,[C:1]([n:2]1[c:3]([H:11])[n:4][c:5]([C:6]([H:12])([H:13])[H:14])[c:7]1[H:15])([H:8])([H:9])[H:10],[C:1]([N:2]=[C:7]=[C:5]([C:6]([H:12])([H:13])[H:14])[H:15])([H:8])([H:9])[H:10].[C:3](#[N:4])[H:11],"InChI=1S/C5H8N2/c1-5-3-7(2)4-6-5/h3-4H,1-2H3","InChI=1S/C4H7N.CHN/c1-3-4-5-2;1-2/h3H,1-2H3;1H",102.49091,47.23887,
9609,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[C:4]([H:14])([H:15])[O:5][C:6]([H:16])=[N:7]1)([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])=[C:4]([H:14])[H:15])([H:8])([H:9])[H:10].[O:5]=[C:6]=[N:7][H:16],"InChI=1S/C5H9NO/c1-5(2)3-7-4-6-5/h4H,3H2,1-2H3","InChI=1S/C4H8.CHNO/c1-4(2)3;2-1-3/h1H2,2-3H3;2H",53.7521,-2.42951,
9610,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[C:4]([H:14])([H:15])[O:5][C:6]([H:16])=[N:7]1)([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])(/[N:7]=[C:6](\[O+:5]=[C-:4][H:14])[H:16])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-5(2)3-7-4-6-5/h4H,3H2,1-2H3","InChI=1S/C5H9NO/c1-5(2)6-4-7-3/h3-5H,1-2H3/b6-4-",75.90074,78.69400999999999,
9611,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[C:4]([H:14])([H:15])[O:5][C:6]([H:16])=[N:7]1)([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4](=[O:5])[H:14])[H:15])([H:8])([H:9])[H:10].[C:6](#[N:7])[H:16],"InChI=1S/C5H9NO/c1-5(2)3-7-4-6-5/h4H,3H2,1-2H3","InChI=1S/C4H8O.CHN/c1-4(2)3-5;1-2/h3-4H,1-2H3;1H",63.884840000000004,16.44499,
9612,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[C:4]([H:14])([H:15])[O:5][C:6]([H:16])=[N:7]1)([H:8])([H:9])[H:10],[C:1]([C@@:2]12[C:3]([H:12])([H:13])[C@:4]1([H:14])[O:5][C:6]([H:16])=[N:7]2)([H:8])([H:9])[H:10].[H:11][H:15],"InChI=1S/C5H9NO/c1-5(2)3-7-4-6-5/h4H,3H2,1-2H3","InChI=1S/C5H7NO.H2/c1-5-2-4(5)7-3-6-5;/h3-4H,2H2,1H3;1H/t4-,5+;/m0./s1",106.73277,38.38252,
9613,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[C:4]([H:14])([H:15])[O:5][C:6]([H:16])=[N:7]1)([H:8])([H:9])[H:10],[C:1](/[C:2]([C:4]([C:3]([H:11])([H:12])[H:13])([H:14])[H:15])=[N:7]/[C:6](=[O:5])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-5(2)3-7-4-6-5/h4H,3H2,1-2H3","InChI=1S/C5H9NO/c1-3-5(2)6-4-7/h4H,3H2,1-2H3/b6-5-",59.033669999999994,-2.2459599999999997,
9614,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[C:4]([H:14])([H:15])[O:5][C:6]([H:16])=[N:7]1)([H:8])([H:9])[H:10],[C:1]([C:2]1=[N:7][C@:6]([C:3]([H:11])([H:12])[H:13])([H:16])[O:5][C:4]1([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-5(2)3-7-4-6-5/h4H,3H2,1-2H3","InChI=1S/C5H9NO/c1-4-3-7-5(2)6-4/h5H,3H2,1-2H3/t5-/m1/s1",100.74414,2.56291,
9615,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[C:4]([H:14])([H:15])[O:5][C:6]([H:16])=[N:7]1)([H:8])([H:9])[H:10],[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[C-:4]([H:15])[O+:5]=[C:6]([H:16])[N:7]1[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-5(2)3-7-4-6-5/h4H,3H2,1-2H3","InChI=1S/C5H9NO/c1-5(2)3-7-4-6-5/h3-4,6H,1-2H3",75.98201,61.22821999999999,
9616,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[C:4]([H:14])([H:15])[O:5][C:6]([H:16])=[N:7]1)([H:8])([H:9])[H:10],[C:1]([O:5][C:4]([C:2]([C:3]([H:11])([H:12])[H:13])=[N+:7]=[C-:6][H:16])([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-5(2)3-7-4-6-5/h4H,3H2,1-2H3","InChI=1S/C5H9NO/c1-5(6-2)4-7-3/h2H,4H2,1,3H3",85.17461999999999,57.01791,
9617,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[C:4]([H:14])([H:15])[O:5][C:6]([H:16])=[N:7]1)([H:8])([H:9])[H:10],[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[C:4]([H:14])([H:15])[O+:5]=[C-:6][N:7]1[H:16])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-5(2)3-7-4-6-5/h4H,3H2,1-2H3","InChI=1S/C5H9NO/c1-5(2)3-7-4-6-5/h6H,3H2,1-2H3",66.83935,29.07899,
9618,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[C:4]([H:14])([H:15])[O:5][C:6]([H:16])=[N:7]1)([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])=[N+:7]=[C-:6][H:16])([H:8])([H:9])[H:10].[C:4](=[O:5])([H:14])[H:15],"InChI=1S/C5H9NO/c1-5(2)3-7-4-6-5/h4H,3H2,1-2H3","InChI=1S/C4H7N.CH2O/c1-4(2)5-3;1-2/h3H,1-2H3;1H2",57.441030000000005,60.72954,
9619,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[C:4]([H:14])([H:15])[O:5][C:6]([H:16])=[N:7]1)([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4]([O:5][H:16])([H:14])[H:15])[N+:7]#[C-:6])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-5(2)3-7-4-6-5/h4H,3H2,1-2H3","InChI=1S/C5H9NO/c1-5(2,4-7)6-3/h7H,4H2,1-2H3",60.124190000000006,21.58919,
9620,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[C:4]([H:14])([H:15])[O:5][C:6]([H:16])=[N:7]1)([H:8])([H:9])[H:10],[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[C:4]([H:14])([H:15])[N:7]1[C:6](=[O:5])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-5(2)3-7-4-6-5/h4H,3H2,1-2H3","InChI=1S/C5H9NO/c1-5(2)3-6(5)4-7/h4H,3H2,1-2H3",44.93422,13.344320000000002,ketoenol
9621,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[C:4]([H:14])([H:15])[O:5][C:6]([H:16])=[N:7]1)([H:8])([H:9])[H:10],[C:1]([C:2]1=[N+:7]([C:3]([H:11])([H:12])[H:13])[C-:6]([H:16])[O:5][C:4]1([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-5(2)3-7-4-6-5/h4H,3H2,1-2H3","InChI=1S/C5H9NO/c1-5-3-7-4-6(5)2/h4H,3H2,1-2H3",93.9395,55.367419999999996,
9622,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[C:4]([H:14])([H:15])[O:5][C:6]([H:16])=[N:7]1)([H:8])([H:9])[H:10],[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[C-:4]=[O+:5][C:6]([H:16])=[N:7]1)([H:8])([H:9])[H:10].[H:14][H:15],"InChI=1S/C5H9NO/c1-5(2)3-7-4-6-5/h4H,3H2,1-2H3","InChI=1S/C5H7NO.H2/c1-5(2)3-7-4-6-5;/h4H,1-2H3;1H",79.75165,71.48683,
9623,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[C:4]([H:14])([H:15])[O:5][C:6]([H:16])=[N:7]1)([H:8])([H:9])[H:10],[C:1]([C:4]([O:5][C:6](=[N+:7]=[C-:2][C:3]([H:11])([H:12])[H:13])[H:16])([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-5(2)3-7-4-6-5/h4H,3H2,1-2H3","InChI=1S/C5H9NO/c1-3-6-5-7-4-2/h5H,4H2,1-2H3",117.99368999999999,49.70062,
9624,[N:1]#[C:2][c:3]1[n:4][c:5]([H:8])[c:6]([H:9])[n:7]1[H:10],[C:5](#[C:6][H:9])[H:8].[N:1]#[C:2][N:4]=[C:3]=[N:7][H:10],"InChI=1S/C4H3N3/c5-3-4-6-1-2-7-4/h1-2H,(H,6,7)",InChI=1S/C2HN3.C2H2/c3-1-5-2-4;1-2/h3H;1-2H,126.88686000000001,67.36765,
9625,[N:1]#[C:2][c:3]1[n:4][c:5]([H:8])[c:6]([H:9])[n:7]1[H:10],[N+:1](#[C-:2])[c:3]1[n:4][c:5]([H:8])[c:6]([H:9])[n:7]1[H:10],"InChI=1S/C4H3N3/c5-3-4-6-1-2-7-4/h1-2H,(H,6,7)","InChI=1S/C4H3N3/c1-5-4-6-2-3-7-4/h2-3H,(H,6,7)",54.84222,25.36594,
9626,[N:1]#[C:2][c:3]1[n:4][c:5]([H:8])[c:6]([H:9])[n:7]1[H:10],[C:5](#[C:6][H:9])[H:8].[N:1]#[C:2][N:7]([C:3]#[N:4])[H:10],"InChI=1S/C4H3N3/c5-3-4-6-1-2-7-4/h1-2H,(H,6,7)",InChI=1S/C2HN3.C2H2/c3-1-5-2-4;1-2/h5H;1-2H,141.27213999999998,79.00527,
9627,[N:1]#[C:2][c:3]1[n:4][c:5]([H:8])[c:6]([H:9])[n:7]1[H:10],[N:1]#[C:2][C@@:6]1([H:9])[C:5]([H:8])=[N+:4]=[C-:3][N:7]1[H:10],"InChI=1S/C4H3N3/c5-3-4-6-1-2-7-4/h1-2H,(H,6,7)","InChI=1S/C4H3N3/c5-1-4-2-6-3-7-4/h2,4,7H/t4-/m0/s1",125.82767,65.60645,
9628,[N:1]#[C:2][c:3]1[n:4][c:5]([H:8])[c:6]([H:9])[n:7]1[H:10],[N:1]#[C:2][C:3]([N:4]=[C:5]=[C:6]([H:8])[H:9])=[N:7][H:10],"InChI=1S/C4H3N3/c5-3-4-6-1-2-7-4/h1-2H,(H,6,7)","InChI=1S/C4H3N3/c1-2-7-4(6)3-5/h6H,1H2",96.45022,38.439820000000005,
9629,[N:1]#[C:2][c:3]1[n:4][c:5]([H:8])[c:6]([H:9])[n:7]1[H:10],[N-:1]=[C:2]=[C:3]1[N:4]([H:8])[C+:5]=[C:6]([H:9])[N:7]1[H:10],"InChI=1S/C4H3N3/c5-3-4-6-1-2-7-4/h1-2H,(H,6,7)","InChI=1S/C4H3N3/c5-3-4-6-1-2-7-4/h1,6-7H",83.37298,45.266220000000004,
9630,[N:1]#[C:2][c:3]1[n:4][c:5]([H:8])[c:6]([H:9])[n:7]1[H:10],[N-:1]=[C:2]=[C:3]([N+:4]#[C:5][H:8])[N:7]([C:6][H:9])[H:10],"InChI=1S/C4H3N3/c5-3-4-6-1-2-7-4/h1-2H,(H,6,7)","InChI=1S/C4H3N3/c1-6-4(3-5)7-2/h1-2,6H",94.99864000000001,101.25174,
9631,[N:1]#[C:2][c:3]1[n:4][c:5]([H:8])[c:6]([H:9])[n:7]1[H:10],[N-:1]=[C:2]=[C:3]1[N+:4]#[C:5][C:6]([H:8])([H:9])[N:7]1[H:10],"InChI=1S/C4H3N3/c5-3-4-6-1-2-7-4/h1-2H,(H,6,7)","InChI=1S/C4H3N3/c5-3-4-6-1-2-7-4/h6H,1H2",81.13568000000001,71.61008000000001,Singlet_Carbene_Intra_Disproportionation
9632,[N:1]#[C:2][c:3]1[n:4][c:5]([H:8])[c:6]([H:9])[n:7]1[H:10],[N:1]#[C:2][C:3]1=[N:4][C:5]([H:8])([H:9])[C-:6]=[N+:7]1[H:10],"InChI=1S/C4H3N3/c5-3-4-6-1-2-7-4/h1-2H,(H,6,7)","InChI=1S/C4H3N3/c5-3-4-6-1-2-7-4/h7H,1H2",65.41065,54.79393,Singlet_Carbene_Intra_Disproportionation
9633,[N:1]#[C:2][c:3]1[n:4][c:5]([H:8])[c:6]([H:9])[n:7]1[H:10],[N+:1](#[C-:2])[N:7](/[C:6](=[C:5](\[N+:4]#[C-:3])[H:8])[H:9])[H:10],"InChI=1S/C4H3N3/c5-3-4-6-1-2-7-4/h1-2H,(H,6,7)","InChI=1S/C4H3N3/c1-5-3-4-7-6-2/h3-4,7H/b4-3-",102.09063,99.32884,
9634,[N:1]#[C:2][c:3]1[n:4][c:5]([H:8])[c:6]([H:9])[n:7]1[H:10],[N:1]#[C:2][C:3]1([H:10])[N:4]=[C:5]([H:8])[C:6]([H:9])=[N:7]1,"InChI=1S/C4H3N3/c5-3-4-6-1-2-7-4/h1-2H,(H,6,7)","InChI=1S/C4H3N3/c5-3-4-6-1-2-7-4/h1-2,4H",50.69495,25.251620000000003,
9635,[N:1]#[C:2][c:3]1[n:4][c:5]([H:8])[c:6]([H:9])[n:7]1[H:10],[N:1]#[C:2][C:3]1=[N:4][C:5]([H:8])=[C-:6][N+:7]1([H:9])[H:10],"InChI=1S/C4H3N3/c5-3-4-6-1-2-7-4/h1-2H,(H,6,7)","InChI=1S/C4H3N3/c5-3-4-6-1-2-7-4/h1H,7H2",90.24956,81.27571999999999,
9636,[N:1]#[C:2][c:3]1[n:4][c:5]([H:8])[c:6]([H:9])[n:7]1[H:10],[N-:1]=[C:2]=[C:3]=[N+:4]=[C:5](/[C:6](=[N:7]\[H:10])[H:9])[H:8],"InChI=1S/C4H3N3/c5-3-4-6-1-2-7-4/h1-2H,(H,6,7)","InChI=1S/C4H3N3/c5-1-3-7-4-2-6/h1,3,5H/b5-1-",61.97942,50.53582,
9637,[N:1]#[C:2][c:3]1[n:4][c:5]([H:8])[c:6]([H:9])[n:7]1[H:10],[N:1](=[C:2]=[C:3]1[N-:4][C:5]([H:8])=[C:6]=[N+:7]1[H:10])[H:9],"InChI=1S/C4H3N3/c5-3-4-6-1-2-7-4/h1-2H,(H,6,7)","InChI=1S/C4H2N3/c5-3-4-6-1-2-7-4/h1,5H/q-1/p+1",144.86597,64.96401999999999,
9638,[N:1]#[C:2][c:3]1[n:4][c:5]([H:8])[c:6]([H:9])[n:7]1[H:10],[N+:1](#[C-:2])[C@@:6]1([H:9])[C:5]([H:8])=[N+:4]=[C-:3][N:7]1[H:10],"InChI=1S/C4H3N3/c5-3-4-6-1-2-7-4/h1-2H,(H,6,7)","InChI=1S/C4H3N3/c1-5-4-2-6-3-7-4/h2,4,7H/t4-/m1/s1",130.96393,91.98876,
9639,[N:1]#[C:2][c:3]1[n:4][c:5]([H:8])[c:6]([H:9])[n:7]1[H:10],[N:1]#[C:2][C:3]1=[N:7][C:6]([H:9])([H:10])[C:5]([H:8])=[N:4]1,"InChI=1S/C4H3N3/c5-3-4-6-1-2-7-4/h1-2H,(H,6,7)","InChI=1S/C4H3N3/c5-3-4-6-1-2-7-4/h1H,2H2",48.8082,20.58701,
9640,[N:1]#[C:2][c:3]1[n:4][c:5]([H:8])[c:6]([H:9])[n:7]1[H:10],[N:1]1=[N:4][C:5]([H:8])=[C:6]([H:9])[N:7]([H:10])[C:3]#[C:2]1,"InChI=1S/C4H3N3/c5-3-4-6-1-2-7-4/h1-2H,(H,6,7)","InChI=1S/C4H3N3/c1-3-6-7-4-2-5-1/h1,3,5H",118.66581000000001,120.93006000000001,
9641,[N:1]#[C:2][c:3]1[n:4][c:5]([H:8])[c:6]([H:9])[n:7]1[H:10],[C:5](#[C:6][H:9])[H:8].[N+:1](#[C-:2])[N:7]([C:3]#[N:4])[H:10],"InChI=1S/C4H3N3/c5-3-4-6-1-2-7-4/h1-2H,(H,6,7)",InChI=1S/C2HN3.C2H2/c1-4-5-2-3;1-2/h5H;1-2H,169.15355,128.14577,
9642,[N:1]#[C:2][c:3]1[n:4][c:5]([H:8])[c:6]([H:9])[n:7]1[H:10],[N:1]#[C:2]/[N:4]=[C:3]1/[C:5]([H:8])=[C:6]([H:9])[N:7]1[H:10],"InChI=1S/C4H3N3/c5-3-4-6-1-2-7-4/h1-2H,(H,6,7)","InChI=1S/C4H3N3/c5-3-7-4-1-2-6-4/h1-2H,(H,6,7)",151.43035,49.316559999999996,
9643,[N:1]#[C:2][c:3]1[n:4][c:5]([H:8])[c:6]([H:9])[n:7]1[H:10],[N:1]#[C:2][N:7]([C:6](=[C:5]([N+:4]#[C-:3])[H:8])[H:9])[H:10],"InChI=1S/C4H3N3/c5-3-4-6-1-2-7-4/h1-2H,(H,6,7)","InChI=1S/C4H3N3/c1-6-2-3-7-4-5/h2-3,7H",81.63479,50.85393,
9644,[N:1]#[C:2][c:3]1[n:4][c:5]([H:8])[c:6]([H:9])[n:7]1[H:10],[N:1]#[C:2]/[C:3]([N:4]1[C:5]([H:8])=[C:6]1[H:9])=[N:7]\[H:10],"InChI=1S/C4H3N3/c5-3-4-6-1-2-7-4/h1-2H,(H,6,7)","InChI=1S/C4H3N3/c5-3-4(6)7-1-2-7/h1-2,6H/b6-4+",99.85834,90.03093,
9645,[N:1]#[C:2][c:3]1[n:4][c:5]([H:8])[c:6]([H:9])[n:7]1[H:10],[N:1]#[C:2][C@@:5]([N+:4]#[C-:3])(/[C:6](=[N:7]/[H:10])[H:9])[H:8],"InChI=1S/C4H3N3/c5-3-4-6-1-2-7-4/h1-2H,(H,6,7)","InChI=1S/C4H3N3/c1-7-4(2-5)3-6/h2,4-5H/b5-2+/t4-/m0/s1",101.79478,54.34647,
9646,[N:1]#[C:2][c:3]1[n:4][c:5]([H:8])[c:6]([H:9])[n:7]1[H:10],[N:1](=[C:2]=[C:3]1[N:4]=[C:5]([H:8])[C:6]([H:9])=[N:7]1)[H:10],"InChI=1S/C4H3N3/c5-3-4-6-1-2-7-4/h1-2H,(H,6,7)","InChI=1S/C4H3N3/c5-3-4-6-1-2-7-4/h1-2,5H",72.1766,26.39653,
9647,[N:1]#[C:2][c:3]1[n:4][c:5]([H:8])[c:6]([H:9])[n:7]1[H:10],[N-:1]1[C@:5]([N-:4][C:3]#[C+:2])([H:8])[C+:6]([H:9])[N:7]1[H:10],"InChI=1S/C4H3N3/c5-3-4-6-1-2-7-4/h1-2H,(H,6,7)","InChI=1S/C4H3N3/c1-2-5-4-3-6-7-4/h3-4,6H/t4-/m1/s1",192.06728,190.5379,
9648,[N:1]#[C:2][c:3]1[n:4][c:5]([H:8])[c:6]([H:9])[n:7]1[H:10],[N-:1]=[C:2]=[C:3]([N+:4]#[C:5][H:8])/[C:6](=[N:7]/[H:10])[H:9],"InChI=1S/C4H3N3/c5-3-4-6-1-2-7-4/h1-2H,(H,6,7)","InChI=1S/C4H3N3/c1-7-4(2-5)3-6/h1-2,5H/b5-2+",128.98678999999998,52.74129,
9649,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[N:4]([H:12])[C:5]([H:13])([H:14])[C:6]1=[O:7])[H:8],[C-:6]#[O+:7].[O:1]([C:2]1([H:9])[C:3]([H:10])([H:11])[N:4]([H:12])[C:5]1([H:13])[H:14])[H:8],"InChI=1S/C4H7NO2/c6-3-1-5-2-4(3)7/h3,5-6H,1-2H2/t3-/m0/s1","InChI=1S/C3H7NO.CO/c5-3-1-4-2-3;1-2/h3-5H,1-2H2;",80.0824,23.71504,
9650,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[N:4]([H:12])[C:5]([H:13])([H:14])[C:6]1=[O:7])[H:8],[O:1]([C@@:2]([C:3]([N:4]=[C:5]([H:13])[H:14])([H:10])[H:11])([C:6](=[O:7])[H:12])[H:9])[H:8],"InChI=1S/C4H7NO2/c6-3-1-5-2-4(3)7/h3,5-6H,1-2H2/t3-/m0/s1","InChI=1S/C4H7NO2/c1-5-2-4(7)3-6/h3-4,7H,1-2H2/t4-/m0/s1",74.61456,17.41703,
9651,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[N:4]([H:12])[C:5]([H:13])([H:14])[C:6]1=[O:7])[H:8],[O:1]([C@@:2]1([H:9])[C-:3]([H:10])[N+:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]1=[O:7])[H:8],"InChI=1S/C4H7NO2/c6-3-1-5-2-4(3)7/h3,5-6H,1-2H2/t3-/m0/s1","InChI=1S/C4H7NO2/c6-3-1-5-2-4(3)7/h1,3,6H,2,5H2/t3-/m0/s1",73.81964,54.78566,
9652,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[N:4]([H:12])[C:5]([H:13])([H:14])[C:6]1=[O:7])[H:8],[O:1]([C:2]1=[C:6]([O:7][H:9])[C:5]([H:13])([H:14])[N:4]([H:12])[C:3]1([H:10])[H:11])[H:8],"InChI=1S/C4H7NO2/c6-3-1-5-2-4(3)7/h3,5-6H,1-2H2/t3-/m0/s1","InChI=1S/C4H7NO2/c6-3-1-5-2-4(3)7/h5-7H,1-2H2",65.28669000000001,8.419319999999999,ketoenol
9653,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[N:4]([H:12])[C:5]([H:13])([H:14])[C:6]1=[O:7])[H:8],[C:2]1([H:9])=[C:3]([H:10])[N:4]([H:12])[C:5]([H:13])([H:14])[C:6]1=[O:7].[O:1]([H:8])[H:11],"InChI=1S/C4H7NO2/c6-3-1-5-2-4(3)7/h3,5-6H,1-2H2/t3-/m0/s1","InChI=1S/C4H5NO.H2O/c6-4-1-2-5-3-4;/h1-2,5H,3H2;1H2",60.63645,-4.936030000000001,"1,3_Insertion_ROR"
9654,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[N:4]([H:12])[C:5]([H:13])([H:14])[C:6]1=[O:7])[H:8],[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[N:4]2[C:5]([H:13])([H:14])[C@:6]12[O:7][H:12])[H:8],"InChI=1S/C4H7NO2/c6-3-1-5-2-4(3)7/h3,5-6H,1-2H2/t3-/m0/s1","InChI=1S/C4H7NO2/c6-3-1-5-2-4(3,5)7/h3,6-7H,1-2H2/t3-,4-,5?/m0/s1",74.99741,37.89114,
9655,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[N:4]([H:12])[C:5]([H:13])([H:14])[C:6]1=[O:7])[H:8],[C:3]1([H:10])([H:11])[N:4]([H:12])[C:5]1([H:13])[H:14].[O:1]([C:2](=[C:6]=[O:7])[H:9])[H:8],"InChI=1S/C4H7NO2/c6-3-1-5-2-4(3)7/h3,5-6H,1-2H2/t3-/m0/s1","InChI=1S/C2H5N.C2H2O2/c1-2-3-1;3-1-2-4/h3H,1-2H2;1,3H",81.21432,54.765809999999995,
9656,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[N:4]([H:12])[C:5]([H:13])([H:14])[C:6]1=[O:7])[H:8],[O:1]([C:2]([C:6]([C:5]([N:4]([C:3][H:11])[H:12])([H:13])[H:14])=[O:7])([H:9])[H:10])[H:8],"InChI=1S/C4H7NO2/c6-3-1-5-2-4(3)7/h3,5-6H,1-2H2/t3-/m0/s1","InChI=1S/C4H7NO2/c1-5-2-4(7)3-6/h1,5-6H,2-3H2",60.70328000000001,52.85539,
9657,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[N:4]([H:12])[C:5]([H:13])([H:14])[C:6]1=[O:7])[H:8],[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[N+:4]([H:12])([H:14])[C:5]([H:13])=[C:6]1[O-:7])[H:8],"InChI=1S/C4H7NO2/c6-3-1-5-2-4(3)7/h3,5-6H,1-2H2/t3-/m0/s1","InChI=1S/C4H7NO2/c6-3-1-5-2-4(3)7/h1,4-7H,2H2/t4-/m0/s1",57.139359999999996,26.06408,
9658,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[N:4]([H:12])[C:5]([H:13])([H:14])[C:6]1=[O:7])[H:8],[O:1]=[C:2]([C:3]([N:4]([C:5]([C:6](=[O:7])[H:8])([H:13])[H:14])[H:12])([H:10])[H:11])[H:9],"InChI=1S/C4H7NO2/c6-3-1-5-2-4(3)7/h3,5-6H,1-2H2/t3-/m0/s1","InChI=1S/C4H7NO2/c6-3-1-5-2-4-7/h3-5H,1-2H2",72.90678,13.42106,
9659,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[N:4]([H:12])[C:5]([H:13])([H:14])[C:6]1=[O:7])[H:8],[O:1]([O:7][C:6]1=[C:2]([H:9])[C:3]([H:10])([H:11])[N:4]([H:12])[C:5]1([H:13])[H:14])[H:8],"InChI=1S/C4H7NO2/c6-3-1-5-2-4(3)7/h3,5-6H,1-2H2/t3-/m0/s1","InChI=1S/C4H7NO2/c6-7-4-1-2-5-3-4/h1,5-6H,2-3H2",88.25343000000001,69.01089,ketoenol
9660,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[N:4]([H:12])[C:5]([H:13])([H:14])[C:6]1=[O:7])[H:8],[H:11][H:13].[O:1]([C@@:2]1([H:9])[C+:3]([H:10])[N:4]([H:12])[C:5]([H:14])=[C:6]1[O-:7])[H:8],"InChI=1S/C4H7NO2/c6-3-1-5-2-4(3)7/h3,5-6H,1-2H2/t3-/m0/s1","InChI=1S/C4H5NO2.H2/c6-3-1-5-2-4(3)7;/h1-3,5-6H;1H/t3-;/m0./s1",49.4858,38.145579999999995,
9661,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[N:4]([H:12])[C:5]([H:13])([H:14])[C:6]1=[O:7])[H:8],[O:1]=[C:2]([C:6]1([O:7][H:8])[C:3]([H:10])([H:11])[N:4]([H:12])[C:5]1([H:13])[H:14])[H:9],"InChI=1S/C4H7NO2/c6-3-1-5-2-4(3)7/h3,5-6H,1-2H2/t3-/m0/s1","InChI=1S/C4H7NO2/c6-3-4(7)1-5-2-4/h3,5,7H,1-2H2",41.36094,17.227220000000003,
9662,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[N:4]([H:12])[C:5]([H:13])([H:14])[C:6]1=[O:7])[H:8],[H:12][H:13].[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[N:4]=[C:5]([H:14])[C:6]1=[O:7])[H:8],"InChI=1S/C4H7NO2/c6-3-1-5-2-4(3)7/h3,5-6H,1-2H2/t3-/m0/s1","InChI=1S/C4H5NO2.H2/c6-3-1-5-2-4(3)7;/h1,4,7H,2H2;1H/t4-;/m0./s1",97.8956,19.88306,
9663,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[N:4]([H:12])[C:5]([H:13])([H:14])[C:6]1=[O:7])[H:8],[H:11][H:12].[O:1]([C@@:2]1([H:9])[C:3]([H:10])=[N:4][C:5]([H:13])([H:14])[C:6]1=[O:7])[H:8],"InChI=1S/C4H7NO2/c6-3-1-5-2-4(3)7/h3,5-6H,1-2H2/t3-/m0/s1","InChI=1S/C4H5NO2.H2/c6-3-1-5-2-4(3)7;/h1,3,6H,2H2;1H/t3-;/m0./s1",93.61276,22.18795,
9664,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[N:4]([H:12])[C:5]([H:13])([H:14])[C:6]1=[O:7])[H:8],[O:1]([C:2]1=[C:6]([O-:7])[C:5]([H:13])([H:14])[N+:4]([H:9])([H:12])[C:3]1([H:10])[H:11])[H:8],"InChI=1S/C4H7NO2/c6-3-1-5-2-4(3)7/h3,5-6H,1-2H2/t3-/m0/s1","InChI=1S/C4H7NO2/c6-3-1-5-2-4(3)7/h5-7H,1-2H2",48.40893,36.03732,
9665,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[N:4]([H:12])[C:5]([H:13])([H:14])[C:6]1=[O:7])[H:8],[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[N:4]([H:12])[C:5]([H:14])=[C:6]1[O:7][H:13])[H:8],"InChI=1S/C4H7NO2/c6-3-1-5-2-4(3)7/h3,5-6H,1-2H2/t3-/m0/s1","InChI=1S/C4H7NO2/c6-3-1-5-2-4(3)7/h1,4-7H,2H2/t4-/m0/s1",70.42959,9.33205,ketoenol
9666,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[N:4]([H:12])[C:5]([H:13])([H:14])[C:6]1=[O:7])[H:8],[H:8][H:9].[O:1]=[C:2]1[C:3]([H:10])([H:11])[N:4]([H:12])[C:5]([H:13])([H:14])[C:6]1=[O:7],"InChI=1S/C4H7NO2/c6-3-1-5-2-4(3)7/h3,5-6H,1-2H2/t3-/m0/s1","InChI=1S/C4H5NO2.H2/c6-3-1-5-2-4(3)7;/h5H,1-2H2;1H",83.50135999999999,23.64282,
9667,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[N:4]([H:12])[C:5]([H:13])([H:14])[C:6]1=[O:7])[H:8],[H:10][H:11].[O:1]([C@@:2]1([H:9])[C:3][N:4]([H:12])[C:5]([H:13])([H:14])[C:6]1=[O:7])[H:8],"InChI=1S/C4H7NO2/c6-3-1-5-2-4(3)7/h3,5-6H,1-2H2/t3-/m0/s1","InChI=1S/C4H5NO2.H2/c6-3-1-5-2-4(3)7;/h4-5,7H,1H2;1H/t4-;/m0./s1",69.73262,62.65521999999999,
9668,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[N:4]([H:12])[C:5]([H:13])([H:14])[C:6]1=[O:7])[H:8],[O:1]1[C@@:2]2([H:9])[C:3]([H:10])([H:11])[N:4]([H:12])[C:5]([H:13])([H:14])[C@@:6]12[O:7][H:8],"InChI=1S/C4H7NO2/c6-3-1-5-2-4(3)7/h3,5-6H,1-2H2/t3-/m0/s1","InChI=1S/C4H7NO2/c6-4-2-5-1-3(4)7-4/h3,5-6H,1-2H2/t3-,4+/m0/s1",47.90082,16.98765,
9669,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[N:4]([H:12])[C:5]([H:13])([H:14])[C:6]1=[O:7])[H:8],[O:1]([N+:4]1([H:12])[C:3]([H:10])([H:11])[C:2]([H:9])=[C:6]([O-:7])[C:5]1([H:13])[H:14])[H:8],"InChI=1S/C4H7NO2/c6-3-1-5-2-4(3)7/h3,5-6H,1-2H2/t3-/m0/s1","InChI=1S/C4H7NO2/c6-4-1-2-5(7)3-4/h1,6-7H,2-3H2",81.22103,63.85006,
9670,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[N:4]([H:12])[C:5]([H:13])([H:14])[C:6]1=[O:7])[H:8],[C:3](=[N:4][H:12])([H:10])[H:11].[O:1]([C@@:2]1([H:9])[C:6](=[C:5]([H:13])[H:14])[O:7]1)[H:8],"InChI=1S/C4H7NO2/c6-3-1-5-2-4(3)7/h3,5-6H,1-2H2/t3-/m0/s1","InChI=1S/C3H4O2.CH3N/c1-2-3(4)5-2;1-2/h3-4H,1H2;2H,1H2/t3-;/m1./s1",78.8754,50.69952,
9671,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[N:4]([H:12])[C:5]([H:13])([H:14])[C:6]1=[O:7])[H:8],[O:1](/[C:2](=[C:6]1/[C:5]([H:13])([H:14])[N:4]([H:12])[C:3]([H:10])([H:11])[O:7]1)[H:9])[H:8],"InChI=1S/C4H7NO2/c6-3-1-5-2-4(3)7/h3,5-6H,1-2H2/t3-/m0/s1","InChI=1S/C4H7NO2/c6-2-4-1-5-3-7-4/h2,5-6H,1,3H2/b4-2-",43.07262,12.32099,ketoenol
9672,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[N:4]([H:12])[C:5]([H:13])([H:14])[C:6]1=[O:7])[H:8],[O:1]([C@:2]1([H:9])[N:4]([C:3]([H:10])([H:11])[H:12])[C:5]([H:13])([H:14])[C:6]1=[O:7])[H:8],"InChI=1S/C4H7NO2/c6-3-1-5-2-4(3)7/h3,5-6H,1-2H2/t3-/m0/s1","InChI=1S/C4H7NO2/c1-5-2-3(6)4(5)7/h4,7H,2H2,1H3/t4-/m0/s1",82.63736999999999,16.028879999999997,
9673,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[N:4]([H:12])[C:5]([H:13])([H:14])[C:6]1=[O:7])[H:8],[C-:6]#[O+:7].[N:4](=[C:5]([H:13])[H:14])[H:12].[O:1]([C:2](=[C:3]([H:10])[H:11])[H:9])[H:8],"InChI=1S/C4H7NO2/c6-3-1-5-2-4(3)7/h3,5-6H,1-2H2/t3-/m0/s1","InChI=1S/C2H4O.CH3N.CO/c1-2-3;2*1-2/h2-3H,1H2;2H,1H2;",52.63655,28.16123,
9674,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[N:4]([H:12])[C:5]([H:13])([H:14])[C:6]1=[O:7])[H:8],[O:1]([C:3]([C@@:2]1([H:9])[N:4]([H:12])[C:5]([H:13])([H:14])[C:6]1=[O:7])([H:10])[H:11])[H:8],"InChI=1S/C4H7NO2/c6-3-1-5-2-4(3)7/h3,5-6H,1-2H2/t3-/m0/s1","InChI=1S/C4H7NO2/c6-2-3-4(7)1-5-3/h3,5-6H,1-2H2/t3-/m1/s1",89.30360999999999,16.94214,
9675,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[N:4]([H:12])[C:5]([H:13])([H:14])[C:6]1=[O:7])[H:8],[H:13][H:14].[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[N:4]([H:12])[C+:5]=[C:6]1[O-:7])[H:8],"InChI=1S/C4H7NO2/c6-3-1-5-2-4(3)7/h3,5-6H,1-2H2/t3-/m0/s1","InChI=1S/C4H5NO2.H2/c6-3-1-5-2-4(3)7;/h3,5-6H,1H2;1H/t3-;/m0./s1",67.90961999999999,57.26818000000001,
9676,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[N:4]([H:12])[C:5]([H:13])([H:14])[C:6]1=[O:7])[H:8],[C:5](=[C:6]=[O:7])([H:13])[H:14].[O:1](/[C:2](=[C:3](/[N:4]([H:10])[H:12])[H:11])[H:9])[H:8],"InChI=1S/C4H7NO2/c6-3-1-5-2-4(3)7/h3,5-6H,1-2H2/t3-/m0/s1","InChI=1S/C2H5NO.C2H2O/c3-1-2-4;1-2-3/h1-2,4H,3H2;1H2/b2-1+;",91.41523000000001,23.963060000000002,
9677,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[N:4]([H:12])[C:5]([H:13])([H:14])[C:6]1=[O:7])[H:8],[C:2]1([H:9])=[C:6]([O-:7])[C+:5]([H:14])[N:4]([H:12])[C:3]1([H:10])[H:11].[O:1]([H:8])[H:13],"InChI=1S/C4H7NO2/c6-3-1-5-2-4(3)7/h3,5-6H,1-2H2/t3-/m0/s1","InChI=1S/C4H5NO.H2O/c6-4-1-2-5-3-4;/h1,3,5H,2H2;1H2",61.905359999999995,28.05828,
9678,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[N:4]([H:12])[C:5]([H:13])([H:14])[C:6]1=[O:7])[H:8],[O:1]([C@@:2]1([H:9])[C:6]2([C:3]([H:10])([H:11])[N:4]([H:12])[C:5]2([H:13])[H:14])[O:7]1)[H:8],"InChI=1S/C4H7NO2/c6-3-1-5-2-4(3)7/h3,5-6H,1-2H2/t3-/m0/s1","InChI=1S/C4H7NO2/c6-3-4(7-3)1-5-2-4/h3,5-6H,1-2H2/t3-/m1/s1",79.77956999999999,37.28808,
9679,[C:1]([C:2]([C:3](=[O:4])[C:5]#[C:6][C:7]([H:13])([H:14])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3](=[O:4])[C:6](=[C:5])[C:7]([H:13])([H:14])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-3-5-6(7)4-2/h4H2,1-2H3","InChI=1S/C6H8O/c1-4-6(7)5(2)3/h4H2,1-2H3",50.3197,48.81968,
9680,[C:1]([C:2]([C:3](=[O:4])[C:5]#[C:6][C:7]([H:13])([H:14])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:6](=[C:5]=[C:3]=[O:4])[C:7]([H:13])([H:14])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-3-5-6(7)4-2/h4H2,1-2H3","InChI=1S/C6H8O/c1-3-6(2)4-5-7/h3H2,1-2H3",68.68724,-3.24967,
9681,[C:1]([C:2]([C:3](=[O:4])[C:5]#[C:6][C:7]([H:13])([H:14])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]#[C:5][C:6](=[O:4])[C:7]([H:13])([H:14])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-3-5-6(7)4-2/h4H2,1-2H3","InChI=1S/C6H8O/c1-3-4-5-6(2)7/h3H2,1-2H3",70.29825,0.96488,
9682,[C:1]([C:2]([C:3](=[O:4])[C:5]#[C:6][C:7]([H:13])([H:14])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](=[C:2]([H:11])[H:12])([H:9])[H:10].[C:3](=[O:4])([C:5]#[C:6][C:7]([H:13])([H:14])[H:15])[H:8],"InChI=1S/C6H8O/c1-3-5-6(7)4-2/h4H2,1-2H3","InChI=1S/C4H4O.C2H4/c1-2-3-4-5;1-2/h4H,1H3;1-2H2",79.938,31.09495,
9683,[C:1]([C:2]([C:3](=[O:4])[C:5]#[C:6][C:7]([H:13])([H:14])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](=[C:2]([H:11])[H:12])([H:9])[H:10].[C:3](=[O:4])=[C:5]=[C:6]([C:7]([H:13])([H:14])[H:15])[H:8],"InChI=1S/C6H8O/c1-3-5-6(7)4-2/h4H2,1-2H3","InChI=1S/C4H4O.C2H4/c1-2-3-4-5;1-2/h2H,1H3;1-2H2",39.83809,24.5665,Retroene
9684,[C:1]([C:2]([C:3](=[O:4])[C:5]#[C:6][C:7]([H:13])([H:14])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:4][C:3](=[C:2]([H:11])[H:12])[C:5]#[C:6][C:7]([H:13])([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-3-5-6(7)4-2/h4H2,1-2H3","InChI=1S/C6H8O/c1-4-5-6(2)7-3/h2H2,1,3H3",82.50973,20.2799,ketoenol
9685,[C:1]([C:2]([C:3](=[O:4])[C:5]#[C:6][C:7]([H:13])([H:14])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([O-:4])=[C+:5][C:6](=[C:7]([H:13])[H:15])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-3-5-6(7)4-2/h4H2,1-2H3","InChI=1S/C6H8O/c1-3-5-6(7)4-2/h3H,1,4H2,2H3",64.18485,45.222609999999996,
9686,[C:1]([C:2]([C:3](=[O:4])[C:5]#[C:6][C:7]([H:13])([H:14])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]1([H:9])([H:10])[C:2]([H:11])([H:12])[C:3]1([O:4][H:8])[C:5]#[C:6][C:7]([H:13])([H:14])[H:15],"InChI=1S/C6H8O/c1-3-5-6(7)4-2/h4H2,1-2H3","InChI=1S/C6H8O/c1-2-3-6(7)4-5-6/h7H,4-5H2,1H3",73.74695,22.56438,
9687,[C:1]([C:2]([C:3](=[O:4])[C:5]#[C:6][C:7]([H:13])([H:14])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([O:4][H:14])=[C:5]=[C:6]=[C:7]([H:13])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-3-5-6(7)4-2/h4H2,1-2H3","InChI=1S/C6H8O/c1-3-5-6(7)4-2/h7H,1,4H2,2H3",52.953019999999995,9.98277,
9688,[C:1]([C:2]([C:3](=[O:4])[C:5]#[C:6][C:7]([H:13])([H:14])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3](=[O:4])[C:5](=[C:6]=[C:7]([H:13])[H:15])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-3-5-6(7)4-2/h4H2,1-2H3","InChI=1S/C6H8O/c1-3-5-6(7)4-2/h5H,1,4H2,2H3",64.19096,-4.237419999999999,
9689,[C:1]([C:2]([C:3](=[O:4])[C:5]#[C:6][C:7]([H:13])([H:14])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3](=[C:5])[C:6](=[O:4])[C:7]([H:13])([H:14])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-3-5-6(7)4-2/h4H2,1-2H3","InChI=1S/C6H8O/c1-4-5(2)6(3)7/h4H2,1,3H3",70.24485,48.37579,
9690,[C:1]([C:2]([C:3](=[O:4])[C:5]#[C:6][C:7]([H:13])([H:14])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C@@:2]([C:3](=[O:4])[H:11])([C:5]#[C:6][C:7]([H:13])([H:14])[H:15])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-3-5-6(7)4-2/h4H2,1-2H3","InChI=1S/C6H8O/c1-3-4-6(2)5-7/h5-6H,1-2H3/t6-/m1/s1",78.13046999999999,6.52539,
9691,[C:1]([C:2]([C:3](=[O:4])[C:5]#[C:6][C:7]([H:13])([H:14])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C-:3]=[O+:4][C:5]#[C:6][C:7]([H:13])([H:14])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-3-5-6(7)4-2/h4H2,1-2H3","InChI=1S/C6H8O/c1-3-5-7-6-4-2/h3H2,1-2H3",97.85184,82.78627,
9692,[C:1]([C:2]([C:3](=[O:4])[C:5]#[C:6][C:7]([H:13])([H:14])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:12].[C@:2]12([H:11])[C:3](=[O:4])[C:5]1=[C:6]2[C:7]([H:13])([H:14])[H:15],"InChI=1S/C6H8O/c1-3-5-6(7)4-2/h4H2,1-2H3","InChI=1S/C5H4O.CH4/c1-2-3-4(2)5(3)6;/h3H,1H3;1H4/t3-;/m1./s1",81.28579,56.75011,
9693,[C:1]([C:2]([C:3](=[O:4])[C:5]#[C:6][C:7]([H:13])([H:14])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],[C-:5]#[C:6][C+:7]([H:13])[H:15].[C:1]([C:2]([C:3](=[O:4])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-3-5-6(7)4-2/h4H2,1-2H3","InChI=1S/C3H6O.C3H2/c1-2-3-4;1-3-2/h3H,2H2,1H3;1H2",97.10374,90.78057,
9694,[C:1]([C:2]([C:3](=[O:4])[C:5]#[C:6][C:7]([H:13])([H:14])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:12])[C:3](=[C:5]=[C:6]([C:7]([H:13])([H:14])[H:15])[H:11])[O:4]1)([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-3-5-6(7)4-2/h4H2,1-2H3","InChI=1S/C6H8O/c1-3-4-6-5(2)7-6/h3,5H,1-2H3/t4?,5-/m0/s1",74.84129,29.61175,
9695,[O:1]([C:2]([c:3]1[n:4][n:5]([H:11])[c:6]([H:12])[n:7]1)([H:9])[H:10])[H:8],[H:9][H:12].[O:1]([C:2](=[C:3]1[N-:4][N+:5]([H:11])=[C:6]=[N:7]1)[H:10])[H:8],"InChI=1S/C3H5N3O/c7-1-3-4-2-5-6-3/h2,7H,1H2,(H,4,5,6)","InChI=1S/C3H3N3O.H2/c7-1-3-4-2-5-6-3;/h1,5,7H;1H",132.29421000000002,76.97962,
9696,[O:1]([C:2]([c:3]1[n:4][n:5]([H:11])[c:6]([H:12])[n:7]1)([H:9])[H:10])[H:8],[O:1]([C:2]([C:3]1=[N:7][C:6]([H:11])([H:12])[N:5]=[N:4]1)([H:9])[H:10])[H:8],"InChI=1S/C3H5N3O/c7-1-3-4-2-5-6-3/h2,7H,1H2,(H,4,5,6)","InChI=1S/C3H5N3O/c7-1-3-4-2-5-6-3/h7H,1-2H2",48.99111,29.422220000000003,
9697,[O:1]([C:2]([c:3]1[n:4][n:5]([H:11])[c:6]([H:12])[n:7]1)([H:9])[H:10])[H:8],[O:1]=[C:2]([H:9])[H:10].[c:3]1([H:8])[n:4][n:5]([H:11])[c:6]([H:12])[n:7]1,"InChI=1S/C3H5N3O/c7-1-3-4-2-5-6-3/h2,7H,1H2,(H,4,5,6)","InChI=1S/C2H3N3.CH2O/c1-3-2-5-4-1;1-2/h1-2H,(H,3,4,5);1H2",80.18202,19.16122,
9698,[O:1]([C:2]([c:3]1[n:4][n:5]([H:11])[c:6]([H:12])[n:7]1)([H:9])[H:10])[H:8],[O:1]([N+:7]1=[C:6]([H:12])[N:5]([H:11])[N-:4][C:3]1=[C:2]([H:9])[H:10])[H:8],"InChI=1S/C3H5N3O/c7-1-3-4-2-5-6-3/h2,7H,1H2,(H,4,5,6)","InChI=1S/C3H4N3O/c1-3-5-4-2-6(3)7/h2,7H,1H2/q-1/p+1",79.96006,76.44892,
9699,[O:1]([C:2]([c:3]1[n:4][n:5]([H:11])[c:6]([H:12])[n:7]1)([H:9])[H:10])[H:8],[O:1]([C:2]([C:3](=[N:4][N:5]([H:11])[H:12])[N+:7]#[C-:6])([H:9])[H:10])[H:8],"InChI=1S/C3H5N3O/c7-1-3-4-2-5-6-3/h2,7H,1H2,(H,4,5,6)","InChI=1S/C3H5N3O/c1-5-3(2-7)6-4/h7H,2,4H2",68.45745,43.18718,
9700,[O:1]([C:2]([c:3]1[n:4][n:5]([H:11])[c:6]([H:12])[n:7]1)([H:9])[H:10])[H:8],[N:5](=[C:6]=[N:7][H:12])[H:11].[O:1]([C:2]([C:3]#[N:4])([H:9])[H:10])[H:8],"InChI=1S/C3H5N3O/c7-1-3-4-2-5-6-3/h2,7H,1H2,(H,4,5,6)","InChI=1S/C2H3NO.CH2N2/c3-1-2-4;2-1-3/h4H,2H2;2-3H",86.53499000000001,15.08402,
9701,[O:1]([C:2]([c:3]1[n:4][n:5]([H:11])[c:6]([H:12])[n:7]1)([H:9])[H:10])[H:8],[O:1]1[C:2]([H:9])([H:10])[C@@:3]12[N:4]([H:8])[N:5]([H:11])[C:6]([H:12])=[N:7]2,"InChI=1S/C3H5N3O/c7-1-3-4-2-5-6-3/h2,7H,1H2,(H,4,5,6)","InChI=1S/C3H5N3O/c1-3(7-1)4-2-5-6-3/h2,6H,1H2,(H,4,5)/t3-/m1/s1",55.32914,44.80339,
9702,[O:1]([C:2]([c:3]1[n:4][n:5]([H:11])[c:6]([H:12])[n:7]1)([H:9])[H:10])[H:8],[O:1]([C:2]([c:3]1[n:4]([H:11])[n:5][c:6]([H:12])[n:7]1)([H:9])[H:10])[H:8],"InChI=1S/C3H5N3O/c7-1-3-4-2-5-6-3/h2,7H,1H2,(H,4,5,6)","InChI=1S/C3H5N3O/c7-1-3-4-2-5-6-3/h2,7H,1H2,(H,4,5,6)",47.016870000000004,-1.3205,
9703,[O:1]([C:2]([c:3]1[n:4][n:5]([H:11])[c:6]([H:12])[n:7]1)([H:9])[H:10])[H:8],[O:1]([C:2]([C:3]1=[N:7][C@:6]1([N:5]([N:4])[H:11])[H:12])([H:9])[H:10])[H:8],"InChI=1S/C3H5N3O/c7-1-3-4-2-5-6-3/h2,7H,1H2,(H,4,5,6)","InChI=1S/C3H5N3O/c4-6-3-2(1-7)5-3/h3,6-7H,1H2/t3-/m0/s1",119.13928,82.61075,
9704,[O:1]([C:2]([c:3]1[n:4][n:5]([H:11])[c:6]([H:12])[n:7]1)([H:9])[H:10])[H:8],[O:1]([C:2]([N+:7]1=[C:3]=[N:4][N:5]([H:11])[C-:6]1[H:12])([H:9])[H:10])[H:8],"InChI=1S/C3H5N3O/c7-1-3-4-2-5-6-3/h2,7H,1H2,(H,4,5,6)","InChI=1S/C3H5N3O/c7-3-6-1-4-5-2-6/h1,4,7H,3H2",91.03066,48.182629999999996,
9705,[O:1]([C:2]([c:3]1[n:4][n:5]([H:11])[c:6]([H:12])[n:7]1)([H:9])[H:10])[H:8],[O:1]([C:2]([N:7]=[C:3]=[N:4][N:5]([C:6][H:12])[H:11])([H:9])[H:10])[H:8],"InChI=1S/C3H5N3O/c7-1-3-4-2-5-6-3/h2,7H,1H2,(H,4,5,6)","InChI=1S/C3H5N3O/c1-4-6-2-5-3-7/h1,4,7H,3H2",126.20716000000002,86.17797,
9706,[O:1]([C:2]([c:3]1[n:4][n:5]([H:11])[c:6]([H:12])[n:7]1)([H:9])[H:10])[H:8],[O:1]([C+:2]([C:3]1=[N:4][N:5]([H:11])[C:6]([H:9])([H:12])[N-:7]1)[H:10])[H:8],"InChI=1S/C3H5N3O/c7-1-3-4-2-5-6-3/h2,7H,1H2,(H,4,5,6)","InChI=1S/C3H5N3O/c7-1-3-4-2-5-6-3/h1,5,7H,2H2",95.05715,56.90361,
9707,[O:1]([C:2]([c:3]1[n:4][n:5]([H:11])[c:6]([H:12])[n:7]1)([H:9])[H:10])[H:8],[C:6](#[N:7])[H:12].[O:1]([C:2]([C:3]#[N+:4][N-:5][H:11])([H:9])[H:10])[H:8],"InChI=1S/C3H5N3O/c7-1-3-4-2-5-6-3/h2,7H,1H2,(H,4,5,6)","InChI=1S/C2H4N2O.CHN/c3-4-1-2-5;1-2/h3,5H,2H2;1H",70.89598000000001,68.42671,
9708,[O:1]([C:2]([c:3]1[n:4][n:5]([H:11])[c:6]([H:12])[n:7]1)([H:9])[H:10])[H:8],[O:1]([C:2]([C:3]1=[N:4][N:7]1/[C:6](=[N:5]/[H:11])[H:12])([H:9])[H:10])[H:8],"InChI=1S/C3H5N3O/c7-1-3-4-2-5-6-3/h2,7H,1H2,(H,4,5,6)","InChI=1S/C3H5N3O/c4-2-6-3(1-7)5-6/h2,4,7H,1H2/b4-2+",73.81730999999999,67.95465,
9709,[O:1]([C:2]([c:3]1[n:4][n:5]([H:11])[c:6]([H:12])[n:7]1)([H:9])[H:10])[H:8],[O:1]1[C:2]([H:9])([H:10])[C:3](/[N:7]=[C:6](\[N:5]([H:8])[H:11])[H:12])=[N:4]1,"InChI=1S/C3H5N3O/c7-1-3-4-2-5-6-3/h2,7H,1H2,(H,4,5,6)","InChI=1S/C3H5N3O/c4-2-5-3-1-7-6-3/h2H,1H2,(H2,4,5,6)",74.43945,44.25775,
9710,[O:1]([C:2]([c:3]1[n:4][n:5]([H:11])[c:6]([H:12])[n:7]1)([H:9])[H:10])[H:8],[O:1](/[C:2](=[C:3]1/[N:4]([H:9])[N:5]([H:11])[C:6]([H:12])=[N:7]1)[H:10])[H:8],"InChI=1S/C3H5N3O/c7-1-3-4-2-5-6-3/h2,7H,1H2,(H,4,5,6)","InChI=1S/C3H5N3O/c7-1-3-4-2-5-6-3/h1-2,6-7H,(H,4,5)/b3-1+",77.39551999999999,27.387390000000003,
9711,[O:1]([C:2]([c:3]1[n:4][n:5]([H:11])[c:6]([H:12])[n:7]1)([H:9])[H:10])[H:8],[O:1](/[N:7]=[C:3]1\[C:2]([H:9])([H:10])[N:4]1[N:5]([C:6][H:12])[H:11])[H:8],"InChI=1S/C3H5N3O/c7-1-3-4-2-5-6-3/h2,7H,1H2,(H,4,5,6)","InChI=1S/C3H5N3O/c1-4-6-2-3(6)5-7/h1,4,7H,2H2/b5-3+",162.24768,138.05558,
9712,[O:1]([C:2]([c:3]1[n:4][n:5]([H:11])[c:6]([H:12])[n:7]1)([H:9])[H:10])[H:8],[O:1](/[N:4]=[C:3]1\[C:2]([H:9])([H:10])[N:7]1/[C:6](=[N:5]/[H:11])[H:12])[H:8],"InChI=1S/C3H5N3O/c7-1-3-4-2-5-6-3/h2,7H,1H2,(H,4,5,6)","InChI=1S/C3H5N3O/c4-2-6-1-3(6)5-7/h2,4,7H,1H2/b4-2+,5-3+",104.0726,70.64395999999999,
9713,[O:1]([C:2]([c:3]1[n:4][n:5]([H:11])[c:6]([H:12])[n:7]1)([H:9])[H:10])[H:8],[O:1]([C:2]([C:3](=[N:4][H:12])[N:7]=[C:6]=[N:5][H:11])([H:9])[H:10])[H:8],"InChI=1S/C3H5N3O/c7-1-3-4-2-5-6-3/h2,7H,1H2,(H,4,5,6)","InChI=1S/C3H5N3O/c4-2-6-3(5)1-7/h4-5,7H,1H2",126.32128,1.9524099999999998,
9714,[O:1]([C:2]([c:3]1[n:4][n:5]([H:11])[c:6]([H:12])[n:7]1)([H:9])[H:10])[H:8],[O:1]([C:2](=[C:3]1[N-:4][N:5]([H:11])[C+:6]([H:12])[N:7]1[H:9])[H:10])[H:8],"InChI=1S/C3H5N3O/c7-1-3-4-2-5-6-3/h2,7H,1H2,(H,4,5,6)","InChI=1S/C3H5N3O/c7-1-3-4-2-5-6-3/h1-2,4-5,7H",78.04836999999999,49.69872,
9715,[O:1]([C:2]([c:3]1[n:4][n:5]([H:11])[c:6]([H:12])[n:7]1)([H:9])[H:10])[H:8],[O:1]([C:2]([c:3]1[n:4][n:5]([H:11])[c-:6][n+:7]1[H:12])([H:9])[H:10])[H:8],"InChI=1S/C3H5N3O/c7-1-3-4-2-5-6-3/h2,7H,1H2,(H,4,5,6)","InChI=1S/C3H5N3O/c7-1-3-4-2-5-6-3/h4,7H,1H2,(H,5,6)",69.66847,28.75935,
9716,[O:1]([C:2]([c:3]1[n:4][n:5]([H:11])[c:6]([H:12])[n:7]1)([H:9])[H:10])[H:8],[O:1]([C:2]([N:4]=[C:3]=[N:7][C:6](=[N:5][H:11])[H:12])([H:9])[H:10])[H:8],"InChI=1S/C3H5N3O/c7-1-3-4-2-5-6-3/h2,7H,1H2,(H,4,5,6)","InChI=1S/C3H5N3O/c4-1-5-2-6-3-7/h1,4,7H,3H2",68.20801999999999,12.65136,
9717,[O:1]([C:2]([c:3]1[n:4][n:5]([H:11])[c:6]([H:12])[n:7]1)([H:9])[H:10])[H:8],[O:1]([C:2](=[C:3]1[N-:4][N+:5]([H:9])([H:11])[C:6]([H:12])=[N:7]1)[H:10])[H:8],"InChI=1S/C3H5N3O/c7-1-3-4-2-5-6-3/h2,7H,1H2,(H,4,5,6)","InChI=1S/C3H5N3O/c7-1-3-4-2-5-6-3/h1-2,7H,5H2",95.08255,62.905590000000004,
9718,[O:1]([C:2]([c:3]1[n:4][n:5]([H:11])[c:6]([H:12])[n:7]1)([H:9])[H:10])[H:8],[O:1][C:2]([C:3]1=[N:7][C:6]([H:8])([H:12])[N:5]([H:11])[N:4]1)([H:9])[H:10],"InChI=1S/C3H5N3O/c7-1-3-4-2-5-6-3/h2,7H,1H2,(H,4,5,6)","InChI=1S/C3H5N3O/c7-1-3-4-2-5-6-3/h5H,1-2H2",93.80113,73.74077,
9719,[O:1]([C:2]([c:3]1[n:4][n:5]([H:11])[c:6]([H:12])[n:7]1)([H:9])[H:10])[H:8],[C+:2](=[C:3]1[N-:4][N:5]([H:11])[C:6]([H:12])=[N:7]1)[H:10].[O:1]([H:8])[H:9],"InChI=1S/C3H5N3O/c7-1-3-4-2-5-6-3/h2,7H,1H2,(H,4,5,6)","InChI=1S/C3H3N3.H2O/c1-3-4-2-5-6-3;/h1-2H,(H,4,5);1H2",71.81705,84.24433,
9720,[O:1]([C:2]([c:3]1[n:4][n:5]([H:11])[c:6]([H:12])[n:7]1)([H:9])[H:10])[H:8],[O:1]([C:2](/[C:3](=[N:4]/[H:11])[N:7]1[N:5]=[C:6]1[H:12])([H:9])[H:10])[H:8],"InChI=1S/C3H5N3O/c7-1-3-4-2-5-6-3/h2,7H,1H2,(H,4,5,6)","InChI=1S/C3H5N3O/c4-3(1-7)6-2-5-6/h2,4,7H,1H2/b4-3-",74.135,65.80598,
9721,[O:1]([C:2]([c:3]1[n:4][n:5]([H:11])[c:6]([H:12])[n:7]1)([H:9])[H:10])[H:8],[H:9][H:11].[O:1](/[C:2](=[C:3]1\[N:4]=[N:5][C:6]([H:12])=[N:7]1)[H:10])[H:8],"InChI=1S/C3H5N3O/c7-1-3-4-2-5-6-3/h2,7H,1H2,(H,4,5,6)","InChI=1S/C3H3N3O.H2/c7-1-3-4-2-5-6-3;/h1-2,7H;1H/b3-1-;",97.99706,36.520759999999996,
9722,[O:1]([C:2]([c:3]1[n:4][n:5]([H:11])[c:6]([H:12])[n:7]1)([H:9])[H:10])[H:8],[O:1]([C:3]1=[N:4][N:5]([H:11])[C:6]([H:12])=[N:7][C:2]1([H:9])[H:10])[H:8],"InChI=1S/C3H5N3O/c7-1-3-4-2-5-6-3/h2,7H,1H2,(H,4,5,6)","InChI=1S/C3H5N3O/c7-3-1-4-2-5-6-3/h2H,1H2,(H,4,5)(H,6,7)",110.01135,9.686589999999999,
9723,[N:1]([c:2]1[c:3]([H:10])[o:4][c:5](=[O:6])[n:7]1[H:11])([H:8])[H:9],[N:1]([C@@:2]1([H:10])[C-:3]=[O+:4][C:5](=[O:6])[N:7]1[H:11])([H:8])[H:9],"InChI=1S/C3H4N2O2/c4-2-1-7-3(6)5-2/h1H,4H2,(H,5,6)","InChI=1S/C3H4N2O2/c4-2-1-7-3(6)5-2/h2H,4H2,(H,5,6)/t2-/m1/s1",58.99416,49.91153,Singlet_Carbene_Intra_Disproportionation
9724,[N:1]([c:2]1[c:3]([H:10])[o:4][c:5](=[O:6])[n:7]1[H:11])([H:8])[H:9],[N:1]([C@:2]([C:3](=[O:4])[H:10])([N:7]=[C:5]=[O:6])[H:11])([H:8])[H:9],"InChI=1S/C3H4N2O2/c4-2-1-7-3(6)5-2/h1H,4H2,(H,5,6)","InChI=1S/C3H4N2O2/c4-3(1-6)5-2-7/h1,3H,4H2/t3-/m0/s1",60.055719999999994,6.73568,
9725,[N:1]([c:2]1[c:3]([H:10])[o:4][c:5](=[O:6])[n:7]1[H:11])([H:8])[H:9],[C-:5]#[O+:6].[N:1]([C+:2]([C:3](=[O:4])[H:10])[N-:7][H:11])([H:8])[H:9],"InChI=1S/C3H4N2O2/c4-2-1-7-3(6)5-2/h1H,4H2,(H,5,6)","InChI=1S/C2H4N2O.CO/c3-2(4)1-5;1-2/h1,3H,4H2;",46.334179999999996,24.18112,
9726,[N:1]([c:2]1[c:3]([H:10])[o:4][c:5](=[O:6])[n:7]1[H:11])([H:8])[H:9],[N-:1]([C:2]1=[C:3]([H:10])[O:4][C:5](=[O:6])[N+:7]1([H:8])[H:11])[H:9],"InChI=1S/C3H4N2O2/c4-2-1-7-3(6)5-2/h1H,4H2,(H,5,6)","InChI=1S/C3H3N2O2/c4-2-1-7-3(6)5-2/h1,4H,(H,5,6)/q-1/p+1",70.87916,50.9832,
9727,[N:1]([c:2]1[c:3]([H:10])[o:4][c:5](=[O:6])[n:7]1[H:11])([H:8])[H:9],[N+:1]([c:2]1[c-:3][o:4][c:5](=[O:6])[n:7]1[H:11])([H:8])([H:9])[H:10],"InChI=1S/C3H4N2O2/c4-2-1-7-3(6)5-2/h1H,4H2,(H,5,6)","InChI=1S/C3H3N2O2/c4-2-1-7-3(6)5-2/h4H2,(H,5,6)/q-1/p+1",76.66816,73.15395,
9728,[N:1]([c:2]1[c:3]([H:10])[o:4][c:5](=[O:6])[n:7]1[H:11])([H:8])[H:9],[N:1]([C:3](=[C:2]=[N:7][H:11])[H:10])([H:8])[H:9].[O:4]=[C:5]=[O:6],"InChI=1S/C3H4N2O2/c4-2-1-7-3(6)5-2/h1H,4H2,(H,5,6)","InChI=1S/C2H4N2.CO2/c3-1-2-4;2-1-3/h1,4H,3H2;",65.05691999999999,15.78835,
9729,[N:1]([c:2]1[c:3]([H:10])[o:4][c:5](=[O:6])[n:7]1[H:11])([H:8])[H:9],[N:1]([C:2]([C@@:3]1([H:10])[O:4][C:5]1=[O:6])=[N:7][H:11])([H:8])[H:9],"InChI=1S/C3H4N2O2/c4-2-1-7-3(6)5-2/h1H,4H2,(H,5,6)","InChI=1S/C3H4N2O2/c4-2(5)1-3(6)7-1/h1H,(H3,4,5)/t1-/m1/s1",60.7854,28.951909999999998,
9730,[N:1]([c:2]1[c:3]([H:10])[o:4][c:5](=[O:6])[n:7]1[H:11])([H:8])[H:9],[N:1]([c:2]1[c:3]([H:10])[o:4][c:5]([O:6][H:11])[n:7]1)([H:8])[H:9],"InChI=1S/C3H4N2O2/c4-2-1-7-3(6)5-2/h1H,4H2,(H,5,6)","InChI=1S/C3H4N2O2/c4-2-1-7-3(6)5-2/h1H,4H2,(H,5,6)",49.70458,6.53915,ketoenol
9731,[N:1]([c:2]1[c:3]([H:10])[o:4][c:5](=[O:6])[n:7]1[H:11])([H:8])[H:9],[C:5](=[O:6])=[N:7][H:11].[N:1]([C+:2]=[C:3]([O-:4])[H:10])([H:8])[H:9],"InChI=1S/C3H4N2O2/c4-2-1-7-3(6)5-2/h1H,4H2,(H,5,6)","InChI=1S/C2H3NO.CHNO/c3-1-2-4;2-1-3/h2H,3H2;2H",47.035109999999996,51.08933,
9732,[N:1]([c:2]1[c:3]([H:10])[o:4][c:5](=[O:6])[n:7]1[H:11])([H:8])[H:9],[N:1]([C+:2]([C:3]1([H:10])[O+:4]=[C-:5][O:6]1)[N-:7][H:11])([H:8])[H:9],"InChI=1S/C3H4N2O2/c4-2-1-7-3(6)5-2/h1H,4H2,(H,5,6)","InChI=1S/C3H4N2O2/c4-2(5)3-6-1-7-3/h3-4H,5H2",95.90481,69.86702,
9733,[N:1]([c:2]1[c:3]([H:10])[o:4][c:5](=[O:6])[n:7]1[H:11])([H:8])[H:9],[N:1]([C@@:2]1([C:3](=[O:4])[H:10])[C:5](=[O:6])[N:7]1[H:11])([H:8])[H:9],"InChI=1S/C3H4N2O2/c4-2-1-7-3(6)5-2/h1H,4H2,(H,5,6)","InChI=1S/C3H4N2O2/c4-3(1-6)2(7)5-3/h1H,4H2,(H,5,7)/t3-/m1/s1",52.019870000000004,38.33647,ketoenol
9734,[N:1]([c:2]1[c:3]([H:10])[o:4][c:5](=[O:6])[n:7]1[H:11])([H:8])[H:9],[N:1]([C@@:3]1([H:10])[C-:2]=[N+:7]([H:11])[C:5](=[O:6])[O:4]1)([H:8])[H:9],"InChI=1S/C3H4N2O2/c4-2-1-7-3(6)5-2/h1H,4H2,(H,5,6)","InChI=1S/C3H4N2O2/c4-2-1-5-3(6)7-2/h2,5H,4H2/t2-/m1/s1",63.03321999999999,37.98254,
9735,[N:1]([c:2]1[c:3]([H:10])[o:4][c:5](=[O:6])[n:7]1[H:11])([H:8])[H:9],[N+:1]1([H:8])([H:9])[C@:2]2([C-:3]1[H:10])[O:4][C:5](=[O:6])[N:7]2[H:11],"InChI=1S/C3H4N2O2/c4-2-1-7-3(6)5-2/h1H,4H2,(H,5,6)","InChI=1S/C3H4N2O2/c6-2-5-3(7-2)1-4-3/h1H,4H2,(H,5,6)/t3-/m0/s1",91.38894,80.40059000000001,
9736,[N:1]([c:2]1[c:3]([H:10])[o:4][c:5](=[O:6])[n:7]1[H:11])([H:8])[H:9],[N+:1]([c:2]1[c:3]([H:10])[o:4][c+:5]([O-:6])[n-:7]1)([H:8])([H:9])[H:11],"InChI=1S/C3H4N2O2/c4-2-1-7-3(6)5-2/h1H,4H2,(H,5,6)","InChI=1S/C3H3N2O2/c4-2-1-7-3(6)5-2/h1H,4H2/q-1/p+1",51.105509999999995,43.81613,
9737,[N:1]([c:2]1[c:3]([H:10])[o:4][c:5](=[O:6])[n:7]1[H:11])([H:8])[H:9],[N:1]([C:2]1=[C:3]([H:10])[N:7]1[H:11])([H:8])[H:9].[O:4]=[C:5]=[O:6],"InChI=1S/C3H4N2O2/c4-2-1-7-3(6)5-2/h1H,4H2,(H,5,6)","InChI=1S/C2H4N2.CO2/c3-2-1-4-2;2-1-3/h1,4H,3H2;",67.56205,56.12223,
9738,[N:1]([c:2]1[c:3]([H:10])[o:4][c:5](=[O:6])[n:7]1[H:11])([H:8])[H:9],[N+:1]1([H:8])([H:9])[C:2]([N:7]([C:5]([O:4][H:10])=[O:6])[H:11])=[C-:3]1,"InChI=1S/C3H4N2O2/c4-2-1-7-3(6)5-2/h1H,4H2,(H,5,6)","InChI=1S/C3H4N2O2/c6-3(7)5-2-1-4-2/h5H,4H2,(H,6,7)",80.01451999999999,75.83488,
9739,[N:1]([c:2]1[c:3]([H:10])[o:4][c:5](=[O:6])[n:7]1[H:11])([H:8])[H:9],[N:1]([C:2]1=[C-:3][N+:7]1([C:5]([O:4][H:10])=[O:6])[H:11])([H:8])[H:9],"InChI=1S/C3H4N2O2/c4-2-1-7-3(6)5-2/h1H,4H2,(H,5,6)","InChI=1S/C3H4N2O2/c4-2-1-5(2)3(6)7/h5H,4H2,(H,6,7)",80.01588000000001,74.61475,
9740,[N:1]([c:2]1[c:3]([H:10])[o:4][c:5](=[O:6])[n:7]1[H:11])([H:8])[H:9],[N:1](=[C:2]1/[C:3]([H:9])([H:10])[O:4][C:5](=[O:6])[N:7]1[H:11])\[H:8],"InChI=1S/C3H4N2O2/c4-2-1-7-3(6)5-2/h1H,4H2,(H,5,6)","InChI=1S/C3H4N2O2/c4-2-1-7-3(6)5-2/h1H2,(H2,4,5,6)",56.91771,-9.52797,
9741,[N:1]([c:2]1[c:3]([H:10])[o:4][c:5](=[O:6])[n:7]1[H:11])([H:8])[H:9],[N:1]([c:2]1[c-:3][o+:4][c:5]([O:6][H:10])[n:7]1[H:11])([H:8])[H:9],"InChI=1S/C3H4N2O2/c4-2-1-7-3(6)5-2/h1H,4H2,(H,5,6)","InChI=1S/C3H4N2O2/c4-2-1-7-3(6)5-2/h5-6H,4H2",132.53196,61.430980000000005,
9742,[N:1]([c:2]1[c:3]([H:10])[o:4][c:5](=[O:6])[n:7]1[H:11])([H:8])[H:9],[N:1](/[C:2]([C:3](=[O:4])[H:10])=[N:7]/[C:5](=[O:6])[H:11])([H:8])[H:9],"InChI=1S/C3H4N2O2/c4-2-1-7-3(6)5-2/h1H,4H2,(H,5,6)","InChI=1S/C3H4N2O2/c4-3(1-6)5-2-7/h1-2H,(H2,4,5,7)",61.701,13.9815,
9743,[N:1]([c:2]1[c:3]([H:10])[o:4][c:5](=[O:6])[n:7]1[H:11])([H:8])[H:9],[N:1]([C:2]/[C:3](=[N:7]\[H:11])[H:10])([H:8])[H:9].[O:4]=[C:5]=[O:6],"InChI=1S/C3H4N2O2/c4-2-1-7-3(6)5-2/h1H,4H2,(H,5,6)","InChI=1S/C2H4N2.CO2/c3-1-2-4;2-1-3/h1,3H,4H2;/b3-1-;",96.82099000000001,39.19601,
9744,[O:1]=[C:2]1[C:3]([H:8])([H:9])[N:4]2[C:5]([H:10])([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14],[O:1]([C:2]1=[C:7]2[N:4]([C:3]1([H:8])[H:9])[C:5]([H:10])([H:11])[C:6]2([H:12])[H:13])[H:14],"InChI=1S/C5H7NO/c7-5-3-6-2-1-4(5)6/h4H,1-3H2/t4-/m0/s1","InChI=1S/C5H7NO/c7-5-3-6-2-1-4(5)6/h7H,1-3H2",81.42764,31.33432,ketoenol
9745,[O:1]=[C:2]1[C:3]([H:8])([H:9])[N:4]2[C:5]([H:10])([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14],[O:1]1[C@@:2]23[C:3]([H:8])([H:9])[N+:4]2([C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])[C-:7]3[H:14],"InChI=1S/C5H7NO/c7-5-3-6-2-1-4(5)6/h4H,1-3H2/t4-/m0/s1","InChI=1S/C5H7NO/c1-2-7-5-3-6(1,5)4-5/h3H,1-2,4H2/t5-,6?/m0/s1",95.78697,72.45634,
9746,[O:1]=[C:2]1[C:3]([H:8])([H:9])[N:4]2[C:5]([H:10])([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14],[O:1]=[C:2]([C:3]([H:8])([H:9])[H:11])[C@@:7]1([H:14])[N:4]=[C:5]([H:10])[C:6]1([H:12])[H:13],"InChI=1S/C5H7NO/c7-5-3-6-2-1-4(5)6/h4H,1-3H2/t4-/m0/s1","InChI=1S/C5H7NO/c1-4(7)5-2-3-6-5/h3,5H,2H2,1H3/t5-/m0/s1",112.95936,-17.30835,
9747,[O:1]=[C:2]1[C:3]([H:8])([H:9])[N:4]2[C:5]([H:10])([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14],[O:1]=[C:2]([C@@:7]1([H:14])[N+:4]([C-:3]([H:8])[H:9])=[C:5]([H:11])[C:6]1([H:12])[H:13])[H:10],"InChI=1S/C5H7NO/c7-5-3-6-2-1-4(5)6/h4H,1-3H2/t4-/m0/s1","InChI=1S/C5H7NO/c1-6-3-2-5(6)4-7/h3-5H,1-2H2/t5-/m0/s1",46.6493,20.62567,
9748,[O:1]=[C:2]1[C:3]([H:8])([H:9])[N:4]2[C:5]([H:10])([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14],[O-:1][C:2]1=[C:3]([H:9])[N+:4]2([H:8])[C:5]([H:10])([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14],"InChI=1S/C5H7NO/c7-5-3-6-2-1-4(5)6/h4H,1-3H2/t4-/m0/s1","InChI=1S/C5H7NO/c7-5-3-6-2-1-4(5)6/h3-4,7H,1-2H2/t4-/m0/s1",53.61563,18.0057,
9749,[O:1]=[C:2]1[C:3]([H:8])([H:9])[N:4]2[C:5]([H:10])([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14],[C:5](=[C:6]([H:12])[H:13])([H:10])[H:11].[O:1]=[C:2]1[C:3]([H:8])([H:9])[N:4]=[C:7]1[H:14],"InChI=1S/C5H7NO/c7-5-3-6-2-1-4(5)6/h4H,1-3H2/t4-/m0/s1","InChI=1S/C3H3NO.C2H4/c5-3-1-4-2-3;1-2/h1H,2H2;1-2H2",71.80445999999999,9.47888,
9750,[O:1]=[C:2]1[C:3]([H:8])([H:9])[N:4]2[C:5]([H:10])([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14],[O:1]1[C@@:2]2([C:3]([H:8])([H:9])[N+:4]([C-:5]([H:10])[H:11])=[C:7]2[H:14])[C:6]1([H:12])[H:13],"InChI=1S/C5H7NO/c7-5-3-6-2-1-4(5)6/h4H,1-3H2/t4-/m0/s1","InChI=1S/C5H7NO/c1-6-2-5(3-6)4-7-5/h2H,1,3-4H2/t5-/m0/s1",89.83816,38.484629999999996,
9751,[O:1]=[C:2]1[C:3]([H:8])([H:9])[N:4]2[C:5]([H:10])([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14],[C-:3]([N+:4]1=[C:7]([H:14])[C:6]([H:12])([H:13])[C:5]1([H:10])[H:11])([H:8])[H:9].[O+:1]#[C-:2],"InChI=1S/C5H7NO/c7-5-3-6-2-1-4(5)6/h4H,1-3H2/t4-/m0/s1","InChI=1S/C4H7N.CO/c1-5-3-2-4-5;1-2/h3H,1-2,4H2;",25.23999,19.47853,
9752,[O:1]=[C:2]1[C:3]([H:8])([H:9])[N:4]2[C:5]([H:10])([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14],[O:1]([C:2]1=[C:3]([H:9])[N:4]2[C:5]([H:10])([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14])[H:8],"InChI=1S/C5H7NO/c7-5-3-6-2-1-4(5)6/h4H,1-3H2/t4-/m0/s1","InChI=1S/C5H7NO/c7-5-3-6-2-1-4(5)6/h3-4,7H,1-2H2/t4-/m0/s1",75.84131,12.96139,ketoenol
9753,[O:1]=[C:2]1[C:3]([H:8])([H:9])[N:4]2[C:5]([H:10])([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14],[H:11][H:12].[O:1]=[C:2]1[C:3]([H:8])([H:9])[N:4]2[C:5]([H:10])=[C:6]([H:13])[C@@:7]12[H:14],"InChI=1S/C5H7NO/c7-5-3-6-2-1-4(5)6/h4H,1-3H2/t4-/m0/s1","InChI=1S/C5H5NO.H2/c7-5-3-6-2-1-4(5)6;/h1-2,4H,3H2;1H/t4-;/m0./s1",104.24455,31.51085,
9754,[O:1]=[C:2]1[C:3]([H:8])([H:9])[N:4]2[C:5]([H:10])([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14],[N:4]1=[C:7]([H:14])[C:6]([H:12])([H:13])[C:5]1([H:10])[H:11].[O:1]=[C:2]=[C:3]([H:8])[H:9],"InChI=1S/C5H7NO/c7-5-3-6-2-1-4(5)6/h4H,1-3H2/t4-/m0/s1","InChI=1S/C3H5N.C2H2O/c1-2-4-3-1;1-2-3/h2H,1,3H2;1H2",36.36971,6.68035,
9755,[O:1]=[C:2]1[C:3]([H:8])([H:9])[N:4]2[C:5]([H:10])([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14],[O-:1][C@@:2]1([H:14])[C:3]([H:8])([H:9])[N+:4]2=[C:7]1[C:6]([H:12])([H:13])[C:5]2([H:10])[H:11],"InChI=1S/C5H7NO/c7-5-3-6-2-1-4(5)6/h4H,1-3H2/t4-/m0/s1","InChI=1S/C5H7NO/c7-5-3-6-2-1-4(5)6/h5H,1-3H2/t5-/m0/s1",65.0173,51.79522,
9756,[O:1]=[C:2]1[C:3]([H:8])([H:9])[N:4]2[C:5]([H:10])([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14],[O:1]([C-:2]1[C:3]([H:8])([H:9])[N+:4]2=[C:5]([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14])[H:10],"InChI=1S/C5H7NO/c7-5-3-6-2-1-4(5)6/h4H,1-3H2/t4-/m0/s1","InChI=1S/C5H7NO/c7-5-3-6-2-1-4(5)6/h2,4,7H,1,3H2/t4-/m0/s1",69.46802,64.06644,
9757,[O:1]=[C:2]1[C:3]([H:8])([H:9])[N:4]2[C:5]([H:10])([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14],[O:1]=[C:2]=[C:7]([C:6]([C:5]([N:4]=[C:3]([H:8])[H:9])([H:10])[H:11])([H:12])[H:13])[H:14],"InChI=1S/C5H7NO/c7-5-3-6-2-1-4(5)6/h4H,1-3H2/t4-/m0/s1","InChI=1S/C5H7NO/c1-6-4-2-3-5-7/h3H,1-2,4H2",22.0196,-17.76524,
9758,[O:1]=[C:2]1[C:3]([H:8])([H:9])[N:4]2[C:5]([H:10])([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14],[O:1]=[C:2]([C:3]([N:4]1[C:5]([H:10])([H:11])[C:6]([H:13])=[C:7]1[H:14])([H:8])[H:9])[H:12],"InChI=1S/C5H7NO/c7-5-3-6-2-1-4(5)6/h4H,1-3H2/t4-/m0/s1","InChI=1S/C5H7NO/c7-5-4-6-2-1-3-6/h1-2,5H,3-4H2",68.91318000000001,4.83666,
9759,[O:1]=[C:2]1[C:3]([H:8])([H:9])[N:4]2[C:5]([H:10])([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14],[O:1]=[C:2]1[C:3]([H:8])([H:9])[N+:4]2([H:12])[C:5]([H:10])([H:11])[C-:6]([H:13])[C@@:7]12[H:14],"InChI=1S/C5H7NO/c7-5-3-6-2-1-4(5)6/h4H,1-3H2/t4-/m0/s1","InChI=1S/C5H6NO/c7-5-3-6-2-1-4(5)6/h1,4H,2-3H2/q-1/p+1/t4-/m0/s1",100.36357,96.8215,
9760,[O:1]=[C:2]1[C:3]([H:8])([H:9])[N:4]2[C:5]([H:10])([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14],[O:1]=[C:2]1[C:3]([H:8])([H:9])[N+:4]2([H:11])[C-:5]([H:10])[C:6]([H:12])([H:13])[C@@:7]12[H:14],"InChI=1S/C5H7NO/c7-5-3-6-2-1-4(5)6/h4H,1-3H2/t4-/m0/s1","InChI=1S/C5H7NO/c7-5-3-6-2-1-4(5)6/h2,4,6H,1,3H2/t4-/m0/s1",71.84625,56.860730000000004,
9761,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]12[C:4]([H:12])([H:13])[C@@:5]1([H:14])[O:6][C@@:7]21[H:15],[C:1](=[C:2]([H:10])[H:11])([H:8])[H:9].[C:3]12=[C:7]([H:15])[O:6][C@:5]1([H:14])[C:4]2([H:12])[H:13],"InChI=1S/C6H8O/c1-2-6(1)3-4-5(6)7-4/h4-5H,1-3H2/t4-,5-/m1/s1","InChI=1S/C4H4O.C2H4/c1-3-2-5-4(1)3;1-2/h2,4H,1H2;1-2H2/t4-;/m1./s1",64.13622,63.52579,
9762,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]12[C:4]([H:12])([H:13])[C@@:5]1([H:14])[O:6][C@@:7]21[H:15],[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]12[C:4]([H:12])([H:13])[C:5][C@:7]2([O:6][H:14])[H:15],"InChI=1S/C6H8O/c1-2-6(1)3-4-5(6)7-4/h4-5H,1-3H2/t4-,5-/m1/s1","InChI=1S/C6H8O/c7-5-1-2-6(5)3-4-6/h5,7H,2-4H2/t5-/m1/s1",61.905159999999995,61.01622,
9763,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]12[C:4]([H:12])([H:13])[C@@:5]1([H:14])[O:6][C@@:7]21[H:15],[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]12[C:4]([H:12])([H:13])[C@:5]([O:6][H:15])([H:14])[C:7]2,"InChI=1S/C6H8O/c1-2-6(1)3-4-5(6)7-4/h4-5H,1-3H2/t4-,5-/m1/s1","InChI=1S/C6H8O/c7-5-3-6(4-5)1-2-6/h5,7H,1-3H2/t5-/m1/s1",57.8199,50.94212,
9764,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]12[C:4]([H:12])([H:13])[C@@:5]1([H:14])[O:6][C@@:7]21[H:15],[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]12[C:4]([H:12])([H:13])[C-:5]=[O+:6][C:7]2([H:14])[H:15],"InChI=1S/C6H8O/c1-2-6(1)3-4-5(6)7-4/h4-5H,1-3H2/t4-,5-/m1/s1","InChI=1S/C6H8O/c1-2-6(1)3-4-7-5-6/h1-3,5H2",57.633390000000006,10.63694,
9765,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]12[C:4]([H:12])([H:13])[C@@:5]1([H:14])[O:6][C@@:7]21[H:15],[C:1](=[C:3]1[C:2]([H:10])([H:11])[C:5]([C:7](=[O:6])[H:15])([H:14])[C:4]1([H:12])[H:13])([H:8])[H:9],"InChI=1S/C6H8O/c1-2-6(1)3-4-5(6)7-4/h4-5H,1-3H2/t4-,5-/m1/s1","InChI=1S/C6H8O/c1-5-2-6(3-5)4-7/h4,6H,1-3H2",75.63709,-33.47741,
9766,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]12[C:4]([H:12])([H:13])[C@@:5]1([H:14])[O:6][C@@:7]21[H:15],[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]12[C:4]([H:12])([H:13])[C@:7]2([O+:6]=[C-:5][H:14])[H:15],"InChI=1S/C6H8O/c1-2-6(1)3-4-5(6)7-4/h4-5H,1-3H2/t4-,5-/m1/s1","InChI=1S/C6H8O/c1-7-5-4-6(5)2-3-6/h1,5H,2-4H2/t5-/m1/s1",75.49251,50.7389,
9767,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]12[C:4]([H:12])([H:13])[C@@:5]1([H:14])[O:6][C@@:7]21[H:15],[C:1]1([H:8])([H:9])[C:3](=[C:2]([H:10])[H:11])[C:4]([H:12])([H:13])[C@@:5]([C:7][H:15])([H:14])[O:6]1,"InChI=1S/C6H8O/c1-2-6(1)3-4-5(6)7-4/h4-5H,1-3H2/t4-,5-/m1/s1","InChI=1S/C6H8O/c1-5-3-6(2)7-4-5/h2,6H,1,3-4H2/t6-/m0/s1",68.42785,44.81154,
9768,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]12[C:4]([H:12])([H:13])[C@@:5]1([H:14])[O:6][C@@:7]21[H:15],[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]12[C:4]([H:12])([H:13])[C-:5]([H:14])[O+:6]=[C:7]2[H:15],"InChI=1S/C6H8O/c1-2-6(1)3-4-5(6)7-4/h4-5H,1-3H2/t4-,5-/m1/s1","InChI=1S/C6H8O/c1-2-6(1)3-4-7-5-6/h4-5H,1-3H2",37.40938,15.4957,
9769,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]12[C:4]([H:12])([H:13])[C@@:5]1([H:14])[O:6][C@@:7]21[H:15],[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]1([C@@:7]1([H:15])[C@:5]([C:4][H:12])([H:14])[O:6]1)[H:13],"InChI=1S/C6H8O/c1-2-6(1)3-4-5(6)7-4/h4-5H,1-3H2/t4-,5-/m1/s1","InChI=1S/C6H8O/c1-4-6(7-4)5-2-3-5/h1,4-6H,2-3H2/t4-,6-/m1/s1",74.38387,64.75291999999999,
9770,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]12[C:4]([H:12])([H:13])[C@@:5]1([H:14])[O:6][C@@:7]21[H:15],[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]1([C:4]([C:5](=[O:6])[H:14])([H:12])[H:13])[C:7][H:15],"InChI=1S/C6H8O/c1-2-6(1)3-4-5(6)7-4/h4-5H,1-3H2/t4-,5-/m1/s1","InChI=1S/C6H8O/c1-6(2-3-6)4-5-7/h1,5H,2-4H2",45.11457,41.56746,
9771,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]12[C:4]([H:12])([H:13])[C@@:5]1([H:14])[O:6][C@@:7]21[H:15],[C:1]1([H:8])=[C:3]([C:4]([C@@:5]2([H:14])[O+:6]=[C-:7]2)([H:12])[H:13])[C:2]1([H:10])[H:11].[H:9][H:15],"InChI=1S/C6H8O/c1-2-6(1)3-4-5(6)7-4/h4-5H,1-3H2/t4-,5-/m1/s1","InChI=1S/C6H6O.H2/c1-2-5(1)3-6-4-7-6;/h1,6H,2-3H2;1H/t6-;/m1./s1",98.58888,78.90094,
9772,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]12[C:4]([H:12])([H:13])[C@@:5]1([H:14])[O:6][C@@:7]21[H:15],[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]12[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[O+:6]=[C-:7]2,"InChI=1S/C6H8O/c1-2-6(1)3-4-5(6)7-4/h4-5H,1-3H2/t4-,5-/m1/s1",InChI=1S/C6H8O/c1-2-6(1)3-4-7-5-6/h1-4H2,56.8361,5.12901,
9773,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]12[C:4]([H:12])([H:13])[C@@:5]1([H:14])[O:6][C@@:7]21[H:15],[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]2=[C:7]([H:15])[C@@:5]([H:14])([C:4]2([H:12])[H:13])[O:6]1,"InChI=1S/C6H8O/c1-2-6(1)3-4-5(6)7-4/h4-5H,1-3H2/t4-,5-/m1/s1","InChI=1S/C6H8O/c1-2-7-6-3-5(1)4-6/h3,6H,1-2,4H2/t6-/m0/s1",59.96105,15.62076,
9774,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]12[C:4]([H:12])([H:13])[C@@:5]1([H:14])[O:6][C@@:7]21[H:15],[C:1]([C:2][H:11])([C@@:3]1([H:10])[C:4]([H:12])([H:13])[C@@:5]2([H:14])[O:6][C@@:7]12[H:15])([H:8])[H:9],"InChI=1S/C6H8O/c1-2-6(1)3-4-5(6)7-4/h4-5H,1-3H2/t4-,5-/m1/s1","InChI=1S/C6H8O/c1-2-4-3-5-6(4)7-5/h1,4-6H,2-3H2/t4-,5+,6-/m0/s1",70.20239000000001,76.4824,
9775,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]12[C:4]([H:12])([H:13])[C@@:5]1([H:14])[O:6][C@@:7]21[H:15],[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]12[C:4]([H:12])([H:13])[C@@:5]([C:7][H:15])([H:14])[O:6]2,"InChI=1S/C6H8O/c1-2-6(1)3-4-5(6)7-4/h4-5H,1-3H2/t4-,5-/m1/s1","InChI=1S/C6H8O/c1-5-4-6(7-5)2-3-6/h1,5H,2-4H2/t5-/m0/s1",94.13808,69.09226,
9776,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]12[C:4]([H:12])([H:13])[C@@:5]1([H:14])[O:6][C@@:7]21[H:15],[C:1]([C@@:3]1([C:2][H:11])[C:4]([H:12])([H:13])[C@@:5]2([H:14])[O:6][C@@:7]12[H:15])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-2-6(1)3-4-5(6)7-4/h4-5H,1-3H2/t4-,5-/m1/s1","InChI=1S/C6H8O/c1-6(2)3-4-5(6)7-4/h1,4-5H,3H2,2H3/t4-,5-,6+/m1/s1",65.73479,72.07619,
9777,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]12[C:4]([H:12])([H:13])[C@@:5]1([H:14])[O:6][C@@:7]21[H:15],[C:1](=[C:3]1[C:4]([H:12])([H:13])[C@:5]2([H:14])[C:2]([H:10])([H:11])[C@@:7]1([H:15])[O:6]2)([H:8])[H:9],"InChI=1S/C6H8O/c1-2-6(1)3-4-5(6)7-4/h4-5H,1-3H2/t4-,5-/m1/s1","InChI=1S/C6H8O/c1-4-2-5-3-6(4)7-5/h5-6H,1-3H2/t5-,6-/m1/s1",97.59545,-20.18301,
9778,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]12[C:4]([H:12])([H:13])[C@@:5]1([H:14])[O:6][C@@:7]21[H:15],[C:1]1([H:8])([H:9])[C:3](=[C:2]([H:10])[H:11])[C@@:7]2([H:15])[C@@:5]([H:14])([C:4]1([H:12])[H:13])[O:6]2,"InChI=1S/C6H8O/c1-2-6(1)3-4-5(6)7-4/h4-5H,1-3H2/t4-,5-/m1/s1","InChI=1S/C6H8O/c1-4-2-3-5-6(4)7-5/h5-6H,1-3H2/t5-,6+/m1/s1",76.83055999999999,-34.2598,
9779,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]12[C:4]([H:12])([H:13])[C@@:5]1([H:14])[O:6][C@@:7]21[H:15],[C-:1]1([H:8])[C:2]([H:10])([H:11])[C@@:3]12[C:4]([H:12])([H:13])[C:5]([H:14])=[O+:6][C:7]2([H:9])[H:15],"InChI=1S/C6H8O/c1-2-6(1)3-4-5(6)7-4/h4-5H,1-3H2/t4-,5-/m1/s1","InChI=1S/C6H8O/c1-2-6(1)3-4-7-5-6/h1,4H,2-3,5H2/t6-/m1/s1",88.72126,38.457240000000006,
9780,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]12[C:4]([H:12])([H:13])[C@@:5]1([H:14])[O:6][C@@:7]21[H:15],[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]1([C:4]([C@@:5]1([H:14])[O+:6]=[C-:7]1)([H:12])[H:13])[H:15],"InChI=1S/C6H8O/c1-2-6(1)3-4-5(6)7-4/h4-5H,1-3H2/t4-,5-/m1/s1","InChI=1S/C6H8O/c1-2-5(1)3-6-4-7-6/h5-6H,1-3H2/t6-/m1/s1",58.291709999999995,27.25293,
9781,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]12[C:4]([H:12])([H:13])[C@@:5]1([H:14])[O:6][C@@:7]21[H:15],[C:1](=[C:2]([H:10])[H:11])([H:8])[H:9].[C:3]([C:4]([C:5](=[O:6])[H:14])([H:12])[H:13])#[C:7][H:15],"InChI=1S/C6H8O/c1-2-6(1)3-4-5(6)7-4/h4-5H,1-3H2/t4-,5-/m1/s1","InChI=1S/C4H4O.C2H4/c1-2-3-4-5;1-2/h1,4H,3H2;1-2H2",50.054790000000004,1.34608,
9782,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]12[C:4]([H:12])([H:13])[C@@:5]1([H:14])[O:6][C@@:7]21[H:15],[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]1=[C:7]([O:6][C:5](=[C:4]([H:12])[H:13])[H:14])[H:15],"InChI=1S/C6H8O/c1-2-6(1)3-4-5(6)7-4/h4-5H,1-3H2/t4-,5-/m1/s1","InChI=1S/C6H8O/c1-2-7-5-6-3-4-6/h2,5H,1,3-4H2",58.17527,-8.98978,
9783,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]12[C:4]([H:12])([H:13])[C@@:5]1([H:14])[O:6][C@@:7]21[H:15],[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]1([C:4]([H:12])([H:13])[H:14])[C@@:7]1([H:15])[C-:5]=[O+:6]1,"InChI=1S/C6H8O/c1-2-6(1)3-4-5(6)7-4/h4-5H,1-3H2/t4-,5-/m1/s1","InChI=1S/C6H8O/c1-6(2-3-6)5-4-7-5/h5H,2-3H2,1H3/t5-/m1/s1",53.62666,24.121229999999997,
9784,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]12[C:4]([H:12])([H:13])[C@@:5]1([H:14])[O:6][C@@:7]21[H:15],[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3](=[C:4]([H:12])[H:13])[C@:7]1([C:5](=[O:6])[H:14])[H:15],"InChI=1S/C6H8O/c1-2-6(1)3-4-5(6)7-4/h4-5H,1-3H2/t4-,5-/m1/s1","InChI=1S/C6H8O/c1-5-2-3-6(5)4-7/h4,6H,1-3H2/t6-/m1/s1",51.47038,-34.6053,
9785,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]12[C:4]([H:12])([H:13])[C@@:5]1([H:14])[O:6][C@@:7]21[H:15],[C:1]([C:2]([C:3]1=[C:4]([H:13])[C@@:5]2([H:14])[O:6][C@@:7]12[H:15])([H:10])[H:11])([H:8])([H:9])[H:12],"InChI=1S/C6H8O/c1-2-6(1)3-4-5(6)7-4/h4-5H,1-3H2/t4-,5-/m1/s1","InChI=1S/C6H8O/c1-2-4-3-5-6(4)7-5/h3,5-6H,2H2,1H3/t5-,6+/m1/s1",73.33707,6.4099699999999995,
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9789,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C:3]([H:11])([H:12])[O:4][C:5]([H:13])=[N:6][C@@:7]12[H:14],[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C:3]([H:11])([H:12])[O+:4]=[C:5]([H:13])[N:6]([H:14])[C-:7]12,"InChI=1S/C5H7NO/c1-4-2-7-3-6-5(1)4/h3-5H,1-2H2/t4-,5-/m0/s1","InChI=1S/C5H7NO/c1-4-2-7-3-6-5(1)4/h3-4,6H,1-2H2/t4-/m0/s1",75.76673000000001,47.73085,
9790,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C:3]([H:11])([H:12])[O:4][C:5]([H:13])=[N:6][C@@:7]12[H:14],[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C:3]([H:11])([H:12])[N:6]([C:5](=[O:4])[H:13])[C@@:7]12[H:14],"InChI=1S/C5H7NO/c1-4-2-7-3-6-5(1)4/h3-5H,1-2H2/t4-,5-/m0/s1","InChI=1S/C5H7NO/c7-3-6-2-4-1-5(4)6/h3-5H,1-2H2/t4-,5-/m0/s1",63.28276999999999,11.23889,ketoenol
9791,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C:3]([H:11])([H:12])[O:4][C:5]([H:13])=[N:6][C@@:7]12[H:14],[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C:3]([H:11])([H:12])[O+:4]=[C-:5][N:6]([H:13])[C@@:7]12[H:14],"InChI=1S/C5H7NO/c1-4-2-7-3-6-5(1)4/h3-5H,1-2H2/t4-,5-/m0/s1","InChI=1S/C5H7NO/c1-4-2-7-3-6-5(1)4/h4-6H,1-2H2/t4-,5-/m0/s1",71.84139,34.666109999999996,
9792,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C:3]([H:11])([H:12])[O:4][C:5]([H:13])=[N:6][C@@:7]12[H:14],[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C:3]([H:11])([H:12])[O:4][C:5]([H:13])=[N+:6]2[C-:7]1[H:14],"InChI=1S/C5H7NO/c1-4-2-7-3-6-5(1)4/h3-5H,1-2H2/t4-,5-/m0/s1","InChI=1S/C5H7NO/c1-2-6-4-7-3-5(1)6/h2,4-5H,1,3H2/t5-/m0/s1",73.24011999999999,60.08863,
9793,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C:3]([H:11])([H:12])[O:4][C:5]([H:13])=[N:6][C@@:7]12[H:14],[C:1]1([H:8])([H:9])[C:2]([H:10])=[C:7]([H:14])[N:6]=[C:5]([H:13])[O:4][C:3]1([H:11])[H:12],"InChI=1S/C5H7NO/c1-4-2-7-3-6-5(1)4/h3-5H,1-2H2/t4-,5-/m0/s1","InChI=1S/C5H7NO/c1-2-4-7-5-6-3-1/h1,3,5H,2,4H2",59.81361999999999,-9.49215,
9794,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C:3]([H:11])([H:12])[O:4][C:5]([H:13])=[N:6][C@@:7]12[H:14],[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C:3]([H:11])([H:12])[O:4][C@:5]1([H:13])[N:6]=[C:7]2[H:14],"InChI=1S/C5H7NO/c1-4-2-7-3-6-5(1)4/h3-5H,1-2H2/t4-,5-/m0/s1","InChI=1S/C5H7NO/c1-4-2-6-5(1)7-3-4/h2,4-5H,1,3H2/t4-,5+/m1/s1",47.46373,0.09125,
9795,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C:3]([H:11])([H:12])[O:4][C:5]([H:13])=[N:6][C@@:7]12[H:14],[C-:1]1([H:9])[C@@:2]2([H:10])[C:3]([H:11])([H:12])[O+:4]=[C:5]([H:13])[N:6]([H:8])[C@@:7]12[H:14],"InChI=1S/C5H7NO/c1-4-2-7-3-6-5(1)4/h3-5H,1-2H2/t4-,5-/m0/s1","InChI=1S/C5H7NO/c1-4-2-7-3-6-5(1)4/h1,3-6H,2H2/t4-,5-/m0/s1",76.45636999999999,69.89529,
9796,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C:3]([H:11])([H:12])[O:4][C:5]([H:13])=[N:6][C@@:7]12[H:14],[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C:3]([H:11])([H:12])[O:4][C@@:7]12[H:14].[C:5](#[N:6])[H:13],"InChI=1S/C5H7NO/c1-4-2-7-3-6-5(1)4/h3-5H,1-2H2/t4-,5-/m0/s1","InChI=1S/C4H6O.CHN/c1-3-2-5-4(1)3;1-2/h3-4H,1-2H2;1H/t3-,4-;/m0./s1",100.69879,44.592729999999996,
9797,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C:3]([H:11])([H:12])[O:4][C:5]([H:13])=[N:6][C@@:7]12[H:14],[C:1]([C@@:7]1([H:14])[C:2][C:3]([H:11])([H:12])[O:4][C:5]([H:13])=[N:6]1)([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-7-3-6-5(1)4/h3-5H,1-2H2/t4-,5-/m0/s1","InChI=1S/C5H7NO/c1-5-2-3-7-4-6-5/h4-5H,3H2,1H3/t5-/m0/s1",63.309619999999995,62.3589,
9798,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C:3]([H:11])([H:12])[O:4][C:5]([H:13])=[N:6][C@@:7]12[H:14],[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C-:3]([H:12])[O+:4]=[C:5]([H:13])[N:6]([H:11])[C@@:7]12[H:14],"InChI=1S/C5H7NO/c1-4-2-7-3-6-5(1)4/h3-5H,1-2H2/t4-,5-/m0/s1","InChI=1S/C5H7NO/c1-4-2-7-3-6-5(1)4/h2-6H,1H2/t4-,5-/m0/s1",68.27413,50.84817,
9799,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C:3]([H:11])([H:12])[O:4][C:5]([H:13])=[N:6][C@@:7]12[H:14],[C:1]([C:2](=[C:3]([H:11])[H:12])[H:10])(/[C:7](=[N:6]\[C:5](=[O:4])[H:13])[H:14])([H:8])[H:9],"InChI=1S/C5H7NO/c1-4-2-7-3-6-5(1)4/h3-5H,1-2H2/t4-,5-/m0/s1","InChI=1S/C5H7NO/c1-2-3-4-6-5-7/h2,4-5H,1,3H2/b6-4-",21.164089999999998,-4.758290000000001,
9800,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C:3]([H:11])([H:12])[O:4][C:5]([H:13])=[N:6][C@@:7]12[H:14],[C:1]1([H:8])([H:9])[C@:2]([C:3]([O:4][H:13])([H:11])[H:12])([H:10])[C@:7]1([N+:6]#[C-:5])[H:14],"InChI=1S/C5H7NO/c1-4-2-7-3-6-5(1)4/h3-5H,1-2H2/t4-,5-/m0/s1","InChI=1S/C5H7NO/c1-6-5-2-4(5)3-7/h4-5,7H,2-3H2/t4-,5-/m0/s1",60.248830000000005,22.63729,
9801,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C:3]([H:11])([H:12])[O:4][C:5]([H:13])=[N:6][C@@:7]12[H:14],[C:1]1([H:8])([H:9])[C:2][C:3]([H:11])([H:12])[O:4][C:5]([H:13])=[N:6][C:7]1([H:10])[H:14],"InChI=1S/C5H7NO/c1-4-2-7-3-6-5(1)4/h3-5H,1-2H2/t4-,5-/m0/s1","InChI=1S/C5H7NO/c1-2-4-7-5-6-3-1/h5H,1,3-4H2",64.02571,67.89374000000001,
9802,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C:3]([H:11])([H:12])[O:4][C:5]([H:13])=[N:6][C@@:7]12[H:14],[C:1](=[C:2]([C:3]([O:4][C:5](=[N+:6]=[C-:7][H:14])[H:13])([H:11])[H:12])[H:10])([H:8])[H:9],"InChI=1S/C5H7NO/c1-4-2-7-3-6-5(1)4/h3-5H,1-2H2/t4-,5-/m0/s1","InChI=1S/C5H7NO/c1-3-4-7-5-6-2/h2-3,5H,1,4H2",49.31007,49.79997,
9803,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C:3]([H:11])([H:12])[O:4][C:5]([H:13])=[N:6][C@@:7]12[H:14],[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C:5]([H:13])=[N:6][C@@:7]12[H:14].[C:3](=[O:4])([H:11])[H:12],"InChI=1S/C5H7NO/c1-4-2-7-3-6-5(1)4/h3-5H,1-2H2/t4-,5-/m0/s1","InChI=1S/C4H5N.CH2O/c1-3-2-5-4(1)3;1-2/h2-4H,1H2;1H2/t3-,4-;/m0./s1",114.62355,58.56768,
9804,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C:3]([H:11])([H:12])[O:4][C:5]([H:13])=[N:6][C@@:7]12[H:14],[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:7]1(/[N:6]=[C:5](\[O+:4]=[C-:3][H:12])[H:13])[H:14],"InChI=1S/C5H7NO/c1-4-2-7-3-6-5(1)4/h3-5H,1-2H2/t4-,5-/m0/s1","InChI=1S/C5H7NO/c1-7-4-6-5-2-3-5/h1,4-5H,2-3H2/b6-4-",80.69091,75.19478000000001,
9805,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C:3]([H:11])([H:12])[O:4][C:5]([H:13])=[N:6][C@@:7]12[H:14],[C:1]1([H:8])([H:9])[C:2]([H:10])([H:14])[C:3]([H:11])([H:12])[O:4][C:5]([H:13])=[N+:6]=[C-:7]1,"InChI=1S/C5H7NO/c1-4-2-7-3-6-5(1)4/h3-5H,1-2H2/t4-,5-/m0/s1","InChI=1S/C5H7NO/c1-2-4-7-5-6-3-1/h5H,1-2,4H2",55.18772,39.08984,
9806,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C:3]([H:11])([H:12])[O:4][C:5]([H:13])=[N:6][C@@:7]12[H:14],[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C:3]([H:11])([H:12])[O:4][C@@:5]2([H:13])[N:6]=[C:7]1[H:14],"InChI=1S/C5H7NO/c1-4-2-7-3-6-5(1)4/h3-5H,1-2H2/t4-,5-/m0/s1","InChI=1S/C5H7NO/c1-2-6-5-4(1)3-7-5/h2,4-5H,1,3H2/t4-,5+/m0/s1",80.83076,4.82707,
9807,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C:3]([H:11])([H:12])[O:4][C:5]([H:13])=[N:6][C@@:7]12[H:14],[C:1](=[C:7](/[N:6]=[C:5](\[O:4][C:3](=[C:2]([H:10])[H:12])[H:11])[H:13])[H:14])([H:8])[H:9],"InChI=1S/C5H7NO/c1-4-2-7-3-6-5(1)4/h3-5H,1-2H2/t4-,5-/m0/s1","InChI=1S/C5H7NO/c1-3-6-5-7-4-2/h3-5H,1-2H2/b6-5-",78.66023,12.70819,
9808,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C:3]([H:11])([H:12])[O:4][C:5]([H:13])=[N:6][C@@:7]12[H:14],[C:1]1([H:8])([H:9])[C:2](/[C:7](=[N:6]\[C:5](=[O:4])[H:13])[H:14])([H:10])[C:3]1([H:11])[H:12],"InChI=1S/C5H7NO/c1-4-2-7-3-6-5(1)4/h3-5H,1-2H2/t4-,5-/m0/s1","InChI=1S/C5H7NO/c7-4-6-3-5-1-2-5/h3-5H,1-2H2/b6-3-",59.03061999999999,-1.3336700000000001,
9809,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C:3]([H:11])([H:12])[O:4][C:5]([H:13])=[N:6][C@@:7]12[H:14],[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C@@:3]2([H:12])[O:4][C@@:5]2([H:13])[N:6]=[C:7]1[H:14],"InChI=1S/C5H7NO/c1-4-2-7-3-6-5(1)4/h3-5H,1-2H2/t4-,5-/m0/s1","InChI=1S/C5H7NO/c1-2-4-5(7-4)6-3-1/h3-5H,1-2H2/t4-,5-/m1/s1",69.98116,2.26317,
9810,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C:3]([H:11])([H:12])[O:4][C:5]([H:13])=[N:6][C@@:7]12[H:14],[C:1]([C@@:7]1([H:14])[C:2]([H:9])([H:10])[C:3]([H:11])([H:12])[O:4][C:5]([H:13])=[N:6]1)[H:8],"InChI=1S/C5H7NO/c1-4-2-7-3-6-5(1)4/h3-5H,1-2H2/t4-,5-/m0/s1","InChI=1S/C5H7NO/c1-5-2-3-7-4-6-5/h1,4-5H,2-3H2/t5-/m0/s1",70.55271,75.14662,
9811,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C:3]([H:11])([H:12])[O:4][C:5]([H:13])=[N:6][C@@:7]12[H:14],[C:1]1([H:8])([H:9])[C@:2]([C:3](=[O:4])[H:12])([H:10])[C@:7]1([N:6]=[C:5]([H:11])[H:13])[H:14],"InChI=1S/C5H7NO/c1-4-2-7-3-6-5(1)4/h3-5H,1-2H2/t4-,5-/m0/s1","InChI=1S/C5H7NO/c1-6-5-2-4(5)3-7/h3-5H,1-2H2/t4-,5-/m0/s1",77.37997,9.976469999999999,
9812,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C:3]([H:11])([H:12])[O:4][C:5]([H:13])=[N:6][C@@:7]12[H:14],[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[O:4][C:5]([H:13])=[N+:6]=[C-:7]1)([H:8])([H:9])[H:14],"InChI=1S/C5H7NO/c1-4-2-7-3-6-5(1)4/h3-5H,1-2H2/t4-,5-/m0/s1","InChI=1S/C5H7NO/c1-5-2-6-4-7-3-5/h4-5H,3H2,1H3/t5-/m1/s1",62.47597,44.904759999999996,
9813,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C:3]([H:11])([H:12])[O:4][C:5]([H:13])=[N:6][C@@:7]12[H:14],[C:1]1([H:8])([H:9])[C@:2]([C:3](=[O:4])[H:11])([H:10])[C@:7]1([N+:6]#[C-:5])[H:14].[H:12][H:13],"InChI=1S/C5H7NO/c1-4-2-7-3-6-5(1)4/h3-5H,1-2H2/t4-,5-/m0/s1","InChI=1S/C5H5NO.H2/c1-6-5-2-4(5)3-7;/h3-5H,2H2;1H/t4-,5-;/m0./s1",81.50215,42.09025,
9814,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C:3]([H:11])([H:12])[O:4][C:5]([H:13])=[N:6][C@@:7]12[H:14],[C:1]1([H:9])=[C:7]([H:14])[N:6]=[C:5]([H:13])[O:4][C:3]([H:12])=[C:2]1[H:10].[H:8][H:11],"InChI=1S/C5H7NO/c1-4-2-7-3-6-5(1)4/h3-5H,1-2H2/t4-,5-/m0/s1",InChI=1S/C5H5NO.H2/c1-2-4-7-5-6-3-1;/h1-5H;1H,81.52873000000001,17.67788,
9815,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C:3]([H:11])([H:12])[O:4][C:5]([H:13])=[N:6][C@@:7]12[H:14],[C:1]1([H:8])([H:9])[C@:5]2([H:13])[O:4][C:3]([H:11])([H:12])[C:2]([H:10])=[C:7]([H:14])[N:6]12,"InChI=1S/C5H7NO/c1-4-2-7-3-6-5(1)4/h3-5H,1-2H2/t4-,5-/m0/s1","InChI=1S/C5H7NO/c1-2-6-4-5(6)7-3-1/h1-2,5H,3-4H2/t5-,6?/m0/s1",94.96637,20.44642,
9816,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C:3]([H:11])([H:12])[O:4][C:5]([H:13])=[N:6][C@@:7]12[H:14],[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[O:4][C:5]([H:13])=[N:6][C@@:7]12[H:14].[C:3]([H:11])[H:12],"InChI=1S/C5H7NO/c1-4-2-7-3-6-5(1)4/h3-5H,1-2H2/t4-,5-/m0/s1","InChI=1S/C4H5NO.CH2/c1-3-4(1)6-2-5-3;/h2-4H,1H2;1H2/t3-,4+;/m0./s1",123.53716999999999,120.46732,
9817,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C:3]([H:11])([H:12])[O:4][C:5]([H:13])=[N:6][C@@:7]12[H:14],[C:1]1([H:8])([H:9])[C@@:2]([C:7][H:14])([H:10])[C:3]([H:11])([H:12])[O:4][C:5]([H:13])=[N:6]1,"InChI=1S/C5H7NO/c1-4-2-7-3-6-5(1)4/h3-5H,1-2H2/t4-,5-/m0/s1","InChI=1S/C5H7NO/c1-5-2-6-4-7-3-5/h1,4-5H,2-3H2/t5-/m0/s1",95.19123,78.8188,
9818,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C:3]([H:11])([H:12])[O:4][C:5]([H:13])=[N:6][C@@:7]12[H:14],[C:1]1([H:8])([H:9])[C:2](=[C:3]([H:11])[H:12])[C@:7]1(/[N:6]=[C:5](\[O:4][H:10])[H:13])[H:14],"InChI=1S/C5H7NO/c1-4-2-7-3-6-5(1)4/h3-5H,1-2H2/t4-,5-/m0/s1","InChI=1S/C5H7NO/c1-4-2-5(4)6-3-7/h3,5H,1-2H2,(H,6,7)/t5-/m0/s1",106.33628999999999,15.7041,
9819,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1]([C:2]([O:3][C:4](/[C:5](=[C:6](/[O:7][H:17])[H:16])[H:15])([H:12])[H:13])([H:11])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-4-5(6)2-3-7-4/h4-6H,2-3H2,1H3/t4-,5-/m1/s1","InChI=1S/C5H10O2/c1-2-7-5-3-4-6/h3-4,6H,2,5H2,1H3/b4-3+",79.5258,14.41445,
9820,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])=[C:5]([H:14])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10].[H:13][H:15],"InChI=1S/C5H10O2/c1-4-5(6)2-3-7-4/h4-6H,2-3H2,1H3/t4-,5-/m1/s1","InChI=1S/C5H8O2.H2/c1-4-5(6)2-3-7-4;/h2-6H,1H3;1H/t4-,5-;/m1./s1",96.72386,22.75749,
9821,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]([O:3][C:4](=[C:5]([H:13])[H:14])[H:12])([C:6]([O:7][H:17])([H:15])[H:16])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-4-5(6)2-3-7-4/h4-6H,2-3H2,1H3/t4-,5-/m1/s1","InChI=1S/C5H10O2/c1-3-7-5(2)4-6/h3,5-6H,1,4H2,2H3/t5-/m1/s1",91.18311,11.80754,
9822,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C:5]([H:14])=[C:6]1[H:16])([H:8])([H:9])[H:10].[O:7]([H:15])[H:17],"InChI=1S/C5H10O2/c1-4-5(6)2-3-7-4/h4-6H,2-3H2,1H3/t4-,5-/m1/s1","InChI=1S/C5H8O.H2O/c1-5-3-2-4-6-5;/h2-3,5H,4H2,1H3;1H2/t5-;/m1./s1",58.872609999999995,12.84088,"1,3_Insertion_ROR"
9823,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1]([C:2]([C:6]([C:5]([C:4]([O:3][H:17])([H:12])[H:13])([H:14])[H:15])=[O:7])([H:11])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-4-5(6)2-3-7-4/h4-6H,2-3H2,1H3/t4-,5-/m1/s1","InChI=1S/C5H10O2/c1-2-5(7)3-4-6/h6H,2-4H2,1H3",54.97946999999999,-10.28594,
9824,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:15].[C@:2]12([H:11])[O:3][C:4]([H:12])([H:13])[C@@:5]1([H:14])[C@:6]2([O:7][H:17])[H:16],"InChI=1S/C5H10O2/c1-4-5(6)2-3-7-4/h4-6H,2-3H2,1H3/t4-,5-/m1/s1","InChI=1S/C4H6O2.CH4/c5-3-2-1-6-4(2)3;/h2-5H,1H2;1H4/t2-,3+,4-;/m0./s1",93.23535,49.162620000000004,
9825,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]([O:3][H:15])([C@@:6]([C:5](=[C:4]([H:12])[H:13])[H:14])([O:7][H:17])[H:16])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-4-5(6)2-3-7-4/h4-6H,2-3H2,1H3/t4-,5-/m1/s1","InChI=1S/C5H10O2/c1-3-5(7)4(2)6/h3-7H,1H2,2H3/t4-,5-/m1/s1",73.92727,5.4477,
9826,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1]([C:2]([C:6](=[C:5]([H:14])[H:15])[O:7][H:17])([H:11])[H:16])([H:8])([H:9])[H:10].[O:3]=[C:4]([H:12])[H:13],"InChI=1S/C5H10O2/c1-4-5(6)2-3-7-4/h4-6H,2-3H2,1H3/t4-,5-/m1/s1","InChI=1S/C4H8O.CH2O/c1-3-4(2)5;1-2/h5H,2-3H2,1H3;1H2",71.59243000000001,19.96101,
9827,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]([O:3][H:17])([C:6](=[O:7])[H:16])[H:11])([H:8])([H:9])[H:10].[C:4](=[C:5]([H:14])[H:15])([H:12])[H:13],"InChI=1S/C5H10O2/c1-4-5(6)2-3-7-4/h4-6H,2-3H2,1H3/t4-,5-/m1/s1","InChI=1S/C3H6O2.C2H4/c1-3(5)2-4;1-2/h2-3,5H,1H3;1-2H2/t3-;/m1./s1",46.32326,18.58527,
9828,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1]([C:2](=[O+:3][C-:4]([H:12])[H:13])[H:11])([H:8])([H:9])[H:10].[C:5](=[C:6]([O:7][H:17])[H:16])([H:14])[H:15],"InChI=1S/C5H10O2/c1-4-5(6)2-3-7-4/h4-6H,2-3H2,1H3/t4-,5-/m1/s1","InChI=1S/C3H6O.C2H4O/c1-3-4-2;1-2-3/h3H,2H2,1H3;2-3H,1H2",77.91405999999999,74.6237,
9829,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:6](\[O:7][H:17])[H:16])[H:11])([H:8])([H:9])[H:10].[O:3]=[C:4]([C:5]([H:13])([H:14])[H:15])[H:12],"InChI=1S/C5H10O2/c1-4-5(6)2-3-7-4/h4-6H,2-3H2,1H3/t4-,5-/m1/s1","InChI=1S/C3H6O.C2H4O/c1-2-3-4;1-2-3/h2-4H,1H3;2H,1H3/b3-2-;",71.83254000000001,12.252469999999999,
9830,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:6]([O:7][H:17])[C:5]([H:14])([H:15])[C:4]([H:12])([H:13])[O:3]1)([H:8])([H:9])[H:10].[H:11][H:16],"InChI=1S/C5H10O2/c1-4-5(6)2-3-7-4/h4-6H,2-3H2,1H3/t4-,5-/m1/s1","InChI=1S/C5H8O2.H2/c1-4-5(6)2-3-7-4;/h6H,2-3H2,1H3;1H",96.38878000000001,24.47684,
9831,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1]([C:2]([O:3][C@@:4]1([H:13])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-4-5(6)2-3-7-4/h4-6H,2-3H2,1H3/t4-,5-/m1/s1","InChI=1S/C5H10O2/c1-2-7-5-3-4(5)6/h4-6H,2-3H2,1H3/t4-,5+/m1/s1",106.57316000000002,30.55132,
9832,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C:5]([H:14])=[C:6]1[O:7][H:17])([H:8])([H:9])[H:10].[H:15][H:16],"InChI=1S/C5H10O2/c1-4-5(6)2-3-7-4/h4-6H,2-3H2,1H3/t4-,5-/m1/s1","InChI=1S/C5H8O2.H2/c1-4-5(6)2-3-7-4;/h2,4,6H,3H2,1H3;1H/t4-;/m1./s1",109.14885,25.563370000000003,
9833,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]([O:3][C:4]([C:5]([H:14])([H:15])[H:16])([H:12])[H:13])([C:6][O:7][H:17])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-4-5(6)2-3-7-4/h4-6H,2-3H2,1H3/t4-,5-/m1/s1","InChI=1S/C5H10O2/c1-3-7-5(2)4-6/h5-6H,3H2,1-2H3/t5-/m1/s1",66.95407,55.3177,
9834,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1]([C:2]([O:3][C:4]([C:5]([C:6](=[O:7])[H:16])([H:14])[H:15])([H:12])[H:13])([H:11])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-4-5(6)2-3-7-4/h4-6H,2-3H2,1H3/t4-,5-/m1/s1","InChI=1S/C5H10O2/c1-2-7-5-3-4-6/h4H,2-3,5H2,1H3",76.23055,9.38439,
9835,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1]([C:2]([O:3][C:4]([C:5]([C:6][O:7][H:17])([H:14])[H:15])([H:12])[H:13])([H:11])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-4-5(6)2-3-7-4/h4-6H,2-3H2,1H3/t4-,5-/m1/s1","InChI=1S/C5H10O2/c1-2-7-5-3-4-6/h6H,2-3,5H2,1H3",65.25031,60.96358000000001,
9836,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]([O+:3]=[C-:4][H:12])([C@@:6]([C:5]([H:13])([H:14])[H:15])([O:7][H:17])[H:16])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-4-5(6)2-3-7-4/h4-6H,2-3H2,1H3/t4-,5-/m1/s1","InChI=1S/C5H10O2/c1-4(6)5(2)7-3/h3-6H,1-2H3/t4-,5-/m1/s1",70.69578,60.474059999999994,
9837,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1]([C@:2]1([O:7][H:17])[O:3][C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]1([H:11])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-4-5(6)2-3-7-4/h4-6H,2-3H2,1H3/t4-,5-/m1/s1","InChI=1S/C5H10O2/c1-5(6)3-2-4-7-5/h6H,2-4H2,1H3/t5-/m0/s1",79.87394,-9.18789,
9838,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1]([C:2](=[O:3])[H:11])([H:8])([H:9])[H:10].[C:4]1([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]1([O:7][H:17])[H:16],"InChI=1S/C5H10O2/c1-4-5(6)2-3-7-4/h4-6H,2-3H2,1H3/t4-,5-/m1/s1","InChI=1S/C3H6O.C2H4O/c4-3-1-2-3;1-2-3/h3-4H,1-2H2;2H,1H3",70.71853,26.67111,
9839,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1](=[C:2]([O:3][C:4]([C:5]([C:6](=[O:7])[H:16])([H:14])[H:15])([H:12])[H:13])[H:11])([H:9])[H:10].[H:8][H:17],"InChI=1S/C5H10O2/c1-4-5(6)2-3-7-4/h4-6H,2-3H2,1H3/t4-,5-/m1/s1","InChI=1S/C5H8O2.H2/c1-2-7-5-3-4-6;/h2,4H,1,3,5H2;1H",59.567190000000004,35.71198,
9840,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1](=[C:2]([O:3][C:4]([C:5]([C:6][O:7][H:17])([H:14])[H:15])([H:12])[H:13])[H:11])([H:9])[H:10].[H:8][H:16],"InChI=1S/C5H10O2/c1-4-5(6)2-3-7-4/h4-6H,2-3H2,1H3/t4-,5-/m1/s1","InChI=1S/C5H8O2.H2/c1-2-7-5-3-4-6;/h2,6H,1,3,5H2;1H",107.09337,90.43154,
9841,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1]([O:7][H:17])([H:8])([H:9])[H:10].[C:2]1([H:11])=[C:6]([H:16])[C:5]([H:14])([H:15])[C:4]([H:12])([H:13])[O:3]1,"InChI=1S/C5H10O2/c1-4-5(6)2-3-7-4/h4-6H,2-3H2,1H3/t4-,5-/m1/s1","InChI=1S/C4H6O.CH4O/c1-2-4-5-3-1;1-2/h1,3H,2,4H2;2H,1H3",95.27586,25.442510000000002,"1,3_Insertion_ROR"
9842,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]([O:3][H:13])([C@@:6]([C:5]([C:4][H:12])([H:14])[H:15])([O:7][H:17])[H:16])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-4-5(6)2-3-7-4/h4-6H,2-3H2,1H3/t4-,5-/m1/s1","InChI=1S/C5H10O2/c1-3-5(7)4(2)6/h1,4-7H,3H2,2H3/t4-,5-/m1/s1",77.77329,77.82587,
9843,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1]([C:2][H:11])([H:8])([H:9])[H:10].[O:3]1[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16],"InChI=1S/C5H10O2/c1-4-5(6)2-3-7-4/h4-6H,2-3H2,1H3/t4-,5-/m1/s1","InChI=1S/C3H6O2.C2H4/c4-3-1-2-5-3;1-2/h3-4H,1-2H2;1H,2H3/t3-;/m0./s1",110.00313,116.52062,
9844,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]([O:3][C:4]([C:5]([O:7][H:17])([H:14])[H:15])([H:12])[H:13])([C:6][H:16])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-4-5(6)2-3-7-4/h4-6H,2-3H2,1H3/t4-,5-/m1/s1","InChI=1S/C5H10O2/c1-5(2)7-4-3-6/h1,5-6H,3-4H2,2H3/t5-/m0/s1",104.97503,95.58783000000001,
9845,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1]([C:2]1=[O+:3][C-:4]([H:12])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10].[H:11][H:13],"InChI=1S/C5H10O2/c1-4-5(6)2-3-7-4/h4-6H,2-3H2,1H3/t4-,5-/m1/s1","InChI=1S/C5H8O2.H2/c1-4-5(6)2-3-7-4;/h3,5-6H,2H2,1H3;1H/t5-;/m1./s1",66.28732,68.08771999999999,
9846,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1]([C@:2]1([H:11])[C@:6]([C:5]([C:4]([O:3][H:17])([H:12])[H:13])([H:14])[H:15])([H:16])[O:7]1)([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-4-5(6)2-3-7-4/h4-6H,2-3H2,1H3/t4-,5-/m1/s1","InChI=1S/C5H10O2/c1-4-5(7-4)2-3-6/h4-6H,2-3H2,1H3/t4-,5-/m1/s1",57.383,15.360879999999998,
9847,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]([O:3][C:4](=[C:5]([H:14])[H:15])[H:13])([C:6](=[O:7])[H:16])[H:11])([H:8])([H:9])[H:10].[H:12][H:17],"InChI=1S/C5H10O2/c1-4-5(6)2-3-7-4/h4-6H,2-3H2,1H3/t4-,5-/m1/s1","InChI=1S/C5H8O2.H2/c1-3-7-5(2)4-6;/h3-5H,1H2,2H3;1H/t5-;/m1./s1",56.67395,34.37656,
9848,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1](/[C:2]([O:3][C:4]([C:5]([H:11])([H:14])[H:15])([H:12])[H:13])=[C:6](\[O:7][H:17])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-4-5(6)2-3-7-4/h4-6H,2-3H2,1H3/t4-,5-/m1/s1","InChI=1S/C5H10O2/c1-3-7-5(2)4-6/h4,6H,3H2,1-2H3/b5-4+",82.36685,11.39685,
9849,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:15].[C:2](=[O:3])([C@@:6]([C:5](=[C:4]([H:12])[H:13])[H:14])([O:7][H:17])[H:16])[H:11],"InChI=1S/C5H10O2/c1-4-5(6)2-3-7-4/h4-6H,2-3H2,1H3/t4-,5-/m1/s1","InChI=1S/C4H6O2.CH4/c1-2-4(6)3-5;/h2-4,6H,1H2;1H4/t4-;/m1./s1",93.19587,18.73582,
9850,[C:1]([C@:2]1([H:11])[C:3]([H:12])([H:13])[C@@:4]([C:5]([H:15])([H:16])[H:17])([H:14])[C:6]([H:18])=[C:7]1[H:19])([H:8])([H:9])[H:10],[C:1]([C@@:7]1([H:19])[C@@:2]2([H:11])[C:3]([H:12])([H:13])[C@:4]([C:5]([H:15])([H:16])[H:17])([H:14])[C@:6]21[H:18])([H:8])([H:9])[H:10],"InChI=1S/C7H12/c1-6-3-4-7(2)5-6/h3-4,6-7H,5H2,1-2H3/t6-,7+","InChI=1S/C7H12/c1-4-3-6-5(2)7(4)6/h4-7H,3H2,1-2H3/t4-,5+,6-,7+/m1/s1",77.29268,30.212059999999997,
9851,[C:1]([C@:2]1([H:11])[C:3]([H:12])([H:13])[C@@:4]([C:5]([H:15])([H:16])[H:17])([H:14])[C:6]([H:18])=[C:7]1[H:19])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:7]1(/[C:6](=[C:4](/[C:5]([H:15])([H:16])[H:17])[H:14])[H:18])[H:19])([H:8])([H:9])[H:10],"InChI=1S/C7H12/c1-6-3-4-7(2)5-6/h3-4,6-7H,5H2,1-2H3/t6-,7+","InChI=1S/C7H12/c1-3-4-7-5-6(7)2/h3-4,6-7H,5H2,1-2H3/b4-3+/t6-,7+/m0/s1",64.91127,18.85656,
9852,[C:1]([C@:2]1([H:11])[C:3]([H:12])([H:13])[C@@:4]([C:5]([H:15])([H:16])[H:17])([H:14])[C:6]([H:18])=[C:7]1[H:19])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([C:5]([H:15])([H:16])[H:17])=[C:6]([H:18])[C:7]1([H:14])[H:19])([H:8])([H:9])[H:10],"InChI=1S/C7H12/c1-6-3-4-7(2)5-6/h3-4,6-7H,5H2,1-2H3/t6-,7+","InChI=1S/C7H12/c1-6-3-4-7(2)5-6/h3,7H,4-5H2,1-2H3/t7-/m1/s1",72.14339,-3.27648,
9853,[C:1]([C@:2]1([H:11])[C:3]([H:12])([H:13])[C@@:4]([C:5]([H:15])([H:16])[H:17])([H:14])[C:6]([H:18])=[C:7]1[H:19])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]([H:12])[H:13])[H:11])([H:8])([H:9])[H:10].[C:4](\[C:5]([H:15])([H:16])[H:17])(=[C:6](/[C:7][H:19])[H:18])[H:14],"InChI=1S/C7H12/c1-6-3-4-7(2)5-6/h3-4,6-7H,5H2,1-2H3/t6-,7+","InChI=1S/C4H6.C3H6/c1-3-4-2;1-3-2/h1,3-4H,2H3;3H,1H2,2H3/b4-3+;",100.72761,106.06161999999999,
9854,[C:1]([C@:2]1([H:11])[C:3]([H:12])([H:13])[C@@:4]([C:5]([H:15])([H:16])[H:17])([H:14])[C:6]([H:18])=[C:7]1[H:19])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:7]([H:19])[C:6]([H:18])=[C:4]([C:5]([H:15])([H:16])[H:17])[C:3]1([H:12])[H:13])([H:8])([H:9])[H:10].[H:11][H:14],"InChI=1S/C7H12/c1-6-3-4-7(2)5-6/h3-4,6-7H,5H2,1-2H3/t6-,7+","InChI=1S/C7H10.H2/c1-6-3-4-7(2)5-6;/h3-4H,5H2,1-2H3;1H",46.630990000000004,18.507179999999998,
9855,[C:1]([C@:2]1([H:11])[C:3]([H:12])([H:13])[C@@:4]([C:5]([H:15])([H:16])[H:17])([H:14])[C:6]([H:18])=[C:7]1[H:19])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:4]([C:5]([H:15])([H:16])[H:17])([H:14])[C:6]([H:18])([H:19])[C:7]1)([H:8])([H:9])[H:10],"InChI=1S/C7H12/c1-6-3-4-7(2)5-6/h3-4,6-7H,5H2,1-2H3/t6-,7+","InChI=1S/C7H12/c1-6-3-4-7(2)5-6/h6-7H,3,5H2,1-2H3/t6-,7+/m0/s1",69.24268000000001,70.89259,Singlet_Carbene_Intra_Disproportionation
9856,[C:1]([C@:2]1([H:11])[C:3]([H:12])([H:13])[C@@:4]([C:5]([H:15])([H:16])[H:17])([H:14])[C:6]([H:18])=[C:7]1[H:19])([H:8])([H:9])[H:10],[C-:2]1=[C:7]([H:19])[C+:6]([H:18])[C@@:4]([C:5]([H:15])([H:16])[H:17])([H:14])[C:3]1([H:12])[H:13].[C:1]([H:8])([H:9])([H:10])[H:11],"InChI=1S/C7H12/c1-6-3-4-7(2)5-6/h3-4,6-7H,5H2,1-2H3/t6-,7+","InChI=1S/C6H8.CH4/c1-6-4-2-3-5-6;/h2,4,6H,5H2,1H3;1H4/t6-;/m0./s1",74.59229,79.42815,
9857,[C:1]([C@:2]1([H:11])[C:3]([H:12])([H:13])[C@@:4]([C:5]([H:15])([H:16])[H:17])([H:14])[C:6]([H:18])=[C:7]1[H:19])([H:8])([H:9])[H:10],[C:1]([C:2]/[C:7](=[C:6](\[C:4]([C:3]([H:11])([H:12])[H:13])([C:5]([H:15])([H:16])[H:17])[H:14])[H:18])[H:19])([H:8])([H:9])[H:10],"InChI=1S/C7H12/c1-6-3-4-7(2)5-6/h3-4,6-7H,5H2,1-2H3/t6-,7+","InChI=1S/C7H12/c1-4-5-6-7(2)3/h5-7H,1-3H3/b6-5-",75.59203000000001,79.86471999999999,
9858,[C:1]([C@:2]1([H:11])[C:3]([H:12])([H:13])[C@@:4]([C:5]([H:15])([H:16])[H:17])([H:14])[C:6]([H:18])=[C:7]1[H:19])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:13].[C:2]1([H:11])=[C:3]([H:12])[C:4]([C:5]([H:15])([H:16])[H:17])([H:14])[C:6]([H:18])=[C:7]1[H:19],"InChI=1S/C7H12/c1-6-3-4-7(2)5-6/h3-4,6-7H,5H2,1-2H3/t6-,7+","InChI=1S/C6H8.CH4/c1-6-4-2-3-5-6;/h2-6H,1H3;1H4",76.1076,12.44768,
9859,[C:1]([C@:2]1([H:11])[C:3]([H:12])([H:13])[C@@:4]([C:5]([H:15])([H:16])[H:17])([H:14])[C:6]([H:18])=[C:7]1[H:19])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:12])([H:13])[H:18])([C:7](=[C:6]=[C:4]([C:5]([H:15])([H:16])[H:17])[H:14])[H:19])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C7H12/c1-6-3-4-7(2)5-6/h3-4,6-7H,5H2,1-2H3/t6-,7+","InChI=1S/C7H12/c1-4-5-6-7(2)3/h4,6-7H,1-3H3",122.60314,20.190820000000002,
9860,[C:1]([C@:2]1([H:11])[C:3]([H:12])([H:13])[C@@:4]([C:5]([H:15])([H:16])[H:17])([H:14])[C:6]([H:18])=[C:7]1[H:19])([H:8])([H:9])[H:10],[C:1]([C:5]([H:15])([H:16])[H:17])([H:8])([H:9])[H:10].[C:2]1([H:11])=[C:7]([H:19])[C:6]([H:18])=[C:4]([H:14])[C:3]1([H:12])[H:13],"InChI=1S/C7H12/c1-6-3-4-7(2)5-6/h3-4,6-7H,5H2,1-2H3/t6-,7+","InChI=1S/C5H6.C2H6/c1-2-4-5-3-1;1-2/h1-4H,5H2;1-2H3",108.32485,15.17194,
9861,[C:1]([C@:2]1([H:11])[C:3]([H:12])([H:13])[C@@:4]([C:5]([H:15])([H:16])[H:17])([H:14])[C:6]([H:18])=[C:7]1[H:19])([H:8])([H:9])[H:10],[C:1]1([H:9])([H:10])[C@@:2]2([H:11])[C@:3]1([H:13])[C@:4]([C:5]([H:15])([H:16])[H:17])([H:14])[C:6]([H:18])=[C:7]2[H:19].[H:8][H:12],"InChI=1S/C7H12/c1-6-3-4-7(2)5-6/h3-4,6-7H,5H2,1-2H3/t6-,7+","InChI=1S/C7H10.H2/c1-5-2-3-6-4-7(5)6;/h2-3,5-7H,4H2,1H3;1H/t5-,6-,7-;/m0./s1",106.06198,36.54834,
9862,[C:1]([C@:2]1([H:11])[C:3]([H:12])([H:13])[C@@:4]([C:5]([H:15])([H:16])[H:17])([H:14])[C:6]([H:18])=[C:7]1[H:19])([H:8])([H:9])[H:10],[C:1]1([H:9])([H:10])[C@@:2]2([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])=[C:6]([H:18])[C@@:7]12[H:19].[C:5]([H:8])([H:15])([H:16])[H:17],"InChI=1S/C7H12/c1-6-3-4-7(2)5-6/h3-4,6-7H,5H2,1-2H3/t6-,7+","InChI=1S/C6H8.CH4/c1-2-5-4-6(5)3-1;/h1-2,5-6H,3-4H2;1H4/t5-,6+;/m0./s1",87.84322,23.63421,
9863,[C:1]([C@:2]1([H:11])[C:3]([H:12])([H:13])[C@@:4]([C:5]([H:15])([H:16])[H:17])([H:14])[C:6]([H:18])=[C:7]1[H:19])([H:8])([H:9])[H:10],[C:1]([C@@:2]([C:3]([C:4]([C:5]([H:15])([H:16])[H:17])([H:14])[H:18])([H:12])[H:13])([C:7](=[C:6])[H:19])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C7H12/c1-6-3-4-7(2)5-6/h3-4,6-7H,5H2,1-2H3/t6-,7+","InChI=1S/C7H12/c1-4-6-7(3)5-2/h5,7H,4,6H2,1,3H3/t7-/m1/s1",73.88486,77.40472,
9864,[C:1]([C@:2]1([H:11])[C:3]([H:12])([H:13])[C@@:4]([C:5]([H:15])([H:16])[H:17])([H:14])[C:6]([H:18])=[C:7]1[H:19])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])=[C:6]([H:18])[C@:7]1([C:5]([H:15])([H:16])[H:17])[H:19])([H:8])([H:9])[H:10],"InChI=1S/C7H12/c1-6-3-4-7(2)5-6/h3-4,6-7H,5H2,1-2H3/t6-,7+","InChI=1S/C7H12/c1-6-4-3-5-7(6)2/h3-4,6-7H,5H2,1-2H3/t6-,7+/m1/s1",111.34148,0.80161,
9865,[C:1]([C@:2]1([H:11])[C:3]([H:12])([H:13])[C@@:4]([C:5]([H:15])([H:16])[H:17])([H:14])[C:6]([H:18])=[C:7]1[H:19])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:6]([C:4]([C:5]([H:15])([H:16])[H:17])([H:14])[H:18])=[C:7]1[H:19])([H:8])([H:9])[H:10],"InChI=1S/C7H12/c1-6-3-4-7(2)5-6/h3-4,6-7H,5H2,1-2H3/t6-,7+","InChI=1S/C7H12/c1-3-7-4-6(2)5-7/h4,6H,3,5H2,1-2H3/t6-/m1/s1",130.25744,19.959629999999997,
9866,[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C@@:5]2([H:16])[C:6]([H:17])([H:18])[C@@:7]12[H:19])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C@@:3]2([H:13])[C:4]([H:14])([H:15])[C@:5]([C:6]([H:12])([H:17])[H:18])([H:16])[C@@:7]12[H:19])([H:8])([H:9])[H:10],"InChI=1S/C7H12/c1-2-5-3-6-4-7(5)6/h5-7H,2-4H2,1H3/t5-,6-,7-/m0/s1","InChI=1S/C7H12/c1-4-3-6-5(2)7(4)6/h4-7H,3H2,1-2H3/t4-,5+,6-,7+/m1/s1",78.80981,0.68781,
9867,[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C@@:5]2([H:16])[C:6]([H:17])([H:18])[C@@:7]12[H:19])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2](/[C:3](=[C:7](/[C:4]([C:5](=[C:6]([H:17])[H:18])[H:16])([H:14])[H:15])[H:19])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C7H12/c1-2-5-3-6-4-7(5)6/h5-7H,2-4H2,1H3/t5-,6-,7-/m0/s1","InChI=1S/C7H12/c1-3-5-7-6-4-2/h3,6-7H,1,4-5H2,2H3/b7-6+",66.95215999999999,-13.997810000000001,
9868,[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C@@:5]2([H:16])[C:6]([H:17])([H:18])[C@@:7]12[H:19])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]1([H:9])([H:10])[C:2]([H:11])([H:12])[C:3]1([C@@:7]1([H:19])[C@:5]([C:4]([H:8])([H:14])[H:15])([H:16])[C:6]1([H:17])[H:18])[H:13],"InChI=1S/C7H12/c1-2-5-3-6-4-7(5)6/h5-7H,2-4H2,1H3/t5-,6-,7-/m0/s1","InChI=1S/C7H12/c1-5-4-7(5)6-2-3-6/h5-7H,2-4H2,1H3/t5-,7+/m0/s1",75.53191,2.95209,
9869,[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C@@:5]2([H:16])[C:6]([H:17])([H:18])[C@@:7]12[H:19])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@:3]1([H:13])[C:4]([H:14])([H:15])[C@@:5]([C:6][H:17])([H:16])[C:7]1([H:18])[H:19])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C7H12/c1-2-5-3-6-4-7(5)6/h5-7H,2-4H2,1H3/t5-,6-,7-/m0/s1","InChI=1S/C7H12/c1-3-7-4-6(2)5-7/h2,6-7H,3-5H2,1H3/t6-,7+",63.892480000000006,67.75216999999999,
9870,[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C@@:5]2([H:16])[C:6]([H:17])([H:18])[C@@:7]12[H:19])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C@:2]1([H:11])[C@@:3]2([H:13])[C:4]([H:14])([H:15])[C@@:5]3([H:16])[C@:6]1([H:18])[C@@:7]23[H:19])([H:8])([H:9])[H:10].[H:12][H:17],"InChI=1S/C7H12/c1-2-5-3-6-4-7(5)6/h5-7H,2-4H2,1H3/t5-,6-,7-/m0/s1","InChI=1S/C7H10.H2/c1-3-4-2-5-6(3)7(4)5;/h3-7H,2H2,1H3;1H/t3-,4-,5+,6-,7+;/m1./s1",130.9006,38.698859999999996,
9871,[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C@@:5]2([H:16])[C:6]([H:17])([H:18])[C@@:7]12[H:19])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3][C@@:7]1([H:19])[C@:5]([C:4]([H:13])([H:14])[H:15])([H:16])[C:6]1([H:17])[H:18])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C7H12/c1-2-5-3-6-4-7(5)6/h5-7H,2-4H2,1H3/t5-,6-,7-/m0/s1","InChI=1S/C7H12/c1-3-4-7-5-6(7)2/h6-7H,3,5H2,1-2H3/t6-,7+/m0/s1",69.43766,61.085,
9872,[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C@@:5]2([H:16])[C:6]([H:17])([H:18])[C@@:7]12[H:19])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:19].[C:2](=[C:3]([C:7]12[C:4]([H:14])([H:15])[C:5]1([H:16])[C:6]2([H:17])[H:18])[H:13])([H:11])[H:12],"InChI=1S/C7H12/c1-2-5-3-6-4-7(5)6/h5-7H,2-4H2,1H3/t5-,6-,7-/m0/s1","InChI=1S/C6H8.CH4/c1-2-6-3-5(6)4-6;/h2,5H,1,3-4H2;1H4",100.28283,21.4202,
9873,[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C@@:5]2([H:16])[C:6]([H:17])([H:18])[C@@:7]12[H:19])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([C@@:7]1([H:19])[C@:5]([C:4][H:15])([H:16])[C:6]1([H:17])[H:18])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C7H12/c1-2-5-3-6-4-7(5)6/h5-7H,2-4H2,1H3/t5-,6-,7-/m0/s1","InChI=1S/C7H12/c1-3-4-7-5-6(7)2/h2,6-7H,3-5H2,1H3/t6-,7+/m0/s1",74.3445,64.26881,
9874,[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C@@:5]2([H:16])[C:6]([H:17])([H:18])[C@@:7]12[H:19])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C:5]([H:16])([H:19])[C:6]([H:17])([H:18])[C:7]1)([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C7H12/c1-2-5-3-6-4-7(5)6/h5-7H,2-4H2,1H3/t5-,6-,7-/m0/s1","InChI=1S/C7H12/c1-2-7-5-3-4-6-7/h7H,2-5H2,1H3/t7-/m0/s1",60.696419999999996,42.92151,
9875,[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C@@:5]2([H:16])[C:6]([H:17])([H:18])[C@@:7]12[H:19])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:3]([C:4][H:15])([C:7]1([H:19])[C:5]([H:14])([H:16])[C:6]1([H:17])[H:18])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C7H12/c1-2-5-3-6-4-7(5)6/h5-7H,2-4H2,1H3/t5-,6-,7-/m0/s1","InChI=1S/C7H12/c1-3-6(2)7-4-5-7/h2,6-7H,3-5H2,1H3/t6-/m1/s1",77.60188000000001,75.78133000000001,
9876,[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C@@:5]2([H:16])[C:6]([H:17])([H:18])[C@@:7]12[H:19])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C@:7]1([C:6]([C:5][H:16])([H:17])[H:18])[H:19])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C7H12/c1-2-5-3-6-4-7(5)6/h5-7H,2-4H2,1H3/t5-,6-,7-/m0/s1","InChI=1S/C7H12/c1-3-6-5-7(6)4-2/h1,6-7H,3-5H2,2H3/t6-,7+/m1/s1",71.02131999999999,76.73234000000001,
9877,[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C@@:5]2([H:16])[C:6]([H:17])([H:18])[C@@:7]12[H:19])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C@:5]([C:6]([H:17])([H:18])[H:19])([H:16])[C:7]1)([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C7H12/c1-2-5-3-6-4-7(5)6/h5-7H,2-4H2,1H3/t5-,6-,7-/m0/s1","InChI=1S/C7H12/c1-3-7-4-6(2)5-7/h6-7H,3-4H2,1-2H3/t6-,7+/m1/s1",64.62914,57.74491999999999,
9878,[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C@@:5]2([H:16])[C:6]([H:17])([H:18])[C@@:7]12[H:19])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([C:4]([C:5](=[C:6]([H:17])[H:18])[H:16])([H:14])[H:15])=[C:7]([H:13])[H:19])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C7H12/c1-2-5-3-6-4-7(5)6/h5-7H,2-4H2,1H3/t5-,6-,7-/m0/s1","InChI=1S/C7H12/c1-4-6-7(3)5-2/h4H,1,3,5-6H2,2H3",87.43869000000001,-15.0094,
9879,[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C@@:5]2([H:16])[C:6]([H:17])([H:18])[C@@:7]12[H:19])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C:5][C:6]([H:17])([H:18])[C:7]1([H:16])[H:19])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C7H12/c1-2-5-3-6-4-7(5)6/h5-7H,2-4H2,1H3/t5-,6-,7-/m0/s1","InChI=1S/C7H12/c1-2-7-5-3-4-6-7/h7H,2-3,5-6H2,1H3/t7-/m1/s1",59.60977,43.74407,
9880,[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C@@:5]2([H:16])[C:6]([H:17])([H:18])[C@@:7]12[H:19])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:3]1([H:13])[C@@:4]2([H:15])[C@:5]([C:6]([H:14])([H:17])[H:18])([H:16])[C@:7]12[H:19])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C7H12/c1-2-5-3-6-4-7(5)6/h5-7H,2-4H2,1H3/t5-,6-,7-/m0/s1","InChI=1S/C7H12/c1-3-5-6-4(2)7(5)6/h4-7H,3H2,1-2H3/t4-,5+,6-,7-/m1/s1",95.03336999999999,65.05951999999999,
9881,[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C@@:5]2([H:16])[C:6]([H:17])([H:18])[C@@:7]12[H:19])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:3]([C:4]([H:14])([H:15])[H:16])([C@@:7]1([H:19])[C:5][C:6]1([H:17])[H:18])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C7H12/c1-2-5-3-6-4-7(5)6/h5-7H,2-4H2,1H3/t5-,6-,7-/m0/s1","InChI=1S/C7H12/c1-3-6(2)7-4-5-7/h6-7H,3-4H2,1-2H3/t6-,7-/m1/s1",69.5542,68.1897,
9882,[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C@@:5]2([H:16])[C:6]([H:17])([H:18])[C@@:7]12[H:19])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]1([H:13])[C:4]([H:14])([H:15])[C:5]([H:16])=[C:7]([H:19])[C:6]1([H:17])[H:18])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C7H12/c1-2-5-3-6-4-7(5)6/h5-7H,2-4H2,1H3/t5-,6-,7-/m0/s1","InChI=1S/C7H12/c1-2-7-5-3-4-6-7/h3-4,7H,2,5-6H2,1H3",114.01966000000002,-28.06513,
9883,[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C@@:5]2([H:16])[C:6]([H:17])([H:18])[C@@:7]12[H:19])([H:11])[H:12])([H:8])([H:9])[H:10],[C-:1]([C:2]([C@@:3]([C:4]([H:8])([H:14])[H:15])([C@@:7]1([H:19])[C+:5]([H:16])[C:6]1([H:17])[H:18])[H:13])([H:11])[H:12])([H:9])[H:10],"InChI=1S/C7H12/c1-2-5-3-6-4-7(5)6/h5-7H,2-4H2,1H3/t5-,6-,7-/m0/s1","InChI=1S/C7H12/c1-3-6(2)7-4-5-7/h4,6-7H,1,3,5H2,2H3/t6-,7+/m1/s1",85.3301,83.68021,
9884,[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C@@:5]2([H:16])[C:6]([H:17])([H:18])[C@@:7]12[H:19])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([C:4]([C@@:5]1([H:16])[C:6]([H:17])([H:18])[C:7]1)([H:14])[H:15])([H:13])[H:19])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C7H12/c1-2-5-3-6-4-7(5)6/h5-7H,2-4H2,1H3/t5-,6-,7-/m0/s1","InChI=1S/C7H12/c1-2-3-4-7-5-6-7/h7H,2-5H2,1H3/t7-/m0/s1",68.7995,71.48680999999999,
9885,[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C@@:5]2([H:16])[C:6]([H:17])([H:18])[C@@:7]12[H:19])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])[H:10].[C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C@@:5]2([H:16])[C:6]([H:17])([H:18])[C:7]12)([H:11])([H:12])[H:19],"InChI=1S/C7H12/c1-2-5-3-6-4-7(5)6/h5-7H,2-4H2,1H3/t5-,6-,7-/m0/s1","InChI=1S/C6H9.CH3/c1-4-2-5-3-6(4)5;/h4-5H,2-3H2,1H3;1H3/t4-,5-;/m0./s1",138.42263,98.95033000000001,
9886,[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C@@:5]2([H:16])[C:6]([H:17])([H:18])[C@@:7]12[H:19])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C:5]([H:16])([H:18])[C:6]([H:17])=[C:7]1[H:19])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C7H12/c1-2-5-3-6-4-7(5)6/h5-7H,2-4H2,1H3/t5-,6-,7-/m0/s1","InChI=1S/C7H12/c1-2-7-5-3-4-6-7/h3,5,7H,2,4,6H2,1H3/t7-/m1/s1",64.44637,-28.057290000000002,
9887,[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C@@:5]2([H:16])[C:6]([H:17])([H:18])[C@@:7]12[H:19])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([H:11])([H:12])[H:19])([H:8])([H:9])[H:10].[C:3]1([H:13])=[C:7]2[C@@:5]([H:16])([C:4]1([H:14])[H:15])[C:6]2([H:17])[H:18],"InChI=1S/C7H12/c1-2-5-3-6-4-7(5)6/h5-7H,2-4H2,1H3/t5-,6-,7-/m0/s1","InChI=1S/C5H6.C2H6/c1-2-5-3-4(1)5;1-2/h1,5H,2-3H2;1-2H3/t5-;/m0./s1",73.5895,65.38407,
9888,[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C@@:5]2([H:16])[C:6]([H:17])([H:18])[C@@:7]12[H:19])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]1([H:9])([H:10])[C:2]([H:11])([H:12])[C@@:3]2([H:13])[C:4]([H:14])([H:15])[C@@:5]3([H:16])[C@:6]1([H:18])[C@@:7]23[H:19].[H:8][H:17],"InChI=1S/C7H12/c1-2-5-3-6-4-7(5)6/h5-7H,2-4H2,1H3/t5-,6-,7-/m0/s1","InChI=1S/C7H10.H2/c1-2-5-6-3-4(1)7(5)6;/h4-7H,1-3H2;1H/t4-,5+,6-,7+;/m0./s1",119.75514,17.300810000000002,
9889,[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C@@:5]2([H:16])[C:6]([H:17])([H:18])[C@@:7]12[H:19])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([H:11])([H:12])[H:13])([H:8])([H:9])[H:10].[C:3]1[C:4]([H:14])([H:15])[C@@:5]2([H:16])[C:6]([H:17])([H:18])[C@@:7]12[H:19],"InChI=1S/C7H12/c1-2-5-3-6-4-7(5)6/h5-7H,2-4H2,1H3/t5-,6-,7-/m0/s1","InChI=1S/C5H6.C2H6/c1-2-5-3-4(1)5;1-2/h4-5H,1,3H2;1-2H3/t4-,5+;/m0./s1",78.16899000000001,74.2171,
9890,[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C@@:5]2([H:16])[C:6]([H:17])([H:18])[C@@:7]12[H:19])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([C:4](=[C:5]([H:15])[H:16])[H:14])([C:7](=[C:6]([H:17])[H:18])[H:19])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C7H12/c1-2-5-3-6-4-7(5)6/h5-7H,2-4H2,1H3/t5-,6-,7-/m0/s1","InChI=1S/C7H12/c1-4-7(5-2)6-3/h4-5,7H,1-2,6H2,3H3",91.12419,-11.98938,
9891,[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C@@:5]2([H:16])[C:6]([H:17])([H:18])[C@@:7]12[H:19])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C-:3]1[C:4]([H:14])([H:15])[C+:5]2[C:6]([H:17])([H:18])[C@@:7]12[H:19])([H:11])[H:12])([H:8])([H:9])[H:10].[H:13][H:16],"InChI=1S/C7H12/c1-2-5-3-6-4-7(5)6/h5-7H,2-4H2,1H3/t5-,6-,7-/m0/s1","InChI=1S/C7H10.H2/c1-2-5-3-6-4-7(5)6;/h7H,2-4H2,1H3;1H/t7-;/m0./s1",99.27111,75.99195999999999,
9892,[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C@@:5]2([H:16])[C:6]([H:17])([H:18])[C@@:7]12[H:19])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C:5][C@:7]1([C:6]([H:16])([H:17])[H:18])[H:19])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C7H12/c1-2-5-3-6-4-7(5)6/h5-7H,2-4H2,1H3/t5-,6-,7-/m0/s1","InChI=1S/C7H12/c1-3-7-5-4-6(7)2/h6-7H,3,5H2,1-2H3/t6-,7+/m1/s1",64.88135,66.85871,
9893,[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C@@:5]2([H:16])[C:6]([H:17])([H:18])[C@@:7]12[H:19])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](=[C:2]([H:11])[H:12])([H:9])[H:10].[C:3]1([H:13])=[C:7]([H:19])[C@@:5]([C:6]([H:8])([H:17])[H:18])([H:16])[C:4]1([H:14])[H:15],"InChI=1S/C7H12/c1-2-5-3-6-4-7(5)6/h5-7H,2-4H2,1H3/t5-,6-,7-/m0/s1","InChI=1S/C5H8.C2H4/c1-5-3-2-4-5;1-2/h2-3,5H,4H2,1H3;1-2H2/t5-;/m0./s1",71.53286999999999,18.36189,
9894,[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C@@:5]2([H:16])[C:6]([H:17])([H:18])[C@@:7]12[H:19])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3][C:4]([C:5]1([H:16])[C:6]([H:17])([H:18])[C:7]1([H:13])[H:19])([H:14])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C7H12/c1-2-5-3-6-4-7(5)6/h5-7H,2-4H2,1H3/t5-,6-,7-/m0/s1","InChI=1S/C7H12/c1-2-3-4-7-5-6-7/h7H,2,4-6H2,1H3",75.85189,65.64806,
9895,[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C@@:5]2([H:16])[C:6]([H:17])([H:18])[C@@:7]12[H:19])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C:5]([H:16])([H:17])[C@:7]1([C:6][H:18])[H:19])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C7H12/c1-2-5-3-6-4-7(5)6/h5-7H,2-4H2,1H3/t5-,6-,7-/m0/s1","InChI=1S/C7H12/c1-3-7-5-4-6(7)2/h2,6-7H,3-5H2,1H3/t6-,7+/m1/s1",64.9614,68.4192,
9896,[O:1]([C:2]([c:3]1[n:4][o:5][c:6]([H:11])[c:7]1[H:12])([H:9])[H:10])[H:8],[O:1]1[C:2]([H:9])([H:10])[C@@:3]12[N:4]([H:8])[O:5][C:6]([H:11])=[C:7]2[H:12],"InChI=1S/C4H5NO2/c6-3-4-1-2-7-5-4/h1-2,6H,3H2","InChI=1S/C4H5NO2/c1-2-7-5-4(1)3-6-4/h1-2,5H,3H2/t4-/m0/s1",51.13407,42.357209999999995,
9897,[O:1]([C:2]([c:3]1[n:4][o:5][c:6]([H:11])[c:7]1[H:12])([H:9])[H:10])[H:8],[O:1]([C@@:7]1([H:12])[C:3](=[C:2]([H:9])[H:10])[N-:4][O+:5]=[C:6]1[H:11])[H:8],"InChI=1S/C4H5NO2/c6-3-4-1-2-7-5-4/h1-2,6H,3H2","InChI=1S/C4H5NO2/c1-3-4(6)2-7-5-3/h2,4,6H,1H2/t4-/m1/s1",78.65434,49.17053,
9898,[O:1]([C:2]([c:3]1[n:4][o:5][c:6]([H:11])[c:7]1[H:12])([H:9])[H:10])[H:8],[O:1]([C:2]([C:3]([N:4]=[O:5])=[C:7]=[C:6]([H:11])[H:12])([H:9])[H:10])[H:8],"InChI=1S/C4H5NO2/c6-3-4-1-2-7-5-4/h1-2,6H,3H2","InChI=1S/C4H5NO2/c1-2-4(3-6)5-7/h6H,1,3H2",75.10451,55.80288,
9899,[O:1]([C:2]([c:3]1[n:4][o:5][c:6]([H:11])[c:7]1[H:12])([H:9])[H:10])[H:8],[O:1]([C+:2]([C:3]1=[C:7]([H:12])[C:6]([H:9])([H:11])[O:5][N-:4]1)[H:10])[H:8],"InChI=1S/C4H5NO2/c6-3-4-1-2-7-5-4/h1-2,6H,3H2","InChI=1S/C4H5NO2/c6-3-4-1-2-7-5-4/h1,3,6H,2H2",115.84899999999999,51.32013,
9900,[O:1]([C:2]([c:3]1[n:4][o:5][c:6]([H:11])[c:7]1[H:12])([H:9])[H:10])[H:8],[O:1]([C:2]([C:3]1=[N:4][C@:7]1([C:6](=[O:5])[H:11])[H:12])([H:9])[H:10])[H:8],"InChI=1S/C4H5NO2/c6-3-4-1-2-7-5-4/h1-2,6H,3H2","InChI=1S/C4H5NO2/c6-1-3-4(2-7)5-3/h1,3,7H,2H2/t3-/m0/s1",47.224579999999996,14.98443,ketoenol
9901,[O:1]([C:2]([c:3]1[n:4][o:5][c:6]([H:11])[c:7]1[H:12])([H:9])[H:10])[H:8],[O:1]([C:2]([C@:3]1([H:12])[N-:4][O:5][C:6]([H:11])=[C+:7]1)([H:9])[H:10])[H:8],"InChI=1S/C4H5NO2/c6-3-4-1-2-7-5-4/h1-2,6H,3H2","InChI=1S/C4H5NO2/c6-3-4-1-2-7-5-4/h2,4,6H,3H2/t4-/m1/s1",90.6607,90.93241,
9902,[O:1]([C:2]([c:3]1[n:4][o:5][c:6]([H:11])[c:7]1[H:12])([H:9])[H:10])[H:8],[O:1]([C:2]([C:3]1=[C:7]=[C:6]([H:11])[O:5][N:4]1[H:12])([H:9])[H:10])[H:8],"InChI=1S/C4H5NO2/c6-3-4-1-2-7-5-4/h1-2,6H,3H2","InChI=1S/C4H5NO2/c6-3-4-1-2-7-5-4/h2,5-6H,3H2",90.71309000000001,57.065490000000004,
9903,[O:1]([C:2]([c:3]1[n:4][o:5][c:6]([H:11])[c:7]1[H:12])([H:9])[H:10])[H:8],[C:2]([H:9])[H:10].[O:1]([c:3]1[n:4][o:5][c:6]([H:11])[c:7]1[H:12])[H:8],"InChI=1S/C4H5NO2/c6-3-4-1-2-7-5-4/h1-2,6H,3H2","InChI=1S/C3H3NO2.CH2/c5-3-1-2-6-4-3;/h1-2H,(H,4,5);1H2",99.97185999999999,111.12086000000001,
9904,[O:1]([C:2]([c:3]1[n:4][o:5][c:6]([H:11])[c:7]1[H:12])([H:9])[H:10])[H:8],[O:1]([C:2](=[C:3]1[N-:4][O+:5]=[C:6]([H:11])[C:7]1([H:9])[H:12])[H:10])[H:8],"InChI=1S/C4H5NO2/c6-3-4-1-2-7-5-4/h1-2,6H,3H2","InChI=1S/C4H5NO2/c6-3-4-1-2-7-5-4/h2-3,6H,1H2",86.8239,50.35938,
9905,[O:1]([C:2]([c:3]1[n:4][o:5][c:6]([H:11])[c:7]1[H:12])([H:9])[H:10])[H:8],[O:1]([C:3]1=[N:4][O:5][C:6]([H:11])=[C:7]([H:12])[C:2]1([H:9])[H:10])[H:8],"InChI=1S/C4H5NO2/c6-3-4-1-2-7-5-4/h1-2,6H,3H2","InChI=1S/C4H5NO2/c6-4-2-1-3-7-5-4/h1,3H,2H2,(H,5,6)",122.22336999999999,6.07561,
9906,[O:1]([C:2]([c:3]1[n:4][o:5][c:6]([H:11])[c:7]1[H:12])([H:9])[H:10])[H:8],[O:1]1[C:2]([H:9])([H:10])/[C:3](=[C:7](/[C:6](=[O:5])[H:11])[H:12])[N:4]1[H:8],"InChI=1S/C4H5NO2/c6-3-4-1-2-7-5-4/h1-2,6H,3H2","InChI=1S/C4H5NO2/c6-2-1-4-3-7-5-4/h1-2,5H,3H2/b4-1-",54.56295,34.87124,
9907,[O:1]([C:2]([c:3]1[n:4][o:5][c:6]([H:11])[c:7]1[H:12])([H:9])[H:10])[H:8],[O:1]=[C:2]([H:9])[H:10].[c:3]1([H:8])[n:4][o:5][c:6]([H:11])[c:7]1[H:12],"InChI=1S/C4H5NO2/c6-3-4-1-2-7-5-4/h1-2,6H,3H2",InChI=1S/C3H3NO.CH2O/c1-2-4-5-3-1;1-2/h1-3H;1H2,80.30077,18.83884,
9908,[O:1]([C:2]([c:3]1[n:4][o:5][c:6]([H:11])[c:7]1[H:12])([H:9])[H:10])[H:8],[O:1](/[N:4]=[C:3]1\[C:2]([H:9])([H:10])[C@@:7]1([C:6](=[O:5])[H:11])[H:12])[H:8],"InChI=1S/C4H5NO2/c6-3-4-1-2-7-5-4/h1-2,6H,3H2","InChI=1S/C4H5NO2/c6-2-3-1-4(3)5-7/h2-3,7H,1H2/b5-4+/t3-/m1/s1",77.83818000000001,34.70709,
9909,[O:1]([C:2]([c:3]1[n:4][o:5][c:6]([H:11])[c:7]1[H:12])([H:9])[H:10])[H:8],[C:6](#[C:7][H:12])[H:11].[O:1]([C:2]([C:3]#[N+:4][O-:5])([H:9])[H:10])[H:8],"InChI=1S/C4H5NO2/c6-3-4-1-2-7-5-4/h1-2,6H,3H2","InChI=1S/C2H3NO2.C2H2/c4-2-1-3-5;1-2/h4H,2H2;1-2H",78.64801999999999,75.61061,
9910,[O:1]([C:2]([c:3]1[n:4][o:5][c:6]([H:11])[c:7]1[H:12])([H:9])[H:10])[H:8],[H:9][H:12].[O:1]([C+:2]([C:3]1=[C:7]=[C:6]([H:11])[O:5][N-:4]1)[H:10])[H:8],"InChI=1S/C4H5NO2/c6-3-4-1-2-7-5-4/h1-2,6H,3H2","InChI=1S/C4H3NO2.H2/c6-3-4-1-2-7-5-4;/h2-3,6H;1H",92.62603,88.37040999999999,
9911,[O:1]([C:2]([c:3]1[n:4][o:5][c:6]([H:11])[c:7]1[H:12])([H:9])[H:10])[H:8],[O:1]([C:2]([N:4]=[C:3]=[C:7]([C:6](=[O:5])[H:11])[H:12])([H:9])[H:10])[H:8],"InChI=1S/C4H5NO2/c6-3-4-1-2-7-5-4/h1-2,6H,3H2","InChI=1S/C4H5NO2/c6-3-1-2-5-4-7/h1,3,7H,4H2",43.56422,-4.80497,
9912,[O:1]([C:2]([c:3]1[n:4][o:5][c:6]([H:11])[c:7]1[H:12])([H:9])[H:10])[H:8],[O:1]([C:2]([C:3]1=[C+:7][C:6]([H:11])([H:12])[O:5][N-:4]1)([H:9])[H:10])[H:8],"InChI=1S/C4H5NO2/c6-3-4-1-2-7-5-4/h1-2,6H,3H2","InChI=1S/C4H5NO2/c6-3-4-1-2-7-5-4/h6H,2-3H2",75.10580999999999,72.2074,Singlet_Carbene_Intra_Disproportionation
9913,[O:1]([C:2]([c:3]1[n:4][o:5][c:6]([H:11])[c:7]1[H:12])([H:9])[H:10])[H:8],[C+:2](=[C:3]1[N-:4][O:5][C:6]([H:11])=[C:7]1[H:12])[H:10].[O:1]([H:8])[H:9],"InChI=1S/C4H5NO2/c6-3-4-1-2-7-5-4/h1-2,6H,3H2",InChI=1S/C4H3NO.H2O/c1-4-2-3-6-5-4;/h1-3H;1H2,69.78421999999999,87.34178,
9914,[O:1]([C:2]([c:3]1[n:4][o:5][c:6]([H:11])[c:7]1[H:12])([H:9])[H:10])[H:8],[O:1]([C:2]([C:3](=[C:7]1[N-:4][O+:5]=[C:6]1[H:11])[H:12])([H:9])[H:10])[H:8],"InChI=1S/C4H5NO2/c6-3-4-1-2-7-5-4/h1-2,6H,3H2","InChI=1S/C4H5NO2/c6-2-1-4-3-7-5-4/h1,3,6H,2H2",149.47863,74.78848,
9915,[O:1]([C:2]([c:3]1[n:4][o:5][c:6]([H:11])[c:7]1[H:12])([H:9])[H:10])[H:8],[O:1]([C:2]([C:3]1([N:4]=[O:5])[C:6]([H:11])=[C:7]1[H:12])([H:9])[H:10])[H:8],"InChI=1S/C4H5NO2/c6-3-4-1-2-7-5-4/h1-2,6H,3H2","InChI=1S/C4H5NO2/c6-3-4(5-7)1-2-4/h1-2,6H,3H2",89.57289,76.45078000000001,ketoenol
9916,[N:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5](=[O:6])[n:7]1[H:12])([H:8])[H:9],[N:1]([C:2]1=[C-:3][N+:4]([H:10])([H:11])[C:5](=[O:6])[N:7]1[H:12])([H:8])[H:9],"InChI=1S/C3H5N3O/c4-2-1-5-3(7)6-2/h1H,4H2,(H2,5,6,7)","InChI=1S/C3H5N3O/c4-2-1-5-3(7)6-2/h4-5H2,(H,6,7)",81.23807,68.13365999999999,
9917,[N:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5](=[O:6])[n:7]1[H:12])([H:8])[H:9],[N:1](=[C-:2]/[C:3](=[N+:4](\[C:5](=[O:6])[N:7]([H:8])[H:12])[H:11])[H:10])[H:9],"InChI=1S/C3H5N3O/c4-2-1-5-3(7)6-2/h1H,4H2,(H2,5,6,7)","InChI=1S/C3H4N3O/c4-1-2-6-3(5)7/h2,4H,(H2,5,7)/q-1/p+1/b6-2-",64.33816999999999,24.657629999999997,
9918,[N:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5](=[O:6])[n:7]1[H:12])([H:8])[H:9],[N:1]([C:3](=[C:2]=[N:7][H:12])[H:10])([H:8])[H:9].[N:4](=[C:5]=[O:6])[H:11],"InChI=1S/C3H5N3O/c4-2-1-5-3(7)6-2/h1H,4H2,(H2,5,6,7)","InChI=1S/C2H4N2.CHNO/c3-1-2-4;2-1-3/h1,4H,3H2;2H",95.74344,40.55177,
9919,[N:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5](=[O:6])[n:7]1[H:12])([H:8])[H:9],[N-:1]([C:2]1=[C:3]([H:10])[N:4]([H:11])[C:5](=[O:6])[N+:7]1([H:9])[H:12])[H:8],"InChI=1S/C3H5N3O/c4-2-1-5-3(7)6-2/h1H,4H2,(H2,5,6,7)","InChI=1S/C3H4N3O/c4-2-1-5-3(7)6-2/h1,4H,(H2,5,6,7)/q-1/p+1",68.08349,46.621829999999996,
9920,[N:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5](=[O:6])[n:7]1[H:12])([H:8])[H:9],[N:1]([C@@:2]1(/[C:3](=[N:4]/[H:11])[H:10])[C:5](=[O:6])[N:7]1[H:12])([H:8])[H:9],"InChI=1S/C3H5N3O/c4-2-1-5-3(7)6-2/h1H,4H2,(H2,5,6,7)","InChI=1S/C3H5N3O/c4-1-3(5)2(7)6-3/h1,4H,5H2,(H,6,7)/b4-1+/t3-/m1/s1",73.0274,47.95706,
9921,[N:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5](=[O:6])[n:7]1[H:12])([H:8])[H:9],[N:1]([C:2](=[C:3]=[N:4][H:11])[N:7]([C:5](=[O:6])[H:10])[H:12])([H:8])[H:9],"InChI=1S/C3H5N3O/c4-2-1-5-3(7)6-2/h1H,4H2,(H2,5,6,7)","InChI=1S/C3H5N3O/c4-1-3(5)6-2-7/h2,4H,5H2,(H,6,7)",123.24181999999999,34.87229,
9922,[N:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5](=[O:6])[n:7]1[H:12])([H:8])[H:9],[N:1]([c:2]1[c:3]([H:10])[n:4][c:5]([O:6][H:11])[n:7]1[H:12])([H:8])[H:9],"InChI=1S/C3H5N3O/c4-2-1-5-3(7)6-2/h1H,4H2,(H2,5,6,7)","InChI=1S/C3H5N3O/c4-2-1-5-3(7)6-2/h1H,4H2,(H2,5,6,7)",47.34377,7.8466,ketoenol
9923,[N:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5](=[O:6])[n:7]1[H:12])([H:8])[H:9],[N+:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5]([O-:6])[n:7]1)([H:8])([H:9])[H:12],"InChI=1S/C3H5N3O/c4-2-1-5-3(7)6-2/h1H,4H2,(H2,5,6,7)","InChI=1S/C3H5N3O/c4-2-1-5-3(7)6-2/h1H,4H2,(H2,5,6,7)",52.35481,44.312329999999996,
9924,[N:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5](=[O:6])[n:7]1[H:12])([H:8])[H:9],[H:9][H:10].[N:1](=[C:2]1/[C-:3]=[N+:4]([H:11])[C:5](=[O:6])[N:7]1[H:12])\[H:8],"InChI=1S/C3H5N3O/c4-2-1-5-3(7)6-2/h1H,4H2,(H2,5,6,7)","InChI=1S/C3H3N3O.H2/c4-2-1-5-3(7)6-2;/h5H,(H2,4,6,7);1H",84.37283000000001,60.86597,
9925,[N:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5](=[O:6])[n:7]1[H:12])([H:8])[H:9],[N:1]([C:2](/[C:3](=[N:4]/[H:11])[H:10])=[N:7]/[C:5](=[O:6])[H:12])([H:8])[H:9],"InChI=1S/C3H5N3O/c4-2-1-5-3(7)6-2/h1H,4H2,(H2,5,6,7)","InChI=1S/C3H5N3O/c4-1-3(5)6-2-7/h1-2,4H,(H2,5,6,7)/b4-1+",61.080830000000006,22.224220000000003,
9926,[N:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5](=[O:6])[n:7]1[H:12])([H:8])[H:9],[C:5](=[O:6])=[N:7][H:12].[N:1]([C:2]/[C:3](=[N:4]/[H:11])[H:10])([H:8])[H:9],"InChI=1S/C3H5N3O/c4-2-1-5-3(7)6-2/h1H,4H2,(H2,5,6,7)","InChI=1S/C2H4N2.CHNO/c3-1-2-4;2-1-3/h1,3H,4H2;2H/b3-1+;",62.84815,65.37919000000001,
9927,[N:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5](=[O:6])[n:7]1[H:12])([H:8])[H:9],[N:1](=[C:2]1/[C:3]([H:9])([H:10])[N:4]([H:11])[C:5](=[O:6])[N:7]1[H:12])\[H:8],"InChI=1S/C3H5N3O/c4-2-1-5-3(7)6-2/h1H,4H2,(H2,5,6,7)","InChI=1S/C3H5N3O/c4-2-1-5-3(7)6-2/h1H2,(H3,4,5,6,7)",56.194759999999995,-7.3468800000000005,
9928,[N:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5](=[O:6])[n:7]1[H:12])([H:8])[H:9],[N:1]([c:2]1[c:3]([H:10])[n:4]([H:11])/[c:5](=[N:7]/[H:12])[o:6]1)([H:8])[H:9],"InChI=1S/C3H5N3O/c4-2-1-5-3(7)6-2/h1H,4H2,(H2,5,6,7)","InChI=1S/C3H5N3O/c4-2-1-6-3(5)7-2/h1H,4H2,(H2,5,6)",69.60797,21.170939999999998,ketoenol
9929,[N:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5](=[O:6])[n:7]1[H:12])([H:8])[H:9],[N:1]([C:2]([C:5]([N+:4](=[C-:3][H:10])[H:11])=[O:6])=[N:7][H:12])([H:8])[H:9],"InChI=1S/C3H5N3O/c4-2-1-5-3(7)6-2/h1H,4H2,(H2,5,6,7)","InChI=1S/C3H5N3O/c1-6-3(7)2(4)5/h1,6H,(H3,4,5)",107.13311999999999,67.03113,
9930,[N:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5](=[O:6])[n:7]1[H:12])([H:8])[H:9],[N:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5]([O:6][H:12])[n:7]1)([H:8])[H:9],"InChI=1S/C3H5N3O/c4-2-1-5-3(7)6-2/h1H,4H2,(H2,5,6,7)","InChI=1S/C3H5N3O/c4-2-1-5-3(7)6-2/h1H,4H2,(H2,5,6,7)",46.65578,5.77715,ketoenol
9931,[N:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5](=[O:6])[n:7]1[H:12])([H:8])[H:9],[C-:5]#[O+:6].[N:1]([C+:2](/[C:3](=[N:4]/[H:11])[H:10])[N-:7][H:12])([H:8])[H:9],"InChI=1S/C3H5N3O/c4-2-1-5-3(7)6-2/h1H,4H2,(H2,5,6,7)","InChI=1S/C2H5N3.CO/c3-1-2(4)5;1-2/h1,3-4H,5H2;/b3-1+;",53.16755,34.27006,
9932,[N:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5](=[O:6])[n:7]1[H:12])([H:8])[H:9],[N-:1]([c:2]1[c:3]([H:10])[n+:4]([H:11])[c:5]([O:6][H:8])[n:7]1[H:12])[H:9],"InChI=1S/C3H5N3O/c4-2-1-5-3(7)6-2/h1H,4H2,(H2,5,6,7)","InChI=1S/C3H4N3O/c4-2-1-5-3(7)6-2/h1,4H,(H2,5,6,7)/q-1/p+1",106.03522,38.97887,
9933,[N:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5](=[O:6])[n:7]1[H:12])([H:8])[H:9],[N:1]([c:2]1[c-:3][n:4]([H:11])[c+:5]([O:6][H:10])[n:7]1[H:12])([H:8])[H:9],"InChI=1S/C3H5N3O/c4-2-1-5-3(7)6-2/h1H,4H2,(H2,5,6,7)","InChI=1S/C3H5N3O/c4-2-1-5-3(7)6-2/h5-7H,4H2",121.49022,64.11480999999999,
9934,[N:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5](=[O:6])[n:7]1[H:12])([H:8])[H:9],[N:1]([C@:2]1([H:10])[C-:3]=[N+:4]([H:11])[C:5](=[O:6])[N:7]1[H:12])([H:8])[H:9],"InChI=1S/C3H5N3O/c4-2-1-5-3(7)6-2/h1H,4H2,(H2,5,6,7)","InChI=1S/C3H5N3O/c4-2-1-5-3(7)6-2/h2,5H,4H2,(H,6,7)/t2-/m0/s1",53.7549,41.396190000000004,Singlet_Carbene_Intra_Disproportionation
9935,[N:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5](=[O:6])[n:7]1[H:12])([H:8])[H:9],[N:1]([C:2]([C@:3]1([H:10])[N:4]([H:11])[C:5]1=[O:6])=[N:7][H:12])([H:8])[H:9],"InChI=1S/C3H5N3O/c4-2-1-5-3(7)6-2/h1H,4H2,(H2,5,6,7)","InChI=1S/C3H5N3O/c4-2(5)1-3(7)6-1/h1H,(H3,4,5)(H,6,7)/t1-/m0/s1",62.86476999999999,35.01893,
9936,[N:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5](=[O:6])[n:7]1[H:12])([H:8])[H:9],[N:1]([C@:2]1(/[C:3](=[N:4]/[H:11])[H:10])[O+:6]=[C-:5][N:7]1[H:12])([H:8])[H:9],"InChI=1S/C3H5N3O/c4-2-1-5-3(7)6-2/h1H,4H2,(H2,5,6,7)","InChI=1S/C3H5N3O/c4-1-3(5)6-2-7-3/h1,4,6H,5H2/b4-1+/t3-/m0/s1",81.75206999999999,78.3047,
9937,[N:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5](=[O:6])[n:7]1[H:12])([H:8])[H:9],[N:1]([C+:2]([C@@:3]1([H:10])[N:4]([H:11])[C-:5]=[O+:6]1)[N-:7][H:12])([H:8])[H:9],"InChI=1S/C3H5N3O/c4-2-1-5-3(7)6-2/h1H,4H2,(H2,5,6,7)","InChI=1S/C3H5N3O/c4-2(5)3-6-1-7-3/h3-4,6H,5H2/t3-/m0/s1",94.98207,76.02658000000001,
9938,[N:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5](=[O:6])[n:7]1[H:12])([H:8])[H:9],[N:1]([C:2]#[C:3][H:10])([H:8])[H:9].[N:4](=[C:5]1\[O:6][N:7]1[H:12])\[H:11],"InChI=1S/C3H5N3O/c4-2-1-5-3(7)6-2/h1H,4H2,(H2,5,6,7)","InChI=1S/C2H3N.CH2N2O/c1-2-3;2-1-3-4-1/h1H,3H2;(H2,2,3)",119.46179,125.54198999999998,
9939,[N:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5](=[O:6])[n:7]1[H:12])([H:8])[H:9],[N:1](=[C:2]([C:3](=[N:4]\[H:11])\[H:10])/[N:7]([C:5](=[O:6])[H:8])[H:12])\[H:9],"InChI=1S/C3H5N3O/c4-2-1-5-3(7)6-2/h1H,4H2,(H2,5,6,7)","InChI=1S/C3H5N3O/c4-1-3(5)6-2-7/h1-2,4H,(H2,5,6,7)/b4-1+",90.52204,17.02497,
9940,[N:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5](=[O:6])[n:7]1[H:12])([H:8])[H:9],[N:1]([C@@:2]12[C@@:3]([H:10])([N:4]([H:11])[C:5][N:7]1[H:12])[O:6]2)([H:8])[H:9],"InChI=1S/C3H5N3O/c4-2-1-5-3(7)6-2/h1H,4H2,(H2,5,6,7)","InChI=1S/C3H5N3O/c4-3-2(7-3)5-1-6-3/h2,5-6H,4H2/t2-,3-/m0/s1",133.07619,72.93524000000001,
9941,[C:1]([O:2][c:3]1[c:4]([H:11])[n:5][c:6]([H:12])[n:7]1[H:13])([H:8])([H:9])[H:10],[C:1]([O:2][C@@:6]1([H:12])[N-:5][C:4]([H:11])=[C+:3][N:7]1[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-7-4-2-5-3-6-4/h2-3H,1H3,(H,5,6)","InChI=1S/C4H6N2O/c1-7-4-5-2-3-6-4/h2,4,6H,1H3/t4-/m0/s1",110.87293000000001,57.099509999999995,
9942,[C:1]([O:2][c:3]1[c:4]([H:11])[n:5][c:6]([H:12])[n:7]1[H:13])([H:8])([H:9])[H:10],[C:1]([O:2][C@:3]1([H:13])[C:4]([H:11])=[N:5][C:6]([H:12])=[N:7]1)([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-7-4-2-5-3-6-4/h2-3H,1H3,(H,5,6)","InChI=1S/C4H6N2O/c1-7-4-2-5-3-6-4/h2-4H,1H3/t4-/m1/s1",49.263040000000004,22.0146,
9943,[C:1]([O:2][c:3]1[c:4]([H:11])[n:5][c:6]([H:12])[n:7]1[H:13])([H:8])([H:9])[H:10],[C:1]([O:2][C@@:4]1([H:11])[C-:3]=[N+:7]([H:13])[C:6]([H:12])=[N:5]1)([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-7-4-2-5-3-6-4/h2-3H,1H3,(H,5,6)","InChI=1S/C4H6N2O/c1-7-4-2-5-3-6-4/h3-5H,1H3/t4-/m0/s1",78.74247,58.697019999999995,
9944,[C:1]([O:2][c:3]1[c:4]([H:11])[n:5][c:6]([H:12])[n:7]1[H:13])([H:8])([H:9])[H:10],[C:1]([O:2]/[C:3]([C@@:4]1([H:11])[N:5]=[C:6]1[H:12])=[N:7]\[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-7-4-2-5-3-6-4/h2-3H,1H3,(H,5,6)","InChI=1S/C4H6N2O/c1-7-4(5)3-2-6-3/h2-3,5H,1H3/b5-4-/t3-/m0/s1",89.87613,44.35179,
9945,[C:1]([O:2][c:3]1[c:4]([H:11])[n:5][c:6]([H:12])[n:7]1[H:13])([H:8])([H:9])[H:10],[C:1]1([H:8])([H:10])[O:2][C@@:3]12[C:4]([H:11])=[N:5][C:6]([H:9])([H:12])[N:7]2[H:13],"InChI=1S/C4H6N2O/c1-7-4-2-5-3-6-4/h2-3H,1H3,(H,5,6)","InChI=1S/C4H6N2O/c1-4(2-7-4)6-3-5-1/h1,6H,2-3H2/t4-/m0/s1",84.32821,29.74407,
9946,[C:1]([O:2][c:3]1[c:4]([H:11])[n:5][c:6]([H:12])[n:7]1[H:13])([H:8])([H:9])[H:10],[C:1]([O:2]/[C:3]([C-:4]([N+:5]#[C:6][H:12])[H:11])=[N:7]\[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-7-4-2-5-3-6-4/h2-3H,1H3,(H,5,6)","InChI=1S/C4H6N2O/c1-6-3-4(5)7-2/h1,3,5H,2H3/b5-4-",48.07365,47.70746,
9947,[C:1]([O:2][c:3]1[c:4]([H:11])[n:5][c:6]([H:12])[n:7]1[H:13])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]1=[C:4]([H:11])[N:5]([H:12])[C:6][N:7]1[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-7-4-2-5-3-6-4/h2-3H,1H3,(H,5,6)","InChI=1S/C4H6N2O/c1-7-4-2-5-3-6-4/h2,5-6H,1H3",65.08614,33.386829999999996,
9948,[C:1]([O:2][c:3]1[c:4]([H:11])[n:5][c:6]([H:12])[n:7]1[H:13])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]1=[C:4]([H:11])[N:7]1[H:13])([H:8])([H:9])[H:10].[N:5]#[C:6][H:12],"InChI=1S/C4H6N2O/c1-7-4-2-5-3-6-4/h2-3H,1H3,(H,5,6)","InChI=1S/C3H5NO.CHN/c1-5-3-2-4-3;1-2/h2,4H,1H3;1H",102.65395,94.57191999999999,
9949,[C:1]([O:2][c:3]1[c:4]([H:11])[n:5][c:6]([H:12])[n:7]1[H:13])([H:8])([H:9])[H:10],[C:1]([O:2][c:3]1[c-:4][n:5]([H:11])[c+:6]([H:12])[n:7]1[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-7-4-2-5-3-6-4/h2-3H,1H3,(H,5,6)","InChI=1S/C4H6N2O/c1-7-4-2-5-3-6-4/h3,5-6H,1H3",79.32699000000001,48.039640000000006,
9950,[C:1]([O:2][c:3]1[c:4]([H:11])[n:5][c:6]([H:12])[n:7]1[H:13])([H:8])([H:9])[H:10],[C:1]([O+:2]=[C-:3][N:7]([C@@:6]1([H:12])[C:4]([H:11])=[N:5]1)[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-7-4-2-5-3-6-4/h2-3H,1H3,(H,5,6)","InChI=1S/C4H6N2O/c1-7-3-6-4-2-5-4/h2,4,6H,1H3/t4-/m0/s1",114.76391000000001,77.37647,
9951,[C:1]([O:2][c:3]1[c:4]([H:11])[n:5][c:6]([H:12])[n:7]1[H:13])([H:8])([H:9])[H:10],[C:1]([O:2]/[C:4](=[C:3]1/[N:5]=[C:6]([H:12])[N:7]1[H:13])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-7-4-2-5-3-6-4/h2-3H,1H3,(H,5,6)","InChI=1S/C4H6N2O/c1-7-2-4-5-3-6-4/h2-3H,1H3,(H,5,6)",140.62871,48.54922,
9952,[C:1]([O:2][c:3]1[c:4]([H:11])[n:5][c:6]([H:12])[n:7]1[H:13])([H:8])([H:9])[H:10],[C:1]([O:2][C@:3]1(/[C:6](=[N:7]/[H:13])[H:12])[C:4]([H:11])=[N:5]1)([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-7-4-2-5-3-6-4/h2-3H,1H3,(H,5,6)","InChI=1S/C4H6N2O/c1-7-4(2-5)3-6-4/h2-3,5H,1H3/b5-2+/t4-/m1/s1",105.99959,51.7934,
9953,[C:1]([O:2][c:3]1[c:4]([H:11])[n:5][c:6]([H:12])[n:7]1[H:13])([H:8])([H:9])[H:10],[C-:1]([O+:2]=[C:3]1[C:4]([H:9])([H:11])[N:5]=[C:6]([H:12])[N:7]1[H:13])([H:8])[H:10],"InChI=1S/C4H6N2O/c1-7-4-2-5-3-6-4/h2-3H,1H3,(H,5,6)","InChI=1S/C4H6N2O/c1-7-4-2-5-3-6-4/h3H,1-2H2,(H,5,6)",60.68105,60.67122,
9954,[C:1]([O:2][c:3]1[c:4]([H:11])[n:5][c:6]([H:12])[n:7]1[H:13])([H:8])([H:9])[H:10],[C:1]([O:2][C@@:3]1([H:11])[C-:4]=[N+:5]=[C:6]([H:12])[N:7]1[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-7-4-2-5-3-6-4/h2-3H,1H3,(H,5,6)","InChI=1S/C4H6N2O/c1-7-4-2-5-3-6-4/h3-4,6H,1H3/t4-/m0/s1",76.68297,75.7757,Singlet_Carbene_Intra_Disproportionation
9955,[C:1]([O:2][c:3]1[c:4]([H:11])[n:5][c:6]([H:12])[n:7]1[H:13])([H:8])([H:9])[H:10],[C:1]([O:2][C@@:3]1([H:12])[C:4]([H:11])=[N+:5]=[C-:6][N:7]1[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-7-4-2-5-3-6-4/h2-3H,1H3,(H,5,6)","InChI=1S/C4H6N2O/c1-7-4-2-5-3-6-4/h2,4,6H,1H3/t4-/m0/s1",117.95312,64.54037,
9956,[C:1]([O:2][c:3]1[c:4]([H:11])[n:5][c:6]([H:12])[n:7]1[H:13])([H:8])([H:9])[H:10],[C:1]([O:2][H:13])([H:8])([H:9])[H:10].[C:3]1=[C:4]([H:11])[N:5]=[C:6]([H:12])[N:7]=1,"InChI=1S/C4H6N2O/c1-7-4-2-5-3-6-4/h2-3H,1H3,(H,5,6)","InChI=1S/C3H2N2.CH4O/c1-2-5-3-4-1;1-2/h1,3H;2H,1H3",61.34509,93.37405,
9957,[C:1]([O:2][c:3]1[c:4]([H:11])[n:5][c:6]([H:12])[n:7]1[H:13])([H:8])([H:9])[H:10],[C:1]([O+:2]=[C:3]([N:7]([C-:6]([N+:5]#[C-:4])[H:12])[H:13])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-7-4-2-5-3-6-4/h2-3H,1H3,(H,5,6)","InChI=1S/C4H6N2O/c1-5-3-6-4-7-2/h3-4,6H,2H3",90.14109,71.28985,
9958,[C:1]([O:2][c:3]1[c:4]([H:11])[n:5][c:6]([H:12])[n:7]1[H:13])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]1=[N:7][C:6]([H:12])([H:13])[N:5]=[C:4]1[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-7-4-2-5-3-6-4/h2-3H,1H3,(H,5,6)","InChI=1S/C4H6N2O/c1-7-4-2-5-3-6-4/h2H,3H2,1H3",42.09117,9.92182,
9959,[C:1]([O:2][c:3]1[c:4]([H:11])[n:5][c:6]([H:12])[n:7]1[H:13])([H:8])([H:9])[H:10],[C:1]([O:2][C:4](=[C:3]=[N:7][H:13])[H:11])([H:8])([H:9])[H:10].[N:5]#[C:6][H:12],"InChI=1S/C4H6N2O/c1-7-4-2-5-3-6-4/h2-3H,1H3,(H,5,6)","InChI=1S/C3H5NO.CHN/c1-5-3-2-4;1-2/h3-4H,1H3;1H",100.024,52.55276,
9960,[C:1]([O:2][c:3]1[c:4]([H:11])[n:5][c:6]([H:12])[n:7]1[H:13])([H:8])([H:9])[H:10],[C:1]([O+:2]=[C-:3][N:7]([C:6](=[N+:5]=[C-:4][H:11])[H:12])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-7-4-2-5-3-6-4/h2-3H,1H3,(H,5,6)","InChI=1S/C4H6N2O/c1-5-3-6-4-7-2/h1,3,6H,2H3",80.33816,86.89426,
9961,[C:1]([O:2][c:3]1[c:4]([H:11])[n:5][c:6]([H:12])[n:7]1[H:13])([H:8])([H:9])[H:10],[C:1](=[O+:2][c:3]1[c:4]([H:11])[n:5][c:6]([H:12])[n-:7]1)([H:8])[H:10].[H:9][H:13],"InChI=1S/C4H6N2O/c1-7-4-2-5-3-6-4/h2-3H,1H3,(H,5,6)","InChI=1S/C4H4N2O.H2/c1-7-4-2-5-3-6-4;/h2-3H,1H2;1H",69.50901,58.721219999999995,
9962,[C:1]([O:2][c:3]1[c:4]([H:11])[n:5][c:6]([H:12])[n:7]1[H:13])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]1=[C:4]([H:11])[N:5]1/[C:6](=[N:7]/[H:13])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-7-4-2-5-3-6-4/h2-3H,1H3,(H,5,6)","InChI=1S/C4H6N2O/c1-7-4-2-6(4)3-5/h2-3,5H,1H3/b5-3+",89.59925,83.68513,
9963,[O:1]=[C:2]([C:3]#[C:4][H:8])[C@@:5]1([H:9])[C:6]([H:10])([H:11])[N:7]1[H:12],[C:3](#[C:4][H:8])[C:6](/[C:5](=[N:7]\[H:12])[H:9])([H:10])[H:11].[O+:1]#[C-:2],"InChI=1S/C5H5NO/c1-2-5(7)4-3-6-4/h1,4,6H,3H2/t4-/m1/s1","InChI=1S/C4H5N.CO/c1-2-3-4-5;1-2/h1,4-5H,3H2;/b5-4-;",57.709680000000006,-10.912989999999999,
9964,[O:1]=[C:2]([C:3]#[C:4][H:8])[C@@:5]1([H:9])[C:6]([H:10])([H:11])[N:7]1[H:12],[O:1]=[C:2]=[C:3]=[C:4]([C:6](/[C:5](=[N:7]\[H:12])[H:9])([H:10])[H:11])[H:8],"InChI=1S/C5H5NO/c1-2-5(7)4-3-6-4/h1,4,6H,3H2/t4-/m1/s1","InChI=1S/C5H5NO/c6-4-2-1-3-5-7/h1,4,6H,2H2/b6-4-",51.81922,-19.77856,
9965,[O:1]=[C:2]([C:3]#[C:4][H:8])[C@@:5]1([H:9])[C:6]([H:10])([H:11])[N:7]1[H:12],[O:1]=[C:2]([C:3](=[C:4])[H:8])[C@@:5]1([H:9])[C:6]([H:10])([H:11])[N:7]1[H:12],"InChI=1S/C5H5NO/c1-2-5(7)4-3-6-4/h1,4,6H,3H2/t4-/m1/s1","InChI=1S/C5H5NO/c1-2-5(7)4-3-6-4/h2,4,6H,3H2/t4-/m1/s1",42.60215,45.1816,Singlet_Carbene_Intra_Disproportionation
9966,[O:1]=[C:2]([C:3]#[C:4][H:8])[C@@:5]1([H:9])[C:6]([H:10])([H:11])[N:7]1[H:12],[O:1]1[C:2]([C:3]#[C:4][H:8])=[C:5]([H:9])[C:6]([H:10])([H:11])[N:7]1[H:12],"InChI=1S/C5H5NO/c1-2-5(7)4-3-6-4/h1,4,6H,3H2/t4-/m1/s1","InChI=1S/C5H5NO/c1-2-5-3-4-6-7-5/h1,3,6H,4H2",52.68691999999999,26.15469,ketoenol
9967,[O:1]=[C:2]([C:3]#[C:4][H:8])[C@@:5]1([H:9])[C:6]([H:10])([H:11])[N:7]1[H:12],[C:5]1([H:9])=[N:7][C:6]1([H:10])[H:11].[O:1]=[C:2]=[C:3]=[C:4]([H:8])[H:12],"InChI=1S/C5H5NO/c1-2-5(7)4-3-6-4/h1,4,6H,3H2/t4-/m1/s1","InChI=1S/C3H2O.C2H3N/c1-2-3-4;1-2-3-1/h1H2;1H,2H2",35.254020000000004,29.8357,Retroene
9968,[O:1]=[C:2]([C:3]#[C:4][H:8])[C@@:5]1([H:9])[C:6]([H:10])([H:11])[N:7]1[H:12],[O-:1][C:2]([C:3](=[C+:4][H:8])[H:9])=[C:5]1[C:6]([H:10])([H:11])[N:7]1[H:12],"InChI=1S/C5H5NO/c1-2-5(7)4-3-6-4/h1,4,6H,3H2/t4-/m1/s1","InChI=1S/C5H5NO/c1-2-5(7)4-3-6-4/h1-2,6H,3H2",64.55849,66.55159,
9969,[O:1]=[C:2]([C:3]#[C:4][H:8])[C@@:5]1([H:9])[C:6]([H:10])([H:11])[N:7]1[H:12],[O:1]=[C:2]([C:3](=[C-:4][H:8])[H:11])[C@@:5]1([H:9])[C+:6]([H:10])[N:7]1[H:12],"InChI=1S/C5H5NO/c1-2-5(7)4-3-6-4/h1,4,6H,3H2/t4-/m1/s1","InChI=1S/C5H5NO/c1-2-5(7)4-3-6-4/h1-4,6H/t4-/m1/s1",99.30897,66.34076,
9970,[O:1]=[C:2]([C:3]#[C:4][H:8])[C@@:5]1([H:9])[C:6]([H:10])([H:11])[N:7]1[H:12],[O-:1][C:2]([C:3]#[C:4][H:8])=[C:5]([N:7]([C+:6]([H:10])[H:11])[H:12])[H:9],"InChI=1S/C5H5NO/c1-2-5(7)4-3-6-4/h1,4,6H,3H2/t4-/m1/s1","InChI=1S/C5H5NO/c1-3-5(7)4-6-2/h1,4,6H,2H2",31.485440000000004,8.727160000000001,
9971,[O:1]=[C:2]([C:3]#[C:4][H:8])[C@@:5]1([H:9])[C:6]([H:10])([H:11])[N:7]1[H:12],[O:1]=[C:2]([C:3]#[C:4][H:8])[C@@:5]1([H:9])[C-:6]([H:10])[N+:7]1([H:11])[H:12],"InChI=1S/C5H5NO/c1-2-5(7)4-3-6-4/h1,4,6H,3H2/t4-/m1/s1","InChI=1S/C5H5NO/c1-2-5(7)4-3-6-4/h1,3-4H,6H2/t4-/m1/s1",64.32578000000001,50.705009999999994,
9972,[O:1]=[C:2]([C:3]#[C:4][H:8])[C@@:5]1([H:9])[C:6]([H:10])([H:11])[N:7]1[H:12],[O:1]([C@:2]([C:3]#[C:4][H:8])([C@@:5]1([H:9])[C:6]([H:11])=[N:7]1)[H:10])[H:12],"InChI=1S/C5H5NO/c1-2-5(7)4-3-6-4/h1,4,6H,3H2/t4-/m1/s1","InChI=1S/C5H5NO/c1-2-5(7)4-3-6-4/h1,3-5,7H/t4-,5-/m1/s1",74.98548000000001,25.371779999999998,
9973,[O:1]=[C:2]([C:3]#[C:4][H:8])[C@@:5]1([H:9])[C:6]([H:10])([H:11])[N:7]1[H:12],[C:3](#[C:4][H:8])[N:7]([C:5](=[C:6]([H:10])[H:11])[H:9])[H:12].[O+:1]#[C-:2],"InChI=1S/C5H5NO/c1-2-5(7)4-3-6-4/h1,4,6H,3H2/t4-/m1/s1","InChI=1S/C4H5N.CO/c1-3-5-4-2;1-2/h1,4-5H,2H2;",62.646919999999994,-4.67013,
9974,[O:1]=[C:2]([C:3]#[C:4][H:8])[C@@:5]1([H:9])[C:6]([H:10])([H:11])[N:7]1[H:12],[O:1]=[C:4]([C:3]#[C:2][C@@:5]1([H:9])[C:6]([H:10])([H:11])[N:7]1[H:12])[H:8],"InChI=1S/C5H5NO/c1-2-5(7)4-3-6-4/h1,4,6H,3H2/t4-/m1/s1","InChI=1S/C5H5NO/c7-3-1-2-5-4-6-5/h3,5-6H,4H2/t5-/m0/s1",71.09071999999999,2.3665700000000003,
9975,[O:1]=[C:2]([C:3]#[C:4][H:8])[C@@:5]1([H:9])[C:6]([H:10])([H:11])[N:7]1[H:12],[O:1]=[C:2]=[C:3]1[C:4]([H:8])([H:10])[C@:6]2([H:11])[C@@:5]1([H:9])[N:7]2[H:12],"InChI=1S/C5H5NO/c1-2-5(7)4-3-6-4/h1,4,6H,3H2/t4-/m1/s1","InChI=1S/C5H5NO/c7-2-3-1-4-5(3)6-4/h4-6H,1H2/t4-,5+/m1/s1",66.18224000000001,-4.05708,
9976,[O:1]=[C:2]([C:3]#[C:4][H:8])[C@@:5]1([H:9])[C:6]([H:10])([H:11])[N:7]1[H:12],[O+:1](=[C-:2][C@@:5]1([H:9])[C:6]([H:10])([H:11])[N:7]1[H:12])[C:3]#[C:4][H:8],"InChI=1S/C5H5NO/c1-2-5(7)4-3-6-4/h1,4,6H,3H2/t4-/m1/s1","InChI=1S/C5H5NO/c1-2-7-4-5-3-6-5/h1,5-6H,3H2/t5-/m1/s1",94.35564000000001,79.19143000000001,
9977,[O:1]=[C:2]([C:3]#[C:4][H:8])[C@@:5]1([H:9])[C:6]([H:10])([H:11])[N:7]1[H:12],[O:1]=[C:2]([C:3]#[C:4][H:8])[C:6](/[C:5](=[N:7]\[H:12])[H:9])([H:10])[H:11],"InChI=1S/C5H5NO/c1-2-5(7)4-3-6-4/h1,4,6H,3H2/t4-/m1/s1","InChI=1S/C5H5NO/c1-2-5(7)3-4-6/h1,4,6H,3H2/b6-4-",75.43614000000001,-12.96577,
9978,[O:1]=[C:2]([C:3]#[C:4][H:8])[C@@:5]1([H:9])[C:6]([H:10])([H:11])[N:7]1[H:12],[C:6](=[N:7][H:12])([H:10])[H:11].[O:1]=[C:2]=[C:5]([C:3]#[C:4][H:8])[H:9],"InChI=1S/C5H5NO/c1-2-5(7)4-3-6-4/h1,4,6H,3H2/t4-/m1/s1","InChI=1S/C4H2O.CH3N/c1-2-3-4-5;1-2/h1,3H;2H,1H2",67.115,8.2527,
9979,[O:1]=[C:2]([C:3]#[C:4][H:8])[C@@:5]1([H:9])[C:6]([H:10])([H:11])[N:7]1[H:12],[C:6](=[N:7][H:12])([H:10])[H:11].[O:1]=[C:2]1[C:3]2=[C:4]([H:8])[C@@:5]12[H:9],"InChI=1S/C5H5NO/c1-2-5(7)4-3-6-4/h1,4,6H,3H2/t4-/m1/s1","InChI=1S/C4H2O.CH3N/c5-4-2-1-3(2)4;1-2/h1-2H;2H,1H2/t2-;/m1./s1",66.16135,50.420809999999996,
9980,[O:1]=[C:2]([C:3]#[C:4][H:8])[C@@:5]1([H:9])[C:6]([H:10])([H:11])[N:7]1[H:12],[O:1]=[C:2]1[C:3]2=[C:4]([H:8])[N:7]([H:12])[C:6]([H:10])([H:11])[C@:5]12[H:9],"InChI=1S/C5H5NO/c1-2-5(7)4-3-6-4/h1,4,6H,3H2/t4-/m1/s1","InChI=1S/C5H5NO/c7-5-3-1-6-2-4(3)5/h1,4,6H,2H2/t4-/m0/s1",77.72291,-2.69827,
9981,[O:1]=[C:2]([C:3]#[C:4][H:8])[C@@:5]1([H:9])[C:6]([H:10])([H:11])[N:7]1[H:12],[O:1]=[C:2]=[C:3]=[C:4]([N:7]([C:5](=[C:6]([H:10])[H:11])[H:9])[H:12])[H:8],"InChI=1S/C5H5NO/c1-2-5(7)4-3-6-4/h1,4,6H,3H2/t4-/m1/s1","InChI=1S/C5H5NO/c1-2-6-4-3-5-7/h2,4,6H,1H2",54.231359999999995,-31.209359999999997,
9982,[O:1]=[C:2]([C:3]#[C:4][H:8])[C@@:5]1([H:9])[C:6]([H:10])([H:11])[N:7]1[H:12],[O:1]=[C:2]([C:3]#[C:4][H:8])[C:5]([N:7]([C:6][H:11])[H:12])([H:9])[H:10],"InChI=1S/C5H5NO/c1-2-5(7)4-3-6-4/h1,4,6H,3H2/t4-/m1/s1","InChI=1S/C5H5NO/c1-3-5(7)4-6-2/h1-2,6H,4H2",73.47319,36.75096,
9983,[O:1]=[C:2]([C:3]#[C:4][H:8])[C@@:5]1([H:9])[C:6]([H:10])([H:11])[N:7]1[H:12],[O-:1][C:2]([C:3]#[C:4][H:8])=[C+:5][N:7]([C:6]([H:9])([H:10])[H:11])[H:12],"InChI=1S/C5H5NO/c1-2-5(7)4-3-6-4/h1,4,6H,3H2/t4-/m1/s1","InChI=1S/C5H5NO/c1-3-5(7)4-6-2/h1,6H,2H3",71.19935,21.41651,
9984,[O:1]=[C:2]([C:3]#[C:4][H:8])[C@@:5]1([H:9])[C:6]([H:10])([H:11])[N:7]1[H:12],[O:1](/[C:2]([C:3]#[C:4][H:8])=[C:5]([C:6](=[N:7]/[H:12])\[H:11])/[H:9])[H:10],"InChI=1S/C5H5NO/c1-2-5(7)4-3-6-4/h1,4,6H,3H2/t4-/m1/s1","InChI=1S/C5H5NO/c1-2-5(7)3-4-6/h1,3-4,6-7H/b5-3-,6-4-",52.03516,-12.73124,
9985,[O:1]=[C:2]([C:3]#[C:4][H:8])[C@@:5]1([H:9])[C:6]([H:10])([H:11])[N:7]1[H:12],[O-:1][C:2]([C:3]#[C:4][H:8])=[C:5]1[C:6]([H:10])([H:11])[N+:7]1([H:9])[H:12],"InChI=1S/C5H5NO/c1-2-5(7)4-3-6-4/h1,4,6H,3H2/t4-/m1/s1","InChI=1S/C5H5NO/c1-2-5(7)4-3-6-4/h1,6-7H,3H2",57.26152,35.06879,
9986,[O:1]=[C:2]([C:3]#[C:4][H:8])[C@@:5]1([H:9])[C:6]([H:10])([H:11])[N:7]1[H:12],[O:1]=[C:2]([C:3]#[C:4][H:8])[N:7]([C:5](=[C:6]([H:10])[H:11])[H:9])[H:12],"InChI=1S/C5H5NO/c1-2-5(7)4-3-6-4/h1,4,6H,3H2/t4-/m1/s1","InChI=1S/C5H5NO/c1-3-5(7)6-4-2/h1,4H,2H2,(H,6,7)",70.52509,-24.92752,
9987,[O:1]=[C:2]([C:3]#[C:4][H:8])[C@@:5]1([H:9])[C:6]([H:10])([H:11])[N:7]1[H:12],[O+:1]#[C:2][C:3](=[C-:4][H:8])[N:7]([C:5](=[C:6]([H:10])[H:11])[H:9])[H:12],"InChI=1S/C5H5NO/c1-2-5(7)4-3-6-4/h1,4,6H,3H2/t4-/m1/s1","InChI=1S/C5H5NO/c1-3-6-5(2)4-7/h2-3,6H,1H2",62.70924,9.335939999999999,
9988,[O:1]=[C:2]([C:3]#[C:4][H:8])[C@@:5]1([H:9])[C:6]([H:10])([H:11])[N:7]1[H:12],[O:1]([C+:2]([C:3]#[C-:4])[C@@:5]1([H:9])[C:6]([H:10])([H:11])[N:7]1[H:12])[H:8],"InChI=1S/C5H5NO/c1-2-5(7)4-3-6-4/h1,4,6H,3H2/t4-/m1/s1","InChI=1S/C5H5NO/c1-2-5(7)4-3-6-4/h4,6-7H,3H2/t4-/m1/s1",72.15872,44.10797,
9989,[O:1]=[C:2]([C:3]#[C:4][H:8])[C@@:5]1([H:9])[C:6]([H:10])([H:11])[N:7]1[H:12],[O:1]=[C:2]1[C:3](=[C:4]([H:8])[H:10])[C@:6]2([H:11])[C@@:5]1([H:9])[N:7]2[H:12],"InChI=1S/C5H5NO/c1-2-5(7)4-3-6-4/h1,4,6H,3H2/t4-/m1/s1","InChI=1S/C5H5NO/c1-2-3-4(6-3)5(2)7/h3-4,6H,1H2/t3-,4-/m1/s1",66.18444000000001,-11.4153,
9990,[O:1]([C:2]([C:3]([C:4](=[O:5])[C:6]([O:7][H:15])([H:13])[H:14])([H:11])[H:12])([H:9])[H:10])[H:8],[C:2](=[C:3]([H:11])[H:12])([H:9])[H:10].[O:1]([C:4](=[O:5])[C:6]([O:7][H:15])([H:13])[H:14])[H:8],"InChI=1S/C4H8O3/c5-2-1-4(7)3-6/h5-6H,1-3H2","InChI=1S/C2H4O3.C2H4/c3-1-2(4)5;1-2/h3H,1H2,(H,4,5);1-2H2",52.04218,2.05215,
9991,[O:1]([C:2]([C:3]([C:4](=[O:5])[C:6]([O:7][H:15])([H:13])[H:14])([H:11])[H:12])([H:9])[H:10])[H:8],[O:1]([C:2]([O:5][C:4](=[C:3]([H:11])[H:12])[C:6]([O:7][H:15])([H:13])[H:14])([H:9])[H:10])[H:8],"InChI=1S/C4H8O3/c5-2-1-4(7)3-6/h5-6H,1-3H2","InChI=1S/C4H8O3/c1-4(2-5)7-3-6/h5-6H,1-3H2",59.65331,16.73552,ketoenol
9992,[O:1]([C:2]([C:3]([C:4](=[O:5])[C:6]([O:7][H:15])([H:13])[H:14])([H:11])[H:12])([H:9])[H:10])[H:8],[C:3](=[C:4]([O:5][H:8])[C:6]([O:7][H:15])([H:13])[H:14])([H:11])[H:12].[O:1]=[C:2]([H:9])[H:10],"InChI=1S/C4H8O3/c5-2-1-4(7)3-6/h5-6H,1-3H2","InChI=1S/C3H6O2.CH2O/c1-3(5)2-4;1-2/h4-5H,1-2H2;1H2",27.706129999999998,27.49598,Retroene
9993,[O:1]([C:2]([C:3]([C:4](=[O:5])[C:6]([O:7][H:15])([H:13])[H:14])([H:11])[H:12])([H:9])[H:10])[H:8],[O:1]([C:2]([C:3]([C@:4]([O:5][H:15])([C:6](=[O:7])[H:14])[H:13])([H:11])[H:12])([H:9])[H:10])[H:8],"InChI=1S/C4H8O3/c5-2-1-4(7)3-6/h5-6H,1-3H2","InChI=1S/C4H8O3/c5-2-1-4(7)3-6/h3-5,7H,1-2H2/t4-/m0/s1",35.0187,4.14502,
9994,[O:1]([C:2]([C:3]([C:4](=[O:5])[C:6]([O:7][H:15])([H:13])[H:14])([H:11])[H:12])([H:9])[H:10])[H:8],[O:1]([C:2]([C:3]([C@:4]1([O:5][H:15])[C:6]([H:13])([H:14])[O:7]1)([H:11])[H:12])([H:9])[H:10])[H:8],"InChI=1S/C4H8O3/c5-2-1-4(7)3-6/h5-6H,1-3H2","InChI=1S/C4H8O3/c5-2-1-4(6)3-7-4/h5-6H,1-3H2/t4-/m1/s1",48.24689,22.375420000000002,
9995,[O:1]([C:2]([C:3]([C:4](=[O:5])[C:6]([O:7][H:15])([H:13])[H:14])([H:11])[H:12])([H:9])[H:10])[H:8],[O:1]([C:2](/[C:3](=[C:4](/[O:5][H:12])[C:6]([O:7][H:15])([H:13])[H:14])[H:11])([H:9])[H:10])[H:8],"InChI=1S/C4H8O3/c5-2-1-4(7)3-6/h5-6H,1-3H2","InChI=1S/C4H8O3/c5-2-1-4(7)3-6/h1,5-7H,2-3H2/b4-1+",64.25820999999999,13.74044,ketoenol
9996,[O:1]([C:2]([C:3]([C:4](=[O:5])[C:6]([O:7][H:15])([H:13])[H:14])([H:11])[H:12])([H:9])[H:10])[H:8],[C:2](=[C:3]([C:4](=[O:5])[C:6]([O:7][H:15])([H:13])[H:14])[H:11])([H:9])[H:10].[O:1]([H:8])[H:12],"InChI=1S/C4H8O3/c5-2-1-4(7)3-6/h5-6H,1-3H2","InChI=1S/C4H6O2.H2O/c1-2-4(6)3-5;/h2,5H,1,3H2;1H2",50.608999999999995,9.5795,"1,3_Insertion_ROR"
9997,[O:1]([C:2]([C:3]([C:4](=[O:5])[C:6]([O:7][H:15])([H:13])[H:14])([H:11])[H:12])([H:9])[H:10])[H:8],[O:1]1[C:2]([H:9])([H:10])[C:3]([H:11])([H:12])[C@:4]1([O:5][H:8])[C:6]([O:7][H:15])([H:13])[H:14],"InChI=1S/C4H8O3/c5-2-1-4(7)3-6/h5-6H,1-3H2","InChI=1S/C4H8O3/c5-3-4(6)1-2-7-4/h5-6H,1-3H2/t4-/m1/s1",43.9877,16.406579999999998,
9998,[O:1]([C:2]([C:3]([C:4](=[O:5])[C:6]([O:7][H:15])([H:13])[H:14])([H:11])[H:12])([H:9])[H:10])[H:8],[O:1]([C:2]([C:3]([O+:5]=[C-:4][C:6]([O:7][H:15])([H:13])[H:14])([H:11])[H:12])([H:9])[H:10])[H:8],"InChI=1S/C4H8O3/c5-2-1-4(7)3-6/h5-6H,1-3H2","InChI=1S/C4H8O3/c5-1-3-7-4-2-6/h5-6H,1-3H2",108.93231999999999,69.38744,
9999,[O:1]([C:2]([C:3]([C:4](=[O:5])[C:6]([O:7][H:15])([H:13])[H:14])([H:11])[H:12])([H:9])[H:10])[H:8],[H:8][H:10].[O:1]=[C:2]([C:3]([C:4](=[O:5])[C:6]([O:7][H:15])([H:13])[H:14])([H:11])[H:12])[H:9],"InChI=1S/C4H8O3/c5-2-1-4(7)3-6/h5-6H,1-3H2","InChI=1S/C4H6O3.H2/c5-2-1-4(7)3-6;/h2,6H,1,3H2;1H",81.47058,19.15158,
10000,[O:1]([C:2]([C:3]([C:4](=[O:5])[C:6]([O:7][H:15])([H:13])[H:14])([H:11])[H:12])([H:9])[H:10])[H:8],[C:4](=[O:5])([C:6]([O:7][H:15])([H:13])[H:14])[H:10].[O:1]([C:2](=[C:3]([H:11])[H:12])[H:9])[H:8],"InChI=1S/C4H8O3/c5-2-1-4(7)3-6/h5-6H,1-3H2","InChI=1S/C2H4O2.C2H4O/c3-1-2-4;1-2-3/h1,4H,2H2;2-3H,1H2",61.92086,27.91998,
10001,[O:1]([C:2]([C:3]([C:4](=[O:5])[C:6]([O:7][H:15])([H:13])[H:14])([H:11])[H:12])([H:9])[H:10])[H:8],[O:1]([C:2]([C:3](/[C:4]([O:5][H:15])=[C:6](/[O:7][H:13])[H:14])([H:11])[H:12])([H:9])[H:10])[H:8],"InChI=1S/C4H8O3/c5-2-1-4(7)3-6/h5-6H,1-3H2","InChI=1S/C4H8O3/c5-2-1-4(7)3-6/h3,5-7H,1-2H2/b4-3-",61.461999999999996,8.55769,ketoenol
10003,[O:1]([C:2]([C:3]([C:4](=[O:5])[C:6]([O:7][H:15])([H:13])[H:14])([H:11])[H:12])([H:9])[H:10])[H:8],[C:3]([C:4](=[O:5])[C:6]([O:7][H:15])([H:13])[H:14])([H:10])([H:11])[H:12].[O:1]([C:2][H:9])[H:8],"InChI=1S/C4H8O3/c5-2-1-4(7)3-6/h5-6H,1-3H2","InChI=1S/C3H6O2.CH2O/c1-3(5)2-4;1-2/h4H,2H2,1H3;1-2H",64.8217,70.21972,
10004,[O:1]([C:2]([C:3]([C:4](=[O:5])[C:6]([O:7][H:15])([H:13])[H:14])([H:11])[H:12])([H:9])[H:10])[H:8],[C:3](=[C:4]=[O:5])([H:11])[H:12].[C:6]([O:7][H:15])([H:8])([H:13])[H:14].[O:1]=[C:2]([H:9])[H:10],"InChI=1S/C4H8O3/c5-2-1-4(7)3-6/h5-6H,1-3H2","InChI=1S/C2H2O.CH4O.CH2O/c1-2-3;2*1-2/h1H2;2H,1H3;1H2",69.05894,42.67474,
10005,[O:1]([C:2]([C:3]([C:4](=[O:5])[C:6]([O:7][H:15])([H:13])[H:14])([H:11])[H:12])([H:9])[H:10])[H:8],[C:2]1([H:9])([H:10])[C:3]([H:11])([H:12])[C:4](=[O:5])[C@:6]1([O:7][H:15])[H:14].[O:1]([H:8])[H:13],"InChI=1S/C4H8O3/c5-2-1-4(7)3-6/h5-6H,1-3H2","InChI=1S/C4H6O2.H2O/c5-3-1-2-4(3)6;/h3,5H,1-2H2;1H2/t3-;/m0./s1",59.28925,14.670739999999999,
10006,[O:1]([C:2]([C:3]([C:4](=[O:5])[C:6]([O:7][H:15])([H:13])[H:14])([H:11])[H:12])([H:9])[H:10])[H:8],[C:6]([O:7][H:15])([H:8])([H:13])[H:14].[O:1]1[C:2]([H:9])([H:10])[C:3]([H:11])([H:12])[C:4]1=[O:5],"InChI=1S/C4H8O3/c5-2-1-4(7)3-6/h5-6H,1-3H2","InChI=1S/C3H4O2.CH4O/c4-3-1-2-5-3;1-2/h1-2H2;2H,1H3",69.46415,14.08946,
10007,[O:1]([C:2]([C:3]([C:4](=[O:5])[C:6]([O:7][H:15])([H:13])[H:14])([H:11])[H:12])([H:9])[H:10])[H:8],[H:13][H:15].[O:1]([C:2]([C:3]([C:4](=[O:5])[C:6](=[O:7])[H:14])([H:11])[H:12])([H:9])[H:10])[H:8],"InChI=1S/C4H8O3/c5-2-1-4(7)3-6/h5-6H,1-3H2","InChI=1S/C4H6O3.H2/c5-2-1-4(7)3-6;/h3,5H,1-2H2;1H",90.62788,26.7896,
10008,[C:1]([C:2]([C:3]([C:4]([H:13])([H:14])[H:15])([C:5]([H:16])([H:17])[H:18])[C:6]#[N:7])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](=[C:2]([H:11])[H:12])([H:8])[H:10].[C:3]([C:4]([H:13])([H:14])[H:15])([C:5]([H:16])([H:17])[H:18])=[C:6]=[N:7][H:9],"InChI=1S/C6H11N/c1-4-6(2,3)5-7/h4H2,1-3H3","InChI=1S/C4H7N.C2H4/c1-4(2)3-5;1-2/h5H,1-2H3;1-2H2",52.623619999999995,43.24287,Retroene
10009,[C:1]([C:2]([C:3]([C:4]([H:13])([H:14])[H:15])([C:5]([H:16])([H:17])[H:18])[C:6]#[N:7])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:3]([C:4]([H:13])([H:14])[H:15])([C-:6]=[N+:7]=[C:5]([H:16])[H:17])[H:18])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H11N/c1-4-6(2,3)5-7/h4H2,1-3H3","InChI=1S/C6H11N/c1-4-6(2)5-7-3/h6H,3-4H2,1-2H3/t6-/m1/s1",105.79243999999998,46.15337,
10010,[C:1]([C:2]([C:3]([C:4]([H:13])([H:14])[H:15])([C:5]([H:16])([H:17])[H:18])[C:6]#[N:7])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([C:4]([H:13])([H:14])[H:15])([C:5]([H:16])([H:17])[H:18])[N+:7]#[C-:6])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H11N/c1-4-6(2,3)5-7/h4H2,1-3H3","InChI=1S/C6H11N/c1-5-6(2,3)7-4/h5H2,1-3H3",58.80758,23.50939,
10011,[C:1]([C:2]([C:3]([C:4]([H:13])([H:14])[H:15])([C:5]([H:16])([H:17])[H:18])[C:6]#[N:7])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([C:4]([H:13])([H:14])[H:15])=[C:6]=[N:7][C:5]([H:16])([H:17])[H:18])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H11N/c1-4-6(2,3)5-7/h4H2,1-3H3","InChI=1S/C6H11N/c1-4-6(2)5-7-3/h4H2,1-3H3",80.30679,25.70429,
10012,[C:1]([C:2]([C:3]([C:4]([H:13])([H:14])[H:15])([C:5]([H:16])([H:17])[H:18])[C:6]#[N:7])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C@:2]1([H:12])[C:3]([C:4]([H:13])([H:14])[H:15])([C:5]([H:16])([H:17])[H:18])/[C:6]1=[N:7]/[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H11N/c1-4-6(2,3)5-7/h4H2,1-3H3","InChI=1S/C6H11N/c1-4-5(7)6(4,2)3/h4,7H,1-3H3/b7-5+/t4-/m0/s1",104.04767,31.38969,
10013,[C:1]([C:2]([C:3]([C:4]([H:13])([H:14])[H:15])([C:5]([H:16])([H:17])[H:18])[C:6]#[N:7])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C+:3]=[C:6]=[N-:7])([H:11])[H:12])([H:8])([H:9])[H:10].[C:4]([C:5]([H:16])([H:17])[H:18])([H:13])([H:14])[H:15],"InChI=1S/C6H11N/c1-4-6(2,3)5-7/h4H2,1-3H3","InChI=1S/C4H5N.C2H6/c1-2-3-4-5;1-2/h2H2,1H3;1-2H3",126.64251000000002,86.95766,
10014,[C:1]([C:2]([C:3]([C:4]([H:13])([H:14])[H:15])([C:5]([H:16])([H:17])[H:18])[C:6]#[N:7])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([C:4]([C:6]#[N:7])([H:13])[H:14])=[C:5]([H:16])[H:17])([H:11])[H:12])([H:8])([H:9])[H:10].[H:15][H:18],"InChI=1S/C6H11N/c1-4-6(2,3)5-7/h4H2,1-3H3","InChI=1S/C6H9N.H2/c1-3-6(2)4-5-7;/h2-4H2,1H3;1H",108.17771,31.08537,
10015,[C:1]([C:2]([C:3]([C:4]([H:13])([H:14])[H:15])([C:5]([H:16])([H:17])[H:18])[C:6]#[N:7])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@:3]([C:5]([H:16])([H:17])[H:18])([C:6]1=[N:7][C:4]1([H:13])[H:14])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H11N/c1-4-6(2,3)5-7/h4H2,1-3H3","InChI=1S/C6H11N/c1-3-5(2)6-4-7-6/h5H,3-4H2,1-2H3/t5-/m0/s1",106.56022,38.0634,
10016,[C:1]([C:2]([C:3]([C:4]([H:13])([H:14])[H:15])([C:5]([H:16])([H:17])[H:18])[C:6]#[N:7])([H:11])[H:12])([H:8])([H:9])[H:10],[C@:1]1([C:6]#[N:7])([H:8])[C:2]([H:11])([H:12])[C:3]1([C:4]([H:13])([H:14])[H:15])[C:5]([H:16])([H:17])[H:18].[H:9][H:10],"InChI=1S/C6H11N/c1-4-6(2,3)5-7/h4H2,1-3H3","InChI=1S/C6H9N.H2/c1-6(2)3-5(6)4-7;/h5H,3H2,1-2H3;1H/t5-;/m1./s1",110.22235,33.30823,
10017,[C:1]([C:2]([C:3]([C:4]([H:13])([H:14])[H:15])([C:5]([H:16])([H:17])[H:18])[C:6]#[N:7])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](=[C:2]([H:11])[H:12])([H:8])[H:10].[C:3]([C:4]([H:13])([H:14])[H:15])(=[C:5]([H:16])[H:17])[C:6]#[N:7].[H:9][H:18],"InChI=1S/C6H11N/c1-4-6(2,3)5-7/h4H2,1-3H3","InChI=1S/C4H5N.C2H4.H2/c1-4(2)3-5;1-2;/h1H2,2H3;1-2H2;1H",73.81743,52.38066,
10018,[C:1]([C:2]([C:3]([C:4]([H:13])([H:14])[H:15])([C:5]([H:16])([H:17])[H:18])[C:6]#[N:7])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([H:9])([H:11])[H:12])([N:7]=[C:6]=[C:3]([C:4]([H:13])([H:14])[H:15])[C:5]([H:16])([H:17])[H:18])([H:8])[H:10],"InChI=1S/C6H11N/c1-4-6(2,3)5-7/h4H2,1-3H3","InChI=1S/C6H11N/c1-4-7-5-6(2)3/h4H2,1-3H3",85.49450999999999,23.78699,
10019,[C:1]([C:2]([C:3]([C:4]([H:13])([H:14])[H:15])([C:5]([H:16])([H:17])[H:18])[C:6]#[N:7])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]1([H:8])([H:10])[C:2]([H:11])([H:12])[C:3]([C:4]([H:13])([H:14])[H:15])([C:5]([H:16])([H:17])[H:18])[C:6][N:7]1[H:9],"InChI=1S/C6H11N/c1-4-6(2,3)5-7/h4H2,1-3H3","InChI=1S/C6H11N/c1-6(2)3-4-7-5-6/h7H,3-4H2,1-2H3",81.6493,46.14982,
10020,[C:1]([O:2][C:3]([C@@:4]([C:5]([H:14])([H:15])[H:16])([C:6]#[N:7])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]([C@@:4]([C:5]([H:14])([H:15])[H:16])([N+:7]#[C-:6])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-5(3-6)4-7-2/h5H,4H2,1-2H3/t5-/m0/s1","InChI=1S/C5H9NO/c1-5(6-2)4-7-3/h5H,4H2,1,3H3/t5-/m1/s1",58.253130000000006,24.9315,
10021,[C:1]([O:2][C:3]([C@@:4]([C:5]([H:14])([H:15])[H:16])([C:6]#[N:7])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O+:2]=[C-:3][H:11])([H:8])([H:9])[H:10].[C:4]([C:5]([H:14])([H:15])[H:16])([C:6]#[N:7])([H:12])[H:13],"InChI=1S/C5H9NO/c1-5(3-6)4-7-2/h5H,4H2,1-2H3/t5-/m0/s1","InChI=1S/C3H5N.C2H4O/c1-2-3-4;1-3-2/h2H2,1H3;1H,2H3",65.78828,68.11043000000001,
10022,[C:1]([O:2][C:3]([C@@:4]([C:5]([H:14])([H:15])[H:16])([C:6]#[N:7])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]([C:4](=[C:5]([H:14])[H:16])[C:6]#[N:7])([H:11])[H:12])([H:8])([H:9])[H:10].[H:13][H:15],"InChI=1S/C5H9NO/c1-5(3-6)4-7-2/h5H,4H2,1-2H3/t5-/m0/s1","InChI=1S/C5H7NO.H2/c1-5(3-6)4-7-2;/h1,4H2,2H3;1H",98.33949,29.06261,
10023,[C:1]([O:2][C:3]([C@@:4]([C:5]([H:14])([H:15])[H:16])([C:6]#[N:7])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C:5]([H:14])([H:15])[H:16])([H:8])([H:9])[H:10].[C:3](=[C:4]([C:6]#[N:7])[H:13])([H:11])[H:12],"InChI=1S/C5H9NO/c1-5(3-6)4-7-2/h5H,4H2,1-2H3/t5-/m0/s1","InChI=1S/C3H3N.C2H6O/c1-2-3-4;1-3-2/h2H,1H2;1-2H3",76.73559,23.18299,
10024,[C:1]([O:2][C:3]([C@@:4]([C:5]([H:14])([H:15])[H:16])([C:6]#[N:7])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]([C:4](=[C:6]=[N:7][C:5]([H:14])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-5(3-6)4-7-2/h5H,4H2,1-2H3/t5-/m0/s1","InChI=1S/C5H9NO/c1-6-4-3-5-7-2/h3H,5H2,1-2H3",84.85200999999999,26.790459999999996,
10025,[C:1]([O:2][C:3]([C@@:4]([C:5]([H:14])([H:15])[H:16])([C:6]#[N:7])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]([C:4]([C-:6]=[N+:7]=[C:5]([H:14])[H:16])([H:13])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-5(3-6)4-7-2/h5H,4H2,1-2H3/t5-/m0/s1","InChI=1S/C5H9NO/c1-6-4-3-5-7-2/h1,3,5H2,2H3",107.06505,46.17045,
10026,[C:1]([O:2][C:3]([C@@:4]([C:5]([H:14])([H:15])[H:16])([C:6]#[N:7])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C-:1]([O+:2]=[C:3]([C@@:4]([C:5]([H:14])([H:15])[H:16])([C:6]#[N:7])[H:13])[H:11])([H:8])[H:10].[H:9][H:12],"InChI=1S/C5H9NO/c1-5(3-6)4-7-2/h5H,4H2,1-2H3/t5-/m0/s1","InChI=1S/C5H7NO.H2/c1-5(3-6)4-7-2;/h4-5H,2H2,1H3;1H/t5-;/m0./s1",69.30863000000001,73.66728,
10027,[C:1]([O:2][C:3]([C@@:4]([C:5]([H:14])([H:15])[H:16])([C:6]#[N:7])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]([N:7]=[C:6]=[C:4]([C:5]([H:14])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-5(3-6)4-7-2/h5H,4H2,1-2H3/t5-/m0/s1","InChI=1S/C5H9NO/c1-3-4-6-5-7-2/h3H,5H2,1-2H3",61.554759999999995,22.79446,
10028,[C:1]([O:2][C:3]([C@@:4]([C:5]([H:14])([H:15])[H:16])([C:6]#[N:7])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][H:13])([H:8])([H:9])[H:10].[C:3](=[C:4]([C:5]([H:14])([H:15])[H:16])[C:6]#[N:7])([H:11])[H:12],"InChI=1S/C5H9NO/c1-5(3-6)4-7-2/h5H,4H2,1-2H3/t5-/m0/s1","InChI=1S/C4H5N.CH4O/c1-4(2)3-5;1-2/h1H2,2H3;2H,1H3",52.96893000000001,10.078380000000001,"1,3_Insertion_ROR"
10029,[C:1]([O:2][C:3]([C@@:4]([C:5]([H:14])([H:15])[H:16])([C:6]#[N:7])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]([C+:4]=[C:6]=[N-:7])([H:11])[H:12])([H:8])([H:9])[H:10].[C:5]([H:13])([H:14])([H:15])[H:16],"InChI=1S/C5H9NO/c1-5(3-6)4-7-2/h5H,4H2,1-2H3/t5-/m0/s1","InChI=1S/C4H5NO.CH4/c1-6-4-2-3-5;/h4H2,1H3;1H4",77.90184,81.55611,
10030,[C:1]([O:2][C:3]([C@@:4]([C:5]([H:14])([H:15])[H:16])([C:6]#[N:7])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](=[O:2])([H:8])[H:10].[C:3]([C:4]([C:5]([H:14])([H:15])[H:16])([C:6]#[N:7])[H:13])([H:9])([H:11])[H:12],"InChI=1S/C5H9NO/c1-5(3-6)4-7-2/h5H,4H2,1-2H3/t5-/m0/s1","InChI=1S/C4H7N.CH2O/c1-4(2)3-5;1-2/h4H,1-2H3;1H2",81.44621,4.96587,
10031,[C:1]([O:2][C:3]([C@@:4]([C:5]([H:14])([H:15])[H:16])([C:6]#[N:7])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:15].[C:4](=[C:5]([H:14])[H:16])([C:6]#[N:7])[H:13].[O:2]=[C:3]([H:11])[H:12],"InChI=1S/C5H9NO/c1-5(3-6)4-7-2/h5H,4H2,1-2H3/t5-/m0/s1","InChI=1S/C3H3N.CH2O.CH4/c1-2-3-4;1-2;/h2H,1H2;1H2;1H4",77.94612,23.0706,
10032,[O:1]([C:2]([C:3]([C:4]1([H:13])[C:5]([H:14])([H:15])[O:6][C:7]1([H:16])[H:17])([H:11])[H:12])([H:9])[H:10])[H:8],[O:1]([C:2]([C:3]([C@@:4]([C:5][H:15])([C:7]([O:6][H:14])([H:16])[H:17])[H:13])([H:11])[H:12])([H:9])[H:10])[H:8],"InChI=1S/C5H10O2/c6-2-1-5-3-7-4-5/h5-6H,1-4H2","InChI=1S/C5H10O2/c1-5(4-7)2-3-6/h1,5-7H,2-4H2/t5-/m1/s1",72.63289,72.46518,
10033,[O:1]([C:2]([C:3]([C:4]1([H:13])[C:5]([H:14])([H:15])[O:6][C:7]1([H:16])[H:17])([H:11])[H:12])([H:9])[H:10])[H:8],[O:1]([C:2]([C:3]([C:4]([C:7]([O+:6]=[C-:5][H:14])([H:16])[H:17])([H:13])[H:15])([H:11])[H:12])([H:9])[H:10])[H:8],"InChI=1S/C5H10O2/c6-2-1-5-3-7-4-5/h5-6H,1-4H2","InChI=1S/C5H10O2/c1-7-5-3-2-4-6/h1,6H,2-5H2",76.12165,45.722409999999996,
10034,[O:1]([C:2]([C:3]([C:4]1([H:13])[C:5]([H:14])([H:15])[O:6][C:7]1([H:16])[H:17])([H:11])[H:12])([H:9])[H:10])[H:8],[C:3]([C:4]1([H:13])[C:5]([H:14])([H:15])[O:6][C:7]1([H:16])[H:17])([H:10])([H:11])[H:12].[O:1]([C:2][H:9])[H:8],"InChI=1S/C5H10O2/c6-2-1-5-3-7-4-5/h5-6H,1-4H2","InChI=1S/C4H8O.CH2O/c1-4-2-5-3-4;1-2/h4H,2-3H2,1H3;1-2H",72.4472,70.52995,
10035,[O:1]([C:2]([C:3]([C:4]1([H:13])[C:5]([H:14])([H:15])[O:6][C:7]1([H:16])[H:17])([H:11])[H:12])([H:9])[H:10])[H:8],[C:2]1([H:9])([H:10])[C:3]([H:11])([H:12])[C:4]12[C:5]([H:14])([H:15])[O:6][C:7]2([H:16])[H:17].[O:1]([H:8])[H:13],"InChI=1S/C5H10O2/c6-2-1-5-3-7-4-5/h5-6H,1-4H2",InChI=1S/C5H8O.H2O/c1-2-5(1)3-6-4-5;/h1-4H2;1H2,85.11506,17.26197,
10036,[O:1]([C:2]([C:3]([C:4]1([H:13])[C:5]([H:14])([H:15])[O:6][C:7]1([H:16])[H:17])([H:11])[H:12])([H:9])[H:10])[H:8],[O:1]([C:2]([C:3]([C:4](=[C:5]([H:14])[H:15])[C:7]([O:6][H:13])([H:16])[H:17])([H:11])[H:12])([H:9])[H:10])[H:8],"InChI=1S/C5H10O2/c6-2-1-5-3-7-4-5/h5-6H,1-4H2","InChI=1S/C5H10O2/c1-5(4-7)2-3-6/h6-7H,1-4H2",82.39296,-13.846960000000001,
10037,[O:1]([C:2]([C:3]([C:4]1([H:13])[C:5]([H:14])([H:15])[O:6][C:7]1([H:16])[H:17])([H:11])[H:12])([H:9])[H:10])[H:8],[H:11][H:16].[O:1]([C:2]([C@:3]1([H:12])[C@@:4]2([H:13])[C:5]([H:14])([H:15])[O:6][C@@:7]12[H:17])([H:9])[H:10])[H:8],"InChI=1S/C5H10O2/c6-2-1-5-3-7-4-5/h5-6H,1-4H2","InChI=1S/C5H8O2.H2/c6-1-3-4-2-7-5(3)4;/h3-6H,1-2H2;1H/t3-,4-,5+;/m1./s1",93.24806,42.0208,
10038,[O:1]([C:2]([C:3]([C:4]1([H:13])[C:5]([H:14])([H:15])[O:6][C:7]1([H:16])[H:17])([H:11])[H:12])([H:9])[H:10])[H:8],[O:1]([C+:2]([C:3]([C@@:4]([C:5]([O-:6])([H:14])[H:15])([C:7]([H:10])([H:16])[H:17])[H:13])([H:11])[H:12])[H:9])[H:8],"InChI=1S/C5H10O2/c6-2-1-5-3-7-4-5/h5-6H,1-4H2","InChI=1S/C5H10O2/c1-5(4-7)2-3-6/h3,5-6H,2,4H2,1H3/t5-/m0/s1",60.049609999999994,41.63024,
10039,[O:1]([C:2]([C:3]([C:4]1([H:13])[C:5]([H:14])([H:15])[O:6][C:7]1([H:16])[H:17])([H:11])[H:12])([H:9])[H:10])[H:8],[H:8][H:10].[O:1]=[C:2]([C:3]([C:4]1([H:13])[C:5]([H:14])([H:15])[O:6][C:7]1([H:16])[H:17])([H:11])[H:12])[H:9],"InChI=1S/C5H10O2/c6-2-1-5-3-7-4-5/h5-6H,1-4H2","InChI=1S/C5H8O2.H2/c6-2-1-5-3-7-4-5;/h2,5H,1,3-4H2;1H",78.62314,16.69473,
10040,[O:1]([C:2]([C:3]([C:4]1([H:13])[C:5]([H:14])([H:15])[O:6][C:7]1([H:16])[H:17])([H:11])[H:12])([H:9])[H:10])[H:8],[C:2](=[C:3]([C:4]1([H:13])[C:5]([H:14])([H:15])[O:6][C:7]1([H:16])[H:17])[H:12])([H:9])[H:10].[O:1]([H:8])[H:11],"InChI=1S/C5H10O2/c6-2-1-5-3-7-4-5/h5-6H,1-4H2","InChI=1S/C5H8O.H2O/c1-2-5-3-6-4-5;/h2,5H,1,3-4H2;1H2",61.55891999999999,11.236419999999999,"1,3_Insertion_ROR"
10041,[O:1]([C:2]([C:3]([C:4]1([H:13])[C:5]([H:14])([H:15])[O:6][C:7]1([H:16])[H:17])([H:11])[H:12])([H:9])[H:10])[H:8],[C:5](=[O:6])([H:14])[H:15].[O:1]([C:2]([C:3]([C:4](=[C:7]([H:16])[H:17])[H:13])([H:11])[H:12])([H:9])[H:10])[H:8],"InChI=1S/C5H10O2/c6-2-1-5-3-7-4-5/h5-6H,1-4H2","InChI=1S/C4H8O.CH2O/c1-2-3-4-5;1-2/h2,5H,1,3-4H2;1H2",55.329519999999995,6.16937,2+2_cycloaddition
10042,[O:1]([C:2]([C:3]([C:4]1([H:13])[C:5]([H:14])([H:15])[O:6][C:7]1([H:16])[H:17])([H:11])[H:12])([H:9])[H:10])[H:8],[H:14][H:15].[O:1]([C:2]([C:3]([C@@:4]1([H:13])[C-:5]=[O+:6][C:7]1([H:16])[H:17])([H:11])[H:12])([H:9])[H:10])[H:8],"InChI=1S/C5H10O2/c6-2-1-5-3-7-4-5/h5-6H,1-4H2","InChI=1S/C5H8O2.H2/c6-2-1-5-3-7-4-5;/h5-6H,1-3H2;1H/t5-;/m1./s1",74.47206,68.24580999999999,
10043,[O:1]([C:2]([C:3]([C:4]1([H:13])[C:5]([H:14])([H:15])[O:6][C:7]1([H:16])[H:17])([H:11])[H:12])([H:9])[H:10])[H:8],[C:3](=[C:4]1[C:5]([H:14])([H:15])[O:6][C:7]1([H:16])[H:17])([H:11])[H:12].[H:8][H:13].[O:1]=[C:2]([H:9])[H:10],"InChI=1S/C5H10O2/c6-2-1-5-3-7-4-5/h5-6H,1-4H2",InChI=1S/C4H6O.CH2O.H2/c1-4-2-5-3-4;1-2;/h1-3H2;1H2;1H,65.06794000000001,45.89305,
10044,[O:1]([C:2]([C:3]([C:4]1([H:13])[C:5]([H:14])([H:15])[O:6][C:7]1([H:16])[H:17])([H:11])[H:12])([H:9])[H:10])[H:8],[O:1]([C:2]([C:3]([C:4][C:7]([O:6][C:5]([H:13])([H:14])[H:15])([H:16])[H:17])([H:11])[H:12])([H:9])[H:10])[H:8],"InChI=1S/C5H10O2/c6-2-1-5-3-7-4-5/h5-6H,1-4H2","InChI=1S/C5H10O2/c1-7-5-3-2-4-6/h6H,2,4-5H2,1H3",77.60200999999999,71.21452,
10045,[O:1]([C:2]([C:3]([C:4]1([H:13])[C:5]([H:14])([H:15])[O:6][C:7]1([H:16])[H:17])([H:11])[H:12])([H:9])[H:10])[H:8],[C:3](=[C:4]([C:5]([O:6][C:7]([H:8])([H:16])[H:17])([H:14])[H:15])[H:13])([H:11])[H:12].[O:1]=[C:2]([H:9])[H:10],"InChI=1S/C5H10O2/c6-2-1-5-3-7-4-5/h5-6H,1-4H2","InChI=1S/C4H8O.CH2O/c1-3-4-5-2;1-2/h3H,1,4H2,2H3;1H2",55.55481999999999,15.0357,
10046,[O:1]([C:2]([C:3]([C:4]1([H:13])[C:5]([H:14])([H:15])[O:6][C:7]1([H:16])[H:17])([H:11])[H:12])([H:9])[H:10])[H:8],[C:4]1([H:13])=[C:5]([H:15])[O:6][C:7]1([H:16])[H:17].[H:10][H:14].[O:1]([C:2](=[C:3]([H:11])[H:12])[H:9])[H:8],"InChI=1S/C5H10O2/c6-2-1-5-3-7-4-5/h5-6H,1-4H2","InChI=1S/C3H4O.C2H4O.H2/c1-2-4-3-1;1-2-3;/h1-2H,3H2;2-3H,1H2;1H",79.34333000000001,49.50092,
10047,[O:1]([C:2]([C:3]([C:4]1([H:13])[C:5]([H:14])([H:15])[O:6][C:7]1([H:16])[H:17])([H:11])[H:12])([H:9])[H:10])[H:8],[O:1]1[C:2]([H:9])([H:10])[C:3]([H:11])([H:12])[C@@:4]([C:7]([O:6][H:8])([H:16])[H:17])([H:13])[C:5]1([H:14])[H:15],"InChI=1S/C5H10O2/c6-2-1-5-3-7-4-5/h5-6H,1-4H2","InChI=1S/C5H10O2/c6-3-5-1-2-7-4-5/h5-6H,1-4H2/t5-/m1/s1",43.09118,-21.2138,
10048,[O:1]([C:2]([C:3]([C:4]1([H:13])[C:5]([H:14])([H:15])[O:6][C:7]1([H:16])[H:17])([H:11])[H:12])([H:9])[H:10])[H:8],[H:13][H:16].[O:1]([C:2]([C:3]([C:4]1=[C:7]([H:17])[O:6][C:5]1([H:14])[H:15])([H:11])[H:12])([H:9])[H:10])[H:8],"InChI=1S/C5H10O2/c6-2-1-5-3-7-4-5/h5-6H,1-4H2","InChI=1S/C5H8O2.H2/c6-2-1-5-3-7-4-5;/h3,6H,1-2,4H2;1H",105.83601999999999,30.9439,
10049,[O:1]([C:2]([C:3]([C:4]1([H:13])[C:5]([H:14])([H:15])[O:6][C:7]1([H:16])[H:17])([H:11])[H:12])([H:9])[H:10])[H:8],[C:4]1([H:10])([H:13])[C:5]([H:14])([H:15])[O:6][C:7]1([H:16])[H:17].[O:1]([C:2](=[C:3]([H:11])[H:12])[H:9])[H:8],"InChI=1S/C5H10O2/c6-2-1-5-3-7-4-5/h5-6H,1-4H2","InChI=1S/C3H6O.C2H4O/c1-2-4-3-1;1-2-3/h1-3H2;2-3H,1H2",92.68619,17.57038,
10050,[O:1]([C:2]([C:3]([C:4]1([H:13])[C:5]([H:14])([H:15])[O:6][C:7]1([H:16])[H:17])([H:11])[H:12])([H:9])[H:10])[H:8],[C:2]([H:9])[H:10].[O:1]([C:3]([C:4]1([H:13])[C:5]([H:14])([H:15])[O:6][C:7]1([H:16])[H:17])([H:11])[H:12])[H:8],"InChI=1S/C5H10O2/c6-2-1-5-3-7-4-5/h5-6H,1-4H2","InChI=1S/C4H8O2.CH2/c5-1-4-2-6-3-4;/h4-5H,1-3H2;1H2",114.89453999999999,117.44491000000001,
10051,[C:1]([C@@:2]1([C:3]([C:4]#[C:5][H:13])([H:11])[H:12])[C:6]([H:14])([H:15])[N:7]1[H:16])([H:8])([H:9])[H:10],[C:1]([C+:2]([C:3]([C:4]#[C:5][H:13])([H:11])[H:12])[N:7]([C-:6]([H:14])[H:15])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-3-4-6(2)5-7-6/h1,7H,4-5H2,2H3/t6-/m1/s1","InChI=1S/C6H9N/c1-4-5-6(2)7-3/h1,7H,3,5H2,2H3",40.69191,21.85107,
10052,[C:1]([C@@:2]1([C:3]([C:4]#[C:5][H:13])([H:11])[H:12])[C:6]([H:14])([H:15])[N:7]1[H:16])([H:8])([H:9])[H:10],[C:1](=[C:2]1[C:6]([H:14])([H:15])[N:7]1[H:16])([H:8])[H:9].[C:3](=[C:4]=[C:5]([H:10])[H:13])([H:11])[H:12],"InChI=1S/C6H9N/c1-3-4-6(2)5-7-6/h1,7H,4-5H2,2H3/t6-/m1/s1","InChI=1S/C3H5N.C3H4/c1-3-2-4-3;1-3-2/h4H,1-2H2;1-2H2",52.1361,24.463820000000002,Retroene
10053,[C:1]([C@@:2]1([C:3]([C:4]#[C:5][H:13])([H:11])[H:12])[C:6]([H:14])([H:15])[N:7]1[H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([C:3]([C:4](=[C-:5][H:13])[H:15])([H:11])[H:12])[C+:6]([H:14])[N:7]1[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-3-4-6(2)5-7-6/h1,7H,4-5H2,2H3/t6-/m1/s1","InChI=1S/C6H9N/c1-3-4-6(2)5-7-6/h1,3,5,7H,4H2,2H3/t6-/m1/s1",99.88681,70.84136,
10054,[C:1]([C@@:2]1([C:3]([C:4]#[C:5][H:13])([H:11])[H:12])[C:6]([H:14])([H:15])[N:7]1[H:16])([H:8])([H:9])[H:10],[C:1]([C+:2]1[C:4](=[C-:5][H:13])[C:3]([H:11])([H:12])[N:7]([H:16])[C:6]1([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-3-4-6(2)5-7-6/h1,7H,4-5H2,2H3/t6-/m1/s1","InChI=1S/C6H9N/c1-5-3-7-4-6(5)2/h1,7H,3-4H2,2H3",92.22665,32.796690000000005,
10055,[C:1]([C@@:2]1([C:3]([C:4]#[C:5][H:13])([H:11])[H:12])[C:6]([H:14])([H:15])[N:7]1[H:16])([H:8])([H:9])[H:10],[C:1]([C@:2]([C:3]([C:4]#[C:5][H:13])([H:11])[H:12])([N:7]([C:6][H:14])[H:16])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-3-4-6(2)5-7-6/h1,7H,4-5H2,2H3/t6-/m1/s1","InChI=1S/C6H9N/c1-4-5-6(2)7-3/h1,3,6-7H,5H2,2H3/t6-/m1/s1",69.44049,33.44253,
10056,[C:1]([C@@:2]1([C:3]([C:4]#[C:5][H:13])([H:11])[H:12])[C:6]([H:14])([H:15])[N:7]1[H:16])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:6]([H:15])[N:7]1[H:16])([H:8])([H:9])[H:10].[C:3](=[C:4]=[C:5]([H:13])[H:14])([H:11])[H:12],"InChI=1S/C6H9N/c1-3-4-6(2)5-7-6/h1,7H,4-5H2,2H3/t6-/m1/s1","InChI=1S/C3H5N.C3H4/c1-3-2-4-3;1-3-2/h2,4H,1H3;1-2H2",65.16790999999999,52.932990000000004,Retroene
10057,[C:1]([C@@:2]1([C:3]([C:4]#[C:5][H:13])([H:11])[H:12])[C:6]([H:14])([H:15])[N:7]1[H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([C:3]([C:5](=[C:4])[H:13])([H:11])[H:12])[C:6]([H:14])([H:15])[N:7]1[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-3-4-6(2)5-7-6/h1,7H,4-5H2,2H3/t6-/m1/s1","InChI=1S/C6H9N/c1-3-4-6(2)5-7-6/h3,7H,4-5H2,2H3/t6-/m1/s1",57.54543,51.78293,Singlet_Carbene_Intra_Disproportionation
10058,[C:1]([C@@:2]1([C:3]([C:4]#[C:5][H:13])([H:11])[H:12])[C:6]([H:14])([H:15])[N:7]1[H:16])([H:8])([H:9])[H:10],[C:1](/[C:2]([C:3]([C:4]1=[C:5]([H:13])[C:6]1([H:14])[H:15])([H:11])[H:12])=[N:7]\[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-3-4-6(2)5-7-6/h1,7H,4-5H2,2H3/t6-/m1/s1","InChI=1S/C6H9N/c1-5(7)4-6-2-3-6/h2,7H,3-4H2,1H3/b7-5+",58.238969999999995,-5.41028,
10059,[C:1]([C@@:2]1([C:3]([C:4]#[C:5][H:13])([H:11])[H:12])[C:6]([H:14])([H:15])[N:7]1[H:16])([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:3](/[C:4]#[C:5][H:13])[H:11])[C:6]([N:7]([H:12])[H:16])([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-3-4-6(2)5-7-6/h1,7H,4-5H2,2H3/t6-/m1/s1","InChI=1S/C6H9N/c1-3-4-6(2)5-7/h1,4H,5,7H2,2H3/b6-4-",51.63108,-15.19515,
10060,[C:1]([C@@:2]1([C:3]([C:4]#[C:5][H:13])([H:11])[H:12])[C:6]([H:14])([H:15])[N:7]1[H:16])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]([H:11])[H:12])[C:4]#[C:5][H:13])([H:8])([H:9])[H:10].[C:6](=[N:7][H:16])([H:14])[H:15],"InChI=1S/C6H9N/c1-3-4-6(2)5-7-6/h1,7H,4-5H2,2H3/t6-/m1/s1","InChI=1S/C5H6.CH3N/c1-4-5(2)3;1-2/h1H,2H2,3H3;2H,1H2",72.97945,5.63699,
10061,[C:1]([C@@:2]1([C:3]([C:4]#[C:5][H:13])([H:11])[H:12])[C:6]([H:14])([H:15])[N:7]1[H:16])([H:8])([H:9])[H:10],[C:1](/[C:2]([C:3]([C:4]#[C:5][H:13])([H:11])[H:12])=[N:7]/[C:6]([H:14])([H:15])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-3-4-6(2)5-7-6/h1,7H,4-5H2,2H3/t6-/m1/s1","InChI=1S/C6H9N/c1-4-5-6(2)7-3/h1H,5H2,2-3H3/b7-6-",60.95024,-12.20195,
10062,[C:1]([C@@:2]1([C:3]([C:4]#[C:5][H:13])([H:11])[H:12])[C:6]([H:14])([H:15])[N:7]1[H:16])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]([H:11])[H:12])[C:6]([N:7]([C:4]#[C:5][H:13])[H:16])([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-3-4-6(2)5-7-6/h1,7H,4-5H2,2H3/t6-/m1/s1","InChI=1S/C6H9N/c1-4-7-5-6(2)3/h1,7H,2,5H2,3H3",58.048719999999996,-4.12606,
10063,[C:1]([C@@:2]1([C:3]([C:4]#[C:5][H:13])([H:11])[H:12])[C:6]([H:14])([H:15])[N:7]1[H:16])([H:8])([H:9])[H:10],[C:1]([C+:2]1[C:3]([H:11])([H:12])[C:4](=[C-:5][H:13])[C:6]([H:14])([H:15])[N:7]1[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-3-4-6(2)5-7-6/h1,7H,4-5H2,2H3/t6-/m1/s1","InChI=1S/C6H9N/c1-5-3-6(2)7-4-5/h1,7H,3-4H2,2H3",80.19951,25.98686,
10064,[C:1]([C@@:2]1([C:3]([C:4]#[C:5][H:13])([H:11])[H:12])[C:6]([H:14])([H:15])[N:7]1[H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]1(/[C:3](=[C:4](\[C:5][H:13])[H:12])[H:11])[C:6]([H:14])([H:15])[N:7]1[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-3-4-6(2)5-7-6/h1,7H,4-5H2,2H3/t6-/m1/s1","InChI=1S/C6H9N/c1-3-4-6(2)5-7-6/h1,3-4,7H,5H2,2H3/b4-3-/t6-/m1/s1",64.48665,57.99035,
10065,[C:1]([C@@:2]1([C:3]([C:4]#[C:5][H:13])([H:11])[H:12])[C:6]([H:14])([H:15])[N:7]1[H:16])([H:8])([H:9])[H:10],[C:1]([N:7]([C:6]([C:2][C:3]([C:4]#[C:5][H:13])([H:11])[H:12])([H:14])[H:15])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-3-4-6(2)5-7-6/h1,7H,4-5H2,2H3/t6-/m1/s1","InChI=1S/C6H9N/c1-3-4-5-6-7-2/h1,7H,4,6H2,2H3",105.13448999999999,75.80946999999999,
10066,[C:1]([C@@:2]1([C:3]([C:4]#[C:5][H:13])([H:11])[H:12])[C:6]([H:14])([H:15])[N:7]1[H:16])([H:8])([H:9])[H:10],[C:1]([C+:2]1[C:3]([H:11])([H:12])[C-:4]=[C:5]([H:13])[C:6]([H:14])([H:15])[N:7]1[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-3-4-6(2)5-7-6/h1,7H,4-5H2,2H3/t6-/m1/s1","InChI=1S/C6H9N/c1-6-4-2-3-5-7-6/h3,7H,4-5H2,1H3",75.90907,14.83424,
10067,[C:1]([C@@:2]1([C:3]([C:4]#[C:5][H:13])([H:11])[H:12])[C:6]([H:14])([H:15])[N:7]1[H:16])([H:8])([H:9])[H:10],[C:1](/[C:2]([C:6]([C:5](=[C:4]=[C:3]([H:11])[H:12])[H:13])([H:14])[H:15])=[N:7]\[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-3-4-6(2)5-7-6/h1,7H,4-5H2,2H3/t6-/m1/s1","InChI=1S/C6H9N/c1-3-4-5-6(2)7/h4,7H,1,5H2,2H3/b7-6+",49.58594,-24.98234,
10068,[C:1]([C@@:2]1([C:3]([C:4]#[C:5][H:13])([H:11])[H:12])[C:6]([H:14])([H:15])[N:7]1[H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([C:3]([C-:4]=[C:5]([H:13])[H:15])([H:11])[H:12])[C+:6]([H:14])[N:7]1[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-3-4-6(2)5-7-6/h1,7H,4-5H2,2H3/t6-/m1/s1","InChI=1S/C6H9N/c1-3-4-6(2)5-7-6/h5,7H,1,4H2,2H3/t6-/m1/s1",78.12379,83.78265,
10069,[C:1]([C@@:2]1([C:3]([C:4]#[C:5][H:13])([H:11])[H:12])[C:6]([H:14])([H:15])[N:7]1[H:16])([H:8])([H:9])[H:10],[C:1]1([H:9])([H:10])[C@@:2]2([C:3]([H:11])([H:12])[C:4][C:5]1([H:8])[H:13])[C:6]([H:14])([H:15])[N:7]2[H:16],"InChI=1S/C6H9N/c1-3-4-6(2)5-7-6/h1,7H,4-5H2,2H3/t6-/m1/s1","InChI=1S/C6H9N/c1-2-4-6(3-1)5-7-6/h7H,1,3-5H2/t6-/m1/s1",68.60978,45.993120000000005,
10070,[C:1]([C@@:2]1([C:3]([C:4]#[C:5][H:13])([H:11])[H:12])[C:6]([H:14])([H:15])[N:7]1[H:16])([H:8])([H:9])[H:10],[C:1]([C-:2]1[C:6]([H:14])([H:15])[N+:7]1([C:3]([C:4]#[C:5][H:13])([H:11])[H:12])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-3-4-6(2)5-7-6/h1,7H,4-5H2,2H3/t6-/m1/s1","InChI=1S/C6H9N/c1-3-4-7-5-6(7)2/h1,7H,4-5H2,2H3",94.93826,64.39081,
10071,[C:1]([C@@:2]1([C:3]([C:4]#[C:5][H:13])([H:11])[H:12])[C:6]([H:14])([H:15])[N:7]1[H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C:4](=[C:5]([H:13])[H:14])[C@:6]1([H:15])[N:7]2[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-3-4-6(2)5-7-6/h1,7H,4-5H2,2H3/t6-/m1/s1","InChI=1S/C6H9N/c1-4-3-6(2)5(4)7-6/h5,7H,1,3H2,2H3/t5-,6+/m0/s1",83.42468000000001,-5.56953,
10072,[C:1]([C@@:2]([O:3][H:12])([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])[H:11])([H:8])([H:9])[H:10],[C:1](/[C:4](=[C:2](/[O:3][H:12])[H:11])[H:13])([H:8])([H:9])[H:10].[C:5](=[C:6]([C:7]([H:17])([H:18])[H:19])[H:16])([H:14])[H:15],"InChI=1S/C6H12O/c1-4-3-6(4)5(2)7/h4-7H,3H2,1-2H3/t4-,5-,6+/m1/s1","InChI=1S/C3H6O.C3H6/c1-2-3-4;1-3-2/h2-4H,1H3;3H,1H2,2H3/b3-2+;",89.22368,10.6614,
10073,[C:1]([C@@:2]([O:3][H:12])([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2](=[O:3])[H:11])([H:8])([H:9])[H:10].[C:4]1([H:13])=[C:5]([H:15])[C:6]1([C:7]([H:17])([H:18])[H:19])[H:16].[H:12][H:14],"InChI=1S/C6H12O/c1-4-3-6(4)5(2)7/h4-7H,3H2,1-2H3/t4-,5-,6+/m1/s1","InChI=1S/C4H6.C2H4O.H2/c1-4-2-3-4;1-2-3;/h2-4H,1H3;2H,1H3;1H",78.12164,65.95684,
10074,[C:1]([C@@:2]([O:3][H:12])([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])[H:11])([H:8])([H:9])[H:10],[C:1](=[C:2]([O:3][H:12])[H:11])([H:9])[H:10].[C:4](\[C:5]([H:8])([H:14])[H:15])(=[C:6](\[C:7]([H:17])([H:18])[H:19])[H:16])[H:13],"InChI=1S/C6H12O/c1-4-3-6(4)5(2)7/h4-7H,3H2,1-2H3/t4-,5-,6+/m1/s1","InChI=1S/C4H8.C2H4O/c1-3-4-2;1-2-3/h3-4H,1-2H3;2-3H,1H2/b4-3-;",69.40669,12.7161,
10075,[C:1]([C@@:2]([O:3][H:12])([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2](=[O:3])[H:11])([H:8])([H:9])[H:10].[C:4]1([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]1([C:7]([H:17])([H:18])[H:19])[H:16],"InChI=1S/C6H12O/c1-4-3-6(4)5(2)7/h4-7H,3H2,1-2H3/t4-,5-,6+/m1/s1","InChI=1S/C4H8.C2H4O/c1-4-2-3-4;1-2-3/h4H,2-3H2,1H3;2H,1H3",71.07335,11.847430000000001,
10076,[C:1]([C@@:2]([O:3][H:12])([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]([O:3][H:12])([C:4]([C:5]([C:6][C:7]([H:17])([H:18])[H:19])([H:14])[H:15])([H:13])[H:16])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-4-3-6(4)5(2)7/h4-7H,3H2,1-2H3/t4-,5-,6+/m1/s1","InChI=1S/C6H12O/c1-3-4-5-6(2)7/h6-7H,4-5H2,1-2H3/t6-/m1/s1",67.12386,69.74939,
10077,[C:1]([C@@:2]([O:3][H:12])([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:4]([O:3][H:12])([H:13])[C@@:6]([C:7]([H:17])([H:18])[H:19])([H:16])[C:5]1([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-4-3-6(4)5(2)7/h4-7H,3H2,1-2H3/t4-,5-,6+/m1/s1","InChI=1S/C6H12O/c1-4-3-5(2)6(4)7/h4-7H,3H2,1-2H3/t4-,5-/m1/s1",72.75820999999999,-3.4987699999999995,
10078,[C:1]([C@@:2]([O:3][H:12])([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2](=[O:3])[C@@:4]1([H:13])[C:5]([H:14])([H:15])[C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])([H:8])([H:9])[H:10].[H:11][H:12],"InChI=1S/C6H12O/c1-4-3-6(4)5(2)7/h4-7H,3H2,1-2H3/t4-,5-,6+/m1/s1","InChI=1S/C6H10O.H2/c1-4-3-6(4)5(2)7;/h4,6H,3H2,1-2H3;1H/t4-,6+;/m1./s1",79.29224,10.53497,
10079,[C:1]([C@@:2]([O:3][H:12])([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])[H:11])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:13].[C:2](\[O:3][H:12])(=[C:4]1/[C:5]([H:14])([H:15])[C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])[H:11],"InChI=1S/C6H12O/c1-4-3-6(4)5(2)7/h4-7H,3H2,1-2H3/t4-,5-,6+/m1/s1","InChI=1S/C5H8O.CH4/c1-4-2-5(4)3-6;/h3-4,6H,2H2,1H3;1H4/b5-3-;/t4-;/m1./s1",105.32811000000001,19.93979,
10080,[C:1]([C@@:2]([O:3][H:12])([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]([O:3][H:12])([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C:6]1)[H:11])([H:8])([H:9])[H:10].[C:7]([H:16])([H:17])([H:18])[H:19],"InChI=1S/C6H12O/c1-4-3-6(4)5(2)7/h4-7H,3H2,1-2H3/t4-,5-,6+/m1/s1","InChI=1S/C5H8O.CH4/c1-4(6)5-2-3-5;/h4-6H,2H2,1H3;1H4/t4-,5+;/m1./s1",87.35892,91.35386,
10081,[C:1]([C@@:2]([O:3][H:12])([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])[H:11])([H:8])([H:9])[H:10],[C:1](=[C:2]([O:3][H:12])[H:11])([H:9])[H:10].[C:4]1([H:13])=[C:6]([H:16])[C:5]1([H:14])[H:15].[C:7]([H:8])([H:17])([H:18])[H:19],"InChI=1S/C6H12O/c1-4-3-6(4)5(2)7/h4-7H,3H2,1-2H3/t4-,5-,6+/m1/s1","InChI=1S/C3H4.C2H4O.CH4/c1-2-3-1;1-2-3;/h1-2H,3H2;2-3H,1H2;1H4",102.88792,63.7466,
10082,[C:1]([C@@:2]([O:3][H:12])([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])[H:11])([H:8])([H:9])[H:10],[C:1](/[C:2]([O:3][H:12])=[C:4](\[C:5]([C:6]([C:7]([H:11])([H:17])[H:19])([H:16])[H:18])([H:14])[H:15])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-4-3-6(4)5(2)7/h4-7H,3H2,1-2H3/t4-,5-,6+/m1/s1","InChI=1S/C6H12O/c1-3-4-5-6(2)7/h5,7H,3-4H2,1-2H3/b6-5+",79.44203,-13.11483,
10083,[C:1]([C@@:2]([O:3][H:12])([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]([O:3][H:12])([C:4][C:6]([C:5]([H:13])([H:14])[H:15])([C:7]([H:17])([H:18])[H:19])[H:16])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-4-3-6(4)5(2)7/h4-7H,3H2,1-2H3/t4-,5-,6+/m1/s1","InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5-7H,1-3H3/t6-/m1/s1",66.77041,67.75359,
10084,[C:1]([C@@:2]([O:3][H:12])([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]([O:3][H:12])([C@@:4]([C:5]([H:14])([H:15])[H:16])([C:6][C:7]([H:17])([H:18])[H:19])[H:13])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-4-3-6(4)5(2)7/h4-7H,3H2,1-2H3/t4-,5-,6+/m1/s1","InChI=1S/C6H12O/c1-4-5(2)6(3)7/h5-7H,1-3H3/t5-,6+/m0/s1",68.21966,71.13798,
10085,[C:1]([C@@:2]([O:3][H:12])([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])[H:11])([H:8])([H:9])[H:10],[C:1]([C+:2]([O:3][H:12])[C@@:4]1([H:13])[C:5]([H:14])([H:15])[C-:6]1[C:7]([H:17])([H:18])[H:19])([H:8])([H:9])[H:10].[H:11][H:16],"InChI=1S/C6H12O/c1-4-3-6(4)5(2)7/h4-7H,3H2,1-2H3/t4-,5-,6+/m1/s1","InChI=1S/C6H10O.H2/c1-4-3-6(4)5(2)7;/h6-7H,3H2,1-2H3;1H/t6-;/m0./s1",106.85725,78.16343,
10086,[C:1]([C@@:2]([O:3][H:12])([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])[H:11])([H:8])([H:9])[H:10],[C:1]([C:5]([C@:4]1([H:13])[C@:2]([O:3][H:12])([H:11])[C@@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-4-3-6(4)5(2)7/h4-7H,3H2,1-2H3/t4-,5-,6+/m1/s1","InChI=1S/C6H12O/c1-3-5-4(2)6(5)7/h4-7H,3H2,1-2H3/t4-,5+,6+/m1/s1",102.03478,2.5178,
10087,[C:1]([C@@:2]([O:3][H:12])([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]([O:3][H:12])([C@@:4]([C:5]([C:6][H:16])([H:14])[H:15])([C:7]([H:17])([H:18])[H:19])[H:13])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-4-3-6(4)5(2)7/h4-7H,3H2,1-2H3/t4-,5-,6+/m1/s1","InChI=1S/C6H12O/c1-4-5(2)6(3)7/h1,5-7H,4H2,2-3H3/t5-,6-/m1/s1",96.65045,81.6548,
10088,[C:1]([C@@:2]([O:3][H:12])([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])[H:11])([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:4]1\[C:5]([H:14])([H:15])[C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])[H:11])([H:8])([H:9])[H:10].[O:3]([H:12])[H:13],"InChI=1S/C6H12O/c1-4-3-6(4)5(2)7/h4-7H,3H2,1-2H3/t4-,5-,6+/m1/s1","InChI=1S/C6H10.H2O/c1-3-6-4-5(6)2;/h3,5H,4H2,1-2H3;1H2/b6-3+;/t5-;/m1./s1",64.33159,18.63478,"1,3_Insertion_ROR"
10089,[C:1]([C@@:2]([O:3][H:12])([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]([O:3][H:12])([C:4]1([H:13])[C:5]([H:15])=[C:6]1[H:16])[H:11])([H:8])([H:9])[H:10].[C:7]([H:14])([H:17])([H:18])[H:19],"InChI=1S/C6H12O/c1-4-3-6(4)5(2)7/h4-7H,3H2,1-2H3/t4-,5-,6+/m1/s1","InChI=1S/C5H8O.CH4/c1-4(6)5-2-3-5;/h2-6H,1H3;1H4/t4-;/m1./s1",115.10932,41.94594,
10090,[C:1]([C@@:2]([O:3][H:12])([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([O:3][H:12])=[C:4]([H:11])[H:13])([H:8])([H:9])[H:10].[C:5](=[C:6]([C:7]([H:17])([H:18])[H:19])[H:16])([H:14])[H:15],"InChI=1S/C6H12O/c1-4-3-6(4)5(2)7/h4-7H,3H2,1-2H3/t4-,5-,6+/m1/s1","InChI=1S/C3H6O.C3H6/c1-3(2)4;1-3-2/h4H,1H2,2H3;3H,1H2,2H3",83.17052,7.02901,
10091,[C:1]([C@@:2]([O:3][H:12])([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]([O:3][C:7]([H:17])([H:18])[H:19])([C:4]1([H:13])[C:5]([H:14])([H:15])[C:6]1([H:12])[H:16])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-4-3-6(4)5(2)7/h4-7H,3H2,1-2H3/t4-,5-,6+/m1/s1","InChI=1S/C6H12O/c1-5(7-2)6-3-4-6/h5-6H,3-4H2,1-2H3/t5-/m1/s1",104.92093999999999,13.73695,
10092,[C:1]([C@@:2]([O:3][H:12])([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([O:3][H:12])[C@:4]([C:5]([H:11])([H:14])[H:15])([H:13])[C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-4-3-6(4)5(2)7/h4-7H,3H2,1-2H3/t4-,5-,6+/m1/s1","InChI=1S/C6H12O/c1-4-5(2)6(4,3)7/h4-5,7H,1-3H3/t4-,5+,6+",100.93441999999999,-0.66819,
10093,[C:1]([C@@:2]([O:3][H:12])([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])[H:11])([H:8])([H:9])[H:10],[C:1](/[C:2]([O:3][H:12])=[C:4]1/[C:5]([H:14])([H:15])[C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])([H:8])([H:9])[H:10].[H:11][H:13],"InChI=1S/C6H12O/c1-4-3-6(4)5(2)7/h4-7H,3H2,1-2H3/t4-,5-,6+/m1/s1","InChI=1S/C6H10O.H2/c1-4-3-6(4)5(2)7;/h4,7H,3H2,1-2H3;1H/b6-5+;/t4-;/m1./s1",99.59325,27.771340000000002,
10094,[C:1]([C@@:2]([O:3][H:12])([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])[H:11])([H:8])([H:9])[H:10],[C:1]([C+:2]([O:3][H:12])[C@@:4]1([H:13])[C:5]([H:14])([H:15])[C-:6]1[H:16])([H:8])([H:9])[H:10].[C:7]([H:11])([H:17])([H:18])[H:19],"InChI=1S/C6H12O/c1-4-3-6(4)5(2)7/h4-7H,3H2,1-2H3/t4-,5-,6+/m1/s1","InChI=1S/C5H8O.CH4/c1-4(6)5-2-3-5;/h2,5-6H,3H2,1H3;1H4/t5-;/m1./s1",93.60126,7.08277,
10095,[C:1]([C@@:2]1([C:3]([C:4]([O:5][H:15])([H:13])[H:14])([H:11])[H:12])[C:6]([H:16])([H:17])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C@@:2]1([C:3]([O:5][H:15])([H:11])[H:12])[C:6]([H:16])([H:17])[O:7]1)([H:8])([H:9])[H:10].[C:4]([H:13])[H:14],"InChI=1S/C5H10O2/c1-5(2-3-6)4-7-5/h6H,2-4H2,1H3/t5-/m1/s1","InChI=1S/C4H8O2.CH2/c1-4(2-5)3-6-4;/h5H,2-3H2,1H3;1H2/t4-;/m1./s1",112.9038,119.15574,
10096,[C:1]([C@@:2]1([C:3]([C:4]([O:5][H:15])([H:13])[H:14])([H:11])[H:12])[C:6]([H:16])([H:17])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C@@:2]1([O:7][H:15])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[O:5][C:6]1([H:16])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-5(2-3-6)4-7-5/h6H,2-4H2,1H3/t5-/m1/s1","InChI=1S/C5H10O2/c1-5(6)2-3-7-4-5/h6H,2-4H2,1H3/t5-/m1/s1",44.634209999999996,-16.07041,
10097,[C:1]([C@@:2]1([C:3]([C:4]([O:5][H:15])([H:13])[H:14])([H:11])[H:12])[C:6]([H:16])([H:17])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([C:4]([O:5][H:15])([H:13])[H:14])([H:11])[H:12])=[O+:7][C-:6]([H:16])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-5(2-3-6)4-7-5/h6H,2-4H2,1H3/t5-/m1/s1","InChI=1S/C5H10O2/c1-5(7-2)3-4-6/h6H,2-4H2,1H3",55.01161,40.03986,
10098,[C:1]([C@@:2]1([C:3]([C:4]([O:5][H:15])([H:13])[H:14])([H:11])[H:12])[C:6]([H:16])([H:17])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C@@:2]1([C:3]([C:4](=[O:5])[H:14])([H:11])[H:12])[C:6]([H:16])([H:17])[O:7]1)([H:8])([H:9])[H:10].[H:13][H:15],"InChI=1S/C5H10O2/c1-5(2-3-6)4-7-5/h6H,2-4H2,1H3/t5-/m1/s1","InChI=1S/C5H8O2.H2/c1-5(2-3-6)4-7-5;/h3H,2,4H2,1H3;1H/t5-;/m1./s1",85.43005,21.160989999999998,
10099,[C:1]([C@@:2]1([C:3]([C:4]([O:5][H:15])([H:13])[H:14])([H:11])[H:12])[C:6]([H:16])([H:17])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C@@:2]([C:3]([C:4]([O:5][H:15])([H:13])[H:14])([H:11])[H:12])([C:6][H:17])[O:7][H:16])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-5(2-3-6)4-7-5/h6H,2-4H2,1H3/t5-/m1/s1","InChI=1S/C5H10O2/c1-5(2,7)3-4-6/h1,6-7H,3-4H2,2H3/t5-/m1/s1",70.19149,69.12149000000001,
10100,[C:1]([C@@:2]1([C:3]([C:4]([O:5][H:15])([H:13])[H:14])([H:11])[H:12])[C:6]([H:16])([H:17])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C:2](=[C+:6][H:16])[O-:7])([H:8])([H:9])[H:10].[C:3]([C:4]([O:5][H:15])([H:13])[H:14])([H:11])([H:12])[H:17],"InChI=1S/C5H10O2/c1-5(2-3-6)4-7-5/h6H,2-4H2,1H3/t5-/m1/s1","InChI=1S/C3H4O.C2H6O/c1-3(2)4;1-2-3/h1H,2H3;3H,2H2,1H3",109.02301000000001,65.48808000000001,
10101,[C:1]([C@@:2]1([C:3]([C:4]([O:5][H:15])([H:13])[H:14])([H:11])[H:12])[C:6]([H:16])([H:17])[O:7]1)([H:8])([H:9])[H:10],[C:1]1([H:8])([H:10])[C:2]2([C:3]([H:11])([H:12])[C:4]1([H:13])[H:14])[C:6]([H:16])([H:17])[O:7]2.[O:5]([H:9])[H:15],"InChI=1S/C5H10O2/c1-5(2-3-6)4-7-5/h6H,2-4H2,1H3/t5-/m1/s1",InChI=1S/C5H8O.H2O/c1-2-5(3-1)4-6-5;/h1-4H2;1H2,89.18321,19.93505,
10102,[C:1]([C@@:2]1([C:3]([C:4]([O:5][H:15])([H:13])[H:14])([H:11])[H:12])[C:6]([H:16])([H:17])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]([H:11])[H:12])[C:6]([O:7][H:15])([H:16])[H:17])([H:8])([H:9])[H:10].[C:4](=[O:5])([H:13])[H:14],"InChI=1S/C5H10O2/c1-5(2-3-6)4-7-5/h6H,2-4H2,1H3/t5-/m1/s1","InChI=1S/C4H8O.CH2O/c1-4(2)3-5;1-2/h5H,1,3H2,2H3;1H2",24.27092,9.33122,
10103,[C:1]([C@@:2]1([C:3]([C:4]([O:5][H:15])([H:13])[H:14])([H:11])[H:12])[C:6]([H:16])([H:17])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]([H:11])[H:12])[H:15])([H:8])([H:9])[H:10].[C:4](=[O:5])([H:13])[H:14].[C:6](=[O:7])([H:16])[H:17],"InChI=1S/C5H10O2/c1-5(2-3-6)4-7-5/h6H,2-4H2,1H3/t5-/m1/s1","InChI=1S/C3H6.2CH2O/c1-3-2;2*1-2/h3H,1H2,2H3;2*1H2",79.90655,28.13092,
10104,[C:1]([C@@:2]1([C:3]([C:4]([O:5][H:15])([H:13])[H:14])([H:11])[H:12])[C:6]([H:16])([H:17])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C:2](=[C:6]([H:16])[H:17])[O:7][H:14])([H:8])([H:9])[H:10].[C:3](=[C:4]([O:5][H:15])[H:13])([H:11])[H:12],"InChI=1S/C5H10O2/c1-5(2-3-6)4-7-5/h6H,2-4H2,1H3/t5-/m1/s1","InChI=1S/C3H6O.C2H4O/c1-3(2)4;1-2-3/h4H,1H2,2H3;2-3H,1H2",62.07903,1.48214,
10105,[C:1]([C@@:2]1([C:3]([C:4]([O:5][H:15])([H:13])[H:14])([H:11])[H:12])[C:6]([H:16])([H:17])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C@:6]1([H:16])[O:7]2)([H:8])([H:9])[H:10].[O:5]([H:15])[H:17],"InChI=1S/C5H10O2/c1-5(2-3-6)4-7-5/h6H,2-4H2,1H3/t5-/m1/s1","InChI=1S/C5H8O.H2O/c1-5-3-2-4(5)6-5;/h4H,2-3H2,1H3;1H2/t4-,5+;/m0./s1",82.25794,19.21001,
10106,[C:1]([C@@:2]1([C:3]([C:4]([O:5][H:15])([H:13])[H:14])([H:11])[H:12])[C:6]([H:16])([H:17])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C@:2]([C:3]([C:4]([O:5][H:15])([H:13])[H:14])([H:11])[H:12])([O+:7]=[C-:6][H:17])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-5(2-3-6)4-7-5/h6H,2-4H2,1H3/t5-/m1/s1","InChI=1S/C5H10O2/c1-5(7-2)3-4-6/h2,5-6H,3-4H2,1H3/t5-/m1/s1",75.95683000000001,49.18233,
10107,[C:1]([C@@:2]1([C:3]([C:4]([O:5][H:15])([H:13])[H:14])([H:11])[H:12])[C:6]([H:16])([H:17])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C@@:2]1([C:3](=[C:4]([H:13])[H:14])[H:11])[C:6]([H:16])([H:17])[O:7]1)([H:8])([H:9])[H:10].[O:5]([H:12])[H:15],"InChI=1S/C5H10O2/c1-5(2-3-6)4-7-5/h6H,2-4H2,1H3/t5-/m1/s1","InChI=1S/C5H8O.H2O/c1-3-5(2)4-6-5;/h3H,1,4H2,2H3;1H2/t5-;/m1./s1",61.96799,12.82806,"1,3_Insertion_ROR"
10108,[C:1]([C@@:2]1([C:3]([C:4]([O:5][H:15])([H:13])[H:14])([H:11])[H:12])[C:6]([H:16])([H:17])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C@@:2]1([C:3]([C:4]([O:5][H:15])([H:13])[H:14])([H:11])[H:12])[C-:6]=[O+:7]1)([H:8])([H:9])[H:10].[H:16][H:17],"InChI=1S/C5H10O2/c1-5(2-3-6)4-7-5/h6H,2-4H2,1H3/t5-/m1/s1","InChI=1S/C5H8O2.H2/c1-5(2-3-6)4-7-5;/h6H,2-3H2,1H3;1H/t5-;/m1./s1",82.42854,66.86283,
10109,[C:1]([C@@:2]1([C:3]([C:4]([O:5][H:15])([H:13])[H:14])([H:11])[H:12])[C:6]([H:16])([H:17])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:15])[C:6]([H:16])([H:17])[O:7]1)([H:8])([H:9])[H:10].[C:3]([C:4](=[O:5])[H:14])([H:11])([H:12])[H:13],"InChI=1S/C5H10O2/c1-5(2-3-6)4-7-5/h6H,2-4H2,1H3/t5-/m1/s1","InChI=1S/C3H6O.C2H4O/c1-3-2-4-3;1-2-3/h3H,2H2,1H3;2H,1H3/t3-;/m0./s1",83.76385,13.49056,
10110,[C:1]([C@@:2]1([C:3]([C:4]([O:5][H:15])([H:13])[H:14])([H:11])[H:12])[C:6]([H:16])([H:17])[O:7]1)([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:16].[C:2]([C:3]([C:4]([O:5][H:15])([H:13])[H:14])([H:11])[H:12])(=[C+:6][H:17])[O-:7],"InChI=1S/C5H10O2/c1-5(2-3-6)4-7-5/h6H,2-4H2,1H3/t5-/m1/s1","InChI=1S/C4H6O2.CH4/c1-4(6)2-3-5;/h1,5H,2-3H2;1H4",108.64827,61.41115,
10111,[C:1]([C@@:2]1([C:3]([C:4]([O:5][H:15])([H:13])[H:14])([H:11])[H:12])[C:6]([H:16])([H:17])[O:7]1)([H:8])([H:9])[H:10],[C:1](=[C:2]([C:3]([C:4]([O:5][H:15])([H:13])[H:14])([H:11])[H:12])[H:8])([H:9])[H:10].[C:6](=[O:7])([H:16])[H:17],"InChI=1S/C5H10O2/c1-5(2-3-6)4-7-5/h6H,2-4H2,1H3/t5-/m1/s1","InChI=1S/C4H8O.CH2O/c1-2-3-4-5;1-2/h2,5H,1,3-4H2;1H2",70.93911999999999,13.443029999999998,
10112,[C:1]([C@@:2]1([C:3]([C:4]([O:5][H:15])([H:13])[H:14])([H:11])[H:12])[C:6]([H:16])([H:17])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[C:6]([H:16])([H:17])[O:7]1)([H:8])([H:9])[H:10].[C:4]([O:5][H:15])[H:14],"InChI=1S/C5H10O2/c1-5(2-3-6)4-7-5/h6H,2-4H2,1H3/t5-/m1/s1","InChI=1S/C4H8O.CH2O/c1-4(2)3-5-4;1-2/h3H2,1-2H3;1-2H",73.97323,77.05611,
10113,[C:1]([C@@:2]1([C:3]([C:4]([O:5][H:15])([H:13])[H:14])([H:11])[H:12])[C:6]([H:16])([H:17])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C:2][C:6]([O:7][C:3]([C:4]([O:5][H:15])([H:13])[H:14])([H:11])[H:12])([H:16])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-5(2-3-6)4-7-5/h6H,2-4H2,1H3/t5-/m1/s1","InChI=1S/C5H10O2/c1-2-4-7-5-3-6/h6H,3-5H2,1H3",98.10054000000001,74.44481999999999,
10114,[C:1]([C@@:2]1([C:3]([C:4]([O:5][H:15])([H:13])[H:14])([H:11])[H:12])[C:6]([H:16])([H:17])[O:7]1)([H:8])([H:9])[H:10],[C:1]([O:7][C:6]([C:2][C:3]([C:4]([O:5][H:15])([H:13])[H:14])([H:11])[H:12])([H:16])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-5(2-3-6)4-7-5/h6H,2-4H2,1H3/t5-/m1/s1","InChI=1S/C5H10O2/c1-7-5-3-2-4-6/h6H,2,4-5H2,1H3",100.8412,80.33837,
10115,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C:5]([C:6](=[O:7])[H:16])([H:14])[H:15])[H:13])([H:8])([H:9])[H:10],[C:1]1([H:10])=[O+:7][C-:6]([H:16])[C:5]([H:14])([H:15])[C@@:4]2([H:13])[C@:2]1([H:11])[N:3]2[H:12].[H:8][H:9],"InChI=1S/C5H9NO/c1-4-5(6-4)2-3-7/h3-6H,2H2,1H3/t4-,5+/m1/s1","InChI=1S/C5H7NO.H2/c1-2-7-3-5-4(1)6-5;/h2-6H,1H2;1H/t4-,5+;/m0./s1",97.42662,71.01720999999999,
10116,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C:5]([C:6](=[O:7])[H:16])([H:14])[H:15])[H:13])([H:8])([H:9])[H:10],[C:1]([C@:6]1([H:16])[C:5]([H:14])([H:15])[C@@:4]2([H:13])[C@:2]([H:11])([N:3]2[H:12])[O:7]1)([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-4-5(6-4)2-3-7/h3-6H,2H2,1H3/t4-,5+/m1/s1","InChI=1S/C5H9NO/c1-3-2-4-5(6-4)7-3/h3-6H,2H2,1H3/t3-,4+,5-/m1/s1",98.63273000000001,1.75128,
10117,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C:5]([C:6](=[O:7])[H:16])([H:14])[H:15])[H:13])([H:8])([H:9])[H:10],[C:1]([C:2]([N:3]([C:4][C:5]([C:6](=[O:7])[H:16])([H:14])[H:15])[H:12])([H:11])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-4-5(6-4)2-3-7/h3-6H,2H2,1H3/t4-,5+/m1/s1","InChI=1S/C5H9NO/c1-2-6-4-3-5-7/h5-6H,2-3H2,1H3",67.12597,30.50344,
10118,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C:5]([C:6](=[O:7])[H:16])([H:14])[H:15])[H:13])([H:8])([H:9])[H:10],[C:1]([C:2](/[N:3]=[C:4](\[C:5]([C:6](=[O:7])[H:16])([H:14])[H:15])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-4-5(6-4)2-3-7/h3-6H,2H2,1H3/t4-,5+/m1/s1","InChI=1S/C5H9NO/c1-2-6-4-3-5-7/h4-5H,2-3H2,1H3/b6-4-",63.302080000000004,-9.23961,
10119,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C:5]([C:6](=[O:7])[H:16])([H:14])[H:15])[H:13])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[N+:3]([H:12])([H:13])[C-:4]1[C:5]([C:6](=[O:7])[H:16])([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-4-5(6-4)2-3-7/h3-6H,2H2,1H3/t4-,5+/m1/s1","InChI=1S/C5H9NO/c1-4-5(6-4)2-3-7/h3-4H,2,6H2,1H3/t4-/m1/s1",72.18172,53.70251999999999,
10120,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C:5]([C:6](=[O:7])[H:16])([H:14])[H:15])[H:13])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C:5]([C:6][O:7][H:16])([H:14])[H:15])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-4-5(6-4)2-3-7/h3-6H,2H2,1H3/t4-,5+/m1/s1","InChI=1S/C5H9NO/c1-4-5(6-4)2-3-7/h4-7H,2H2,1H3/t4-,5+/m1/s1",80.99275,56.08064,
10121,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C:5]([C:6](=[O:7])[H:16])([H:14])[H:15])[H:13])([H:8])([H:9])[H:10],[C:1](/[C:2](=[N:3]/[C:4]([C:5]([C:6](=[O:7])[H:16])([H:14])[H:15])([H:12])[H:13])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-4-5(6-4)2-3-7/h3-6H,2H2,1H3/t4-,5+/m1/s1","InChI=1S/C5H9NO/c1-2-6-4-3-5-7/h2,5H,3-4H2,1H3/b6-2+",64.25426,-13.993879999999999,
10122,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C:5]([C:6](=[O:7])[H:16])([H:14])[H:15])[H:13])([H:8])([H:9])[H:10],[C:1]([C@@:2]([N:3]([C:6](=[O:7])[H:16])[H:12])([C:4](=[C:5]([H:14])[H:15])[H:13])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-4-5(6-4)2-3-7/h3-6H,2H2,1H3/t4-,5+/m1/s1","InChI=1S/C5H9NO/c1-3-5(2)6-4-7/h3-5H,1H2,2H3,(H,6,7)/t5-/m1/s1",41.14164,-21.5614,
10123,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C:5]([C:6](=[O:7])[H:16])([H:14])[H:15])[H:13])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1(/[C:5](=[C:6](\[O:7][H:10])[H:16])[H:15])[H:13])([H:8])([H:9])[H:14],"InChI=1S/C5H9NO/c1-4-5(6-4)2-3-7/h3-6H,2H2,1H3/t4-,5+/m1/s1","InChI=1S/C5H9NO/c1-4-5(6-4)2-3-7/h2-7H,1H3/b3-2-/t4-,5+/m1/s1",67.51272,3.95371,ketoenol
10124,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C:5]([C:6](=[O:7])[H:16])([H:14])[H:15])[H:13])([H:8])([H:9])[H:10],[C-:6]#[O+:7].[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C:4]1=[C:5]([H:14])[H:15])([H:8])([H:9])[H:10].[H:13][H:16],"InChI=1S/C5H9NO/c1-4-5(6-4)2-3-7/h3-6H,2H2,1H3/t4-,5+/m1/s1","InChI=1S/C4H7N.CO.H2/c1-3-4(2)5-3;1-2;/h4-5H,1H2,2H3;;1H/t4-;;/m1../s1",66.12514,32.80636,
10125,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C:5]([C:6](=[O:7])[H:16])([H:14])[H:15])[H:13])([H:8])([H:9])[H:10],[C:1](/[C:2](=[N:3]/[H:12])[H:11])([H:8])([H:9])[H:10].[C:4](=[C:5]([H:14])[H:15])([C:6](=[O:7])[H:16])[H:13],"InChI=1S/C5H9NO/c1-4-5(6-4)2-3-7/h3-6H,2H2,1H3/t4-,5+/m1/s1","InChI=1S/C3H4O.C2H5N/c1-2-3-4;1-2-3/h2-3H,1H2;2-3H,1H3/b;3-2+",61.6448,1.4427,
10126,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C:5]([C:6](=[O:7])[H:16])([H:14])[H:15])[H:13])([H:8])([H:9])[H:10],[C@@:1]12([H:10])[C@@:2]3([H:11])[N:3]([H:12])[C@@:4]3([H:13])[C:5]([H:14])([H:15])[C@:6]1([H:16])[O:7]2.[H:8][H:9],"InChI=1S/C5H9NO/c1-4-5(6-4)2-3-7/h3-6H,2H2,1H3/t4-,5+/m1/s1","InChI=1S/C5H7NO.H2/c1-2-4(6-2)5-3(1)7-5;/h2-6H,1H2;1H/t2-,3-,4-,5-;/m0./s1",95.71685,37.97101,
10127,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C:5]([C:6](=[O:7])[H:16])([H:14])[H:15])[H:13])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C:4]1)([H:8])([H:9])[H:10].[C:5](=[C:6]([O:7][H:13])[H:16])([H:14])[H:15],"InChI=1S/C5H9NO/c1-4-5(6-4)2-3-7/h3-6H,2H2,1H3/t4-,5+/m1/s1","InChI=1S/C3H5N.C2H4O/c1-3-2-4-3;1-2-3/h3-4H,1H3;2-3H,1H2/t3-;/m1./s1",63.449180000000005,68.52883,
10128,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C:5]([C:6](=[O:7])[H:16])([H:14])[H:15])[H:13])([H:8])([H:9])[H:10],[C:1]([C@:2]1([H:11])[C@@:4]2([H:13])[N:3]([H:12])[C@:6]([H:16])([C:5]2([H:14])[H:15])[O:7]1)([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-4-5(6-4)2-3-7/h3-6H,2H2,1H3/t4-,5+/m1/s1","InChI=1S/C5H9NO/c1-3-4-2-5(6-4)7-3/h3-6H,2H2,1H3/t3-,4+,5+/m1/s1",61.324830000000006,8.88771,
10129,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C:5]([C:6](=[O:7])[H:16])([H:14])[H:15])[H:13])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:11].[C:2]1[N:3]([H:12])[C@:4]1([C:5]([C:6](=[O:7])[H:16])([H:14])[H:15])[H:13],"InChI=1S/C5H9NO/c1-4-5(6-4)2-3-7/h3-6H,2H2,1H3/t4-,5+/m1/s1","InChI=1S/C4H5NO.CH4/c6-2-1-4-3-5-4;/h2,4-5H,1H2;1H4/t4-;/m0./s1",80.85240999999999,60.413340000000005,
10130,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C:5]([C:6](=[O:7])[H:16])([H:14])[H:15])[H:13])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C:4]1([H:13])[H:14])([H:8])([H:9])[H:10].[C:5](=[C:6]=[O:7])([H:15])[H:16],"InChI=1S/C5H9NO/c1-4-5(6-4)2-3-7/h3-6H,2H2,1H3/t4-,5+/m1/s1","InChI=1S/C3H7N.C2H2O/c1-3-2-4-3;1-2-3/h3-4H,2H2,1H3;1H2/t3-;/m1./s1",78.15693,17.66855,
10131,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C:5]([C:6](=[O:7])[H:16])([H:14])[H:15])[H:13])([H:8])([H:9])[H:10],[C:1]([C:2][N:3]([C:4]([C:5]([C:6](=[O:7])[H:16])([H:14])[H:15])([H:11])[H:13])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-4-5(6-4)2-3-7/h3-6H,2H2,1H3/t4-,5+/m1/s1","InChI=1S/C5H9NO/c1-2-6-4-3-5-7/h5-6H,3-4H2,1H3",68.25610999999999,31.29703,
10132,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C:5]([C:6](=[O:7])[H:16])([H:14])[H:15])[H:13])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C@@:6]([C:5](/[C:4](=[N:3]/[H:12])[H:13])([H:14])[H:15])([H:16])[O:7]1)([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-4-5(6-4)2-3-7/h3-6H,2H2,1H3/t4-,5+/m1/s1","InChI=1S/C5H9NO/c1-4-5(7-4)2-3-6/h3-6H,2H2,1H3/b6-3+/t4-,5-/m0/s1",70.26344,3.02141,
10133,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C:5]([C:6](=[O:7])[H:16])([H:14])[H:15])[H:13])([H:8])([H:9])[H:10],[C:1](=[C:2]([N:3]([C:4](=[C:5]([H:14])[H:15])[H:13])[H:12])[H:11])([H:8])[H:9].[C:6](=[O:7])([H:10])[H:16],"InChI=1S/C5H9NO/c1-4-5(6-4)2-3-7/h3-6H,2H2,1H3/t4-,5+/m1/s1","InChI=1S/C4H7N.CH2O/c1-3-5-4-2;1-2/h3-5H,1-2H2;1H2",59.278009999999995,16.69708,
10134,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C:5]([C:6](=[O:7])[H:16])([H:14])[H:15])[H:13])([H:8])([H:9])[H:10],[C:1]([N+:3]1([H:12])[C-:2]([H:11])[C@@:4]1([C:5]([C:6](=[O:7])[H:16])([H:14])[H:15])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-4-5(6-4)2-3-7/h3-6H,2H2,1H3/t4-,5+/m1/s1","InChI=1S/C5H9NO/c1-6-4-5(6)2-3-7/h3-6H,2H2,1H3/t5-/m0/s1",97.57163,61.48375,
10135,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C:5]([C:6](=[O:7])[H:16])([H:14])[H:15])[H:13])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C:5]([O+:7]=[C-:6][H:16])([H:14])[H:15])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-4-5(6-4)2-3-7/h3-6H,2H2,1H3/t4-,5+/m1/s1","InChI=1S/C5H9NO/c1-4-5(6-4)3-7-2/h2,4-6H,3H2,1H3/t4-,5+/m1/s1",110.00586000000001,68.89981999999999,
10136,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C:5]([C:6](=[O:7])[H:16])([H:14])[H:15])[H:13])([H:8])([H:9])[H:10],[C:1]([C-:2]([N:3]([C+:4]([C:5]([C:6](=[O:7])[H:16])([H:14])[H:15])[H:13])[H:12])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-4-5(6-4)2-3-7/h3-6H,2H2,1H3/t4-,5+/m1/s1","InChI=1S/C5H9NO/c1-2-6-4-3-5-7/h2,4-6H,3H2,1H3",39.06564,21.2983,
10137,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C:5]([C:6](=[O:7])[H:16])([H:14])[H:15])[H:13])([H:8])([H:9])[H:10],[C-:6]#[O+:7].[C:1]([C@@:2]([N:3]([H:12])[H:16])([C:4](=[C:5]([H:14])[H:15])[H:13])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-4-5(6-4)2-3-7/h3-6H,2H2,1H3/t4-,5+/m1/s1","InChI=1S/C4H9N.CO/c1-3-4(2)5;1-2/h3-4H,1,5H2,2H3;/t4-;/m1./s1",39.14159,-9.65956,
10138,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C:5]([C:6](=[O:7])[H:16])([H:14])[H:15])[H:13])([H:8])([H:9])[H:10],[C:1]([C+:2]1[N:3]([H:12])[C@:4]1([C:5]([C:6]([O-:7])([H:11])[H:16])([H:14])[H:15])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-4-5(6-4)2-3-7/h3-6H,2H2,1H3/t4-,5+/m1/s1","InChI=1S/C5H9NO/c1-4-5(6-4)2-3-7/h5-6H,2-3H2,1H3/t5-/m0/s1",106.28426999999999,78.84185,
10139,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C:5]([C:6](=[O:7])[H:16])([H:14])[H:15])[H:13])([H:8])([H:9])[H:10],[C:1](=[C:2]([H:10])[H:11])([H:8])[H:9].[N:3](=[C:4](/[C:5]([C:6](=[O:7])[H:16])([H:14])[H:15])[H:13])\[H:12],"InChI=1S/C5H9NO/c1-4-5(6-4)2-3-7/h3-6H,2H2,1H3/t4-,5+/m1/s1","InChI=1S/C3H5NO.C2H4/c4-2-1-3-5;1-2/h2-4H,1H2;1-2H2/b4-2+;",76.34622,8.743210000000001,
10140,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C:5]([C:6](=[O:7])[H:16])([H:14])[H:15])[H:13])([H:8])([H:9])[H:10],[C:1]([C@@:2](/[C:4](=[N:3]/[H:12])[H:13])([O:7][C:6](=[C:5]([H:14])[H:15])[H:16])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-4-5(6-4)2-3-7/h3-6H,2H2,1H3/t4-,5+/m1/s1","InChI=1S/C5H9NO/c1-3-7-5(2)4-6/h3-6H,1H2,2H3/b6-4+/t5-/m0/s1",50.78412,-0.33881,
10141,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C:5]([C:6](=[O:7])[H:16])([H:14])[H:15])[H:13])([H:8])([H:9])[H:10],[C:1](=[C:2]1[N:3]([H:12])[C@:4]1([C:5]([C:6](=[O:7])[H:16])([H:14])[H:15])[H:13])([H:8])[H:9].[H:10][H:11],"InChI=1S/C5H9NO/c1-4-5(6-4)2-3-7/h3-6H,2H2,1H3/t4-,5+/m1/s1","InChI=1S/C5H7NO.H2/c1-4-5(6-4)2-3-7;/h3,5-6H,1-2H2;1H/t5-;/m0./s1",111.47475,35.27118,
10142,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C:5]([C:6](=[O:7])[H:16])([H:14])[H:15])[H:13])([H:8])([H:9])[H:10],[C:1]([C:2][C@@:4]([N:3]([H:11])[H:12])([C:5]([C:6](=[O:7])[H:16])([H:14])[H:15])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-4-5(6-4)2-3-7/h3-6H,2H2,1H3/t4-,5+/m1/s1","InChI=1S/C5H9NO/c1-2-5(6)3-4-7/h4-5H,3,6H2,1H3/t5-/m1/s1",70.75837,60.57216,
10143,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C:5]([C:6](=[O:7])[H:16])([H:14])[H:15])[H:13])([H:8])([H:9])[H:10],[C-:6]#[O+:7].[C:1]([C@:2]1([H:11])[N:3]([H:12])[C@@:4]1([C:5]([H:14])([H:15])[H:16])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-4-5(6-4)2-3-7/h3-6H,2H2,1H3/t4-,5+/m1/s1","InChI=1S/C4H9N.CO/c1-3-4(2)5-3;1-2/h3-5H,1-2H3;/t3-,4+;",75.68097,-1.61723,"1,2_Insertion_CO"
10144,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C:5]([C:6](=[O:7])[H:16])([H:14])[H:15])[H:13])([H:8])([H:9])[H:10],[C:1]([C-:2]([C@@:4]1([H:13])[N:3]([H:12])[O+:7]=[C:6]([H:16])[C:5]1([H:14])[H:15])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-4-5(6-4)2-3-7/h3-6H,2H2,1H3/t4-,5+/m1/s1","InChI=1S/C5H9NO/c1-2-5-3-4-7-6-5/h2,4-6H,3H2,1H3/t5-/m1/s1",85.54994,75.6094,
10145,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C:5]([C:6](=[O:7])[H:16])([H:14])[H:15])[H:13])([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:4](\[C:5]([C:6]([N:3]([H:12])[H:16])=[O:7])([H:14])[H:15])[H:13])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-4-5(6-4)2-3-7/h3-6H,2H2,1H3/t4-,5+/m1/s1","InChI=1S/C5H9NO/c1-2-3-4-5(6)7/h2-3H,4H2,1H3,(H2,6,7)/b3-2-",72.6669,-34.52507,
10146,[C:1]([C@:2]12[C:3]([H:11])([H:12])[C@@:4]1([H:13])[C@@:5]1([H:14])[N:6]([H:15])[C@@:7]21[H:16])([H:8])([H:9])[H:10],[C:1]([C:2]1([C@@:7]2([H:16])[C:5]([H:14])=[N:6]2)[C:3]([H:11])=[C:4]1[H:13])([H:8])([H:9])[H:10].[H:12][H:15],"InChI=1S/C6H9N/c1-6-2-3(6)4-5(6)7-4/h3-5,7H,2H2,1H3/t3-,4+,5+,6-/m0/s1","InChI=1S/C6H7N.H2/c1-6(2-3-6)5-4-7-5;/h2-5H,1H3;1H/t5-;/m1./s1",62.38175,38.55316,
10147,[C:1]([C@:2]12[C:3]([H:11])([H:12])[C@@:4]1([H:13])[C@@:5]1([H:14])[N:6]([H:15])[C@@:7]21[H:16])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:7]([H:16])[C@@:5]2([H:14])[C@@:4]([H:13])([C:3]1([H:11])[H:12])[N:6]2[H:15])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-6-2-3(6)4-5(6)7-4/h3-5,7H,2H2,1H3/t3-,4+,5+,6-/m0/s1","InChI=1S/C6H9N/c1-4-2-5-6(3-4)7-5/h2,5-7H,3H2,1H3/t5-,6+/m0/s1",34.323840000000004,-42.69194,
10148,[C:1]([C@:2]12[C:3]([H:11])([H:12])[C@@:4]1([H:13])[C@@:5]1([H:14])[N:6]([H:15])[C@@:7]21[H:16])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:3]([H:11])[C:4]([H:12])([H:13])[C@@:5]2([H:14])[N:6]([H:15])[C@@:7]12[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-6-2-3(6)4-5(6)7-4/h3-5,7H,2H2,1H3/t3-,4+,5+,6-/m0/s1","InChI=1S/C6H9N/c1-4-2-3-5-6(4)7-5/h2,5-7H,3H2,1H3/t5-,6+/m1/s1",56.680859999999996,-45.79137,
10149,[C:1]([C@:2]12[C:3]([H:11])([H:12])[C@@:4]1([H:13])[C@@:5]1([H:14])[N:6]([H:15])[C@@:7]21[H:16])([H:8])([H:9])[H:10],[C:1]([C@:2]1([H:16])[C:3]([H:11])([H:12])[C@:4]1([C@@:5]1([H:14])[N:6]([H:15])[C:7]1)[H:13])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-6-2-3(6)4-5(6)7-4/h3-5,7H,2H2,1H3/t3-,4+,5+,6-/m0/s1","InChI=1S/C6H9N/c1-4-2-5(4)6-3-7-6/h4-7H,2H2,1H3/t4-,5-,6+/m1/s1",47.10935,19.21718,
10150,[C:1]([C@:2]12[C:3]([H:11])([H:12])[C@@:4]1([H:13])[C@@:5]1([H:14])[N:6]([H:15])[C@@:7]21[H:16])([H:8])([H:9])[H:10],[C:1]([C@:2]12[C:3]([H:11])([H:12])[C@@:4]1([H:13])[C:5]([H:14])([H:16])[N:6]([H:15])[C:7]2)([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-6-2-3(6)4-5(6)7-4/h3-5,7H,2H2,1H3/t3-,4+,5+,6-/m0/s1","InChI=1S/C6H9N/c1-6-2-5(6)3-7-4-6/h5,7H,2-3H2,1H3/t5-,6+/m0/s1",56.2145,-14.171129999999998,
10151,[C:1]([C@:2]12[C:3]([H:11])([H:12])[C@@:4]1([H:13])[C@@:5]1([H:14])[N:6]([H:15])[C@@:7]21[H:16])([H:8])([H:9])[H:10],[C:1]([C@:2]12[C:3]([H:11])([H:12])[C@@:4]1([H:13])[C:5][N:6]([H:15])[C:7]2([H:14])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-6-2-3(6)4-5(6)7-4/h3-5,7H,2H2,1H3/t3-,4+,5+,6-/m0/s1","InChI=1S/C6H9N/c1-6-2-5(6)3-7-4-6/h5,7H,2,4H2,1H3/t5-,6+/m0/s1",54.72715,-13.95137,
10152,[C:1]([C@:2]12[C:3]([H:11])([H:12])[C@@:4]1([H:13])[C@@:5]1([H:14])[N:6]([H:15])[C@@:7]21[H:16])([H:8])([H:9])[H:10],[C:1]([C:2]1([C@@:7]2([H:16])[C:5][N:6]2[H:15])[C:3]([H:11])([H:12])[C:4]1([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-6-2-3(6)4-5(6)7-4/h3-5,7H,2H2,1H3/t3-,4+,5+,6-/m0/s1","InChI=1S/C6H9N/c1-6(2-3-6)5-4-7-5/h5,7H,2-3H2,1H3/t5-/m1/s1",48.53235,19.983539999999998,
10153,[C:1]([C@:2]12[C:3]([H:11])([H:12])[C@@:4]1([H:13])[C@@:5]1([H:14])[N:6]([H:15])[C@@:7]21[H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:13])[C:3]([H:11])([H:12])[C:4][C@@:5]2([H:14])[N:6]([H:15])[C@@:7]12[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-6-2-3(6)4-5(6)7-4/h3-5,7H,2H2,1H3/t3-,4+,5+,6-/m0/s1","InChI=1S/C6H9N/c1-4-2-3-5-6(4)7-5/h4-7H,2H2,1H3/t4-,5+,6-/m0/s1",53.410990000000005,26.23787,
10154,[C:1]([C@:2]12[C:3]([H:11])([H:12])[C@@:4]1([H:13])[C@@:5]1([H:14])[N:6]([H:15])[C@@:7]21[H:16])([H:8])([H:9])[H:10],[C:1]([C:2]1([C:3]([H:11])([H:12])[H:15])[C:4]([H:13])=[C:5]([H:14])[N:6]=[C:7]1[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-6-2-3(6)4-5(6)7-4/h3-5,7H,2H2,1H3/t3-,4+,5+,6-/m0/s1","InChI=1S/C6H9N/c1-6(2)3-4-7-5-6/h3-5H,1-2H3",49.32396,-59.42669,
10155,[C:1]([C@:2]12[C:3]([H:11])([H:12])[C@@:4]1([H:13])[C@@:5]1([H:14])[N:6]([H:15])[C@@:7]21[H:16])([H:8])([H:9])[H:10],[C:1]([C@:2]12[C:3]([H:11])([H:12])[C@@:4]1([H:13])[C@:5]2([N:6]([C:7][H:16])[H:15])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-6-2-3(6)4-5(6)7-4/h3-5,7H,2H2,1H3/t3-,4+,5+,6-/m0/s1","InChI=1S/C6H9N/c1-6-3-4(6)5(6)7-2/h2,4-5,7H,3H2,1H3/t4-,5+,6-/m0/s1",55.65495,24.772470000000002,
10156,[C:1]([C@:2]12[C:3]([H:11])([H:12])[C@@:4]1([H:13])[C@@:5]1([H:14])[N:6]([H:15])[C@@:7]21[H:16])([H:8])([H:9])[H:10],[C:1]([C:2][C@@:7]1([H:16])[C@:5]([C:4](=[C:3]([H:11])[H:12])[H:13])([H:14])[N:6]1[H:15])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-6-2-3(6)4-5(6)7-4/h3-5,7H,2H2,1H3/t3-,4+,5+,6-/m0/s1","InChI=1S/C6H9N/c1-3-5-6(4-2)7-5/h3,5-7H,1H2,2H3/t5-,6+/m1/s1",46.823879999999996,37.83098,
10157,[C:1]([C@:2]12[C:3]([H:11])([H:12])[C@@:4]1([H:13])[C@@:5]1([H:14])[N:6]([H:15])[C@@:7]21[H:16])([H:8])([H:9])[H:10],[C:1]([C@:2]12[C:3]([H:11])([H:12])[C@@:4]1([H:13])[C:5]([H:14])=[N:6][C:7]2([H:15])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-6-2-3(6)4-5(6)7-4/h3-5,7H,2H2,1H3/t3-,4+,5+,6-/m0/s1","InChI=1S/C6H9N/c1-6-2-5(6)3-7-4-6/h3,5H,2,4H2,1H3/t5-,6+/m0/s1",50.67109,-51.82098,
10158,[C:1]([C@:2]12[C:3]([H:11])([H:12])[C@@:4]1([H:13])[C@@:5]1([H:14])[N:6]([H:15])[C@@:7]21[H:16])([H:8])([H:9])[H:10],[C:1]([C@:2]12[C:3]([H:11])([H:12])[C@@:4]1([H:13])[C:5]([H:14])([H:15])[N:6]=[C:7]2[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-6-2-3(6)4-5(6)7-4/h3-5,7H,2H2,1H3/t3-,4+,5+,6-/m0/s1","InChI=1S/C6H9N/c1-6-2-5(6)3-7-4-6/h4-5H,2-3H2,1H3/t5-,6+/m0/s1",50.91115,-51.658359999999995,
10159,[C:1]([C@:2]12[C:3]([H:11])([H:12])[C@@:4]1([H:13])[C@@:5]1([H:14])[N:6]([H:15])[C@@:7]21[H:16])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]([H:11])[H:12])[C@@:7]1([H:16])[C@:5]([C:4][H:13])([H:14])[N:6]1[H:15])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-6-2-3(6)4-5(6)7-4/h3-5,7H,2H2,1H3/t3-,4+,5+,6-/m0/s1","InChI=1S/C6H9N/c1-4(2)6-5(3)7-6/h3,5-7H,1H2,2H3/t5-,6+/m1/s1",48.30467,41.73496,
10160,[C:1]([C@:2]12[C:3]([H:11])([H:12])[C@@:4]1([H:13])[C@@:5]1([H:14])[N:6]([H:15])[C@@:7]21[H:16])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:7]([H:16])[N:6]=[C:5]([H:14])[C@@:4]1([C:3]([H:11])([H:12])[H:15])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-6-2-3(6)4-5(6)7-4/h3-5,7H,2H2,1H3/t3-,4+,5+,6-/m0/s1","InChI=1S/C6H9N/c1-5-3-7-4-6(5)2/h3-5H,1-2H3/t5-/m0/s1",45.55526,-62.72596,
10161,[C:1]([C@:2]12[C:3]([H:11])([H:12])[C@@:4]1([H:13])[C@@:5]1([H:14])[N:6]([H:15])[C@@:7]21[H:16])([H:8])([H:9])[H:10],[C:1]([C@:2]1(/[C:7](=[N:6]\[H:15])[H:16])[C:3]([H:11])([H:12])[C:4]1=[C:5]([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-6-2-3(6)4-5(6)7-4/h3-5,7H,2H2,1H3/t3-,4+,5+,6-/m0/s1","InChI=1S/C6H9N/c1-5-3-6(5,2)4-7/h4,7H,1,3H2,2H3/b7-4-/t6-/m1/s1",85.77848,-32.0911,
10162,[C:1]([C@:2]12[C:3]([H:11])([H:12])[C@@:4]1([H:13])[C@@:5]1([H:14])[N:6]([H:15])[C@@:7]21[H:16])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:7]([H:16])[N:6]([H:15])[C:5]([H:14])=[C:4]([H:13])[C:3]1([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-6-2-3(6)4-5(6)7-4/h3-5,7H,2H2,1H3/t3-,4+,5+,6-/m0/s1","InChI=1S/C6H9N/c1-6-3-2-4-7-5-6/h2,4-5,7H,3H2,1H3",42.4469,-64.16528000000001,
10163,[C:1]([C@:2]12[C:3]([H:11])([H:12])[C@@:4]1([H:13])[C@@:5]1([H:14])[N:6]([H:15])[C@@:7]21[H:16])([H:8])([H:9])[H:10],[C:1](=[C:2]1[C:3]([H:11])([H:12])[C:4][C@@:5]2([H:14])[N:6]([H:15])[C@@:7]12[H:16])([H:8])[H:10].[H:9][H:13],"InChI=1S/C6H9N/c1-6-2-3(6)4-5(6)7-4/h3-5,7H,2H2,1H3/t3-,4+,5+,6-/m0/s1","InChI=1S/C6H7N.H2/c1-4-2-3-5-6(4)7-5;/h5-7H,1-2H2;1H/t5-,6+;/m1./s1",87.45694,53.798809999999996,
10164,[C:1]([C@:2]12[C:3]([H:11])([H:12])[C@@:4]1([H:13])[C@@:5]1([H:14])[N:6]([H:15])[C@@:7]21[H:16])([H:8])([H:9])[H:10],[C:1](=[C:2]1[C:3]([H:11])([H:12])[C:4]([H:13])=[C:5]([H:14])[N:6]([H:15])[C:7]1([H:9])[H:16])([H:8])[H:10],"InChI=1S/C6H9N/c1-6-2-3(6)4-5(6)7-4/h3-5,7H,2H2,1H3/t3-,4+,5+,6-/m0/s1","InChI=1S/C6H9N/c1-6-3-2-4-7-5-6/h2,4,7H,1,3,5H2",73.0781,-54.4556,
10165,[C:1]([C@:2]12[C:3]([H:11])([H:12])[C@@:4]1([H:13])[C@@:5]1([H:14])[N:6]([H:15])[C@@:7]21[H:16])([H:8])([H:9])[H:10],[C:1]([C@:2]12[C:3]([H:11])([H:12])[C@@:4]1([H:13])[C-:5][N:6]([H:15])[C+:7]2)([H:8])([H:9])[H:10].[H:14][H:16],"InChI=1S/C6H9N/c1-6-2-3(6)4-5(6)7-4/h3-5,7H,2H2,1H3/t3-,4+,5+,6-/m0/s1","InChI=1S/C6H7N.H2/c1-6-2-5(6)3-7-4-6;/h5,7H,2H2,1H3;1H/t5-,6+;/m0./s1",78.71491999999999,66.88632,
10166,[N:1]#[C:2][c:3]1[c:4]([H:8])[o:5][c:6]([H:9])[c:7]1[H:10],[N:1]#[C:2][C:3]1=[C:7]([H:10])[C@@:6]2([H:9])[C@:4]1([H:8])[O:5]2,"InChI=1S/C5H3NO/c6-3-5-1-2-7-4-5/h1-2,4H","InChI=1S/C5H3NO/c6-2-3-1-4-5(3)7-4/h1,4-5H/t4-,5+/m0/s1",98.88189,66.77946999999999,Intra_2+2_cycloaddition_Cd
10167,[N:1]#[C:2][c:3]1[c:4]([H:8])[o:5][c:6]([H:9])[c:7]1[H:10],[N+:1](#[C-:2])[C:4](=[C:3]=[C:7]([C:6](=[O:5])[H:9])[H:10])[H:8],"InChI=1S/C5H3NO/c6-3-5-1-2-7-4-5/h1-2,4H",InChI=1S/C5H3NO/c1-6-4-2-3-5-7/h3-5H,99.95945999999999,57.42055,
10168,[N:1]#[C:2][c:3]1[c:4]([H:8])[o:5][c:6]([H:9])[c:7]1[H:10],[N+:1](#[C-:2])[c:3]1[c:4]([H:8])[o:5][c:6]([H:9])[c:7]1[H:10],"InChI=1S/C5H3NO/c6-3-5-1-2-7-4-5/h1-2,4H",InChI=1S/C5H3NO/c1-6-5-2-3-7-4-5/h2-4H,59.03043,27.37844,
10169,[N:1]#[C:2][c:3]1[c:4]([H:8])[o:5][c:6]([H:9])[c:7]1[H:10],[N:1]1=[C:2]=[C:3]1/[C:7](=[C:6](\[C:4](=[O:5])[H:8])[H:9])[H:10],"InChI=1S/C5H3NO/c6-3-5-1-2-7-4-5/h1-2,4H",InChI=1S/C5H3NO/c7-3-1-2-5-4-6-5/h1-3H/b2-1-,174.85828999999998,83.32800999999999,
10170,[N:1]#[C:2][c:3]1[c:4]([H:8])[o:5][c:6]([H:9])[c:7]1[H:10],[N:1]#[C:2][C@@:7]([C:3]#[C:4][H:8])([C:6](=[O:5])[H:9])[H:10],"InChI=1S/C5H3NO/c6-3-5-1-2-7-4-5/h1-2,4H","InChI=1S/C5H3NO/c1-2-5(3-6)4-7/h1,4-5H/t5-/m1/s1",99.42989,45.75445,
10171,[N:1]#[C:2][c:3]1[c:4]([H:8])[o:5][c:6]([H:9])[c:7]1[H:10],[N:1]#[C:2][C:3]([C:4](=[O:5])[H:8])=[C:7]=[C:6]([H:9])[H:10],"InChI=1S/C5H3NO/c6-3-5-1-2-7-4-5/h1-2,4H","InChI=1S/C5H3NO/c1-2-5(3-6)4-7/h4H,1H2",71.02215,28.370790000000003,
10172,[N:1]#[C:2][c:3]1[c:4]([H:8])[o:5][c:6]([H:9])[c:7]1[H:10],[N:1]#[C:2][C:4](=[C:3]=[C:7]([C:6](=[O:5])[H:9])[H:10])[H:8],"InChI=1S/C5H3NO/c6-3-5-1-2-7-4-5/h1-2,4H","InChI=1S/C5H3NO/c6-4-2-1-3-5-7/h2-3,5H",78.07046,29.640079999999998,
10173,[N:1]#[C:2][c:3]1[c:4]([H:8])[o:5][c:6]([H:9])[c:7]1[H:10],[N:1]1=[C:2]2[C:3]1=[C:4]([H:8])[O:5][C:6]([H:9])=[C:7]2[H:10],"InChI=1S/C5H3NO/c6-3-5-1-2-7-4-5/h1-2,4H",InChI=1S/C5H3NO/c1-2-7-3-5-4(1)6-5/h1-3H,106.72135,73.99624,
10174,[N:1]#[C:2][c:3]1[c:4]([H:8])[o:5][c:6]([H:9])[c:7]1[H:10],[N:1]#[C:2][C:3]1=[C:4]([H:8])[O+:5]=[C-:6][C:7]1([H:9])[H:10],"InChI=1S/C5H3NO/c6-3-5-1-2-7-4-5/h1-2,4H","InChI=1S/C5H3NO/c6-3-5-1-2-7-4-5/h4H,1H2",67.4053,60.05379,Singlet_Carbene_Intra_Disproportionation
10175,[N:1]#[C:2][c:3]1[c:4]([H:8])[o:5][c:6]([H:9])[c:7]1[H:10],[N:1]#[C:2][C:3]1([C:4](=[O:5])[H:8])[C:6]([H:9])=[C:7]1[H:10],"InChI=1S/C5H3NO/c6-3-5-1-2-7-4-5/h1-2,4H","InChI=1S/C5H3NO/c6-3-5(4-7)1-2-5/h1-2,4H",75.11771,49.821870000000004,ketoenol
10176,[N:1]#[C:2][c:3]1[c:4]([H:8])[o:5][c:6]([H:9])[c:7]1[H:10],[N:1](=[C:2]=[C:3]1[C-:4]=[O+:5][C:6]([H:9])=[C:7]1[H:10])[H:8],"InChI=1S/C5H3NO/c6-3-5-1-2-7-4-5/h1-2,4H","InChI=1S/C5H3NO/c6-3-5-1-2-7-4-5/h1-2,6H",91.52611,65.39475,
10177,[N:1]#[C:2][c:3]1[c:4]([H:8])[o:5][c:6]([H:9])[c:7]1[H:10],[N:1]#[C:2][C@:3]1([H:8])[C-:4]=[O+:5][C:6]([H:9])=[C:7]1[H:10],"InChI=1S/C5H3NO/c6-3-5-1-2-7-4-5/h1-2,4H","InChI=1S/C5H3NO/c6-3-5-1-2-7-4-5/h1-2,5H/t5-/m1/s1",73.19609,68.19139,Singlet_Carbene_Intra_Disproportionation
10178,[N:1]#[C:2][c:3]1[c:4]([H:8])[o:5][c:6]([H:9])[c:7]1[H:10],[N:1]1=[C:2]2/[C:3](=[C:7](/[C:6](=[O:5])[H:9])[H:10])[C@:4]12[H:8],"InChI=1S/C5H3NO/c6-3-5-1-2-7-4-5/h1-2,4H","InChI=1S/C5H3NO/c7-2-1-3-4-5(3)6-4/h1-2,4H/b3-1+/t4-/m0/s1",100.43776,92.03738,
10179,[N:1]#[C:2][c:3]1[c:4]([H:8])[o:5][c:6]([H:9])[c:7]1[H:10],[N-:1]=[C:2]1[C+:3]=[C:4]([H:8])[O:5][C:6]([H:9])=[C:7]1[H:10],"InChI=1S/C5H3NO/c6-3-5-1-2-7-4-5/h1-2,4H","InChI=1S/C5H3NO/c6-5-1-3-7-4-2-5/h1,3-4H",97.92915,98.43213,
10180,[N:1]#[C:2][c:3]1[c:4]([H:8])[o:5][c:6]([H:9])[c:7]1[H:10],[N:1]#[C:2][C:3]1=[C:4]([H:8])[C@@:7]1([C:6](=[O:5])[H:9])[H:10],"InChI=1S/C5H3NO/c6-3-5-1-2-7-4-5/h1-2,4H","InChI=1S/C5H3NO/c6-2-4-1-5(4)3-7/h1,3,5H/t5-/m1/s1",81.67407,48.70967,ketoenol
10181,[N:1]#[C:2][c:3]1[c:4]([H:8])[o:5][c:6]([H:9])[c:7]1[H:10],[N:1]1=[C:2]=[C:3]=[C:4]([H:8])[O:5][C:6]([H:9])=[C:7]1[H:10],"InChI=1S/C5H3NO/c6-3-5-1-2-7-4-5/h1-2,4H",InChI=1S/C5H3NO/c1-2-6-3-5-7-4-1/h3-5H,97.93961,83.53267,
10182,[N:1]#[C:2][c:3]1[c:4]([H:8])[o:5][c:6]([H:9])[c:7]1[H:10],[N+:1](#[C-:2])[C@@:7]([C:3]#[C:4][H:8])([C:6](=[O:5])[H:9])[H:10],"InChI=1S/C5H3NO/c6-3-5-1-2-7-4-5/h1-2,4H","InChI=1S/C5H3NO/c1-3-5(4-7)6-2/h1,4-5H/t5-/m0/s1",126.78823,71.80625,
10183,[N:1]#[C:2][c:3]1[c:4]([H:8])[o:5][c:6]([H:9])[c:7]1[H:10],[N:1]#[C:2][C:3]1=[C:4]([H:8])[O:5][C:7]1=[C:6]([H:9])[H:10],"InChI=1S/C5H3NO/c6-3-5-1-2-7-4-5/h1-2,4H","InChI=1S/C5H3NO/c1-4-5(2-6)3-7-4/h3H,1H2",79.22205,39.89201,
10184,[N:1]#[C:2][c:3]1[c:4]([H:8])[o:5][c:6]([H:9])[c:7]1[H:10],[N:1](=[C-:2][C:3]1=[C:7]=[C:6]([H:9])[O+:5]=[C:4]1[H:8])[H:10],"InChI=1S/C5H3NO/c6-3-5-1-2-7-4-5/h1-2,4H","InChI=1S/C5H3NO/c6-3-5-1-2-7-4-5/h2,4,6H",101.89845,81.46043,
10185,[N:1]#[C:2][c:3]1[c:4]([H:8])[o:5][c:6]([H:9])[c:7]1[H:10],[C:6](#[C:7][H:10])[H:9].[N:1]#[C:2][C:3](=[C:4]=[O:5])[H:8],"InChI=1S/C5H3NO/c6-3-5-1-2-7-4-5/h1-2,4H",InChI=1S/C3HNO.C2H2/c4-2-1-3-5;1-2/h1H;1-2H,105.50299999999999,57.03776,
10186,[N:1]#[C:2][c:3]1[c:4]([H:8])[o:5][c:6]([H:9])[c:7]1[H:10],[N:1]1=[C:4]([H:8])[O:5][C:6]([H:9])=[C:7]([H:10])[C:3]#[C:2]1,"InChI=1S/C5H3NO/c6-3-5-1-2-7-4-5/h1-2,4H","InChI=1S/C5H3NO/c1-2-4-7-5-6-3-1/h2,4-5H",101.07688,85.15465,
10187,[N:1]#[C:2][c:3]1[c:4]([H:8])[o:5][c:6]([H:9])[c:7]1[H:10],[C:6](#[C:7][H:10])[H:9].[N:1]#[C:2][C+:3]=[C:4]([O-:5])[H:8],"InChI=1S/C5H3NO/c6-3-5-1-2-7-4-5/h1-2,4H",InChI=1S/C3HNO.C2H2/c4-2-1-3-5;1-2/h3H;1-2H,115.77956999999999,123.45849,
10188,[N:1]#[C:2][c:3]1[c:4]([H:8])[o:5][c:6]([H:9])[c:7]1[H:10],[N:1]#[C:2][C:3](=[C:4])[C:7](=[C:6]([O:5][H:8])[H:9])[H:10],"InChI=1S/C5H3NO/c6-3-5-1-2-7-4-5/h1-2,4H","InChI=1S/C5H3NO/c1-5(4-6)2-3-7/h2-3,7H",89.3104,86.47015,
10189,[C:1]([O:2][C:3](/[C:4](=[N:5]\[O:6][H:13])[C:7]([H:14])([H:15])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]([C@:4]([N:5]=[O:6])([C:7]([H:14])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H9NO2/c1-4(5-6)3-7-2/h6H,3H2,1-2H3/b5-4-","InChI=1S/C4H9NO2/c1-4(5-6)3-7-2/h4H,3H2,1-2H3/t4-/m1/s1",64.11255,22.659470000000002,ketoenol
10190,[C:1]([O:2][C:3](/[C:4](=[N:5]\[O:6][H:13])[C:7]([H:14])([H:15])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([N:5]([C@@:4]1([C:7]([H:14])([H:15])[H:16])[O:2][C:3]1([H:11])[H:12])[O:6][H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H9NO2/c1-4(5-6)3-7-2/h6H,3H2,1-2H3/b5-4-","InChI=1S/C4H9NO2/c1-4(3-7-4)5(2)6/h6H,3H2,1-2H3/t4-/m0/s1",89.53793,19.41859,
10191,[C:1]([O:2][C:3](/[C:4](=[N:5]\[O:6][H:13])[C:7]([H:14])([H:15])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C@@:3]1([H:12])[C:4]([C:7]([H:14])([H:15])[H:16])=[N:5]1)([H:8])([H:9])[H:10].[O:6]([H:11])[H:13],"InChI=1S/C4H9NO2/c1-4(5-6)3-7-2/h6H,3H2,1-2H3/b5-4-","InChI=1S/C4H7NO.H2O/c1-3-4(5-3)6-2;/h4H,1-2H3;1H2/t4-;/m0./s1",53.280809999999995,3.5596699999999997,
10192,[C:1]([O:2][C:3](/[C:4](=[N:5]\[O:6][H:13])[C:7]([H:14])([H:15])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O+:2]=[C-:3][H:12])([H:8])([H:9])[H:10].[C:4](=[N:5]/[O:6][H:13])(\[C:7]([H:14])([H:15])[H:16])[H:11],"InChI=1S/C4H9NO2/c1-4(5-6)3-7-2/h6H,3H2,1-2H3/b5-4-","InChI=1S/C2H5NO.C2H4O/c1-2-3-4;1-3-2/h2,4H,1H3;1H,2H3/b3-2+;",70.56769,70.95713,
10193,[C:1]([O:2][C:3](/[C:4](=[N:5]\[O:6][H:13])[C:7]([H:14])([H:15])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]([C:4]([N:5]([O:6][H:13])[H:15])=[C:7]([H:14])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H9NO2/c1-4(5-6)3-7-2/h6H,3H2,1-2H3/b5-4-","InChI=1S/C4H9NO2/c1-4(5-6)3-7-2/h5-6H,1,3H2,2H3",59.595980000000004,16.45196,
10194,[C:1]([O:2][C:3](/[C:4](=[N:5]\[O:6][H:13])[C:7]([H:14])([H:15])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][N:5]([C:4](=[C:3]([H:11])[H:12])[C:7]([H:14])([H:15])[H:16])[O:6][H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H9NO2/c1-4(5-6)3-7-2/h6H,3H2,1-2H3/b5-4-","InChI=1S/C4H9NO2/c1-4(2)5(6)7-3/h6H,1H2,2-3H3",65.03322,38.7462,
10195,[C:1]([O:2][C:3](/[C:4](=[N:5]\[O:6][H:13])[C:7]([H:14])([H:15])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]([C+:4]([N:5]([O-:6])[H:13])[C:7]([H:14])([H:15])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H9NO2/c1-4(5-6)3-7-2/h6H,3H2,1-2H3/b5-4-","InChI=1S/C4H9NO2/c1-4(5-6)3-7-2/h5H,3H2,1-2H3",46.77029,12.401689999999999,
10196,[C:1]([O:2][C:3](/[C:4](=[N:5]\[O:6][H:13])[C:7]([H:14])([H:15])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](=[O+:2][C:3](=[C:4]([N-:5][O:6][H:13])[C:7]([H:14])([H:15])[H:16])[H:12])([H:8])[H:9].[H:10][H:11],"InChI=1S/C4H9NO2/c1-4(5-6)3-7-2/h6H,3H2,1-2H3/b5-4-","InChI=1S/C4H7NO2.H2/c1-4(5-6)3-7-2;/h3,6H,2H2,1H3;1H",63.20584,59.8219,
10197,[C:1]([O:2][C:3](/[C:4](=[N:5]\[O:6][H:13])[C:7]([H:14])([H:15])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][H:8])([N:5]([C:4](=[C:3]([H:11])[H:12])[C:7]([H:14])([H:15])[H:16])[O:6][H:13])([H:9])[H:10],"InChI=1S/C4H9NO2/c1-4(5-6)3-7-2/h6H,3H2,1-2H3/b5-4-","InChI=1S/C4H9NO2/c1-4(2)5(7)3-6/h6-7H,1,3H2,2H3",84.19213,2.35848,
10198,[C:1]([O:2][C:3](/[C:4](=[N:5]\[O:6][H:13])[C:7]([H:14])([H:15])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][H:13])([H:8])([H:9])[H:10].[C:3](=[C:4]([N:5]=[O:6])[C:7]([H:14])([H:15])[H:16])([H:11])[H:12],"InChI=1S/C4H9NO2/c1-4(5-6)3-7-2/h6H,3H2,1-2H3/b5-4-","InChI=1S/C3H5NO.CH4O/c1-3(2)4-5;1-2/h1H2,2H3;2H,1H3",29.595779999999998,32.30122,
10199,[C:1]([O:2][C:3](/[C:4](=[N:5]\[O:6][H:13])[C:7]([H:14])([H:15])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O+:2]=[C:3]([C@@:4]([N-:5][O:6][H:13])([C:7]([H:14])([H:15])[H:16])[H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H9NO2/c1-4(5-6)3-7-2/h6H,3H2,1-2H3/b5-4-","InChI=1S/C4H9NO2/c1-4(5-6)3-7-2/h3-4,6H,1-2H3/t4-/m0/s1",63.06186999999999,57.728159999999995,
10200,[C:1]([O:2][C:3](/[C:4](=[N:5]\[O:6][H:13])[C:7]([H:14])([H:15])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C:3](/[C:4](=[N:5]\[C:7]([H:14])([H:15])[H:16])[O:6][H:13])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H9NO2/c1-4(5-6)3-7-2/h6H,3H2,1-2H3/b5-4-","InChI=1S/C4H9NO2/c1-5-4(6)3-7-2/h3H2,1-2H3,(H,5,6)",80.37634,-29.580240000000003,
10201,[C:1]([O:2][C:3](/[C:4](=[N:5]\[O:6][H:13])[C:7]([H:14])([H:15])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]([C:4]([N:5]=[O:6])=[C:7]([H:14])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10].[H:13][H:15],"InChI=1S/C4H9NO2/c1-4(5-6)3-7-2/h6H,3H2,1-2H3/b5-4-","InChI=1S/C4H7NO2.H2/c1-4(5-6)3-7-2;/h1,3H2,2H3;1H",87.11834,47.5208,
10202,[C:1]([O:2][C:3](/[C:4](=[N:5]\[O:6][H:13])[C:7]([H:14])([H:15])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][H:15])([H:8])([H:9])[H:10].[C:3]1([H:11])([H:12])[C:4](=[N:5][O:6][H:13])[C:7]1([H:14])[H:16],"InChI=1S/C4H9NO2/c1-4(5-6)3-7-2/h6H,3H2,1-2H3/b5-4-","InChI=1S/C3H5NO.CH4O/c5-4-3-1-2-3;1-2/h5H,1-2H2;2H,1H3",76.42402,33.01364,
10203,[C:1]([O:2][C:3](/[C:4](=[N:5]\[O:6][H:13])[C:7]([H:14])([H:15])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O+:2]=[C-:3][H:12])([H:8])([H:9])[H:10].[C:4](#[N:5])[C:7]([H:14])([H:15])[H:16].[O:6]([H:11])[H:13],"InChI=1S/C4H9NO2/c1-4(5-6)3-7-2/h6H,3H2,1-2H3/b5-4-","InChI=1S/C2H3N.C2H4O.H2O/c1-2-3;1-3-2;/h1H3;1H,2H3;1H2",53.27639,40.814659999999996,
10204,[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])[O:4][C@@:5]2([H:13])[C@:6]1([O:7][H:15])[H:14])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:6]([C@@:5]1([H:13])[C-:3]=[O+:4]1)([O:7][H:15])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-2-3(6)5-4(2)7-5/h2-6H,1H3/t2-,3+,4-,5+/m1/s1","InChI=1S/C5H8O2/c1-2-4(6)5-3-7-5/h4-6H,2H2,1H3/t4-,5+/m0/s1",54.34006,32.72722,
10205,[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])[O:4][C@@:5]2([H:13])[C@:6]1([O:7][H:15])[H:14])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C@@:3]([C:5](=[O:4])[H:13])([H:12])[C@:6]1([O:7][H:15])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-2-3(6)5-4(2)7-5/h2-6H,1H3/t2-,3+,4-,5+/m1/s1","InChI=1S/C5H8O2/c1-3-4(2-6)5(3)7/h2-5,7H,1H3/t3-,4-,5-/m0/s1",33.47678,-22.12819,
10206,[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])[O:4][C@@:5]2([H:13])[C@:6]1([O:7][H:15])[H:14])([H:8])([H:9])[H:10],[C+:3](=[C:5]([O-:4])[H:13])[H:12].[C:1](/[C:2](=[C:6](\[O:7][H:15])[H:14])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-2-3(6)5-4(2)7-5/h2-6H,1H3/t2-,3+,4-,5+/m1/s1","InChI=1S/C3H6O.C2H2O/c1-2-3-4;1-2-3/h2-4H,1H3;1-2H/b3-2-;",80.96467,62.71171,
10207,[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])[O:4][C@@:5]2([H:13])[C@:6]1([O:7][H:15])[H:14])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C@:3]([O:4][H:13])([H:12])[C:5][C@:6]1([O:7][H:15])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-2-3(6)5-4(2)7-5/h2-6H,1H3/t2-,3+,4-,5+/m1/s1","InChI=1S/C5H8O2/c1-3-4(6)2-5(3)7/h3-7H,1H3/t3-,4-,5+",64.79916999999999,64.93336,
10208,[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])[O:4][C@@:5]2([H:13])[C@:6]1([O:7][H:15])[H:14])([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:3](/[C@@:5]([O:4][H:15])([C:6](=[O:7])[H:14])[H:13])[H:12])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-2-3(6)5-4(2)7-5/h2-6H,1H3/t2-,3+,4-,5+/m1/s1","InChI=1S/C5H8O2/c1-2-3-5(7)4-6/h2-5,7H,1H3/b3-2+/t5-/m1/s1",32.24496,-28.5131,
10209,[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])[O:4][C@@:5]2([H:13])[C@:6]1([O:7][H:15])[H:14])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[O+:4]=[C-:5][C@:6]1([O:7][H:15])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-2-3(6)5-4(2)7-5/h2-6H,1H3/t2-,3+,4-,5+/m1/s1","InChI=1S/C5H8O2/c1-4-2-7-3-5(4)6/h4-6H,2H2,1H3/t4-,5+/m0/s1",61.45075,15.8551,
10210,[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])[O:4][C@@:5]2([H:13])[C@:6]1([O:7][H:15])[H:14])([H:8])([H:9])[H:10],[C:1]([C@@:2]12[C@@:3]([H:12])([O:4]1)[C:5]([H:11])([H:13])[C@:6]2([O:7][H:15])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-2-3(6)5-4(2)7-5/h2-6H,1H3/t2-,3+,4-,5+/m1/s1","InChI=1S/C5H8O2/c1-5-3(6)2-4(5)7-5/h3-4,6H,2H2,1H3/t3-,4+,5-/m1/s1",78.42904,-3.6318699999999997,
10211,[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])[O:4][C@@:5]2([H:13])[C@:6]1([O:7][H:15])[H:14])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C-:3]=[O+:4][C:5]([H:12])([H:13])[C@:6]1([O:7][H:15])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-2-3(6)5-4(2)7-5/h2-6H,1H3/t2-,3+,4-,5+/m1/s1","InChI=1S/C5H8O2/c1-4-2-7-3-5(4)6/h4-6H,3H2,1H3/t4-,5+/m0/s1",58.862069999999996,15.618479999999998,
10212,[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])[O:4][C@@:5]2([H:13])[C@:6]1([O:7][H:15])[H:14])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:3]1([H:12])[O:4][C@:5]1([C:6][O:7][H:15])[H:13])([H:11])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-2-3(6)5-4(2)7-5/h2-6H,1H3/t2-,3+,4-,5+/m1/s1","InChI=1S/C5H8O2/c1-2-4-5(3-6)7-4/h4-6H,2H2,1H3/t4-,5+/m1/s1",50.41837,33.79606,
10213,[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])[O:4][C@@:5]2([H:13])[C@:6]1([O:7][H:15])[H:14])([H:8])([H:9])[H:10],[C:1]([C@@:2]([C@@:3]1([H:12])[O+:4]=[C-:5]1)([C:6]([O:7][H:15])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-2-3(6)5-4(2)7-5/h2-6H,1H3/t2-,3+,4-,5+/m1/s1","InChI=1S/C5H8O2/c1-4(2-6)5-3-7-5/h4-6H,2H2,1H3/t4-,5+/m1/s1",50.739540000000005,33.67088,
10214,[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])[O:4][C@@:5]2([H:13])[C@:6]1([O:7][H:15])[H:14])([H:8])([H:9])[H:10],[C:1]1([H:8])([H:9])[C@@:2]2([H:11])[C@:3]1([H:12])[C@:5]([O:4][H:10])([H:13])[C@:6]2([O:7][H:15])[H:14],"InChI=1S/C5H8O2/c1-2-3(6)5-4(2)7-5/h2-6H,1H3/t2-,3+,4-,5+/m1/s1","InChI=1S/C5H8O2/c6-4-2-1-3(2)5(4)7/h2-7H,1H2/t2-,3+,4-,5+",74.86585,-6.82608,
10215,[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])[O:4][C@@:5]2([H:13])[C@:6]1([O:7][H:15])[H:14])([H:8])([H:9])[H:10],[C:1]([C@@:2]([C:3](=[O:4])[H:12])([C:6](=[C:5]([H:13])[H:14])[O:7][H:15])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-2-3(6)5-4(2)7-5/h2-6H,1H3/t2-,3+,4-,5+/m1/s1","InChI=1S/C5H8O2/c1-4(3-6)5(2)7/h3-4,7H,2H2,1H3/t4-/m0/s1",54.685340000000004,-33.010979999999996,
10216,[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])[O:4][C@@:5]2([H:13])[C@:6]1([O:7][H:15])[H:14])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C@@:3]([C:5][H:13])([H:12])[O:4][C@:6]1([O:7][H:15])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-2-3(6)5-4(2)7-5/h2-6H,1H3/t2-,3+,4-,5+/m1/s1","InChI=1S/C5H8O2/c1-3-4(2)7-5(3)6/h2-6H,1H3/t3-,4-,5+/m0/s1",79.30206,64.58659,
10217,[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])[O:4][C@@:5]2([H:13])[C@:6]1([O:7][H:15])[H:14])([H:8])([H:9])[H:10],[C:1]1([H:8])([H:10])[C@:2]2([H:11])[C@:3]3([H:12])[O:4][C@:5]3([H:13])[C@:6]12[H:14].[O:7]([H:9])[H:15],"InChI=1S/C5H8O2/c1-2-3(6)5-4(2)7-5/h2-6H,1H3/t2-,3+,4-,5+/m1/s1","InChI=1S/C5H6O.H2O/c1-2-3(1)5-4(2)6-5;/h2-5H,1H2;1H2/t2-,3+,4-,5+;",94.12878,39.047309999999996,
10218,[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])[O:4][C@@:5]2([H:13])[C@:6]1([O:7][H:15])[H:14])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C-:3]([H:12])[O+:4]=[C:5]([H:13])[C@:6]1([O:7][H:15])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-2-3(6)5-4(2)7-5/h2-6H,1H3/t2-,3+,4-,5+/m1/s1","InChI=1S/C5H8O2/c1-4-2-7-3-5(4)6/h2-6H,1H3/t4-,5+/m0/s1",47.59637,18.87837,
10219,[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])[O:4][C@@:5]2([H:13])[C@:6]1([O:7][H:15])[H:14])([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:3](\[O:4]/[C:5](=[C:6](\[O:7][H:15])[H:14])[H:13])[H:12])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-2-3(6)5-4(2)7-5/h2-6H,1H3/t2-,3+,4-,5+/m1/s1","InChI=1S/C5H8O2/c1-2-4-7-5-3-6/h2-6H,1H3/b4-2-,5-3-",60.40096,-15.019670000000001,
10220,[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])[O:4][C@@:5]2([H:13])[C@:6]1([O:7][H:15])[H:14])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3][C@:5]([O:4][H:12])([H:13])[C@:6]1([O:7][H:15])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-2-3(6)5-4(2)7-5/h2-6H,1H3/t2-,3+,4-,5+/m1/s1","InChI=1S/C5H8O2/c1-3-2-4(6)5(3)7/h3-7H,1H3/t3-,4+,5-/m0/s1",62.43506,62.36549,
10221,[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])[O:4][C@@:5]2([H:13])[C@:6]1([O:7][H:15])[H:14])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C-:3]=[O+:4][C:5][C@:6]1([O:7][H:15])[H:14])([H:8])([H:9])[H:10].[H:12][H:13],"InChI=1S/C5H8O2/c1-2-3(6)5-4(2)7-5/h2-6H,1H3/t2-,3+,4-,5+/m1/s1","InChI=1S/C5H6O2.H2/c1-4-2-7-3-5(4)6;/h4-6H,1H3;1H/t4-,5+;/m0./s1",106.77353000000001,110.88882,
10222,[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])[O:4][C@@:5]2([H:13])[C@:6]1([O:7][H:15])[H:14])([H:8])([H:9])[H:10],[C:1](=[C:2]([C@@:6]([C@@:5]1([H:13])[C-:3]=[O+:4]1)([O:7][H:15])[H:14])[H:11])([H:8])[H:9].[H:10][H:12],"InChI=1S/C5H8O2/c1-2-3(6)5-4(2)7-5/h2-6H,1H3/t2-,3+,4-,5+/m1/s1","InChI=1S/C5H6O2.H2/c1-2-4(6)5-3-7-5;/h2,4-6H,1H2;1H/t4-,5+;/m0./s1",90.43244,63.53826,
10223,[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])[O:4][C@@:5]2([H:13])[C@:6]1([O:7][H:15])[H:14])([H:8])([H:9])[H:10],[C:1]([C@@:2]([C@@:3]1([H:12])[O:4][C:5]1([H:13])[H:14])([C:6][O:7][H:15])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-2-3(6)5-4(2)7-5/h2-6H,1H3/t2-,3+,4-,5+/m1/s1","InChI=1S/C5H8O2/c1-4(2-6)5-3-7-5/h4-6H,3H2,1H3/t4-,5+/m1/s1",59.45154,41.00679,
10224,[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])[O:4][C@@:5]2([H:13])[C@:6]1([O:7][H:15])[H:14])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:11].[C:2]1[C@@:3]2([H:12])[O:4][C@@:5]2([H:13])[C@:6]1([O:7][H:15])[H:14],"InChI=1S/C5H8O2/c1-2-3(6)5-4(2)7-5/h2-6H,1H3/t2-,3+,4-,5+/m1/s1","InChI=1S/C4H4O2.CH4/c5-2-1-3-4(2)6-3;/h2-5H;1H4/t2-,3+,4-;/m0./s1",81.19333,69.81694,
10225,[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])[O:4][C@@:5]2([H:13])[C@:6]1([O:7][H:15])[H:14])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]2=[O+:4][C@@:5]2([H:13])[C-:6]1[O:7][H:15])([H:8])([H:9])[H:10].[H:12][H:14],"InChI=1S/C5H8O2/c1-2-3(6)5-4(2)7-5/h2-6H,1H3/t2-,3+,4-,5+/m1/s1","InChI=1S/C5H6O2.H2/c1-2-3(6)5-4(2)7-5;/h2,5-6H,1H3;1H/t2-,5+;/m1./s1",107.61998,73.54493000000001,
10226,[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])[O:4][C@@:5]2([H:13])[C@:6]1([O:7][H:15])[H:14])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[O:4][C@@:5]([C:3][H:12])([H:13])[C@:6]1([O:7][H:15])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-2-3(6)5-4(2)7-5/h2-6H,1H3/t2-,3+,4-,5+/m1/s1","InChI=1S/C5H8O2/c1-3-5(6)4(2)7-3/h1,3-6H,2H3/t3-,4-,5-/m1/s1",93.13656999999999,71.03645999999999,
10227,[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])[O:4][C@@:5]2([H:13])[C@:6]1([O:7][H:15])[H:14])([H:8])([H:9])[H:10],[C:1]([C@@:6]([C@@:5]1([H:13])[C@:3]([C:2][H:11])([H:12])[O:4]1)([O:7][H:15])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-2-3(6)5-4(2)7-5/h2-6H,1H3/t2-,3+,4-,5+/m1/s1","InChI=1S/C5H8O2/c1-3(6)5-4(2)7-5/h2-6H,1H3/t3-,4+,5-/m0/s1",106.07394,70.63923,
10228,[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])[O:4][C@@:5]2([H:13])[C@:6]1([O:7][H:15])[H:14])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C@:5]([O+:4]=[C-:3][H:12])([H:13])[C@:6]1([O:7][H:15])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-2-3(6)5-4(2)7-5/h2-6H,1H3/t2-,3+,4-,5+/m1/s1","InChI=1S/C5H8O2/c1-3-4(6)5(3)7-2/h2-6H,1H3/t3-,4+,5-/m1/s1",77.25343000000001,53.911719999999995,
10229,[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])[O:4][C@@:5]2([H:13])[C@:6]1([O:7][H:15])[H:14])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])[O:4][C:5]2=[C:6]1[O:7][H:15])([H:8])([H:9])[H:10].[H:13][H:14],"InChI=1S/C5H8O2/c1-2-3(6)5-4(2)7-5/h2-6H,1H3/t2-,3+,4-,5+/m1/s1","InChI=1S/C5H6O2.H2/c1-2-3(6)5-4(2)7-5;/h2,4,6H,1H3;1H/t2-,4-;/m1./s1",105.02053000000001,86.57506,
10230,[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])[O:4][C@@:5]2([H:13])[C@:6]1([O:7][H:15])[H:14])([H:8])([H:9])[H:10],[C:1](=[C:2]([C:3]([O:4]/[C:5](=[C:6](\[O:7][H:15])[H:14])[H:13])([H:10])[H:12])[H:11])([H:8])[H:9],"InChI=1S/C5H8O2/c1-2-3(6)5-4(2)7-5/h2-6H,1H3/t2-,3+,4-,5+/m1/s1","InChI=1S/C5H8O2/c1-2-4-7-5-3-6/h2-3,5-6H,1,4H2/b5-3-",82.08672,-9.45677,
10231,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C@@:4]1([H:15])[O:5][C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C@@:4]([O:5][H:16])([C:6][C:7]([H:17])([H:18])[H:19])[H:15])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-4(2)6-5(3)7-6/h4-6H,1-3H3/t5-,6+/m0/s1","InChI=1S/C6H12O/c1-4-6(7)5(2)3/h5-7H,1-3H3/t6-/m0/s1",67.27255,66.05354,
10232,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C@@:4]1([H:15])[O:5][C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]([H:12])[H:13])[H:11])([H:8])([H:9])[H:10].[C:4](=[O:5])([C:6]([C:7]([H:17])([H:18])[H:19])([H:14])[H:16])[H:15],"InChI=1S/C6H12O/c1-4(2)6-5(3)7-6/h4-6H,1-3H3/t5-,6+/m0/s1","InChI=1S/C3H6O.C3H6/c1-2-3-4;1-3-2/h3H,2H2,1H3;3H,1H2,2H3",59.691269999999996,1.6107799999999999,
10233,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C@@:4]1([H:15])[O:5][C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C:4]([O+:5]=[C-:6][C:7]([H:17])([H:18])[H:19])([H:15])[H:16])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-4(2)6-5(3)7-6/h4-6H,1-3H3/t5-,6+/m0/s1","InChI=1S/C6H12O/c1-4-7-5-6(2)3/h6H,5H2,1-3H3",72.99466,40.53638,
10234,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C@@:4]1([H:15])[O:5][C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])[H:11])([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:4](/[C:3]([H:12])([H:13])[H:14])[H:15])[H:11])([H:8])([H:9])[H:10].[O:5]=[C:6]([C:7]([H:17])([H:18])[H:19])[H:16],"InChI=1S/C6H12O/c1-4(2)6-5(3)7-6/h4-6H,1-3H3/t5-,6+/m0/s1","InChI=1S/C4H8.C2H4O/c1-3-4-2;1-2-3/h3-4H,1-2H3;2H,1H3/b4-3+;",71.56815,-0.77751,
10235,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C@@:4]1([H:15])[O:5][C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C:4](=[O+:5][C-:6]([C:7]([H:17])([H:18])[H:19])[H:16])[H:15])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-4(2)6-5(3)7-6/h4-6H,1-3H3/t5-,6+/m0/s1","InChI=1S/C6H12O/c1-4-7-5-6(2)3/h4-6H,1-3H3",54.42841,40.80353,
10236,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C@@:4]1([H:15])[O:5][C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])[H:11])([H:8])([H:9])[H:10],[C:1]([O:5][C@:6](/[C:4](=[C:2](/[C:3]([H:12])([H:13])[H:14])[H:11])[H:15])([C:7]([H:17])([H:18])[H:19])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-4(2)6-5(3)7-6/h4-6H,1-3H3/t5-,6+/m0/s1","InChI=1S/C6H12O/c1-4-5-6(2)7-3/h4-6H,1-3H3/b5-4+/t6-/m0/s1",80.91176999999999,2.03527,
10237,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C@@:4]1([H:15])[O:5][C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])[H:11])([H:8])([H:9])[H:10],[C-:1]([C@@:2]([C:3]([H:12])([H:13])[H:14])([C@@:4]1([H:15])[O+:5]=[C:6]1[H:16])[H:11])([H:8])[H:9].[C:7]([H:10])([H:17])([H:18])[H:19],"InChI=1S/C6H12O/c1-4(2)6-5(3)7-6/h4-6H,1-3H3/t5-,6+/m0/s1","InChI=1S/C5H8O.CH4/c1-4(2)5-3-6-5;/h3-5H,1H2,2H3;1H4/t4-,5-;/m0./s1",106.0756,92.46372,
10238,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C@@:4]1([H:15])[O:5][C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C-:4]=[O+:5][C:6]([C:7]([H:17])([H:18])[H:19])([H:15])[H:16])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-4(2)6-5(3)7-6/h4-6H,1-3H3/t5-,6+/m0/s1","InChI=1S/C6H12O/c1-4-7-5-6(2)3/h6H,4H2,1-3H3",73.32582,41.27019,
10239,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C@@:4]1([H:15])[O:5][C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C@@:4]1([H:15])[O:5][C:6]1=[C:7]([H:17])[H:19])[H:11])([H:8])([H:9])[H:10].[H:16][H:18],"InChI=1S/C6H12O/c1-4(2)6-5(3)7-6/h4-6H,1-3H3/t5-,6+/m0/s1","InChI=1S/C6H10O.H2/c1-4(2)6-5(3)7-6;/h4,6H,3H2,1-2H3;1H/t6-;/m1./s1",109.37046000000001,32.73707,
10240,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C@@:4]1([H:15])[O:5][C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C:4](=[O:5])[C:6]([C:7]([H:17])([H:18])[H:19])([H:15])[H:16])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-4(2)6-5(3)7-6/h4-6H,1-3H3/t5-,6+/m0/s1","InChI=1S/C6H12O/c1-4-6(7)5(2)3/h5H,4H2,1-3H3",52.20751,-24.00587,
10241,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C@@:4]1([H:15])[O:5][C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])[H:11])([H:8])([H:9])[H:10],[C:1]([O:5][C:4]1([H:15])[C@:2]([C:3]([H:12])([H:13])[H:14])([H:11])[C@@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-4(2)6-5(3)7-6/h4-6H,1-3H3/t5-,6+/m0/s1","InChI=1S/C6H12O/c1-4-5(2)6(4)7-3/h4-6H,1-3H3/t4-,5-/m0/s1",99.07191999999999,8.88312,
10242,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C@@:4]1([H:15])[O:5][C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C@@:4]([C:6](=[O:5])[H:16])([C:7]([H:17])([H:18])[H:19])[H:15])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-4(2)6-5(3)7-6/h4-6H,1-3H3/t5-,6+/m0/s1","InChI=1S/C6H12O/c1-5(2)6(3)4-7/h4-6H,1-3H3/t6-/m1/s1",50.035090000000004,-18.24338,
10243,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C@@:4]1([H:15])[O:5][C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([O:5][C@:6]([C:4][H:15])([C:7]([H:17])([H:18])[H:19])[H:16])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-4(2)6-5(3)7-6/h4-6H,1-3H3/t5-,6+/m0/s1","InChI=1S/C6H12O/c1-5(2)7-6(3)4/h1,5-6H,2-4H3/t5-/m1/s1",100.65436,77.54558,
10244,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C@@:4]1([H:15])[O:5][C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C@@:4]([O:5][C:7]([H:17])([H:18])[H:19])([C:6][H:16])[H:15])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-4(2)6-5(3)7-6/h4-6H,1-3H3/t5-,6+/m0/s1","InChI=1S/C6H12O/c1-5(2)6(3)7-4/h3,5-6H,1-2,4H3/t6-/m0/s1",102.4713,83.88855,
10245,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C@@:4]1([H:15])[O:5][C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])[H:11])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:11].[C:2]([C:3]([H:12])([H:13])[H:14])[C@@:4]1([H:15])[O:5][C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16],"InChI=1S/C6H12O/c1-4(2)6-5(3)7-6/h4-6H,1-3H3/t5-,6+/m0/s1","InChI=1S/C5H8O.CH4/c1-3-5-4(2)6-5;/h4-5H,1-2H3;1H4/t4-,5+;/m0./s1",81.745,86.43871,
10246,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C@@:4]1([H:15])[O:5][C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C:4][C@@:6]([O:5][H:15])([C:7]([H:17])([H:18])[H:19])[H:16])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-4(2)6-5(3)7-6/h4-6H,1-3H3/t5-,6+/m0/s1","InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5-7H,1-3H3/t6-/m0/s1",67.61022,66.26942,
10247,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C@@:4]1([H:15])[O:5][C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C@@:4]([O+:5]=[C-:6][H:16])([C:7]([H:17])([H:18])[H:19])[H:15])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-4(2)6-5(3)7-6/h4-6H,1-3H3/t5-,6+/m0/s1","InChI=1S/C6H12O/c1-5(2)6(3)7-4/h4-6H,1-3H3/t6-/m0/s1",97.66619,47.34769,
10248,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C@@:4]1([H:15])[O:5][C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])[H:11])([H:8])([H:9])[H:10],[C-:4]1=[O+:5][C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16].[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([H:11])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-4(2)6-5(3)7-6/h4-6H,1-3H3/t5-,6+/m0/s1","InChI=1S/C3H4O.C3H8/c1-3-2-4-3;1-3-2/h3H,1H3;3H2,1-2H3/t3-;/m0./s1",76.46618000000001,58.84749,
10249,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C@@:4]1([H:15])[O:5][C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C@@:4]1([H:15])[O+:5]=[C-:6]1)[H:11])([H:8])([H:9])[H:10].[C:7]([H:16])([H:17])([H:18])[H:19],"InChI=1S/C6H12O/c1-4(2)6-5(3)7-6/h4-6H,1-3H3/t5-,6+/m0/s1","InChI=1S/C5H8O.CH4/c1-4(2)5-3-6-5;/h4-5H,1-2H3;1H4/t5-;/m0./s1",78.90021999999999,54.841390000000004,
10250,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C@@:4]1([H:15])[O:5][C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]([H:12])[H:13])[C@@:4]1([H:15])[O:5][C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])([H:8])([H:9])[H:10].[H:11][H:14],"InChI=1S/C6H12O/c1-4(2)6-5(3)7-6/h4-6H,1-3H3/t5-,6+/m0/s1","InChI=1S/C6H10O.H2/c1-4(2)6-5(3)7-6;/h5-6H,1H2,2-3H3;1H/t5-,6+;/m0./s1",106.48831000000001,29.02342,
10251,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C@@:4]1([H:15])[O:5][C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])=[C:4]([O:5][C:6](=[C:7]([H:17])[H:19])[H:16])[H:15])([H:8])([H:9])[H:10].[H:11][H:18],"InChI=1S/C6H12O/c1-4(2)6-5(3)7-6/h4-6H,1-3H3/t5-,6+/m0/s1","InChI=1S/C6H10O.H2/c1-4-7-5-6(2)3;/h4-5H,1H2,2-3H3;1H",61.40193000000001,22.31289,
10252,[C:1](/[N:2]=[C:3]1\[O:4][C@@:5]2([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14])([H:8])([H:9])[H:10],[C:1]([N:2]([C:3]1=[C:7]2[C@@:5]([H:11])([O:4]1)[C:6]2([H:12])[H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-6-5-3-2-4(3)7-5/h3-4H,2H2,1H3/b6-5-/t3-,4+/m1/s1","InChI=1S/C5H7NO/c1-6-5-3-2-4(3)7-5/h4,6H,2H2,1H3/t4-/m0/s1",76.40543000000001,41.83501,
10253,[C:1](/[N:2]=[C:3]1\[O:4][C@@:5]2([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14])([H:8])([H:9])[H:10],[C:1](/[N:2]=[C:3]1\[O:4][C:5]([H:11])([H:14])[C:6]([H:12])([H:13])[C:7]1)([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-6-5-3-2-4(3)7-5/h3-4H,2H2,1H3/b6-5-/t3-,4+/m1/s1","InChI=1S/C5H7NO/c1-6-5-3-2-4-7-5/h2,4H2,1H3/b6-5-",60.96496,42.93095,
10254,[C:1](/[N:2]=[C:3]1\[O:4][C@@:5]2([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14])([H:8])([H:9])[H:10],[C:1]([N:2]=[C:3]=[C:7]([C:6]([C:5](=[O:4])[H:11])([H:12])[H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-6-5-3-2-4(3)7-5/h3-4H,2H2,1H3/b6-5-/t3-,4+/m1/s1","InChI=1S/C5H7NO/c1-6-4-2-3-5-7/h2,5H,3H2,1H3",20.34264,-16.38952,
10255,[C:1](/[N:2]=[C:3]1\[O:4][C@@:5]2([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14])([H:8])([H:9])[H:10],[C:1](/[N:2]=[C:3]1\[O:4][C@:5]([C:6]([H:12])([H:13])[H:14])([H:11])[C:7]1)([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-6-5-3-2-4(3)7-5/h3-4H,2H2,1H3/b6-5-/t3-,4+/m1/s1","InChI=1S/C5H7NO/c1-4-3-5(6-2)7-4/h4H,1-2H3/b6-5-/t4-/m0/s1",62.04401,60.55591,
10256,[C:1](/[N:2]=[C:3]1\[O:4][C@@:5]2([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14])([H:8])([H:9])[H:10],[C:1](/[N:2]=[C:3]1\[O+:4]=[C-:5][C:6]([H:12])([H:13])[C:7]1([H:11])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-6-5-3-2-4(3)7-5/h3-4H,2H2,1H3/b6-5-/t3-,4+/m1/s1","InChI=1S/C5H7NO/c1-6-5-3-2-4-7-5/h2-3H2,1H3/b6-5-",50.20032,12.43266,
10257,[C:1](/[N:2]=[C:3]1\[O:4][C@@:5]2([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14])([H:8])([H:9])[H:10],[C-:1]([N:2]([C:3]1=[O+:4][C@@:5]2([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14])[H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-6-5-3-2-4(3)7-5/h3-4H,2H2,1H3/b6-5-/t3-,4+/m1/s1","InChI=1S/C5H7NO/c1-6-5-3-2-4(3)7-5/h3-4,6H,1-2H2/t3-,4+/m1/s1",74.66377,46.554159999999996,
10258,[C:1](/[N:2]=[C:3]1\[O:4][C@@:5]2([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14])([H:8])([H:9])[H:10],[C:1]([N:2]([C:3]1=[O+:4][C-:5]2[C:6]([H:12])([H:13])[C@@:7]12[H:14])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-6-5-3-2-4(3)7-5/h3-4H,2H2,1H3/b6-5-/t3-,4+/m1/s1","InChI=1S/C5H7NO/c1-6-5-3-2-4(3)7-5/h3,6H,2H2,1H3/t3-/m1/s1",92.69199,38.52563,
10259,[C:1](/[N:2]=[C:3]1\[O:4][C@@:5]2([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14])([H:8])([H:9])[H:10],[C:1]([N+:2]#[C-:3])([H:8])([H:9])[H:10].[O:4]1[C@@:5]2([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14],"InChI=1S/C5H7NO/c1-6-5-3-2-4(3)7-5/h3-4H,2H2,1H3/b6-5-/t3-,4+/m1/s1","InChI=1S/C3H4O.C2H3N/c1-2-3(1)4-2;1-3-2/h2-3H,1H2;1H3/t2-,3+;",85.58368,59.62976,
10260,[C:1](/[N:2]=[C:3]1\[O:4][C@@:5]2([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14])([H:8])([H:9])[H:10],[C:1](=[N:2][C@@:3]12[O:4][C@@:5]3([H:11])[C@:6]1([H:13])[C@@:7]23[H:14])([H:8])[H:9].[H:10][H:12],"InChI=1S/C5H7NO/c1-6-5-3-2-4(3)7-5/h3-4H,2H2,1H3/b6-5-/t3-,4+/m1/s1","InChI=1S/C5H5NO.H2/c1-6-5-2-3(5)4(2)7-5;/h2-4H,1H2;1H/t2-,3+,4-,5+;",93.23472,72.52474000000001,
10261,[C:1](/[N:2]=[C:3]1\[O:4][C@@:5]2([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14])([H:8])([H:9])[H:10],[C:1](/[N:2]=[C:3]1\[O:4][C@:5]([C:6][H:13])([H:11])[C:7]1([H:12])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-6-5-3-2-4(3)7-5/h3-4H,2H2,1H3/b6-5-/t3-,4+/m1/s1","InChI=1S/C5H7NO/c1-4-3-5(6-2)7-4/h1,4H,3H2,2H3/b6-5-/t4-/m0/s1",60.902359999999994,63.03742,
10262,[C:1](/[N:2]=[C:3]1\[O:4][C@@:5]2([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14])([H:8])([H:9])[H:10],[C:1]([O:4][C@@:5]1([H:11])[C:6]([H:12])([H:13])[C@:7]1([C:3]#[N:2])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-6-5-3-2-4(3)7-5/h3-4H,2H2,1H3/b6-5-/t3-,4+/m1/s1","InChI=1S/C5H7NO/c1-7-5-2-4(5)3-6/h4-5H,2H2,1H3/t4-,5-/m0/s1",80.53008,-13.84353,
10263,[C:1](/[N:2]=[C:3]1\[O:4][C@@:5]2([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14])([H:8])([H:9])[H:10],[C:1]([N:2]=[C:3]=[O:4])([H:8])([H:9])[H:10].[C:5]1([H:11])=[C:7]([H:14])[C:6]1([H:12])[H:13],"InChI=1S/C5H7NO/c1-6-5-3-2-4(3)7-5/h3-4H,2H2,1H3/b6-5-/t3-,4+/m1/s1","InChI=1S/C3H4.C2H3NO/c1-2-3-1;1-3-2-4/h1-2H,3H2;1H3",44.81626,8.48135,2+2_cycloaddition
10264,[C:1](/[N:2]=[C:3]1\[O:4][C@@:5]2([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14])([H:8])([H:9])[H:10],[C:1]([N:2]1[C:3]([O:4][C:5](=[C:6]([H:12])[H:13])[H:11])=[C:7]1[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-6-5-3-2-4(3)7-5/h3-4H,2H2,1H3/b6-5-/t3-,4+/m1/s1","InChI=1S/C5H7NO/c1-3-7-5-4-6(5)2/h3-4H,1H2,2H3",54.7203,50.76471,
10265,[C:1](/[N:2]=[C:3]1\[O:4][C@@:5]2([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14])([H:8])([H:9])[H:10],[C:1](/[N:2]=[C:3]([C:7](=[C:6](\[C:5](=[O:4])[H:11])[H:13])/[H:14])\[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-6-5-3-2-4(3)7-5/h3-4H,2H2,1H3/b6-5-/t3-,4+/m1/s1","InChI=1S/C5H7NO/c1-6-4-2-3-5-7/h2-5H,1H3/b3-2-,6-4+",95.37068000000001,-26.98503,
10266,[C:1](/[N:2]=[C:3]1\[O:4][C@@:5]2([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14])([H:8])([H:9])[H:10],[C:1](=[N:2][C:3]1=[C:7]2[C@@:5]([H:11])([O:4]1)[C:6]2([H:12])[H:13])([H:8])[H:9].[H:10][H:14],"InChI=1S/C5H7NO/c1-6-5-3-2-4(3)7-5/h3-4H,2H2,1H3/b6-5-/t3-,4+/m1/s1","InChI=1S/C5H5NO.H2/c1-6-5-3-2-4(3)7-5;/h4H,1-2H2;1H/t4-;/m0./s1",78.90626,72.983,
10267,[C:1](/[N:2]=[C:3]1\[O:4][C@@:5]2([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14])([H:8])([H:9])[H:10],[C:1]([N:2]1[C:3](=[O:4])[C@:7]1([C:5](=[C:6]([H:12])[H:13])[H:11])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-6-5-3-2-4(3)7-5/h3-4H,2H2,1H3/b6-5-/t3-,4+/m1/s1","InChI=1S/C5H7NO/c1-3-4-5(7)6(4)2/h3-4H,1H2,2H3/t4-,6?/m1/s1",42.95605,-8.161430000000001,
10268,[C:1](/[N:2]=[C:3]1\[O:4][C@@:5]2([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14])([H:8])([H:9])[H:10],[C:1](/[N:2]=[C:3]1\[O+:4]=[C-:5][C@:7]1([C:6]([H:11])([H:12])[H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-6-5-3-2-4(3)7-5/h3-4H,2H2,1H3/b6-5-/t3-,4+/m1/s1","InChI=1S/C5H7NO/c1-4-3-7-5(4)6-2/h4H,1-2H3/b6-5-/t4-/m1/s1",50.17607,31.47832,
10269,[C:1](/[N:2]=[C:3]1\[O:4][C@@:5]2([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14])([H:8])([H:9])[H:10],[C:1]([N-:2][C@@:3]1([H:14])[O:4][C@@:5]2([H:11])[C:6]([H:12])([H:13])[C+:7]12)([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-6-5-3-2-4(3)7-5/h3-4H,2H2,1H3/b6-5-/t3-,4+/m1/s1","InChI=1S/C5H7NO/c1-6-5-3-2-4(3)7-5/h4-5H,2H2,1H3/t4-,5-/m0/s1",104.10795999999999,84.70329,
10270,[C:1](/[N:2]=[C:3]1\[O:4][C@@:5]2([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14])([H:8])([H:9])[H:10],[C:1](=[N:2][C:3]1=[O+:4][C-:5]([H:11])[C:6]([H:12])([H:13])[C:7]1([H:10])[H:14])([H:8])[H:9],"InChI=1S/C5H7NO/c1-6-5-3-2-4(3)7-5/h3-4H,2H2,1H3/b6-5-/t3-,4+/m1/s1","InChI=1S/C5H7NO/c1-6-5-3-2-4-7-5/h4H,1-3H2",54.93289,12.38592,
10271,[C:1]([C:2]([C:3]([C:4]([C:5]([O:6][C:7]([H:19])([H:20])[H:21])([H:17])[H:18])([H:15])[H:16])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]([H:13])[H:14])[H:11])([H:8])([H:9])[H:10].[C:4](=[C:5]([O:6][C:7]([H:19])([H:20])[H:21])[H:17])([H:15])[H:16].[H:12][H:18],"InChI=1S/C6H14O/c1-3-4-5-6-7-2/h3-6H2,1-2H3","InChI=1S/C3H6O.C3H6.H2/c1-3-4-2;1-3-2;/h3H,1H2,2H3;3H,1H2,2H3;1H",75.18299,46.51575,
10272,[C:1]([C:2]([C:3]([C:4]([C:5]([O:6][C:7]([H:19])([H:20])[H:21])([H:17])[H:18])([H:15])[H:16])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3](/[C:4](=[C:5](/[O:6][C:7]([H:19])([H:20])[H:21])[H:17])[H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10].[H:16][H:18],"InChI=1S/C6H14O/c1-3-4-5-6-7-2/h3-6H2,1-2H3","InChI=1S/C6H12O.H2/c1-3-4-5-6-7-2;/h5-6H,3-4H2,1-2H3;1H/b6-5+;",100.50686,25.57923,
10273,[C:1]([C:2]([C:3]([C:4]([C:5]([O:6][C:7]([H:19])([H:20])[H:21])([H:17])[H:18])([H:15])[H:16])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([C:4]([C:5]([H:17])([H:18])[H:21])([H:15])[H:16])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10].[O:6]=[C:7]([H:19])[H:20],"InChI=1S/C6H14O/c1-3-4-5-6-7-2/h3-6H2,1-2H3","InChI=1S/C5H12.CH2O/c1-3-5-4-2;1-2/h3-5H2,1-2H3;1H2",76.60691,4.94086,
10274,[C:1]([C:2]([C:3]([C:4]([C:5]([O:6][C:7]([H:19])([H:20])[H:21])([H:17])[H:18])([H:15])[H:16])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([C:4](=[C:5]([H:17])[H:18])[H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10].[O:6]([C:7]([H:19])([H:20])[H:21])[H:16],"InChI=1S/C6H14O/c1-3-4-5-6-7-2/h3-6H2,1-2H3","InChI=1S/C5H10.CH4O/c1-3-5-4-2;1-2/h3H,1,4-5H2,2H3;2H,1H3",59.67743000000001,12.792910000000001,"1,3_Insertion_ROR"
10275,[C:1]([C:2]([C:3]([C:4]([C:5]([O:6][C:7]([H:19])([H:20])[H:21])([H:17])[H:18])([H:15])[H:16])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]1([H:8])([H:10])[C:2]([H:11])([H:12])[C:3]([H:13])([H:14])[C:4]([H:15])([H:16])[C:5]1([H:17])[H:18].[O:6]([C:7]([H:19])([H:20])[H:21])[H:9],"InChI=1S/C6H14O/c1-3-4-5-6-7-2/h3-6H2,1-2H3","InChI=1S/C5H10.CH4O/c1-2-4-5-3-1;1-2/h1-5H2;2H,1H3",82.27511,1.54701,
10276,[C:1]([C:2]([C:3]([C:4]([C:5]([O:6][C:7]([H:19])([H:20])[H:21])([H:17])[H:18])([H:15])[H:16])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([H:11])([H:12])[H:18])([H:8])([H:9])[H:10].[C:3]1([H:13])([H:14])[C:4]([H:15])([H:16])[C:5]1([O:6][C:7]([H:19])([H:20])[H:21])[H:17],"InChI=1S/C6H14O/c1-3-4-5-6-7-2/h3-6H2,1-2H3","InChI=1S/C4H8O.C2H6/c1-5-4-2-3-4;1-2/h4H,2-3H2,1H3;1-2H3",93.51595,25.17775,
10277,[C:1]([C:2]([C:3]([C:4]([C:5]([O:6][C:7]([H:19])([H:20])[H:21])([H:17])[H:18])([H:15])[H:16])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([C:4]([C:5](=[O+:6][C-:7]([H:19])[H:20])[H:17])([H:15])[H:16])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10].[H:18][H:21],"InChI=1S/C6H14O/c1-3-4-5-6-7-2/h3-6H2,1-2H3","InChI=1S/C6H12O.H2/c1-3-4-5-6-7-2;/h6H,2-5H2,1H3;1H",66.61213000000001,71.91696999999999,
10278,[C:1]([C:2]([C:3]([C:4]([C:5]([O:6][C:7]([H:19])([H:20])[H:21])([H:17])[H:18])([H:15])[H:16])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C-:5](=[O+:6][C:7]([H:19])([H:20])[H:21])[H:17].[C:1]([C:2]([C:3]([C:4]([H:15])([H:16])[H:18])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H14O/c1-3-4-5-6-7-2/h3-6H2,1-2H3","InChI=1S/C4H10.C2H4O/c1-3-4-2;1-3-2/h3-4H2,1-2H3;1H,2H3",72.68387,66.98787,
10279,[C:1]([C:2]([C:3]([C:4]([C:5]([O:6][C:7]([H:19])([H:20])[H:21])([H:17])[H:18])([H:15])[H:16])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](=[C:2]([C:3]([C:4]([C:5]([O:6][C:7]([H:19])([H:20])[H:21])([H:17])[H:18])([H:15])[H:16])([H:13])[H:14])[H:11])([H:8])[H:10].[H:9][H:12],"InChI=1S/C6H14O/c1-3-4-5-6-7-2/h3-6H2,1-2H3","InChI=1S/C6H12O.H2/c1-3-4-5-6-7-2;/h3H,1,4-6H2,2H3;1H",108.29427,30.820390000000003,
10280,[C:1]([C:2]1=[C:3]([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:3]([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]1=[O:7])([H:8])([H:9])[H:10].[H:16][H:17],"InChI=1S/C6H10O/c1-5-3-2-4-6(5)7/h3,6-7H,2,4H2,1H3/t6-/m1/s1","InChI=1S/C6H8O.H2/c1-5-3-2-4-6(5)7;/h3H,2,4H2,1H3;1H",69.73696,7.33977,
10281,[C:1]([C:2]1=[C:3]([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:3]([H:11])[C:4]([H:12])([H:13])[C:5]1([H:14])[H:15])([H:8])([H:9])[H:10].[C:6]([O:7][H:17])[H:16],"InChI=1S/C6H10O/c1-5-3-2-4-6(5)7/h3,6-7H,2,4H2,1H3/t6-/m1/s1","InChI=1S/C5H8.CH2O/c1-5-3-2-4-5;1-2/h3H,2,4H2,1H3;1-2H",130.65219,98.44394,
10282,[C:1]([C:2]1=[C:3]([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1]([C@:2]1([C:3](=[C:4]([H:12])[H:13])[H:11])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-5-3-2-4-6(5)7/h3,6-7H,2,4H2,1H3/t6-/m1/s1","InChI=1S/C6H10O/c1-3-6(2)4-5(6)7/h3,5,7H,1,4H2,2H3/t5-,6+/m1/s1",65.63286,25.661189999999998,
10283,[C:1]([C:2]1=[C:3]([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1](/[C:2]([C:3]1([H:11])[C:4]([H:12])([H:13])[C:5]1([H:14])[H:15])=[C:6](\[O:7][H:17])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-5-3-2-4-6(5)7/h3,6-7H,2,4H2,1H3/t6-/m1/s1","InChI=1S/C6H10O/c1-5(4-7)6-2-3-6/h4,6-7H,2-3H2,1H3/b5-4+",64.82339,19.07616,
10284,[C:1]([C:2]1=[C:3]([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:6]([O:7][H:17])[C:5]([H:14])([H:15])[C:4]([H:12])([H:13])[C:3]1([H:11])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-5-3-2-4-6(5)7/h3,6-7H,2,4H2,1H3/t6-/m1/s1","InChI=1S/C6H10O/c1-5-3-2-4-6(5)7/h7H,2-4H2,1H3",75.24776999999999,-3.5847599999999997,
10285,[C:1]([C:2]1=[C:3]([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]=[C:4]([H:12])[H:13])[C@@:6]([C:5]([H:11])([H:14])[H:15])([O:7][H:17])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-5-3-2-4-6(5)7/h3,6-7H,2,4H2,1H3/t6-/m1/s1","InChI=1S/C6H10O/c1-4-5(2)6(3)7/h6-7H,1H2,2-3H3/t6-/m1/s1",126.20194,22.63135,
10286,[C:1]([C:2]1=[C:3]([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:16])[C-:3]([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C+:6]1[O:7][H:17])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-5-3-2-4-6(5)7/h3,6-7H,2,4H2,1H3/t6-/m1/s1","InChI=1S/C6H10O/c1-5-3-2-4-6(5)7/h3,5,7H,2,4H2,1H3/t5-/m0/s1",76.91065,80.02701,
10287,[C:1]([C:2]1=[C:3]([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1]([C:2]#[C:3][H:11])([H:8])([H:9])[H:10].[C:4]([C:5]([C:6](=[O:7])[H:16])([H:14])[H:15])([H:12])([H:13])[H:17],"InChI=1S/C6H10O/c1-5-3-2-4-6(5)7/h3,6-7H,2,4H2,1H3/t6-/m1/s1","InChI=1S/C3H6O.C3H4/c1-2-3-4;1-3-2/h3H,2H2,1H3;1H,2H3",97.63593,41.06053,
10288,[C:1]([C:2]1=[C:3]([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1](=[C:2]1[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])[H:9],"InChI=1S/C6H10O/c1-5-3-2-4-6(5)7/h3,6-7H,2,4H2,1H3/t6-/m1/s1","InChI=1S/C6H10O/c1-5-3-2-4-6(5)7/h6-7H,1-4H2/t6-/m1/s1",74.83991999999999,4.94381,
10289,[C:1]([C:2]1=[C:3]([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1]([C@:2]12[C:3]([H:11])=[C:4]([H:13])[C:5]([H:14])([H:15])[C@@:6]1([H:16])[O:7]2)([H:8])([H:9])[H:10].[H:12][H:17],"InChI=1S/C6H10O/c1-5-3-2-4-6(5)7/h3,6-7H,2,4H2,1H3/t6-/m1/s1","InChI=1S/C6H8O.H2/c1-6-4-2-3-5(6)7-6;/h2,4-5H,3H2,1H3;1H/t5-,6+;/m1./s1",67.05801,42.09206,
10290,[C:1]([C:2]1=[C:3]([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3][C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-5-3-2-4-6(5)7/h3,6-7H,2,4H2,1H3/t6-/m1/s1","InChI=1S/C6H10O/c1-5-3-2-4-6(5)7/h5-7H,2,4H2,1H3/t5-,6+/m0/s1",71.75746,75.72182,Singlet_Carbene_Intra_Disproportionation
10291,[C:1]([C:2]1=[C:3]([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1](=[C:2]1[C:3]([H:11])=[C:4]([H:12])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])[H:10].[H:9][H:13],"InChI=1S/C6H10O/c1-5-3-2-4-6(5)7/h3,6-7H,2,4H2,1H3/t6-/m1/s1","InChI=1S/C6H8O.H2/c1-5-3-2-4-6(5)7;/h2-3,6-7H,1,4H2;1H/t6-;/m1./s1",74.28696,27.489929999999998,
10292,[C:1]([C:2]1=[C:3]([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:3](/[C:4]([C:5]([H:14])([H:15])[H:16])([H:12])[H:13])[H:11])[C:6][O:7][H:17])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-5-3-2-4-6(5)7/h3,6-7H,2,4H2,1H3/t6-/m1/s1","InChI=1S/C6H10O/c1-3-4-6(2)5-7/h4,7H,3H2,1-2H3/b6-4-",66.7212,59.417840000000005,
10293,[C:1]([C:2]1=[C:3]([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:3](/[C:4]([H:12])([H:13])[H:14])[H:11])[C@@:6]([C:5][H:15])([O:7][H:17])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-5-3-2-4-6(5)7/h3,6-7H,2,4H2,1H3/t6-/m1/s1","InChI=1S/C6H10O/c1-4-5(2)6(3)7/h3-4,6-7H,1-2H3/b5-4-/t6-/m1/s1",97.31985999999999,95.43048,
10294,[C:1]([C:2]1=[C:3]([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:14])[C-:3]([H:11])[C:4]([H:12])([H:13])[C+:5]([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-5-3-2-4-6(5)7/h3,6-7H,2,4H2,1H3/t6-/m1/s1","InChI=1S/C6H10O/c1-5-3-2-4-6(5)7/h3-7H,2H2,1H3/t5-,6+/m0/s1",78.80584,83.62136,
10295,[C:1]([C:2]1=[C:3]([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:3]=[C:4]([H:12])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10].[H:11][H:13],"InChI=1S/C6H10O/c1-5-3-2-4-6(5)7/h3,6-7H,2,4H2,1H3/t6-/m1/s1","InChI=1S/C6H8O.H2/c1-5-3-2-4-6(5)7;/h2,6-7H,4H2,1H3;1H/t6-;/m1./s1",96.471,84.63925,
10296,[C:1]([C:2]1=[C:3]([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:3](\[C:4]([C:5]([C:6](=[O:7])[H:16])([H:14])[H:15])([H:12])[H:13])[H:11])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-5-3-2-4-6(5)7/h3,6-7H,2,4H2,1H3/t6-/m1/s1","InChI=1S/C6H10O/c1-2-3-4-5-6-7/h2-3,6H,4-5H2,1H3/b3-2-",65.87509,8.31963,
10297,[C:1]([C:2]1=[C:3]([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:6]([O:7][H:17])[C:5]([H:14])([H:15])[C:4]([H:12])=[C:3]1[H:11])([H:8])([H:9])[H:10].[H:13][H:16],"InChI=1S/C6H10O/c1-5-3-2-4-6(5)7/h3,6-7H,2,4H2,1H3/t6-/m1/s1","InChI=1S/C6H8O.H2/c1-5-3-2-4-6(5)7;/h2-3,7H,4H2,1H3;1H",49.11455,20.731360000000002,
10298,[C:1]([C:2]1=[C:3]([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:13])[C:3]([H:11])=[C:4]([H:12])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-5-3-2-4-6(5)7/h3,6-7H,2,4H2,1H3/t6-/m1/s1","InChI=1S/C6H10O/c1-5-3-2-4-6(5)7/h2-3,5-7H,4H2,1H3/t5-,6+/m0/s1",73.5156,3.37296,
10299,[C:1]([C:2]1=[C:3]([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:3]([H:11])[C:4]([H:12])([H:13])[C@@:5]1([C:6](=[O:7])[H:16])[H:15])([H:8])([H:9])[H:10].[H:14][H:17],"InChI=1S/C6H10O/c1-5-3-2-4-6(5)7/h3,6-7H,2,4H2,1H3/t6-/m1/s1","InChI=1S/C6H8O.H2/c1-5-2-3-6(5)4-7;/h2,4,6H,3H2,1H3;1H/t6-;/m1./s1",91.64669,42.25339,
10300,[C:1]([C:2]1=[C:3]([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1](=[C:2]1[C@@:3]2([H:11])[C:4]([H:12])([H:13])[C@@:5]2([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])[H:9].[H:10][H:14],"InChI=1S/C6H10O/c1-5-3-2-4-6(5)7/h3,6-7H,2,4H2,1H3/t6-/m1/s1","InChI=1S/C6H8O.H2/c1-3-4-2-5(4)6(3)7;/h4-7H,1-2H2;1H/t4-,5-,6+;/m1./s1",100.53775999999999,59.02785,
10301,[C:1]([C:2]1=[C:3]([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:3](/[C:4]([O:7][H:17])([H:12])[H:13])[H:11])[C:6](=[C:5]([H:14])[H:15])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-5-3-2-4-6(5)7/h3,6-7H,2,4H2,1H3/t6-/m1/s1","InChI=1S/C6H10O/c1-3-6(2)4-5-7/h3-4,7H,1,5H2,2H3/b6-4-",90.37352,18.65257,
10302,[C:1]([C:2]1=[C:3]([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:6]([H:16])[C:5]([H:14])([H:15])[C:4]([H:13])=[C:3]1[H:11])([H:8])([H:9])[H:10].[O:7]([H:12])[H:17],"InChI=1S/C6H10O/c1-5-3-2-4-6(5)7/h3,6-7H,2,4H2,1H3/t6-/m1/s1","InChI=1S/C6H8.H2O/c1-6-4-2-3-5-6;/h2,4-5H,3H2,1H3;1H2",52.38283,8.499,"1,3_Insertion_ROR"
10303,[C:1]([C:2]1=[C:3]([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1]([C+:2]1[C:3]([H:11])=[C-:4][C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10].[H:12][H:13],"InChI=1S/C6H10O/c1-5-3-2-4-6(5)7/h3,6-7H,2,4H2,1H3/t6-/m1/s1","InChI=1S/C6H8O.H2/c1-5-3-2-4-6(5)7;/h3,6-7H,4H2,1H3;1H/t6-;/m1./s1",82.33926,90.18684,
10304,[C:1]([C:2]1=[C:3]([H:11])/[C:4](=[N:5]/[H:12])[O:6][C:7]1([H:13])[H:14])([H:8])([H:9])[H:10],[C:1]([c:2]1[c:3]([H:11])[c:4]([N:5]([H:12])[H:13])[o:6][c:7]1[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-5(6)7-3-4/h2,6H,3H2,1H3/b6-5-","InChI=1S/C5H7NO/c1-4-2-5(6)7-3-4/h2-3H,6H2,1H3",86.49824,1.09521,
10305,[C:1]([C:2]1=[C:3]([H:11])/[C:4](=[N:5]/[H:12])[O:6][C:7]1([H:13])[H:14])([H:8])([H:9])[H:10],[C:1]([C@:2]1([H:11])[C:3]/[C:4](=[N:5]/[H:12])[O:6][C:7]1([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-5(6)7-3-4/h2,6H,3H2,1H3/b6-5-","InChI=1S/C5H7NO/c1-4-2-5(6)7-3-4/h4,6H,3H2,1H3/b6-5-/t4-/m1/s1",77.63320999999999,84.26649,Singlet_Carbene_Intra_Disproportionation
10306,[C:1]([C:2]1=[C:3]([H:11])/[C:4](=[N:5]/[H:12])[O:6][C:7]1([H:13])[H:14])([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:3](/[C:4]#[N:5])[H:11])[C:7]([O:6][H:12])([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-5(6)7-3-4/h2,6H,3H2,1H3/b6-5-","InChI=1S/C5H7NO/c1-5(4-7)2-3-6/h2,7H,4H2,1H3/b5-2-",62.413830000000004,8.98091,
10307,[C:1]([C:2]1=[C:3]([H:11])/[C:4](=[N:5]/[H:12])[O:6][C:7]1([H:13])[H:14])([H:8])([H:9])[H:10],[C:1]([C@@:3]1([H:11])[C:2][C:7]([H:13])([H:14])[O:6]/[C:4]1=[N:5]\[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-5(6)7-3-4/h2,6H,3H2,1H3/b6-5-","InChI=1S/C5H7NO/c1-4-2-3-7-5(4)6/h4,6H,3H2,1H3/b6-5-/t4-/m0/s1",81.09854,78.4239,
10308,[C:1]([C:2]1=[C:3]([H:11])/[C:4](=[N:5]/[H:12])[O:6][C:7]1([H:13])[H:14])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:3]1([H:11])/[C:4](=[N:5]/[H:12])[O:6]1)=[C:7]([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-5(6)7-3-4/h2,6H,3H2,1H3/b6-5-","InChI=1S/C5H7NO/c1-3(2)4-5(6)7-4/h4,6H,1H2,2H3/b6-5-/t4-/m0/s1",64.74735,34.66917,
10309,[C:1]([C:2]1=[C:3]([H:11])/[C:4](=[N:5]/[H:12])[O:6][C:7]1([H:13])[H:14])([H:8])([H:9])[H:10],[C:1]([C@:2]1([C:3](=[C:4]=[N:5][H:12])[H:11])[O:6][C:7]1([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-5(6)7-3-4/h2,6H,3H2,1H3/b6-5-","InChI=1S/C5H7NO/c1-5(2-3-6)4-7-5/h2,6H,4H2,1H3/t5-/m1/s1",67.05414,41.980270000000004,
10310,[C:1]([C:2]1=[C:3]([H:11])/[C:4](=[N:5]/[H:12])[O:6][C:7]1([H:13])[H:14])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:3]([H:11])[N:5]=[C:4]([H:12])[O:6][C:7]1([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-5(6)7-3-4/h2,6H,3H2,1H3/b6-5-","InChI=1S/C5H7NO/c1-5-2-6-4-7-3-5/h2,4H,3H2,1H3",135.6396,11.03016,
10311,[C:1]([C:2]1=[C:3]([H:11])/[C:4](=[N:5]/[H:12])[O:6][C:7]1([H:13])[H:14])([H:8])([H:9])[H:10],[C:1]([C:7]([C:2]1=[C:3]([H:11])/[C:4](=[N:5]/[H:12])[O:6]1)([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-5(6)7-3-4/h2,6H,3H2,1H3/b6-5-","InChI=1S/C5H7NO/c1-2-4-3-5(6)7-4/h3,6H,2H2,1H3/b6-5-",96.5949,28.33615,
10312,[C:1]([C:2]1=[C:3]([H:11])/[C:4](=[N:5]/[H:12])[O:6][C:7]1([H:13])[H:14])([H:8])([H:9])[H:10],[C:1]([C:2](/[C:3](=[C:4]1/[N:5]([H:12])[O:6]1)[H:11])=[C:7]([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-5(6)7-3-4/h2,6H,3H2,1H3/b6-5-","InChI=1S/C5H7NO/c1-4(2)3-5-6-7-5/h3,6H,1H2,2H3/b5-3-",75.09912,75.08792,
10313,[C:1]([C:2]1=[C:3]([H:11])/[C:4](=[N:5]/[H:12])[O:6][C:7]1([H:13])[H:14])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:7]([H:14])[O:6]/[C:4](=[N:5]\[H:12])[C:3]1([H:11])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-5(6)7-3-4/h2,6H,3H2,1H3/b6-5-","InChI=1S/C5H7NO/c1-4-2-5(6)7-3-4/h3,6H,2H2,1H3/b6-5-",61.90608,3.42836,
10314,[C:1]([C:2]1=[C:3]([H:11])/[C:4](=[N:5]/[H:12])[O:6][C:7]1([H:13])[H:14])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:3]([H:11])[C:7]1([H:13])[H:14])([H:8])([H:9])[H:10].[C:4](=[N:5][H:12])=[O:6],"InChI=1S/C5H7NO/c1-4-2-5(6)7-3-4/h2,6H,3H2,1H3/b6-5-","InChI=1S/C4H6.CHNO/c1-4-2-3-4;2-1-3/h2H,3H2,1H3;2H",67.02979,41.62625,
10315,[C:1]([C:2]1=[C:3]([H:11])/[C:4](=[N:5]/[H:12])[O:6][C:7]1([H:13])[H:14])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3])[C:7]([O:6]/[C:4](=[N:5]\[H:12])[H:11])([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-5(6)7-3-4/h2,6H,3H2,1H3/b6-5-","InChI=1S/C5H7NO/c1-5(2)3-7-4-6/h4,6H,3H2,1H3/b6-4-",87.77058000000001,94.65988,
10316,[C:1]([C:2]1=[C:3]([H:11])/[C:4](=[N:5]/[H:12])[O:6][C:7]1([H:13])[H:14])([H:8])([H:9])[H:10],[C:1]([C@@:2]([C:3](=[C:4]=[N:5][H:12])[H:11])([C:7](=[O:6])[H:14])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-5(6)7-3-4/h2,6H,3H2,1H3/b6-5-","InChI=1S/C5H7NO/c1-5(4-7)2-3-6/h2,4-6H,1H3/t5-/m0/s1",54.71621,23.268829999999998,
10317,[C:1]([C:2]1=[C:3]([H:11])/[C:4](=[N:5]/[H:12])[O:6][C:7]1([H:13])[H:14])([H:8])([H:9])[H:10],[C:1]([C:7]([C:2]#[C:3][H:11])([H:13])[H:14])([H:8])([H:9])[H:10].[C:4](=[N:5][H:12])=[O:6],"InChI=1S/C5H7NO/c1-4-2-5(6)7-3-4/h2,6H,3H2,1H3/b6-5-","InChI=1S/C4H6.CHNO/c1-3-4-2;2-1-3/h1H,4H2,2H3;2H",96.5995,28.243479999999998,
10318,[C:1]([C:2]1=[C:3]([H:11])/[C:4](=[N:5]/[H:12])[O:6][C:7]1([H:13])[H:14])([H:8])([H:9])[H:10],[C:1](=[C:2]1[C:3]([H:11])=[C:4]([N:5]([H:10])[H:12])[O:6][C:7]1([H:13])[H:14])([H:8])[H:9],"InChI=1S/C5H7NO/c1-4-2-5(6)7-3-4/h2,6H,3H2,1H3/b6-5-","InChI=1S/C5H7NO/c1-4-2-5(6)7-3-4/h2H,1,3,6H2",92.73121,10.282860000000001,
10319,[C:1]([C:2]1=[C:3]([H:11])/[C:4](=[N:5]/[H:12])[O:6][C:7]1([H:13])[H:14])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:3]([H:11])[N:5]([H:12])[C-:4]=[O+:6][C:7]1([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-5(6)7-3-4/h2,6H,3H2,1H3/b6-5-","InChI=1S/C5H7NO/c1-5-2-6-4-7-3-5/h2,6H,3H2,1H3",87.5059,43.0346,
10320,[C:1]([C:2]1=[C:3]([H:11])/[C:4](=[N:5]/[H:12])[O:6][C:7]1([H:13])[H:14])([H:8])([H:9])[H:10],[C:1](=[C:2]1[C:3]([H:10])([H:11])/[C:4](=[N:5]/[H:12])[O:6][C:7]1([H:13])[H:14])([H:8])[H:9],"InChI=1S/C5H7NO/c1-4-2-5(6)7-3-4/h2,6H,3H2,1H3/b6-5-","InChI=1S/C5H7NO/c1-4-2-5(6)7-3-4/h6H,1-3H2/b6-5-",71.11018,8.73167,
10321,[C:1]([C:2]1=[C:3]([H:11])/[C:4](=[N:5]/[H:12])[O:6][C:7]1([H:13])[H:14])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:3]=[C:4]([N:5]([H:11])[H:12])[O:6][C:7]1([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-5(6)7-3-4/h2,6H,3H2,1H3/b6-5-","InChI=1S/C5H7NO/c1-4-2-5(6)7-3-4/h3,6H2,1H3",69.08886,42.54677,
10322,[C:1]([C:2]1=[C:3]([H:11])/[C:4](=[N:5]/[H:12])[O:6][C:7]1([H:13])[H:14])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3](=[C:4]=[N:5][H:12])[H:11])=[C:7]([O:6][H:14])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-5(6)7-3-4/h2,6H,3H2,1H3/b6-5-","InChI=1S/C5H7NO/c1-5(4-7)2-3-6/h2,4,6-7H,1H3",71.96274,21.36973,
10323,[C:1]([C:2]1=[C:3]([H:11])/[C:4](=[N:5]/[H:12])[O:6][C:7]1([H:13])[H:14])([H:8])([H:9])[H:10],[C:1]([C:2]([C@:3]1([H:11])[C:4](=[O:6])[N:5]1[H:12])=[C:7]([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-5(6)7-3-4/h2,6H,3H2,1H3/b6-5-","InChI=1S/C5H7NO/c1-3(2)4-5(7)6-4/h4H,1H2,2H3,(H,6,7)/t4-/m1/s1",48.03988,32.04002,
10324,[C:1]([C:2]1=[C:3]([H:11])/[C:4](=[N:5]/[H:12])[O:6][C:7]1([H:13])[H:14])([H:8])([H:9])[H:10],[C:1]([C@@:2]12[C@@:3]([H:11])([C-:4]=[O+:6][C:7]1([H:13])[H:14])[N:5]2[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-5(6)7-3-4/h2,6H,3H2,1H3/b6-5-","InChI=1S/C5H7NO/c1-5-3-7-2-4(5)6-5/h4,6H,3H2,1H3/t4-,5+/m1/s1",106.35546000000001,79.31283,
10325,[C:1]([C:2]1=[C:3]([H:11])/[C:4](=[N:5]/[H:12])[O:6][C:7]1([H:13])[H:14])([H:8])([H:9])[H:10],[C:1](/[C:3](=[C:2]1[C:4](=[N:5]/[H:12])/[O:6][C:7]/1([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-5(6)7-3-4/h2,6H,3H2,1H3/b6-5-","InChI=1S/C5H7NO/c1-2-4-3-7-5(4)6/h2,6H,3H2,1H3/b4-2+,6-5-",150.30514,21.084570000000003,
10326,[C:1]([C:2]1=[C:3]([H:11])/[C:4](=[N:5]/[H:12])[O:6][C:7]1([H:13])[H:14])([H:8])([H:9])[H:10],[C:1]([C:2]#[C:3][H:11])([H:8])([H:9])[H:10].[C:4]=[N:5][H:12].[O:6]=[C:7]([H:13])[H:14],"InChI=1S/C5H7NO/c1-4-2-5(6)7-3-4/h2,6H,3H2,1H3/b6-5-","InChI=1S/C3H4.CHN.CH2O/c1-3-2;2*1-2/h1H,2H3;2H;1H2",102.77953000000001,92.45149,
10327,[C:1]([C:2]1=[C:3]([H:11])/[C:4](=[N:5]/[H:12])[O:6][C:7]1([H:13])[H:14])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:7]=[O+:6][C:4]([N-:5][H:12])=[C:3]1[H:11])([H:8])([H:9])[H:10].[H:13][H:14],"InChI=1S/C5H7NO/c1-4-2-5(6)7-3-4/h2,6H,3H2,1H3/b6-5-","InChI=1S/C5H5NO.H2/c1-4-2-5(6)7-3-4;/h2,6H,1H3;1H",75.14316,72.32181,
10328,[O:1]=[C:2]([n:3]1[c:4]([H:9])[n:5][c:6]([H:10])[n:7]1)[H:8],[O:1]=[C:2]([N:3]([N:7]=[C:6]([N+:5]#[C-:4])[H:10])[H:9])[H:8],InChI=1S/C3H3N3O/c7-3-6-2-4-1-5-6/h1-3H,"InChI=1S/C3H3N3O/c1-4-2-5-6-3-7/h2-3H,(H,6,7)",62.59134,38.49053,
10329,[O:1]=[C:2]([n:3]1[c:4]([H:9])[n:5][c:6]([H:10])[n:7]1)[H:8],[O+:1]#[C-:2].[n:3]1[c:4]([H:9])[n:5][c:6]([H:10])[n:7]1[H:8],InChI=1S/C3H3N3O/c7-3-6-2-4-1-5-6/h1-3H,"InChI=1S/C2H3N3.CO/c1-3-2-5-4-1;1-2/h1-2H,(H,3,4,5);",40.80174,3.7578099999999997,"1,2_Insertion_CO"
10330,[O:1]=[C:2]([n:3]1[c:4]([H:9])[n:5][c:6]([H:10])[n:7]1)[H:8],[O:1]1[C@:2]2([H:8])[N:3]3[C@:4]2([H:9])[N:5]2[C@:6]1([H:10])[N:7]32,InChI=1S/C3H3N3O/c7-3-6-2-4-1-5-6/h1-3H,"InChI=1S/C3H3N3O/c7-2-1-4(2)6-3(7)5(1)6/h1-3H/t1-,2+,3-,4?,5?,6?/m1/s1",133.6558,115.41434,
10331,[O:1]=[C:2]([n:3]1[c:4]([H:9])[n:5][c:6]([H:10])[n:7]1)[H:8],[O:1]=[C:2]([N+:3]([C@:4]1([H:9])[N:5]=[C:6]1[H:10])=[N-:7])[H:8],InChI=1S/C3H3N3O/c7-3-6-2-4-1-5-6/h1-3H,InChI=1S/C3H3N3O/c4-6(2-7)3-1-5-3/h1-3H/t3-/m0/s1,128.31526000000002,99.5312,
10332,[O:1]=[C:2]([n:3]1[c:4]([H:9])[n:5][c:6]([H:10])[n:7]1)[H:8],[O:1]=[C:2]([C@:4]1([H:9])[N:3]=[N:7][C:6]([H:10])=[N:5]1)[H:8],InChI=1S/C3H3N3O/c7-3-6-2-4-1-5-6/h1-3H,InChI=1S/C3H3N3O/c7-1-3-4-2-5-6-3/h1-3H/t3-/m0/s1,44.75568,38.46637,
10333,[O:1]=[C:2]([n:3]1[c:4]([H:9])[n:5][c:6]([H:10])[n:7]1)[H:8],[O:1]=[C:2]([N:3]=[C:4]([N:5]=[C:6]=[N:7][H:10])[H:9])[H:8],InChI=1S/C3H3N3O/c7-3-6-2-4-1-5-6/h1-3H,InChI=1S/C3H3N3O/c4-1-5-2-6-3-7/h2-4H,73.01333000000001,7.1947600000000005,
10334,[O:1]=[C:2]([n:3]1[c:4]([H:9])[n:5][c:6]([H:10])[n:7]1)[H:8],[O:1]=[C:2]([N:3]1[C@:4]2([H:9])[N:5]=[C:6]([H:10])[N:7]12)[H:8],InChI=1S/C3H3N3O/c7-3-6-2-4-1-5-6/h1-3H,"InChI=1S/C3H3N3O/c7-2-6-3-4-1-5(3)6/h1-3H/t3-,5?,6?/m1/s1",98.63179000000001,88.84062,
10335,[O:1]=[C:2]([n:3]1[c:4]([H:9])[n:5][c:6]([H:10])[n:7]1)[H:8],[O:1]1[C:2]([H:8])=[N:3][C:4]([H:9])=[N:5][C:6]([H:10])=[N:7]1,InChI=1S/C3H3N3O/c7-3-6-2-4-1-5-6/h1-3H,InChI=1S/C3H3N3O/c1-4-2-6-7-3-5-1/h1-3H,83.08238,50.33943,ketoenol
10336,[O:1]=[C:2]([n:3]1[c:4]([H:9])[n:5][c:6]([H:10])[n:7]1)[H:8],[O:1]=[C:2]([N:3](/[C:4](=[N:5]\[H:10])[H:9])[N+:7]#[C-:6])[H:8],InChI=1S/C3H3N3O/c7-3-6-2-4-1-5-6/h1-3H,InChI=1S/C3H3N3O/c1-5-6(2-4)3-7/h2-4H/b4-2-,77.03126,52.50349,
10337,[O:1]=[C:2]([n:3]1[c:4]([H:9])[n:5][c:6]([H:10])[n:7]1)[H:8],[O:1]=[C:2]([N-:3][N:7]=[C:6]([N+:5]#[C:4][H:9])[H:10])[H:8],InChI=1S/C3H3N3O/c7-3-6-2-4-1-5-6/h1-3H,InChI=1S/C3H3N3O/c1-4-2-5-6-3-7/h1-3H,88.14978,68.00672,
10338,[O:1]=[C:2]([n:3]1[c:4]([H:9])[n:5][c:6]([H:10])[n:7]1)[H:8],[N:3]1=[N:7][C:6]([H:8])([H:10])[N:5]=[C:4]1[H:9].[O+:1]#[C-:2],InChI=1S/C3H3N3O/c7-3-6-2-4-1-5-6/h1-3H,"InChI=1S/C2H3N3.CO/c1-3-2-5-4-1;1-2/h1H,2H2;",40.80125,34.90627,
10339,[O:1]=[C:2]([n:3]1[c:4]([H:9])[n:5][c:6]([H:10])[n:7]1)[H:8],[O-:1][N+:7]([N:3]=[C-:2][H:8])=[C:6]([N+:5]#[C:4][H:9])[H:10],InChI=1S/C3H3N3O/c7-3-6-2-4-1-5-6/h1-3H,InChI=1S/C3H3N3O/c1-4-3-6(7)5-2/h1-3H,162.36333,152.87247,
10340,[O:1]=[C:2]([n:3]1[c:4]([H:9])[n:5][c:6]([H:10])[n:7]1)[H:8],[O+:1](=[C-:2][H:8])/[C:4](=[N:5]\[C-:6]([N+:7]#[N:3])[H:10])[H:9],InChI=1S/C3H3N3O/c7-3-6-2-4-1-5-6/h1-3H,InChI=1S/C3H3N3O/c1-7-3-5-2-6-4/h1-3H/b5-3-,129.72052,109.71468999999999,
10341,[O:1]=[C:2]([n:3]1[c:4]([H:9])[n:5][c:6]([H:10])[n:7]1)[H:8],[O:1][C:2](=[N:3][C:4](=[N:5][C:6](=[N:7])[H:10])[H:9])[H:8],InChI=1S/C3H3N3O/c7-3-6-2-4-1-5-6/h1-3H,InChI=1S/C3H3N3O/c4-1-5-2-6-3-7/h1-3H,74.55809,68.53941999999999,
10342,[O:1]=[C:2]([n:3]1[c:4]([H:9])[n:5][c:6]([H:10])[n:7]1)[H:8],[C:4](#[N:5])[H:9].[O:1]=[C:2]([N-:3][N+:7]#[C:6][H:10])[H:8],InChI=1S/C3H3N3O/c7-3-6-2-4-1-5-6/h1-3H,InChI=1S/C2H2N2O.CHN/c1-3-4-2-5;1-2/h1-2H;1H,69.38905,66.41729000000001,
10343,[O:1]=[C:2]([n:3]1[c:4]([H:9])[n:5][c:6]([H:10])[n:7]1)[H:8],[O+:1]#[C-:2].[n:3]1[c:4]([H:9])[n:5]([H:8])[c:6]([H:10])[n:7]1,InChI=1S/C3H3N3O/c7-3-6-2-4-1-5-6/h1-3H,"InChI=1S/C2H3N3.CO/c1-3-2-5-4-1;1-2/h1-2H,(H,3,4,5);",60.08325,9.98932,
10344,[O:1]=[C:2]([n:3]1[c:4]([H:9])[n:5][c:6]([H:10])[n:7]1)[H:8],[O:1]=[C:4](/[N:5]=[C:6](\[N-:7][N+:3]#[C:2][H:8])[H:10])[H:9],InChI=1S/C3H3N3O/c7-3-6-2-4-1-5-6/h1-3H,InChI=1S/C3H3N3O/c1-4-6-2-5-3-7/h1-3H/b5-2-,81.6618,54.75048,
10345,[C:1]([c:2]1[n:3][n:4]([H:11])[c:5](=[O:6])[n:7]1[H:12])([H:8])([H:9])[H:10],[C:1](/[C:2]([C:5]([N+:4](=[N-:3])[H:11])=[O:6])=[N:7]\[H:12])([H:8])([H:9])[H:10],"InChI=1S/C3H5N3O/c1-2-4-3(7)6-5-2/h1H3,(H2,4,5,6,7)","InChI=1S/C3H5N3O/c1-2(4)3(7)6-5/h4,6H,1H3/b4-2+",96.67873,76.15054,
10346,[C:1]([c:2]1[n:3][n:4]([H:11])[c:5](=[O:6])[n:7]1[H:12])([H:8])([H:9])[H:10],[C-:5]#[O+:6].[C:1]([C:2](/[N:3]=[N:4]/[H:11])=[N:7]\[H:12])([H:8])([H:9])[H:10],"InChI=1S/C3H5N3O/c1-2-4-3(7)6-5-2/h1H3,(H2,4,5,6,7)","InChI=1S/C2H5N3.CO/c1-2(3)5-4;1-2/h3-4H,1H3;/b3-2+,5-4+;",66.17367,58.999719999999996,
10347,[C:1]([c:2]1[n:3][n:4]([H:11])[c:5](=[O:6])[n:7]1[H:12])([H:8])([H:9])[H:10],[C:1]([c:2]1[n:3][n:4]([H:11])[c:5]([O:6][H:12])[n:7]1)([H:8])([H:9])[H:10],"InChI=1S/C3H5N3O/c1-2-4-3(7)6-5-2/h1H3,(H2,4,5,6,7)","InChI=1S/C3H5N3O/c1-2-4-3(7)6-5-2/h1H3,(H2,4,5,6,7)",48.677659999999996,7.18924,ketoenol
10348,[C:1]([c:2]1[n:3][n:4]([H:11])[c:5](=[O:6])[n:7]1[H:12])([H:8])([H:9])[H:10],[C:1]([N:3]=[C:2]=[N:7][H:12])([H:8])([H:9])[H:10].[N:4](=[C:5]=[O:6])[H:11],"InChI=1S/C3H5N3O/c1-2-4-3(7)6-5-2/h1H3,(H2,4,5,6,7)","InChI=1S/C2H4N2.CHNO/c1-4-2-3;2-1-3/h3H,1H3;2H",80.51857,17.99784,
10349,[C:1]([c:2]1[n:3][n:4]([H:11])[c:5](=[O:6])[n:7]1[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]#[N+:3][N-:4][H:11])([H:8])([H:9])[H:10].[C:5](=[O:6])=[N:7][H:12],"InChI=1S/C3H5N3O/c1-2-4-3(7)6-5-2/h1H3,(H2,4,5,6,7)","InChI=1S/C2H4N2.CHNO/c1-2-4-3;2-1-3/h3H,1H3;2H",69.99079,58.638819999999996,
10350,[C:1]([c:2]1[n:3][n:4]([H:11])[c:5](=[O:6])[n:7]1[H:12])([H:8])([H:9])[H:10],[C:1]([c:2]1[n:3][n:4][c:5]([O:6][H:11])[n:7]1[H:12])([H:8])([H:9])[H:10],"InChI=1S/C3H5N3O/c1-2-4-3(7)6-5-2/h1H3,(H2,4,5,6,7)","InChI=1S/C3H5N3O/c1-2-4-3(7)6-5-2/h1H3,(H2,4,5,6,7)",53.8747,13.64899,ketoenol
10351,[C:1]([c:2]1[n:3][n:4]([H:11])[c:5](=[O:6])[n:7]1[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]#[N:3])([H:8])([H:9])[H:10].[N:4]1([H:11])/[C:5](=[N:7]/[H:12])[O:6]1,"InChI=1S/C3H5N3O/c1-2-4-3(7)6-5-2/h1H3,(H2,4,5,6,7)","InChI=1S/C2H3N.CH2N2O/c1-2-3;2-1-3-4-1/h1H3;(H2,2,3)",86.48684,82.92174,
10352,[C:1]([c:2]1[n:3][n:4]([H:11])[c:5](=[O:6])[n:7]1[H:12])([H:8])([H:9])[H:10],[C:1](=[C:2](/[N:3]=[N:4]/[H:11])[N:7]([C:5](=[O:6])[H:8])[H:12])([H:9])[H:10],"InChI=1S/C3H5N3O/c1-2-4-3(7)6-5-2/h1H3,(H2,4,5,6,7)","InChI=1S/C3H5N3O/c1-3(6-4)5-2-7/h2,4H,1H2,(H,5,7)/b6-4+",105.70501999999999,50.30055,
10353,[C:1]([c:2]1[n:3][n:4]([H:11])[c:5](=[O:6])[n:7]1[H:12])([H:8])([H:9])[H:10],[C:1](=[C:2]1[N:3]([H:8])[N:4]([H:11])[C:5](=[O:6])[N:7]1[H:12])([H:9])[H:10],"InChI=1S/C3H5N3O/c1-2-4-3(7)6-5-2/h1H3,(H2,4,5,6,7)","InChI=1S/C3H5N3O/c1-2-4-3(7)6-5-2/h5H,1H2,(H2,4,6,7)",72.85685,24.23723,
10354,[C:1]([c:2]1[n:3][n:4]([H:11])[c:5](=[O:6])[n:7]1[H:12])([H:8])([H:9])[H:10],[C:1](=[C:2]1[N-:3][N:4]([H:11])[C+:5]([O:6][H:8])[N:7]1[H:12])([H:9])[H:10],"InChI=1S/C3H5N3O/c1-2-4-3(7)6-5-2/h1H3,(H2,4,5,6,7)","InChI=1S/C3H5N3O/c1-2-4-3(7)6-5-2/h4,6-7H,1H2",120.64622,63.164390000000004,
10355,[C:1]([c:2]1[n:3][n:4]([H:11])[c:5](=[O:6])[n:7]1[H:12])([H:8])([H:9])[H:10],[C:1]([c:2]1[n:3]([H:11])[n:4][c:5]([O-:6])[n+:7]1[H:12])([H:8])([H:9])[H:10],"InChI=1S/C3H5N3O/c1-2-4-3(7)6-5-2/h1H3,(H2,4,5,6,7)","InChI=1S/C3H5N3O/c1-2-4-3(7)6-5-2/h1H3,(H2,4,5,6,7)",56.68081,16.801560000000002,
10356,[C:1]([c:2]1[n:3][n:4]([H:11])[c:5](=[O:6])[n:7]1[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]1=[N:7][C:5](=[O:6])[N:4]=[N:3]1)([H:8])([H:9])[H:10].[H:11][H:12],"InChI=1S/C3H5N3O/c1-2-4-3(7)6-5-2/h1H3,(H2,4,5,6,7)",InChI=1S/C3H3N3O.H2/c1-2-4-3(7)6-5-2;/h1H3;1H,101.89322,63.45196,
10357,[C:1]([c:2]1[n:3][n:4]([H:11])[c:5](=[O:6])[n:7]1[H:12])([H:8])([H:9])[H:10],[C:1]([C:2](/[N:3]=[N:4]/[H:11])=[N:7]/[C:5](=[O:6])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C3H5N3O/c1-2-4-3(7)6-5-2/h1H3,(H2,4,5,6,7)","InChI=1S/C3H5N3O/c1-3(6-4)5-2-7/h2,4H,1H3/b5-3-,6-4+",71.43884,54.98529,
10358,[C:1]([c:2]1[n:3][n:4]([H:11])[c:5](=[O:6])[n:7]1[H:12])([H:8])([H:9])[H:10],[C:1](=[C:2]1[N-:3][N+:4]([H:8])([H:11])[C:5](=[O:6])[N:7]1[H:12])([H:9])[H:10],"InChI=1S/C3H5N3O/c1-2-4-3(7)6-5-2/h1H3,(H2,4,5,6,7)","InChI=1S/C3H5N3O/c1-2-4-3(7)6-5-2/h1,6H2,(H,4,7)",103.03647,57.56581,
10359,[C:1]([c:2]1[n:3][n:4]([H:11])[c:5](=[O:6])[n:7]1[H:12])([H:8])([H:9])[H:10],[C:1]([C:2](/[N:3]=[N:4]\[C:5](=[O:6])[H:11])=[N:7]\[H:12])([H:8])([H:9])[H:10],"InChI=1S/C3H5N3O/c1-2-4-3(7)6-5-2/h1H3,(H2,4,5,6,7)","InChI=1S/C3H5N3O/c1-3(4)6-5-2-7/h2,4H,1H3/b4-3+,6-5-",68.10578000000001,59.5065,
10360,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4]([H:14])([H:15])[H:16])[C:5]1([H:17])[C:6]([H:18])([H:19])[C:7]1([H:20])[H:21])([H:8])([H:9])[H:10],[C:1]([C:2]([C:4]([H:14])([H:15])[H:16])=[C:5]([C:7]([C:6]([C:3]([H:11])([H:12])[H:13])([H:18])[H:19])([H:20])[H:21])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C7H14/c1-7(2,3)6-4-5-6/h6H,4-5H2,1-3H3","InChI=1S/C7H14/c1-4-5-6-7(2)3/h6H,4-5H2,1-3H3",89.38794,-10.05269,
10361,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4]([H:14])([H:15])[H:16])[C:5]1([H:17])[C:6]([H:18])([H:19])[C:7]1([H:20])[H:21])([H:8])([H:9])[H:10],[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[C@:5]([C:7]([C:4]([H:14])([H:15])[H:16])([H:20])[H:21])([H:17])[C:6]1([H:18])[H:19])([H:8])([H:9])[H:10],"InChI=1S/C7H14/c1-7(2,3)6-4-5-6/h6H,4-5H2,1-3H3","InChI=1S/C7H14/c1-4-6-5-7(6,2)3/h6H,4-5H2,1-3H3/t6-/m0/s1",104.41125,-1.80972,
10362,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4]([H:14])([H:15])[H:16])[C:5]1([H:17])[C:6]([H:18])([H:19])[C:7]1([H:20])[H:21])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4]([H:14])([H:15])[H:16])[C:5]1=[C:6]([H:18])[C:7]1([H:20])[H:21])([H:8])([H:9])[H:10].[H:17][H:19],"InChI=1S/C7H14/c1-7(2,3)6-4-5-6/h6H,4-5H2,1-3H3","InChI=1S/C7H12.H2/c1-7(2,3)6-4-5-6;/h4H,5H2,1-3H3;1H",115.11907,48.751540000000006,
10363,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4]([H:14])([H:15])[H:16])[C:5]1([H:17])[C:6]([H:18])([H:19])[C:7]1([H:20])[H:21])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4]([H:14])([H:15])[H:16])[C:5][C:7]([C:6]([H:17])([H:18])[H:19])([H:20])[H:21])([H:8])([H:9])[H:10],"InChI=1S/C7H14/c1-7(2,3)6-4-5-6/h6H,4-5H2,1-3H3","InChI=1S/C7H14/c1-5-6-7(2,3)4/h5H2,1-4H3",67.38299,68.7893,
10364,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4]([H:14])([H:15])[H:16])[C:5]1([H:17])[C:6]([H:18])([H:19])[C:7]1([H:20])[H:21])([H:8])([H:9])[H:10],[C:1]([C:2][C:5]1([H:17])[C:6]([H:18])([H:19])[C:7]1([H:20])[H:21])([H:8])([H:9])[H:10].[C:3]([C:4]([H:14])([H:15])[H:16])([H:11])([H:12])[H:13],"InChI=1S/C7H14/c1-7(2,3)6-4-5-6/h6H,4-5H2,1-3H3","InChI=1S/C5H8.C2H6/c1-2-5-3-4-5;1-2/h5H,3-4H2,1H3;1-2H3",130.11469,84.14735999999999,
10365,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4]([H:14])([H:15])[H:16])[C:5]1([H:17])[C:6]([H:18])([H:19])[C:7]1([H:20])[H:21])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])=[C:4]([H:15])[H:16])([H:8])([H:9])[H:10].[C:5](=[C:6]([H:18])[H:19])([C:7]([H:14])([H:20])[H:21])[H:17],"InChI=1S/C7H14/c1-7(2,3)6-4-5-6/h6H,4-5H2,1-3H3","InChI=1S/C4H8.C3H6/c1-4(2)3;1-3-2/h1H2,2-3H3;3H,1H2,2H3",66.62893000000001,10.92831,
10366,[C:1]([C:2]1=[C:3]([H:11])[N:4]([H:12])[C:5](=[O:6])[C:7]1([H:13])[H:14])([H:8])([H:9])[H:10],[C:1]([C@:2]1([H:13])[C:3]([H:11])=[N+:4]([H:12])[C:5]([O-:6])=[C:7]1[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-5(7)6-3-4/h3H,2H2,1H3,(H,6,7)","InChI=1S/C5H7NO/c1-4-2-5(7)6-3-4/h2-4,7H,1H3/t4-/m0/s1",48.03398,32.209559999999996,
10367,[C:1]([C:2]1=[C:3]([H:11])[N:4]([H:12])[C:5](=[O:6])[C:7]1([H:13])[H:14])([H:8])([H:9])[H:10],[C:1](=[C:2]1[C:3]([H:10])([H:11])[N:4]([H:12])[C:5](=[O:6])[C:7]1([H:13])[H:14])([H:8])[H:9],"InChI=1S/C5H7NO/c1-4-2-5(7)6-3-4/h3H,2H2,1H3,(H,6,7)","InChI=1S/C5H7NO/c1-4-2-5(7)6-3-4/h1-3H2,(H,6,7)",73.19915999999999,5.55623,
10368,[C:1]([C:2]1=[C:3]([H:11])[N:4]([H:12])[C:5](=[O:6])[C:7]1([H:13])[H:14])([H:8])([H:9])[H:10],[C:1]([C:2]([C@:3]1([H:11])[N:4]([H:12])[C:5]1=[O:6])=[C:7]([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-5(7)6-3-4/h3H,2H2,1H3,(H,6,7)","InChI=1S/C5H7NO/c1-3(2)4-5(7)6-4/h4H,1H2,2H3,(H,6,7)/t4-/m0/s1",75.66979,45.323,
10369,[C:1]([C:2]1=[C:3]([H:11])[N:4]([H:12])[C:5](=[O:6])[C:7]1([H:13])[H:14])([H:8])([H:9])[H:10],[C:1]([C:2]#[C:3][H:11])([H:8])([H:9])[H:10].[N:4](=[C:5]1\[O:6][C:7]1([H:13])[H:14])\[H:12],"InChI=1S/C5H7NO/c1-4-2-5(7)6-3-4/h3H,2H2,1H3,(H,6,7)","InChI=1S/C3H4.C2H3NO/c1-3-2;3-2-1-4-2/h1H,2H3;3H,1H2/b;3-2-",104.93526000000001,86.97399,
10370,[C:1]([C:2]1=[C:3]([H:11])[N:4]([H:12])[C:5](=[O:6])[C:7]1([H:13])[H:14])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C-:3][N:4]([H:12])[C+:5]([O:6][H:11])[C:7]1([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-5(7)6-3-4/h3H,2H2,1H3,(H,6,7)","InChI=1S/C5H7NO/c1-4-2-5(7)6-3-4/h6-7H,2H2,1H3",125.17068,74.97046999999999,
10371,[C:1]([C:2]1=[C:3]([H:11])[N:4]([H:12])[C:5](=[O:6])[C:7]1([H:13])[H:14])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:14].[C:2]1=[C:3]([H:11])[N:4]([H:12])[C:5](=[O:6])[C:7]=1[H:13],"InChI=1S/C5H7NO/c1-4-2-5(7)6-3-4/h3H,2H2,1H3,(H,6,7)","InChI=1S/C4H3NO.CH4/c6-4-2-1-3-5-4;/h2-3H,(H,5,6);1H4",100.14672,74.31723000000001,
10372,[C:1]([C:2]1=[C:3]([H:11])[N:4]([H:12])[C:5](=[O:6])[C:7]1([H:13])[H:14])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:3]([H:11])[N:4]=[C:5]([O:6][H:12])[C:7]1([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-5(7)6-3-4/h3H,2H2,1H3,(H,6,7)","InChI=1S/C5H7NO/c1-4-2-5(7)6-3-4/h3H,2H2,1H3,(H,6,7)",47.42542,10.66182,ketoenol
10373,[C:1]([C:2]1=[C:3]([H:11])[N:4]([H:12])[C:5](=[O:6])[C:7]1([H:13])[H:14])([H:8])([H:9])[H:10],[C:1]([c:2]1[c:3]([H:11])[n:4]([H:12])[c:5]([O:6][H:14])[c:7]1[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-5(7)6-3-4/h3H,2H2,1H3,(H,6,7)","InChI=1S/C5H7NO/c1-4-2-5(7)6-3-4/h2-3,6-7H,1H3",66.83762,7.651269999999999,ketoenol
10374,[C:1]([C:2]1=[C:3]([H:11])[N:4]([H:12])[C:5](=[O:6])[C:7]1([H:13])[H:14])([H:8])([H:9])[H:10],[C:1]([C@:2]1([H:11])[C-:3]=[N+:4]([H:12])[C:5](=[O:6])[C:7]1([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-5(7)6-3-4/h3H,2H2,1H3,(H,6,7)","InChI=1S/C5H7NO/c1-4-2-5(7)6-3-4/h4,6H,2H2,1H3/t4-/m0/s1",58.73692,41.6392,Singlet_Carbene_Intra_Disproportionation
10375,[C:1]([C:2]1=[C:3]([H:11])[N:4]([H:12])[C:5](=[O:6])[C:7]1([H:13])[H:14])([H:8])([H:9])[H:10],[C-:5]#[O+:6].[C:1]([C:2](/[C:3](=[N:4]/[H:12])[H:11])=[C:7]([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-5(7)6-3-4/h3H,2H2,1H3,(H,6,7)","InChI=1S/C4H7N.CO/c1-4(2)3-5;1-2/h3,5H,1H2,2H3;/b5-3+;",51.28833,29.989829999999998,
10376,[C:1]([C:2]1=[C:3]([H:11])[N:4]([H:12])[C:5](=[O:6])[C:7]1([H:13])[H:14])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:7]([H:13])[C:5](=[O:6])[N:4]=[C:3]1[H:11])([H:8])([H:9])[H:10].[H:12][H:14],"InChI=1S/C5H7NO/c1-4-2-5(7)6-3-4/h3H,2H2,1H3,(H,6,7)","InChI=1S/C5H5NO.H2/c1-4-2-5(7)6-3-4;/h2-3H,1H3;1H",75.08371,39.60648,
10377,[C:1]([C:2]1=[C:3]([H:11])[N:4]([H:12])[C:5](=[O:6])[C:7]1([H:13])[H:14])([H:8])([H:9])[H:10],[C:1](=[C:2]1[C:3]([H:11])=[N:4][C:5](=[O:6])[C:7]1([H:13])[H:14])([H:8])[H:9].[H:10][H:12],"InChI=1S/C5H7NO/c1-4-2-5(7)6-3-4/h3H,2H2,1H3,(H,6,7)","InChI=1S/C5H5NO.H2/c1-4-2-5(7)6-3-4;/h3H,1-2H2;1H",96.14314,34.437459999999994,
10378,[C:1]([C:2]1=[C:3]([H:11])[N:4]([H:12])[C:5](=[O:6])[C:7]1([H:13])[H:14])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:3]([H:11])[O:6]/[C:5](=[N:4]\[H:12])[C:7]1([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-5(7)6-3-4/h3H,2H2,1H3,(H,6,7)","InChI=1S/C5H7NO/c1-4-2-5(6)7-3-4/h3,6H,2H2,1H3/b6-5-",111.51428,15.914370000000002,ketoenol
10379,[C:1]([C:2]1=[C:3]([H:11])[N:4]([H:12])[C:5](=[O:6])[C:7]1([H:13])[H:14])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:3]([H:11])[C:7]1([H:13])[H:14])([H:8])([H:9])[H:10].[N:4](=[C:5]=[O:6])[H:12],"InChI=1S/C5H7NO/c1-4-2-5(7)6-3-4/h3H,2H2,1H3,(H,6,7)","InChI=1S/C4H6.CHNO/c1-4-2-3-4;2-1-3/h2H,3H2,1H3;2H",105.76258999999999,54.103030000000004,
10380,[C:1]([C:2]1=[C:3]([H:11])[N:4]([H:12])[C:5](=[O:6])[C:7]1([H:13])[H:14])([H:8])([H:9])[H:10],[C:1]([C@:2]1([H:12])[C:3]([H:11])=[N:4][C:5](=[O:6])[C:7]1([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-5(7)6-3-4/h3H,2H2,1H3,(H,6,7)","InChI=1S/C5H7NO/c1-4-2-5(7)6-3-4/h3-4H,2H2,1H3/t4-/m0/s1",70.22258000000001,8.788160000000001,
10381,[C:1]([C:2]1=[C:3]([H:11])[N:4]([H:12])[C:5](=[O:6])[C:7]1([H:13])[H:14])([H:8])([H:9])[H:10],[C:1]([C@@:2]1(/[C:3](=[N:4]/[H:12])[H:11])[C:5](=[O:6])[C:7]1([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-5(7)6-3-4/h3H,2H2,1H3,(H,6,7)","InChI=1S/C5H7NO/c1-5(3-6)2-4(5)7/h3,6H,2H2,1H3/b6-3+/t5-/m1/s1",62.70111,45.055640000000004,
10382,[C:1]([C:2]1=[C:3]([H:11])[N:4]([H:12])[C:5](=[O:6])[C:7]1([H:13])[H:14])([H:8])([H:9])[H:10],[C:1]([C:2](/[C:3](=[N:4]/[H:12])[H:11])=[C:7](/[C:5](=[O:6])[H:14])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-5(7)6-3-4/h3H,2H2,1H3,(H,6,7)","InChI=1S/C5H7NO/c1-5(4-6)2-3-7/h2-4,6H,1H3/b5-2-,6-4+",51.06848,28.166359999999997,
10383,[C:1]([C:2]1=[C:3]([H:11])[N:4]([H:12])[C:5](=[O:6])[C:7]1([H:13])[H:14])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3])[C:7]([C:5]([N:4]([H:11])[H:12])=[O:6])([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-5(7)6-3-4/h3H,2H2,1H3,(H,6,7)","InChI=1S/C5H7NO/c1-4(2)3-5(6)7/h3H2,1H3,(H2,6,7)",86.20514,79.16631,
10384,[C:1]([C:2]1=[C:3]([H:11])[N:4]([H:12])[C:5](=[O:6])[C:7]1([H:13])[H:14])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:3]([H:11])[N+:4]1([C:5]([O-:6])=[C:7]([H:13])[H:14])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-5(7)6-3-4/h3H,2H2,1H3,(H,6,7)","InChI=1S/C5H7NO/c1-4-3-6(4)5(2)7/h3,7H,2H2,1H3",108.69984,95.95763000000001,
10385,[C:1]([C:2]1=[C:3]([H:11])[N:4]([H:12])[C:5](=[O:6])[C:7]1([H:13])[H:14])([H:8])([H:9])[H:10],[C:1](/[C:3](=[C:2]1/[N:4]([H:12])[C:5](=[O:6])[C:7]1([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-5(7)6-3-4/h3H,2H2,1H3,(H,6,7)","InChI=1S/C5H7NO/c1-2-4-3-5(7)6-4/h2H,3H2,1H3,(H,6,7)/b4-2+",117.36273999999999,17.08948,
10386,[C:1]([C:2]1=[C:3]([H:11])[N:4]([H:12])[C:5](=[O:6])[C:7]1([H:13])[H:14])([H:8])([H:9])[H:10],[C:1]([C:2](/[C:3](=[N:4]/[H:12])[H:11])=[C:7]=[C:5]=[O:6])([H:8])([H:9])[H:10].[H:13][H:14],"InChI=1S/C5H7NO/c1-4-2-5(7)6-3-4/h3H,2H2,1H3,(H,6,7)","InChI=1S/C5H5NO.H2/c1-5(4-6)2-3-7;/h4,6H,1H3;1H/b6-4+;",86.5355,63.618759999999995,
10387,[C:1]([C:2]1=[C:3]([H:11])[N:4]([H:12])[C:5](=[O:6])[C:7]1([H:13])[H:14])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:3]([H:11])[C@@:5]2([N:4]([H:12])[O:6]2)[C:7]1([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-5(7)6-3-4/h3H,2H2,1H3,(H,6,7)","InChI=1S/C5H7NO/c1-4-2-5(3-4)6-7-5/h2,6H,3H2,1H3/t5-/m0/s1",121.48286999999999,90.2315,
10388,[C:1]([C:2]1=[C:3]([H:11])[N:4]([H:12])[C:5](=[O:6])[C:7]1([H:13])[H:14])([H:8])([H:9])[H:10],[C:1](=[C:2]1[C-:3]=[N+:4]([H:12])[C:5](=[O:6])[C:7]1([H:13])[H:14])([H:8])[H:9].[H:10][H:11],"InChI=1S/C5H7NO/c1-4-2-5(7)6-3-4/h3H,2H2,1H3,(H,6,7)","InChI=1S/C5H5NO.H2/c1-4-2-5(7)6-3-4;/h6H,1-2H2;1H",93.43686,67.0993,
10389,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[C:4]([H:14])([H:15])[C:5](=[O:6])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4](=[C:5]=[O:6])[H:14])[O:7][H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-5(2)3-4(6)7-5/h3H2,1-2H3","InChI=1S/C5H8O2/c1-5(2,7)3-4-6/h3,7H,1-2H3",74.84025,16.389860000000002,
10390,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[C:4]([H:14])([H:15])[C:5](=[O:6])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[C:4]([H:14])=[C:5]([O:6][H:15])[O:7]1)([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-5(2)3-4(6)7-5/h3H2,1-2H3","InChI=1S/C5H8O2/c1-5(2)3-4(6)7-5/h3,6H,1-2H3",84.68167,31.63457,ketoenol
10391,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[C:4]([H:14])([H:15])[C:5](=[O:6])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([O:7][C:5](=[C+:4][H:14])[O-:6])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-5(2)3-4(6)7-5/h3H2,1-2H3","InChI=1S/C5H8O2/c1-4(2)7-5(3)6/h3-4H,1-2H3",77.40527,80.01803000000001,
10392,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[C:4]([H:14])([H:15])[C:5](=[O:6])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C:2]([C:4]([C:5]([C:3]([H:11])([H:12])[H:13])=[O:6])([H:14])[H:15])=[O:7])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-5(2)3-4(6)7-5/h3H2,1-2H3","InChI=1S/C5H8O2/c1-4(6)3-5(2)7/h3H2,1-2H3",82.42806999999999,3.41759,
10393,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[C:4]([H:14])([H:15])[C:5](=[O:6])[O:7]1)([H:8])([H:9])[H:10],[C:1]([O:7][C:5]([C:4]([C:2][C:3]([H:11])([H:12])[H:13])([H:14])[H:15])=[O:6])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-5(2)3-4(6)7-5/h3H2,1-2H3","InChI=1S/C5H8O2/c1-3-4-5(6)7-2/h4H2,1-2H3",112.45459,88.80014,
10394,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[C:4]([H:14])([H:15])[C:5](=[O:6])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])=[O:7])([H:8])([H:9])[H:10].[C:4](=[C:5]=[O:6])([H:14])[H:15],"InChI=1S/C5H8O2/c1-5(2)3-4(6)7-5/h3H2,1-2H3",InChI=1S/C3H6O.C2H2O/c1-3(2)4;1-2-3/h1-2H3;1H2,41.85577,22.591820000000002,2+2_cycloaddition
10395,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[C:4]([H:14])([H:15])[C:5](=[O:6])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])=[C:4]([H:14])[H:15])([H:8])([H:9])[H:10].[C:5](=[O:6])=[O:7],"InChI=1S/C5H8O2/c1-5(2)3-4(6)7-5/h3H2,1-2H3","InChI=1S/C4H8.CO2/c1-4(2)3;2-1-3/h1H2,2-3H3;",24.260839999999998,-10.62324,2+2_cycloaddition
10396,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[C:4]([H:14])([H:15])[C:5](=[O:6])[O:7]1)([H:8])([H:9])[H:10],[C-:5]#[O+:6].[C:1]([C:4]([C:2]([C:3]([H:11])([H:12])[H:13])=[O:7])([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-5(2)3-4(6)7-5/h3H2,1-2H3","InChI=1S/C4H8O.CO/c1-3-4(2)5;1-2/h3H2,1-2H3;",80.64993,6.8937100000000004,
10397,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[C:4]([H:14])([H:15])[C:5](=[O:6])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C@:2]1([C:4]([C:5](=[O:6])[H:12])([H:14])[H:15])[C:3]([H:11])([H:13])[O:7]1)([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-5(2)3-4(6)7-5/h3H2,1-2H3","InChI=1S/C5H8O2/c1-5(2-3-6)4-7-5/h3H,2,4H2,1H3/t5-/m0/s1",93.22865999999999,35.82261,
10398,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[C:4]([H:14])([H:15])[C:5](=[O:6])[O:7]1)([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:15].[C:2]([C:3]([H:11])([H:12])[H:13])([C:4](=[C:5]=[O:6])[H:14])=[O:7],"InChI=1S/C5H8O2/c1-5(2)3-4(6)7-5/h3H2,1-2H3","InChI=1S/C4H4O2.CH4/c1-4(6)2-3-5;/h2H,1H3;1H4",91.36261999999999,12.70712,
10399,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])=[C:5]([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])([H:15])[C:5][C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-5-3-2-4-6(5)7/h2,4-7H,3H2,1H3/t5-,6+/m0/s1","InChI=1S/C6H10O/c1-5-3-2-4-6(5)7/h5-7H,2-3H2,1H3/t5-,6+/m0/s1",73.36685,76.76415,Singlet_Carbene_Intra_Disproportionation
10400,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])=[C:5]([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])([H:17])[C@:5]1([C:6](=[O:7])[H:16])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-5-3-2-4-6(5)7/h2,4-7H,3H2,1H3/t5-,6+/m0/s1","InChI=1S/C6H10O/c1-5-2-3-6(5)4-7/h4-6H,2-3H2,1H3/t5-,6-/m0/s1",80.86253,9.82671,
10401,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])=[C:5]([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1]([C+:2]1[C:3]([H:12])([H:13])[C-:4]([H:14])[C:5]([H:11])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-5-3-2-4-6(5)7/h2,4-7H,3H2,1H3/t5-,6+/m0/s1","InChI=1S/C6H10O/c1-5-3-2-4-6(5)7/h2,6-7H,3-4H2,1H3/t6-/m1/s1",74.97066,77.28905999999999,
10402,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])=[C:5]([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1](=[C:2]([C:3](/[C:4](=[C:5](\[C:6](=[O:7])[H:16])[H:15])[H:14])([H:12])[H:13])[H:11])([H:8])[H:10].[H:9][H:17],"InChI=1S/C6H10O/c1-5-3-2-4-6(5)7/h2,4-7H,3H2,1H3/t5-,6+/m0/s1","InChI=1S/C6H8O.H2/c1-2-3-4-5-6-7;/h2,4-6H,1,3H2;1H/b5-4-;",58.381330000000005,35.71007,
10403,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])=[C:5]([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:6]([C:5](=[C:4]=[C:3]([H:12])[H:13])[H:15])([O:7][H:17])[H:16])([H:11])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-5-3-2-4-6(5)7/h2,4-7H,3H2,1H3/t5-,6+/m0/s1","InChI=1S/C6H10O/c1-3-5-6(7)4-2/h5-7H,1,4H2,2H3/t6-/m0/s1",125.04744,22.97941,
10404,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])=[C:5]([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:4]([O:7][H:17])([H:14])[C:5]([H:15])=[C:6]1[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-5-3-2-4-6(5)7/h2,4-7H,3H2,1H3/t5-,6+/m0/s1","InChI=1S/C6H10O/c1-5-2-3-6(7)4-5/h2-3,5-7H,4H2,1H3/t5-,6+/m1/s1",60.68258,2.37065,
10405,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])=[C:5]([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:13])=[C:4]([H:14])[C@:5]2([H:15])[C@@:6]1([H:16])[O:7]2)([H:8])([H:9])[H:10].[H:12][H:17],"InChI=1S/C6H10O/c1-5-3-2-4-6(5)7/h2,4-7H,3H2,1H3/t5-,6+/m0/s1","InChI=1S/C6H8O.H2/c1-4-2-3-5-6(4)7-5;/h2-6H,1H3;1H/t4-,5+,6-;/m0./s1",69.85766,42.97963,
10406,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])=[C:5]([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4][C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-5-3-2-4-6(5)7/h2,4-7H,3H2,1H3/t5-,6+/m0/s1","InChI=1S/C6H10O/c1-5-3-2-4-6(5)7/h5-7H,3-4H2,1H3/t5-,6+/m0/s1",71.86125,72.72425,Singlet_Carbene_Intra_Disproportionation
10407,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])=[C:5]([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:6]([C:5](=[C:4](\[C:3]([O:7][H:17])([H:12])[H:13])[H:14])/[H:15])\[H:16])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-5-3-2-4-6(5)7/h2,4-7H,3H2,1H3/t5-,6+/m0/s1","InChI=1S/C6H10O/c1-2-3-4-5-6-7/h2-5,7H,6H2,1H3/b3-2+,5-4-",88.00414,14.45522,
10408,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])=[C:5]([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:4]1(/[C:5](=[C:6](/[O:7][H:17])[H:16])[H:15])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-5-3-2-4-6(5)7/h2,4-7H,3H2,1H3/t5-,6+/m0/s1","InChI=1S/C6H10O/c1-5-4-6(5)2-3-7/h2-3,5-7H,4H2,1H3/b3-2+/t5-,6+/m0/s1",62.619980000000005,17.86769,
10409,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])=[C:5]([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1]([C:2][H:11])([H:8])([H:9])[H:10].[C:3]1([H:12])([H:13])[C:4]([H:14])=[C:5]([H:15])[C@:6]1([O:7][H:17])[H:16],"InChI=1S/C6H10O/c1-5-3-2-4-6(5)7/h2,4-7H,3H2,1H3/t5-,6+/m0/s1","InChI=1S/C4H6O.C2H4/c5-4-2-1-3-4;1-2/h1-2,4-5H,3H2;1H,2H3/t4-;/m1./s1",135.75497,129.34888999999998,
10410,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])=[C:5]([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1]([C+:2]1[C:3]([H:12])([H:13])[C-:4]=[C:5]([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10].[H:11][H:14],"InChI=1S/C6H10O/c1-5-3-2-4-6(5)7/h2,4-7H,3H2,1H3/t5-,6+/m0/s1","InChI=1S/C6H8O.H2/c1-5-3-2-4-6(5)7;/h4,6-7H,3H2,1H3;1H/t6-;/m1./s1",118.08763,104.65548000000001,
10411,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])=[C:5]([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])([H:16])[C:5]([H:15])=[C:6]1[O:7][H:17])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-5-3-2-4-6(5)7/h2,4-7H,3H2,1H3/t5-,6+/m0/s1","InChI=1S/C6H10O/c1-5-3-2-4-6(5)7/h4-5,7H,2-3H2,1H3/t5-/m0/s1",73.12448,-4.71919,
10412,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])=[C:5]([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1]([C:2]1([H:11])[C:3]([H:13])=[C:4]([H:14])[C:5]([H:15])=[C:6]1[H:16])([H:8])([H:9])[H:10].[O:7]([H:12])[H:17],"InChI=1S/C6H10O/c1-5-3-2-4-6(5)7/h2,4-7H,3H2,1H3/t5-,6+/m0/s1","InChI=1S/C6H8.H2O/c1-6-4-2-3-5-6;/h2-6H,1H3;1H2",50.42584,8.98516,
10413,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])=[C:5]([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:13])=[C:4]=[C:5]([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10].[H:12][H:14],"InChI=1S/C6H10O/c1-5-3-2-4-6(5)7/h2,4-7H,3H2,1H3/t5-,6+/m0/s1","InChI=1S/C6H8O.H2/c1-5-3-2-4-6(5)7;/h3-7H,1H3;1H/t5-,6+;/m0./s1",98.28073,88.65597,
10414,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])=[C:5]([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])=[C:4]([H:14])[C:5]([H:15])=[C:6]1[O:7][H:17])([H:8])([H:9])[H:10].[H:13][H:16],"InChI=1S/C6H10O/c1-5-3-2-4-6(5)7/h2,4-7H,3H2,1H3/t5-,6+/m0/s1","InChI=1S/C6H8O.H2/c1-5-3-2-4-6(5)7;/h2-5,7H,1H3;1H/t5-;/m0./s1",48.44895,19.90276,
10415,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])=[C:5]([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:13])=[C:4]([H:14])[C:5]([H:12])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-5-3-2-4-6(5)7/h2,4-7H,3H2,1H3/t5-,6+/m0/s1","InChI=1S/C6H10O/c1-5-3-2-4-6(5)7/h2-3,5-7H,4H2,1H3/t5-,6+/m0/s1",73.59227,0.90835,
10416,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])=[C:5]([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C@:5]([C:4](=[C:3]([H:12])[H:13])[H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-5-3-2-4-6(5)7/h2,4-7H,3H2,1H3/t5-,6+/m0/s1","InChI=1S/C6H10O/c1-3-5-4(2)6(5)7/h3-7H,1H2,2H3/t4-,5+,6-/m0/s1",65.44556,23.13079,
10417,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])=[C:5]([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])=[C:5]([H:15])[C:6]1=[O:7])([H:8])([H:9])[H:10].[H:16][H:17],"InChI=1S/C6H10O/c1-5-3-2-4-6(5)7/h2,4-7H,3H2,1H3/t5-,6+/m0/s1","InChI=1S/C6H8O.H2/c1-5-3-2-4-6(5)7;/h2,4-5H,3H2,1H3;1H/t5-;/m0./s1",73.12969,8.00758,
10418,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])=[C:5]([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1]([H:8])[H:10].[C:2]1([H:9])([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])=[C:5]([H:15])[C@:6]1([O:7][H:17])[H:16],"InChI=1S/C6H10O/c1-5-3-2-4-6(5)7/h2,4-7H,3H2,1H3/t5-,6+/m0/s1","InChI=1S/C5H8O.CH2/c6-5-3-1-2-4-5;/h1,3,5-6H,2,4H2;1H2/t5-;/m1./s1",102.0158,119.08637,"1,2_Insertion_carbene"
10419,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])=[C:5]([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]#[C:5][C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10].[H:14][H:15],"InChI=1S/C6H10O/c1-5-3-2-4-6(5)7/h2,4-7H,3H2,1H3/t5-,6+/m0/s1","InChI=1S/C6H8O.H2/c1-5-3-2-4-6(5)7;/h5-7H,3H2,1H3;1H/t5-,6+;/m0./s1",114.75193,103.64796,
10420,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])=[C:5]([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1](=[C:2](/[C:3](=[C:4]([C:5](=[C:6](/[O:7][H:17])[H:16])\[H:15])/[H:14])[H:12])[H:11])([H:8])[H:10].[H:9][H:13],"InChI=1S/C6H10O/c1-5-3-2-4-6(5)7/h2,4-7H,3H2,1H3/t5-,6+/m0/s1","InChI=1S/C6H8O.H2/c1-2-3-4-5-6-7;/h2-7H,1H2;1H/b4-3-,6-5-;",93.60584,29.813879999999997,
10421,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])=[C:5]([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]([C:3]([C:4](=[C:5])[H:14])([H:12])[H:13])([C:6]([O:7][H:17])([H:15])[H:16])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-5-3-2-4-6(5)7/h2,4-7H,3H2,1H3/t5-,6+/m0/s1","InChI=1S/C6H10O/c1-3-4-6(2)5-7/h3,6-7H,4-5H2,2H3/t6-/m0/s1",71.1999,77.76286999999999,
10422,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])=[C:5]([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])=[C:5]=[C:6]1[H:16])([H:8])([H:9])[H:10].[O:7]([H:15])[H:17],"InChI=1S/C6H10O/c1-5-3-2-4-6(5)7/h2,4-7H,3H2,1H3/t5-,6+/m0/s1","InChI=1S/C6H8.H2O/c1-6-4-2-3-5-6;/h2,5-6H,4H2,1H3;1H2/t6-;/m0./s1",74.9334,72.99122,
10423,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])=[C:5]([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3](/[C:4](=[C:5](\[C:6](=[O:7])[H:16])[H:15])[H:14])([H:12])[H:13])([H:9])[H:11])([H:8])([H:10])[H:17],"InChI=1S/C6H10O/c1-5-3-2-4-6(5)7/h2,4-7H,3H2,1H3/t5-,6+/m0/s1","InChI=1S/C6H10O/c1-2-3-4-5-6-7/h4-6H,2-3H2,1H3/b5-4-",83.16688,2.79941,
10424,[C:1]([C:2]([C@@:3]([O:4][H:14])([C:5]([C:6](=[O:7])[H:17])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3](=[O:4])[C:5]([C:6]([O:7][H:14])([H:13])[H:17])([H:15])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-2-5(7)3-4-6/h4-5,7H,2-3H2,1H3/t5-/m1/s1","InChI=1S/C5H10O2/c1-2-5(7)3-4-6/h6H,2-4H2,1H3",44.744,-4.66763,
10425,[C:1]([C:2]([C@@:3]([O:4][H:14])([C:5]([C:6](=[O:7])[H:17])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3](=[O:4])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10].[C:5](=[C:6]([O:7][H:14])[H:17])([H:15])[H:16],"InChI=1S/C5H10O2/c1-2-5(7)3-4-6/h4-5,7H,2-3H2,1H3/t5-/m1/s1","InChI=1S/C3H6O.C2H4O/c1-2-3-4;1-2-3/h3H,2H2,1H3;2-3H,1H2",23.57774,20.1462,Retroene
10426,[C:1]([C:2]([C@@:3]([O:4][H:14])([C:5]([C:6](=[O:7])[H:17])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:3]1([H:13])[O:4][C@@:5]1([C:6]([O:7][H:14])([H:15])[H:17])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-2-5(7)3-4-6/h4-5,7H,2-3H2,1H3/t5-/m1/s1","InChI=1S/C5H10O2/c1-2-4-5(3-6)7-4/h4-6H,2-3H2,1H3/t4-,5-/m1/s1",63.79018000000001,21.84253,
10427,[C:1]([C:2]([C@@:3]([O:4][H:14])([C:5]([C:6](=[O:7])[H:17])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3](=[O:4])[C:5]([C:6](=[O:7])[H:17])([H:15])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10].[H:13][H:14],"InChI=1S/C5H10O2/c1-2-5(7)3-4-6/h4-5,7H,2-3H2,1H3/t5-/m1/s1","InChI=1S/C5H8O2.H2/c1-2-5(7)3-4-6;/h4H,2-3H2,1H3;1H",79.22426,17.209410000000002,
10428,[C:1]([C:2]([C@@:3]([O:4][H:14])([C:5]([C:6](=[O:7])[H:17])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](=[C:2]([H:11])[H:12])([H:9])[H:10].[C:3](=[O:4])([C:5]([C:6](=[O:7])[H:17])([H:15])[H:16])[H:13].[H:8][H:14],"InChI=1S/C5H10O2/c1-2-5(7)3-4-6/h4-5,7H,2-3H2,1H3/t5-/m1/s1","InChI=1S/C3H4O2.C2H4.H2/c4-2-1-3-5;1-2;/h2-3H,1H2;1-2H2;1H",67.33083,49.31185,
10429,[C:1]([C:2]([C@@:3]([O:4][H:14])([C:5]([C:6](=[O:7])[H:17])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3](=[C:5]([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10].[O:4]([C:6](=[O:7])[H:17])[H:14],"InChI=1S/C5H10O2/c1-2-5(7)3-4-6/h4-5,7H,2-3H2,1H3/t5-/m1/s1","InChI=1S/C4H8.CH2O2/c1-3-4-2;2-1-3/h3H,1,4H2,2H3;1H,(H,2,3)",48.37215,3.5166,
10430,[C:1]([C:2]([C@@:3]([O:4][H:14])([C:5]([C:6](=[O:7])[H:17])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:3](/[C:5]([C:6](=[O:7])[H:17])([H:15])[H:16])[H:13])[H:12])([H:8])([H:9])[H:10].[O:4]([H:11])[H:14],"InChI=1S/C5H10O2/c1-2-5(7)3-4-6/h4-5,7H,2-3H2,1H3/t5-/m1/s1","InChI=1S/C5H8O.H2O/c1-2-3-4-5-6;/h2-3,5H,4H2,1H3;1H2/b3-2+;",62.58996,14.483429999999998,"1,3_Insertion_ROR"
10431,[C:1]([C:2]([C@@:3]([O:4][H:14])([C:5]([C:6](=[O:7])[H:17])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:3]([O:4][H:14])([C:5]([C:6][O:7][H:17])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-2-5(7)3-4-6/h4-5,7H,2-3H2,1H3/t5-/m1/s1","InChI=1S/C5H10O2/c1-2-5(7)3-4-6/h5-7H,2-3H2,1H3/t5-/m1/s1",82.24994000000001,58.07026,
10432,[C:1]([C:2]([C@@:3]([O:4][H:14])([C:5]([C:6](=[O:7])[H:17])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([H:11])([H:12])[H:13])([H:8])([H:9])[H:10].[C:3]([O:4][H:14])[C:5]([C:6](=[O:7])[H:17])([H:15])[H:16],"InChI=1S/C5H10O2/c1-2-5(7)3-4-6/h4-5,7H,2-3H2,1H3/t5-/m1/s1","InChI=1S/C3H4O2.C2H6/c4-2-1-3-5;1-2/h2,5H,1H2;1-2H3",74.62796999999999,69.0184,
10433,[C:1]([C:2]([C@@:3]([O:4][H:14])([C:5]([C:6](=[O:7])[H:17])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:3](\[O:4][H:14])[H:13])[H:12])([H:8])([H:9])[H:10].[C:5](=[C:6]([O:7][H:11])[H:17])([H:15])[H:16],"InChI=1S/C5H10O2/c1-2-5(7)3-4-6/h4-5,7H,2-3H2,1H3/t5-/m1/s1","InChI=1S/C3H6O.C2H4O/c1-2-3-4;1-2-3/h2-4H,1H3;2-3H,1H2/b3-2-;",44.26807,26.64005,Retroene
10434,[C:1]([C:2]([C@@:3]([O:4][H:14])([C:5]([C:6](=[O:7])[H:17])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C-:6]#[O+:7].[C:1]([C:2]([C:3]([O:4][H:14])=[C:5]([H:15])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10].[H:13][H:17],"InChI=1S/C5H10O2/c1-2-5(7)3-4-6/h4-5,7H,2-3H2,1H3/t5-/m1/s1","InChI=1S/C4H8O.CO.H2/c1-3-4(2)5;1-2;/h5H,2-3H2,1H3;;1H",59.32441,23.8723,
10435,[C:1]([C:2]([C@@:3]([O:4][H:14])([C:5]([C:6](=[O:7])[H:17])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:3]([O:4][H:14])(/[C:5](=[C:6](\[O:7][H:15])[H:17])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-2-5(7)3-4-6/h4-5,7H,2-3H2,1H3/t5-/m1/s1","InChI=1S/C5H10O2/c1-2-5(7)3-4-6/h3-7H,2H2,1H3/b4-3-/t5-/m1/s1",67.02186,7.95043,ketoenol
10436,[C:1]([C:2]([C@@:3]([O:4][H:14])([C:5]([C:6](=[O:7])[H:17])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:3]1([H:13])[O:4][C@@:6]([O:7][H:14])([H:17])[C:5]1([H:15])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-2-5(7)3-4-6/h4-5,7H,2-3H2,1H3/t5-/m1/s1","InChI=1S/C5H10O2/c1-2-4-3-5(6)7-4/h4-6H,2-3H2,1H3/t4-,5+/m1/s1",46.28305,14.51119,
10437,[C:1]([C:2]([C@@:3]([O:4][H:14])([C:5]([C:6](=[O:7])[H:17])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3][H:13])([H:11])[H:12])([H:8])([H:9])[H:10].[O:4]([C:5]([C:6](=[O:7])[H:17])([H:15])[H:16])[H:14],"InChI=1S/C5H10O2/c1-2-5(7)3-4-6/h4-5,7H,2-3H2,1H3/t5-/m1/s1","InChI=1S/C3H6.C2H4O2/c1-3-2;3-1-2-4/h1H,3H2,2H3;1,4H,2H2",115.12188,30.83496,
10438,[C:1]([C:2]([C@@:3]([O:4][H:14])([C:5]([C:6](=[O:7])[H:17])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:5]([C:3](=[O:4])[H:13])([H:15])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10].[C:6](=[O:7])([H:14])[H:17],"InChI=1S/C5H10O2/c1-2-5(7)3-4-6/h4-5,7H,2-3H2,1H3/t5-/m1/s1","InChI=1S/C4H8O.CH2O/c1-2-3-4-5;1-2/h4H,2-3H2,1H3;1H2",85.49700000000001,23.38682,
10439,[C:1]([C:2]([C@@:3]([O:4][H:14])([C:5]([C:6](=[O:7])[H:17])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@:3]1([H:13])[C:5]([H:15])([H:16])[C:6]([H:17])[O:7]1)([H:11])[H:12])([H:8])([H:9])[H:10].[O:4][H:14],"InChI=1S/C5H10O2/c1-2-5(7)3-4-6/h4-5,7H,2-3H2,1H3/t5-/m1/s1","InChI=1S/C5H9O.HO/c1-2-5-3-4-6-5;/h4-5H,2-3H2,1H3;1H/t5-;/m1./s1",105.51437,117.13767,
10440,[C:1]([C:2]([C@@:3]([O:4][H:14])([C:5]([C:6](=[O:7])[H:17])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3](=[O:4])/[C:5](=[C:6](\[O:7][H:14])[H:17])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10].[H:13][H:15],"InChI=1S/C5H10O2/c1-2-5(7)3-4-6/h4-5,7H,2-3H2,1H3/t5-/m1/s1","InChI=1S/C5H8O2.H2/c1-2-5(7)3-4-6;/h3-4,6H,2H2,1H3;1H/b4-3-;",68.75784,4.37169,
10441,[C:1]([C:2]([C@@:3]([O:4][H:14])([C:5]([C:6](=[O:7])[H:17])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:3]([O:4][H:14])([C:5]([O+:7]=[C-:6][H:17])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-2-5(7)3-4-6/h4-5,7H,2-3H2,1H3/t5-/m1/s1","InChI=1S/C5H10O2/c1-3-5(6)4-7-2/h2,5-6H,3-4H2,1H3/t5-/m1/s1",110.48122,70.56648,
10442,[C:1]([C:2]([C@@:3]([O:4][H:14])([C:5]([C:6](=[O:7])[H:17])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3][C:5]([C:6](=[O:7])[H:17])([H:15])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10].[O:4]([H:13])[H:14],"InChI=1S/C5H10O2/c1-2-5(7)3-4-6/h4-5,7H,2-3H2,1H3/t5-/m1/s1","InChI=1S/C5H8O.H2O/c1-2-3-4-5-6;/h5H,2,4H2,1H3;1H2",72.89268,89.35553,
10443,[C:1]([O:2][C:3]([C:4]1([C:5]([H:13])([H:14])[H:15])[C:6]([H:16])([H:17])[C:7]1([H:18])[H:19])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:15].[C:4]1(=[C:5]([H:13])[H:14])[C:6]([H:16])([H:17])[C:7]1([H:18])[H:19].[O:2]=[C:3]([H:11])[H:12],"InChI=1S/C6H12O/c1-6(3-4-6)5-7-2/h3-5H2,1-2H3",InChI=1S/C4H6.CH2O.CH4/c1-4-2-3-4;1-2;/h1-3H2;1H2;1H4,78.75899,32.36378,
10444,[C:1]([O:2][C:3]([C:4]1([C:5]([H:13])([H:14])[H:15])[C:6]([H:16])([H:17])[C:7]1([H:18])[H:19])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2]/[C:3](=[C:4](\[C:5]([H:13])([H:14])[H:15])[C:6](=[C:7]([H:18])[H:19])[H:17])[H:12])([H:8])([H:9])[H:10].[H:11][H:16],"InChI=1S/C6H12O/c1-6(3-4-6)5-7-2/h3-5H2,1-2H3","InChI=1S/C6H10O.H2/c1-4-6(2)5-7-3;/h4-5H,1H2,2-3H3;1H/b6-5+;",85.97471,15.969479999999999,
10445,[C:1]([O:2][C:3]([C:4]1([C:5]([H:13])([H:14])[H:15])[C:6]([H:16])([H:17])[C:7]1([H:18])[H:19])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O+:2]=[C:3]([C@@:4]1([C:5]([H:13])([H:14])[H:15])[C-:6]([H:16])[C:7]1([H:18])[H:19])[H:12])([H:8])([H:9])[H:10].[H:11][H:17],"InChI=1S/C6H12O/c1-6(3-4-6)5-7-2/h3-5H2,1-2H3","InChI=1S/C6H10O.H2/c1-6(3-4-6)5-7-2;/h3,5H,4H2,1-2H3;1H/t6-;/m0./s1",103.49195,76.56107,
10446,[C:1]([O:2][C:3]([C:4]1([C:5]([H:13])([H:14])[H:15])[C:6]([H:16])([H:17])[C:7]1([H:18])[H:19])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:6]([C:4]([C:5]([H:13])([H:14])[H:15])=[C:7]([H:18])[H:19])([H:16])[H:17])([H:8])([H:9])[H:10].[O:2]=[C:3]([H:11])[H:12],"InChI=1S/C6H12O/c1-6(3-4-6)5-7-2/h3-5H2,1-2H3","InChI=1S/C5H10.CH2O/c1-4-5(2)3;1-2/h2,4H2,1,3H3;1H2",85.52053000000001,-1.69278,
10447,[C:1]([O:2][C:3]([C:4]1([C:5]([H:13])([H:14])[H:15])[C:6]([H:16])([H:17])[C:7]1([H:18])[H:19])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O+:2]=[C-:3][H:12])([H:8])([H:9])[H:10].[C:4]1([C:5]([H:13])([H:14])[H:15])([H:11])[C:6]([H:16])([H:17])[C:7]1([H:18])[H:19],"InChI=1S/C6H12O/c1-6(3-4-6)5-7-2/h3-5H2,1-2H3","InChI=1S/C4H8.C2H4O/c1-4-2-3-4;1-3-2/h4H,2-3H2,1H3;1H,2H3",73.03826,70.02049,
10448,[C:1]([O:2][C:3]([C:4]1([C:5]([H:13])([H:14])[H:15])[C:6]([H:16])([H:17])[C:7]1([H:18])[H:19])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]([C:4]1=[C:7]([H:18])[C:6]1([H:16])[H:17])([H:11])[H:12])([H:8])([H:9])[H:10].[C:5]([H:13])([H:14])([H:15])[H:19],"InChI=1S/C6H12O/c1-6(3-4-6)5-7-2/h3-5H2,1-2H3","InChI=1S/C5H8O.CH4/c1-6-4-5-2-3-5;/h2H,3-4H2,1H3;1H4",114.1452,42.35112,
10449,[C:1]([O:2][C:3]([C:4]1([C:5]([H:13])([H:14])[H:15])[C:6]([H:16])([H:17])[C:7]1([H:18])[H:19])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]([C:4][C:6]([C:7]([C:5]([H:13])([H:14])[H:15])([H:18])[H:19])([H:16])[H:17])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-6(3-4-6)5-7-2/h3-5H2,1-2H3","InChI=1S/C6H12O/c1-3-4-5-6-7-2/h3-4,6H2,1-2H3",95.35004,70.33807,
10450,[C:1]([O:2][C:3]([C:4]1([C:5]([H:13])([H:14])[H:15])[C:6]([H:16])([H:17])[C:7]1([H:18])[H:19])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C:6]([C:7]([C:4](=[C:3]([H:11])[H:12])[C:5]([H:13])([H:14])[H:15])([H:18])[H:19])([H:16])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-6(3-4-6)5-7-2/h3-5H2,1-2H3","InChI=1S/C6H12O/c1-6(2)4-5-7-3/h1,4-5H2,2-3H3",64.46693,-6.256419999999999,
10451,[C:1]([O:2][C:3]([C:4]1([C:5]([H:13])([H:14])[H:15])[C:6]([H:16])([H:17])[C:7]1([H:18])[H:19])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]([C:6]([C:7]([C:4][C:5]([H:13])([H:14])[H:15])([H:18])[H:19])([H:16])[H:17])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-6(3-4-6)5-7-2/h3-5H2,1-2H3","InChI=1S/C6H12O/c1-3-4-5-6-7-2/h4-6H2,1-2H3",92.84048,70.56603,
10452,[C:1]([O:2][C:3]([C:4]1([C:5]([H:13])([H:14])[H:15])[C:6]([H:16])([H:17])[C:7]1([H:18])[H:19])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C:4]1([C:5]([H:13])([H:14])[H:15])[C:3]([H:11])([H:12])[C:7]([H:18])([H:19])[C:6]1([H:16])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-6(3-4-6)5-7-2/h3-5H2,1-2H3","InChI=1S/C6H12O/c1-6(7-2)4-3-5-6/h3-5H2,1-2H3",72.2516,-4.51219,
10453,[O:1]([C@@:2]1([H:9])[C@:3]2([H:10])[O:4][C@@:5]1([H:11])[C@:6]2([O:7][H:13])[H:12])[H:8],[O:1](/[C:2](=[C:5](/[O:4]/[C:3](=[C:6](/[O:7][H:13])[H:12])[H:10])[H:11])[H:9])[H:8],"InChI=1S/C4H6O3/c5-1-3-2(6)4(1)7-3/h1-6H/t1-,2-,3-,4+","InChI=1S/C4H6O3/c5-1-3-7-4-2-6/h1-6H/b3-1+,4-2+",30.83428,-27.61522,
10454,[O:1]([C@@:2]1([H:9])[C@:3]2([H:10])[O:4][C@@:5]1([H:11])[C@:6]2([O:7][H:13])[H:12])[H:8],[O:1]=[C:2]([C@:5]([O:4][H:8])([C@:6]([C:3][H:10])([O:7][H:13])[H:12])[H:11])[H:9],"InChI=1S/C4H6O3/c5-1-3-2(6)4(1)7-3/h1-6H/t1-,2-,3-,4+","InChI=1S/C4H6O3/c1-3(6)4(7)2-5/h1-4,6-7H/t3-,4-/m0/s1",32.01034,31.663909999999998,
10455,[O:1]([C@@:2]1([H:9])[C@:3]2([H:10])[O:4][C@@:5]1([H:11])[C@:6]2([O:7][H:13])[H:12])[H:8],[H:12][H:13].[O:1]([C@@:2]1([H:9])[C@@:3]2([H:10])[O:4][C@:5]1([H:11])[C:6]2=[O:7])[H:8],"InChI=1S/C4H6O3/c5-1-3-2(6)4(1)7-3/h1-6H/t1-,2-,3-,4+","InChI=1S/C4H4O3.H2/c5-1-3-2(6)4(1)7-3;/h1,3-5H;1H/t1-,3+,4-;",78.87406,19.61334,
10456,[O:1]([C@@:2]1([H:9])[C@:3]2([H:10])[O:4][C@@:5]1([H:11])[C@:6]2([O:7][H:13])[H:12])[H:8],[O:1](/[C:2](=[C:5](/[C@:6]([C:3](=[O:4])[H:10])([O:7][H:13])[H:12])[H:11])[H:9])[H:8],"InChI=1S/C4H6O3/c5-1-3-2(6)4(1)7-3/h1-6H/t1-,2-,3-,4+","InChI=1S/C4H6O3/c5-2-1-4(7)3-6/h1-5,7H/b2-1+/t4-/m1/s1",29.97113,-47.27774,
10457,[O:1]([C@@:2]1([H:9])[C@:3]2([H:10])[O:4][C@@:5]1([H:11])[C@:6]2([O:7][H:13])[H:12])[H:8],[O:1]([C@@:2]1([H:9])[C@@:3]2([H:10])[O:4][C@:5]1([H:11])[C:6]2)[H:8].[O:7]([H:12])[H:13],"InChI=1S/C4H6O3/c5-1-3-2(6)4(1)7-3/h1-6H/t1-,2-,3-,4+","InChI=1S/C4H4O2.H2O/c5-4-2-1-3(4)6-2;/h2-5H;1H2/t2-,3+,4-;",68.75763,68.21361,
10458,[O:1]([C@@:2]1([H:9])[C@:3]2([H:10])[O:4][C@@:5]1([H:11])[C@:6]2([O:7][H:13])[H:12])[H:8],[O:1]([C@@:2]1([H:9])[C@:3]([O:4][H:12])([H:10])[C:6]([O:7][H:13])=[C:5]1[H:11])[H:8],"InChI=1S/C4H6O3/c5-1-3-2(6)4(1)7-3/h1-6H/t1-,2-,3-,4+","InChI=1S/C4H6O3/c5-2-1-3(6)4(2)7/h1-2,4-7H/t2-,4-/m1/s1",65.37846,-38.48753,
10459,[N:1]([C:2](=[O:3])[C:4]([O:5]/[C:6](=[N:7]/[H:13])[H:12])([H:10])[H:11])([H:8])[H:9],[C:2]1(=[O:3])[C:4]([H:10])([H:11])[O:5][C:6]([H:12])=[N:7]1.[N:1]([H:8])([H:9])[H:13],"InChI=1S/C3H6N2O2/c4-2-7-1-3(5)6/h2,4H,1H2,(H2,5,6)/b4-2+","InChI=1S/C3H3NO2.H3N/c5-3-1-6-2-4-3;/h2H,1H2;1H3",50.7342,13.765460000000001,
10460,[N:1]([C:2](=[O:3])[C:4]([O:5]/[C:6](=[N:7]/[H:13])[H:12])([H:10])[H:11])([H:8])[H:9],[N:1]([C@@:2]1([H:13])[O:3][N:7]=[C:6]([H:12])[O:5][C:4]1([H:10])[H:11])([H:8])[H:9],"InChI=1S/C3H6N2O2/c4-2-7-1-3(5)6/h2,4H,1H2,(H2,5,6)/b4-2+","InChI=1S/C3H6N2O2/c4-3-1-6-2-5-7-3/h2-3H,1,4H2/t3-/m0/s1",106.74048,57.27259,
10461,[N:1]([C:2](=[O:3])[C:4]([O:5]/[C:6](=[N:7]/[H:13])[H:12])([H:10])[H:11])([H:8])[H:9],[N:1]1([H:8])[C:2](=[O:3])[C:4]([H:10])([H:11])[O:5][C@:6]1([N:7]([H:9])[H:13])[H:12],"InChI=1S/C3H6N2O2/c4-2-7-1-3(5)6/h2,4H,1H2,(H2,5,6)/b4-2+","InChI=1S/C3H6N2O2/c4-3-5-2(6)1-7-3/h3H,1,4H2,(H,5,6)/t3-/m0/s1",40.78803,4.16737,
10462,[N:1]([C:2](=[O:3])[C:4]([O:5]/[C:6](=[N:7]/[H:13])[H:12])([H:10])[H:11])([H:8])[H:9],[C:4](=[O:5])([H:10])[H:11].[N:1]([C:2](=[O:3])/[C:6](=[N:7]/[H:13])[H:12])([H:8])[H:9],"InChI=1S/C3H6N2O2/c4-2-7-1-3(5)6/h2,4H,1H2,(H2,5,6)/b4-2+","InChI=1S/C2H4N2O.CH2O/c3-1-2(4)5;1-2/h1,3H,(H2,4,5);1H2/b3-1+;",84.31764,21.36431,
10463,[N:1]([C:2](=[O:3])[C:4]([O:5]/[C:6](=[N:7]/[H:13])[H:12])([H:10])[H:11])([H:8])[H:9],[N:1]([C:4]([C:2](=[O:3])[N:7]([C:6](=[O:5])[H:12])[H:13])([H:10])[H:11])([H:8])[H:9],"InChI=1S/C3H6N2O2/c4-2-7-1-3(5)6/h2,4H,1H2,(H2,5,6)/b4-2+","InChI=1S/C3H6N2O2/c4-1-3(7)5-2-6/h2H,1,4H2,(H,5,6,7)",60.52113000000001,-4.3793,
10464,[N:1]([C:2](=[O:3])[C:4]([O:5]/[C:6](=[N:7]/[H:13])[H:12])([H:10])[H:11])([H:8])[H:9],[N:1]([C@:2]1([O:3]/[C:6](=[N:7]/[H:13])[H:12])[C:4]([H:10])([H:11])[O:5]1)([H:8])[H:9],"InChI=1S/C3H6N2O2/c4-2-7-1-3(5)6/h2,4H,1H2,(H2,5,6)/b4-2+","InChI=1S/C3H6N2O2/c4-2-7-3(5)1-6-3/h2,4H,1,5H2/b4-2+/t3-/m1/s1",58.43224,41.89067,
10465,[N:1]([C:2](=[O:3])[C:4]([O:5]/[C:6](=[N:7]/[H:13])[H:12])([H:10])[H:11])([H:8])[H:9],[N:1]([C:2][C:4]([O+:5]=[C:6]([N:7]([O-:3])[H:13])[H:12])([H:10])[H:11])([H:8])[H:9],"InChI=1S/C3H6N2O2/c4-2-7-1-3(5)6/h2,4H,1H2,(H2,5,6)/b4-2+","InChI=1S/C3H6N2O2/c4-1-2-7-3-5-6/h3,5H,2,4H2",108.21361,114.82831000000002,
10466,[N:1]([C:2](=[O:3])[C:4]([O:5]/[C:6](=[N:7]/[H:13])[H:12])([H:10])[H:11])([H:8])[H:9],[N:1]([C:2](=[O:3])[C:4]([N:7]([C:6](=[O:5])[H:12])[H:13])([H:10])[H:11])([H:8])[H:9],"InChI=1S/C3H6N2O2/c4-2-7-1-3(5)6/h2,4H,1H2,(H2,5,6)/b4-2+","InChI=1S/C3H6N2O2/c4-3(7)1-5-2-6/h2H,1H2,(H2,4,7)(H,5,6)",40.88943,-16.30014,ketoenol
10467,[N:1]([C:2](=[O:3])[C:4]([O:5]/[C:6](=[N:7]/[H:13])[H:12])([H:10])[H:11])([H:8])[H:9],[N:1]([N:7]([C@@:6]1([H:12])[C:2](=[O:3])[C:4]([H:10])([H:11])[O:5]1)[H:13])([H:8])[H:9],"InChI=1S/C3H6N2O2/c4-2-7-1-3(5)6/h2,4H,1H2,(H2,5,6)/b4-2+","InChI=1S/C3H6N2O2/c4-5-3-2(6)1-7-3/h3,5H,1,4H2/t3-/m1/s1",99.01692,60.11708,
10468,[N:1]([C:2](=[O:3])[C:4]([O:5]/[C:6](=[N:7]/[H:13])[H:12])([H:10])[H:11])([H:8])[H:9],[C:4](=[O:5])([H:10])[H:11].[C:6](#[N:7])[H:12].[N:1]([C:2](=[O:3])[H:13])([H:8])[H:9],"InChI=1S/C3H6N2O2/c4-2-7-1-3(5)6/h2,4H,1H2,(H2,5,6)/b4-2+","InChI=1S/CH3NO.CHN.CH2O/c2-1-3;2*1-2/h1H,(H2,2,3);1H;1H2",67.20289,36.85305,
10469,[N:1]([C:2](=[O:3])[C:4]([O:5]/[C:6](=[N:7]/[H:13])[H:12])([H:10])[H:11])([H:8])[H:9],[N:1]([C@@:2]1([O:3][H:12])[C:4]([H:10])([H:11])[O:5]/[C:6]1=[N:7]/[H:13])([H:8])[H:9],"InChI=1S/C3H6N2O2/c4-2-7-1-3(5)6/h2,4H,1H2,(H2,5,6)/b4-2+","InChI=1S/C3H6N2O2/c4-2-3(5,6)1-7-2/h4,6H,1,5H2/b4-2+/t3-/m1/s1",73.04822,29.74353,
10470,[N:1]([C:2](=[O:3])[C:4]([O:5]/[C:6](=[N:7]/[H:13])[H:12])([H:10])[H:11])([H:8])[H:9],[N:1]([C:2]([O:3][N:7]([C:6](=[O:5])[H:12])[H:13])=[C:4]([H:10])[H:11])([H:8])[H:9],"InChI=1S/C3H6N2O2/c4-2-7-1-3(5)6/h2,4H,1H2,(H2,5,6)/b4-2+","InChI=1S/C3H6N2O2/c1-3(4)7-5-2-6/h2H,1,4H2,(H,5,6)",62.895990000000005,54.84236,
10471,[N:1]([C:2](=[O:3])[C:4]([O:5]/[C:6](=[N:7]/[H:13])[H:12])([H:10])[H:11])([H:8])[H:9],[C:6](=[N:7][H:13])([H:11])[H:12].[N:1]([C:2](=[O:3])[C:4](=[O:5])[H:10])([H:8])[H:9],"InChI=1S/C3H6N2O2/c4-2-7-1-3(5)6/h2,4H,1H2,(H2,5,6)/b4-2+","InChI=1S/C2H3NO2.CH3N/c3-2(5)1-4;1-2/h1H,(H2,3,5);2H,1H2",70.72425,21.5742,
10472,[N:1]([C:2](=[O:3])[C:4]([O:5]/[C:6](=[N:7]/[H:13])[H:12])([H:10])[H:11])([H:8])[H:9],[N:1](=[C:2](/[O:3][H:8])[C:4]([O:5]/[C:6](=[N:7]/[H:13])[H:12])([H:10])[H:11])\[H:9],"InChI=1S/C3H6N2O2/c4-2-7-1-3(5)6/h2,4H,1H2,(H2,5,6)/b4-2+","InChI=1S/C3H6N2O2/c4-2-7-1-3(5)6/h2,4H,1H2,(H2,5,6)/b4-2+",43.33619,12.01404,ketoenol
10473,[N:1]([C:2](=[O:3])[C:4]([O:5]/[C:6](=[N:7]/[H:13])[H:12])([H:10])[H:11])([H:8])[H:9],[C:2](=[O:3])=[C:4]([H:10])[H:11].[N:1]([N:7]([C:6](=[O:5])[H:12])[H:13])([H:8])[H:9],"InChI=1S/C3H6N2O2/c4-2-7-1-3(5)6/h2,4H,1H2,(H2,5,6)/b4-2+","InChI=1S/C2H2O.CH4N2O/c1-2-3;2-3-1-4/h1H2;1H,2H2,(H,3,4)",68.56187,42.93403,
10474,[N:1]([C:2](=[O:3])[C:4]([O:5]/[C:6](=[N:7]/[H:13])[H:12])([H:10])[H:11])([H:8])[H:9],[N:1](=[C:2]1/[O:3][C@@:6]([N:7]([H:8])[H:13])([H:12])[O:5][C:4]1([H:10])[H:11])\[H:9],"InChI=1S/C3H6N2O2/c4-2-7-1-3(5)6/h2,4H,1H2,(H2,5,6)/b4-2+","InChI=1S/C3H6N2O2/c4-2-1-6-3(5)7-2/h3-4H,1,5H2/b4-2+/t3-/m1/s1",44.418240000000004,15.460720000000002,
10475,[N:1]([C:2](=[O:3])[C:4]([O:5]/[C:6](=[N:7]/[H:13])[H:12])([H:10])[H:11])([H:8])[H:9],[C:2]1(=[O:3])[C:4]([H:10])([H:11])[O:5]/[C:6]1=[N:7]/[H:13].[N:1]([H:8])([H:9])[H:12],"InChI=1S/C3H6N2O2/c4-2-7-1-3(5)6/h2,4H,1H2,(H2,5,6)/b4-2+","InChI=1S/C3H3NO2.H3N/c4-3-2(5)1-6-3;/h4H,1H2;1H3/b4-3+;",74.04856,36.01428,
10476,[N:1]([C:2](=[O:3])[C:4]([O:5]/[C:6](=[N:7]/[H:13])[H:12])([H:10])[H:11])([H:8])[H:9],[N:1]([C:2]([O-:3])=[C:4]([O:5][C:6](=[N+:7]([H:11])[H:13])[H:12])[H:10])([H:8])[H:9],"InChI=1S/C3H6N2O2/c4-2-7-1-3(5)6/h2,4H,1H2,(H2,5,6)/b4-2+","InChI=1S/C3H6N2O2/c4-2-7-1-3(5)6/h1-2,4,6H,5H2",43.73742,41.03812,
10477,[N:1]([C:2](=[O:3])[C:4]([O:5]/[C:6](=[N:7]/[H:13])[H:12])([H:10])[H:11])([H:8])[H:9],[C:4](=[O:5])([H:10])[H:11].[C:6](=[N:7][H:13])([H:8])[H:12].[N:1](=[C:2]=[O:3])[H:9],"InChI=1S/C3H6N2O2/c4-2-7-1-3(5)6/h2,4H,1H2,(H2,5,6)/b4-2+","InChI=1S/CHNO.CH3N.CH2O/c2-1-3;2*1-2/h2H;2H,1H2;1H2",88.6659,38.245740000000005,
10478,[N:1]([C:2](=[O:3])[C:4]([O:5]/[C:6](=[N:7]/[H:13])[H:12])([H:10])[H:11])([H:8])[H:9],[N:1]([O+:3]=[C-:2][C:4]([O:5]/[C:6](=[N:7]/[H:13])[H:12])([H:10])[H:11])([H:8])[H:9],"InChI=1S/C3H6N2O2/c4-2-7-1-3(5)6/h2,4H,1H2,(H2,5,6)/b4-2+","InChI=1S/C3H6N2O2/c4-3-6-1-2-7-5/h3-4H,1,5H2/b4-3+",109.70443,112.53327,
10479,[N:1]([C:2](=[O:3])[C:4]([O:5]/[C:6](=[N:7]/[H:13])[H:12])([H:10])[H:11])([H:8])[H:9],[N:1]([C@@:2]1([N:7]([C:6](=[O:5])[H:12])[H:13])[O:3][C:4]1([H:10])[H:11])([H:8])[H:9],"InChI=1S/C3H6N2O2/c4-2-7-1-3(5)6/h2,4H,1H2,(H2,5,6)/b4-2+","InChI=1S/C3H6N2O2/c4-3(1-7-3)5-2-6/h2H,1,4H2,(H,5,6)/t3-/m0/s1",51.89074,26.00155,
10480,[N:1]([C:2](=[O:3])[C:4]([O:5]/[C:6](=[N:7]/[H:13])[H:12])([H:10])[H:11])([H:8])[H:9],[N:1]([C@@:2]1([O:3][H:12])[C:4]([H:10])([H:11])[O+:5]=[C-:6][N:7]1[H:13])([H:8])[H:9],"InChI=1S/C3H6N2O2/c4-2-7-1-3(5)6/h2,4H,1H2,(H2,5,6)/b4-2+","InChI=1S/C3H6N2O2/c4-3(6)1-7-2-5-3/h5-6H,1,4H2/t3-/m0/s1",78.42513000000001,43.77071,
10481,[N:1]([C:2](=[O:3])[C:4]([O:5]/[C:6](=[N:7]/[H:13])[H:12])([H:10])[H:11])([H:8])[H:9],[C:6]=[N:7][H:13].[N:1]([C:2](=[O:3])[C:4]([O:5][H:12])([H:10])[H:11])([H:8])[H:9],"InChI=1S/C3H6N2O2/c4-2-7-1-3(5)6/h2,4H,1H2,(H2,5,6)/b4-2+","InChI=1S/C2H5NO2.CHN/c3-2(5)1-4;1-2/h4H,1H2,(H2,3,5);2H",71.07088,35.07132,
10482,[N:1]([C:2](=[O:3])[C:4]([O:5]/[C:6](=[N:7]/[H:13])[H:12])([H:10])[H:11])([H:8])[H:9],[N:1]([C:2](=[O:3])[C:4]([O:5][C-:6]=[N+:7]([H:12])[H:13])([H:10])[H:11])([H:8])[H:9],"InChI=1S/C3H6N2O2/c4-2-7-1-3(5)6/h2,4H,1H2,(H2,5,6)/b4-2+","InChI=1S/C3H6N2O2/c4-2-7-1-3(5)6/h1,4H2,(H2,5,6)",79.42339,33.32343,
10483,[N:1]([C:2](=[O:3])[C:4]([O:5]/[C:6](=[N:7]/[H:13])[H:12])([H:10])[H:11])([H:8])[H:9],[N:1]([C@@:2]1([H:12])[O:3]/[C:6](=[N:7]\[H:13])[O:5][C:4]1([H:10])[H:11])([H:8])[H:9],"InChI=1S/C3H6N2O2/c4-2-7-1-3(5)6/h2,4H,1H2,(H2,5,6)/b4-2+","InChI=1S/C3H6N2O2/c4-2-1-6-3(5)7-2/h2,5H,1,4H2/b5-3-/t2-/m0/s1",79.99003,10.080639999999999,
10484,[N:1]([C:2](=[O:3])[C:4]([O:5]/[C:6](=[N:7]/[H:13])[H:12])([H:10])[H:11])([H:8])[H:9],[N:1]([C@@:2]12[O:3][C@@:6]([H:12])([O:5][C:4]1([H:10])[H:11])[N:7]2[H:13])([H:8])[H:9],"InChI=1S/C3H6N2O2/c4-2-7-1-3(5)6/h2,4H,1H2,(H2,5,6)/b4-2+","InChI=1S/C3H6N2O2/c4-3-1-6-2(5-3)7-3/h2,5H,1,4H2/t2-,3+/m1/s1",61.098969999999994,52.76866,
10485,[N:1]([C:2](=[O:3])[C:4]([O:5]/[C:6](=[N:7]/[H:13])[H:12])([H:10])[H:11])([H:8])[H:9],[N:1]([C:2]([C:4]([O:5][C:6](=[O:3])[H:12])([H:10])[H:11])=[N:7][H:13])([H:8])[H:9],"InChI=1S/C3H6N2O2/c4-2-7-1-3(5)6/h2,4H,1H2,(H2,5,6)/b4-2+","InChI=1S/C3H6N2O2/c4-3(5)1-7-2-6/h2H,1H2,(H3,4,5)",53.88286,1.8337299999999999,
10486,[N:1]([C:2](=[O:3])[C:4]([O:5]/[C:6](=[N:7]/[H:13])[H:12])([H:10])[H:11])([H:8])[H:9],[H:9][H:11].[N:1](=[C:2]1\[O:3][C@:4]1([O:5]/[C:6](=[N:7]/[H:13])[H:12])[H:10])\[H:8],"InChI=1S/C3H6N2O2/c4-2-7-1-3(5)6/h2,4H,1H2,(H2,5,6)/b4-2+","InChI=1S/C3H4N2O2.H2/c4-1-6-3-2(5)7-3;/h1,3-5H;1H/b4-1+,5-2-;/t3-;/m1./s1",85.11818000000001,64.2611,
10487,[N:1]([C:2](=[O:3])[C:4]([O:5]/[C:6](=[N:7]/[H:13])[H:12])([H:10])[H:11])([H:8])[H:9],[N:1](/[C:2]([O:3][H:11])=[C:4](\[O:5]/[C:6](=[N:7]/[H:13])[H:12])[H:10])([H:8])[H:9],"InChI=1S/C3H6N2O2/c4-2-7-1-3(5)6/h2,4H,1H2,(H2,5,6)/b4-2+","InChI=1S/C3H6N2O2/c4-2-7-1-3(5)6/h1-2,4,6H,5H2/b3-1+,4-2+",58.09417,24.414839999999998,ketoenol
10488,[N:1]([C:2](=[O:3])[C:4]([O:5]/[C:6](=[N:7]/[H:13])[H:12])([H:10])[H:11])([H:8])[H:9],[N:1]([C:2](=[O:3])[N:7]([C:6](=[O+:5][C-:4]([H:10])[H:11])[H:12])[H:13])([H:8])[H:9],"InChI=1S/C3H6N2O2/c4-2-7-1-3(5)6/h2,4H,1H2,(H2,5,6)/b4-2+","InChI=1S/C3H6N2O2/c1-7-2-5-3(4)6/h2H,1H2,(H3,4,5,6)",61.48368000000001,56.507940000000005,
10489,[N:1]([C:2](=[O:3])[C:4]([O:5]/[C:6](=[N:7]/[H:13])[H:12])([H:10])[H:11])([H:8])[H:9],[N+:1]([C:2]([O-:3])=[C:4]([O:5]/[C:6](=[N:7]/[H:13])[H:12])[H:10])([H:8])([H:9])[H:11],"InChI=1S/C3H6N2O2/c4-2-7-1-3(5)6/h2,4H,1H2,(H2,5,6)/b4-2+","InChI=1S/C3H6N2O2/c4-2-7-1-3(5)6/h1-2,4,6H,5H2/b3-1?,4-2+",71.17581,40.21999,
10490,[N:1]([C:2](=[O:3])[C:4]([O:5]/[C:6](=[N:7]/[H:13])[H:12])([H:10])[H:11])([H:8])[H:9],[N:1]([C:2]([O:3][C@@:6]1([H:12])[O:5][N:7]1[H:13])=[C:4]([H:10])[H:11])([H:8])[H:9],"InChI=1S/C3H6N2O2/c4-2-7-1-3(5)6/h2,4H,1H2,(H2,5,6)/b4-2+","InChI=1S/C3H6N2O2/c1-2(4)6-3-5-7-3/h3,5H,1,4H2/t3-/m0/s1",88.15446,76.32364,
10491,[N:1]([C:2](=[O:3])[C:4]([O:5]/[C:6](=[N:7]/[H:13])[H:12])([H:10])[H:11])([H:8])[H:9],[N:1]([C:2](=[O:3])[C:4](/[C:6]([O:5][H:12])=[N:7]/[H:13])([H:10])[H:11])([H:8])[H:9],"InChI=1S/C3H6N2O2/c4-2-7-1-3(5)6/h2,4H,1H2,(H2,5,6)/b4-2+","InChI=1S/C3H6N2O2/c4-2(6)1-3(5)7/h1H2,(H2,4,6)(H2,5,7)",101.73443,-14.33225,
10492,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C@@:4]([C:5]([H:16])([H:17])[H:18])([C:6]#[N:7])[H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C@@:4]([C:5]([H:16])([H:17])[H:18])([N+:7]#[C-:6])[H:15])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H11N/c1-5(2)6(3)4-7/h5-6H,1-3H3/t6-/m0/s1","InChI=1S/C6H11N/c1-5(2)6(3)7-4/h5-6H,1-3H3/t6-/m1/s1",58.16574,24.547179999999997,
10493,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C@@:4]([C:5]([H:16])([H:17])[H:18])([C:6]#[N:7])[H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:6]([C:4]([C:3]([H:12])([H:13])[H:14])([C:5]([H:16])([H:17])[H:18])[H:15])=[N:7]1)([H:8])([H:9])[H:10],"InChI=1S/C6H11N/c1-5(2)6(3)4-7/h5-6H,1-3H3/t6-/m0/s1","InChI=1S/C6H11N/c1-4(2)6-5(3)7-6/h4-5H,1-3H3/t5-/m0/s1",137.50599,34.37621,
10494,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C@@:4]([C:5]([H:16])([H:17])[H:18])([C:6]#[N:7])[H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]([H:13])[H:14])[H:11])([H:8])([H:9])[H:10].[C:4]([C:5]([H:16])([H:17])[H:18])(=[C:6]=[N:7][H:12])[H:15],"InChI=1S/C6H11N/c1-5(2)6(3)4-7/h5-6H,1-3H3/t6-/m0/s1","InChI=1S/C3H5N.C3H6/c1-2-3-4;1-3-2/h2,4H,1H3;3H,1H2,2H3",53.30449,41.82054,Retroene
10495,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C@@:4]([C:5]([H:16])([H:17])[H:18])([C:6]#[N:7])[H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:13])([H:14])[N:7]([H:12])[C:6][C@@:4]1([C:5]([H:16])([H:17])[H:18])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C6H11N/c1-5(2)6(3)4-7/h5-6H,1-3H3/t6-/m0/s1","InChI=1S/C6H11N/c1-5-3-7-4-6(5)2/h5-7H,3H2,1-2H3/t5-,6-/m0/s1",82.69015,46.97634,
10496,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C@@:4]([C:5]([H:16])([H:17])[H:18])([C:6]#[N:7])[H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]([H:13])[H:14])[C@@:4]([C:5]([H:16])([H:17])[H:18])([C:6]#[N:7])[H:15])([H:8])([H:9])[H:10].[H:11][H:12],"InChI=1S/C6H11N/c1-5(2)6(3)4-7/h5-6H,1-3H3/t6-/m0/s1","InChI=1S/C6H9N.H2/c1-5(2)6(3)4-7;/h6H,1H2,2-3H3;1H/t6-;/m0./s1",106.32156,30.4817,
10497,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C@@:4]([C:5]([H:16])([H:17])[H:18])([C:6]#[N:7])[H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([N:7]=[C:6]=[C:4]([C:5]([H:16])([H:17])[H:18])[H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H11N/c1-5(2)6(3)4-7/h5-6H,1-3H3/t6-/m0/s1","InChI=1S/C6H11N/c1-3-5-7-6-4-2/h3H,4,6H2,1-2H3",87.33236,26.10179,
10498,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C@@:4]([C:5]([H:16])([H:17])[H:18])([C:6]#[N:7])[H:15])[H:11])([H:8])([H:9])[H:10],[C:1]1([H:9])([H:10])[C@:2]([C:3]([H:12])([H:13])[H:14])([H:11])[C@@:4]1([C:5]([H:16])([H:17])[H:18])[H:15].[C:6](#[N:7])[H:8],"InChI=1S/C6H11N/c1-5(2)6(3)4-7/h5-6H,1-3H3/t6-/m0/s1","InChI=1S/C5H10.CHN/c1-4-3-5(4)2;1-2/h4-5H,3H2,1-2H3;1H/t4-,5-;/m1./s1",87.82002,35.784659999999995,
10499,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C@@:4]([C:5]([H:16])([H:17])[H:18])([C:6]#[N:7])[H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C@@:4]1([H:15])[C:5]([H:16])([H:17])/[C:6]1=[N:7]\[H:18])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H11N/c1-5(2)6(3)4-7/h5-6H,1-3H3/t6-/m0/s1","InChI=1S/C6H11N/c1-4(2)5-3-6(5)7/h4-5,7H,3H2,1-2H3/b7-6+/t5-/m1/s1",105.64591999999999,33.87383,
10500,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C@@:4]([C:5]([H:16])([H:17])[H:18])([C:6]#[N:7])[H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C+:4]=[C:6]=[N-:7])[H:11])([H:8])([H:9])[H:10].[C:5]([H:15])([H:16])([H:17])[H:18],"InChI=1S/C6H11N/c1-5(2)6(3)4-7/h5-6H,1-3H3/t6-/m0/s1","InChI=1S/C5H7N.CH4/c1-5(2)3-4-6;/h5H,1-2H3;1H4",78.66599000000001,81.96728,
10501,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C@@:4]([C:5]([H:16])([H:17])[H:18])([C:6]#[N:7])[H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:11].[C:2]([C:3]([H:12])([H:13])[H:14])[C@@:4]([C:5]([H:16])([H:17])[H:18])([C:6]#[N:7])[H:15],"InChI=1S/C6H11N/c1-5(2)6(3)4-7/h5-6H,1-3H3/t6-/m0/s1","InChI=1S/C5H7N.CH4/c1-3-5(2)4-6;/h5H,1-2H3;1H4/t5-;/m1./s1",83.84167,91.84453,
10502,[O:1]=[C:2]1[C@@:3]2([H:8])[N:4]([H:9])[C@:5]1([H:10])[C:6]([H:11])=[C:7]2[H:12],[O-:1][C:2]1=[C+:5][N:4]([H:9])[C@:3]1([C:7](=[C:6]([H:10])[H:11])[H:12])[H:8],"InChI=1S/C5H5NO/c7-5-3-1-2-4(5)6-3/h1-4,6H/t3-,4+","InChI=1S/C5H5NO/c1-2-4-5(7)3-6-4/h2,4,6H,1H2/t4-/m0/s1",58.57025,31.43443,
10503,[O:1]=[C:2]1[C@@:3]2([H:8])[N:4]([H:9])[C@:5]1([H:10])[C:6]([H:11])=[C:7]2[H:12],[O+:1]#[C-:2].[c:3]1([H:8])[n:4]([H:9])[c:5]([H:10])[c:6]([H:11])[c:7]1[H:12],"InChI=1S/C5H5NO/c7-5-3-1-2-4(5)6-3/h1-4,6H/t3-,4+",InChI=1S/C4H5N.CO/c1-2-4-5-3-1;1-2/h1-5H;,6.0104,-46.725120000000004,
10504,[O:1]=[C:2]1[C@@:3]2([H:8])[N:4]([H:9])[C@:5]1([H:10])[C:6]([H:11])=[C:7]2[H:12],[O:1]=[c:2]1[n:4]([H:9])[c:3]([H:8])[c:7]([H:12])[c:6]([H:11])[c:5]1[H:10],"InChI=1S/C5H5NO/c7-5-3-1-2-4(5)6-3/h1-4,6H/t3-,4+","InChI=1S/C5H5NO/c7-5-3-1-2-4-6-5/h1-4H,(H,6,7)",30.360559999999996,-68.40218,
10505,[O:1]=[C:2]1[C@@:3]2([H:8])[N:4]([H:9])[C@:5]1([H:10])[C:6]([H:11])=[C:7]2[H:12],[O:1]=[C:2]1[C:3]([H:8])=[C:7]([H:12])[C@@:6]2([H:11])[N:4]([H:9])[C@@:5]12[H:10],"InChI=1S/C5H5NO/c7-5-3-1-2-4(5)6-3/h1-4,6H/t3-,4+","InChI=1S/C5H5NO/c7-4-2-1-3-5(4)6-3/h1-3,5-6H/t3-,5-/m1/s1",25.85306,-15.88067,
10506,[O:1]=[C:2]1[C@@:3]2([H:8])[N:4]([H:9])[C@:5]1([H:10])[C:6]([H:11])=[C:7]2[H:12],[C:6](#[C:7][H:12])[H:11].[O:1]=[C:2]=[C:3]([N:4]([C:5][H:10])[H:9])[H:8],"InChI=1S/C5H5NO/c7-5-3-1-2-4(5)6-3/h1-4,6H/t3-,4+","InChI=1S/C3H3NO.C2H2/c1-4-2-3-5;1-2/h1-2,4H;1-2H",70.10342,77.35304000000001,
10507,[O:1]=[C:2]1[C@@:3]2([H:8])[N:4]([H:9])[C@:5]1([H:10])[C:6]([H:11])=[C:7]2[H:12],[O-:1][C:2]1=[C+:5][C:6]([H:11])=[C:7]([H:12])[C@@:3]1([N:4]([H:9])[H:10])[H:8],"InChI=1S/C5H5NO/c7-5-3-1-2-4(5)6-3/h1-4,6H/t3-,4+","InChI=1S/C5H5NO/c6-4-2-1-3-5(4)7/h1-2,4H,6H2/t4-/m0/s1",68.41724,40.93817,
10508,[O:1]=[C:2]1[C@@:3]2([H:8])[N:4]([H:9])[C@:5]1([H:10])[C:6]([H:11])=[C:7]2[H:12],[O:1]=[C:2]1[C@@:3]([C:7](=[C:6])[H:12])([H:8])[N:4]([H:9])[C:5]1([H:10])[H:11],"InChI=1S/C5H5NO/c7-5-3-1-2-4(5)6-3/h1-4,6H/t3-,4+","InChI=1S/C5H5NO/c1-2-4-5(7)3-6-4/h2,4,6H,3H2/t4-/m0/s1",57.62393,63.27519,
10509,[O:1]=[C:2]1[C@@:3]2([H:8])[N:4]([H:9])[C@:5]1([H:10])[C:6]([H:11])=[C:7]2[H:12],[O:1]([C:2]1=[C:3]2[N:4]([H:9])[C@:5]1([H:10])[C:6]([H:11])=[C:7]2[H:12])[H:8],"InChI=1S/C5H5NO/c7-5-3-1-2-4(5)6-3/h1-4,6H/t3-,4+","InChI=1S/C5H5NO/c7-5-3-1-2-4(5)6-3/h1-3,6-7H/t3-/m1/s1",97.95006,77.26068000000001,ketoenol
10510,[C:1](/[C:2](=[N:3]\[O:4][H:11])[C@@:5]1([H:12])[C:6]([H:13])([H:14])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:5]([H:12])[C:6]([H:13])([H:14])[O:7][N:3]1[O:4][H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-3(5-6)4-2-7-4/h4,6H,2H2,1H3/b5-3+/t4-/m1/s1","InChI=1S/C4H7NO2/c1-4-2-3-7-5(4)6/h2,6H,3H2,1H3",51.007220000000004,18.155910000000002,
10511,[C:1](/[C:2](=[N:3]\[O:4][H:11])[C@@:5]1([H:12])[C:6]([H:13])([H:14])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:5]([H:12])[N:3]1[O:4][H:11])([H:8])([H:9])[H:10].[C:6](=[O:7])([H:13])[H:14],"InChI=1S/C4H7NO2/c1-3(5-6)4-2-7-4/h4,6H,2H2,1H3/b5-3+/t4-/m1/s1","InChI=1S/C3H5NO.CH2O/c1-3-2-4(3)5;1-2/h2,5H,1H3;1H2",66.45383000000001,53.84048000000001,
10512,[C:1](/[C:2](=[N:3]\[O:4][H:11])[C@@:5]1([H:12])[C:6]([H:13])([H:14])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C-:2]([N:3]([O:4][H:11])[H:13])[C@@:5]1([H:12])[C:6]([H:14])=[O+:7]1)([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-3(5-6)4-2-7-4/h4,6H,2H2,1H3/b5-3+/t4-/m1/s1","InChI=1S/C4H7NO2/c1-3(5-6)4-2-7-4/h2,4-6H,1H3/t4-/m1/s1",96.11052,63.526230000000005,
10513,[C:1](/[C:2](=[N:3]\[O:4][H:11])[C@@:5]1([H:12])[C:6]([H:13])([H:14])[O:7]1)([H:8])([H:9])[H:10],[C:1](/[C:2]([N:3]([O:4][H:11])[H:12])=[C:5]1/[C:6]([H:13])([H:14])[O:7]1)([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-3(5-6)4-2-7-4/h4,6H,2H2,1H3/b5-3+/t4-/m1/s1","InChI=1S/C4H7NO2/c1-3(5-6)4-2-7-4/h5-6H,2H2,1H3/b4-3+",58.4969,19.93587,
10514,[C:1](/[C:2](=[N:3]\[O:4][H:11])[C@@:5]1([H:12])[C:6]([H:13])([H:14])[O:7]1)([H:8])([H:9])[H:10],[C:1](/[C:2](=[N:3]\[O:4][H:11])[C:5]([C:6]([H:12])([H:13])[H:14])=[O:7])([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-3(5-6)4-2-7-4/h4,6H,2H2,1H3/b5-3+/t4-/m1/s1","InChI=1S/C4H7NO2/c1-3(5-7)4(2)6/h7H,1-2H3/b5-3+",56.197680000000005,-34.61302,
10515,[C:1](/[C:2](=[N:3]\[O:4][H:11])[C@@:5]1([H:12])[C:6]([H:13])([H:14])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C:2]([N-:3][O:4][H:11])=[C:5]([O+:7]=[C:6]([H:13])[H:14])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-3(5-6)4-2-7-4/h4,6H,2H2,1H3/b5-3+/t4-/m1/s1","InChI=1S/C4H7NO2/c1-4(5-6)3-7-2/h3,6H,2H2,1H3",39.72849,26.18091,
10516,[C:1](/[C:2](=[N:3]\[O:4][H:11])[C@@:5]1([H:12])[C:6]([H:13])([H:14])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C+:2]([N:3]([O-:4])[H:11])[C@@:5]1([H:12])[C:6]([H:13])([H:14])[O:7]1)([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-3(5-6)4-2-7-4/h4,6H,2H2,1H3/b5-3+/t4-/m1/s1","InChI=1S/C4H7NO2/c1-3(5-6)4-2-7-4/h4-5H,2H2,1H3/t4-/m1/s1",47.4431,13.11292,
10517,[C:1](/[C:2](=[N:3]\[O:4][H:11])[C@@:5]1([H:12])[C:6]([H:13])([H:14])[O:7]1)([H:8])([H:9])[H:10],[C:1](=[C:2]([N:3]=[O:4])[C@@:5]1([H:12])[C:6]([H:13])([H:14])[O:7]1)([H:8])[H:9].[H:10][H:11],"InChI=1S/C4H7NO2/c1-3(5-6)4-2-7-4/h4,6H,2H2,1H3/b5-3+/t4-/m1/s1","InChI=1S/C4H5NO2.H2/c1-3(5-6)4-2-7-4;/h4H,1-2H2;1H/t4-;/m1./s1",57.18241999999999,50.15891,
10518,[C:1](/[C:2](=[N:3]\[O:4][H:11])[C@@:5]1([H:12])[C:6]([H:13])([H:14])[O:7]1)([H:8])([H:9])[H:10],[C:1](/[C:2](=[N:3]\[O:4][H:11])[C@@:5]1([H:12])[C-:6]=[O+:7]1)([H:8])([H:9])[H:10].[H:13][H:14],"InChI=1S/C4H7NO2/c1-3(5-6)4-2-7-4/h4,6H,2H2,1H3/b5-3+/t4-/m1/s1","InChI=1S/C4H5NO2.H2/c1-3(5-6)4-2-7-4;/h4,6H,1H3;1H/b5-3+;/t4-;/m1./s1",81.99869,62.528969999999994,
10519,[C:1](/[C:2](=[N:3]\[O:4][H:11])[C@@:5]1([H:12])[C:6]([H:13])([H:14])[O:7]1)([H:8])([H:9])[H:10],[C:1](/[C:2](=[N:3]\[O:4][H:11])[C@@:5]([C:6][H:13])([O:7][H:14])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-3(5-6)4-2-7-4/h4,6H,2H2,1H3/b5-3+/t4-/m1/s1","InChI=1S/C4H7NO2/c1-3(5-7)4(2)6/h2,4,6-7H,1H3/b5-3+/t4-/m1/s1",69.84699,68.67811,
10520,[C:1](/[C:2](=[N:3]\[O:4][H:11])[C@@:5]1([H:12])[C:6]([H:13])([H:14])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:5]([C:6]([O:7][H:12])([H:13])[H:14])[N:3]1[O:4][H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-3(5-6)4-2-7-4/h4,6H,2H2,1H3/b5-3+/t4-/m1/s1","InChI=1S/C4H7NO2/c1-3-4(2-6)5(3)7/h6-7H,2H2,1H3",59.99966,32.11869,
10521,[C:1](/[C:2](=[N:3]\[O:4][H:11])[C@@:5]1([H:12])[C:6]([H:13])([H:14])[O:7]1)([H:8])([H:9])[H:10],[C:1](/[C:2](=[N:3]\[O:4][H:11])[C:6]([C:5](=[O:7])[H:12])([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-3(5-6)4-2-7-4/h4,6H,2H2,1H3/b5-3+/t4-/m1/s1","InChI=1S/C4H7NO2/c1-4(5-7)2-3-6/h3,7H,2H2,1H3/b5-4+",57.96014,-24.25104,
10522,[C:1](/[C:2](=[N:3]\[O:4][H:11])[C@@:5]1([H:12])[C:6]([H:13])([H:14])[O:7]1)([H:8])([H:9])[H:10],[C:1](=[C:2]([N:3]([O:4][H:11])[H:10])[C@@:5]1([H:12])[C:6]([H:13])([H:14])[O:7]1)([H:8])[H:9],"InChI=1S/C4H7NO2/c1-3(5-6)4-2-7-4/h4,6H,2H2,1H3/b5-3+/t4-/m1/s1","InChI=1S/C4H7NO2/c1-3(5-6)4-2-7-4/h4-6H,1-2H2/t4-/m1/s1",73.45031,15.068420000000001,
10523,[C:1](/[C:2](=[N:3]\[O:4][H:11])[C@@:5]1([H:12])[C:6]([H:13])([H:14])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C@@:2]1([C:5](=[O:7])[H:12])[N:3]([O:4][H:11])[C:6]1([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-3(5-6)4-2-7-4/h4,6H,2H2,1H3/b5-3+/t4-/m1/s1","InChI=1S/C4H7NO2/c1-4(3-6)2-5(4)7/h3,7H,2H2,1H3/t4-,5?/m1/s1",52.07846,1.1842700000000002,
10524,[C:1](/[C:2](=[N:3]\[O:4][H:11])[C@@:5]1([H:12])[C:6]([H:13])([H:14])[O:7]1)([H:8])([H:9])[H:10],[C:1](/[C:2](=[N:3]\[O:4][H:11])[O:7][C:6]([C:5][H:12])([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-3(5-6)4-2-7-4/h4,6H,2H2,1H3/b5-3+/t4-/m1/s1","InChI=1S/C4H7NO2/c1-3-7-4(2)5-6/h1,6H,3H2,2H3/b5-4+",84.26987,78.13143000000001,
10525,[C:1](/[C:2](=[N:3]\[O:4][H:11])[C@@:5]1([H:12])[C:6]([H:13])([H:14])[O:7]1)([H:8])([H:9])[H:10],[C:1](/[C:2](=[N:3]\[C@@:5]1([H:12])[C:6]([H:13])([H:14])[O:7]1)[O:4][H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-3(5-6)4-2-7-4/h4,6H,2H2,1H3/b5-3+/t4-/m1/s1","InChI=1S/C4H7NO2/c1-3(6)5-4-2-7-4/h4H,2H2,1H3,(H,5,6)/t4-/m1/s1",75.96847,-38.2304,
10526,[C:1](/[C:2](=[N:3]\[O:4][H:11])[C@@:5]1([H:12])[C:6]([H:13])([H:14])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C@:2]12[N:3]([O:4][H:11])[C@@:5]1([H:12])[O:7][C:6]2([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-3(5-6)4-2-7-4/h4,6H,2H2,1H3/b5-3+/t4-/m1/s1","InChI=1S/C4H7NO2/c1-4-2-7-3(4)5(4)6/h3,6H,2H2,1H3/t3-,4+,5?/m0/s1",60.00648,31.01595,
10527,[C:1](/[C:2](=[N:3]\[O:4][H:11])[C@@:5]1([H:12])[C:6]([H:13])([H:14])[O:7]1)([H:8])([H:9])[H:10],[C:1](/[C:2]([N:3]=[O:4])=[C:5](\[O:7][C:6]([H:11])([H:13])[H:14])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-3(5-6)4-2-7-4/h4,6H,2H2,1H3/b5-3+/t4-/m1/s1","InChI=1S/C4H7NO2/c1-4(5-6)3-7-2/h3H,1-2H3/b4-3+",79.89447,4.560969999999999,
10528,[C:1](/[C:2](=[N:3]\[O:4][H:11])[C@@:5]1([H:12])[C:6]([H:13])([H:14])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C:2](=[N+:3]([O:4][H:11])[O-:7])[C:5](=[C:6]([H:13])[H:14])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-3(5-6)4-2-7-4/h4,6H,2H2,1H3/b5-3+/t4-/m1/s1","InChI=1S/C4H7NO2/c1-3-4(2)5(6)7/h3H,1H2,2H3,(H,6,7)",87.9943,9.82739,
10529,[C:1](/[C:2](=[N:3]\[O:4][H:11])[C@@:5]1([H:12])[C:6]([H:13])([H:14])[O:7]1)([H:8])([H:9])[H:10],[C:1](/[C:2]([N:3]=[O:4])=[C:5](/[C:6]([O:7][H:11])([H:13])[H:14])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-3(5-6)4-2-7-4/h4,6H,2H2,1H3/b5-3+/t4-/m1/s1","InChI=1S/C4H7NO2/c1-4(5-7)2-3-6/h2,6H,3H2,1H3/b4-2-",58.007819999999995,1.7899900000000002,
10530,[C:1](/[C:2](=[N:3]\[O:4][H:11])[C@@:5]1([H:12])[C:6]([H:13])([H:14])[O:7]1)([H:8])([H:9])[H:10],[C:1](/[C:2]([N:3]([O:4][H:11])[H:14])=[C:5](/[C:6](=[O:7])[H:13])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-3(5-6)4-2-7-4/h4,6H,2H2,1H3/b5-3+/t4-/m1/s1","InChI=1S/C4H7NO2/c1-4(5-7)2-3-6/h2-3,5,7H,1H3/b4-2-",52.2528,-26.14808,
10531,[C:1](/[C:2](=[N:3]\[O:4][H:11])[C@@:5]1([H:12])[C:6]([H:13])([H:14])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C:2]([N+:3]([O:4][H:11])=[C:6]([H:13])[H:14])=[C:5]([O-:7])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-3(5-6)4-2-7-4/h4,6H,2H2,1H3/b5-3+/t4-/m1/s1","InChI=1S/C4H7NO2/c1-4(3-6)5(2)7/h3H,2H2,1H3,(H-,6,7)",52.09545,3.26063,
10532,[C:1](/[C:2](=[N:3]\[O:4][H:11])[C@@:5]1([H:12])[C:6]([H:13])([H:14])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C@:2]([N-:3][O:4][H:11])([C@@:5]1([H:12])[C:6]([H:13])=[O+:7]1)[H:14])([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-3(5-6)4-2-7-4/h4,6H,2H2,1H3/b5-3+/t4-/m1/s1","InChI=1S/C4H7NO2/c1-3(5-6)4-2-7-4/h2-4,6H,1H3/t3-,4+/m0/s1",78.27831,77.66635,
10533,[C:1](/[C:2](=[N:3]\[O:4][H:11])[C@@:5]1([H:12])[C:6]([H:13])([H:14])[O:7]1)([H:8])([H:9])[H:10],[C:1]([O:7][C:6]([C:5](=[C:2]=[N:3][O:4][H:11])[H:12])([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-3(5-6)4-2-7-4/h4,6H,2H2,1H3/b5-3+/t4-/m1/s1","InChI=1S/C4H7NO2/c1-7-4-2-3-5-6/h2,6H,4H2,1H3",94.40131,12.37963,
10534,[C:1](/[C:2](=[N:3]\[O:4][H:11])[C@@:5]1([H:12])[C:6]([H:13])([H:14])[O:7]1)([H:8])([H:9])[H:10],[C:1](=[C:2]1[N:3]([O:4][H:11])[C@:5]12[C:6]([H:13])([H:14])[O:7]2)([H:8])[H:9].[H:10][H:12],"InChI=1S/C4H7NO2/c1-3(5-6)4-2-7-4/h4,6H,2H2,1H3/b5-3+/t4-/m1/s1","InChI=1S/C4H5NO2.H2/c1-3-4(2-7-4)5(3)6;/h6H,1-2H2;1H/t4-,5?;/m0./s1",91.0112,67.89753,
10535,[C:1]([O:2]/[C:3](=[N:4]\[H:11])[N:5]([C:6](=[O:7])[H:13])[H:12])([H:8])([H:9])[H:10],[C:1]([N:4]([C:3](=[O:2])[N:5]([C:6](=[O:7])[H:13])[H:12])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C3H6N2O2/c1-7-3(4)5-2-6/h2H,1H3,(H2,4,5,6)","InChI=1S/C3H6N2O2/c1-4-3(7)5-2-6/h2H,1H3,(H2,4,5,6,7)",45.35937,-17.45553,ketoenol
10536,[C:1]([O:2]/[C:3](=[N:4]\[H:11])[N:5]([C:6](=[O:7])[H:13])[H:12])([H:8])([H:9])[H:10],[C:1]([O:7]/[C:6](=[N:5]\[H:12])[H:13])([H:8])([H:9])[H:10].[O:2]=[C:3]=[N:4][H:11],"InChI=1S/C3H6N2O2/c1-7-3(4)5-2-6/h2H,1H3,(H2,4,5,6)","InChI=1S/C2H5NO.CHNO/c1-4-2-3;2-1-3/h2-3H,1H3;2H/b3-2-;",76.89245,10.78989,
10537,[C:1]([O:2]/[C:3](=[N:4]\[H:11])[N:5]([C:6](=[O:7])[H:13])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][H:8])([C:6](=[O:7])[H:13])([H:9])[H:10].[C:3](=[N:4][H:11])=[N:5][H:12],"InChI=1S/C3H6N2O2/c1-7-3(4)5-2-6/h2H,1H3,(H2,4,5,6)","InChI=1S/C2H4O2.CH2N2/c3-1-2-4;2-1-3/h1,4H,2H2;2-3H",113.47668999999999,28.60466,
10538,[C:1]([O:2]/[C:3](=[N:4]\[H:11])[N:5]([C:6](=[O:7])[H:13])[H:12])([H:8])([H:9])[H:10],[C:1](=[O:2])([H:9])[H:10].[C:3](=[N:4][H:11])=[N:5][C:6](=[O:7])[H:13].[H:8][H:12],"InChI=1S/C3H6N2O2/c1-7-3(4)5-2-6/h2H,1H3,(H2,4,5,6)",InChI=1S/C2H2N2O.CH2O.H2/c3-1-4-2-5;1-2;/h2-3H;1H2;1H,67.2711,49.26579,
10539,[C:1]([O:2]/[C:3](=[N:4]\[H:11])[N:5]([C:6](=[O:7])[H:13])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]#[N:4])([H:8])([H:9])[H:10].[N:5]([C:6](=[O:7])[H:13])([H:11])[H:12],"InChI=1S/C3H6N2O2/c1-7-3(4)5-2-6/h2H,1H3,(H2,4,5,6)","InChI=1S/C2H3NO.CH3NO/c1-4-2-3;2-1-3/h1H3;1H,(H2,2,3)",66.70114000000001,25.73294,
10540,[C:1]([O:2]/[C:3](=[N:4]\[H:11])[N:5]([C:6](=[O:7])[H:13])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2]/[C:3]([N:4]([H:11])[H:12])=[N:5]\[C:6](=[O:7])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C3H6N2O2/c1-7-3(4)5-2-6/h2H,1H3,(H2,4,5,6)","InChI=1S/C3H6N2O2/c1-7-3(4)5-2-6/h2H,1H3,(H2,4,5,6)",40.53638,7.5335600000000005,
10541,[C:1]([O:2]/[C:3](=[N:4]\[H:11])[N:5]([C:6](=[O:7])[H:13])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C:3](=[N:4]\[H:11])/[N:5]=[C:6](/[O:7][H:12])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C3H6N2O2/c1-7-3(4)5-2-6/h2H,1H3,(H2,4,5,6)","InChI=1S/C3H6N2O2/c1-7-3(4)5-2-6/h2H,1H3,(H2,4,5,6)",40.80272,9.75825,ketoenol
10542,[C:1]([O:2]/[C:3](=[N:4]\[H:11])[N:5]([C:6](=[O:7])[H:13])[H:12])([H:8])([H:9])[H:10],[C-:6]#[O+:7].[C:1]([O:2][C+:3]([N:4]([H:11])[H:13])[N-:5][H:12])([H:8])([H:9])[H:10],"InChI=1S/C3H6N2O2/c1-7-3(4)5-2-6/h2H,1H3,(H2,4,5,6)","InChI=1S/C2H6N2O.CO/c1-5-2(3)4;1-2/h3H,4H2,1H3;",36.88851,15.40603,"1,2_Insertion_CO"
10543,[C:1]([O:2]/[C:3](=[N:4]\[H:11])[N:5]([C:6](=[O:7])[H:13])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C:6](=[O:7])[H:13])([H:8])([H:9])[H:10].[C:3](=[N:4][H:11])=[N:5][H:12],"InChI=1S/C3H6N2O2/c1-7-3(4)5-2-6/h2H,1H3,(H2,4,5,6)","InChI=1S/C2H4O2.CH2N2/c1-4-2-3;2-1-3/h2H,1H3;2-3H",52.493280000000006,14.635979999999998,
10544,[C:1]([O:2]/[C:3](=[N:4]\[H:11])[N:5]([C:6](=[O:7])[H:13])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][H:12])([H:8])([H:9])[H:10].[C:3](=[N:4][H:11])=[N:5][C:6](=[O:7])[H:13],"InChI=1S/C3H6N2O2/c1-7-3(4)5-2-6/h2H,1H3,(H2,4,5,6)","InChI=1S/C2H2N2O.CH4O/c3-1-4-2-5;1-2/h2-3H;2H,1H3",48.18397,26.415340000000004,
10545,[C:1]([O:2]/[C:3](=[N:4]\[H:11])[N:5]([C:6](=[O:7])[H:13])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2]/[C:3](=[N:4]\[H:11])[N+:5](=[C-:6][O:7][H:13])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C3H6N2O2/c1-7-3(4)5-2-6/h2H,1H3,(H2,4,5,6)","InChI=1S/C3H6N2O2/c1-7-3(4)5-2-6/h4-6H,1H3/b4-3-",77.61876,44.92393,
10546,[C:1]([O:2]/[C:3](=[N:4]\[H:11])[N:5]([C:6](=[O:7])[H:13])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2]/[C:3](=[N:4]\[H:11])[O:7]/[C:6](=[N:5]/[H:12])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C3H6N2O2/c1-7-3(4)5-2-6/h2H,1H3,(H2,4,5,6)","InChI=1S/C3H6N2O2/c1-6-3(5)7-2-4/h2,4-5H,1H3/b4-2+,5-3+",53.82958000000001,21.76988,ketoenol
10547,[C:1]([O:2]/[C:3](=[N:4]\[H:11])[N:5]([C:6](=[O:7])[H:13])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C@:3]12[N:4]([H:11])[O:7][C@@:6]1([H:13])[N:5]2[H:12])([H:8])([H:9])[H:10],"InChI=1S/C3H6N2O2/c1-7-3(4)5-2-6/h2H,1H3,(H2,4,5,6)","InChI=1S/C3H6N2O2/c1-6-3-2(4-3)7-5-3/h2,4-5H,1H3/t2-,3-/m1/s1",119.3923,102.16960999999999,
10548,[C:1]([O:2]/[C:3](=[N:4]\[H:11])[N:5]([C:6](=[O:7])[H:13])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][O:7][C:6]1([H:13])[N:4]([H:11])[C:3][N:5]1[H:12])([H:8])([H:9])[H:10],"InChI=1S/C3H6N2O2/c1-7-3(4)5-2-6/h2H,1H3,(H2,4,5,6)","InChI=1S/C3H6N2O2/c1-6-7-3-4-2-5-3/h3-5H,1H3",137.36685,134.32404,
10549,[C:1]([O:2]/[C:3](=[N:4]\[H:11])[N:5]([C:6](=[O:7])[H:13])[H:12])([H:8])([H:9])[H:10],[C:1]1([H:8])([H:10])[O:2]/[C:3](=[N:4]\[H:11])[N:5]([H:12])[C@:6]1([O:7][H:9])[H:13],"InChI=1S/C3H6N2O2/c1-7-3(4)5-2-6/h2H,1H3,(H2,4,5,6)","InChI=1S/C3H6N2O2/c4-3-5-2(6)1-7-3/h2,6H,1H2,(H2,4,5)/t2-/m0/s1",90.22248,5.32419,
10550,[C:1]([O:2]/[C:3](=[N:4]\[H:11])[N:5]([C:6](=[O:7])[H:13])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C@@:3]([N:4]([H:11])[H:13])([N:5]=[C:6]=[O:7])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C3H6N2O2/c1-7-3(4)5-2-6/h2H,1H3,(H2,4,5,6)","InChI=1S/C3H6N2O2/c1-7-3(4)5-2-6/h3H,4H2,1H3/t3-/m0/s1",92.47972,8.31371,
10551,[N:1]([C:2](=[O:3])[C:4]#[C:5][C:6]#[N:7])([H:8])[H:9],[N:1]([N:7]=[C:6]=[C:5]=[C:4]=[C:2]=[O:3])([H:8])[H:9],"InChI=1S/C4H2N2O/c5-3-1-2-4(6)7/h(H2,6,7)",InChI=1S/C4H2N2O/c5-6-3-1-2-4-7/h5H2,106.13038,49.32104,
10552,[N:1]([C:2](=[O:3])[C:4]#[C:5][C:6]#[N:7])([H:8])[H:9],[N:1]([C:2](=[O:3])[C:4](=[C:5])[C:6]#[N:7])([H:8])[H:9],"InChI=1S/C4H2N2O/c5-3-1-2-4(6)7/h(H2,6,7)","InChI=1S/C4H2N2O/c1-3(2-5)4(6)7/h(H2,6,7)",52.325179999999996,58.075140000000005,
10553,[N:1]([C:2](=[O:3])[C:4]#[C:5][C:6]#[N:7])([H:8])[H:9],[N:1]([C:2](=[O:3])[C:4](=[C-:5])[N+:7]#[C:6])([H:8])[H:9],"InChI=1S/C4H2N2O/c5-3-1-2-4(6)7/h(H2,6,7)","InChI=1S/C4HN2O/c1-3(6-2)4(5)7/h(H-,5,7)/q-1/p+1",92.78068,86.96219,
10554,[N:1]([C:2](=[O:3])[C:4]#[C:5][C:6]#[N:7])([H:8])[H:9],[N:1]([C:2](=[O:3])[C:4]#[C:5][N+:7]#[C-:6])([H:8])[H:9],"InChI=1S/C4H2N2O/c5-3-1-2-4(6)7/h(H2,6,7)","InChI=1S/C4H2N2O/c1-6-3-2-4(5)7/h(H2,5,7)",60.56329,29.68165,
10555,[N:1]([C:2](=[O:3])[C:4]#[C:5][C:6]#[N:7])([H:8])[H:9],[N:1]1([H:9])[C:2](=[O:3])[C:4]1=[C:5]=[C:6]=[N:7][H:8],"InChI=1S/C4H2N2O/c5-3-1-2-4(6)7/h(H2,6,7)","InChI=1S/C4H2N2O/c5-2-1-3-4(7)6-3/h5H,(H,6,7)",77.50513000000001,43.865990000000004,
10556,[N:1]([C:2](=[O:3])[C:4]#[C:5][C:6]#[N:7])([H:8])[H:9],[N:1]([C:2](=[O:3])[N+:7]#[C:6][C:5]#[C-:4])([H:8])[H:9],"InChI=1S/C4H2N2O/c5-3-1-2-4(6)7/h(H2,6,7)","InChI=1S/C4H2N2O/c1-2-3-6-4(5)7/h(H2,5,7)",95.15095,45.71705,
10557,[N:1]([C:2](=[O:3])[C:4]#[C:5][C:6]#[N:7])([H:8])[H:9],[N:1]([C:2]1=[C:4]=[C:5]1[C:6]#[N+:7][O-:3])([H:8])[H:9],"InChI=1S/C4H2N2O/c5-3-1-2-4(6)7/h(H2,6,7)",InChI=1S/C4H2N2O/c5-4-1-3(4)2-6-7/h5H2,144.51944,91.10598,
10558,[N:1]([C:2](=[O:3])[C:4]#[C:5][C:6]#[N:7])([H:8])[H:9],[N:1]([C-:2]=[O+:3][C:4]#[C:5][C:6]#[N:7])([H:8])[H:9],"InChI=1S/C4H2N2O/c5-3-1-2-4(6)7/h(H2,6,7)",InChI=1S/C4H2N2O/c5-2-1-3-7-4-6/h6H2,76.50086999999999,59.547709999999995,
10559,[N:1]([C:2](=[O:3])[C:4]#[C:5][C:6]#[N:7])([H:8])[H:9],[N:1]([C:2]#[C:4][C:5](=[O:3])[C:6]#[N:7])([H:8])[H:9],"InChI=1S/C4H2N2O/c5-3-1-2-4(6)7/h(H2,6,7)",InChI=1S/C4H2N2O/c5-2-1-4(7)3-6/h5H2,81.9817,17.88084,
10560,[N:1]([C:2](=[O:3])[C:4]#[C:5][C:6]#[N:7])([H:8])[H:9],[C:4](#[C:5][C:6]#[N:7])[H:9].[N:1](=[C:2]=[O:3])[H:8],"InChI=1S/C4H2N2O/c5-3-1-2-4(6)7/h(H2,6,7)",InChI=1S/C3HN.CHNO/c1-2-3-4;2-1-3/h1H;2H,58.34848,13.15184,
10561,[N:1]([C:2](=[O:3])[C:4]#[C:5][C:6]#[N:7])([H:8])[H:9],[N:1]([C:2](=[O+:3][C:6]#[N:7])[C:4]#[C-:5])([H:8])[H:9],"InChI=1S/C4H2N2O/c5-3-1-2-4(6)7/h(H2,6,7)",InChI=1S/C4H2N2O/c1-2-4(6)7-3-5/h6H2,104.17086,75.14594,
10562,[N:1]([C:2](=[O:3])[C:4]#[C:5][C:6]#[N:7])([H:8])[H:9],[N:1]([C:5](=[C:4]=[C:2]=[O:3])[C:6]#[N:7])([H:8])[H:9],"InChI=1S/C4H2N2O/c5-3-1-2-4(6)7/h(H2,6,7)",InChI=1S/C4H2N2O/c5-3-4(6)1-2-7/h6H2,60.60655,1.62513,
10563,[N:1]([C:2](=[O:3])[C:4]#[C:5][C:6]#[N:7])([H:8])[H:9],[N:1]([C:2](=[O:3])[C:4]1=[N:7][C:6]#[C:5]1)([H:8])[H:9],"InChI=1S/C4H2N2O/c5-3-1-2-4(6)7/h(H2,6,7)","InChI=1S/C4H2N2O/c5-4(7)3-1-2-6-3/h(H2,5,7)",99.2072,97.7134,
10564,[N:1]([C:2](=[O:3])[C:4]#[C:5][C:6]#[N:7])([H:8])[H:9],[C-:4]#[C:5][C+:6]=[N:7][H:8].[N:1](=[C:2]=[O:3])[H:9],"InChI=1S/C4H2N2O/c5-3-1-2-4(6)7/h(H2,6,7)",InChI=1S/C3HN.CHNO/c1-2-3-4;2-1-3/h4H;2H,71.60704,60.3802,
10565,[N:1]([C:2](=[O:3])[C:4]#[C:5][C:6]#[N:7])([H:8])[H:9],[C:2](#[O+:3])[C:5]#[C-:4].[N:1]([C:6]#[N:7])([H:8])[H:9],"InChI=1S/C4H2N2O/c5-3-1-2-4(6)7/h(H2,6,7)",InChI=1S/C3O.CH2N2/c1-2-3-4;2-1-3/h;2H2,103.97641,53.907709999999994,
10566,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[c:3]2[n:4][c:5]([H:12])[c:6]([H:13])[n:7]21,[C:1]1([H:8])([H:9])[C:2]([H:11])=[C:3]2[N:4]=[C:5]([H:12])[C:6]([H:10])([H:13])[N:7]12,"InChI=1S/C5H6N2/c1-3-7-4-2-6-5(1)7/h2,4H,1,3H2","InChI=1S/C5H6N2/c1-3-7-4-2-6-5(1)7/h1-2H,3-4H2",71.22613,29.93283,
10567,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[c:3]2[n:4][c:5]([H:12])[c:6]([H:13])[n:7]21,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])/[C:3](=[N:4]/[H:12])[N:7]1[C:6](=[C:5])[H:13],"InChI=1S/C5H6N2/c1-3-7-4-2-6-5(1)7/h2,4H,1,3H2","InChI=1S/C5H6N2/c1-2-7-4-3-5(7)6/h2,6H,3-4H2/b6-5-",76.80835,79.49699,
10568,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[c:3]2[n:4][c:5]([H:12])[c:6]([H:13])[n:7]21,[C@@:1]12([H:8])[C:2]([H:10])([H:11])[C@@:3]13[N:4]=[C:5]([H:12])[C:6]([H:9])([H:13])[N:7]23,"InChI=1S/C5H6N2/c1-3-7-4-2-6-5(1)7/h2,4H,1,3H2","InChI=1S/C5H6N2/c1-2-7-4-3-5(4,7)6-1/h1,4H,2-3H2/t4-,5+,7?/m1/s1",86.70357,49.51877,
10569,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[c:3]2[n:4][c:5]([H:12])[c:6]([H:13])[n:7]21,[C-:1]([N+:7]1=[C:6]([H:13])[C:5]([H:12])=[N:4][C:3]1=[C:2]([H:10])[H:11])([H:8])[H:9],"InChI=1S/C5H6N2/c1-3-7-4-2-6-5(1)7/h2,4H,1,3H2","InChI=1S/C5H6N2/c1-5-6-3-4-7(5)2/h3-4H,1-2H2",36.60552,15.826270000000001,
10570,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[c:3]2[n:4][c:5]([H:12])[c:6]([H:13])[n:7]21,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C@@:3]23[N:4]=[C:5]([H:12])[C@:6]2([H:13])[N:7]13,"InChI=1S/C5H6N2/c1-3-7-4-2-6-5(1)7/h2,4H,1,3H2","InChI=1S/C5H6N2/c1-2-7-4-3-6-5(1,4)7/h3-4H,1-2H2/t4-,5-,7?/m0/s1",86.44596,68.64398,
10571,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[c:3]2[n:4][c:5]([H:12])[c:6]([H:13])[n:7]21,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]([N:4]2[C:5]([H:12])=[C:6]2[H:13])=[N:7]1,"InChI=1S/C5H6N2/c1-3-7-4-2-6-5(1)7/h2,4H,1,3H2","InChI=1S/C5H6N2/c1-2-6-5(1)7-3-4-7/h3-4H,1-2H2",84.77866,78.25631,
10572,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[c:3]2[n:4][c:5]([H:12])[c:6]([H:13])[n:7]21,[C-:1]1([H:9])[C:2]([H:10])([H:11])[C@@:3]2([H:8])[N:4]=[C:5]([H:12])[C:6]([H:13])=[N+:7]12,"InChI=1S/C5H6N2/c1-3-7-4-2-6-5(1)7/h2,4H,1,3H2","InChI=1S/C5H6N2/c1-3-7-4-2-6-5(1)7/h2-5H,1H2/t5-/m0/s1",103.51274000000001,40.68397,
10573,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[c:3]2[n:4][c:5]([H:12])[c:6]([H:13])[n:7]21,[C-:1]1([H:9])[C:2]([H:10])([H:11])[c:3]2[n:4]([H:8])[c:5]([H:12])[c:6]([H:13])[n+:7]21,"InChI=1S/C5H6N2/c1-3-7-4-2-6-5(1)7/h2,4H,1,3H2","InChI=1S/C5H6N2/c1-3-7-4-2-6-5(1)7/h2-4,6H,1H2",95.43516,51.676109999999994,
10574,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[c:3]2[n:4][c:5]([H:12])[c:6]([H:13])[n:7]21,[C:1]1([H:8])([H:9])[C+:2]([H:10])[C@:3]2([H:11])[N-:4][C:5]([H:12])=[C:6]([H:13])[N:7]12,"InChI=1S/C5H6N2/c1-3-7-4-2-6-5(1)7/h2,4H,1,3H2","InChI=1S/C5H6N2/c1-3-7-4-2-6-5(1)7/h1-2,4-5H,3H2/t5-/m1/s1",73.03304,54.13273,
10575,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[c:3]2[n:4][c:5]([H:12])[c:6]([H:13])[n:7]21,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]12[N:4]=[C:5]([H:12])[C:6]([H:13])=[N:7]2,"InChI=1S/C5H6N2/c1-3-7-4-2-6-5(1)7/h2,4H,1,3H2","InChI=1S/C5H6N2/c1-2-5(1)6-3-4-7-5/h3-4H,1-2H2",22.3,-5.82632,
10576,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[c:3]2[n:4][c:5]([H:12])[c:6]([H:13])[n:7]21,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]2=[N+:4]=[C-:5][C:6]([H:12])([H:13])[N:7]12,"InChI=1S/C5H6N2/c1-3-7-4-2-6-5(1)7/h2,4H,1,3H2","InChI=1S/C5H6N2/c1-3-7-4-2-6-5(1)7/h1,3-4H2",73.10441,63.25155,Singlet_Carbene_Intra_Disproportionation
10577,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[c:3]2[n:4][c:5]([H:12])[c:6]([H:13])[n:7]21,[C:1]1([H:8])([H:9])[C:2]([H:11])=[C:3]2[N:4]([H:10])[C:5]([H:12])=[C:6]([H:13])[N:7]12,"InChI=1S/C5H6N2/c1-3-7-4-2-6-5(1)7/h2,4H,1,3H2","InChI=1S/C5H6N2/c1-3-7-4-2-6-5(1)7/h1-2,4,6H,3H2",86.68858,31.0572,
10578,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[c:3]2[n:4][c:5]([H:12])[c:6]([H:13])[n:7]21,[C-:1]1([H:9])[C:2]([H:10])([H:11])[C:3]2=[N+:7]1[C:6]([H:8])([H:13])[C:5]([H:12])=[N:4]2,"InChI=1S/C5H6N2/c1-3-7-4-2-6-5(1)7/h2,4H,1,3H2","InChI=1S/C5H6N2/c1-3-7-4-2-6-5(1)7/h2-3H,1,4H2",86.88512,53.97705,
10579,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[c:3]2[n:4][c:5]([H:12])[c:6]([H:13])[n:7]21,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[c+:3]2[n:4]([H:12])[c-:5][c:6]([H:13])[n:7]21,"InChI=1S/C5H6N2/c1-3-7-4-2-6-5(1)7/h2,4H,1,3H2","InChI=1S/C5H6N2/c1-3-7-4-2-6-5(1)7/h4,6H,1,3H2",79.09902,49.09329,
10580,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[c:3]2[n:4][c:5]([H:12])[c:6]([H:13])[n:7]21,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[N:7]1/[C:6](=[C:5](\[N+:4]#[C-:3])[H:12])[H:13],"InChI=1S/C5H6N2/c1-3-7-4-2-6-5(1)7/h2,4H,1,3H2","InChI=1S/C5H6N2/c1-6-2-3-7-4-5-7/h2-3H,4-5H2/b3-2-",72.85042,36.355129999999996,
10581,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[c:3]2[n:4][c:5]([H:12])[c:6]([H:13])[n:7]21,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]([N:4]=[C:5]=[C:6]([H:12])[H:13])=[N:7]1,"InChI=1S/C5H6N2/c1-3-7-4-2-6-5(1)7/h2,4H,1,3H2","InChI=1S/C5H6N2/c1-2-6-5-3-4-7-5/h1,3-4H2",82.31204,22.37996,
10582,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[c:3]2[n:4][c:5]([H:12])[c:6]([H:13])[n:7]21,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])/[C:3](=[N:4]/[C:5](=[C:6])[H:12])[N:7]1[H:13],"InChI=1S/C5H6N2/c1-3-7-4-2-6-5(1)7/h2,4H,1,3H2","InChI=1S/C5H6N2/c1-2-6-5-3-4-7-5/h2H,3-4H2,(H,6,7)",81.13996999999999,79.42416,
10583,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[c:3]2[n:4][c:5]([H:12])[c:6]([H:13])[n:7]21,[C-:1]1([H:8])[C:2]([H:10])([H:11])[C:3]2=[N:4][C:5]([H:9])([H:12])[C:6]([H:13])=[N+:7]12,"InChI=1S/C5H6N2/c1-3-7-4-2-6-5(1)7/h2,4H,1,3H2","InChI=1S/C5H6N2/c1-3-7-4-2-6-5(1)7/h3-4H,1-2H2",99.3344,45.874559999999995,
10584,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[c:3]2[n:4][c:5]([H:12])[c:6]([H:13])[n:7]21,[C-:1]1([H:8])[C:2]([H:10])([H:11])[C:3]2=[N:4][C:5]([H:12])=[C:6]=[N+:7]12.[H:9][H:13],"InChI=1S/C5H6N2/c1-3-7-4-2-6-5(1)7/h2,4H,1,3H2","InChI=1S/C5H4N2.H2/c1-3-7-4-2-6-5(1)7;/h2-3H,1H2;1H",120.78957,105.0994,
10585,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[c:3]2[n:4][c:5]([H:12])[c:6]([H:13])[n:7]21,[C:1]([C:2](=[C:3]1[N:4]=[C:5]([H:12])[C:6]([H:13])=[N:7]1)[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H6N2/c1-3-7-4-2-6-5(1)7/h2,4H,1,3H2","InChI=1S/C5H6N2/c1-2-5-6-3-4-7-5/h2-4H,1H3",39.19161,-17.517429999999997,
10586,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[c:3]2[n:4][c:5]([H:12])[c:6]([H:13])[n:7]21,[C:1]1([H:8])([H:9])[C-:2]([H:10])[N+:7]12[C:3]([H:11])=[N:4][C:5]([H:12])=[C:6]2[H:13],"InChI=1S/C5H6N2/c1-3-7-4-2-6-5(1)7/h2,4H,1,3H2","InChI=1S/C5H6N2/c1-2-7(3-4-7)5-6-1/h1-3,5H,4H2",76.69813,68.76631,
10587,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[c:3]2[n:4][c:5]([H:12])[c:6]([H:13])[n:7]21,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]#[N+:4][C:5]([H:12])=[C:6]([H:13])[N-:7]1,"InChI=1S/C5H6N2/c1-3-7-4-2-6-5(1)7/h2,4H,1,3H2","InChI=1S/C5H6N2/c1-2-6-4-5-7-3-1/h4-5H,1-2H2",39.6015,34.145590000000006,
10588,[O:1]([c:2]1[c:3]([H:9])[n:4][n:5][c:6]([H:10])[n:7]1)[H:8],[O:1]([C:3](=[C:2]=[N:7][C:6](=[N+:5]=[N-:4])[H:10])[H:9])[H:8],"InChI=1S/C3H3N3O/c7-3-1-5-6-2-4-3/h1-2H,(H,4,6,7)","InChI=1S/C3H3N3O/c4-6-3-5-1-2-7/h2-3,7H",90.81248000000001,56.44408000000001,
10589,[O:1]([c:2]1[c:3]([H:9])[n:4][n:5][c:6]([H:10])[n:7]1)[H:8],[O:1]([C:2]1=[C:3]=[N+:4]=[N:5][C:6]([H:9])([H:10])[N-:7]1)[H:8],"InChI=1S/C3H3N3O/c7-3-1-5-6-2-4-3/h1-2H,(H,4,6,7)","InChI=1S/C3H3N3O/c7-3-1-5-6-2-4-3/h2H2,(H-,4,6,7)",104.12178,72.01445,
10590,[O:1]([c:2]1[c:3]([H:9])[n:4][n:5][c:6]([H:10])[n:7]1)[H:8],[O:1]([C:2]1=[C:3]([H:9])[N-:4][N:5]=[C:6]=[N+:7]1[H:10])[H:8],"InChI=1S/C3H3N3O/c7-3-1-5-6-2-4-3/h1-2H,(H,4,6,7)","InChI=1S/C3H2N3O/c7-3-1-5-6-2-4-3/h1,7H/q-1/p+1",92.38311,59.0586,
10591,[O:1]([c:2]1[c:3]([H:9])[n:4][n:5][c:6]([H:10])[n:7]1)[H:8],[O:1]([C+:2]=[C:3]([N+:4]12[N-:5][C:6]1([H:10])[N-:7]2)[H:9])[H:8],"InChI=1S/C3H3N3O/c7-3-1-5-6-2-4-3/h1-2H,(H,4,6,7)","InChI=1S/C3H3N3O/c7-2-1-6-3(4-6)5-6/h1,3,7H",153.65575,138.56383,
10592,[O:1]([c:2]1[c:3]([H:9])[n:4][n:5][c:6]([H:10])[n:7]1)[H:8],[O:1]([C:2]1=[N:7][C:6]([H:10])=[N:5][C:3]1=[N:4][H:9])[H:8],"InChI=1S/C3H3N3O/c7-3-1-5-6-2-4-3/h1-2H,(H,4,6,7)","InChI=1S/C3H3N3O/c4-2-3(7)6-1-5-2/h1H,(H2,4,5,6,7)",118.32876,-0.69163,
10593,[O:1]([c:2]1[c:3]([H:9])[n:4][n:5][c:6]([H:10])[n:7]1)[H:8],[O:1]([C:2](/[C:3](=[N:4]\[N+:5]#[C-:6])[H:9])=[N:7]/[H:10])[H:8],"InChI=1S/C3H3N3O/c7-3-1-5-6-2-4-3/h1-2H,(H,4,6,7)","InChI=1S/C3H3N3O/c1-5-6-2-3(4)7/h2H,(H2,4,7)/b6-2-",84.34348,46.82355,
10594,[O:1]([c:2]1[c:3]([H:9])[n:4][n:5][c:6]([H:10])[n:7]1)[H:8],[O:1]=[C:2]1[C:3]([H:8])([H:9])[N:4]=[N:5][C:6]([H:10])=[N:7]1,"InChI=1S/C3H3N3O/c7-3-1-5-6-2-4-3/h1-2H,(H,4,6,7)","InChI=1S/C3H3N3O/c7-3-1-5-6-2-4-3/h2H,1H2",63.210730000000005,34.49507,ketoenol
10595,[O:1]([c:2]1[c:3]([H:9])[n:4][n:5][c:6]([H:10])[n:7]1)[H:8],[C:6](#[N:7])[H:10].[N:4]#[N:5].[O:1]([C:2]#[C:3][H:9])[H:8],"InChI=1S/C3H3N3O/c7-3-1-5-6-2-4-3/h1-2H,(H,4,6,7)","InChI=1S/C2H2O.CHN.N2/c1-2-3;2*1-2/h1,3H;1H;",77.07885,39.0238,
10596,[O:1]([c:2]1[c:3]([H:9])[n:4][n:5][c:6]([H:10])[n:7]1)[H:8],[H:8][H:9].[O-:1][C:2]1=[C:3]=[N+:4]=[N:5][C:6]([H:10])=[N:7]1,"InChI=1S/C3H3N3O/c7-3-1-5-6-2-4-3/h1-2H,(H,4,6,7)",InChI=1S/C3HN3O.H2/c7-3-1-5-6-2-4-3;/h2H;1H,67.63696999999999,70.5388,
10597,[O:1]([c:2]1[c:3]([H:9])[n:4][n:5][c:6]([H:10])[n:7]1)[H:8],[O:1]([N+:5]1=[C:6]([H:10])[N:7]=[C:2]=[C:3]([H:9])[N-:4]1)[H:8],"InChI=1S/C3H3N3O/c7-3-1-5-6-2-4-3/h1-2H,(H,4,6,7)","InChI=1S/C3H3N3O/c7-6-3-4-1-2-5-6/h2-3,7H",146.1455,101.39709,
10598,[O:1]([c:2]1[c:3]([H:9])[n:4][n:5][c:6]([H:10])[n:7]1)[H:8],[O:1]([C:2]1=[N:7][C@:3]1([N-:4][N+:5]#[C:6][H:10])[H:9])[H:8],"InChI=1S/C3H3N3O/c7-3-1-5-6-2-4-3/h1-2H,(H,4,6,7)","InChI=1S/C3H3N3O/c1-4-6-2-3(7)5-2/h1-2H,(H,5,7)/t2-/m0/s1",90.89565,81.81745,
10599,[O:1]([c:2]1[c:3]([H:9])[n:4][n:5][c:6]([H:10])[n:7]1)[H:8],[O:1]([C:2]1[C:3]([H:9])=[N:4][C:6](=[N:5][H:10])[N:7]=1)[H:8],"InChI=1S/C3H3N3O/c7-3-1-5-6-2-4-3/h1-2H,(H,4,6,7)","InChI=1S/C3H3N3O/c4-3-5-1-2(7)6-3/h1H,(H2,4,6,7)",101.28086,-4.25099,
10600,[O:1]([c:2]1[c:3]([H:9])[n:4][n:5][c:6]([H:10])[n:7]1)[H:8],[O:1]=[c:2]1[c:3]([H:9])[n:4][n:5]([H:8])[c:6]([H:10])[n:7]1,"InChI=1S/C3H3N3O/c7-3-1-5-6-2-4-3/h1-2H,(H,4,6,7)","InChI=1S/C3H3N3O/c7-3-1-5-6-2-4-3/h1-2H,(H,4,6,7)",82.27284,1.9856,
10601,[O:1]([c:2]1[c:3]([H:9])[n:4][n:5][c:6]([H:10])[n:7]1)[H:8],[O:1]([C:2](=[C:3]([N:4]=[N-:5])[H:9])[N+:7]#[C:6][H:10])[H:8],"InChI=1S/C3H3N3O/c7-3-1-5-6-2-4-3/h1-2H,(H,4,6,7)","InChI=1S/C3H3N3O/c1-5-3(7)2-6-4/h1-2,7H",66.24122,68.93569000000001,
10602,[O:1]([c:2]1[c:3]([H:9])[n:4][n:5][c:6]([H:10])[n:7]1)[H:8],[O:1]([C@:2]12[C:3]([H:9])=[N:4][N:5]1[C:6]([H:10])=[N:7]2)[H:8],"InChI=1S/C3H3N3O/c7-3-1-5-6-2-4-3/h1-2H,(H,4,6,7)","InChI=1S/C3H3N3O/c7-3-1-5-6(3)2-4-3/h1-2,7H/t3-/m0/s1",86.15193000000001,72.51649,
10603,[O:1]([c:2]1[c:3]([H:9])[n:4][n:5][c:6]([H:10])[n:7]1)[H:8],[O:1]([C:2]1=[C:3]([H:9])[N-:4][N+:5]([H:10])=[C:6]=[N:7]1)[H:8],"InChI=1S/C3H3N3O/c7-3-1-5-6-2-4-3/h1-2H,(H,4,6,7)","InChI=1S/C3H3N3O/c7-3-1-5-6-2-4-3/h1,6-7H",79.70675,36.9047,
10604,[O:1]([c:2]1[c:3]([H:9])[n:4][n:5][c:6]([H:10])[n:7]1)[H:8],[O:1]([C:2]1=[C:3]=[N:4][N:5]=[C:6]([H:10])[N:7]1[H:9])[H:8],"InChI=1S/C3H3N3O/c7-3-1-5-6-2-4-3/h1-2H,(H,4,6,7)","InChI=1S/C3H3N3O/c7-3-1-5-6-2-4-3/h2,7H,(H,4,6)",122.97748999999999,65.37995,
10605,[O:1]([c:2]1[c:3]([H:9])[n:4][n:5][c:6]([H:10])[n:7]1)[H:8],[O:1](/[C:2](=[C:3](/[N:4]=[N:5]\[H:10])[H:9])[N+:7]#[C-:6])[H:8],"InChI=1S/C3H3N3O/c7-3-1-5-6-2-4-3/h1-2H,(H,4,6,7)","InChI=1S/C3H3N3O/c1-5-3(7)2-6-4/h2,4,7H/b3-2+,6-4-",80.46647,67.94431999999999,
10606,[O:1]([c:2]1[c:3]([H:9])[n:4][n:5][c:6]([H:10])[n:7]1)[H:8],[O:1]=[c:2]1[c:3]([H:9])[n:4][n:5][c:6]([H:10])[n:7]1[H:8],"InChI=1S/C3H3N3O/c7-3-1-5-6-2-4-3/h1-2H,(H,4,6,7)","InChI=1S/C3H3N3O/c7-3-1-5-6-2-4-3/h1-2H,(H,4,6,7)",30.31348,1.21042,
10607,[O:1]([c:2]1[c:3]([H:9])[n:4][n:5][c:6]([H:10])[n:7]1)[H:8],[O:1]([C:2]1=[C:3]=[N+:4]([H:9])[N-:5][C:6]([H:10])=[N:7]1)[H:8],"InChI=1S/C3H3N3O/c7-3-1-5-6-2-4-3/h1-2H,(H,4,6,7)","InChI=1S/C3H3N3O/c7-3-1-5-6-2-4-3/h2,5H,(H-,4,6,7)",79.63084,32.35273,
10608,[O:1]([c:2]1[c:3]([H:9])[n:4][n:5][c:6]([H:10])[n:7]1)[H:8],[O:1]([C@@:2]1([C:3](=[N+:4]=[N-:5])[H:9])[C:6]([H:10])=[N:7]1)[H:8],"InChI=1S/C3H3N3O/c7-3-1-5-6-2-4-3/h1-2H,(H,4,6,7)","InChI=1S/C3H3N3O/c4-6-2-3(7)1-5-3/h1-2,7H/t3-/m1/s1",87.76371,66.86922,
10609,[O:1]([c:2]1[c:3]([H:9])[n:4][n:5][c:6]([H:10])[n:7]1)[H:8],[O:1]([C:2]#[N+:7][C-:6]([N-:5][N+:4]#[C:3][H:9])[H:10])[H:8],"InChI=1S/C3H3N3O/c7-3-1-5-6-2-4-3/h1-2H,(H,4,6,7)","InChI=1S/C3H3N3O/c1-4-6-2-5-3-7/h1-2,7H",90.24016,87.57976,
10610,[O:1]([c:2]1[c:3]([H:9])[n:4][n:5][c:6]([H:10])[n:7]1)[H:8],[O:1]([C@@:3]1([H:9])[C:2]#[N+:7][C:6]([H:10])=[N:5][N-:4]1)[H:8],"InChI=1S/C3H3N3O/c7-3-1-5-6-2-4-3/h1-2H,(H,4,6,7)","InChI=1S/C3H3N3O/c7-3-1-4-2-5-6-3/h2-3,7H/t3-/m0/s1",90.80034,60.504709999999996,
10611,[O:1]([c:2]1[c:3]([H:9])[n:4][n:5][c:6]([H:10])[n:7]1)[H:8],[O:1]([C:2]1=[C:3]([H:9])[N:4]=[N:5]/[C:6]1=[N:7]\[H:10])[H:8],"InChI=1S/C3H3N3O/c7-3-1-5-6-2-4-3/h1-2H,(H,4,6,7)","InChI=1S/C3H3N3O/c4-3-2(7)1-5-6-3/h1H,(H2,4,6,7)",137.4116,31.42415,
10612,[O:1]([c:2]1[c:3]([H:9])[n:4][n:5][c:6]([H:10])[n:7]1)[H:8],[O:1]([C:2]1=[C:3]([H:9])[N+:4](=[N-:5])[C:6]([H:10])=[N:7]1)[H:8],"InChI=1S/C3H3N3O/c7-3-1-5-6-2-4-3/h1-2H,(H,4,6,7)","InChI=1S/C3H3N3O/c4-6-1-3(7)5-2-6/h1-2,7H",71.32083,60.73106,
10613,[O:1]([c:2]1[c:3]([H:9])[n:4][n:5][c:6]([H:10])[n:7]1)[H:8],[C:3](#[N:4])[H:9].[N:5]#[C:6][H:10].[O:1]([C:2]#[N:7])[H:8],"InChI=1S/C3H3N3O/c7-3-1-5-6-2-4-3/h1-2H,(H,4,6,7)",InChI=1S/CHNO.2CHN/c2-1-3;2*1-2/h3H;2*1H,80.46284,40.69458,
10614,[O:1]([c:2]1[c:3]([H:9])[n:4][n:5][c:6]([H:10])[n:7]1)[H:8],[O:1](/[C:2](=[N:7]/[C:6](=[N:5]\[N+:4]#[C-:3])[H:10])[H:9])[H:8],"InChI=1S/C3H3N3O/c7-3-1-5-6-2-4-3/h1-2H,(H,4,6,7)","InChI=1S/C3H3N3O/c1-4-6-2-5-3-7/h2-3H,(H,5,6,7)",88.40785,45.16602,
10615,[O:1]([c:2]1[c:3]([H:9])[n:4][n:5][c:6]([H:10])[n:7]1)[H:8],[O:1]([N:4]1[C:3]([H:9])=[C:2]=[N:7][C:6]([H:10])=[N:5]1)[H:8],"InChI=1S/C3H3N3O/c7-3-1-5-6-2-4-3/h1-2H,(H,4,6,7)","InChI=1S/C3H3N3O/c7-6-2-1-4-3-5-6/h2-3,7H",112.17268999999999,92.0084,
10616,[O:1]([c:2]1[c:3]([H:9])[n:4][n:5][c:6]([H:10])[n:7]1)[H:8],[O:1]([H:8])[H:9].[c:2]1[n:7][c:6]([H:10])[n:5][n:4][c:3]#1,"InChI=1S/C3H3N3O/c7-3-1-5-6-2-4-3/h1-2H,(H,4,6,7)",InChI=1S/C3HN3.H2O/c1-2-5-6-3-4-1;/h3H;1H2,96.73864,101.17999,
10617,[O:1]([c:2]1[c:3]([H:9])[n:4][n:5][c:6]([H:10])[n:7]1)[H:8],[O:1]([c:2]1[c:3]([H:9])[n:4]2[n:5][c:6]([H:10])[n:7]12)[H:8],"InChI=1S/C3H3N3O/c7-3-1-5-6-2-4-3/h1-2H,(H,4,6,7)","InChI=1S/C3H3N3O/c7-3-1-6-4-2-5(3)6/h1-2,7H",109.40088999999999,95.8608,
10618,[O:1]([c:2]1[c:3]([H:9])[n:4][n:5][c:6]([H:10])[n:7]1)[H:8],[C:6](#[N:7])[H:10].[O:1]([C:2][C-:3]([N+:4]#[N:5])[H:9])[H:8],"InChI=1S/C3H3N3O/c7-3-1-5-6-2-4-3/h1-2H,(H,4,6,7)","InChI=1S/C2H2N2O.CHN/c3-4-1-2-5;1-2/h1,5H;1H",77.14851,78.80314,
10619,[O:1]([c:2]1[c:3]([H:9])[n:4][n:5][c:6]([H:10])[n:7]1)[H:8],[O:1]([N:7]=[C:2]1[C:3]([H:9])=[N:4][N:5]=[C:6]1[H:10])[H:8],"InChI=1S/C3H3N3O/c7-3-1-5-6-2-4-3/h1-2H,(H,4,6,7)","InChI=1S/C3H3N3O/c7-6-3-1-4-5-2-3/h1-2,7H",133.6877,56.80234,
10620,[C:1]([C:2]([c:3]1[c:4]([H:13])[n:5]([H:14])[n:6][n:7]1)([H:11])[H:12])([H:8])([H:9])[H:10],[C@:1]12([H:9])[C:2]([H:11])([H:12])[C@@:3]13[C@:4]2([H:13])[N:5]([H:14])[N:6]=[N:7]3.[H:8][H:10],"InChI=1S/C4H7N3/c1-2-4-3-5-7-6-4/h3H,2H2,1H3,(H,5,6,7)","InChI=1S/C4H5N3.H2/c1-2-3-4(1,2)6-7-5-3;/h2-3H,1H2,(H,5,6);1H/t2-,3-,4+;/m1./s1",101.46885999999999,82.84814,
10621,[C:1]([C:2]([c:3]1[c:4]([H:13])[n:5]([H:14])[n:6][n:7]1)([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3](=[C+:4][N:5]([H:13])[H:14])[N:7]=[N-:6])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H7N3/c1-2-4-3-5-7-6-4/h3H,2H2,1H3,(H,5,6,7)","InChI=1S/C4H7N3/c1-2-4(3-5)7-6/h2,5H2,1H3",86.38476,31.931440000000002,
10622,[C:1]([C:2]([c:3]1[c:4]([H:13])[n:5]([H:14])[n:6][n:7]1)([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@:4]1([H:13])[C:3]#[N+:7][N-:6][N:5]1[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H7N3/c1-2-4-3-5-7-6-4/h3H,2H2,1H3,(H,5,6,7)","InChI=1S/C4H7N3/c1-2-4-3-5-7-6-4/h4,6H,2H2,1H3/t4-/m1/s1",92.46198000000001,74.95028,
10623,[C:1]([C:2]([c:3]1[c:4]([H:13])[n:5]([H:14])[n:6][n:7]1)([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([c:3]1[c:4]([H:13])[n:5][n:6]([H:14])[n:7]1)([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H7N3/c1-2-4-3-5-7-6-4/h3H,2H2,1H3,(H,5,6,7)","InChI=1S/C4H7N3/c1-2-4-3-5-7-6-4/h3H,2H2,1H3,(H,5,6,7)",43.075179999999996,-7.30576,
10624,[C:1]([C:2]([c:3]1[c:4]([H:13])[n:5]([H:14])[n:6][n:7]1)([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:3]1/[C:4]([H:11])([H:13])[N:5]([H:14])[N:6]=[N:7]1)[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H7N3/c1-2-4-3-5-7-6-4/h3H,2H2,1H3,(H,5,6,7)","InChI=1S/C4H7N3/c1-2-4-3-5-7-6-4/h2H,3H2,1H3,(H,5,6)/b4-2-",91.9374,21.93374,
10625,[C:1]([C:2]([c:3]1[c:4]([H:13])[n:5]([H:14])[n:6][n:7]1)([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]1=[N:7][N:6]=[N:5][C:4]1([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H7N3/c1-2-4-3-5-7-6-4/h3H,2H2,1H3,(H,5,6,7)","InChI=1S/C4H7N3/c1-2-4-3-5-7-6-4/h2-3H2,1H3",50.06285,21.83069,
10626,[C:1]([C:2]([c:3]1[c:4]([H:13])[n:5]([H:14])[n:6][n:7]1)([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3](=[C:4]=[N:5][H:14])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10].[N:6]#[N:7],"InChI=1S/C4H7N3/c1-2-4-3-5-7-6-4/h3H,2H2,1H3,(H,5,6,7)","InChI=1S/C4H7N.N2/c1-2-3-4-5;1-2/h3,5H,2H2,1H3;",49.71094,-17.93122,
10627,[C:1]([C:2]([c:3]1[c:4]([H:13])[n:5]([H:14])[n:6][n:7]1)([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([N:7]=[C:3]=[C:4]([N:5]([N:6])[H:14])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H7N3/c1-2-4-3-5-7-6-4/h3H,2H2,1H3,(H,5,6,7)","InChI=1S/C4H7N3/c1-2-6-3-4-7-5/h4,7H,2H2,1H3",98.10891,58.7912,
10628,[C:1]([C:2]([c:3]1[c:4]([H:13])[n:5]([H:14])[n:6][n:7]1)([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([N:7]1[C:3](=[C:2]([H:11])[H:12])[C+:4]([H:13])[N:5]([H:14])[N-:6]1)([H:8])([H:9])[H:10],"InChI=1S/C4H7N3/c1-2-4-3-5-7-6-4/h3H,2H2,1H3,(H,5,6,7)","InChI=1S/C4H7N3/c1-4-3-5-6-7(4)2/h3,5H,1H2,2H3",92.47388000000001,40.85504,
10629,[C:1]([C:2]([c:3]1[c:4]([H:13])[n:5]([H:14])[n:6][n:7]1)([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]1[C+:4]([H:13])[N:5]([H:14])[N-:6][N:7]1[H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H7N3/c1-2-4-3-5-7-6-4/h3H,2H2,1H3,(H,5,6,7)","InChI=1S/C4H7N3/c1-2-4-3-5-7-6-4/h2-3,5-6H,1H3",76.92,39.03398,
10630,[C:1]([C:2]([c:3]1[c:4]([H:13])[n:5]([H:14])[n:6][n:7]1)([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]#[C:4][H:13])([H:11])[H:12])([H:8])([H:9])[H:10].[N:5](=[N+:6]=[N-:7])[H:14],"InChI=1S/C4H7N3/c1-2-4-3-5-7-6-4/h3H,2H2,1H3,(H,5,6,7)","InChI=1S/C4H6.HN3/c1-3-4-2;1-3-2/h1H,4H2,2H3;1H",71.85463,59.31091,
10631,[C:1]([C:2]([c:3]1[c:4]([H:13])[n:5]([H:14])[n:6][n:7]1)([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:4](=[C:3]=[N:7][N:6]=[N:5][H:14])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H7N3/c1-2-4-3-5-7-6-4/h3H,2H2,1H3,(H,5,6,7)","InChI=1S/C4H7N3/c1-2-3-4-6-7-5/h3,5H,2H2,1H3",108.43337,50.31192,
10632,[C:1]([C:2]([c:3]1[c:4]([H:13])[n:5]([H:14])[n:6][n:7]1)([H:11])[H:12])([H:8])([H:9])[H:10],[C-:2](=[C:3]1[C:4]([H:13])=[N+:5]([H:14])[N:6]=[N:7]1)[H:12].[C:1]([H:8])([H:9])([H:10])[H:11],"InChI=1S/C4H7N3/c1-2-4-3-5-7-6-4/h3H,2H2,1H3,(H,5,6,7)",InChI=1S/C3H2N3.CH4/c1-3-2-4-6-5-3;/h1-2H;1H4/q-1;/p+1,82.53591999999999,87.49618000000001,
10633,[C:1]([C:2]([c:3]1[c:4]([H:13])[n:5]([H:14])[n:6][n:7]1)([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([N+:7]1=[C:3]=[C:4]([H:13])[N:5]([H:14])[N-:6]1)([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H7N3/c1-2-4-3-5-7-6-4/h3H,2H2,1H3,(H,5,6,7)","InChI=1S/C4H7N3/c1-2-7-4-3-5-6-7/h3,5H,2H2,1H3",97.55541,40.36007,
10634,[C:1]([C:2]([c:3]1[c:4]([H:13])[n:5]([H:14])[n:6][n:7]1)([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C-:3](/[C:4](=[N:5]/[H:14])[H:13])[N+:7]#[N:6])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H7N3/c1-2-4-3-5-7-6-4/h3H,2H2,1H3,(H,5,6,7)","InChI=1S/C4H7N3/c1-2-4(3-5)7-6/h3,5H,2H2,1H3/b5-3+",21.758329999999997,9.83407,
10635,[C:1]([C:2]([c:3]1[c:4]([H:13])[n:5]([H:14])[n:6][n:7]1)([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]1=[C:4]([H:13])[N:7]1/[N:6]=[N:5]/[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H7N3/c1-2-4-3-5-7-6-4/h3H,2H2,1H3,(H,5,6,7)","InChI=1S/C4H7N3/c1-2-4-3-7(4)6-5/h3,5H,2H2,1H3/b6-5+",95.6918,90.12621,
10636,[C:1]([C:2]([c:3]1[c:4]([H:13])[n:5]([H:14])[n:6][n:7]1)([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C-:3]([N+:7]#[N:6])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10].[C:4]=[N:5][H:14],"InChI=1S/C4H7N3/c1-2-4-3-5-7-6-4/h3H,2H2,1H3,(H,5,6,7)","InChI=1S/C3H6N2.CHN/c1-2-3-5-4;1-2/h3H,2H2,1H3;2H",91.97406,49.09818,
10637,[N:1](=[C:2]1\[O:3][C:4]([H:9])([H:10])[C@@:5]12[C:6]([H:11])([H:12])[N:7]2[H:13])\[H:8],[N:1](=[C:2]1\[O:3][C:4]([H:9])([H:10])[C-:5]2[C:6]([H:11])([H:12])[N+:7]12[H:13])\[H:8],"InChI=1S/C4H6N2O/c5-3-4(1-6-4)2-7-3/h5-6H,1-2H2/b5-3-/t4-/m0/s1","InChI=1S/C4H6N2O/c5-4-6-1-3(6)2-7-4/h5-6H,1-2H2/b5-4-",71.53949,36.20247,
10638,[N:1](=[C:2]1\[O:3][C:4]([H:9])([H:10])[C@@:5]12[C:6]([H:11])([H:12])[N:7]2[H:13])\[H:8],[N:1](=[C:2]1\[O:3][C:4]([H:9])([H:10])[C:5][N:7]([H:13])[C:6]1([H:11])[H:12])\[H:8],"InChI=1S/C4H6N2O/c5-3-4(1-6-4)2-7-3/h5-6H,1-2H2/b5-3-/t4-/m0/s1","InChI=1S/C4H6N2O/c5-4-3-6-1-2-7-4/h5-6H,2-3H2/b5-4-",67.77165,11.20682,
10639,[N:1](=[C:2]1\[O:3][C:4]([H:9])([H:10])[C@@:5]12[C:6]([H:11])([H:12])[N:7]2[H:13])\[H:8],[N:1]([C:2]1=[O+:3][C:4]([H:9])([H:10])[C@@:5]12[C:6]([H:11])([H:12])[N-:7]2)([H:8])[H:13],"InChI=1S/C4H6N2O/c5-3-4(1-6-4)2-7-3/h5-6H,1-2H2/b5-3-/t4-/m0/s1","InChI=1S/C4H6N2O/c5-3-4(1-6-4)2-7-3/h1-2,5H2/t4-/m0/s1",47.69359,42.14353,
10640,[N:1](=[C:2]1\[O:3][C:4]([H:9])([H:10])[C@@:5]12[C:6]([H:11])([H:12])[N:7]2[H:13])\[H:8],[N:1](=[C:2]1\[O:3][C:4]([H:9])([H:10])[C@@:5]1([N:7]([C:6][H:12])[H:13])[H:11])\[H:8],"InChI=1S/C4H6N2O/c5-3-4(1-6-4)2-7-3/h5-6H,1-2H2/b5-3-/t4-/m0/s1","InChI=1S/C4H6N2O/c1-6-3-2-7-4(3)5/h1,3,5-6H,2H2/b5-4-/t3-/m0/s1",72.36024,35.83886,
10641,[N:1](=[C:2]1\[O:3][C:4]([H:9])([H:10])[C@@:5]12[C:6]([H:11])([H:12])[N:7]2[H:13])\[H:8],[N:1]([C:2]1=[O+:3][C-:4]([H:10])[C@@:5]12[C:6]([H:11])([H:12])[N:7]2[H:13])([H:8])[H:9],"InChI=1S/C4H6N2O/c5-3-4(1-6-4)2-7-3/h5-6H,1-2H2/b5-3-/t4-/m0/s1","InChI=1S/C4H6N2O/c5-3-4(1-6-4)2-7-3/h2,6H,1,5H2/t4-/m0/s1",96.12246999999999,64.3203,
10642,[N:1](=[C:2]1\[O:3][C:4]([H:9])([H:10])[C@@:5]12[C:6]([H:11])([H:12])[N:7]2[H:13])\[H:8],[N:1](=[C:2]1\[O:3][C:4]([H:9])([H:10])[C@@:5]12[C-:6]([H:11])[N+:7]2([H:12])[H:13])\[H:8],"InChI=1S/C4H6N2O/c5-3-4(1-6-4)2-7-3/h5-6H,1-2H2/b5-3-/t4-/m0/s1","InChI=1S/C4H6N2O/c5-3-4(1-6-4)2-7-3/h1,5H,2,6H2/b5-3-/t4-/m0/s1",61.92616999999999,52.13292,
10643,[N:1](=[C:2]1\[O:3][C:4]([H:9])([H:10])[C@@:5]12[C:6]([H:11])([H:12])[N:7]2[H:13])\[H:8],[N:1](=[C:2](\[O:3][H:9])[C:5]1=[C:4]([H:10])[C:6]([H:11])([H:12])[N:7]1[H:13])\[H:8],"InChI=1S/C4H6N2O/c5-3-4(1-6-4)2-7-3/h5-6H,1-2H2/b5-3-/t4-/m0/s1","InChI=1S/C4H6N2O/c5-4(7)3-1-2-6-3/h1,6H,2H2,(H2,5,7)",76.95985999999999,-9.16715,
10644,[N:1](=[C:2]1\[O:3][C:4]([H:9])([H:10])[C@@:5]12[C:6]([H:11])([H:12])[N:7]2[H:13])\[H:8],[H:9][H:10].[N:1](=[C:2]1\[O+:3]=[C-:4][C@@:5]12[C:6]([H:11])([H:12])[N:7]2[H:13])\[H:8],"InChI=1S/C4H6N2O/c5-3-4(1-6-4)2-7-3/h5-6H,1-2H2/b5-3-/t4-/m0/s1","InChI=1S/C4H4N2O.H2/c5-3-4(1-6-4)2-7-3;/h5-6H,1H2;1H/b5-3-;/t4-;/m0./s1",84.37724,78.66938,
10645,[N:1](=[C:2]1\[O:3][C:4]([H:9])([H:10])[C@@:5]12[C:6]([H:11])([H:12])[N:7]2[H:13])\[H:8],[N-:1]([C:2]1=[C:5]([N:7]([C+:6]([H:11])[H:12])[H:13])[C:4]([H:9])([H:10])[O:3]1)[H:8],"InChI=1S/C4H6N2O/c5-3-4(1-6-4)2-7-3/h5-6H,1-2H2/b5-3-/t4-/m0/s1","InChI=1S/C4H6N2O/c1-6-3-2-7-4(3)5/h5-6H,1-2H2",36.341809999999995,14.475729999999999,
10646,[N:1](=[C:2]1\[O:3][C:4]([H:9])([H:10])[C@@:5]12[C:6]([H:11])([H:12])[N:7]2[H:13])\[H:8],[N:1](=[C:2]1\[O:3][C:4]([H:9])([H:10])[C:5][C:6]([H:11])([H:12])[N:7]1[H:13])\[H:8],"InChI=1S/C4H6N2O/c5-3-4(1-6-4)2-7-3/h5-6H,1-2H2/b5-3-/t4-/m0/s1","InChI=1S/C4H6N2O/c5-4-6-2-1-3-7-4/h2-3H2,(H2,5,6)",71.55187,39.53946,
10647,[N:1](=[C:2]1\[O:3][C:4]([H:9])([H:10])[C@@:5]12[C:6]([H:11])([H:12])[N:7]2[H:13])\[H:8],[N:1](=[C:2]1\[O:3][C:4]([H:9])([H:10])/[C:5](=[N:7]/[H:13])[C:6]1([H:11])[H:12])\[H:8],"InChI=1S/C4H6N2O/c5-3-4(1-6-4)2-7-3/h5-6H,1-2H2/b5-3-/t4-/m0/s1","InChI=1S/C4H6N2O/c5-3-1-4(6)7-2-3/h5-6H,1-2H2/b5-3+,6-4-",67.77806,-34.92099,
10648,[N:1](=[C:2]1\[O:3][C:4]([H:9])([H:10])[C@@:5]12[C:6]([H:11])([H:12])[N:7]2[H:13])\[H:8],[N:1]#[C:2][C@@:5]1([C:4]([O:3][H:8])([H:9])[H:10])[C:6]([H:11])([H:12])[N:7]1[H:13],"InChI=1S/C4H6N2O/c5-3-4(1-6-4)2-7-3/h5-6H,1-2H2/b5-3-/t4-/m0/s1","InChI=1S/C4H6N2O/c5-1-4(3-7)2-6-4/h6-7H,2-3H2/t4-/m0/s1",63.18128000000001,-8.468160000000001,
10649,[N:1](=[C:2]1\[O:3][C:4]([H:9])([H:10])[C@@:5]12[C:6]([H:11])([H:12])[N:7]2[H:13])\[H:8],[N:1](=[C:2]1\[O:3][C:4]([H:9])=[C:5]1[N:7]([C:6]([H:10])([H:11])[H:12])[H:13])\[H:8],"InChI=1S/C4H6N2O/c5-3-4(1-6-4)2-7-3/h5-6H,1-2H2/b5-3-/t4-/m0/s1","InChI=1S/C4H6N2O/c1-6-3-2-7-4(3)5/h2,5-6H,1H3/b5-4-",104.82642,3.7464199999999996,
10650,[N:1](=[C:2]1\[O:3][C:4]([H:9])([H:10])[C@@:5]12[C:6]([H:11])([H:12])[N:7]2[H:13])\[H:8],[N:1](=[C:2]1\[O:3][C:4]([H:9])([H:10])[C@:5]1([N:7]=[C:6]([H:11])[H:12])[H:13])\[H:8],"InChI=1S/C4H6N2O/c5-3-4(1-6-4)2-7-3/h5-6H,1-2H2/b5-3-/t4-/m0/s1","InChI=1S/C4H6N2O/c1-6-3-2-7-4(3)5/h3,5H,1-2H2/b5-4-/t3-/m1/s1",68.1532,-8.30712,
10651,[N:1](=[C:2]1\[O:3][C:4]([H:9])([H:10])[C@@:5]12[C:6]([H:11])([H:12])[N:7]2[H:13])\[H:8],[N:1]1([H:8])[C:2]2([O:3][C:4]([H:9])([H:10])[C:5]2=[C:6]([H:11])[H:12])[N:7]1[H:13],"InChI=1S/C4H6N2O/c5-3-4(1-6-4)2-7-3/h5-6H,1-2H2/b5-3-/t4-/m0/s1","InChI=1S/C4H6N2O/c1-3-2-7-4(3)5-6-4/h5-6H,1-2H2",95.56232,34.44801,
10652,[N:1](=[C:2]1\[O:3][C:4]([H:9])([H:10])[C@@:5]12[C:6]([H:11])([H:12])[N:7]2[H:13])\[H:8],[N:1]1([H:8])[C:2](=[O:3])[C@@:5]2([C:4]([H:9])([H:10])[H:12])[C@:6]1([H:11])[N:7]2[H:13],"InChI=1S/C4H6N2O/c5-3-4(1-6-4)2-7-3/h5-6H,1-2H2/b5-3-/t4-/m0/s1","InChI=1S/C4H6N2O/c1-4-2(6-4)5-3(4)7/h2,6H,1H3,(H,5,7)/t2-,4+/m0/s1",82.67044,-5.4352599999999995,
10653,[N:1](=[C:2]1\[O:3][C:4]([H:9])([H:10])[C@@:5]12[C:6]([H:11])([H:12])[N:7]2[H:13])\[H:8],[N:1](=[C:2](\[O+:3]=[C-:4][H:9])[C@@:5]1([H:10])[C:6]([H:11])([H:12])[N:7]1[H:13])\[H:8],"InChI=1S/C4H6N2O/c5-3-4(1-6-4)2-7-3/h5-6H,1-2H2/b5-3-/t4-/m0/s1","InChI=1S/C4H6N2O/c1-7-4(5)3-2-6-3/h1,3,5-6H,2H2/b5-4-/t3-/m1/s1",76.59951,59.86683000000001,
10654,[N:1](=[C:2]1\[O:3][C:4]([H:9])([H:10])[C@@:5]12[C:6]([H:11])([H:12])[N:7]2[H:13])\[H:8],[N:1](=[C:2]=[C:5]1[C:6]([H:11])([H:12])[N:7]1[H:13])[H:8].[O:3]=[C:4]([H:9])[H:10],"InChI=1S/C4H6N2O/c5-3-4(1-6-4)2-7-3/h5-6H,1-2H2/b5-3-/t4-/m0/s1","InChI=1S/C3H4N2.CH2O/c4-1-3-2-5-3;1-2/h4-5H,2H2;1H2",56.195440000000005,40.67647,2+2_cycloaddition
10655,[N:1](=[C:2]1\[O:3][C:4]([H:9])([H:10])[C@@:5]12[C:6]([H:11])([H:12])[N:7]2[H:13])\[H:8],[H:10][H:12].[N:1](=[C:2]1\[O:3][C:4]([H:9])=[C:5]1/[C:6](=[N:7]/[H:13])[H:11])\[H:8],"InChI=1S/C4H6N2O/c5-3-4(1-6-4)2-7-3/h5-6H,1-2H2/b5-3-/t4-/m0/s1","InChI=1S/C4H4N2O.H2/c5-1-3-2-7-4(3)6;/h1-2,5-6H;1H/b5-1+,6-4-;",97.81565,18.95233,
10656,[N:1](=[C:2]1\[O:3][C:4]([H:9])([H:10])[C@@:5]12[C:6]([H:11])([H:12])[N:7]2[H:13])\[H:8],[N:1](=[C:2]1\[O:3][C:4]([H:9])([H:10])\[C:5]1=[N:7]/[C:6]([H:11])([H:12])[H:13])\[H:8],"InChI=1S/C4H6N2O/c5-3-4(1-6-4)2-7-3/h5-6H,1-2H2/b5-3-/t4-/m0/s1","InChI=1S/C4H6N2O/c1-6-3-2-7-4(3)5/h5H,2H2,1H3/b5-4-,6-3+",60.22243,-11.403880000000001,
10657,[N:1](=[C:2]1\[O:3][C:4]([H:9])([H:10])[C@@:5]12[C:6]([H:11])([H:12])[N:7]2[H:13])\[H:8],[N:1](=[C:2]1\[O:3][C:4]([H:10])=[C:5]1[C:6]([N:7]([H:9])[H:13])([H:11])[H:12])\[H:8],"InChI=1S/C4H6N2O/c5-3-4(1-6-4)2-7-3/h5-6H,1-2H2/b5-3-/t4-/m0/s1","InChI=1S/C4H6N2O/c5-1-3-2-7-4(3)6/h2,6H,1,5H2/b6-4-",73.38920999999999,0.03997,
10658,[N:1](=[C:2]1\[O:3][C:4]([H:9])([H:10])[C@@:5]12[C:6]([H:11])([H:12])[N:7]2[H:13])\[H:8],[N:1](=[C:2]1\[C:5]2([C:4]([H:9])([H:10])[O:3][C:6]2([H:11])[H:12])[N:7]1[H:13])\[H:8],"InChI=1S/C4H6N2O/c5-3-4(1-6-4)2-7-3/h5-6H,1-2H2/b5-3-/t4-/m0/s1","InChI=1S/C4H6N2O/c5-3-4(6-3)1-7-2-4/h1-2H2,(H2,5,6)",89.95097,21.49689,
10659,[N:1](=[C:2]1\[O:3][C:4]([H:9])([H:10])[C@@:5]12[C:6]([H:11])([H:12])[N:7]2[H:13])\[H:8],[H:8][H:13].[N:1]#[C:2][O:3][C:4]([C:5]1=[N:7][C:6]1([H:11])[H:12])([H:9])[H:10],"InChI=1S/C4H6N2O/c5-3-4(1-6-4)2-7-3/h5-6H,1-2H2/b5-3-/t4-/m0/s1",InChI=1S/C4H4N2O.H2/c5-3-7-2-4-1-6-4;/h1-2H2;1H,74.27476,43.14114,
10660,[N:1](=[C:2]1\[O:3][C:4]([H:9])([H:10])[C@@:5]12[C:6]([H:11])([H:12])[N:7]2[H:13])\[H:8],[H:8][H:11].[N:1]#[C:2][O:3][C:4]([C:5]1=[C:6]([H:12])[N:7]1[H:13])([H:9])[H:10],"InChI=1S/C4H6N2O/c5-3-4(1-6-4)2-7-3/h5-6H,1-2H2/b5-3-/t4-/m0/s1","InChI=1S/C4H4N2O.H2/c5-3-7-2-4-1-6-4;/h1,6H,2H2;1H",88.4275,75.22247,
10661,[N:1](=[C:2]1\[O:3][C:4]([H:9])([H:10])[C@@:5]12[C:6]([H:11])([H:12])[N:7]2[H:13])\[H:8],[N:1]1([H:8])[C:2](=[O:3])[C:5](=[C:4]([H:9])[H:10])[N:7]([H:13])[C:6]1([H:11])[H:12],"InChI=1S/C4H6N2O/c5-3-4(1-6-4)2-7-3/h5-6H,1-2H2/b5-3-/t4-/m0/s1","InChI=1S/C4H6N2O/c1-3-4(7)6-2-5-3/h5H,1-2H2,(H,6,7)",38.64118,-42.60524,
10662,[N:1](=[C:2]1\[O:3][C:4]([H:9])([H:10])[C@@:5]12[C:6]([H:11])([H:12])[N:7]2[H:13])\[H:8],[N:1]1([H:8])[C:2](=[O+:3][C-:4]([H:9])[H:10])[C@@:5]12[C:6]([H:11])([H:12])[N:7]2[H:13],"InChI=1S/C4H6N2O/c5-3-4(1-6-4)2-7-3/h5-6H,1-2H2/b5-3-/t4-/m0/s1","InChI=1S/C4H6N2O/c1-7-3-4(6-3)2-5-4/h5-6H,1-2H2/t4-/m1/s1",102.39166999999999,94.71074,
10663,[N:1](=[C:2]1\[O:3][C:4]([H:9])([H:10])[C@@:5]12[C:6]([H:11])([H:12])[N:7]2[H:13])\[H:8],[N:1]([C:2]1=[O+:3][C:4]([H:9])([H:10])[C@@:5]12[C-:6]([H:11])[N:7]2[H:13])([H:8])[H:12],"InChI=1S/C4H6N2O/c5-3-4(1-6-4)2-7-3/h5-6H,1-2H2/b5-3-/t4-/m0/s1","InChI=1S/C4H6N2O/c5-3-4(1-6-4)2-7-3/h1,6H,2,5H2/t4-/m0/s1",109.85323999999999,64.62905,
10664,[N:1](=[C:2]1\[O:3][C:4]([H:9])([H:10])[C@@:5]12[C:6]([H:11])([H:12])[N:7]2[H:13])\[H:8],[N:1](=[C:2]1\[C@@:5]2([O:3][C:4]2([H:9])[H:10])[C:6]([H:11])([H:12])[N:7]1[H:13])\[H:8],"InChI=1S/C4H6N2O/c5-3-4(1-6-4)2-7-3/h5-6H,1-2H2/b5-3-/t4-/m0/s1","InChI=1S/C4H6N2O/c5-3-4(1-6-3)2-7-4/h1-2H2,(H2,5,6)/t4-/m1/s1",68.38606999999999,3.23158,
10665,[N:1](=[C:2]1\[O:3][C:4]([H:9])([H:10])[C@@:5]12[C:6]([H:11])([H:12])[N:7]2[H:13])\[H:8],[N:1]1([H:8])[C@@:2]2([O:3][C:4]([H:9])([H:10])/[C:5]2=[N:7]/[H:13])[C:6]1([H:11])[H:12],"InChI=1S/C4H6N2O/c5-3-4(1-6-4)2-7-3/h5-6H,1-2H2/b5-3-/t4-/m0/s1","InChI=1S/C4H6N2O/c5-3-1-7-4(3)2-6-4/h5-6H,1-2H2/b5-3-/t4-/m1/s1",84.08572,12.789489999999999,
10666,[N:1](=[C:2]1\[O:3][C:4]([H:9])([H:10])[C@@:5]12[C:6]([H:11])([H:12])[N:7]2[H:13])\[H:8],[H:8][H:12].[N-:1]=[C:2]1[O:3][C:4]([H:9])([H:10])[C@@:5]12[C+:6]([H:11])[N:7]2[H:13],"InChI=1S/C4H6N2O/c5-3-4(1-6-4)2-7-3/h5-6H,1-2H2/b5-3-/t4-/m0/s1","InChI=1S/C4H4N2O.H2/c5-3-4(1-6-4)2-7-3;/h1,6H,2H2;1H/t4-;/m0./s1",137.17709,113.51541,
10667,[N:1](=[C:2]1\[O:3][C:4]([H:9])([H:10])[C@@:5]12[C:6]([H:11])([H:12])[N:7]2[H:13])\[H:8],[N:1](=[C:2]([O-:3])[C+:5]1[C:4]([H:9])([H:10])[C:6]([H:11])([H:12])[N:7]1[H:13])[H:8],"InChI=1S/C4H6N2O/c5-3-4(1-6-4)2-7-3/h5-6H,1-2H2/b5-3-/t4-/m0/s1","InChI=1S/C4H6N2O/c5-4(7)3-1-2-6-3/h6H,1-2H2,(H-,5,7)",38.61952,4.329969999999999,
10668,[N:1]([c:2]1[n:3][c:4]([H:10])[c:5]([H:11])[c:6]([H:12])[n:7]1)([H:8])[H:9],[N:1]([C:2]1=[N:3][C:4]([H:10])=[C+:5][C:6]([H:11])([H:12])[N-:7]1)([H:8])[H:9],"InChI=1S/C4H5N3/c5-4-6-2-1-3-7-4/h1-3H,(H2,5,6,7)","InChI=1S/C4H5N3/c5-4-6-2-1-3-7-4/h2H,3H2,(H2-,5,6,7)",93.80045,95.07836999999999,Singlet_Carbene_Intra_Disproportionation
10669,[N:1]([c:2]1[n:3][c:4]([H:10])[c:5]([H:11])[c:6]([H:12])[n:7]1)([H:8])[H:9],[N:1]([C:2]12[N:3]=[C:4]([H:10])[C:5]1([H:11])[C:6]([H:12])=[N:7]2)([H:8])[H:9],"InChI=1S/C4H5N3/c5-4-6-2-1-3-7-4/h1-3H,(H2,5,6,7)","InChI=1S/C4H5N3/c5-4-3(1-6-4)2-7-4/h1-3H,5H2",90.48156999999999,87.08351,
10670,[N:1]([c:2]1[n:3][c:4]([H:10])[c:5]([H:11])[c:6]([H:12])[n:7]1)([H:8])[H:9],[N:1](/[N:3]=[C:2]1/[C:4]([H:10])=[C:5]([H:11])[C:6]([H:12])=[N:7]1)([H:8])[H:9],"InChI=1S/C4H5N3/c5-4-6-2-1-3-7-4/h1-3H,(H2,5,6,7)","InChI=1S/C4H5N3/c5-7-4-2-1-3-6-4/h1-3H,5H2/b7-4-",125.85871000000002,44.06593,
10671,[N:1]([c:2]1[n:3][c:4]([H:10])[c:5]([H:11])[c:6]([H:12])[n:7]1)([H:8])[H:9],[N:1](=[C:2]1[N:3]=[C:4]([H:10])[C:5]([H:9])([H:11])[C:6]([H:12])=[N:7]1)[H:8],"InChI=1S/C4H5N3/c5-4-6-2-1-3-7-4/h1-3H,(H2,5,6,7)","InChI=1S/C4H5N3/c5-4-6-2-1-3-7-4/h2-3,5H,1H2",82.88852,35.13002,
10672,[N:1]([c:2]1[n:3][c:4]([H:10])[c:5]([H:11])[c:6]([H:12])[n:7]1)([H:8])[H:9],[N:1]([C:2]#[N+:3][C-:4]([C@@:5]1([H:11])[C:6]([H:12])=[N:7]1)[H:10])([H:8])[H:9],"InChI=1S/C4H5N3/c5-4-6-2-1-3-7-4/h1-3H,(H2,5,6,7)","InChI=1S/C4H5N3/c5-3-6-1-4-2-7-4/h1-2,4H,5H2/t4-/m0/s1",101.91427,98.7651,
10673,[N:1]([c:2]1[n:3][c:4]([H:10])[c:5]([H:11])[c:6]([H:12])[n:7]1)([H:8])[H:9],[N:1]([C:2]1=[N+:7]=[C-:6][C:5]([H:11])([H:12])[C:4]([H:10])=[N:3]1)([H:8])[H:9],"InChI=1S/C4H5N3/c5-4-6-2-1-3-7-4/h1-3H,(H2,5,6,7)","InChI=1S/C4H5N3/c5-4-6-2-1-3-7-4/h2H,1,5H2",87.88261,68.17714000000001,Singlet_Carbene_Intra_Disproportionation
10674,[N:1]([c:2]1[n:3][c:4]([H:10])[c:5]([H:11])[c:6]([H:12])[n:7]1)([H:8])[H:9],[N:1]([C:2]1=[N+:7]=[C-:6][C:5]([H:11])=[C:4]([H:10])[N:3]1[H:12])([H:8])[H:9],"InChI=1S/C4H5N3/c5-4-6-2-1-3-7-4/h1-3H,(H2,5,6,7)","InChI=1S/C4H5N3/c5-4-6-2-1-3-7-4/h1-2,6H,5H2",126.28884,72.40785,
10675,[N:1]([c:2]1[n:3][c:4]([H:10])[c:5]([H:11])[c:6]([H:12])[n:7]1)([H:8])[H:9],[N:1](=[c:2]1/[n:3]([H:9])[c:4]([H:10])[c:5]([H:11])[c:6]([H:12])[n:7]1)\[H:8],"InChI=1S/C4H5N3/c5-4-6-2-1-3-7-4/h1-3H,(H2,5,6,7)","InChI=1S/C4H5N3/c5-4-6-2-1-3-7-4/h1-3H,(H2,5,6,7)",44.49986,16.27124,
10676,[N:1]([c:2]1[n:3][c:4]([H:10])[c:5]([H:11])[c:6]([H:12])[n:7]1)([H:8])[H:9],[N:1]([C:5]1([H:11])[C:4]([H:10])=[N+:3]=[C-:2][N:7]=[C:6]1[H:12])([H:8])[H:9],"InChI=1S/C4H5N3/c5-4-6-2-1-3-7-4/h1-3H,(H2,5,6,7)","InChI=1S/C4H5N3/c5-4-1-6-3-7-2-4/h1-2,4H,5H2",126.48563999999999,97.37077,
10677,[N:1]([c:2]1[n:3][c:4]([H:10])[c:5]([H:11])[c:6]([H:12])[n:7]1)([H:8])[H:9],[N:1]([C:2]1=[N:3][C:4]([H:10])=[C:5]=[C:6]([H:12])[N:7]1[H:11])([H:8])[H:9],"InChI=1S/C4H5N3/c5-4-6-2-1-3-7-4/h1-3H,(H2,5,6,7)","InChI=1S/C4H5N3/c5-4-6-2-1-3-7-4/h2-3H,(H3,5,6,7)",115.53416000000001,60.422819999999994,
10678,[N:1]([c:2]1[n:3][c:4]([H:10])[c:5]([H:11])[c:6]([H:12])[n:7]1)([H:8])[H:9],[N:1]([c:2]1[n+:3]([H:10])[c-:4][c:5]([H:11])[c:6]([H:12])[n:7]1)([H:8])[H:9],"InChI=1S/C4H5N3/c5-4-6-2-1-3-7-4/h1-3H,(H2,5,6,7)","InChI=1S/C4H5N3/c5-4-6-2-1-3-7-4/h1-2,7H,(H2,5,6)",84.66566,48.78608,
10679,[N:1]([c:2]1[n:3][c:4]([H:10])[c:5]([H:11])[c:6]([H:12])[n:7]1)([H:8])[H:9],[C:4](#[C:5][H:11])[H:10].[C:6](#[N:7])[H:12].[N:1]([C:2]#[N:3])([H:8])[H:9],"InChI=1S/C4H5N3/c5-4-6-2-1-3-7-4/h1-3H,(H2,5,6,7)",InChI=1S/C2H2.CH2N2.CHN/c1-2;2-1-3;1-2/h1-2H;2H2;1H,120.40977,95.67593000000001,
10680,[N:1]([c:2]1[n:3][c:4]([H:10])[c:5]([H:11])[c:6]([H:12])[n:7]1)([H:8])[H:9],[N:1]([C@@:2]12[N:3]3[C:4]([H:10])=[C:5]([H:11])[C@:6]1([H:12])[N:7]23)([H:8])[H:9],"InChI=1S/C4H5N3/c5-4-6-2-1-3-7-4/h1-3H,(H2,5,6,7)","InChI=1S/C4H5N3/c5-4-3-1-2-6(4)7(3)4/h1-3H,5H2/t3-,4+,6?,7?/m0/s1",107.15465,108.45057,
10681,[N:1]([c:2]1[n:3][c:4]([H:10])[c:5]([H:11])[c:6]([H:12])[n:7]1)([H:8])[H:9],[N:1]([C:2]1([H:11])[N-:3][C:4]([H:10])=[C+:5][C:6]([H:12])=[N:7]1)([H:8])[H:9],"InChI=1S/C4H5N3/c5-4-6-2-1-3-7-4/h1-3H,(H2,5,6,7)","InChI=1S/C4H5N3/c5-4-6-2-1-3-7-4/h2-4H,5H2",118.46771000000001,109.55066000000001,
10682,[N:1]([c:2]1[n:3][c:4]([H:10])[c:5]([H:11])[c:6]([H:12])[n:7]1)([H:8])[H:9],[N:1]([C:2]1=[N:3][C@:4]([C:5][H:11])([H:10])[C:6]([H:12])=[N:7]1)([H:8])[H:9],"InChI=1S/C4H5N3/c5-4-6-2-1-3-7-4/h1-3H,(H2,5,6,7)","InChI=1S/C4H5N3/c1-3-2-6-4(5)7-3/h1-3H,(H2,5,7)/t3-/m0/s1",111.80043,115.30917,
10683,[N:1]([c:2]1[n:3][c:4]([H:10])[c:5]([H:11])[c:6]([H:12])[n:7]1)([H:8])[H:9],[N:1]([C:2]1=[N:3][C:4]([H:10])([H:12])[C:5]([H:11])=[C:6]=[N:7]1)([H:8])[H:9],"InChI=1S/C4H5N3/c5-4-6-2-1-3-7-4/h1-3H,(H2,5,6,7)","InChI=1S/C4H5N3/c5-4-6-2-1-3-7-4/h1H,2H2,(H2,5,6)",109.34391000000001,66.16201,
10684,[N:1]([c:2]1[n:3][c:4]([H:10])[c:5]([H:11])[c:6]([H:12])[n:7]1)([H:8])[H:9],[N:1]([C:2]1=[N:3][C@:4]2([H:10])[C:5]([H:11])=[C:6]([H:12])[N:7]12)([H:8])[H:9],"InChI=1S/C4H5N3/c5-4-6-2-1-3-7-4/h1-3H,(H2,5,6,7)","InChI=1S/C4H5N3/c5-4-6-3-1-2-7(3)4/h1-3H,(H2,5,6)/t3-/m0/s1",96.17352,81.98223,
10685,[N:1]([c:2]1[n:3][c:4]([H:10])[c:5]([H:11])[c:6]([H:12])[n:7]1)([H:8])[H:9],[N:1]([C:2]1=[N:7][C@@:6]2([H:12])[C@@:4]3([H:10])[N:3]1[C@:5]32[H:11])([H:8])[H:9],"InChI=1S/C4H5N3/c5-4-6-2-1-3-7-4/h1-3H,(H2,5,6,7)","InChI=1S/C4H5N3/c5-4-6-1-2-3(1)7(2)4/h1-3H,(H2,5,6)/t1-,2+,3-,7?",103.36788,85.17378000000001,
10686,[N:1]([c:2]1[n:3][c:4]([H:10])[c:5]([H:11])[c:6]([H:12])[n:7]1)([H:8])[H:9],[N:1]([C:2]1=[N:7][N:3]1[C:4]1([H:10])[C:5]([H:11])=[C:6]1[H:12])([H:8])[H:9],"InChI=1S/C4H5N3/c5-4-6-2-1-3-7-4/h1-3H,(H2,5,6,7)","InChI=1S/C4H5N3/c5-4-6-7(4)3-1-2-3/h1-3H,(H2,5,6)",146.59703000000002,130.95529,
10687,[C:1]([C:2]#[C:3][C:4]([C@@:5]1([H:13])[C:6]([H:14])([H:15])[N:7]1[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]#[C:3]/[C:4](=[C:5](/[C:6]([N:7]([H:11])[H:16])([H:14])[H:15])[H:13])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-2-3-4-6-5-7-6/h6-7H,4-5H2,1H3/t6-/m0/s1","InChI=1S/C6H9N/c1-2-3-4-5-6-7/h4-5H,6-7H2,1H3/b5-4+",53.92661,-16.2109,
10688,[C:1]([C:2]#[C:3][C:4]([C@@:5]1([H:13])[C:6]([H:14])([H:15])[N:7]1[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]#[C:3][C:4]([C:5]([N:7]([C:6][H:14])[H:16])([H:13])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-2-3-4-6-5-7-6/h6-7H,4-5H2,1H3/t6-/m0/s1","InChI=1S/C6H9N/c1-3-4-5-6-7-2/h2,7H,5-6H2,1H3",68.76604,31.81328,
10689,[C:1]([C:2]#[C:3][C:4]([C@@:5]1([H:13])[C:6]([H:14])([H:15])[N:7]1[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3])[C:4]([C@@:5]1([H:13])[C:6]([H:14])([H:15])[N:7]1[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-2-3-4-6-5-7-6/h6-7H,4-5H2,1H3/t6-/m0/s1","InChI=1S/C6H9N/c1-5(2)3-6-4-7-6/h6-7H,3-4H2,1H3/t6-/m0/s1",56.854040000000005,54.533840000000005,
10690,[C:1]([C:2]#[C:3][C:4]([C@@:5]1([H:13])[C:6]([H:14])([H:15])[N:7]1[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:3]2[C:4]([H:11])([H:12])[C@:5]12[H:13])([H:8])([H:9])[H:10].[C:6](=[N:7][H:16])([H:14])[H:15],"InChI=1S/C6H9N/c1-2-3-4-6-5-7-6/h6-7H,4-5H2,1H3/t6-/m0/s1","InChI=1S/C5H6.CH3N/c1-3-4-2-5(3)4;1-2/h4H,2H2,1H3;2H,1H2/t4-;/m1./s1",65.29378,46.214,
10691,[C:1]([C:2]#[C:3][C:4]([C@@:5]1([H:13])[C:6]([H:14])([H:15])[N:7]1[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]#[C:3][C:5](=[C:4]([H:11])[H:12])[H:13])([H:8])([H:9])[H:10].[C:6](=[N:7][H:16])([H:14])[H:15],"InChI=1S/C6H9N/c1-2-3-4-6-5-7-6/h6-7H,4-5H2,1H3/t6-/m0/s1","InChI=1S/C5H6.CH3N/c1-3-5-4-2;1-2/h3H,1H2,2H3;2H,1H2",71.49344,3.7555300000000003,
10692,[C:1]([C:2]#[C:3][C:4]([C@@:5]1([H:13])[C:6]([H:14])([H:15])[N:7]1[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C-:3][C:4]([H:11])([H:12])[C+:5]([H:13])[N:7]([H:16])[C:6]1([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-2-3-4-6-5-7-6/h6-7H,4-5H2,1H3/t6-/m0/s1","InChI=1S/C6H9N/c1-6-3-2-4-7-5-6/h4,7H,2,5H2,1H3",80.75591999999999,19.98126,
10693,[C:1]([C:2]#[C:3][C:4]([C@@:5]1([H:13])[C:6]([H:14])([H:15])[N:7]1[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]=[C:4]([C@@:5]1([H:13])[C:6]([H:14])([H:15])[N:7]1[H:16])[H:12])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-2-3-4-6-5-7-6/h6-7H,4-5H2,1H3/t6-/m0/s1","InChI=1S/C6H9N/c1-2-3-4-6-5-7-6/h2,4,6-7H,5H2,1H3/t3?,6-/m0/s1",69.20058,-2.65585,
10694,[C:1]([C:2]#[C:3][C:4]([C@@:5]1([H:13])[C:6]([H:14])([H:15])[N:7]1[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]=[C:4]([H:11])[H:12])[C:6](/[C:5](=[N:7]/[H:16])[H:13])([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-2-3-4-6-5-7-6/h6-7H,4-5H2,1H3/t6-/m0/s1","InChI=1S/C6H9N/c1-3-6(2)4-5-7/h5,7H,1,4H2,2H3/b7-5+",49.67033,-20.803739999999998,
10695,[C:1]([C:2]#[C:3][C:4]([C@@:5]1([H:13])[C:6]([H:14])([H:15])[N:7]1[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](=[C:2]=[C:3]1[C:4]([H:11])([H:12])[C@:5]12[C:6]([H:14])([H:15])[N:7]2[H:16])([H:8])[H:9].[H:10][H:13],"InChI=1S/C6H9N/c1-2-3-4-6-5-7-6/h6-7H,4-5H2,1H3/t6-/m0/s1","InChI=1S/C6H7N.H2/c1-2-5-3-6(5)4-7-6;/h7H,1,3-4H2;1H/t6-;/m0./s1",90.39010999999999,46.269059999999996,
10696,[C:1]([C:2]#[C:3][C:4]([C@@:5]1([H:13])[C:6]([H:14])([H:15])[N:7]1[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]=[C:4]([H:11])[H:12])[H:14])([H:8])([H:9])[H:10].[C:5]1([H:13])=[C:6]([H:15])[N:7]1[H:16],"InChI=1S/C6H9N/c1-2-3-4-6-5-7-6/h6-7H,4-5H2,1H3/t6-/m0/s1","InChI=1S/C4H6.C2H3N/c1-3-4-2;1-2-3-1/h4H,1H2,2H3;1-3H",70.27853,61.26673,Retroene
10697,[C:1]([C:2]#[C:3][C:4]([C@@:5]1([H:13])[C:6]([H:14])([H:15])[N:7]1[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C-:2]=[C:3]([C:4]([C@@:5]1([H:13])[C+:6]([H:14])[N:7]1[H:16])([H:11])[H:12])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-2-3-4-6-5-7-6/h6-7H,4-5H2,1H3/t6-/m0/s1","InChI=1S/C6H9N/c1-2-3-4-6-5-7-6/h3,5-7H,4H2,1H3/t6-/m0/s1",96.82231999999999,69.73841999999999,
10698,[C:1]([C:2]#[C:3][C:4]([C@@:5]1([H:13])[C:6]([H:14])([H:15])[N:7]1[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]#[C:3][C:4]([C:5][C:6]([N:7]([H:13])[H:16])([H:14])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-2-3-4-6-5-7-6/h6-7H,4-5H2,1H3/t6-/m0/s1","InChI=1S/C6H9N/c1-2-3-4-5-6-7/h4,6-7H2,1H3",70.74308,60.4253,
10699,[C:1]([C:2]#[C:3][C:4]([C@@:5]1([H:13])[C:6]([H:14])([H:15])[N:7]1[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](=[C:2]=[C:3]1[C:4]([H:11])([H:12])[C@@:5]2([H:13])[C@:6]1([H:15])[N:7]2[H:16])([H:8])[H:9].[H:10][H:14],"InChI=1S/C6H9N/c1-2-3-4-6-5-7-6/h6-7H,4-5H2,1H3/t6-/m0/s1","InChI=1S/C6H7N.H2/c1-2-4-3-5-6(4)7-5;/h5-7H,1,3H2;1H/t5-,6+;/m0./s1",86.11646,38.57895,
10700,[C:1]([C:2]#[C:3][C:4]([C@@:5]1([H:13])[C:6]([H:14])([H:15])[N:7]1[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:3]1\[C:4]([H:11])([H:12])[C@@:5]12[C:6]([H:14])([H:15])[N:7]2[H:16])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-2-3-4-6-5-7-6/h6-7H,4-5H2,1H3/t6-/m0/s1","InChI=1S/C6H9N/c1-2-5-3-6(5)4-7-6/h2,7H,3-4H2,1H3/b5-2+/t6-/m1/s1",68.49065999999999,8.781419999999999,
10701,[C:1]([C:2]#[C:3][C:4]([C@@:5]1([H:13])[C:6]([H:14])([H:15])[N:7]1[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]/[C:3](=[C:4](\[C@@:5]1([H:13])[C:6]([H:14])([H:15])[N:7]1[H:16])[H:12])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-2-3-4-6-5-7-6/h6-7H,4-5H2,1H3/t6-/m0/s1","InChI=1S/C6H9N/c1-2-3-4-6-5-7-6/h3-4,6-7H,5H2,1H3/b4-3-/t6-/m0/s1",65.69724000000001,52.50421,
10702,[C:1]([C:2]#[C:3][C:4]([C@@:5]1([H:13])[C:6]([H:14])([H:15])[N:7]1[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](=[C:2]=[C:3]([C:4]([C@@:5]1([H:13])[C:6]([H:14])([H:15])[N:7]1[H:16])([H:11])[H:12])[H:10])([H:8])[H:9],"InChI=1S/C6H9N/c1-2-3-4-6-5-7-6/h6-7H,4-5H2,1H3/t6-/m0/s1","InChI=1S/C6H9N/c1-2-3-4-6-5-7-6/h3,6-7H,1,4-5H2/t6-/m0/s1",74.63892,0.20165,
10703,[C:1]([C:2]#[C:3][C:4]([C@@:5]1([H:13])[C:6]([H:14])([H:15])[N:7]1[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]#[C:3][C:4]([C@@:5]1([H:13])[C-:6]([H:15])[N+:7]1([H:14])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-2-3-4-6-5-7-6/h6-7H,4-5H2,1H3/t6-/m0/s1","InChI=1S/C6H9N/c1-2-3-4-6-5-7-6/h5-6H,4,7H2,1H3/t6-/m0/s1",62.245259999999995,54.55993,
10704,[C:1]([C:2]#[C:3][C:4]([C@@:5]1([H:13])[C:6]([H:14])([H:15])[N:7]1[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C+:1]([C:2](=[C-:3][C:4]([C@@:5]1([H:13])[C:6]([H:14])([H:15])[N:7]1[H:16])([H:11])[H:12])[H:10])([H:8])[H:9],"InChI=1S/C6H9N/c1-2-3-4-6-5-7-6/h6-7H,4-5H2,1H3/t6-/m0/s1","InChI=1S/C6H9N/c1-2-3-4-6-5-7-6/h2,6-7H,1,4-5H2/t6-/m0/s1",72.26191999999999,60.80141,
10705,[C:1]([C:2]#[C:3][C:4]([C@@:5]1([H:13])[C:6]([H:14])([H:15])[N:7]1[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]#[C:3][C:4](/[C:5](=[N:7]\[C:6]([H:14])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-2-3-4-6-5-7-6/h6-7H,4-5H2,1H3/t6-/m0/s1","InChI=1S/C6H9N/c1-3-4-5-6-7-2/h6H,5H2,1-2H3/b7-6-",59.966969999999996,-11.28192,
10706,[C:1]([C:2]#[C:3][C:4]([C@@:5]1([H:13])[C:6]([H:14])([H:15])[N:7]1[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]#[C:3][N:7]([C:6]([C:5](=[C:4]([H:11])[H:12])[H:13])([H:14])[H:15])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-2-3-4-6-5-7-6/h6-7H,4-5H2,1H3/t6-/m0/s1","InChI=1S/C6H9N/c1-3-5-7-6-4-2/h3,7H,1,5H2,2H3",64.9894,-3.4188400000000003,
10707,[C:1]([C:2]#[C:3][C:4]([C@@:5]1([H:13])[C:6]([H:14])([H:15])[N:7]1[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:3]([H:13])[C:4]([H:11])([H:12])[C@:5]12[C:6]([H:14])([H:15])[N:7]2[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-2-3-4-6-5-7-6/h6-7H,4-5H2,1H3/t6-/m0/s1","InChI=1S/C6H9N/c1-5-2-3-6(5)4-7-6/h2,7H,3-4H2,1H3/t6-/m0/s1",84.68549,-5.6603,
10708,[C:1]([C:2]#[C:3][C:4]([C@@:5]1([H:13])[C:6]([H:14])([H:15])[N:7]1[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]#[C:3][C:4]([C:5]([N:7]=[C:6]([H:14])[H:15])([H:13])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-2-3-4-6-5-7-6/h6-7H,4-5H2,1H3/t6-/m0/s1","InChI=1S/C6H9N/c1-3-4-5-6-7-2/h2,5-6H2,1H3",63.81638,-10.85648,
10709,[C:1]([C:2]#[C:3][C:4]([C@@:5]1([H:13])[C:6]([H:14])([H:15])[N:7]1[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C+:2]=[C:3]1[C:4]([H:11])([H:12])[C:5]([N-:7][H:16])([H:13])[C:6]1([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-2-3-4-6-5-7-6/h6-7H,4-5H2,1H3/t6-/m0/s1","InChI=1S/C6H9N/c1-2-5-3-6(7)4-5/h6-7H,3-4H2,1H3",58.6645,57.28391,
10710,[C:1]([C:2]#[C:3][C:4]([C@@:5]1([H:13])[C:6]([H:14])([H:15])[N:7]1[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]#[C:3][C:4]([H:11])([H:12])[H:14])([H:8])([H:9])[H:10].[C:5]1([H:13])=[C:6]([H:15])[N:7]1[H:16],"InChI=1S/C6H9N/c1-2-3-4-6-5-7-6/h6-7H,4-5H2,1H3/t6-/m0/s1",InChI=1S/C4H6.C2H3N/c1-3-4-2;1-2-3-1/h1-2H3;1-3H,118.94006999999999,60.869930000000004,
10711,[C:1]([C:2]#[C:3][C:4]([C@@:5]1([H:13])[C:6]([H:14])([H:15])[N:7]1[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]=[C:4]([H:11])[H:12])[C@:5]1([H:13])[C:6]([H:14])([H:15])[N:7]1[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-2-3-4-6-5-7-6/h6-7H,4-5H2,1H3/t6-/m0/s1","InChI=1S/C6H9N/c1-3-5(2)6-4-7-6/h6-7H,1,4H2,2H3/t6-/m0/s1",72.69463,-3.6701,
10712,[C:1]([C:2]#[C:3][C:4]([C@@:5]1([H:13])[C:6]([H:14])([H:15])[N:7]1[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](=[C:2]=[C:3]=[C:4]([H:11])[H:12])([H:8])[H:9].[C:5]1([H:10])([H:13])[C:6]([H:14])([H:15])[N:7]1[H:16],"InChI=1S/C6H9N/c1-2-3-4-6-5-7-6/h6-7H,4-5H2,1H3/t6-/m0/s1","InChI=1S/C4H4.C2H5N/c1-3-4-2;1-2-3-1/h1-2H2;3H,1-2H2",88.0968,27.53095,
10713,[C:1]([C:2]#[C:3][C:4]([C@@:5]1([H:13])[C:6]([H:14])([H:15])[N:7]1[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]#[C:3][C:4]([C+:5]([N:7]([C-:6]([H:14])[H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-2-3-4-6-5-7-6/h6-7H,4-5H2,1H3/t6-/m0/s1","InChI=1S/C6H9N/c1-3-4-5-6-7-2/h6-7H,2,5H2,1H3",43.542809999999996,20.84114,
10714,[C:1]([C:2]#[C:3][C:4]([C:5]([H:11])([H:12])[H:13])([C:6]([H:14])([H:15])[H:16])[O:7][H:17])([H:8])([H:9])[H:10],[C+:1]([C:2](=[C-:3][C:4]([C:5]([H:11])([H:12])[H:13])([C:6]([H:14])([H:15])[H:16])[O:7][H:17])[H:10])([H:8])[H:9],"InChI=1S/C6H10O/c1-4-5-6(2,3)7/h7H,1-3H3","InChI=1S/C6H10O/c1-4-5-6(2,3)7/h4,7H,1H2,2-3H3",69.53649,55.56632,
10715,[C:1]([C:2]#[C:3][C:4]([C:5]([H:11])([H:12])[H:13])([C:6]([H:14])([H:15])[H:16])[O:7][H:17])([H:8])([H:9])[H:10],[C:1](=[C:2]=[C:3]([C:4]([C:5]([H:11])([H:12])[H:13])([C:6]([H:14])([H:15])[H:16])[O:7][H:17])[H:10])([H:8])[H:9],"InChI=1S/C6H10O/c1-4-5-6(2,3)7/h7H,1-3H3","InChI=1S/C6H10O/c1-4-5-6(2,3)7/h5,7H,1H2,2-3H3",72.10228000000001,-2.0036099999999997,
10716,[C:1]([C:2]#[C:3][C:4]([C:5]([H:11])([H:12])[H:13])([C:6]([H:14])([H:15])[H:16])[O:7][H:17])([H:8])([H:9])[H:10],[C:1](=[C:2]=[C:3]=[C:4]([C:6]([H:14])([H:15])[H:16])[O:7][H:17])([H:8])[H:9].[C:5]([H:10])([H:11])([H:12])[H:13],"InChI=1S/C6H10O/c1-4-5-6(2,3)7/h7H,1-3H3","InChI=1S/C5H6O.CH4/c1-3-4-5(2)6;/h6H,1H2,2H3;1H4",74.05066,11.74848,
10717,[C:1]([C:2]#[C:3][C:4]([C:5]([H:11])([H:12])[H:13])([C:6]([H:14])([H:15])[H:16])[O:7][H:17])([H:8])([H:9])[H:10],[C:1]([C:2][C@@:3]1([H:16])[C@:4]([C:5]([H:11])([H:12])[H:13])([O:7][H:17])[C:6]1([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-5-6(2,3)7/h7H,1-3H3","InChI=1S/C6H10O/c1-3-5-4-6(5,2)7/h5,7H,4H2,1-2H3/t5-,6-/m1/s1",84.07231,58.83835,
10718,[C:1]([C:2]#[C:3][C:4]([C:5]([H:11])([H:12])[H:13])([C:6]([H:14])([H:15])[H:16])[O:7][H:17])([H:8])([H:9])[H:10],[C:1]([C@:2]1([H:13])[C:3][C@@:4]([C:6]([H:14])([H:15])[H:16])([O:7][H:17])[C:5]1([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-5-6(2,3)7/h7H,1-3H3","InChI=1S/C6H10O/c1-5-3-6(2,7)4-5/h5,7H,3H2,1-2H3/t5-,6-/m0/s1",92.72178000000001,71.38882,
10719,[C:1]([C:2]#[C:3][C:4]([C:5]([H:11])([H:12])[H:13])([C:6]([H:14])([H:15])[H:16])[O:7][H:17])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:3]([O:7][H:17])[C:4]1([C:5]([H:11])([H:12])[H:13])[C:6]([H:14])([H:15])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-5-6(2,3)7/h7H,1-3H3","InChI=1S/C6H10O/c1-4-5(7)6(4,2)3/h7H,1-3H3",66.09385,12.37785,
10720,[C:1]([C:2]#[C:3][C:4]([C:5]([H:11])([H:12])[H:13])([C:6]([H:14])([H:15])[H:16])[O:7][H:17])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]=[C:4]([C:5]([H:11])([H:12])[H:13])[C:6]([H:14])([H:15])[H:16])[O:7][H:17])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-5-6(2,3)7/h7H,1-3H3","InChI=1S/C6H10O/c1-5(2)4-6(3)7/h7H,1-3H3",53.89277,-4.43832,
10721,[C:1]([C:2]#[C:3][C:4]([C:5]([H:11])([H:12])[H:13])([C:6]([H:14])([H:15])[H:16])[O:7][H:17])([H:8])([H:9])[H:10],[C:1]([C:3](=[C:2])[C:4]([C:5]([H:11])([H:12])[H:13])([C:6]([H:14])([H:15])[H:16])[O:7][H:17])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-5-6(2,3)7/h7H,1-3H3","InChI=1S/C6H10O/c1-5(2)6(3,4)7/h7H,1,3-4H3",56.574940000000005,51.82432,
10722,[C:1]([C:2]#[C:3][C:4]([C:5]([H:11])([H:12])[H:13])([C:6]([H:14])([H:15])[H:16])[O:7][H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:17])[C:3][C:4]([C:5]([H:11])([H:12])[H:13])([C:6]([H:14])([H:15])[H:16])[O:7]1)([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-5-6(2,3)7/h7H,1-3H3","InChI=1S/C6H10O/c1-5-4-6(2,3)7-5/h5H,1-3H3/t5-/m0/s1",86.67186,70.63031,
10723,[C:1]([C:2]#[C:3][C:4]([C:5]([H:11])([H:12])[H:13])([C:6]([H:14])([H:15])[H:16])[O:7][H:17])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:3]([C:6]([H:14])([H:15])[H:16])[C:4]1([C:5]([H:11])([H:12])[H:13])[O:7][H:17])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-5-6(2,3)7/h7H,1-3H3","InChI=1S/C6H10O/c1-4-5(2)6(4,3)7/h7H,1-3H3",73.17515,7.391030000000001,
10724,[C:1]([C:2]#[C:3][C:4]([C:5]([H:11])([H:12])[H:13])([C:6]([H:14])([H:15])[H:16])[O:7][H:17])([H:8])([H:9])[H:10],[C:1](=[C:2]=[C:3]1[C:4]([C:5]([H:11])([H:12])[H:13])([C:6]([H:14])([H:15])[H:16])[O:7]1)([H:8])[H:9].[H:10][H:17],"InChI=1S/C6H10O/c1-4-5-6(2,3)7/h7H,1-3H3","InChI=1S/C6H8O.H2/c1-4-5-6(2,3)7-5;/h1H2,2-3H3;1H",80.91653000000001,42.92219,
10725,[C:1]([C:2]#[C:3][C:4]([C:5]([H:11])([H:12])[H:13])([C:6]([H:14])([H:15])[H:16])[O:7][H:17])([H:8])([H:9])[H:10],[C:1]([C:2]#[C:3][H:16])([H:8])([H:9])[H:10].[C:4]([C:5]([H:11])([H:12])[H:13])(=[C:6]([H:14])[H:15])[O:7][H:17],"InChI=1S/C6H10O/c1-4-5-6(2,3)7/h7H,1-3H3","InChI=1S/C3H6O.C3H4/c1-3(2)4;1-3-2/h4H,1H2,2H3;1H,2H3",74.6848,20.65055,
10726,[C:1]([O:2][C@@:3]([C:4]([H:12])([H:13])[H:14])([C:5]([C:6]([O:7][H:19])([H:17])[H:18])([H:15])[H:16])[H:11])([H:8])([H:9])[H:10],[C:1]([O+:2]=[C-:3][C:5]([C:6]([O:7][H:19])([H:17])[H:18])([H:15])[H:16])([H:8])([H:9])[H:10].[C:4]([H:11])([H:12])([H:13])[H:14],"InChI=1S/C5H12O2/c1-5(7-2)3-4-6/h5-6H,3-4H2,1-2H3/t5-/m0/s1","InChI=1S/C4H8O2.CH4/c1-6-4-2-3-5;/h5H,2-3H2,1H3;1H4",72.34988,62.53658000000001,
10727,[C:1]([O:2][C@@:3]([C:4]([H:12])([H:13])[H:14])([C:5]([C:6]([O:7][H:19])([H:17])[H:18])([H:15])[H:16])[H:11])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:13].[O:2]=[C:3]([C:4]([C:5]([C:6]([O:7][H:19])([H:17])[H:18])([H:15])[H:16])([H:12])[H:14])[H:11],"InChI=1S/C5H12O2/c1-5(7-2)3-4-6/h5-6H,3-4H2,1-2H3/t5-/m0/s1","InChI=1S/C4H8O2.CH4/c5-3-1-2-4-6;/h3,6H,1-2,4H2;1H4",77.49880999999999,1.83981,
10728,[C:1]([O:2][C@@:3]([C:4]([H:12])([H:13])[H:14])([C:5]([C:6]([O:7][H:19])([H:17])[H:18])([H:15])[H:16])[H:11])([H:8])([H:9])[H:10],[C:1]([O:2][H:19])([H:8])([H:9])[H:10].[C@:3]1([C:4]([H:12])([H:13])[H:14])([H:11])[C:5]([H:15])([H:16])[C:6]([H:17])([H:18])[O:7]1,"InChI=1S/C5H12O2/c1-5(7-2)3-4-6/h5-6H,3-4H2,1-2H3/t5-/m0/s1","InChI=1S/C4H8O.CH4O/c1-4-2-3-5-4;1-2/h4H,2-3H2,1H3;2H,1H3/t4-;/m0./s1",61.79452,26.946709999999996,
10729,[C:1]([O:2][C@@:3]([C:4]([H:12])([H:13])[H:14])([C:5]([C:6]([O:7][H:19])([H:17])[H:18])([H:15])[H:16])[H:11])([H:8])([H:9])[H:10],[C:1]([O:2][H:19])([H:8])([H:9])[H:10].[C:3]([C:4]([H:12])([H:13])[H:14])([C@:5]1([H:15])[C:6]([H:17])([H:18])[O:7]1)([H:11])[H:16],"InChI=1S/C5H12O2/c1-5(7-2)3-4-6/h5-6H,3-4H2,1-2H3/t5-/m0/s1","InChI=1S/C4H8O.CH4O/c1-2-4-3-5-4;1-2/h4H,2-3H2,1H3;2H,1H3/t4-;/m1./s1",70.29055,28.47012,
10730,[C:1]([O:2][C@@:3]([C:4]([H:12])([H:13])[H:14])([C:5]([C:6]([O:7][H:19])([H:17])[H:18])([H:15])[H:16])[H:11])([H:8])([H:9])[H:10],[C:1]([O:2][C@@:3]([C:4]([H:12])([H:13])[H:14])([C:5](=[C:6]([H:17])[H:18])[H:15])[H:11])([H:8])([H:9])[H:10].[O:7]([H:16])[H:19],"InChI=1S/C5H12O2/c1-5(7-2)3-4-6/h5-6H,3-4H2,1-2H3/t5-/m0/s1","InChI=1S/C5H10O.H2O/c1-4-5(2)6-3;/h4-5H,1H2,2-3H3;1H2/t5-;/m0./s1",63.86505,16.07355,"1,3_Insertion_ROR"
10731,[C:1]([O:2][C@@:3]([C:4]([H:12])([H:13])[H:14])([C:5]([C:6]([O:7][H:19])([H:17])[H:18])([H:15])[H:16])[H:11])([H:8])([H:9])[H:10],[C:1]([O:2][H:19])([H:8])([H:9])[H:10].[C:3]([C:4]([H:12])([H:13])[H:14])(=[C:5]([H:15])[H:16])[H:11].[C:6](=[O:7])([H:17])[H:18],"InChI=1S/C5H12O2/c1-5(7-2)3-4-6/h5-6H,3-4H2,1-2H3/t5-/m0/s1","InChI=1S/C3H6.CH4O.CH2O/c1-3-2;2*1-2/h3H,1H2,2H3;2H,1H3;1H2",44.64179,34.21372,
10732,[C:1]([O:2][C@@:3]([C:4]([H:12])([H:13])[H:14])([C:5]([C:6]([O:7][H:19])([H:17])[H:18])([H:15])[H:16])[H:11])([H:8])([H:9])[H:10],[C:1]([O+:2]=[C-:3][C:4]([H:12])([H:13])[H:14])([H:8])([H:9])[H:10].[C:5]([C:6]([O:7][H:19])([H:17])[H:18])([H:11])([H:15])[H:16],"InChI=1S/C5H12O2/c1-5(7-2)3-4-6/h5-6H,3-4H2,1-2H3/t5-/m0/s1","InChI=1S/C3H6O.C2H6O/c1-3-4-2;1-2-3/h1-2H3;3H,2H2,1H3",70.9964,65.05887,
10733,[C:1]([O:2][C@@:3]([C:4]([H:12])([H:13])[H:14])([C:5]([C:6]([O:7][H:19])([H:17])[H:18])([H:15])[H:16])[H:11])([H:8])([H:9])[H:10],[C-:1]([O+:2]=[C:3]([C:5]([C:6]([O:7][H:19])([H:17])[H:18])([H:15])[H:16])[H:11])([H:8])[H:10].[C:4]([H:9])([H:12])([H:13])[H:14],"InChI=1S/C5H12O2/c1-5(7-2)3-4-6/h5-6H,3-4H2,1-2H3/t5-/m0/s1","InChI=1S/C4H8O2.CH4/c1-6-4-2-3-5;/h4-5H,1-3H2;1H4",76.86912,63.275980000000004,
10734,[C:1]([O:2][C@@:3]([C:4]([H:12])([H:13])[H:14])([C:5]([C:6]([O:7][H:19])([H:17])[H:18])([H:15])[H:16])[H:11])([H:8])([H:9])[H:10],[C:1]([O:2][C@:3]1([H:11])[C:5]([H:15])([H:16])[C@@:6]1([O:7][H:19])[H:18])([H:8])([H:9])[H:10].[C:4]([H:12])([H:13])([H:14])[H:17],"InChI=1S/C5H12O2/c1-5(7-2)3-4-6/h5-6H,3-4H2,1-2H3/t5-/m0/s1","InChI=1S/C4H8O2.CH4/c1-6-4-2-3(4)5;/h3-5H,2H2,1H3;1H4/t3-,4+;/m0./s1",87.54419,27.646320000000003,
10735,[C:1]([O:2][C@@:3]([C:4]([H:12])([H:13])[H:14])([C:5]([C:6]([O:7][H:19])([H:17])[H:18])([H:15])[H:16])[H:11])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:17].[O:2]([C@@:3]([C:4]([H:12])([H:13])[H:14])([C:5]([C:6](=[O:7])[H:18])([H:15])[H:16])[H:11])[H:19],"InChI=1S/C5H12O2/c1-5(7-2)3-4-6/h5-6H,3-4H2,1-2H3/t5-/m0/s1","InChI=1S/C4H8O2.CH4/c1-4(6)2-3-5;/h3-4,6H,2H2,1H3;1H4/t4-;/m0./s1",70.92255,-6.46779,
10736,[C:1]([O:2][C@@:3]([C:4]([H:12])([H:13])[H:14])([C:5]([C:6]([O:7][H:19])([H:17])[H:18])([H:15])[H:16])[H:11])([H:8])([H:9])[H:10],[C:1]([O:2][C@@:3]([C:4]([H:12])([H:13])[H:14])([C:5]([O:7][H:19])([H:15])[H:16])[H:11])([H:8])([H:9])[H:10].[C:6]([H:17])[H:18],"InChI=1S/C5H12O2/c1-5(7-2)3-4-6/h5-6H,3-4H2,1-2H3/t5-/m0/s1","InChI=1S/C4H10O2.CH2/c1-4(3-5)6-2;/h4-5H,3H2,1-2H3;1H2/t4-;/m0./s1",114.43475,118.71642,
10737,[C:1]([O:2][C@@:3]([C:4]([H:12])([H:13])[H:14])([C:5]([C:6]([O:7][H:19])([H:17])[H:18])([H:15])[H:16])[H:11])([H:8])([H:9])[H:10],[C:1]([O:2][C:4]([H:12])([H:13])[H:14])([H:8])([H:9])[H:10].[C:3]([C:5]([C:6]([O:7][H:19])([H:17])[H:18])([H:15])[H:16])[H:11],"InChI=1S/C5H12O2/c1-5(7-2)3-4-6/h5-6H,3-4H2,1-2H3/t5-/m0/s1","InChI=1S/C3H6O.C2H6O/c1-2-3-4;1-3-2/h1,4H,2-3H2;1-2H3",114.18314,112.23008,
10738,[C:1]([O:2][C@@:3]([C:4]([H:12])([H:13])[H:14])([C:5]([C:6]([O:7][H:19])([H:17])[H:18])([H:15])[H:16])[H:11])([H:8])([H:9])[H:10],[C:1]([O:2][H:19])([H:8])([H:9])[H:10].[C:3]([C:4]([H:12])([H:13])[H:14])[H:11].[C:5]1([H:15])([H:16])[C:6]([H:17])([H:18])[O:7]1,"InChI=1S/C5H12O2/c1-5(7-2)3-4-6/h5-6H,3-4H2,1-2H3/t5-/m0/s1","InChI=1S/C2H4O.C2H4.CH4O/c1-2-3-1;2*1-2/h1-2H2;1H,2H3;2H,1H3",111.84373000000001,137.13969,
10739,[C:1]([O:2][C@@:3]([C:4]([H:12])([H:13])[H:14])([C:5]([C:6]([O:7][H:19])([H:17])[H:18])([H:15])[H:16])[H:11])([H:8])([H:9])[H:10],[C:1]([O:2][C@@:3]([C:4]([H:12])([H:13])[H:14])([C:5]([C:6](=[O:7])[H:18])([H:15])[H:16])[H:11])([H:8])([H:9])[H:10].[H:17][H:19],"InChI=1S/C5H12O2/c1-5(7-2)3-4-6/h5-6H,3-4H2,1-2H3/t5-/m0/s1","InChI=1S/C5H10O2.H2/c1-5(7-2)3-4-6;/h4-5H,3H2,1-2H3;1H/t5-;/m0./s1",86.59243000000001,21.52905,
10740,[C:1]([O:2][C@@:3]([C:4]([H:12])([H:13])[H:14])([C:5]([C:6]([O:7][H:19])([H:17])[H:18])([H:15])[H:16])[H:11])([H:8])([H:9])[H:10],[C:1]([O:2][C@@:3]([C:4]([H:12])([H:13])[H:14])(/[C:5](=[C:6](\[O:7][H:19])[H:18])[H:15])[H:11])([H:8])([H:9])[H:10].[H:16][H:17],"InChI=1S/C5H12O2/c1-5(7-2)3-4-6/h5-6H,3-4H2,1-2H3/t5-/m0/s1","InChI=1S/C5H10O2.H2/c1-5(7-2)3-4-6;/h3-6H,1-2H3;1H/b4-3-;/t5-;/m0./s1",94.27224,22.09495,
10741,[C:1]([O:2][C@@:3]([C:4]([H:12])([H:13])[H:14])([C:5]([C:6]([O:7][H:19])([H:17])[H:18])([H:15])[H:16])[H:11])([H:8])([H:9])[H:10],[C:1]([O:2]/[C:3]([C:4]([H:12])([H:13])[H:14])=[C:5](\[C:6]([O:7][H:19])([H:17])[H:18])[H:15])([H:8])([H:9])[H:10].[H:11][H:16],"InChI=1S/C5H12O2/c1-5(7-2)3-4-6/h5-6H,3-4H2,1-2H3/t5-/m0/s1","InChI=1S/C5H10O2.H2/c1-5(7-2)3-4-6;/h3,6H,4H2,1-2H3;1H/b5-3-;",98.97724000000001,28.19223,
10742,[C:1]([O:2][C@@:3]([C:4]([H:12])([H:13])[H:14])([C:5]([C:6]([O:7][H:19])([H:17])[H:18])([H:15])[H:16])[H:11])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:16].[O:2]=[C:3]([C@@:5]([C:4]([H:12])([H:13])[H:14])([C:6]([O:7][H:19])([H:17])[H:18])[H:15])[H:11],"InChI=1S/C5H12O2/c1-5(7-2)3-4-6/h5-6H,3-4H2,1-2H3/t5-/m0/s1","InChI=1S/C4H8O2.CH4/c1-4(2-5)3-6;/h2,4,6H,3H2,1H3;1H4/t4-;/m1./s1",83.5972,-0.65842,
10743,[C:1]([O:2][C@@:3]([C:4]([H:12])([H:13])[H:14])([C:5]([C:6]([O:7][H:19])([H:17])[H:18])([H:15])[H:16])[H:11])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]([C:4]([H:12])([H:13])[H:14])([C:5]([H:15])([H:16])[H:17])[H:11])([H:8])([H:9])[H:10].[C:6]([O:7][H:19])[H:18],"InChI=1S/C5H12O2/c1-5(7-2)3-4-6/h5-6H,3-4H2,1-2H3/t5-/m0/s1","InChI=1S/C4H10O.CH2O/c1-4(2)5-3;1-2/h4H,1-3H3;1-2H",74.81006,78.14944,
10744,[C:1]([O:2][C@@:3]([C:4]([H:12])([H:13])[H:14])([C:5]([C:6]([O:7][H:19])([H:17])[H:18])([H:15])[H:16])[H:11])([H:8])([H:9])[H:10],[C:1]([O:7][C:6]([C:5]([C@@:3]([O:2][H:19])([C:4]([H:12])([H:13])[H:14])[H:11])([H:15])[H:16])([H:17])[H:18])([H:8])([H:9])[H:10],"InChI=1S/C5H12O2/c1-5(7-2)3-4-6/h5-6H,3-4H2,1-2H3/t5-/m0/s1","InChI=1S/C5H12O2/c1-5(6)3-4-7-2/h5-6H,3-4H2,1-2H3/t5-/m0/s1",64.71885999999999,-0.6272399999999999,
10745,[O:1]([C:2]([C:3]([C:4]#[C:5][H:12])([C:6]#[C:7][H:13])[H:11])([H:9])[H:10])[H:8],[O:1]([C:2]([C:3](=[C:4]=[C:5]([H:11])[H:12])[C:6]#[C:7][H:13])([H:9])[H:10])[H:8],"InChI=1S/C6H6O/c1-3-6(4-2)5-7/h1-2,6-7H,5H2","InChI=1S/C6H6O/c1-3-6(4-2)5-7/h1,7H,2,5H2",54.50881999999999,-11.323319999999999,
10746,[O:1]([C:2]([C:3]([C:4]#[C:5][H:12])([C:6]#[C:7][H:13])[H:11])([H:9])[H:10])[H:8],[O:1]([C:2]([C@@:3]([C:5](=[C:4])[H:12])([C:6]#[C:7][H:13])[H:11])([H:9])[H:10])[H:8],"InChI=1S/C6H6O/c1-3-6(4-2)5-7/h1-2,6-7H,5H2","InChI=1S/C6H6O/c1-3-6(4-2)5-7/h1,4,6-7H,5H2/t6-/m1/s1",55.77666,52.33364,Singlet_Carbene_Intra_Disproportionation
10747,[O:1]([C:2]([C:3]([C:4]#[C:5][H:12])([C:6]#[C:7][H:13])[H:11])([H:9])[H:10])[H:8],[O:1]([C:2](/[C:3](=[C:4](/[C:5][H:12])[H:11])[C:6]#[C:7][H:13])([H:9])[H:10])[H:8],"InChI=1S/C6H6O/c1-3-6(4-2)5-7/h1-2,6-7H,5H2","InChI=1S/C6H6O/c1-3-6(4-2)5-7/h1-3,7H,5H2/b6-3+",54.480740000000004,49.77326,
10748,[O:1]([C:2]([C:3]([C:4]#[C:5][H:12])([C:6]#[C:7][H:13])[H:11])([H:9])[H:10])[H:8],[O:1]([C:2]([C:3]1([H:11])[C-:4]=[C:5]([H:12])[C:7]([H:13])=[C+:6]1)([H:9])[H:10])[H:8],"InChI=1S/C6H6O/c1-3-6(4-2)5-7/h1-2,6-7H,5H2","InChI=1S/C6H6O/c7-5-6-3-1-2-4-6/h1-2,6-7H,5H2",74.74252,47.577329999999996,
10749,[O:1]([C:2]([C:3]([C:4]#[C:5][H:12])([C:6]#[C:7][H:13])[H:11])([H:9])[H:10])[H:8],[O:1]1[C:2]([H:9])([H:10])[C@@:3]([C:6]#[C:7][H:13])([H:11])[C:4]1=[C:5]([H:8])[H:12],"InChI=1S/C6H6O/c1-3-6(4-2)5-7/h1-2,6-7H,5H2","InChI=1S/C6H6O/c1-3-6-4-7-5(6)2/h1,6H,2,4H2/t6-/m0/s1",62.85651,-11.40097,
10750,[O:1]([C:2]([C:3]([C:4]#[C:5][H:12])([C:6]#[C:7][H:13])[H:11])([H:9])[H:10])[H:8],[C:3](=[C:4]=[C:5]([H:8])[H:12])([C:6]#[C:7][H:13])[H:11].[O:1]=[C:2]([H:9])[H:10],"InChI=1S/C6H6O/c1-3-6(4-2)5-7/h1-2,6-7H,5H2","InChI=1S/C5H4.CH2O/c1-3-5-4-2;1-2/h1,5H,2H2;1H2",22.22273,6.95242,Retroene
10751,[O:1]([C:2]([C:3]([C:4]#[C:5][H:12])([C:6]#[C:7][H:13])[H:11])([H:9])[H:10])[H:8],[O:1]([C:2]([C:7](=[C:6]=[C:3]([C:4]#[C:5][H:12])[H:11])[H:13])([H:9])[H:10])[H:8],"InChI=1S/C6H6O/c1-3-6(4-2)5-7/h1-2,6-7H,5H2","InChI=1S/C6H6O/c1-2-3-4-5-6-7/h1,3,5,7H,6H2",48.17968,-10.55713,
10752,[O:1]([C:2]([C:3]([C:4]#[C:5][H:12])([C:6]#[C:7][H:13])[H:11])([H:9])[H:10])[H:8],[O:1](/[C:5](=[C:4]1\[C:2]([H:9])([H:10])[C@@:3]1([C:6]#[C:7][H:13])[H:11])[H:12])[H:8],"InChI=1S/C6H6O/c1-3-6(4-2)5-7/h1-2,6-7H,5H2","InChI=1S/C6H6O/c1-2-5-3-6(5)4-7/h1,4-5,7H,3H2/b6-4+/t5-/m0/s1",62.0238,-6.23993,
10753,[O:1]([C:2]([C:3]([C:4]#[C:5][H:12])([C:6]#[C:7][H:13])[H:11])([H:9])[H:10])[H:8],[O:1]([C:2]([C@@:3]1([H:11])[C:6]([C:4]#[C:5][H:12])=[C:7]1[H:13])([H:9])[H:10])[H:8],"InChI=1S/C6H6O/c1-3-6(4-2)5-7/h1-2,6-7H,5H2","InChI=1S/C6H6O/c1-2-5-3-6(5)4-7/h1,3,6-7H,4H2/t6-/m0/s1",92.34121,6.714289999999999,
10754,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]([H:14])[C@:5]1([C:6]#[N:7])[H:15])([H:8])([H:9])[H:10],[C:1]([C:2][C:3]([N:4]([C:5]([C:6]#[N:7])([H:11])[H:15])[H:14])([H:12])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-4-3-7-5(4)2-6/h4-5,7H,3H2,1H3/t4-,5-/m0/s1","InChI=1S/C5H8N2/c1-2-4-7-5-3-6/h7H,4-5H2,1H3",73.1072,69.31336,
10755,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]([H:14])[C@:5]1([C:6]#[N:7])[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]([H:14])[C:5]1=[C:6]=[N:7][H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-4-3-7-5(4)2-6/h4-5,7H,3H2,1H3/t4-,5-/m0/s1","InChI=1S/C5H8N2/c1-4-3-7-5(4)2-6/h4,6-7H,3H2,1H3/t4-/m0/s1",88.03144,22.03425,
10756,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]([H:14])[C@:5]1([C:6]#[N:7])[H:15])([H:8])([H:9])[H:10],[C:1]1([H:8])([H:10])[C:2]([H:9])([H:11])[C:3]([H:12])([H:13])[N:4]([H:14])[C:5]([H:15])=[C:6]=[N:7]1,"InChI=1S/C5H8N2/c1-4-3-7-5(4)2-6/h4-5,7H,3H2,1H3/t4-,5-/m0/s1","InChI=1S/C5H8N2/c1-2-6-4-5-7-3-1/h4,6H,1-3H2",76.62733,21.63054,
10757,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]([H:14])[C@:5]1([C:6]#[N:7])[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]([C:3]([N:4]([C:5][H:15])[H:14])([H:12])[H:13])([C:6]#[N:7])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-4-3-7-5(4)2-6/h4-5,7H,3H2,1H3/t4-,5-/m0/s1","InChI=1S/C5H8N2/c1-5(3-6)4-7-2/h2,5,7H,4H2,1H3/t5-/m1/s1",70.84606,34.79272,
10758,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]([H:14])[C@:5]1([C:6]#[N:7])[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]([H:14])[C@:5]1([N+:7]#[C-:6])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-4-3-7-5(4)2-6/h4-5,7H,3H2,1H3/t4-,5-/m0/s1","InChI=1S/C5H8N2/c1-4-3-7-5(4)6-2/h4-5,7H,3H2,1H3/t4-,5+/m0/s1",48.19859,22.814989999999998,
10759,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]([H:14])[C@:5]1([C:6]#[N:7])[H:15])([H:8])([H:9])[H:10],[C:1]([N+:4]1([H:14])[C:3]([H:12])([H:13])[C-:2]([H:11])[C@@:5]1([C:6]#[N:7])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-4-3-7-5(4)2-6/h4-5,7H,3H2,1H3/t4-,5-/m0/s1","InChI=1S/C5H7N2/c1-7-3-2-5(7)4-6/h2,5H,3H2,1H3/q-1/p+1/t5-/m1/s1",97.65515,72.63064,
10760,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]([H:14])[C@:5]1([C:6]#[N:7])[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]=[C:5]1[H:15])([H:8])([H:9])[H:10].[C:6]=[N:7][H:14],"InChI=1S/C5H8N2/c1-4-3-7-5(4)2-6/h4-5,7H,3H2,1H3/t4-,5-/m0/s1","InChI=1S/C4H7N.CHN/c1-4-2-5-3-4;1-2/h2,4H,3H2,1H3;2H/t4-;/m1./s1",53.083369999999995,44.68542,
10761,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]([H:14])[C@:5]1([C:6]#[N:7])[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]([H:14])[C:6]2=[N:7][C@@:5]12[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-4-3-7-5(4)2-6/h4-5,7H,3H2,1H3/t4-,5-/m0/s1","InChI=1S/C5H8N2/c1-3-2-6-5-4(3)7-5/h3-4H,2H2,1H3,(H,6,7)/t3-,4-/m0/s1",65.82253,36.94947,
10762,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]([H:14])[C@:5]1([C:6]#[N:7])[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N+:4]([H:14])([H:15])[C-:5]1[C:6]#[N:7])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-4-3-7-5(4)2-6/h4-5,7H,3H2,1H3/t4-,5-/m0/s1","InChI=1S/C5H8N2/c1-4-3-7-5(4)2-6/h4H,3,7H2,1H3/t4-/m0/s1",61.864380000000004,41.28082,
10763,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]([H:14])[C@:5]1([C:6]#[N:7])[H:15])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:5]([N:4]([C:3][H:13])[H:14])([C:6]#[N:7])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-4-3-7-5(4)2-6/h4-5,7H,3H2,1H3/t4-,5-/m0/s1","InChI=1S/C5H8N2/c1-3-5(4-6)7-2/h2,5,7H,3H2,1H3/t5-/m1/s1",74.77329,37.14432,
10764,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]([H:14])[C@:5]1([C:6]#[N:7])[H:15])([H:8])([H:9])[H:10],[C:1](=[C:2]([C:5]([C:6]#[N:7])([H:10])[H:15])[H:11])([H:8])[H:9].[C:3](=[N:4][H:14])([H:12])[H:13],"InChI=1S/C5H8N2/c1-4-3-7-5(4)2-6/h4-5,7H,3H2,1H3/t4-,5-/m0/s1","InChI=1S/C4H5N.CH3N/c1-2-3-4-5;1-2/h2H,1,3H2;2H,1H2",92.89052,11.3905,
10765,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]([H:14])[C@:5]1([C:6]#[N:7])[H:15])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:13].[C:2]1([H:11])=[C:3]([H:12])[N:4]([H:14])[C@:5]1([C:6]#[N:7])[H:15],"InChI=1S/C5H8N2/c1-4-3-7-5(4)2-6/h4-5,7H,3H2,1H3/t4-,5-/m0/s1","InChI=1S/C4H4N2.CH4/c5-3-4-1-2-6-4;/h1-2,4,6H;1H4/t4-;/m1./s1",107.6488,22.84294,
10766,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]([H:14])[C@:5]1([C:6]#[N:7])[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])=[N:4][C@:5]1([C:6]#[N:7])[H:15])([H:8])([H:9])[H:10].[H:13][H:14],"InChI=1S/C5H8N2/c1-4-3-7-5(4)2-6/h4-5,7H,3H2,1H3/t4-,5-/m0/s1","InChI=1S/C5H6N2.H2/c1-4-3-7-5(4)2-6;/h3-5H,1H3;1H/t4-,5-;/m0./s1",93.60536,27.01535,
10767,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]([H:14])[C@:5]1([C:6]#[N:7])[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C-:3]([H:13])[N+:4]([H:12])([H:14])[C@:5]1([C:6]#[N:7])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-4-3-7-5(4)2-6/h4-5,7H,3H2,1H3/t4-,5-/m0/s1","InChI=1S/C5H8N2/c1-4-3-7-5(4)2-6/h3-5H,7H2,1H3/t4-,5-/m0/s1",76.52943,65.35844,
10768,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]([H:14])[C@:5]1([C:6]#[N:7])[H:15])([H:8])([H:9])[H:10],[C:1]1([H:8])([H:9])[C@@:2]2([H:11])[C:3]([H:12])([H:13])[N:4]([H:14])[C@@:5]12[C:6]#[N:7].[H:10][H:15],"InChI=1S/C5H8N2/c1-4-3-7-5(4)2-6/h4-5,7H,3H2,1H3/t4-,5-/m0/s1","InChI=1S/C5H6N2.H2/c6-3-5-1-4(5)2-7-5;/h4,7H,1-2H2;1H/t4-,5+;/m0./s1",91.1065,39.5577,
10769,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]([H:14])[C@:5]1([C:6]#[N:7])[H:15])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]([H:12])[H:13])[H:11])([H:8])([H:9])[H:10].[N:4](=[C:5](\[C:6]#[N:7])[H:15])\[H:14],"InChI=1S/C5H8N2/c1-4-3-7-5(4)2-6/h4-5,7H,3H2,1H3/t4-,5-/m0/s1","InChI=1S/C3H6.C2H2N2/c1-3-2;3-1-2-4/h3H,1H2,2H3;1,3H/b;3-1-",70.7087,9.316130000000001,
10770,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]([H:14])[C@:5]1([C:6]#[N:7])[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]([C:3]([N:4]([C:6]#[N:7])[H:14])([H:12])[H:13])([C:5][H:15])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-4-3-7-5(4)2-6/h4-5,7H,3H2,1H3/t4-,5-/m0/s1","InChI=1S/C5H8N2/c1-5(2)3-7-4-6/h1,5,7H,3H2,2H3/t5-/m0/s1",83.12713000000001,84.14635,
10771,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]([H:14])[C@:5]1([C:6]#[N:7])[H:15])([H:8])([H:9])[H:10],[C:1]([C-:2]1[C:3]([H:12])([H:13])[N+:4]([H:11])([H:14])[C@:5]1([C:6]#[N:7])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-4-3-7-5(4)2-6/h4-5,7H,3H2,1H3/t4-,5-/m0/s1","InChI=1S/C5H7N2/c1-4-3-7-5(4)2-6/h5,7H,3H2,1H3/q-1/p+1/t5-/m0/s1",73.49885,65.48829,
10772,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]([H:14])[C@:5]1([C:6]#[N:7])[H:15])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([N:4]([C+:5]=[C:6]=[N-:7])[H:14])([H:12])[H:13])([H:11])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-4-3-7-5(4)2-6/h4-5,7H,3H2,1H3/t4-,5-/m0/s1","InChI=1S/C5H8N2/c1-2-4-7-5-3-6/h7H,2,4H2,1H3",73.54899999999999,18.492070000000002,
10773,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]([H:14])[C@:5]1([C:6]#[N:7])[H:15])([H:8])([H:9])[H:10],[C:1]([C:2][C@@:5]([N:4]([C:3]([H:11])([H:12])[H:13])[H:14])([C:6]#[N:7])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-4-3-7-5(4)2-6/h4-5,7H,3H2,1H3/t4-,5-/m0/s1","InChI=1S/C5H8N2/c1-3-5(4-6)7-2/h5,7H,1-2H3/t5-/m1/s1",75.15275,72.90576,
10774,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]([H:14])[C@:5]1([C:6]#[N:7])[H:15])([H:8])([H:9])[H:10],[C:1]([C:3]([C@@:2]1([H:11])[N:4]([H:14])[C@:5]1([C:6]#[N:7])[H:15])([H:12])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-4-3-7-5(4)2-6/h4-5,7H,3H2,1H3/t4-,5-/m0/s1","InChI=1S/C5H8N2/c1-2-4-5(3-6)7-4/h4-5,7H,2H2,1H3/t4-,5+/m1/s1",94.01565,-0.17594,
10775,[C:1]([C:2]12[C:3]([H:11])([H:12])[C:4]([O:5][H:13])([C:6]1([H:14])[H:15])[C:7]2([H:16])[H:17])([H:8])([H:9])[H:10],[C:1]([C:2]1([C:3]([C:4][O:5][H:13])([H:11])[H:12])[C:6]([H:14])([H:15])[C:7]1([H:16])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-5-2-6(7,3-5)4-5/h7H,2-4H2,1H3","InChI=1S/C6H10O/c1-6(2-3-6)4-5-7/h7H,2-4H2,1H3",88.07601,33.17215,
10776,[C:1]([C:2]12[C:3]([H:11])([H:12])[C:4]([O:5][H:13])([C:6]1([H:14])[H:15])[C:7]2([H:16])[H:17])([H:8])([H:9])[H:10],[C:1]([C:2]12[C:3]([H:11])([H:12])[C:4]1([C:6]([O:5][H:13])([H:14])[H:15])[C:7]2([H:16])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-5-2-6(7,3-5)4-5/h7H,2-4H2,1H3","InChI=1S/C6H10O/c1-5-2-6(5,3-5)4-7/h7H,2-4H2,1H3",70.09515999999999,2.77365,
10777,[C:1]([C:2]12[C:3]([H:11])([H:12])[C:4]([O:5][H:13])([C:6]1([H:14])[H:15])[C:7]2([H:16])[H:17])([H:8])([H:9])[H:10],[C:1]([C@:2]12[C:3]([H:11])([H:12])[C:4](=[O:5])[C@@:6]1([H:14])[C:7]2([H:16])[H:17])([H:8])([H:9])[H:10].[H:13][H:15],"InChI=1S/C6H10O/c1-5-2-6(7,3-5)4-5/h7H,2-4H2,1H3","InChI=1S/C6H8O.H2/c1-6-2-4(6)5(7)3-6;/h4H,2-3H2,1H3;1H/t4-,6+;/m1./s1",78.67519,2.83669,
10778,[C:1]([C:2]12[C:3]([H:11])([H:12])[C:4]([O:5][H:13])([C:6]1([H:14])[H:15])[C:7]2([H:16])[H:17])([H:8])([H:9])[H:10],[C:1]([C:2]1([C:7]([H:13])([H:16])[H:17])[C:3]([H:11])([H:12])[C:4](=[O:5])[C:6]1([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-5-2-6(7,3-5)4-5/h7H,2-4H2,1H3","InChI=1S/C6H10O/c1-6(2)3-5(7)4-6/h3-4H2,1-2H3",56.05698,-33.21366,
10779,[C:1]([C:2]12[C:3]([H:11])([H:12])[C:4]([O:5][H:13])([C:6]1([H:14])[H:15])[C:7]2([H:16])[H:17])([H:8])([H:9])[H:10],[C:1]([C:7]([C-:2]1[C:3]([H:11])([H:12])[C+:4]([O:5][H:13])[C:6]1([H:14])[H:15])([H:16])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-5-2-6(7,3-5)4-5/h7H,2-4H2,1H3","InChI=1S/C6H10O/c1-2-5-3-6(7)4-5/h7H,2-4H2,1H3",94.37774,49.860279999999996,
10780,[C:1]([C:2]12[C:3]([H:11])([H:12])[C:4]([O:5][H:13])([C:6]1([H:14])[H:15])[C:7]2([H:16])[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:16])[C:3]([H:11])([H:12])[C@:4]([O:5][H:13])([C:7][H:17])[C:6]1([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-5-2-6(7,3-5)4-5/h7H,2-4H2,1H3","InChI=1S/C6H10O/c1-5-3-6(2,7)4-5/h2,5,7H,3-4H2,1H3/t5-,6+",74.21349000000001,63.39043,
10781,[C:1]([C:2]12[C:3]([H:11])([H:12])[C:4]([O:5][H:13])([C:6]1([H:14])[H:15])[C:7]2([H:16])[H:17])([H:8])([H:9])[H:10],[C:1]([C:2][C:3]([C:4]1([O:5][H:13])[C:6]([H:14])([H:15])[C:7]1([H:16])[H:17])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-5-2-6(7,3-5)4-5/h7H,2-4H2,1H3","InChI=1S/C6H10O/c1-2-3-6(7)4-5-6/h7H,3-5H2,1H3",98.3937,61.57828000000001,
10782,[N:1]#[C:2][C@@:3]1([H:8])[C:4]([H:9])([H:10])[N:5]=[C:6]([H:11])[N:7]1[H:12],[N:1]#[C:2][C:3]([N:7]([C:6](=[N+:5]=[C-:4][H:10])[H:11])[H:12])([H:8])[H:9],"InChI=1S/C4H5N3/c5-1-4-2-6-3-7-4/h3-4H,2H2,(H,6,7)/t4-/m0/s1","InChI=1S/C4H5N3/c1-6-4-7-3-2-5/h1,4,7H,3H2",52.36639,48.92647,
10783,[N:1]#[C:2][C@@:3]1([H:8])[C:4]([H:9])([H:10])[N:5]=[C:6]([H:11])[N:7]1[H:12],[N:1]#[C:2][C:4](/[C:3](=[N:7]/[H:12])[H:8])([H:9])[H:10].[N:5]#[C:6][H:11],"InChI=1S/C4H5N3/c5-1-4-2-6-3-7-4/h3-4H,2H2,(H,6,7)/t4-/m0/s1","InChI=1S/C3H4N2.CHN/c4-2-1-3-5;1-2/h2,4H,1H2;1H/b4-2+;",84.55355,18.8143,
10784,[N:1]#[C:2][C@@:3]1([H:8])[C:4]([H:9])([H:10])[N:5]=[C:6]([H:11])[N:7]1[H:12],[N+:1]1#[C:2][C@@:3]2([H:8])[C:4]([H:9])([H:10])[C@@:6]([H:11])([N-:5]1)[N:7]2[H:12],"InChI=1S/C4H5N3/c5-1-4-2-6-3-7-4/h3-4H,2H2,(H,6,7)/t4-/m0/s1","InChI=1S/C4H5N3/c1-3-2-5-7-4(1)6-3/h3-4,6H,1H2/t3-,4-/m1/s1",130.75867,102.39206,
10785,[N:1]#[C:2][C@@:3]1([H:8])[C:4]([H:9])([H:10])[N:5]=[C:6]([H:11])[N:7]1[H:12],[N:1]#[C:2][C@@:3]1([H:8])[C:4]([H:9])=[N:5][C-:6]([H:11])[N+:7]1([H:10])[H:12],"InChI=1S/C4H5N3/c5-1-4-2-6-3-7-4/h3-4H,2H2,(H,6,7)/t4-/m0/s1","InChI=1S/C4H5N3/c5-1-4-2-6-3-7-4/h2-4H,7H2/t4-/m0/s1",69.17268,56.09848,
10786,[N:1]#[C:2][C@@:3]1([H:8])[C:4]([H:9])([H:10])[N:5]=[C:6]([H:11])[N:7]1[H:12],[N:1]#[C:2][C:4](/[N:5]=[C:6](\[N+:7](=[C-:3][H:8])[H:12])[H:11])([H:9])[H:10],"InChI=1S/C4H5N3/c5-1-4-2-6-3-7-4/h3-4H,2H2,(H,6,7)/t4-/m0/s1","InChI=1S/C4H5N3/c1-6-4-7-3-2-5/h1,4,6H,3H2/b7-4-",75.12324,63.85824,
10787,[N:1]#[C:2][C@@:3]1([H:8])[C:4]([H:9])([H:10])[N:5]=[C:6]([H:11])[N:7]1[H:12],[C:4]1([H:9])([H:10])[N:5]=[C:6]1[H:11].[N:1]#[C:2]/[C:3](=[N:7]\[H:12])[H:8],"InChI=1S/C4H5N3/c5-1-4-2-6-3-7-4/h3-4H,2H2,(H,6,7)/t4-/m0/s1","InChI=1S/C2H2N2.C2H3N/c3-1-2-4;1-2-3-1/h1,3H;1H,2H2/b3-1-;",87.51590999999999,58.52932,
10788,[N:1]#[C:2][C@@:3]1([H:8])[C:4]([H:9])([H:10])[N:5]=[C:6]([H:11])[N:7]1[H:12],[N:1]#[C:2][C@@:3]1([H:8])[C:4]([H:9])=[N:5][C:6]([H:10])([H:11])[N:7]1[H:12],"InChI=1S/C4H5N3/c5-1-4-2-6-3-7-4/h3-4H,2H2,(H,6,7)/t4-/m0/s1","InChI=1S/C4H5N3/c5-1-4-2-6-3-7-4/h2,4,7H,3H2/t4-/m0/s1",103.38856,10.16545,
10789,[N:1]#[C:2][C@@:3]1([H:8])[C:4]([H:9])([H:10])[N:5]=[C:6]([H:11])[N:7]1[H:12],[N+:1](#[C-:2])[C@@:3]1([H:8])[C:4]([H:9])([H:10])[N:5]=[C:6]([H:11])[N:7]1[H:12],"InChI=1S/C4H5N3/c5-1-4-2-6-3-7-4/h3-4H,2H2,(H,6,7)/t4-/m0/s1","InChI=1S/C4H5N3/c1-5-4-2-6-3-7-4/h3-4H,2H2,(H,6,7)/t4-/m1/s1",49.29318,22.6106,
10790,[N:1]#[C:2][C@@:3]1([H:8])[C:4]([H:9])([H:10])[N:5]=[C:6]([H:11])[N:7]1[H:12],[N:1]1=[C:2]2[C@:3]1([H:8])[C:4]([H:9])([H:10])[N:5]=[C:6]([H:11])[N:7]2[H:12],"InChI=1S/C4H5N3/c5-1-4-2-6-3-7-4/h3-4H,2H2,(H,6,7)/t4-/m0/s1","InChI=1S/C4H5N3/c1-3-4(7-3)6-2-5-1/h2-3H,1H2,(H,5,6,7)/t3-/m0/s1",68.69921,42.65098,
10791,[N:1]#[C:2][C@@:3]1([H:8])[C:4]([H:9])([H:10])[N:5]=[C:6]([H:11])[N:7]1[H:12],[N:1]#[C:2][C@@:3]1([H:8])[C:4]([H:9])([H:10])[N:5]([H:12])[C:6]([H:11])=[N:7]1,"InChI=1S/C4H5N3/c5-1-4-2-6-3-7-4/h3-4H,2H2,(H,6,7)/t4-/m0/s1","InChI=1S/C4H5N3/c5-1-4-2-6-3-7-4/h3-4H,2H2,(H,6,7)/t4-/m0/s1",75.8434,0.74537,
10792,[N:1]#[C:2][C@@:3]1([H:8])[C:4]([H:9])([H:10])[N:5]=[C:6]([H:11])[N:7]1[H:12],[C:3]1([H:8])=[N:7][C:6]([H:11])=[N:5][C:4]1([H:9])[H:10].[N:1](=[C:2])[H:12],"InChI=1S/C4H5N3/c5-1-4-2-6-3-7-4/h3-4H,2H2,(H,6,7)/t4-/m0/s1","InChI=1S/C3H4N2.CHN/c1-2-5-3-4-1;1-2/h1,3H,2H2;2H",52.70366,40.09194,
10793,[N:1]#[C:2][C@@:3]1([H:8])[C:4]([H:9])([H:10])[N:5]=[C:6]([H:11])[N:7]1[H:12],[N-:1]=[C:2]=[C:3]1[C:4]([H:9])([H:10])[N:5]([H:8])[C+:6]([H:11])[N:7]1[H:12],"InChI=1S/C4H5N3/c5-1-4-2-6-3-7-4/h3-4H,2H2,(H,6,7)/t4-/m0/s1","InChI=1S/C4H5N3/c5-1-4-2-6-3-7-4/h3,6-7H,2H2",60.322280000000006,29.08672,
10794,[N:1]#[C:2][C@@:3]1([H:8])[C:4]([H:9])([H:10])[N:5]=[C:6]([H:11])[N:7]1[H:12],[N:1]1=[C:2]=[C:3]([H:8])[C:4]([H:9])([H:10])[N:5]2[C@:6]1([H:11])[N:7]2[H:12],"InChI=1S/C4H5N3/c5-1-4-2-6-3-7-4/h3-4H,2H2,(H,6,7)/t4-/m0/s1","InChI=1S/C4H5N3/c1-2-5-4-6-7(4)3-1/h1,4,6H,3H2/t4-,7?/m0/s1",126.15535,82.66794,
10795,[N:1]#[C:2][C@@:3]1([H:8])[C:4]([H:9])([H:10])[N:5]=[C:6]([H:11])[N:7]1[H:12],[N+:1]1([H:10])=[C-:2][C@@:3]2([H:8])[C@:4]1([H:9])[N:5]=[C:6]([H:11])[N:7]2[H:12],"InChI=1S/C4H5N3/c5-1-4-2-6-3-7-4/h3-4H,2H2,(H,6,7)/t4-/m0/s1","InChI=1S/C4H5N3/c1-3-4(5-1)7-2-6-3/h2-5H,(H,6,7)/t3-,4-/m0/s1",103.3358,59.6517,
10796,[N:1]#[C:2][C@@:3]1([H:8])[C:4]([H:9])([H:10])[N:5]=[C:6]([H:11])[N:7]1[H:12],[N+:1](#[C-:2])[N-:5][C+:6]([N:7]([C:3](=[C:4]([H:9])[H:10])[H:8])[H:12])[H:11],"InChI=1S/C4H5N3/c5-1-4-2-6-3-7-4/h3-4H,2H2,(H,6,7)/t4-/m0/s1","InChI=1S/C4H5N3/c1-3-6-4-7-5-2/h3-4,6H,1H2",126.0483,58.22662,
10797,[N:1]#[C:2][C@@:3]1([H:8])[C:4]([H:9])([H:10])[N:5]=[C:6]([H:11])[N:7]1[H:12],[N:1]#[C:2][C@@:3]1([H:8])[C:4]([H:9])([H:10])[N:5]1/[C:6](=[N:7]/[H:12])[H:11],"InChI=1S/C4H5N3/c5-1-4-2-6-3-7-4/h3-4H,2H2,(H,6,7)/t4-/m0/s1","InChI=1S/C4H5N3/c5-1-4-2-7(4)3-6/h3-4,6H,2H2/b6-3+/t4-,7?/m0/s1",54.46493,25.134529999999998,
10798,[N:1]#[C:2][C@@:3]1([H:8])[C:4]([H:9])([H:10])[N:5]=[C:6]([H:11])[N:7]1[H:12],[N-:1]=[C:2]=[C:3]([N:7]([C:6](=[N+:5]=[C:4]([H:9])[H:10])[H:11])[H:12])[H:8],"InChI=1S/C4H5N3/c5-1-4-2-6-3-7-4/h3-4H,2H2,(H,6,7)/t4-/m0/s1","InChI=1S/C4H4N3/c1-6-4-7-3-2-5/h3-4H,1H2/q-1/p+1",31.81083,28.787329999999997,
10799,[N:1]#[C:2][C@@:3]1([H:8])[C:4]([H:9])([H:10])[N:5]=[C:6]([H:11])[N:7]1[H:12],[N:1](=[C:2]=[C:3]1[C:4]([H:9])([H:10])[N:5]=[C:6]([H:11])[N:7]1[H:12])[H:8],"InChI=1S/C4H5N3/c5-1-4-2-6-3-7-4/h3-4H,2H2,(H,6,7)/t4-/m0/s1","InChI=1S/C4H5N3/c5-1-4-2-6-3-7-4/h3,5H,2H2,(H,6,7)",76.34728,18.31567,
10800,[N:1]#[C:2][C@@:3]1([H:8])[C:4]([H:9])([H:10])[N:5]=[C:6]([H:11])[N:7]1[H:12],[C:4](=[N+:5]=[C-:6][H:11])([H:9])[H:10].[N:1]#[C:2]/[C:3](=[N:7]\[H:12])[H:8],"InChI=1S/C4H5N3/c5-1-4-2-6-3-7-4/h3-4H,2H2,(H,6,7)/t4-/m0/s1","InChI=1S/C2H2N2.C2H3N/c3-1-2-4;1-3-2/h1,3H;1H,2H2/b3-1-;",56.97849,62.676590000000004,
10801,[N:1]#[C:2][C@@:3]1([H:8])[C:4]([H:9])([H:10])[N:5]=[C:6]([H:11])[N:7]1[H:12],[N:1]1=[N:5][C:4]([H:9])([H:10])[C@:3]2([H:8])[C:2]1=[C:6]([H:11])[N:7]2[H:12],"InChI=1S/C4H5N3/c5-1-4-2-6-3-7-4/h3-4H,2H2,(H,6,7)/t4-/m0/s1","InChI=1S/C4H5N3/c1-4-3(5-1)2-6-7-4/h1,3,5H,2H2/t3-/m1/s1",140.01443,69.26705,
10802,[N:1]#[C:2][C@@:3]1([H:8])[C:4]([H:9])([H:10])[N:5]=[C:6]([H:11])[N:7]1[H:12],[N:1]1=[C:2]=[C:3]([H:8])[N:7]([H:12])[C@:6]1([N:5]=[C:4]([H:9])[H:10])[H:11],"InChI=1S/C4H5N3/c5-1-4-2-6-3-7-4/h3-4H,2H2,(H,6,7)/t4-/m0/s1","InChI=1S/C4H5N3/c1-5-4-6-2-3-7-4/h2,4,6H,1H2/t4-/m1/s1",97.51475,79.36024,
10803,[N:1]#[C:2][C@@:3]1([H:8])[C:4]([H:9])([H:10])[N:5]=[C:6]([H:11])[N:7]1[H:12],[N:1]#[C:2][C-:3]1[C:4]([H:9])([H:10])[N:5]=[C:6]([H:11])[N+:7]1([H:8])[H:12],"InChI=1S/C4H5N3/c5-1-4-2-6-3-7-4/h3-4H,2H2,(H,6,7)/t4-/m0/s1","InChI=1S/C4H5N3/c5-1-4-2-6-3-7-4/h3H,2,7H2",70.46704,53.41138,
10804,[N:1]#[C:2][C@@:3]1([H:8])[C:4]([H:9])([H:10])[N:5]=[C:6]([H:11])[N:7]1[H:12],[N:1]#[C:2][C:3](=[C:4]([H:9])[H:10])[H:8].[N:5]#[C:6][N:7]([H:11])[H:12],"InChI=1S/C4H5N3/c5-1-4-2-6-3-7-4/h3-4H,2H2,(H,6,7)/t4-/m0/s1","InChI=1S/C3H3N.CH2N2/c1-2-3-4;2-1-3/h2H,1H2;2H2",82.27945,15.74436,
10805,[N:1]#[C:2][C@@:3]1([H:8])[C:4]([H:9])([H:10])[N:5]=[C:6]([H:11])[N:7]1[H:12],[N:1]#[C:2][C@@:3]1([H:8])[C-:4]([H:10])[N:5]([H:9])[C+:6]([H:11])[N:7]1[H:12],"InChI=1S/C4H5N3/c5-1-4-2-6-3-7-4/h3-4H,2H2,(H,6,7)/t4-/m0/s1","InChI=1S/C4H5N3/c5-1-4-2-6-3-7-4/h2-4,6-7H/t4-/m0/s1",71.04735,46.69299,
10806,[N:1]#[C:2][C@@:3]1([H:8])[C:4]([H:9])([H:10])[N:5]=[C:6]([H:11])[N:7]1[H:12],[N:1]1=[C:6]([H:11])[N:5]1[C:4]([C@:3]1([H:8])[C:2][N:7]1[H:12])([H:9])[H:10],"InChI=1S/C4H5N3/c5-1-4-2-6-3-7-4/h3-4H,2H2,(H,6,7)/t4-/m0/s1","InChI=1S/C4H5N3/c1-4(5-1)2-7-3-6-7/h3-5H,2H2/t4-,7?/m0/s1",142.05023,139.757,
10807,[N:1]#[C:2][C@@:3]1([H:8])[C:4]([H:9])([H:10])[N:5]=[C:6]([H:11])[N:7]1[H:12],[N:1]1=[C:6]([H:11])[N:7]([H:12])[C@@:3]2([H:8])[C:2]1=[N:5][C:4]2([H:9])[H:10],"InChI=1S/C4H5N3/c5-1-4-2-6-3-7-4/h3-4H,2H2,(H,6,7)/t4-/m0/s1","InChI=1S/C4H5N3/c1-3-4(5-1)7-2-6-3/h2-3H,1H2,(H,5,6,7)/t3-/m1/s1",124.85511000000001,36.29805,
10808,[N:1]#[C:2][C@@:3]1([H:8])[C:4]([H:9])([H:10])[N:5]=[C:6]([H:11])[N:7]1[H:12],[N:1]#[C:2][C@@:3]1([H:8])[C:4]([H:9])([H:10])[N:5]([H:11])[C:6][N:7]1[H:12],"InChI=1S/C4H5N3/c5-1-4-2-6-3-7-4/h3-4H,2H2,(H,6,7)/t4-/m0/s1","InChI=1S/C4H5N3/c5-1-4-2-6-3-7-4/h4,6-7H,2H2/t4-/m0/s1",64.2748,28.681720000000002,
10809,[N:1]#[C:2][C@@:3]1([H:8])[C:4]([H:9])([H:10])[N:5]=[C:6]([H:11])[N:7]1[H:12],[N:1]#[C:2][C@@:3]1([H:8])[C:4]([H:9])([H:10])[N:7]1[H:12].[N:5]#[C:6][H:11],"InChI=1S/C4H5N3/c5-1-4-2-6-3-7-4/h3-4H,2H2,(H,6,7)/t4-/m0/s1","InChI=1S/C3H4N2.CHN/c4-1-3-2-5-3;1-2/h3,5H,2H2;1H/t3-;/m0./s1",85.90853,36.50391,
10810,[N:1]#[C:2][C@@:3]1([H:8])[C:4]([H:9])([H:10])[N:5]=[C:6]([H:11])[N:7]1[H:12],[N:1]#[C:2]/[C:3]([C:4]([H:8])([H:9])[H:10])=[N:7]\[H:12].[N:5]#[C:6][H:11],"InChI=1S/C4H5N3/c5-1-4-2-6-3-7-4/h3-4H,2H2,(H,6,7)/t4-/m0/s1","InChI=1S/C3H4N2.CHN/c1-3(5)2-4;1-2/h5H,1H3;1H/b5-3-;",80.21471,14.377579999999998,
10811,[N:1]#[C:2][C@@:3]1([H:8])[C:4]([H:9])([H:10])[N:5]=[C:6]([H:11])[N:7]1[H:12],[N-:1]=[C:2]=[C:3]=[N+:7](/[C:6](=[N:5]\[C:4]([H:8])([H:9])[H:10])[H:11])[H:12],"InChI=1S/C4H5N3/c5-1-4-2-6-3-7-4/h3-4H,2H2,(H,6,7)/t4-/m0/s1","InChI=1S/C4H4N3/c1-6-4-7-3-2-5/h4H,1H3/q-1/p+1/b6-4-",60.801080000000006,45.49225,
10812,[N:1]#[C:2][C@@:3]1([H:8])[C:4]([H:9])([H:10])[N:5]=[C:6]([H:11])[N:7]1[H:12],[N:1]#[C:2][C@@:3]([C:4]([N+:5]#[C-:6])([H:9])[H:10])([N:7]([H:11])[H:12])[H:8],"InChI=1S/C4H5N3/c5-1-4-2-6-3-7-4/h3-4H,2H2,(H,6,7)/t4-/m0/s1","InChI=1S/C4H5N3/c1-7-3-4(6)2-5/h4H,3,6H2/t4-/m0/s1",69.41967,24.00092,
10813,[C:1]([C:2]([C@@:3]([O:4][H:14])([C@@:5]([C:6]([H:16])([H:17])[H:18])([O:7][H:19])[H:15])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:3]([O:4][H:14])([C:5][H:15])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10].[C:6]([O:7][H:19])([H:16])([H:17])[H:18],"InChI=1S/C5H12O2/c1-3-5(7)4(2)6/h4-7H,3H2,1-2H3/t4-,5-/m1/s1","InChI=1S/C4H8O.CH4O/c1-3-4(2)5;1-2/h2,4-5H,3H2,1H3;2H,1H3/t4-;/m0./s1",116.08344,27.50426,
10814,[C:1]([C:2]([C@@:3]([O:4][H:14])([C@@:5]([C:6]([H:16])([H:17])[H:18])([O:7][H:19])[H:15])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:3]([O:4][H:14])([C:5][O:7][H:19])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10].[C:6]([H:15])([H:16])([H:17])[H:18],"InChI=1S/C5H12O2/c1-3-5(7)4(2)6/h4-7H,3H2,1-2H3/t4-,5-/m1/s1","InChI=1S/C4H8O2.CH4/c1-2-4(6)3-5;/h4-6H,2H2,1H3;1H4/t4-;/m1./s1",73.36905,64.3367,
10815,[C:1]([C:2]([C@@:3]([O:4][H:14])([C@@:5]([C:6]([H:16])([H:17])[H:18])([O:7][H:19])[H:15])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](=[C:2]([H:11])[H:12])([H:8])[H:10].[C:3](\[O:4][H:14])(=[C:5](/[C:6]([H:16])([H:17])[H:18])[O:7][H:19])[H:13].[H:9][H:15],"InChI=1S/C5H12O2/c1-3-5(7)4(2)6/h4-7H,3H2,1-2H3/t4-,5-/m1/s1","InChI=1S/C3H6O2.C2H4.H2/c1-3(5)2-4;1-2;/h2,4-5H,1H3;1-2H2;1H/b3-2-;;",75.81264,47.36223,
10816,[C:1]([C:2]([C@@:3]([O:4][H:14])([C@@:5]([C:6]([H:16])([H:17])[H:18])([O:7][H:19])[H:15])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:3](/[O:4][H:14])[H:13])[H:11])([H:8])([H:9])[H:10].[C:5]([C:6]([H:16])([H:17])[H:18])(=[O:7])[H:15].[H:12][H:19],"InChI=1S/C5H12O2/c1-3-5(7)4(2)6/h4-7H,3H2,1-2H3/t4-,5-/m1/s1","InChI=1S/C3H6O.C2H4O.H2/c1-2-3-4;1-2-3;/h2-4H,1H3;2H,1H3;1H/b3-2+;;",63.98738,38.16517,
10817,[C:1]([C:2]([C@@:3]([O:4][H:14])([C@@:5]([C:6]([H:16])([H:17])[H:18])([O:7][H:19])[H:15])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:3]([O:4][H:14])([C:5](=[O:7])[H:15])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10].[C:6]([H:16])([H:17])([H:18])[H:19],"InChI=1S/C5H12O2/c1-3-5(7)4(2)6/h4-7H,3H2,1-2H3/t4-,5-/m1/s1","InChI=1S/C4H8O2.CH4/c1-2-4(6)3-5;/h3-4,6H,2H2,1H3;1H4/t4-;/m1./s1",73.89966,7.59272,
10818,[C:1]([C:2]([C@@:3]([O:4][H:14])([C@@:5]([C:6]([H:16])([H:17])[H:18])([O:7][H:19])[H:15])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:14].[C:2]([C:3](=[O:4])[H:13])([C@@:5]([C:6]([H:16])([H:17])[H:18])([O:7][H:19])[H:15])([H:11])[H:12],"InChI=1S/C5H12O2/c1-3-5(7)4(2)6/h4-7H,3H2,1-2H3/t4-,5-/m1/s1","InChI=1S/C4H8O2.CH4/c1-4(6)2-3-5;/h3-4,6H,2H2,1H3;1H4/t4-;/m1./s1",78.0376,6.782430000000001,
10819,[C:1]([C:2]([C@@:3]([O:4][H:14])([C@@:5]([C:6]([H:16])([H:17])[H:18])([O:7][H:19])[H:15])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([C:5]([C:6]([H:16])([H:17])[H:18])=[O:7])([H:13])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10].[O:4]([H:14])[H:19],"InChI=1S/C5H12O2/c1-3-5(7)4(2)6/h4-7H,3H2,1-2H3/t4-,5-/m1/s1","InChI=1S/C5H10O.H2O/c1-3-4-5(2)6;/h3-4H2,1-2H3;1H2",55.03676,-1.1287399999999999,
10820,[C:1]([C:2]([C@@:3]([O:4][H:14])([C@@:5]([C:6]([H:16])([H:17])[H:18])([O:7][H:19])[H:15])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2](/[C:3](=[C:5](\[C:6]([H:16])([H:17])[H:18])[O:7][H:19])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10].[O:4]([H:14])[H:15],"InChI=1S/C5H12O2/c1-3-5(7)4(2)6/h4-7H,3H2,1-2H3/t4-,5-/m1/s1","InChI=1S/C5H10O.H2O/c1-3-4-5(2)6;/h4,6H,3H2,1-2H3;1H2/b5-4+;",63.55307,9.64213,"1,3_Insertion_ROR"
10821,[C:1]([C:2]([C@@:3]([O:4][H:14])([C@@:5]([C:6]([H:16])([H:17])[H:18])([O:7][H:19])[H:15])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([H:11])([H:12])[H:19])([H:8])([H:9])[H:10].[C:3](=[O:4])([C@@:5]([C:6]([H:16])([H:17])[H:18])([O:7][H:14])[H:15])[H:13],"InChI=1S/C5H12O2/c1-3-5(7)4(2)6/h4-7H,3H2,1-2H3/t4-,5-/m1/s1","InChI=1S/C3H6O2.C2H6/c1-3(5)2-4;1-2/h2-3,5H,1H3;1-2H3/t3-;/m1./s1",61.10482,10.31215,
10822,[C:1]([C:2]([C@@:3]([O:4][H:14])([C@@:5]([C:6]([H:16])([H:17])[H:18])([O:7][H:19])[H:15])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([C:5]([O:4][H:14])([C:6]([H:16])([H:17])[H:18])[O:7][H:19])([H:13])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H12O2/c1-3-5(7)4(2)6/h4-7H,3H2,1-2H3/t4-,5-/m1/s1","InChI=1S/C5H12O2/c1-3-4-5(2,6)7/h6-7H,3-4H2,1-2H3",82.03526,-6.37412,
10823,[C:1]([C:2]([C@@:3]([O:4][H:14])([C@@:5]([C:6]([H:16])([H:17])[H:18])([O:7][H:19])[H:15])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](=[C:2]([C@@:3]([O:4][H:14])([C@@:5]([C:6]([H:16])([H:17])[H:18])([O:7][H:19])[H:15])[H:13])[H:11])([H:8])[H:10].[H:9][H:12],"InChI=1S/C5H12O2/c1-3-5(7)4(2)6/h4-7H,3H2,1-2H3/t4-,5-/m1/s1","InChI=1S/C5H10O2.H2/c1-3-5(7)4(2)6;/h3-7H,1H2,2H3;1H/t4-,5-;/m1./s1",110.89423000000001,32.25184,
10824,[C:1]([C:2]([C@@:3]([O:4][H:14])([C@@:5]([C:6]([H:16])([H:17])[H:18])([O:7][H:19])[H:15])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:3]([O:4][H:17])([C:5](=[C:6]([H:16])[H:18])[H:15])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10].[O:7]([H:14])[H:19],"InChI=1S/C5H12O2/c1-3-5(7)4(2)6/h4-7H,3H2,1-2H3/t4-,5-/m1/s1","InChI=1S/C5H10O.H2O/c1-3-5(6)4-2;/h3,5-6H,1,4H2,2H3;1H2/t5-;/m0./s1",68.38463,16.45874,"1,3_Insertion_ROR"
10825,[C:1]([C:2]([C@@:3]([O:4][H:14])([C@@:5]([C:6]([H:16])([H:17])[H:18])([O:7][H:19])[H:15])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2](/[C:3]([O:4][H:14])=[C:5](\[C:6]([H:16])([H:17])[H:18])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10].[O:7]([H:13])[H:19],"InChI=1S/C5H12O2/c1-3-5(7)4(2)6/h4-7H,3H2,1-2H3/t4-,5-/m1/s1","InChI=1S/C5H10O.H2O/c1-3-5(6)4-2;/h3,6H,4H2,1-2H3;1H2/b5-3+;",64.6697,9.64076,"1,3_Insertion_ROR"
10826,[C:1]([C:2]([C@@:3]([O:4][H:14])([C@@:5]([C:6]([H:16])([H:17])[H:18])([O:7][H:19])[H:15])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:3]([O:4][H:19])([C:5]([C:6]([H:16])([H:17])[H:18])=[O:7])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10].[H:14][H:15],"InChI=1S/C5H12O2/c1-3-5(7)4(2)6/h4-7H,3H2,1-2H3/t4-,5-/m1/s1","InChI=1S/C5H10O2.H2/c1-3-5(7)4(2)6;/h5,7H,3H2,1-2H3;1H/t5-;/m1./s1",50.68688,13.407910000000001,
10827,[C:1]([C:2]([C@@:3]([O:4][H:14])([C@@:5]([C:6]([H:16])([H:17])[H:18])([O:7][H:19])[H:15])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3](=[O:4])[C:5]([C:6]([H:16])([H:17])[H:18])([H:13])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10].[O:7]([H:14])[H:19],"InChI=1S/C5H12O2/c1-3-5(7)4(2)6/h4-7H,3H2,1-2H3/t4-,5-/m1/s1","InChI=1S/C5H10O.H2O/c1-3-5(6)4-2;/h3-4H2,1-2H3;1H2",53.585480000000004,-0.50851,
10828,[C:1]([C:2]([C@@:3]([O:4][H:14])([C@@:5]([C:6]([H:16])([H:17])[H:18])([O:7][H:19])[H:15])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:3]([O:4][H:14])([C:5](=[C:6]([H:16])[H:18])[O:7][H:19])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10].[H:15][H:17],"InChI=1S/C5H12O2/c1-3-5(7)4(2)6/h4-7H,3H2,1-2H3/t4-,5-/m1/s1","InChI=1S/C5H10O2.H2/c1-3-5(7)4(2)6;/h5-7H,2-3H2,1H3;1H/t5-;/m1./s1",100.7346,25.25059,
10829,[C:1]([C:2]([C@@:3]([O:4][H:14])([C@@:5]([C:6]([H:16])([H:17])[H:18])([O:7][H:19])[H:15])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([O:4][H:14])([O:7][H:19])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10].[C:5]([C:6]([H:16])([H:17])[H:18])[H:15],"InChI=1S/C5H12O2/c1-3-5(7)4(2)6/h4-7H,3H2,1-2H3/t4-,5-/m1/s1","InChI=1S/C3H8O2.C2H4/c1-2-3(4)5;1-2/h3-5H,2H2,1H3;1H,2H3",101.71247,99.61256999999999,
10830,[C:1]([C:2]([C@@:3]([O:4][H:14])([C@@:5]([C:6]([H:16])([H:17])[H:18])([O:7][H:19])[H:15])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]1([H:9])([H:10])[C:2]([H:11])([H:12])[C:3]1([C@@:5]([C:6]([H:16])([H:17])[H:18])([O:7][H:19])[H:15])[H:13].[O:4]([H:8])[H:14],"InChI=1S/C5H12O2/c1-3-5(7)4(2)6/h4-7H,3H2,1-2H3/t4-,5-/m1/s1","InChI=1S/C5H10O.H2O/c1-4(6)5-2-3-5;/h4-6H,2-3H2,1H3;1H2/t4-;/m1./s1",87.56045999999999,22.67744,
10831,[C:1]([C:2]([C@@:3]([O:4][H:14])([C@@:5]([C:6]([H:16])([H:17])[H:18])([O:7][H:19])[H:15])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:3]([O:4][H:14])([C:6]([H:16])([H:17])[H:18])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10].[C:5]([O:7][H:19])[H:15],"InChI=1S/C5H12O2/c1-3-5(7)4(2)6/h4-7H,3H2,1-2H3/t4-,5-/m1/s1","InChI=1S/C4H10O.CH2O/c1-3-4(2)5;1-2/h4-5H,3H2,1-2H3;1-2H/t4-;/m0./s1",120.11663,79.78658,
10832,[C:1]([C:2]([C@@:3]([O:4][H:14])([C@@:5]([C:6]([H:16])([H:17])[H:18])([O:7][H:19])[H:15])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C@:2]1([H:11])[C:3]([O:4][H:14])([H:13])[C@:5]1([C:6]([H:16])([H:17])[H:18])[H:15])([H:8])([H:9])[H:10].[O:7]([H:12])[H:19],"InChI=1S/C5H12O2/c1-3-5(7)4(2)6/h4-7H,3H2,1-2H3/t4-,5-/m1/s1","InChI=1S/C5H10O.H2O/c1-3-4(2)5(3)6;/h3-6H,1-2H3;1H2/t3-,4-;/m0./s1",85.84583,22.39957,
10833,[C:1]([C:2]([C@@:3]([O:4][H:14])([C@@:5]([C:6]([H:16])([H:17])[H:18])([O:7][H:19])[H:15])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3](=[O:4])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10].[C:5]([C:6]([H:16])([H:17])[H:18])([O:7][H:14])([H:15])[H:19],"InChI=1S/C5H12O2/c1-3-5(7)4(2)6/h4-7H,3H2,1-2H3/t4-,5-/m1/s1","InChI=1S/C3H6O.C2H6O/c1-2-3-4;1-2-3/h3H,2H2,1H3;3H,2H2,1H3",80.98255,16.00658,
10834,[C:1]([C:2]([C@@:3]([O:4][H:14])([C@@:5]([C:6]([H:16])([H:17])[H:18])([O:7][H:19])[H:15])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3](=[O:4])[C@@:5]([C:6]([H:16])([H:17])[H:18])([O:7][H:19])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10].[H:13][H:14],"InChI=1S/C5H12O2/c1-3-5(7)4(2)6/h4-7H,3H2,1-2H3/t4-,5-/m1/s1","InChI=1S/C5H10O2.H2/c1-3-5(7)4(2)6;/h4,6H,3H2,1-2H3;1H/t4-;/m1./s1",74.57427,13.38993,
10835,[C:1]([C:2]([C@@:3]([O:4][H:14])([C@@:5]([C:6]([H:16])([H:17])[H:18])([O:7][H:19])[H:15])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:4][H:14])([H:8])([H:9])[H:10].[C:2](=[C:3]([C@@:5]([C:6]([H:16])([H:17])[H:18])([O:7][H:19])[H:15])[H:13])([H:11])[H:12],"InChI=1S/C5H12O2/c1-3-5(7)4(2)6/h4-7H,3H2,1-2H3/t4-,5-/m1/s1","InChI=1S/C4H8O.CH4O/c1-3-4(2)5;1-2/h3-5H,1H2,2H3;2H,1H3/t4-;/m1./s1",96.47596999999999,30.324990000000003,"1,3_Insertion_ROR"
10836,[C:1]([C:2]([C@@:3]([O:4][H:14])([C@@:5]([C:6]([H:16])([H:17])[H:18])([O:7][H:19])[H:15])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([H:11])([H:12])[H:13])([H:8])([H:9])[H:10].[C:3]([O:4][H:14])[C@@:5]([C:6]([H:16])([H:17])[H:18])([O:7][H:19])[H:15],"InChI=1S/C5H12O2/c1-3-5(7)4(2)6/h4-7H,3H2,1-2H3/t4-,5-/m1/s1","InChI=1S/C3H6O2.C2H6/c1-3(5)2-4;1-2/h3-5H,1H3;1-2H3/t3-;/m1./s1",68.6824,61.825869999999995,
10837,[C:1]([C:2]([C@@:3]([O:4][H:14])([C@@:5]([C:6]([H:16])([H:17])[H:18])([O:7][H:19])[H:15])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2](/[C:3](=[C:5](\[O:7][H:19])[H:15])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10].[O:4]([C:6]([H:16])([H:17])[H:18])[H:14],"InChI=1S/C5H12O2/c1-3-5(7)4(2)6/h4-7H,3H2,1-2H3/t4-,5-/m1/s1","InChI=1S/C4H8O.CH4O/c1-2-3-4-5;1-2/h3-5H,2H2,1H3;2H,1H3/b4-3-;",98.09439,26.442970000000003,"1,3_Insertion_ROR"
10838,[C:1]([C:2]([C@@:3]([O:4][H:14])([C@@:5]([C:6]([H:16])([H:17])[H:18])([O:7][H:19])[H:15])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:3]1([H:13])[O:4][C@@:5]1([C:6]([H:16])([H:17])[H:18])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10].[O:7]([H:14])[H:19],"InChI=1S/C5H12O2/c1-3-5(7)4(2)6/h4-7H,3H2,1-2H3/t4-,5-/m1/s1","InChI=1S/C5H10O.H2O/c1-3-5-4(2)6-5;/h4-5H,3H2,1-2H3;1H2/t4-,5-;/m1./s1",53.569069999999996,24.036089999999998,
10839,[C:1](/[C:2](=[N:3]/[H:11])[O:4][C:5]1([H:12])[C:6]([H:13])([H:14])[C:7]1([H:15])[H:16])([H:8])([H:9])[H:10],[C:1]([C:2]([N:3]([C:6]([C:5](=[C:7]([H:15])[H:16])[H:12])([H:13])[H:14])[H:11])=[O:4])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-4(6)7-5-2-3-5/h5-6H,2-3H2,1H3/b6-4-","InChI=1S/C5H9NO/c1-3-4-6-5(2)7/h3H,1,4H2,2H3,(H,6,7)",47.57673,-22.13795,
10840,[C:1](/[C:2](=[N:3]/[H:11])[O:4][C:5]1([H:12])[C:6]([H:13])([H:14])[C:7]1([H:15])[H:16])([H:8])([H:9])[H:10],[C:1]([C:2]#[N:3])([H:8])([H:9])[H:10].[O:4]([C:5]1([H:12])[C:6]([H:13])([H:14])[C:7]1([H:15])[H:16])[H:11],"InChI=1S/C5H9NO/c1-4(6)7-5-2-3-5/h5-6H,2-3H2,1H3/b6-4-","InChI=1S/C3H6O.C2H3N/c4-3-1-2-3;1-2-3/h3-4H,1-2H2;1H3",48.51527,7.9964699999999995,
10841,[C:1](/[C:2](=[N:3]/[H:11])[O:4][C:5]1([H:12])[C:6]([H:13])([H:14])[C:7]1([H:15])[H:16])([H:8])([H:9])[H:10],[C:1]([C:2]([N:3]([H:11])[H:13])=[O:4])([H:8])([H:9])[H:10].[C:5]1([H:12])=[C:6]([H:14])[C:7]1([H:15])[H:16],"InChI=1S/C5H9NO/c1-4(6)7-5-2-3-5/h5-6H,2-3H2,1H3/b6-4-","InChI=1S/C3H4.C2H5NO/c1-2-3-1;1-2(3)4/h1-2H,3H2;1H3,(H2,3,4)",51.967220000000005,23.3582,Retroene
10842,[C:1](/[C:2](=[N:3]/[H:11])[O:4][C:5]1([H:12])[C:6]([H:13])([H:14])[C:7]1([H:15])[H:16])([H:8])([H:9])[H:10],[C:1](/[C:2](=[N:3]/[H:11])[O:4][C@:5]([C:6][H:13])([C:7]([H:14])([H:15])[H:16])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-4(6)7-5-2-3-5/h5-6H,2-3H2,1H3/b6-4-","InChI=1S/C5H9NO/c1-4(2)7-5(3)6/h1,4,6H,2-3H3/b6-5-/t4-/m1/s1",66.90123,71.99136,
10843,[C:1](/[C:2](=[N:3]/[H:11])[O:4][C:5]1([H:12])[C:6]([H:13])([H:14])[C:7]1([H:15])[H:16])([H:8])([H:9])[H:10],[C:1]([C:2]#[N:3])([H:8])([H:9])[H:10].[H:11][H:12].[O:4]=[C:5]1[C:6]([H:13])([H:14])[C:7]1([H:15])[H:16],"InChI=1S/C5H9NO/c1-4(6)7-5-2-3-5/h5-6H,2-3H2,1H3/b6-4-",InChI=1S/C3H4O.C2H3N.H2/c4-3-1-2-3;1-2-3;/h1-2H2;1H3;1H,55.30149,35.159079999999996,
10844,[C:1](/[C:2](=[N:3]/[H:11])[O:4][C:5]1([H:12])[C:6]([H:13])([H:14])[C:7]1([H:15])[H:16])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:11].[C:2](#[N:3])[O:4][C:5]1([H:12])[C:6]([H:13])([H:14])[C:7]1([H:15])[H:16],"InChI=1S/C5H9NO/c1-4(6)7-5-2-3-5/h5-6H,2-3H2,1H3/b6-4-","InChI=1S/C4H5NO.CH4/c5-3-6-4-1-2-4;/h4H,1-2H2;1H4",93.73477,20.36842,
10845,[C:1](/[C:2](=[N:3]/[H:11])[O:4][C:5]1([H:12])[C:6]([H:13])([H:14])[C:7]1([H:15])[H:16])([H:8])([H:9])[H:10],[C:1]([N:3]([C-:2]=[O+:4][C:5]1([H:12])[C:6]([H:13])([H:14])[C:7]1([H:15])[H:16])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-4(6)7-5-2-3-5/h5-6H,2-3H2,1H3/b6-4-","InChI=1S/C5H9NO/c1-6-4-7-5-2-3-5/h5-6H,2-3H2,1H3",85.41830999999999,39.10777,
10846,[C:1](/[C:2](=[N:3]/[H:11])[O:4][C:5]1([H:12])[C:6]([H:13])([H:14])[C:7]1([H:15])[H:16])([H:8])([H:9])[H:10],[C:1]([C:2]1=[O+:4][C-:5]([H:12])[C:7]([H:15])([H:16])[C:6]([H:13])([H:14])[N:3]1[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-4(6)7-5-2-3-5/h5-6H,2-3H2,1H3/b6-4-","InChI=1S/C5H9NO/c1-5-6-3-2-4-7-5/h4,6H,2-3H2,1H3",56.594080000000005,33.12287,
10847,[C:1](/[C:2](=[N:3]/[H:11])[O:4][C:5]1([H:12])[C:6]([H:13])([H:14])[C:7]1([H:15])[H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([O:4][C:5](=[C:7]([H:15])[H:16])[H:12])[N:3]([H:11])[C:6]1([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-4(6)7-5-2-3-5/h5-6H,2-3H2,1H3/b6-4-","InChI=1S/C5H9NO/c1-3-7-5(2)4-6-5/h3,6H,1,4H2,2H3/t5-/m0/s1",73.56533,17.578,
10848,[C:1](/[C:2](=[N:3]/[H:11])[O:4][C:5]1([H:12])[C:6]([H:13])([H:14])[C:7]1([H:15])[H:16])([H:8])([H:9])[H:10],[C:1]([C:2]([N:3]([C:5]1([H:12])[C:6]([H:13])([H:14])[C:7]1([H:15])[H:16])[H:11])=[O:4])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-4(6)7-5-2-3-5/h5-6H,2-3H2,1H3/b6-4-","InChI=1S/C5H9NO/c1-4(7)6-5-2-3-5/h5H,2-3H2,1H3,(H,6,7)",46.90316,-17.06748,ketoenol
10849,[C:1](/[C:2](=[N:3]/[H:11])[O:4][C:5]1([H:12])[C:6]([H:13])([H:14])[C:7]1([H:15])[H:16])([H:8])([H:9])[H:10],[C:1](/[C:2](=[N:3]/[H:11])[C:7]([C:6]([C:5](=[O:4])[H:12])([H:13])[H:14])([H:15])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-4(6)7-5-2-3-5/h5-6H,2-3H2,1H3/b6-4-","InChI=1S/C5H9NO/c1-5(6)3-2-4-7/h4,6H,2-3H2,1H3/b6-5-",62.07643,-15.20524,
10850,[C:1](/[C:2](=[N:3]/[H:11])[O:4][C:5]1([H:12])[C:6]([H:13])([H:14])[C:7]1([H:15])[H:16])([H:8])([H:9])[H:10],[C:1]([C:2]#[N:3])([H:8])([H:9])[H:10].[O:4]=[C:5]([C:7]([C:6]([H:11])([H:13])[H:14])([H:15])[H:16])[H:12],"InChI=1S/C5H9NO/c1-4(6)7-5-2-3-5/h5-6H,2-3H2,1H3/b6-4-","InChI=1S/C3H6O.C2H3N/c1-2-3-4;1-2-3/h3H,2H2,1H3;1H3",34.13727,-10.97598,
10851,[C:1](/[C:2](=[N:3]/[H:11])[O:4][C:5]1([H:12])[C:6]([H:13])([H:14])[C:7]1([H:15])[H:16])([H:8])([H:9])[H:10],[C:1](=[C:2]([N:3]([H:10])[H:11])[O:4][C:5]1([H:12])[C:6]([H:13])([H:14])[C:7]1([H:15])[H:16])([H:8])[H:9],"InChI=1S/C5H9NO/c1-4(6)7-5-2-3-5/h5-6H,2-3H2,1H3/b6-4-","InChI=1S/C5H9NO/c1-4(6)7-5-2-3-5/h5H,1-3,6H2",59.29999,9.237910000000001,
10852,[C:1](/[C:2](=[N:3]/[H:11])[O:4][C:5]1([H:12])[C:6]([H:13])([H:14])[C:7]1([H:15])[H:16])([H:8])([H:9])[H:10],[C:1]([C@:2]1([N:3]([H:11])[H:13])[O:4][C@:5]1([C:6](=[C:7]([H:15])[H:16])[H:14])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-4(6)7-5-2-3-5/h5-6H,2-3H2,1H3/b6-4-","InChI=1S/C5H9NO/c1-3-4-5(2,6)7-4/h3-4H,1,6H2,2H3/t4-,5-/m0/s1",68.06325,4.16744,
10853,[C:1](/[C:2](=[N:3]/[H:11])[O:4][C:5]1([H:12])[C:6]([H:13])([H:14])[C:7]1([H:15])[H:16])([H:8])([H:9])[H:10],[C:1]([C:2]1=[N:3][C@:7]2([H:16])[C@:5]([H:12])([O:4]1)[C:6]2([H:13])[H:14])([H:8])([H:9])[H:10].[H:11][H:15],"InChI=1S/C5H9NO/c1-4(6)7-5-2-3-5/h5-6H,2-3H2,1H3/b6-4-","InChI=1S/C5H7NO.H2/c1-3-6-4-2-5(4)7-3;/h4-5H,2H2,1H3;1H/t4-,5+;/m0./s1",104.16824,15.4408,
10854,[C:1](/[C:2](=[N:3]/[H:11])[O:4][C:5]1([H:12])[C:6]([H:13])([H:14])[C:7]1([H:15])[H:16])([H:8])([H:9])[H:10],[C:1](/[C:2](=[N:3]/[H:11])[O:4][C:5]1=[C:7]([H:15])[C:6]1([H:13])[H:14])([H:8])([H:9])[H:10].[H:12][H:16],"InChI=1S/C5H9NO/c1-4(6)7-5-2-3-5/h5-6H,2-3H2,1H3/b6-4-","InChI=1S/C5H7NO.H2/c1-4(6)7-5-2-3-5;/h2,6H,3H2,1H3;1H/b6-4-;",116.17613,51.2246,
10855,[C:1](/[C:2](=[N:3]/[H:11])[O:4][C:5]1([H:12])[C:6]([H:13])([H:14])[C:7]1([H:15])[H:16])([H:8])([H:9])[H:10],[C:1](/[C:2](=[N:3]/[H:11])[H:15])([H:8])([H:9])[H:10].[O:4]=[C:5]([C:7](=[C:6]([H:13])[H:14])[H:16])[H:12],"InChI=1S/C5H9NO/c1-4(6)7-5-2-3-5/h5-6H,2-3H2,1H3/b6-4-","InChI=1S/C3H4O.C2H5N/c1-2-3-4;1-2-3/h2-3H,1H2;2-3H,1H3/b;3-2+",60.76265,7.47275,
10856,[C:1](/[C:2](=[N:3]/[H:11])[O:4][C:5]1([H:12])[C:6]([H:13])([H:14])[C:7]1([H:15])[H:16])([H:8])([H:9])[H:10],[C:1](/[C:2](=[N:3]/[H:11])[C:5](=[O:4])[H:12])([H:8])([H:9])[H:10].[C:6](=[C:7]([H:15])[H:16])([H:13])[H:14],"InChI=1S/C5H9NO/c1-4(6)7-5-2-3-5/h5-6H,2-3H2,1H3/b6-4-","InChI=1S/C3H5NO.C2H4/c1-3(4)2-5;1-2/h2,4H,1H3;1-2H2/b4-3-;",68.37214,7.98838,
10857,[C:1](/[C:2](=[N:3]/[H:11])[O:4][C:5]1([H:12])[C:6]([H:13])([H:14])[C:7]1([H:15])[H:16])([H:8])([H:9])[H:10],[C:1](/[C:2](=[N:3]/[H:11])[O+:4]=[C-:5][C:6]([C:7]([H:12])([H:15])[H:16])([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-4(6)7-5-2-3-5/h5-6H,2-3H2,1H3/b6-4-","InChI=1S/C5H9NO/c1-3-4-7-5(2)6/h6H,3H2,1-2H3/b6-5-",55.222919999999995,37.75891,
10858,[C:1]([C:2]([N:3]([C:4]([H:13])([H:14])[H:15])[C:5](=[O:6])[C:7]([H:16])([H:17])[H:18])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([N:3]1[C:5]([C:4]([H:13])([H:14])[H:15])([C:7]([H:16])([H:17])[H:18])[O:6]1)([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H11NO/c1-4-6(3)5(2)7/h4H2,1-3H3","InChI=1S/C5H11NO/c1-4-6-5(2,3)7-6/h4H2,1-3H3",93.93755999999999,58.64614,
10859,[C:1]([C:2]([N:3]([C:4]([H:13])([H:14])[H:15])[C:5](=[O:6])[C:7]([H:16])([H:17])[H:18])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([N:3]([C:4]([H:13])([H:14])[H:15])[C:5]([O:6][H:17])=[C:7]([H:16])[H:18])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H11NO/c1-4-6(3)5(2)7/h4H2,1-3H3","InChI=1S/C5H11NO/c1-4-6(3)5(2)7/h7H,2,4H2,1,3H3",58.84215,22.62854,ketoenol
10860,[C:1]([C:2]([N:3]([C:4]([H:13])([H:14])[H:15])[C:5](=[O:6])[C:7]([H:16])([H:17])[H:18])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([N+:3]([C-:4]([H:13])[H:14])([C:5](=[O:6])[C:7]([H:16])([H:17])[H:18])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H11NO/c1-4-6(3)5(2)7/h4H2,1-3H3","InChI=1S/C5H11NO/c1-4-6(3)5(2)7/h6H,3-4H2,1-2H3",85.44856999999999,68.88658000000001,
10861,[C:1]([C:2]([N:3]([C:4]([H:13])([H:14])[H:15])[C:5](=[O:6])[C:7]([H:16])([H:17])[H:18])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:5](=[O:6])[C:7]([H:16])([H:17])[H:18])([H:8])([H:9])[H:10].[C:2](=[N:3][C:4]([H:13])([H:14])[H:15])([H:11])[H:12],"InChI=1S/C5H11NO/c1-4-6(3)5(2)7/h4H2,1-3H3","InChI=1S/C3H6O.C2H5N/c1-3(2)4;1-3-2/h1-2H3;1H2,2H3",91.81047,28.124809999999997,
10862,[C:1]([C:2]([N:3]([C:4]([H:13])([H:14])[H:15])[C:5](=[O:6])[C:7]([H:16])([H:17])[H:18])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:6][C:5](=[N+:3]([C-:2]([H:11])[H:12])[C:4]([H:13])([H:14])[H:15])[C:7]([H:16])([H:17])[H:18])([H:8])([H:9])[H:10],"InChI=1S/C5H11NO/c1-4-6(3)5(2)7/h4H2,1-3H3","InChI=1S/C5H11NO/c1-5(7-4)6(2)3/h2H2,1,3-4H3",84.07306,69.99807,
10863,[C:1]([C:2]([N:3]([C:4]([H:13])([H:14])[H:15])[C:5](=[O:6])[C:7]([H:16])([H:17])[H:18])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([N:3]=[C:4]([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10].[C:5](=[O:6])([C:7]([H:16])([H:17])[H:18])[H:15],"InChI=1S/C5H11NO/c1-4-6(3)5(2)7/h4H2,1-3H3","InChI=1S/C3H7N.C2H4O/c1-3-4-2;1-2-3/h2-3H2,1H3;2H,1H3",80.6249,34.834109999999995,
10864,[C:1]([C:2]([N:3]([C:4]([H:13])([H:14])[H:15])[C:5](=[O:6])[C:7]([H:16])([H:17])[H:18])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([O:6]/[C:5](=[N:3]/[C:4]([H:13])([H:14])[H:15])[C:7]([H:16])([H:17])[H:18])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H11NO/c1-4-6(3)5(2)7/h4H2,1-3H3","InChI=1S/C5H11NO/c1-4-7-5(2)6-3/h4H2,1-3H3/b6-5+",57.872409999999995,14.28295,ketoenol
10865,[C:1]([C:2]([N:3]([C:4]([H:13])([H:14])[H:15])[C:5](=[O:6])[C:7]([H:16])([H:17])[H:18])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](=[C:2]([H:11])[H:12])([H:8])[H:9].[N:3](\[C:4]([H:13])([H:14])[H:15])=[C:5](/[O:6][H:10])[C:7]([H:16])([H:17])[H:18],"InChI=1S/C5H11NO/c1-4-6(3)5(2)7/h4H2,1-3H3","InChI=1S/C3H7NO.C2H4/c1-3(5)4-2;1-2/h1-2H3,(H,4,5);1-2H2",50.0098,27.50933,Retroene
10866,[C:1]([C:2]([N:3]([C:4]([H:13])([H:14])[H:15])[C:5](=[O:6])[C:7]([H:16])([H:17])[H:18])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:5]([N:3]([C:4]([H:13])([H:14])[H:15])[C:7]([H:16])([H:17])[H:18])=[O:6])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H11NO/c1-4-6(3)5(2)7/h4H2,1-3H3","InChI=1S/C5H11NO/c1-4-5(7)6(2)3/h4H2,1-3H3",108.17188999999999,2.4621299999999997,
10867,[C:1]([C:2]([N:3]([C:4]([H:13])([H:14])[H:15])[C:5](=[O:6])[C:7]([H:16])([H:17])[H:18])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]1([H:8])([H:9])[C:2]([H:11])([H:12])[N:3]([C:4]([H:13])([H:14])[H:15])[C@:5]([C:7]([H:16])([H:17])[H:18])([H:10])[O:6]1,"InChI=1S/C5H11NO/c1-4-6(3)5(2)7/h4H2,1-3H3","InChI=1S/C5H11NO/c1-5-6(2)3-4-7-5/h5H,3-4H2,1-2H3/t5-/m1/s1",101.85183,25.55975,
10868,[C:1]([C:2]([N:3]([C:4]([H:13])([H:14])[H:15])[C:5](=[O:6])[C:7]([H:16])([H:17])[H:18])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([N:3]([C:4]([H:13])([H:14])[H:15])[C@@:5]1([H:17])[O:6][C:7]1([H:16])[H:18])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H11NO/c1-4-6(3)5(2)7/h4H2,1-3H3","InChI=1S/C5H11NO/c1-3-6(2)5-4-7-5/h5H,3-4H2,1-2H3/t5-/m0/s1",97.70745,47.35366,
10869,[C:1]([C:2]([N:3]([C:4]([H:13])([H:14])[H:15])[C:5](=[O:6])[C:7]([H:16])([H:17])[H:18])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([N+:3]([C-:2]([H:11])[H:12])([C:4]([H:13])([H:14])[H:15])[C:5](=[O:6])[C:7]([H:16])([H:17])[H:18])([H:8])([H:9])[H:10],"InChI=1S/C5H11NO/c1-4-6(3)5(2)7/h4H2,1-3H3","InChI=1S/C5H11NO/c1-5(7)6(2,3)4/h2H2,1,3-4H3",112.66655,75.74809,
10870,[C:1]([C:2]([N:3]([C:4]([H:13])([H:14])[H:15])[C:5](=[O:6])[C:7]([H:16])([H:17])[H:18])([H:11])[H:12])([H:8])([H:9])[H:10],[C-:2]([N+:3](=[C:4]([H:13])[H:14])[C:5](=[O:6])[C:7]([H:16])([H:17])[H:18])([H:11])[H:12].[C:1]([H:8])([H:9])([H:10])[H:15],"InChI=1S/C5H11NO/c1-4-6(3)5(2)7/h4H2,1-3H3","InChI=1S/C4H7NO.CH4/c1-4(6)5(2)3;/h2-3H2,1H3;1H4",78.87676,59.29599,
10871,[C:1]([C:2]([N:3]([C:4]([H:13])([H:14])[H:15])[C:5](=[O:6])[C:7]([H:16])([H:17])[H:18])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2](/[N:3]=[C:5](/[O:6][C:4]([H:13])([H:14])[H:15])[C:7]([H:16])([H:17])[H:18])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H11NO/c1-4-6(3)5(2)7/h4H2,1-3H3","InChI=1S/C5H11NO/c1-4-6-5(2)7-3/h4H2,1-3H3/b6-5+",60.317919999999994,15.22548,ketoenol
10872,[C:1]([C:2]([N:3]([C:4]([H:13])([H:14])[H:15])[C:5](=[O:6])[C:7]([H:16])([H:17])[H:18])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C@:2]([N:3]([C:4]([H:13])([H:14])[H:15])[H:12])([C:5](=[O:6])[C:7]([H:16])([H:17])[H:18])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H11NO/c1-4-6(3)5(2)7/h4H2,1-3H3","InChI=1S/C5H11NO/c1-4(6-3)5(2)7/h4,6H,1-3H3/t4-/m0/s1",111.96145,13.986720000000002,
10873,[C:1]([N:2]([C:3](=[O:4])[C:5]([C:6]([H:13])([H:14])[H:15])([C:7]([H:16])([H:17])[H:18])[H:12])[H:11])([H:8])([H:9])[H:10],[C:1](/[N:2]=[C:3]1\[O:4][C:5]1([C:6]([H:13])([H:14])[H:15])[C:7]([H:16])([H:17])[H:18])([H:8])([H:9])[H:10].[H:11][H:12],"InChI=1S/C5H11NO/c1-4(2)5(7)6-3/h4H,1-3H3,(H,6,7)",InChI=1S/C5H9NO.H2/c1-5(2)4(6-3)7-5;/h1-3H3;1H/b6-4-;,77.74798,58.84251,
10874,[C:1]([N:2]([C:3](=[O:4])[C:5]([C:6]([H:13])([H:14])[H:15])([C:7]([H:16])([H:17])[H:18])[H:12])[H:11])([H:8])([H:9])[H:10],[C+:1]([N:2]([C+:3]([O-:4])[C@@:5]([C:6]([H:13])([H:14])[H:15])([C-:7]([H:17])[H:18])[H:12])[H:11])([H:9])[H:10].[H:8][H:16],"InChI=1S/C5H11NO/c1-4(2)5(7)6-3/h4H,1-3H3,(H,6,7)","InChI=1S/C5H9NO.H2/c1-4(2)5(7)6-3;/h4,6H,1,3H2,2H3;1H/t4-;/m1./s1",87.63635,95.29881,
10875,[C:1]([N:2]([C:3](=[O:4])[C:5]([C:6]([H:13])([H:14])[H:15])([C:7]([H:16])([H:17])[H:18])[H:12])[H:11])([H:8])([H:9])[H:10],[C:1]([O:4]/[C:3](=[N:2]/[H:11])[C:5]([C:6]([H:13])([H:14])[H:15])([C:7]([H:16])([H:17])[H:18])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H11NO/c1-4(2)5(7)6-3/h4H,1-3H3,(H,6,7)","InChI=1S/C5H11NO/c1-4(2)5(6)7-3/h4,6H,1-3H3/b6-5+",63.65364,16.14735,ketoenol
10876,[C:1]([N:2]([C:3](=[O:4])[C:5]([C:6]([H:13])([H:14])[H:15])([C:7]([H:16])([H:17])[H:18])[H:12])[H:11])([H:8])([H:9])[H:10],[C:1]([N:2]([C@:3]1([H:12])[O:4][C:5]1([C:6]([H:13])([H:14])[H:15])[C:7]([H:16])([H:17])[H:18])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H11NO/c1-4(2)5(7)6-3/h4H,1-3H3,(H,6,7)","InChI=1S/C5H11NO/c1-5(2)4(6-3)7-5/h4,6H,1-3H3/t4-/m1/s1",86.82391,43.58207,
10877,[C:1]([N:2]([C:3](=[O:4])[C:5]([C:6]([H:13])([H:14])[H:15])([C:7]([H:16])([H:17])[H:18])[H:12])[H:11])([H:8])([H:9])[H:10],[C:1]([N:2]([C:3][O:4][H:15])[H:11])([H:8])([H:9])[H:10].[C:5](=[C:6]([H:13])[H:14])([C:7]([H:16])([H:17])[H:18])[H:12],"InChI=1S/C5H11NO/c1-4(2)5(7)6-3/h4H,1-3H3,(H,6,7)","InChI=1S/C3H6.C2H5NO/c1-3-2;1-3-2-4/h3H,1H2,2H3;3-4H,1H3",68.33632,69.87889,
10878,[C:1]([N:2]([C:3](=[O:4])[C:5]([C:6]([H:13])([H:14])[H:15])([C:7]([H:16])([H:17])[H:18])[H:12])[H:11])([H:8])([H:9])[H:10],[C:1](=[N:2][H:11])([H:9])[H:10].[C:3](=[O:4])([C:5]([C:6]([H:13])([H:14])[H:15])([C:7]([H:16])([H:17])[H:18])[H:12])[H:8],"InChI=1S/C5H11NO/c1-4(2)5(7)6-3/h4H,1-3H3,(H,6,7)","InChI=1S/C4H8O.CH3N/c1-4(2)3-5;1-2/h3-4H,1-2H3;2H,1H2",80.3059,37.44171,
10879,[C:1]([N:2]([C:3](=[O:4])[C:5]([C:6]([H:13])([H:14])[H:15])([C:7]([H:16])([H:17])[H:18])[H:12])[H:11])([H:8])([H:9])[H:10],[C:1]([N:2]=[C:3]=[O:4])([H:8])([H:9])[H:10].[C:5]([C:6]([H:13])([H:14])[H:15])([C:7]([H:16])([H:17])[H:18])([H:11])[H:12],"InChI=1S/C5H11NO/c1-4(2)5(7)6-3/h4H,1-3H3,(H,6,7)","InChI=1S/C3H8.C2H3NO/c1-3-2;1-3-2-4/h3H2,1-2H3;1H3",72.65696,12.63236,
10880,[C:1]([N:2]([C:3](=[O:4])[C:5]([C:6]([H:13])([H:14])[H:15])([C:7]([H:16])([H:17])[H:18])[H:12])[H:11])([H:8])([H:9])[H:10],[C:1]([N:2]([C:3]([O-:4])=[C+:5][C:7]([H:16])([H:17])[H:18])[H:11])([H:8])([H:9])[H:10].[C:6]([H:12])([H:13])([H:14])[H:15],"InChI=1S/C5H11NO/c1-4(2)5(7)6-3/h4H,1-3H3,(H,6,7)","InChI=1S/C4H7NO.CH4/c1-3-4(6)5-2;/h5H,1-2H3;1H4",80.93975,82.96585999999999,
10881,[C:1]([N:2]([C:3](=[O:4])[C:5]([C:6]([H:13])([H:14])[H:15])([C:7]([H:16])([H:17])[H:18])[H:12])[H:11])([H:8])([H:9])[H:10],[C:1](/[N:2]=[C:3]1\[O:4][C@@:5]1([C:7]([H:16])([H:17])[H:18])[H:12])([H:8])([H:9])[H:10].[C:6]([H:11])([H:13])([H:14])[H:15],"InChI=1S/C5H11NO/c1-4(2)5(7)6-3/h4H,1-3H3,(H,6,7)","InChI=1S/C4H7NO.CH4/c1-3-4(5-2)6-3;/h3H,1-2H3;1H4/b5-4-;/t3-;/m1./s1",81.65491999999999,50.58547,
10882,[C:1]([N:2]([C:3](=[O:4])[C:5]([C:6]([H:13])([H:14])[H:15])([C:7]([H:16])([H:17])[H:18])[H:12])[H:11])([H:8])([H:9])[H:10],[C+:1]([N:2]([C:3]([O-:4])=[C:5]([C:6]([H:13])([H:14])[H:15])[C:7]([H:16])([H:17])[H:18])[H:11])([H:9])[H:10].[H:8][H:12],"InChI=1S/C5H11NO/c1-4(2)5(7)6-3/h4H,1-3H3,(H,6,7)","InChI=1S/C5H9NO.H2/c1-4(2)5(7)6-3;/h6H,3H2,1-2H3;1H",75.97168,63.18336,
10883,[C:1]([N:2]([C:3](=[O:4])[C:5]([C:6]([H:13])([H:14])[H:15])([C:7]([H:16])([H:17])[H:18])[H:12])[H:11])([H:8])([H:9])[H:10],[C:1](/[N:2]=[C:3](/[O:4][H:11])[C:5]([C:6]([H:13])([H:14])[H:15])([C:7]([H:16])([H:17])[H:18])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H11NO/c1-4(2)5(7)6-3/h4H,1-3H3,(H,6,7)","InChI=1S/C5H11NO/c1-4(2)5(7)6-3/h4H,1-3H3,(H,6,7)",39.40299,11.36048,ketoenol
10884,[C:1]([N:2]([C:3](=[O:4])[C:5]([C:6]([H:13])([H:14])[H:15])([C:7]([H:16])([H:17])[H:18])[H:12])[H:11])([H:8])([H:9])[H:10],[C:1]([N:2]([C:3]([O:4][H:12])=[C:5]([C:6]([H:13])([H:14])[H:15])[C:7]([H:16])([H:17])[H:18])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H11NO/c1-4(2)5(7)6-3/h4H,1-3H3,(H,6,7)","InChI=1S/C5H11NO/c1-4(2)5(7)6-3/h6-7H,1-3H3",63.13926,23.60538,ketoenol
10885,[C:1]([N:2]([C:3](=[O:4])[C:5]([C:6]([H:13])([H:14])[H:15])([C:7]([H:16])([H:17])[H:18])[H:12])[H:11])([H:8])([H:9])[H:10],[C:1]([N:2]([C:7]([H:16])([H:17])[H:18])[H:11])([H:8])([H:9])[H:10].[C:3](=[O:4])=[C:5]([C:6]([H:13])([H:14])[H:15])[H:12],"InChI=1S/C5H11NO/c1-4(2)5(7)6-3/h4H,1-3H3,(H,6,7)","InChI=1S/C3H4O.C2H7N/c1-2-3-4;1-3-2/h2H,1H3;3H,1-2H3",91.62935,45.74094,
10886,[C:1]([N:2]([C:3](=[O:4])[C:5]([C:6]([H:13])([H:14])[H:15])([C:7]([H:16])([H:17])[H:18])[H:12])[H:11])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:11].[N:2](=[C:3]=[O:4])[C:5]([C:6]([H:13])([H:14])[H:15])([C:7]([H:16])([H:17])[H:18])[H:12],"InChI=1S/C5H11NO/c1-4(2)5(7)6-3/h4H,1-3H3,(H,6,7)","InChI=1S/C4H7NO.CH4/c1-4(2)5-3-6;/h4H,1-2H3;1H4",73.98428,4.8613800000000005,
10887,[C:1]([N:2]([C:3](=[O:4])[C:5]([C:6]([H:13])([H:14])[H:15])([C:7]([H:16])([H:17])[H:18])[H:12])[H:11])([H:8])([H:9])[H:10],[C:1]([N:2](/[C:3]([O:4][C:6]([H:13])([H:14])[H:15])=[C:5](/[C:7]([H:16])([H:17])[H:18])[H:12])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H11NO/c1-4(2)5(7)6-3/h4H,1-3H3,(H,6,7)","InChI=1S/C5H11NO/c1-4-5(6-2)7-3/h4,6H,1-3H3/b5-4-",88.77387,39.39869,ketoenol
10888,[C:1]([N:2]([C:3](=[O:4])[C:5]([C:6]([H:13])([H:14])[H:15])([C:7]([H:16])([H:17])[H:18])[H:12])[H:11])([H:8])([H:9])[H:10],[C:1]([N:2]([H:11])[H:12])([H:8])([H:9])[H:10].[C:3](=[O:4])=[C:5]([C:6]([H:13])([H:14])[H:15])[C:7]([H:16])([H:17])[H:18],"InChI=1S/C5H11NO/c1-4(2)5(7)6-3/h4H,1-3H3,(H,6,7)","InChI=1S/C4H6O.CH5N/c1-4(2)3-5;1-2/h1-2H3;2H2,1H3",67.90325,38.658429999999996,
10889,[C:1]([N:2]([C:3](=[O:4])[C:5]([C:6]([H:13])([H:14])[H:15])([C:7]([H:16])([H:17])[H:18])[H:12])[H:11])([H:8])([H:9])[H:10],[C:1]([N:2]([H:8])[H:11])([H:9])[H:10].[C:3](=[O:4])[C:5]([C:6]([H:13])([H:14])[H:15])([C:7]([H:16])([H:17])[H:18])[H:12],"InChI=1S/C5H11NO/c1-4(2)5(7)6-3/h4H,1-3H3,(H,6,7)","InChI=1S/C4H7O.CH4N/c1-4(2)3-5;1-2/h4H,1-2H3;1-2H2",93.02198,92.51397,
10890,[C:1]([N:2]([C:3](=[O:4])[C:5]([C:6]([H:13])([H:14])[H:15])([C:7]([H:16])([H:17])[H:18])[H:12])[H:11])([H:8])([H:9])[H:10],[C:1]([N:2]([C@@:3]1([O:4][H:15])[C@@:5]([C:7]([H:16])([H:17])[H:18])([H:12])[C:6]1([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H11NO/c1-4(2)5(7)6-3/h4H,1-3H3,(H,6,7)","InChI=1S/C5H11NO/c1-4-3-5(4,7)6-2/h4,6-7H,3H2,1-2H3/t4-,5+/m1/s1",77.87365,41.23231,
10891,[C:1]([N:2]([C:3](=[O:4])[C:5]([C:6]([H:13])([H:14])[H:15])([C:7]([H:16])([H:17])[H:18])[H:12])[H:11])([H:8])([H:9])[H:10],[C+:1]([N:2]([C:3]([O-:4])=[C:5]([C:6]([H:13])([H:14])[H:15])[H:12])[H:11])([H:9])[H:10].[C:7]([H:8])([H:16])([H:17])[H:18],"InChI=1S/C5H11NO/c1-4(2)5(7)6-3/h4H,1-3H3,(H,6,7)","InChI=1S/C4H7NO.CH4/c1-3-4(6)5-2;/h3,5H,2H2,1H3;1H4",87.25646,49.88136,
10892,[C:1]1([H:8])([H:9])[O:2][C@@:3]2([H:10])[C:4]([H:11])([H:12])[C@:5]1([H:13])[C:6]([H:14])([H:15])[O:7]2,[C:1]1([H:8])([H:9])[O+:2]=[C-:3][C:4]([H:11])([H:12])[C@:5]1([C:6]([O:7][H:10])([H:14])[H:15])[H:13],"InChI=1S/C5H8O2/c1-4-2-6-5(1)7-3-4/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H8O2/c6-3-5-1-2-7-4-5/h5-6H,1,3-4H2/t5-/m0/s1",58.48503,42.76243,
10893,[C:1]1([H:8])([H:9])[O:2][C@@:3]2([H:10])[C:4]([H:11])([H:12])[C@:5]1([H:13])[C:6]([H:14])([H:15])[O:7]2,[C:1]([O:2][C:3](=[O:7])[H:10])([C:5](=[C:4]([H:11])[H:12])[C:6]([H:13])([H:14])[H:15])([H:8])[H:9],"InChI=1S/C5H8O2/c1-4-2-6-5(1)7-3-4/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H8O2/c1-5(2)3-7-4-6/h4H,1,3H2,2H3",73.88438000000001,-10.90883,
10894,[C:1]1([H:8])([H:9])[O:2][C@@:3]2([H:10])[C:4]([H:11])([H:12])[C@:5]1([H:13])[C:6]([H:14])([H:15])[O:7]2,[C:1]1([H:8])([H:9])[C:4]([H:11])([H:12])[C:5]1([C:6]([O:7][C:3](=[O:2])[H:10])([H:14])[H:15])[H:13],"InChI=1S/C5H8O2/c1-4-2-6-5(1)7-3-4/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H8O2/c6-4-7-3-5-1-2-5/h4-5H,1-3H2",64.79788,-3.9619699999999995,
10895,[C:1]1([H:8])([H:9])[O:2][C@@:3]2([H:10])[C:4]([H:11])([H:12])[C@:5]1([H:13])[C:6]([H:14])([H:15])[O:7]2,[C-:1]([O+:2]=[C:3]([O:7][C:6]([C:5](=[C:4]([H:11])[H:12])[H:13])([H:14])[H:15])[H:10])([H:8])[H:9],"InChI=1S/C5H8O2/c1-4-2-6-5(1)7-3-4/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H8O2/c1-3-4-7-5-6-2/h3,5H,1-2,4H2",69.05148,72.80483000000001,
10896,[C:1]1([H:8])([H:9])[O:2][C@@:3]2([H:10])[C:4]([H:11])([H:12])[C@:5]1([H:13])[C:6]([H:14])([H:15])[O:7]2,[C:1]([O:2][C@:3]1([H:10])[C:4]([H:11])([H:12])[C:5][C:6]([H:14])([H:15])[O:7]1)([H:8])([H:9])[H:13],"InChI=1S/C5H8O2/c1-4-2-6-5(1)7-3-4/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H8O2/c1-6-5-3-2-4-7-5/h5H,3-4H2,1H3/t5-/m0/s1",71.42891999999999,76.95048,
10897,[C:1]1([H:8])([H:9])[O:2][C@@:3]2([H:10])[C:4]([H:11])([H:12])[C@:5]1([H:13])[C:6]([H:14])([H:15])[O:7]2,[C:1]1([H:8])([H:9])[O+:2]=[C-:3][O:7][C:6]([H:14])([H:15])[C:5]1([C:4]([H:10])([H:11])[H:12])[H:13],"InChI=1S/C5H8O2/c1-4-2-6-5(1)7-3-4/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H8O2/c1-5-2-6-4-7-3-5/h5H,2-3H2,1H3",62.36581999999999,29.85124,
10898,[C:1]1([H:8])([H:9])[O:2][C@@:3]2([H:10])[C:4]([H:11])([H:12])[C@:5]1([H:13])[C:6]([H:14])([H:15])[O:7]2,[C:1]1([H:8])([H:9])[O:2][C:6]([H:14])([H:15])[C:5]1([C:4]([C:3](=[O:7])[H:10])([H:11])[H:12])[H:13],"InChI=1S/C5H8O2/c1-4-2-6-5(1)7-3-4/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H8O2/c6-2-1-5-3-7-4-5/h2,5H,1,3-4H2",66.05868000000001,17.14341,
10899,[C:1]1([H:8])([H:9])[O:2][C@@:3]2([H:10])[C:4]([H:11])([H:12])[C@:5]1([H:13])[C:6]([H:14])([H:15])[O:7]2,[C:1](=[O:2])([H:8])[H:9].[C:3]([C:4]([C:5](=[C:6]([H:14])[H:15])[H:13])([H:11])[H:12])(=[O:7])[H:10],"InChI=1S/C5H8O2/c1-4-2-6-5(1)7-3-4/h4-5H,1-3H2/t4-,5+","InChI=1S/C4H6O.CH2O/c1-2-3-4-5;1-2/h2,4H,1,3H2;1H2",55.298869999999994,21.81161,
10900,[C:1]1([H:8])([H:9])[O:2][C@@:3]2([H:10])[C:4]([H:11])([H:12])[C@:5]1([H:13])[C:6]([H:14])([H:15])[O:7]2,[C-:1](=[O+:2][C@:3]1([H:10])[C:4]([H:11])([H:12])[C:5]([H:9])([H:13])[C:6]([H:14])([H:15])[O:7]1)[H:8],"InChI=1S/C5H8O2/c1-4-2-6-5(1)7-3-4/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H8O2/c1-6-5-3-2-4-7-5/h1,5H,2-4H2/t5-/m0/s1",70.10018000000001,56.215180000000004,
10901,[C:1]1([H:8])([H:9])[O:2][C@@:3]2([H:10])[C:4]([H:11])([H:12])[C@:5]1([H:13])[C:6]([H:14])([H:15])[O:7]2,[C:1](=[O:2])([H:8])[H:9].[C@:3]12([H:10])[C:4]([H:11])([H:12])[C@@:5]1([H:13])[C:6]([H:14])([H:15])[O:7]2,"InChI=1S/C5H8O2/c1-4-2-6-5(1)7-3-4/h4-5H,1-3H2/t4-,5+","InChI=1S/C4H6O.CH2O/c1-3-2-5-4(1)3;1-2/h3-4H,1-2H2;1H2/t3-,4-;/m0./s1",75.50493,55.40245,
10902,[C:1]1([H:8])([H:9])[O:2][C@@:3]2([H:10])[C:4]([H:11])([H:12])[C@:5]1([H:13])[C:6]([H:14])([H:15])[O:7]2,[C@@:1]12([H:8])[O:2][C@:3]1([H:10])[C:4]([H:11])([H:12])[C@:5]2([C:6]([O:7][H:9])([H:14])[H:15])[H:13],"InChI=1S/C5H8O2/c1-4-2-6-5(1)7-3-4/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H8O2/c6-2-3-1-4-5(3)7-4/h3-6H,1-2H2/t3-,4+,5-/m0/s1",95.3707,32.60572,
10903,[C:1]1([H:8])([H:9])[O:2][C@@:3]2([H:10])[C:4]([H:11])([H:12])[C@:5]1([H:13])[C:6]([H:14])([H:15])[O:7]2,[C:1]1([H:8])([H:9])[O:2][C:3]([H:10])=[O+:7][C-:6]([H:14])[C@@:5]1([C:4]([H:11])([H:12])[H:15])[H:13],"InChI=1S/C5H8O2/c1-4-2-6-5(1)7-3-4/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H8O2/c1-5-2-6-4-7-3-5/h2,4-5H,3H2,1H3/t5-/m0/s1",90.33999,48.39346,
10904,[C:1]1([H:8])([H:9])[O:2][C@@:3]2([H:10])[C:4]([H:11])([H:12])[C@:5]1([H:13])[C:6]([H:14])([H:15])[O:7]2,[C:1]1([H:8])([H:9])[O:2][C:3]([C:4]([H:11])([H:12])[H:13])([H:10])[O:7][C:6]([H:14])([H:15])[C:5]1,"InChI=1S/C5H8O2/c1-4-2-6-5(1)7-3-4/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H8O2/c1-5-6-3-2-4-7-5/h5H,3-4H2,1H3",74.35746999999999,75.03262,
10905,[C:1]1([H:8])([H:9])[O:2][C@@:3]2([H:10])[C:4]([H:11])([H:12])[C@:5]1([H:13])[C:6]([H:14])([H:15])[O:7]2,[C:1]1([H:8])([H:9])[O:2][C:3]([H:10])=[C:4]([H:12])[C@:5]1([C:6]([O:7][H:11])([H:14])[H:15])[H:13],"InChI=1S/C5H8O2/c1-4-2-6-5(1)7-3-4/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H8O2/c6-3-5-1-2-7-4-5/h1-2,5-6H,3-4H2/t5-/m0/s1",55.178430000000006,1.3748200000000002,
10906,[C:1]1([H:8])([H:9])[O:2][C@@:3]2([H:10])[C:4]([H:11])([H:12])[C@:5]1([H:13])[C:6]([H:14])([H:15])[O:7]2,[C:1]1([H:8])([H:9])[O:2][C@:3]2([H:10])[C:4]([H:11])([H:12])[C@@:5]1([H:13])[C-:6]=[O+:7]2.[H:14][H:15],"InChI=1S/C5H8O2/c1-4-2-6-5(1)7-3-4/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H6O2.H2/c1-4-2-6-5(1)7-3-4;/h4-5H,1-2H2;1H/t4-,5+;/m1./s1",75.67051,68.56201999999999,
10907,[C:1]1([H:8])([H:9])[O:2][C@@:3]2([H:10])[C:4]([H:11])([H:12])[C@:5]1([H:13])[C:6]([H:14])([H:15])[O:7]2,[C:1]([O:2][C:3]([C:4]([H:10])([H:11])[H:12])=[O:7])([C:5](=[C:6]([H:14])[H:15])[H:13])([H:8])[H:9],"InChI=1S/C5H8O2/c1-4-2-6-5(1)7-3-4/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H8O2/c1-3-4-7-5(2)6/h3H,1,4H2,2H3",71.07666,-9.48753,
10908,[C:1]1([H:8])([H:9])[O:2][C@@:3]2([H:10])[C:4]([H:11])([H:12])[C@:5]1([H:13])[C:6]([H:14])([H:15])[O:7]2,[C:1]([O+:2]=[C-:3][H:10])([C:5]1([H:13])[C:4]([H:11])([H:12])[O:7][C:6]1([H:14])[H:15])([H:8])[H:9],"InChI=1S/C5H8O2/c1-4-2-6-5(1)7-3-4/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H8O2/c1-6-2-5-3-7-4-5/h1,5H,2-4H2",113.9495,83.32415,
10909,[C:1]([C@:2]12[C@@:3]3([H:11])[C@:4]4([H:12])[C@@:5]3([H:13])[C@@:6]1([H:14])[C@:7]24[H:15])([H:8])([H:9])[H:10],[C:1](=[C:2]1[C:3]([H:10])([H:11])[C@@:4]2([H:12])[C:5]([H:13])=[C:6]([H:14])[C@@:7]12[H:15])([H:8])[H:9],"InChI=1S/C7H8/c1-7-4-2-3(4)6(7)5(2)7/h2-6H,1H3/t2-,3+,4-,5+,6-,7+","InChI=1S/C7H8/c1-5-4-6-2-3-7(5)6/h2-3,6-7H,1,4H2/t6-,7+/m1/s1",67.92766,-41.35567,
10910,[C:1]([C@:2]12[C@@:3]3([H:11])[C@:4]4([H:12])[C@@:5]3([H:13])[C@@:6]1([H:14])[C@:7]24[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:6]1([H:14])[C:2]2=[C:7]([H:15])[C@@:4]3([H:12])[C@:3]2([H:11])[C@:5]31[H:13])([H:8])([H:9])[H:10],"InChI=1S/C7H8/c1-7-4-2-3(4)6(7)5(2)7/h2-6H,1H3/t2-,3+,4-,5+,6-,7+","InChI=1S/C7H8/c1-3-4-2-5-6(3)7(4)5/h2-3,5-7H,1H3/t3-,5+,6-,7+/m0/s1",75.91656,22.43809,
10911,[C:1]([C@:2]12[C@@:3]3([H:11])[C@:4]4([H:12])[C@@:5]3([H:13])[C@@:6]1([H:14])[C@:7]24[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]12[C:3]([H:11])([H:13])[C@@:4]3([H:12])[C:5][C@:6]1([H:14])[C@@:7]23[H:15])([H:8])([H:9])[H:10],"InChI=1S/C7H8/c1-7-4-2-3(4)6(7)5(2)7/h2-6H,1H3/t2-,3+,4-,5+,6-,7+","InChI=1S/C7H8/c1-7-3-4-2-5(7)6(4)7/h4-6H,3H2,1H3/t4-,5-,6+,7-/m1/s1",49.90878,8.1892,
10912,[C:1]([C@:2]12[C@@:3]3([H:11])[C@:4]4([H:12])[C@@:5]3([H:13])[C@@:6]1([H:14])[C@:7]24[H:15])([H:8])([H:9])[H:10],[C:1](=[C:2]([C@@:3]1([H:11])[C@:4]2([H:12])[C@@:5]1([H:13])[C:6]([H:14])=[C:7]2[H:15])[H:10])([H:8])[H:9],"InChI=1S/C7H8/c1-7-4-2-3(4)6(7)5(2)7/h2-6H,1H3/t2-,3+,4-,5+,6-,7+","InChI=1S/C7H8/c1-2-5-6-3-4-7(5)6/h2-7H,1H2/t5-,6+,7-",73.44998000000001,-29.06048,
10913,[C:1]([C@:2]12[C@@:3]3([H:11])[C@:4]4([H:12])[C@@:5]3([H:13])[C@@:6]1([H:14])[C@:7]24[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]12[C@:3]3([H:11])[C@@:4]([H:12])([C@:5]3([H:13])[C:6]1)[C:7]2([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C7H8/c1-7-4-2-3(4)6(7)5(2)7/h2-6H,1H3/t2-,3+,4-,5+,6-,7+","InChI=1S/C7H8/c1-7-2-4-5(3-7)6(4)7/h4-6H,2H2,1H3/t4-,5+,6-,7+/m1/s1",49.436370000000004,7.94465,
10914,[C:1]([C@:2]12[C@@:3]3([H:11])[C@:4]4([H:12])[C@@:5]3([H:13])[C@@:6]1([H:14])[C@:7]24[H:15])([H:8])([H:9])[H:10],[C:1]([c:2]1[c:6]([H:14])[c:5]([H:13])[c:3]([H:11])[c:4]([H:12])[c:7]1[H:15])([H:8])([H:9])[H:10],"InChI=1S/C7H8/c1-7-4-2-3(4)6(7)5(2)7/h2-6H,1H3/t2-,3+,4-,5+,6-,7+","InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3",38.19331,-118.25676999999999,
10915,[C:1]([C@:2]12[C@@:3]3([H:11])[C@:4]4([H:12])[C@@:5]3([H:13])[C@@:6]1([H:14])[C@:7]24[H:15])([H:8])([H:9])[H:10],[C:1]([C@:2]1([H:14])[C@:3]2([H:11])[C@@:4]3([H:12])[C@:5]2([H:13])[C:6][C@@:7]13[H:15])([H:8])([H:9])[H:10],"InChI=1S/C7H8/c1-7-4-2-3(4)6(7)5(2)7/h2-6H,1H3/t2-,3+,4-,5+,6-,7+","InChI=1S/C7H8/c1-3-4-2-5-6(3)7(4)5/h3-7H,1H3/t3-,4-,5+,6-,7+/m0/s1",49.53284,10.54795,
10916,[C:1]([C@:2]12[C@@:3]3([H:11])[C@:4]4([H:12])[C@@:5]3([H:13])[C@@:6]1([H:14])[C@:7]24[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]12[C:3][C@@:4]3([H:12])[C:5]([H:11])([H:13])[C@:6]1([H:14])[C@@:7]23[H:15])([H:8])([H:9])[H:10],"InChI=1S/C7H8/c1-7-4-2-3(4)6(7)5(2)7/h2-6H,1H3/t2-,3+,4-,5+,6-,7+","InChI=1S/C7H8/c1-7-3-4-2-5(7)6(4)7/h4-6H,2H2,1H3/t4-,5-,6+,7-/m1/s1",50.611779999999996,7.2478,
10917,[C:1]([C@:2]12[C@@:3]3([H:11])[C@:4]4([H:12])[C@@:5]3([H:13])[C@@:6]1([H:14])[C@:7]24[H:15])([H:8])([H:9])[H:10],[C:1]([C@:2]12[C@:3]3([H:11])[C:4]([H:12])([H:13])[C@@:7]1([H:15])[C@@:6]2([H:14])[C:5]3)([H:8])([H:9])[H:10],"InChI=1S/C7H8/c1-7-4-2-3(4)6(7)5(2)7/h2-6H,1H3/t2-,3+,4-,5+,6-,7+","InChI=1S/C7H8/c1-7-4-2-5(7)6(7)3-4/h4-6H,2H2,1H3/t4-,5+,6-,7+/m1/s1",50.056329999999996,8.150089999999999,
10918,[O:1]([C@@:2]12[C:3]([H:9])([H:10])[C@@:4]3([H:11])[C:5]([H:12])([H:13])[C@:6]1([H:14])[C@@:7]23[H:15])[H:8],[O:1]([C@:2]1([H:14])[C:3]([H:9])([H:10])[C@@:4]2([H:11])[C:5]([H:12])([H:13])[C:6][C@@:7]12[H:15])[H:8],"InChI=1S/C6H8O/c7-6-2-3-1-4(6)5(3)6/h3-5,7H,1-2H2/t3-,4-,5+,6+/m1/s1","InChI=1S/C6H8O/c7-6-3-4-1-2-5(4)6/h4-7H,1,3H2/t4-,5-,6-/m1/s1",59.55749,61.515530000000005,
10919,[O:1]([C@@:2]12[C:3]([H:9])([H:10])[C@@:4]3([H:11])[C:5]([H:12])([H:13])[C@:6]1([H:14])[C@@:7]23[H:15])[H:8],[O:1]([C@@:7]1([H:15])[C@@:4]2([H:11])[C:3]([H:9])([H:10])[C:2][C@:6]1([H:14])[C:5]2([H:12])[H:13])[H:8],"InChI=1S/C6H8O/c7-6-2-3-1-4(6)5(3)6/h3-5,7H,1-2H2/t3-,4-,5+,6+/m1/s1","InChI=1S/C6H8O/c7-6-4-1-2-5(6)3-4/h4-7H,1,3H2/t4-,5+,6-/m0/s1",75.95181,46.02795,
10920,[O:1]([C@@:2]12[C:3]([H:9])([H:10])[C@@:4]3([H:11])[C:5]([H:12])([H:13])[C@:6]1([H:14])[C@@:7]23[H:15])[H:8],[O:1]([C:3]([C@@:2]12[C@@:4]3([H:11])[C:5]([H:12])([H:13])[C@:6]1([H:14])[C@@:7]23[H:15])([H:9])[H:10])[H:8],"InChI=1S/C6H8O/c7-6-2-3-1-4(6)5(3)6/h3-5,7H,1-2H2/t3-,4-,5+,6+/m1/s1","InChI=1S/C6H8O/c7-2-6-3-1-4(6)5(3)6/h3-5,7H,1-2H2/t3-,4+,5-,6+",86.7602,21.28933,
10921,[O:1]([C@@:2]12[C:3]([H:9])([H:10])[C@@:4]3([H:11])[C:5]([H:12])([H:13])[C@:6]1([H:14])[C@@:7]23[H:15])[H:8],[O:1]([C@@:7]1([H:15])[C@:2]23[C:3]([H:9])([H:10])[C@@:4]2([H:11])[C:5]([H:12])([H:13])[C@@:6]31[H:14])[H:8],"InChI=1S/C6H8O/c7-6-2-3-1-4(6)5(3)6/h3-5,7H,1-2H2/t3-,4-,5+,6+/m1/s1","InChI=1S/C6H8O/c7-5-4-1-3-2-6(3,4)5/h3-5,7H,1-2H2/t3-,4-,5-,6-/m1/s1",86.75816999999999,25.78298,
10922,[O:1]([C@@:2]12[C:3]([H:9])([H:10])[C@@:4]3([H:11])[C:5]([H:12])([H:13])[C@:6]1([H:14])[C@@:7]23[H:15])[H:8],[O:1]([C:2][C:3]([C@@:4]1([H:11])[C:5]([H:12])([H:13])[C:6]([H:14])=[C:7]1[H:15])([H:9])[H:10])[H:8],"InChI=1S/C6H8O/c7-6-2-3-1-4(6)5(3)6/h3-5,7H,1-2H2/t3-,4-,5+,6+/m1/s1","InChI=1S/C6H8O/c7-5-4-6-2-1-3-6/h1-2,6-7H,3-4H2/t6-/m1/s1",37.54302,34.25544,
10923,[O:1]([C@@:2]12[C:3]([H:9])([H:10])[C@@:4]3([H:11])[C:5]([H:12])([H:13])[C@:6]1([H:14])[C@@:7]23[H:15])[H:8],[O:1]([C@@:2]1([H:15])[C:3]([H:9])([H:10])[C@@:4]2([H:11])[C:5]([H:12])([H:13])[C@:6]1([H:14])[C:7]2)[H:8],"InChI=1S/C6H8O/c7-6-2-3-1-4(6)5(3)6/h3-5,7H,1-2H2/t3-,4-,5+,6+/m1/s1","InChI=1S/C6H8O/c7-6-3-4-1-5(6)2-4/h4-7H,1,3H2/t4-,5+,6-/m0/s1",55.15962,42.40665,
10924,[O:1]([C@@:2]12[C:3]([H:9])([H:10])[C@@:4]3([H:11])[C:5]([H:12])([H:13])[C@:6]1([H:14])[C@@:7]23[H:15])[H:8],[O:1]([C@:2]1([C:6](=[C:5]([H:12])[H:13])[H:14])[C:3]([H:9])([H:10])[C:4]([H:11])=[C:7]1[H:15])[H:8],"InChI=1S/C6H8O/c7-6-2-3-1-4(6)5(3)6/h3-5,7H,1-2H2/t3-,4-,5+,6+/m1/s1","InChI=1S/C6H8O/c1-2-6(7)4-3-5-6/h2-4,7H,1,5H2/t6-/m0/s1",45.99042,-13.66135,
10925,[O:1]([C@@:2]12[C:3]([H:9])([H:10])[C@@:4]3([H:11])[C:5]([H:12])([H:13])[C@:6]1([H:14])[C@@:7]23[H:15])[H:8],[O:1]([C:2]1=[C:6]([H:14])[C@@:7]2([H:15])[C@@:4]([H:11])([C:3]1([H:9])[H:10])[C:5]2([H:12])[H:13])[H:8],"InChI=1S/C6H8O/c7-6-2-3-1-4(6)5(3)6/h3-5,7H,1-2H2/t3-,4-,5+,6+/m1/s1","InChI=1S/C6H8O/c7-6-2-4-1-5(4)3-6/h2,4-5,7H,1,3H2/t4-,5+/m0/s1",76.99252,-37.6633,
10926,[O:1]([C@@:2]12[C:3]([H:9])([H:10])[C@@:4]3([H:11])[C:5]([H:12])([H:13])[C@:6]1([H:14])[C@@:7]23[H:15])[H:8],[O:1]([C@:2]12[C:3]([H:9])=[C:4]([H:11])[C@@:7]1([H:15])[C@:6]2([C:5]([H:10])([H:12])[H:13])[H:14])[H:8],"InChI=1S/C6H8O/c7-6-2-3-1-4(6)5(3)6/h3-5,7H,1-2H2/t3-,4-,5+,6+/m1/s1","InChI=1S/C6H8O/c1-4-5-2-3-6(4,5)7/h2-5,7H,1H3/t4-,5+,6+/m1/s1",102.06246,4.07558,
10927,[O:1]([C@@:2]12[C:3]([H:9])([H:10])[C@@:4]3([H:11])[C:5]([H:12])([H:13])[C@:6]1([H:14])[C@@:7]23[H:15])[H:8],[O:1]([C:2]1=[C:7]([H:15])[C@@:4]([C:5](=[C:6]([H:12])[H:14])[H:13])([H:11])[C:3]1([H:9])[H:10])[H:8],"InChI=1S/C6H8O/c7-6-2-3-1-4(6)5(3)6/h3-5,7H,1-2H2/t3-,4-,5+,6+/m1/s1","InChI=1S/C6H8O/c1-2-5-3-6(7)4-5/h2-3,5,7H,1,4H2/t5-/m0/s1",74.50196,-21.09783,
10928,[O:1]([C@@:2]12[C:3]([H:9])([H:10])[C@@:4]3([H:11])[C:5]([H:12])([H:13])[C@:6]1([H:14])[C@@:7]23[H:15])[H:8],[O:1]([C:2]1=[C:7]([H:15])[C@:6]1([C:5]([C:4](=[C:3]([H:9])[H:10])[H:11])([H:12])[H:13])[H:14])[H:8],"InChI=1S/C6H8O/c7-6-2-3-1-4(6)5(3)6/h3-5,7H,1-2H2/t3-,4-,5+,6+/m1/s1","InChI=1S/C6H8O/c1-2-3-5-4-6(5)7/h2,4-5,7H,1,3H2/t5-/m1/s1",46.754490000000004,4.0257,
10929,[O:1]([C@@:2]12[C:3]([H:9])([H:10])[C@@:4]3([H:11])[C:5]([H:12])([H:13])[C@:6]1([H:14])[C@@:7]23[H:15])[H:8],[H:14][H:15].[O:1]([C:2]1=[C-:6][C:5]([H:12])([H:13])[C@:4]2([H:11])[C:3]([H:9])([H:10])[C+:7]12)[H:8],"InChI=1S/C6H8O/c7-6-2-3-1-4(6)5(3)6/h3-5,7H,1-2H2/t3-,4-,5+,6+/m1/s1","InChI=1S/C6H6O.H2/c7-6-2-1-4-3-5(4)6;/h4,7H,1,3H2;1H/t4-;/m1./s1",112.29775,73.01724,
10930,[O:1]([C@@:2]12[C:3]([H:9])([H:10])[C@@:4]3([H:11])[C:5]([H:12])([H:13])[C@:6]1([H:14])[C@@:7]23[H:15])[H:8],[C:2]12=[C:7]3[C@@:4]([H:11])([C:3]1([H:9])[H:10])[C:5]([H:12])([H:13])[C@@:6]23[H:14].[O:1]([H:8])[H:15],"InChI=1S/C6H8O/c7-6-2-3-1-4(6)5(3)6/h3-5,7H,1-2H2/t3-,4-,5+,6+/m1/s1","InChI=1S/C6H6.H2O/c1-3-2-5-4(1)6(3)5;/h3-4H,1-2H2;1H2/t3-,4+;/m1./s1",89.85965999999999,82.65789000000001,
10931,[O:1]([C@@:2]12[C:3]([H:9])([H:10])[C@@:4]3([H:11])[C:5]([H:12])([H:13])[C@:6]1([H:14])[C@@:7]23[H:15])[H:8],[O:1]([C@:2]12[C:3]([H:9])([H:10])[C@@:4]1([H:11])[C:5]([H:12])([H:13])[C:6]([H:14])=[C:7]2[H:15])[H:8],"InChI=1S/C6H8O/c7-6-2-3-1-4(6)5(3)6/h3-5,7H,1-2H2/t3-,4-,5+,6+/m1/s1","InChI=1S/C6H8O/c7-6-3-1-2-5(6)4-6/h1,3,5,7H,2,4H2/t5-,6-/m1/s1",42.29326,-31.44142,
10932,[O:1]([C@@:2]12[C:3]([H:9])([H:10])[C@@:4]3([H:11])[C:5]([H:12])([H:13])[C@:6]1([H:14])[C@@:7]23[H:15])[H:8],[O:1]([C@@:2]12[C:3]([H:9])([H:10])[C:4][C:5]([H:12])([H:13])[C@:6]1([H:14])[C:7]2([H:11])[H:15])[H:8],"InChI=1S/C6H8O/c7-6-2-3-1-4(6)5(3)6/h3-5,7H,1-2H2/t3-,4-,5+,6+/m1/s1","InChI=1S/C6H8O/c7-6-3-1-2-5(6)4-6/h5,7H,2-4H2/t5-,6-/m1/s1",62.17944,41.20218,
10933,[O:1]([C@@:2]12[C:3]([H:9])([H:10])[C@@:4]3([H:11])[C:5]([H:12])([H:13])[C@:6]1([H:14])[C@@:7]23[H:15])[H:8],[O:1]([C:2]1=[C:6]2[C:5]([H:12])([H:13])[C:4]([H:11])([C:3]1([H:9])[H:10])[C:7]2([H:14])[H:15])[H:8],"InChI=1S/C6H8O/c7-6-2-3-1-4(6)5(3)6/h3-5,7H,1-2H2/t3-,4-,5+,6+/m1/s1","InChI=1S/C6H8O/c7-6-3-4-1-5(6)2-4/h4,7H,1-3H2",52.882630000000006,29.388920000000002,
10934,[O:1]([C@@:2]12[C:3]([H:9])([H:10])[C@@:4]3([H:11])[C:5]([H:12])([H:13])[C@:6]1([H:14])[C@@:7]23[H:15])[H:8],[C:2]12=[C:6]3[C:5]([H:12])([H:13])[C@:4]([H:11])([C:3]1([H:9])[H:10])[C@:7]23[H:15].[O:1]([H:8])[H:14],"InChI=1S/C6H8O/c7-6-2-3-1-4(6)5(3)6/h3-5,7H,1-2H2/t3-,4-,5+,6+/m1/s1","InChI=1S/C6H6.H2O/c1-3-2-5-4(1)6(3)5;/h3,6H,1-2H2;1H2/t3-,6+;",91.86652,82.94575,
10935,[O:1]([C@@:2]12[C:3]([H:9])([H:10])[C@@:4]3([H:11])[C:5]([H:12])([H:13])[C@:6]1([H:14])[C@@:7]23[H:15])[H:8],[O:1](/[C:2](=[C:3](/[C@@:4]1([H:11])[C:5]([H:12])([H:13])[C:6]([H:14])=[C:7]1[H:15])[H:9])[H:10])[H:8],"InChI=1S/C6H8O/c7-6-2-3-1-4(6)5(3)6/h3-5,7H,1-2H2/t3-,4-,5+,6+/m1/s1","InChI=1S/C6H8O/c7-5-4-6-2-1-3-6/h1-2,4-7H,3H2/b5-4+/t6-/m1/s1",72.97584,-17.72782,
10936,[O:1]([C@@:2]12[C:3]([H:9])([H:10])[C@@:4]3([H:11])[C:5]([H:12])([H:13])[C@:6]1([H:14])[C@@:7]23[H:15])[H:8],[O:1]([C:2][C@@:7]1([H:15])[C@@:4]2([H:11])[C:3]([H:9])([H:10])[C@:6]1([H:14])[C:5]2([H:12])[H:13])[H:8],"InChI=1S/C6H8O/c7-6-2-3-1-4(6)5(3)6/h3-5,7H,1-2H2/t3-,4-,5+,6+/m1/s1","InChI=1S/C6H8O/c7-3-6-4-1-5(6)2-4/h4-7H,1-2H2/t4-,5+,6-",84.78631999999999,49.19856,
10937,[O:1]([C@@:2]12[C:3]([H:9])([H:10])[C@@:4]3([H:11])[C:5]([H:12])([H:13])[C@:6]1([H:14])[C@@:7]23[H:15])[H:8],[O:1]([C:2]12[C:3]([H:9])([H:10])[C:4]([H:11])([C:5]([H:12])([H:13])[C:6]1)[C:7]2([H:14])[H:15])[H:8],"InChI=1S/C6H8O/c7-6-2-3-1-4(6)5(3)6/h3-5,7H,1-2H2/t3-,4-,5+,6+/m1/s1","InChI=1S/C6H8O/c7-6-2-1-5(3-6)4-6/h5,7H,1,3-4H2",52.886419999999994,39.630759999999995,
10938,[O:1]([C@@:2]12[C:3]([H:9])([H:10])[C@@:4]3([H:11])[C:5]([H:12])([H:13])[C@:6]1([H:14])[C@@:7]23[H:15])[H:8],[O:1]=[C:2]1[C:3]([H:9])([H:10])[C@@:4]2([H:11])[C:5]([H:12])([H:13])[C@:6]1([H:14])[C:7]2([H:8])[H:15],"InChI=1S/C6H8O/c7-6-2-3-1-4(6)5(3)6/h3-5,7H,1-2H2/t3-,4-,5+,6+/m1/s1","InChI=1S/C6H8O/c7-6-3-4-1-5(6)2-4/h4-5H,1-3H2/t4-,5+",52.82549,-39.820609999999995,
10939,[O:1]([C@@:2]12[C:3]([H:9])([H:10])[C@@:4]3([H:11])[C:5]([H:12])([H:13])[C@:6]1([H:14])[C@@:7]23[H:15])[H:8],[O:1]=[C:2]1[C@:6]2([H:14])[C:5]([H:12])([H:13])[C@@:4]([C:3]([H:8])([H:9])[H:10])([H:11])[C@:7]12[H:15],"InChI=1S/C6H8O/c7-6-2-3-1-4(6)5(3)6/h3-5,7H,1-2H2/t3-,4-,5+,6+/m1/s1","InChI=1S/C6H8O/c1-3-2-4-5(3)6(4)7/h3-5H,2H2,1H3/t3-,4+,5-/m0/s1",67.7655,-13.765720000000002,
10940,[O:1]([C@@:2]12[C:3]([H:9])([H:10])[C@@:4]3([H:11])[C:5]([H:12])([H:13])[C@:6]1([H:14])[C@@:7]23[H:15])[H:8],[O:1]([C:2][C@:6]1([H:14])[C:5]([H:12])([H:13])[C@:4]2([H:11])[C:3]([H:9])([H:10])[C@@:7]21[H:15])[H:8],"InChI=1S/C6H8O/c7-6-2-3-1-4(6)5(3)6/h3-5,7H,1-2H2/t3-,4-,5+,6+/m1/s1","InChI=1S/C6H8O/c7-3-5-1-4-2-6(4)5/h4-7H,1-2H2/t4-,5+,6+/m1/s1",61.36898000000001,37.35203,
10941,[O:1]([C@@:2]12[C:3]([H:9])([H:10])[C@@:4]3([H:11])[C:5]([H:12])([H:13])[C@:6]1([H:14])[C@@:7]23[H:15])[H:8],[O:1]=[C:2]([C:3]([C@@:4]1([H:11])[C:5]([H:12])([H:13])[C:6]([H:14])=[C:7]1[H:15])([H:9])[H:10])[H:8],"InChI=1S/C6H8O/c7-6-2-3-1-4(6)5(3)6/h3-5,7H,1-2H2/t3-,4-,5+,6+/m1/s1","InChI=1S/C6H8O/c7-5-4-6-2-1-3-6/h1-2,5-6H,3-4H2/t6-/m1/s1",65.20855999999999,-21.511770000000002,
10942,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[O:3][C@:4]3([H:11])[C:5]([H:12])([H:13])[C@@:6]2([H:14])[C@:7]13[H:15],[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[O+:3]=[C-:4][C:5]([H:12])([H:13])[C@@:6]2([H:14])[C:7]1([H:11])[H:15],"InChI=1S/C6H8O/c1-3-4-2-6(3)7-5(1)4/h3-6H,1-2H2/t3-,4-,5+,6+/m0/s1","InChI=1S/C6H8O/c1-2-6-5(1)3-4-7-6/h5-6H,1-3H2/t5-,6-/m1/s1",52.97446,15.666139999999999,
10943,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[O:3][C@:4]3([H:11])[C:5]([H:12])([H:13])[C@@:6]2([H:14])[C@:7]13[H:15],[C:1](=[C:2]([O:3][C@:4]1([H:11])[C:5]([H:12])([H:13])[C:6]([H:14])=[C:7]1[H:15])[H:10])([H:8])[H:9],"InChI=1S/C6H8O/c1-3-4-2-6(3)7-5(1)4/h3-6H,1-2H2/t3-,4-,5+,6+/m0/s1","InChI=1S/C6H8O/c1-2-7-6-4-3-5-6/h2-4,6H,1,5H2/t6-/m0/s1",65.82576999999999,-2.88347,
10944,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[O:3][C@:4]3([H:11])[C:5]([H:12])([H:13])[C@@:6]2([H:14])[C@:7]13[H:15],[C:1]1([H:8])([H:9])[C:2][C@@:6]2([H:14])[C:5]([H:12])([H:13])[C@:4]([O:3][H:10])([H:11])[C@@:7]12[H:15],"InChI=1S/C6H8O/c1-3-4-2-6(3)7-5(1)4/h3-6H,1-2H2/t3-,4-,5+,6+/m0/s1","InChI=1S/C6H8O/c7-6-3-4-1-2-5(4)6/h4-7H,2-3H2/t4-,5-,6+/m0/s1",67.03241,63.67811,
10945,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[O:3][C@:4]3([H:11])[C:5]([H:12])([H:13])[C@@:6]2([H:14])[C@:7]13[H:15],[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[O:3][C:4]([H:11])([H:13])[C@:7]1([H:15])[C@@:6]2([C:5][H:12])[H:14],"InChI=1S/C6H8O/c1-3-4-2-6(3)7-5(1)4/h3-6H,1-2H2/t3-,4-,5+,6+/m0/s1","InChI=1S/C6H8O/c1-4-5-2-6(4)7-3-5/h1,4-6H,2-3H2/t4-,5+,6+/m0/s1",69.95445,73.70867,
10946,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[O:3][C@:4]3([H:11])[C:5]([H:12])([H:13])[C@@:6]2([H:14])[C@:7]13[H:15],[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[O:3][C@:4]([H:11])([C:5]([H:12])([H:13])[C:6]2([H:14])[H:15])[C:7]1,"InChI=1S/C6H8O/c1-3-4-2-6(3)7-5(1)4/h3-6H,1-2H2/t3-,4-,5+,6+/m0/s1","InChI=1S/C6H8O/c1-2-6-4-3-5(1)7-6/h5-6H,1-3H2/t5-,6+/m0/s1",61.17436,32.77143,
10947,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[O:3][C@:4]3([H:11])[C:5]([H:12])([H:13])[C@@:6]2([H:14])[C@:7]13[H:15],[C:1]([C@:7]1([H:15])[C@:4]2([H:11])[O+:3]=[C-:2][C@@:6]1([H:14])[C:5]2([H:12])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-3-4-2-6(3)7-5(1)4/h3-6H,1-2H2/t3-,4-,5+,6+/m0/s1","InChI=1S/C6H8O/c1-4-5-2-6(4)7-3-5/h4-6H,2H2,1H3/t4-,5+,6+/m0/s1",56.3655,28.810229999999997,
10948,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[O:3][C@:4]3([H:11])[C:5]([H:12])([H:13])[C@@:6]2([H:14])[C@:7]13[H:15],[C:1]([C@@:2]1([H:10])[O:3][C@:4]2([H:11])[C:5]([H:12])([H:13])[C@:6]12[H:14])([C:7][H:15])([H:8])[H:9],"InChI=1S/C6H8O/c1-3-4-2-6(3)7-5(1)4/h3-6H,1-2H2/t3-,4-,5+,6+/m0/s1","InChI=1S/C6H8O/c1-2-5-4-3-6(4)7-5/h1,4-6H,2-3H2/t4-,5-,6-/m1/s1",90.9381,89.29449,
10949,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[O:3][C@:4]3([H:11])[C:5]([H:12])([H:13])[C@@:6]2([H:14])[C@:7]13[H:15],[C:1](=[C:7]([C@:4]1([H:11])[O:3][C:2]([H:10])=[C:6]([H:14])[C:5]1([H:12])[H:13])[H:15])([H:8])[H:9],"InChI=1S/C6H8O/c1-3-4-2-6(3)7-5(1)4/h3-6H,1-2H2/t3-,4-,5+,6+/m0/s1","InChI=1S/C6H8O/c1-2-6-4-3-5-7-6/h2-3,5-6H,1,4H2/t6-/m0/s1",68.9878,-27.208540000000003,
10950,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[O:3][C@:4]3([H:11])[C:5]([H:12])([H:13])[C@@:6]2([H:14])[C@:7]13[H:15],[C:1]1([H:8])=[C:7]([H:15])[C@:4]2([H:11])[O:3][C@@:2]1([H:10])[C:6][C:5]2([H:12])[H:13].[H:9][H:14],"InChI=1S/C6H8O/c1-3-4-2-6(3)7-5(1)4/h3-6H,1-2H2/t3-,4-,5+,6+/m0/s1","InChI=1S/C6H6O.H2/c1-2-6-4-3-5(1)7-6;/h1-2,5-6H,3H2;1H/t5-,6+;/m0./s1",103.79378,72.33525,
10951,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[O:3][C@:4]3([H:11])[C:5]([H:12])([H:13])[C@@:6]2([H:14])[C@:7]13[H:15],[C:1]1([H:8])([H:9])[C-:2]([H:10])[O+:3]=[C:4]([H:11])[C@@:7]1([C:6](=[C:5]([H:12])[H:13])[H:14])[H:15],"InChI=1S/C6H8O/c1-3-4-2-6(3)7-5(1)4/h3-6H,1-2H2/t3-,4-,5+,6+/m0/s1","InChI=1S/C6H8O/c1-2-6-3-4-7-5-6/h2,4-6H,1,3H2/t6-/m1/s1",42.81974,21.646829999999998,
10952,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[O:3][C@:4]3([H:11])[C:5]([H:12])([H:13])[C@@:6]2([H:14])[C@:7]13[H:15],[C:1]1([H:8])([H:9])[C:2]([H:10])([H:14])[O:3][C@:4]2([H:11])[C:5]([H:12])([H:13])[C:6][C@:7]12[H:15],"InChI=1S/C6H8O/c1-3-4-2-6(3)7-5(1)4/h3-6H,1-2H2/t3-,4-,5+,6+/m0/s1","InChI=1S/C6H8O/c1-2-6-5(1)3-4-7-6/h5-6H,2-4H2/t5-,6-/m1/s1",54.16432,56.428380000000004,
10953,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[O:3][C@:4]3([H:11])[C:5]([H:12])([H:13])[C@@:6]2([H:14])[C@:7]13[H:15],[C:1]1([H:8])([H:9])[C-:2]([H:10])[O+:3]=[C:4]([H:11])[C:5]([H:12])([H:13])[C:6]([H:14])=[C:7]1[H:15],"InChI=1S/C6H8O/c1-3-4-2-6(3)7-5(1)4/h3-6H,1-2H2/t3-,4-,5+,6+/m0/s1","InChI=1S/C6H8O/c1-2-4-6-7-5-3-1/h1-2,5-6H,3-4H2",62.004630000000006,18.28499,
10954,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[O:3][C@:4]3([H:11])[C:5]([H:12])([H:13])[C@@:6]2([H:14])[C@:7]13[H:15],[C:1]([C:2](=[O:3])[H:10])([C:7]1([H:15])[C-:4]([H:11])[C:5]([H:12])([H:13])[C+:6]1[H:14])([H:8])[H:9],"InChI=1S/C6H8O/c1-3-4-2-6(3)7-5(1)4/h3-6H,1-2H2/t3-,4-,5+,6+/m0/s1","InChI=1S/C6H8O/c7-5-4-6-2-1-3-6/h2-3,5-6H,1,4H2",49.597809999999996,58.27936,
10955,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[O:3][C@:4]3([H:11])[C:5]([H:12])([H:13])[C@@:6]2([H:14])[C@:7]13[H:15],[C:1]([C@:7]1([H:15])[C@:4]2([H:11])[O:3][C:2]([H:10])=[C:6]1[C:5]2([H:12])[H:13])([H:8])([H:9])[H:14],"InChI=1S/C6H8O/c1-3-4-2-6(3)7-5(1)4/h3-6H,1-2H2/t3-,4-,5+,6+/m0/s1","InChI=1S/C6H8O/c1-4-5-2-6(4)7-3-5/h3-4,6H,2H2,1H3/t4-,6+/m0/s1",110.71637,54.87613,
10956,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[O:3][C@:4]3([H:11])[C:5]([H:12])([H:13])[C@@:6]2([H:14])[C@:7]13[H:15],[C:1]1([H:8])([H:9])[C@:2]2([H:10])[O:3][C@@:4]([C:5][H:13])([H:11])[C@@:7]1([H:15])[C:6]2([H:12])[H:14],"InChI=1S/C6H8O/c1-3-4-2-6(3)7-5(1)4/h3-6H,1-2H2/t3-,4-,5+,6+/m0/s1","InChI=1S/C6H8O/c1-4-5-2-6(3-5)7-4/h1,4-6H,2-3H2/t4-,5-,6+/m1/s1",77.4143,74.31721999999999,
10957,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[O:3][C@:4]3([H:11])[C:5]([H:12])([H:13])[C@@:6]2([H:14])[C@:7]13[H:15],[C:1]1([H:8])([H:9])[C@:2]([O+:3]=[C-:4][H:11])([H:10])[C@@:6]2([H:14])[C:5]([H:12])([H:13])[C@@:7]12[H:15],"InChI=1S/C6H8O/c1-3-4-2-6(3)7-5(1)4/h3-6H,1-2H2/t3-,4-,5+,6+/m0/s1","InChI=1S/C6H8O/c1-7-6-3-4-2-5(4)6/h1,4-6H,2-3H2/t4-,5-,6+/m0/s1",113.15025,51.23171,
10958,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[O:3][C@:4]3([H:11])[C:5]([H:12])([H:13])[C@@:6]2([H:14])[C@:7]13[H:15],[C:1](=[C:2]([C@@:6]1([H:14])[C:5]([H:12])([H:13])[C@:7]1([C:4](=[O:3])[H:11])[H:15])[H:10])([H:8])[H:9],"InChI=1S/C6H8O/c1-3-4-2-6(3)7-5(1)4/h3-6H,1-2H2/t3-,4-,5+,6+/m0/s1","InChI=1S/C6H8O/c1-2-5-3-6(5)4-7/h2,4-6H,1,3H2/t5-,6-/m0/s1",66.04365,-25.94966,
10959,[O:1]([C:2]([C@@:3]([C:4]#[C:5][H:12])([C:6]#[N:7])[H:11])([H:9])[H:10])[H:8],[O:1]([C:2](/[C:3](=[C:4](/[C:5][H:12])[H:11])[C:6]#[N:7])([H:9])[H:10])[H:8],"InChI=1S/C5H5NO/c1-2-5(3-6)4-7/h1,5,7H,4H2/t5-/m0/s1","InChI=1S/C5H5NO/c1-2-5(3-6)4-7/h1-2,7H,4H2/b5-2+",57.014340000000004,52.24814,
10960,[O:1]([C:2]([C@@:3]([C:4]#[C:5][H:12])([C:6]#[N:7])[H:11])([H:9])[H:10])[H:8],[O:1]([C:2]([C@@:3]1([H:11])[C:4](=[C:5])/[C:6]1=[N:7]\[H:12])([H:9])[H:10])[H:8],"InChI=1S/C5H5NO/c1-2-5(3-6)4-7/h1,5,7H,4H2/t5-/m0/s1","InChI=1S/C5H5NO/c1-3-4(2-7)5(3)6/h4,6-7H,2H2/b6-5+/t4-/m0/s1",94.4645,69.67220999999999,
10961,[O:1]([C:2]([C@@:3]([C:4]#[C:5][H:12])([C:6]#[N:7])[H:11])([H:9])[H:10])[H:8],[C:3]([C:4]#[C:5][H:12])(=[C:6]=[N:7][H:8])[H:11].[O:1]=[C:2]([H:9])[H:10],"InChI=1S/C5H5NO/c1-2-5(3-6)4-7/h1,5,7H,4H2/t5-/m0/s1","InChI=1S/C4H3N.CH2O/c1-2-3-4-5;1-2/h1,3,5H;1H2",28.065309999999997,29.30125,Retroene
10962,[O:1]([C:2]([C@@:3]([C:4]#[C:5][H:12])([C:6]#[N:7])[H:11])([H:9])[H:10])[H:8],[O:1](/[C:5](=[C:4]1\[C:2]([H:9])([H:10])[C@@:3]1([C:6]#[N:7])[H:11])[H:12])[H:8],"InChI=1S/C5H5NO/c1-2-5(3-6)4-7/h1,5,7H,4H2/t5-/m0/s1","InChI=1S/C5H5NO/c6-2-4-1-5(4)3-7/h3-4,7H,1H2/b5-3+/t4-/m1/s1",60.77015,-8.05959,
10963,[O:1]([C:2]([C@@:3]([C:4]#[C:5][H:12])([C:6]#[N:7])[H:11])([H:9])[H:10])[H:8],[O:1]([C@:2]1([H:9])[C@@:3]2([H:11])[C+:4]=[C:5]([H:12])[N-:7][C@@:6]12[H:10])[H:8],"InChI=1S/C5H5NO/c1-2-5(3-6)4-7/h1,5,7H,4H2/t5-/m0/s1","InChI=1S/C5H5NO/c7-5-3-1-2-6-4(3)5/h2-5,7H/t3-,4+,5+/m0/s1",109.09333000000001,51.63884,
10964,[O:1]([C:2]([C@@:3]([C:4]#[C:5][H:12])([C:6]#[N:7])[H:11])([H:9])[H:10])[H:8],[O:1]([C:2]([C:3](=[C:4]=[C:5]([H:11])[H:12])[C:6]#[N:7])([H:9])[H:10])[H:8],"InChI=1S/C5H5NO/c1-2-5(3-6)4-7/h1,5,7H,4H2/t5-/m0/s1","InChI=1S/C5H5NO/c1-2-5(3-6)4-7/h7H,1,4H2",57.04043000000001,-10.76708,
10965,[O:1]([C:2]([C@@:3]([C:4]#[C:5][H:12])([C:6]#[N:7])[H:11])([H:9])[H:10])[H:8],[O:1]([C:2]([C:3](=[C:6]=[N:7][C:4]#[C:5][H:12])[H:11])([H:9])[H:10])[H:8],"InChI=1S/C5H5NO/c1-2-5(3-6)4-7/h1,5,7H,4H2/t5-/m0/s1","InChI=1S/C5H5NO/c1-2-6-4-3-5-7/h1,3,7H,5H2",88.75754,22.92738,
10966,[O:1]([C:2]([C@@:3]([C:4]#[C:5][H:12])([C:6]#[N:7])[H:11])([H:9])[H:10])[H:8],[C:3](=[C:4]=[C:5]([H:8])[H:12])([C:6]#[N:7])[H:11].[O:1]=[C:2]([H:9])[H:10],"InChI=1S/C5H5NO/c1-2-5(3-6)4-7/h1,5,7H,4H2/t5-/m0/s1","InChI=1S/C4H3N.CH2O/c1-2-3-4-5;1-2/h3H,1H2;1H2",22.4199,7.203860000000001,Retroene
10967,[O:1]([C:2]([C@@:3]([C:4]#[C:5][H:12])([C:6]#[N:7])[H:11])([H:9])[H:10])[H:8],[C:2](=[C:3]([C:6]#[N:7])[H:11])([H:9])[H:10].[O:1]([C:4]#[C:5][H:12])[H:8],"InChI=1S/C5H5NO/c1-2-5(3-6)4-7/h1,5,7H,4H2/t5-/m0/s1","InChI=1S/C3H3N.C2H2O/c1-2-3-4;1-2-3/h2H,1H2;1,3H",65.32745,21.51975,
10968,[O:1]([C:2]([C@@:3]([C:4]#[C:5][H:12])([C:6]#[N:7])[H:11])([H:9])[H:10])[H:8],[O:1]([C:2]([C@@:3]([C:5](=[C:4])[H:12])([C:6]#[N:7])[H:11])([H:9])[H:10])[H:8],"InChI=1S/C5H5NO/c1-2-5(3-6)4-7/h1,5,7H,4H2/t5-/m0/s1","InChI=1S/C5H5NO/c1-2-5(3-6)4-7/h2,5,7H,4H2/t5-/m0/s1",56.7837,52.83109,Singlet_Carbene_Intra_Disproportionation
10969,[O:1]([C:2]([C@@:3]([C:4]#[C:5][H:12])([C:6]#[N:7])[H:11])([H:9])[H:10])[H:8],[O:1]([C:2]([C@@:3]([C:4]#[C:5][H:12])([N+:7]#[C-:6])[H:11])([H:9])[H:10])[H:8],"InChI=1S/C5H5NO/c1-2-5(3-6)4-7/h1,5,7H,4H2/t5-/m0/s1","InChI=1S/C5H5NO/c1-3-5(4-7)6-2/h1,5,7H,4H2/t5-/m1/s1",56.81589,25.7513,
10970,[O:1]([C:2]([C@@:3]([C:4]#[C:5][H:12])([C:6]#[N:7])[H:11])([H:9])[H:10])[H:8],[O:1]([C:2]([N:7]=[C:6]=[C:3]([C:4]#[C:5][H:12])[H:11])([H:9])[H:10])[H:8],"InChI=1S/C5H5NO/c1-2-5(3-6)4-7/h1,5,7H,4H2/t5-/m0/s1","InChI=1S/C5H5NO/c1-2-3-4-6-5-7/h1,3,7H,5H2",51.552479999999996,15.65024,
10971,[O:1]([C:2]([C@@:3]([C:4]#[C:5][H:12])([C:6]#[N:7])[H:11])([H:9])[H:10])[H:8],[C:2](=[C:3]([C:4]#[C:5][H:12])[C:6]#[N:7])([H:9])[H:10].[O:1]([H:8])[H:11],"InChI=1S/C5H5NO/c1-2-5(3-6)4-7/h1,5,7H,4H2/t5-/m0/s1","InChI=1S/C5H3N.H2O/c1-3-5(2)4-6;/h1H,2H2;1H2",47.90612,6.28688,"1,3_Insertion_ROR"
10972,[O:1]([C:2]([C@@:3]([C:4]#[C:5][H:12])([C:6]#[N:7])[H:11])([H:9])[H:10])[H:8],[C:3]1([C:6]#[N:7])([H:11])[C:4]([H:8])=[C:5]1[H:12].[O:1]=[C:2]([H:9])[H:10],"InChI=1S/C5H5NO/c1-2-5(3-6)4-7/h1,5,7H,4H2/t5-/m0/s1","InChI=1S/C4H3N.CH2O/c5-3-4-1-2-4;1-2/h1-2,4H;1H2",56.47934,29.23494,
10973,[O:1]([C:2]([C@@:3]([C:4]#[C:5][H:12])([C:6]#[N:7])[H:11])([H:9])[H:10])[H:8],[O:1]([C:2]([C:3](=[C:4]=[C:5]([N+:7]#[C-:6])[H:12])[H:11])([H:9])[H:10])[H:8],"InChI=1S/C5H5NO/c1-2-5(3-6)4-7/h1,5,7H,4H2/t5-/m0/s1","InChI=1S/C5H5NO/c1-6-4-2-3-5-7/h3-4,7H,5H2",85.3153,17.46656,
10974,[O:1]([C:2]([C@@:3]([C:4]#[C:5][H:12])([C:6]#[N:7])[H:11])([H:9])[H:10])[H:8],[O:1]([C@@:2]1([H:9])[C@@:3]([C:6]#[N:7])([H:11])[C:4]1=[C:5]([H:10])[H:12])[H:8],"InChI=1S/C5H5NO/c1-2-5(3-6)4-7/h1,5,7H,4H2/t5-/m0/s1","InChI=1S/C5H5NO/c1-3-4(2-6)5(3)7/h4-5,7H,1H2/t4-,5-/m1/s1",63.447419999999994,-3.35698,
10975,[O:1]([C:2]([C@@:3]([C:4]#[C:5][H:12])([C:6]#[N:7])[H:11])([H:9])[H:10])[H:8],[O:1]([C:2]([C:5](=[C:4]=[C:3]([C:6]#[N:7])[H:11])[H:12])([H:9])[H:10])[H:8],"InChI=1S/C5H5NO/c1-2-5(3-6)4-7/h1,5,7H,4H2/t5-/m0/s1","InChI=1S/C5H5NO/c6-4-2-1-3-5-7/h2-3,7H,5H2",88.6317,-8.88308,
10976,[O:1]([C:2]([C@@:3]([C:4]#[C:5][H:12])([C:6]#[N:7])[H:11])([H:9])[H:10])[H:8],[O:1]1[C:2]([H:9])([H:10])[C@@:3]([C:6]#[N:7])([H:11])[C:4]1=[C:5]([H:8])[H:12],"InChI=1S/C5H5NO/c1-2-5(3-6)4-7/h1,5,7H,4H2/t5-/m0/s1","InChI=1S/C5H5NO/c1-4-5(2-6)3-7-4/h5H,1,3H2/t5-/m0/s1",63.88598,-11.54922,
10977,[O:1]([C:2]([C@@:3]([C:4]#[C:5][H:12])([C:6]#[N:7])[H:11])([H:9])[H:10])[H:8],[O:1]([C:2]([C:3]([C:4]#[C:5][H:12])=[C:6]=[N:7][H:11])([H:9])[H:10])[H:8],"InChI=1S/C5H5NO/c1-2-5(3-6)4-7/h1,5,7H,4H2/t5-/m0/s1","InChI=1S/C5H5NO/c1-2-5(3-6)4-7/h1,6-7H,4H2",68.75389,11.11059,
10978,[O:1]([C:2]([C@@:3]([C:4]#[C:5][H:12])([C:6]#[N:7])[H:11])([H:9])[H:10])[H:8],[O:1]([C:2]([C@@:3]1([H:11])[C-:4]=[C:5]([H:12])[N+:7]#[C:6]1)([H:9])[H:10])[H:8],"InChI=1S/C5H5NO/c1-2-5(3-6)4-7/h1,5,7H,4H2/t5-/m0/s1","InChI=1S/C5H5NO/c7-4-5-1-2-6-3-5/h2,5,7H,4H2/t5-/m0/s1",86.90211,82.19128,
10979,[O:1]([C:2]([C@@:3]([C:4]#[C:5][H:12])([C:6]#[N:7])[H:11])([H:9])[H:10])[H:8],[O:1]([C:2]([C@:3]1([H:11])[C:4]([N+:7]#[C-:6])=[C:5]1[H:12])([H:9])[H:10])[H:8],"InChI=1S/C5H5NO/c1-2-5(3-6)4-7/h1,5,7H,4H2/t5-/m0/s1","InChI=1S/C5H5NO/c1-6-5-2-4(5)3-7/h2,4,7H,3H2/t4-/m1/s1",93.79951,37.458290000000005,
10980,[O:1]([C:2]([C:3]([C@@:4]([O:5][H:14])([C:6]#[C:7][H:15])[H:13])([H:11])[H:12])([H:9])[H:10])[H:8],[O:1]([C:2]([C:3]([C:4](=[C:6]=[C:7]([O:5][H:14])[H:15])[H:13])([H:11])[H:12])([H:9])[H:10])[H:8],"InChI=1S/C5H8O2/c1-2-5(7)3-4-6/h1,5-7H,3-4H2/t5-/m0/s1","InChI=1S/C5H8O2/c6-4-2-1-3-5-7/h1,5-7H,2,4H2",56.127280000000006,-5.84473,
10981,[O:1]([C:2]([C:3]([C@@:4]([O:5][H:14])([C:6]#[C:7][H:15])[H:13])([H:11])[H:12])([H:9])[H:10])[H:8],[O:1]1[C:2]([H:9])([H:10])[C:3]([H:11])([H:12])[C@:4]([O:5][H:14])([H:13])[C:6]1=[C:7]([H:8])[H:15],"InChI=1S/C5H8O2/c1-2-5(7)3-4-6/h1,5-7H,3-4H2/t5-/m0/s1","InChI=1S/C5H8O2/c1-4-5(6)2-3-7-4/h5-6H,1-3H2/t5-/m1/s1",46.56371,-28.1607,
10982,[O:1]([C:2]([C:3]([C@@:4]([O:5][H:14])([C:6]#[C:7][H:15])[H:13])([H:11])[H:12])([H:9])[H:10])[H:8],[O:1]1[C:2]([H:9])([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])=[C:6]=[C:7]1[H:15].[O:5]([H:8])[H:14],"InChI=1S/C5H8O2/c1-2-5(7)3-4-6/h1,5-7H,3-4H2/t5-/m0/s1","InChI=1S/C5H6O.H2O/c1-2-4-6-5-3-1;/h1,5H,2,4H2;1H2",45.474109999999996,21.56703,
10983,[O:1]([C:2]([C:3]([C@@:4]([O:5][H:14])([C:6]#[C:7][H:15])[H:13])([H:11])[H:12])([H:9])[H:10])[H:8],[O:1]([C:2]([C@@:3]1([H:11])[C@:4]([O:5][H:14])([H:13])[C:6]1=[C:7]([H:12])[H:15])([H:9])[H:10])[H:8],"InChI=1S/C5H8O2/c1-2-5(7)3-4-6/h1,5-7H,3-4H2/t5-/m0/s1","InChI=1S/C5H8O2/c1-3-4(2-6)5(3)7/h4-7H,1-2H2/t4-,5+/m1/s1",91.39548,0.38636,
10984,[O:1]([C:2]([C:3]([C@@:4]([O:5][H:14])([C:6]#[C:7][H:15])[H:13])([H:11])[H:12])([H:9])[H:10])[H:8],[C-:2]([C:3]([C:4]([O:5][H:14])=[C:6]=[C+:7][H:15])([H:11])[H:12])([H:9])[H:10].[O:1]([H:8])[H:13],"InChI=1S/C5H8O2/c1-2-5(7)3-4-6/h1,5-7H,3-4H2/t5-/m0/s1","InChI=1S/C5H6O.H2O/c1-3-5(6)4-2;/h1,6H,2,4H2;1H2",72.86261999999999,70.02207,
10985,[O:1]([C:2]([C:3]([C@@:4]([O:5][H:14])([C:6]#[C:7][H:15])[H:13])([H:11])[H:12])([H:9])[H:10])[H:8],[O:1]([C:2]([C:3]([C@@:4]1([H:13])[C:6]([O:5][H:14])=[C:7]1[H:15])([H:11])[H:12])([H:9])[H:10])[H:8],"InChI=1S/C5H8O2/c1-2-5(7)3-4-6/h1,5-7H,3-4H2/t5-/m0/s1","InChI=1S/C5H8O2/c6-2-1-4-3-5(4)7/h3-4,6-7H,1-2H2/t4-/m1/s1",64.04836,11.204830000000001,
10986,[O:1]([C:2]([C:3]([C@@:4]([O:5][H:14])([C:6]#[C:7][H:15])[H:13])([H:11])[H:12])([H:9])[H:10])[H:8],[C:3](=[C:4]([C:6]#[C:7][H:15])[H:13])([H:11])[H:12].[O:1]=[C:2]([H:9])[H:10].[O:5]([H:8])[H:14],"InChI=1S/C5H8O2/c1-2-5(7)3-4-6/h1,5-7H,3-4H2/t5-/m0/s1","InChI=1S/C4H4.CH2O.H2O/c1-3-4-2;1-2;/h1,4H,2H2;1H2;1H2",39.55677,27.352690000000003,
10987,[O:1]([C:2]([C:3]([C@@:4]([O:5][H:14])([C:6]#[C:7][H:15])[H:13])([H:11])[H:12])([H:9])[H:10])[H:8],[O:1]1[C:2]([H:9])([H:10])[C:3]([H:11])([H:12])[C@:4]([O:5][H:14])([H:13])[C:6][C:7]1([H:8])[H:15],"InChI=1S/C5H8O2/c1-2-5(7)3-4-6/h1,5-7H,3-4H2/t5-/m0/s1","InChI=1S/C5H8O2/c6-5-1-3-7-4-2-5/h5-6H,1,3-4H2/t5-/m1/s1",58.39201,51.66257,
10988,[O:1]([C:2]([C:3]([C@@:4]([O:5][H:14])([C:6]#[C:7][H:15])[H:13])([H:11])[H:12])([H:9])[H:10])[H:8],[O:1]([C:2]([C:3]([C:4]([O:5][H:14])=[C:6]=[C:7]([H:13])[H:15])([H:11])[H:12])([H:9])[H:10])[H:8],"InChI=1S/C5H8O2/c1-2-5(7)3-4-6/h1,5-7H,3-4H2/t5-/m0/s1","InChI=1S/C5H8O2/c1-2-5(7)3-4-6/h6-7H,1,3-4H2",69.54696,-10.89282,
10989,[O:1]([C:2]([C:3]([C@@:4]([O:5][H:14])([C:6]#[C:7][H:15])[H:13])([H:11])[H:12])([H:9])[H:10])[H:8],[C:3]1([H:11])([H:12])[C@:4]([O:5][H:14])([H:13])[C:6]1=[C:7]([H:8])[H:15].[O:1]=[C:2]([H:9])[H:10],"InChI=1S/C5H8O2/c1-2-5(7)3-4-6/h1,5-7H,3-4H2/t5-/m0/s1","InChI=1S/C4H6O.CH2O/c1-3-2-4(3)5;1-2/h4-5H,1-2H2;1H2/t4-;/m1./s1",55.88134,20.42551,
10990,[O:1]([C:2]([C:3]([C@@:4]([O:5][H:14])([C:6]#[C:7][H:15])[H:13])([H:11])[H:12])([H:9])[H:10])[H:8],[C+:4](=[C:6]=[C-:7][H:15])[H:13].[O:1]1[C:2]([H:9])([H:10])[C:3]1([H:11])[H:12].[O:5]([H:8])[H:14],"InChI=1S/C5H8O2/c1-2-5(7)3-4-6/h1,5-7H,3-4H2/t5-/m0/s1",InChI=1S/C3H2.C2H4O.H2O/c1-3-2;1-2-3-1;/h1-2H;1-2H2;1H2,89.31023,113.64575,
10991,[O:1]([C:2]([C:3]([C@@:4]([O:5][H:14])([C:6]#[C:7][H:15])[H:13])([H:11])[H:12])([H:9])[H:10])[H:8],[H:10][H:12].[O:1](/[C:2](=[C:3](/[C@@:4]([O:5][H:14])([C:6]#[C:7][H:15])[H:13])[H:11])[H:9])[H:8],"InChI=1S/C5H8O2/c1-2-5(7)3-4-6/h1,5-7H,3-4H2/t5-/m0/s1","InChI=1S/C5H6O2.H2/c1-2-5(7)3-4-6;/h1,3-7H;1H/b4-3+;/t5-;/m0./s1",92.78282,27.682920000000003,
10992,[O:1]([C:2]([C:3]([C@@:4]([O:5][H:14])([C:6]#[C:7][H:15])[H:13])([H:11])[H:12])([H:9])[H:10])[H:8],[C:3](=[C:4]([O:5][H:14])[H:13])([H:11])[H:12].[C:6](#[C:7][H:15])[H:8].[O:1]=[C:2]([H:9])[H:10],"InChI=1S/C5H8O2/c1-2-5(7)3-4-6/h1,5-7H,3-4H2/t5-/m0/s1","InChI=1S/C2H4O.C2H2.CH2O/c1-2-3;2*1-2/h2-3H,1H2;1-2H;1H2",53.87376999999999,40.852129999999995,
10993,[O:1]([C:2]([C:3]([C@@:4]([O:5][H:14])([C:6]#[C:7][H:15])[H:13])([H:11])[H:12])([H:9])[H:10])[H:8],[O:1]1[C:2]([H:9])([H:10])[C:3]([H:11])([H:12])[C@@:4]1([C:6]#[C:7][H:15])[H:13].[O:5]([H:8])[H:14],"InChI=1S/C5H8O2/c1-2-5(7)3-4-6/h1,5-7H,3-4H2/t5-/m0/s1","InChI=1S/C5H6O.H2O/c1-2-5-3-4-6-5;/h1,5H,3-4H2;1H2/t5-;/m0./s1",57.939919999999994,25.64639,
10994,[O:1]([C:2]([C:3]([C@@:4]([O:5][H:14])([C:6]#[C:7][H:15])[H:13])([H:11])[H:12])([H:9])[H:10])[H:8],[C-:4]([O:5][H:14])=[C:6]=[C+:7][H:15].[O:1]([C:2]([C:3]([H:11])([H:12])[H:13])([H:9])[H:10])[H:8],"InChI=1S/C5H8O2/c1-2-5(7)3-4-6/h1,5-7H,3-4H2/t5-/m0/s1","InChI=1S/C3H2O.C2H6O/c1-2-3-4;1-2-3/h1,4H;3H,2H2,1H3",64.2684,63.76465,
10995,[O:1]([C:2]([C:3]([C@@:4]([O:5][H:14])([C:6]#[C:7][H:15])[H:13])([H:11])[H:12])([H:9])[H:10])[H:8],[H:10][H:14].[O:1]=[C:2]([C:3]([C@@:4]([O:5][H:8])([C:6]#[C:7][H:15])[H:13])([H:11])[H:12])[H:9],"InChI=1S/C5H8O2/c1-2-5(7)3-4-6/h1,5-7H,3-4H2/t5-/m0/s1","InChI=1S/C5H6O2.H2/c1-2-5(7)3-4-6;/h1,4-5,7H,3H2;1H/t5-;/m0./s1",51.242490000000004,18.36897,
10996,[C:1]1([H:8])([H:9])[O:2][C@@:3]2([H:10])[C:4]([H:11])=[C:5]([H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15],[C:1]1([H:8])([H:9])[O+:2]=[C-:3][C:4]([H:11])=[C:5]([H:12])[C:6]([H:13])([H:14])[C:7]1([H:10])[H:15],"InChI=1S/C6H8O/c1-2-5-4-7-6(5)3-1/h1,3,5-6H,2,4H2/t5-,6-/m0/s1","InChI=1S/C6H8O/c1-2-4-6-7-5-3-1/h1,3H,2,4,6H2",73.14010999999999,37.79266,
10997,[C:1]1([H:8])([H:9])[O:2][C@@:3]2([H:10])[C:4]([H:11])=[C:5]([H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15],[C:1]1([H:8])([H:9])[O:2][C@@:3]2([H:10])[C:4]([H:11])([H:15])[C-:5]([H:12])[C:6]([H:13])([H:14])[C+:7]12,"InChI=1S/C6H8O/c1-2-5-4-7-6(5)3-1/h1,3,5-6H,2,4H2/t5-,6-/m0/s1","InChI=1S/C6H8O/c1-2-5-4-7-6(5)3-1/h1,6H,2-4H2/t6-/m0/s1",100.76154,85.81616,
10998,[C:1]1([H:8])([H:9])[O:2][C@@:3]2([H:10])[C:4]([H:11])=[C:5]([H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15],[C:1]([O:2][H:15])([C:7]1=[C:3]([H:10])[C:4]([H:11])=[C:5]([H:12])[C:6]1([H:13])[H:14])([H:8])[H:9],"InChI=1S/C6H8O/c1-2-5-4-7-6(5)3-1/h1,3,5-6H,2,4H2/t5-,6-/m0/s1","InChI=1S/C6H8O/c7-5-6-3-1-2-4-6/h1-3,7H,4-5H2",93.90088,-15.8358,
10999,[C:1]1([H:8])([H:9])[O:2][C@@:3]2([H:10])[C:4]([H:11])=[C:5]([H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15],[C:1](=[C:7]([C:6](/[C:5](=[C:4](\[C:3](=[O:2])[H:10])[H:11])[H:12])([H:13])[H:14])[H:15])([H:8])[H:9],"InChI=1S/C6H8O/c1-2-5-4-7-6(5)3-1/h1,3,5-6H,2,4H2/t5-,6-/m0/s1","InChI=1S/C6H8O/c1-2-3-4-5-6-7/h2,4-6H,1,3H2/b5-4-",43.24955,-8.15293,
11000,[C:1]1([H:8])([H:9])[O:2][C@@:3]2([H:10])[C:4]([H:11])=[C:5]([H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15],[C:1]1([H:8])([H:9])[C@:5]2([H:12])[C@:4]3([H:11])[O:2][C@:3]3([H:10])[C@@:7]1([H:15])[C:6]2([H:13])[H:14],"InChI=1S/C6H8O/c1-2-5-4-7-6(5)3-1/h1,3,5-6H,2,4H2/t5-,6-/m0/s1","InChI=1S/C6H8O/c1-3-2-4(1)6-5(3)7-6/h3-6H,1-2H2/t3-,4+,5-,6+",79.23799,23.67527,
11001,[C:1]1([H:8])([H:9])[O:2][C@@:3]2([H:10])[C:4]([H:11])=[C:5]([H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15],[C:1]1([H:8])([H:9])[O:2][C@@:3]2([H:10])[C:4]([H:11])([H:13])[C:5]([H:12])=[C:6]([H:14])[C@@:7]12[H:15],"InChI=1S/C6H8O/c1-2-5-4-7-6(5)3-1/h1,3,5-6H,2,4H2/t5-,6-/m0/s1","InChI=1S/C6H8O/c1-2-5-4-7-6(5)3-1/h1-2,5-6H,3-4H2/t5-,6-/m0/s1",74.08570999999999,-0.83401,
11002,[C:1]1([H:8])([H:9])[O:2][C@@:3]2([H:10])[C:4]([H:11])=[C:5]([H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15],[C:1]1([H:8])([H:9])[O:2][C:3]([H:10])([H:11])[C:7]1([C:6]([C:5](=[C:4])[H:12])([H:13])[H:14])[H:15],"InChI=1S/C6H8O/c1-2-5-4-7-6(5)3-1/h1,3,5-6H,2,4H2/t5-,6-/m0/s1","InChI=1S/C6H8O/c1-2-3-6-4-7-5-6/h2,6H,3-5H2",73.48711,79.89217,
11003,[C:1]1([H:8])([H:9])[O:2][C@@:3]2([H:10])[C:4]([H:11])=[C:5]([H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15],[C:1]1([H:8])([H:9])[O:2][C@@:3]2([H:10])[C:4]([H:11])([H:12])[C:5][C:6]([H:13])([H:14])[C@@:7]12[H:15],"InChI=1S/C6H8O/c1-2-5-4-7-6(5)3-1/h1,3,5-6H,2,4H2/t5-,6-/m0/s1","InChI=1S/C6H8O/c1-2-5-4-7-6(5)3-1/h5-6H,2-4H2/t5-,6-/m0/s1",72.53381,73.22587,Singlet_Carbene_Intra_Disproportionation
11004,[C:1]1([H:8])([H:9])[O:2][C@@:3]2([H:10])[C:4]([H:11])=[C:5]([H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15],[C:1]1([H:8])([H:9])[O:2][C@:4]2([H:11])[C@@:3]3([H:10])[C@:5]2([H:12])[C:6]([H:13])([H:14])[C@@:7]13[H:15],"InChI=1S/C6H8O/c1-2-5-4-7-6(5)3-1/h1,3,5-6H,2,4H2/t5-,6-/m0/s1","InChI=1S/C6H8O/c1-3-2-7-6-4(1)5(3)6/h3-6H,1-2H2/t3-,4-,5+,6-/m0/s1",49.03838,15.139439999999999,
11005,[C:1]1([H:8])([H:9])[O:2][C@@:3]2([H:10])[C:4]([H:11])=[C:5]([H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15],[C:1]([O:2][H:14])([C:7]1([H:15])[C:3]([H:10])=[C:4]([H:11])[C:5]([H:12])=[C:6]1[H:13])([H:8])[H:9],"InChI=1S/C6H8O/c1-2-5-4-7-6(5)3-1/h1,3,5-6H,2,4H2/t5-,6-/m0/s1","InChI=1S/C6H8O/c7-5-6-3-1-2-4-6/h1-4,6-7H,5H2",40.4836,-13.38335,
11006,[C:1]1([H:8])([H:9])[O:2][C@@:3]2([H:10])[C:4]([H:11])=[C:5]([H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15],[C-:1]1([H:9])[O+:2]=[C:3]([H:10])[C:7]1([C:6]([C:5](=[C:4]([H:8])[H:11])[H:12])([H:13])[H:14])[H:15],"InChI=1S/C6H8O/c1-2-5-4-7-6(5)3-1/h1,3,5-6H,2,4H2/t5-,6-/m0/s1","InChI=1S/C6H8O/c1-2-3-6-4-7-5-6/h2,4-6H,1,3H2",78.21597,67.57193000000001,
11007,[C:1]1([H:8])([H:9])[O:2][C@@:3]2([H:10])[C:4]([H:11])=[C:5]([H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15],[C:1]1([H:8])([H:9])[O:2][C@@:3]2([H:10])[C:4]([H:11])=[C:5]=[C:6]([H:13])[C@@:7]12[H:15].[H:12][H:14],"InChI=1S/C6H8O/c1-2-5-4-7-6(5)3-1/h1,3,5-6H,2,4H2/t5-,6-/m0/s1","InChI=1S/C6H6O.H2/c1-2-5-4-7-6(5)3-1;/h2-3,5-6H,4H2;1H/t5-,6-;/m0./s1",99.11017,92.1676,
11008,[C:1]1([H:8])([H:9])[O:2][C@@:3]2([H:10])[C:4]([H:11])=[C:5]([H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15],[C:1]1([H:8])([H:9])[O+:2]=[C:3]2[C:4]([H:10])([H:11])[C-:5]([H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15],"InChI=1S/C6H8O/c1-2-5-4-7-6(5)3-1/h1,3,5-6H,2,4H2/t5-,6-/m0/s1","InChI=1S/C6H8O/c1-2-5-4-7-6(5)3-1/h1,5H,2-4H2/t5-/m0/s1",81.82925999999999,73.31481,
11009,[C:1]1([H:8])([H:9])[O:2][C@@:3]2([H:10])[C:4]([H:11])=[C:5]([H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15],[C:1]1([H:8])([H:9])[O:2][C@:3]([C:4](=[C:5])[H:11])([H:10])[C@:7]1([C:6]([H:12])([H:13])[H:14])[H:15],"InChI=1S/C6H8O/c1-2-5-4-7-6(5)3-1/h1,3,5-6H,2,4H2/t5-,6-/m0/s1","InChI=1S/C6H8O/c1-3-6-5(2)4-7-6/h3,5-6H,4H2,2H3/t5-,6-/m0/s1",76.58795,77.59339,
11010,[C:1]1([H:8])([H:9])[O:2][C@@:3]2([H:10])[C:4]([H:11])=[C:5]([H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15],[C:1]([O:2]/[C:3](=[C:4](\[C:5][H:12])[H:11])[H:10])([C:7](=[C:6]([H:13])[H:14])[H:15])([H:8])[H:9],"InChI=1S/C6H8O/c1-2-5-4-7-6(5)3-1/h1,3,5-6H,2,4H2/t5-,6-/m0/s1","InChI=1S/C6H8O/c1-3-5-7-6-4-2/h1,3-5H,2,6H2/b5-3-",75.73998,73.58763,
11011,[C:1]1([H:8])([H:9])[O:2][C@@:3]2([H:10])[C:4]([H:11])=[C:5]([H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15],[C:1]1([H:8])=[C:7]([H:15])[C@@:3](/[C:4](=[C:5](\[C:6]([H:9])([H:13])[H:14])[H:12])[H:11])([H:10])[O:2]1,"InChI=1S/C6H8O/c1-2-5-4-7-6(5)3-1/h1,3,5-6H,2,4H2/t5-,6-/m0/s1","InChI=1S/C6H8O/c1-2-3-6-4-5-7-6/h2-6H,1H3/b3-2-/t6-/m0/s1",123.86351,16.87396,
11012,[C:1]1([H:8])([H:9])[O:2][C@@:3]2([H:10])[C:4]([H:11])=[C:5]([H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15],[C:1]1([H:8])([H:9])[O:2][C:3]([H:10])([H:15])[C:4]([H:11])=[C:5]([H:12])[C:6]([H:13])([H:14])[C:7]1,"InChI=1S/C6H8O/c1-2-5-4-7-6(5)3-1/h1,3,5-6H,2,4H2/t5-,6-/m0/s1","InChI=1S/C6H8O/c1-2-4-6-7-5-3-1/h1,3H,2,5-6H2",76.98413000000001,70.28171999999999,
11013,[C:1]1([H:8])([H:9])[O:2][C@@:3]2([H:10])[C:4]([H:11])=[C:5]([H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15],[C:1](=[O:2])([C:7](/[C:3](=[C:4](\[C:5](=[C:6]([H:13])[H:14])[H:12])[H:11])[H:10])([H:9])[H:15])[H:8],"InChI=1S/C6H8O/c1-2-5-4-7-6(5)3-1/h1,3,5-6H,2,4H2/t5-,6-/m0/s1","InChI=1S/C6H8O/c1-2-3-4-5-6-7/h2-4,6H,1,5H2/b4-3-",59.25748000000001,-7.054189999999999,
11014,[C:1]1([H:8])([H:9])[O:2][C@@:3]2([H:10])[C:4]([H:11])=[C:5]([H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15],[C:1]([O:2][H:11])([C@@:7]1([H:15])[C:3]([H:10])=[C:4]=[C:5]([H:12])[C:6]1([H:13])[H:14])([H:8])[H:9],"InChI=1S/C6H8O/c1-2-5-4-7-6(5)3-1/h1,3,5-6H,2,4H2/t5-,6-/m0/s1","InChI=1S/C6H8O/c7-5-6-3-1-2-4-6/h1,4,6-7H,3,5H2/t6-/m1/s1",77.53735,49.832159999999995,
11015,[C:1]1([H:8])([H:9])[O:2][C@@:3]2([H:10])[C:4]([H:11])=[C:5]([H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15],[C:1]1([H:8])([H:9])[O:2][C@@:3]2([H:10])[C@@:4]([C:5](=[C:6]([H:13])[H:14])[H:12])([H:11])[C@@:7]12[H:15],"InChI=1S/C6H8O/c1-2-5-4-7-6(5)3-1/h1,3,5-6H,2,4H2/t5-,6-/m0/s1","InChI=1S/C6H8O/c1-2-4-5-3-7-6(4)5/h2,4-6H,1,3H2/t4-,5-,6+/m1/s1",76.4425,29.428140000000003,
11016,[C:1]1([H:8])([H:9])[O:2][C@@:3]2([H:10])[C:4]([H:11])=[C:5]([H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15],[C:1]1([H:8])([H:9])[O:2][C:3]([H:10])=[C:4]([H:11])[C@:5]2([H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15],"InChI=1S/C6H8O/c1-2-5-4-7-6(5)3-1/h1,3,5-6H,2,4H2/t5-,6-/m0/s1","InChI=1S/C6H8O/c1-2-7-4-6-3-5(1)6/h1-2,5-6H,3-4H2/t5-,6+/m1/s1",48.93377,31.217840000000002,
11017,[C:1]1([H:8])([H:9])[O:2][C@@:3]2([H:10])[C:4]([H:11])=[C:5]([H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15],[C:1]1([H:8])([H:9])[O:2][C@@:3]2([H:10])[C:4][C:5]([H:11])([H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15],"InChI=1S/C6H8O/c1-2-5-4-7-6(5)3-1/h1,3,5-6H,2,4H2/t5-,6-/m0/s1","InChI=1S/C6H8O/c1-2-5-4-7-6(5)3-1/h5-6H,1-2,4H2/t5-,6-/m0/s1",72.79711,75.85555,Singlet_Carbene_Intra_Disproportionation
11018,[C:1]1([H:8])([H:9])[O:2][C@@:3]2([H:10])[C:4]([H:11])=[C:5]([H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15],[C:1](=[O:2])([H:8])[H:9].[C:3]1([H:10])=[C:7]([H:15])[C:6]([H:13])([H:14])[C:5]([H:12])=[C:4]1[H:11],"InChI=1S/C6H8O/c1-2-5-4-7-6(5)3-1/h1,3,5-6H,2,4H2/t5-,6-/m0/s1","InChI=1S/C5H6.CH2O/c1-2-4-5-3-1;1-2/h1-4H,5H2;1H2",37.37727,3.01169,2+2_cycloaddition
11019,[C:1]1([H:8])([H:9])[O:2][C@@:3]2([H:10])[C:4]([H:11])=[C:5]([H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15],[C-:1]1=[O+:2][C@@:3]2([H:10])[C:4]([H:11])=[C:5]([H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15].[H:8][H:9],"InChI=1S/C6H8O/c1-2-5-4-7-6(5)3-1/h1,3,5-6H,2,4H2/t5-,6-/m0/s1","InChI=1S/C6H6O.H2/c1-2-5-4-7-6(5)3-1;/h1,3,5-6H,2H2;1H/t5-,6-;/m0./s1",75.71858,69.04796,
11020,[C:1]1([H:8])([H:9])[O:2][C@@:3]2([H:10])[C:4]([H:11])=[C:5]([H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15],[C:1]([C@@:7]1([H:15])[C@:3]([O:2][H:8])([H:10])[C:4]([H:11])=[C:5]([H:12])[C:6]1([H:13])[H:14])[H:9],"InChI=1S/C6H8O/c1-2-5-4-7-6(5)3-1/h1,3,5-6H,2,4H2/t5-,6-/m0/s1","InChI=1S/C6H8O/c1-5-3-2-4-6(5)7/h1-2,4-7H,3H2/t5-,6+/m1/s1",71.29720999999999,70.62961,
11021,[C:1]1([H:8])([H:9])[O:2][C@@:3]2([H:10])[C:4]([H:11])=[C:5]([H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15],[C:1]1([H:9])=[C:7]2[C@@:3]([H:10])([O:2]1)[C:4]([H:11])=[C:5]([H:12])[C:6]2([H:13])[H:14].[H:8][H:15],"InChI=1S/C6H8O/c1-2-5-4-7-6(5)3-1/h1,3,5-6H,2,4H2/t5-,6-/m0/s1","InChI=1S/C6H6O.H2/c1-2-5-4-7-6(5)3-1;/h1,3-4,6H,2H2;1H/t6-;/m0./s1",102.10046,45.5347,
11022,[C:1]1([H:8])([H:9])[O:2][C@@:3]2([H:10])[C:4]([H:11])=[C:5]([H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15],[C:1]([O:2][H:10])([C@@:7]1([H:15])[C-:3]=[C:4]([H:11])[C+:5]([H:12])[C:6]1([H:13])[H:14])([H:8])[H:9],"InChI=1S/C6H8O/c1-2-5-4-7-6(5)3-1/h1,3,5-6H,2,4H2/t5-,6-/m0/s1","InChI=1S/C6H8O/c7-5-6-3-1-2-4-6/h1-2,6-7H,3,5H2/t6-/m1/s1",56.109680000000004,49.22696,
11023,[N:1]#[C:2][C:3](=[C:4]([O-:5])[H:8])[N+:7]#[N:6],[C-:4]#[O+:5].[N-:1]([C:2]#[C:3][N+:7]#[N:6])[H:8],InChI=1S/C3HN3O/c4-1-3(2-7)6-5/h2H,InChI=1S/C2HN3.CO/c3-1-2-5-4;1-2/h3H;,52.51416999999999,19.07542,
11024,[N:1]#[C:2][C:3](=[C:4]([O-:5])[H:8])[N+:7]#[N:6],[N:1]#[C:2][C:3]1([C:4](=[O:5])[H:8])[N:6]=[N:7]1,InChI=1S/C3HN3O/c4-1-3(2-7)6-5/h2H,InChI=1S/C3HN3O/c4-1-3(2-7)5-6-3/h2H,39.03223,31.5309,
11025,[N:1]#[C:2][C:3](=[C:4]([O-:5])[H:8])[N+:7]#[N:6],[N+:1](#[C-:2])[C:3](=[C:4]([O-:5])[H:8])[N+:7]#[N:6],InChI=1S/C3HN3O/c4-1-3(2-7)6-5/h2H,InChI=1S/C3HN3O/c1-5-3(2-7)6-4/h2H,51.75742,29.377229999999997,
11026,[N:1]#[C:2][C:3](=[C:4]([O-:5])[H:8])[N+:7]#[N:6],[N:1]#[C:2][N-:6][N+:7]#[C:3][C:4](=[O:5])[H:8],InChI=1S/C3HN3O/c4-1-3(2-7)6-5/h2H,InChI=1S/C3HN3O/c4-3-6-5-1-2-7/h2H,89.9537,40.08553,
11027,[N:1]#[C:2][C:3](=[C:4]([O-:5])[H:8])[N+:7]#[N:6],[N:1]#[C:2][O:5][C:4](=[C:3]=[N+:7]=[N-:6])[H:8],InChI=1S/C3HN3O/c4-1-3(2-7)6-5/h2H,InChI=1S/C3HN3O/c4-3-7-2-1-6-5/h2H,60.88503000000001,46.56086,
11028,[N:1]#[C:2][C:3](=[C:4]([O-:5])[H:8])[N+:7]#[N:6],[N:1]#[C:2][C:3]#[C:4][H:8].[O:5]=[N+:6]=[N-:7],InChI=1S/C3HN3O/c4-1-3(2-7)6-5/h2H,InChI=1S/C3HN.N2O/c1-2-3-4;1-2-3/h1H;,65.35207,50.355740000000004,
11029,[N:1]#[C:2][C:3](=[C:4]([O-:5])[H:8])[N+:7]#[N:6],[C-:4]#[O+:5].[N:1]#[C:2][C:3](=[N+:7]=[N-:6])[H:8],InChI=1S/C3HN3O/c4-1-3(2-7)6-5/h2H,InChI=1S/C2HN3.CO/c3-1-2-5-4;1-2/h2H;,63.271640000000005,12.661480000000001,
11030,[N:1]#[C:2][C:3](=[C:4]([O-:5])[H:8])[N+:7]#[N:6],[N:1]#[C:2][N+:7]([C:4](=[C:3]=[O:5])[H:8])=[N-:6],InChI=1S/C3HN3O/c4-1-3(2-7)6-5/h2H,InChI=1S/C3HN3O/c4-3-6(5)1-2-7/h1H,140.75744,70.11584,
11031,[N:1]#[C:2][C:3](=[C:4]([O-:5])[H:8])[N+:7]#[N:6],[N:1]1=[O+:5][C:4]([H:8])=[C:3]=[C:2]1[N:7]=[N-:6],InChI=1S/C3HN3O/c4-1-3(2-7)6-5/h2H,InChI=1S/C3HN3O/c4-5-3-1-2-7-6-3/h2H,129.45646000000002,90.63866999999999,
11032,[N:1]#[C:2][C:3](=[C:4]([O-:5])[H:8])[N+:7]#[N:6],[N:1]#[C:2][C:3](=[C:4]=[O:5])[H:8].[N:6]#[N:7],InChI=1S/C3HN3O/c4-1-3(2-7)6-5/h2H,InChI=1S/C3HNO.N2/c4-2-1-3-5;1-2/h1H;,27.93334,-29.942490000000003,
11033,[N:1]#[C:2][C:3](=[C:4]([O-:5])[H:8])[N+:7]#[N:6],[N+:1]1#[C:2][C@:3]1([C:4](=[O:5])[H:8])[N:7]=[N-:6],InChI=1S/C3HN3O/c4-1-3(2-7)6-5/h2H,InChI=1S/C3HN3O/c4-6-3(2-7)1-5-3/h2H/t3-/m1/s1,57.87835,58.792880000000004,
11034,[N:1]#[C:2][C:3](=[C:4]([O-:5])[H:8])[N+:7]#[N:6],[N:1]#[C:2][C-:3]([C:4][O:5][H:8])[N+:7]#[N:6],InChI=1S/C3HN3O/c4-1-3(2-7)6-5/h2H,InChI=1S/C3HN3O/c4-1-3(2-7)6-5/h7H,67.35446999999999,44.18701,
11035,[N:1]#[C:2][C:3](=[C:4]([O-:5])[H:8])[N+:7]#[N:6],[N+:1](#[C-:2])[N-:6][N+:7]#[C:3][C:4](=[O:5])[H:8],InChI=1S/C3HN3O/c4-1-3(2-7)6-5/h2H,InChI=1S/C3HN3O/c1-4-6-5-2-3-7/h3H,110.8535,85.95915,
11036,[N:1]#[C:2][C:3](=[C:4]([O-:5])[H:8])[N+:7]#[N:6],[N:1](=[C:2]=[C:3]=[N+:7]=[N-:6])[C:4](=[O:5])[H:8],InChI=1S/C3HN3O/c4-1-3(2-7)6-5/h2H,InChI=1S/C3HN3O/c4-6-2-1-5-3-7/h3H,59.15016,23.48301,
11037,[N:1]#[C:2][C:3](=[C:4]([O-:5])[H:8])[N+:7]#[N:6],[N:1]#[C:2][C+:3]=[C:4]([O-:5])[H:8].[N:6]#[N:7],InChI=1S/C3HN3O/c4-1-3(2-7)6-5/h2H,InChI=1S/C3HNO.N2/c4-2-1-3-5;1-2/h3H;,32.10305,36.2683,
11038,[N:1]#[C:2][C:3](=[C:4]([O-:5])[H:8])[N+:7]#[N:6],[N+:1](#[C-:2])[N+:7]1=[C:3]=[C:4]([H:8])[O:5][N-:6]1,InChI=1S/C3HN3O/c4-1-3(2-7)6-5/h2H,InChI=1S/C3HN3O/c1-4-6-2-3-7-5-6/h3H,133.63371999999998,125.35633999999999,
11039,[N:1]#[C:2][C:3](=[C:4]([O-:5])[H:8])[N+:7]#[N:6],[N:1]([C:2](=[C:3]=[C:4]=[O:5])[H:8])=[N+:7]=[N-:6],InChI=1S/C3HN3O/c4-1-3(2-7)6-5/h2H,InChI=1S/C3HN3O/c4-6-5-2-1-3-7/h2H,63.6002,36.19551,
11040,[N:1]#[C:2][C:3](=[C:4]([O-:5])[H:8])[N+:7]#[N:6],[N:1]#[C:2][C:3](=[C:4]=[O:5])/[N:7]=[N:6]\[H:8],InChI=1S/C3HN3O/c4-1-3(2-7)6-5/h2H,InChI=1S/C3HN3O/c4-1-3(2-7)6-5/h5H/b6-5-,31.64172,25.45266,
11041,[N:1]#[C:2][C:3](=[C:4]([O-:5])[H:8])[N+:7]#[N:6],[N:1]1=[C:2]=[C:3]1[C:4](=[O:5])[H:8].[N:6]#[N:7],InChI=1S/C3HN3O/c4-1-3(2-7)6-5/h2H,InChI=1S/C3HNO.N2/c5-2-3-1-4-3;1-2/h2H;,82.62223,45.72775,
11042,[C:1]([C:2]([C:3]([N:4]([C:5](=[O:6])[C:7]([H:16])([H:17])[H:18])[H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([N:4]([C:5]([O:6][H:17])=[C:7]([H:16])[H:18])[H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H11NO/c1-3-4-6-5(2)7/h3-4H2,1-2H3,(H,6,7)","InChI=1S/C5H11NO/c1-3-4-6-5(2)7/h6-7H,2-4H2,1H3",61.22596,23.40827,ketoenol
11043,[C:1]([C:2]([C:3]([N:4]([C:5](=[O:6])[C:7]([H:16])([H:17])[H:18])[H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](=[C:2]([H:11])[H:12])([H:8])[H:9].[C:3](=[N:4][H:15])([H:13])[H:14].[C:5](=[O:6])([C:7]([H:16])([H:17])[H:18])[H:10],"InChI=1S/C5H11NO/c1-3-4-6-5(2)7/h3-4H2,1-2H3,(H,6,7)","InChI=1S/C2H4O.C2H4.CH3N/c1-2-3;2*1-2/h2H,1H3;1-2H2;2H,1H2",77.88713,62.00779,
11044,[C:1]([C:2]([C:3]([N:4]([C:5](=[O:6])[C:7]([H:16])([H:17])[H:18])[H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([N:4]=[C:5]=[O:6])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10].[C:7]([H:15])([H:16])([H:17])[H:18],"InChI=1S/C5H11NO/c1-3-4-6-5(2)7/h3-4H2,1-2H3,(H,6,7)","InChI=1S/C4H7NO.CH4/c1-2-3-5-4-6;/h2-3H2,1H3;1H4",71.67631,7.95553,
11045,[C:1]([C:2]([C:3]([N:4]([C:5](=[O:6])[C:7]([H:16])([H:17])[H:18])[H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([O:6]/[C:5](=[N:4]/[H:15])[C:7]([H:16])([H:17])[H:18])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H11NO/c1-3-4-6-5(2)7/h3-4H2,1-2H3,(H,6,7)","InChI=1S/C5H11NO/c1-3-4-7-5(2)6/h6H,3-4H2,1-2H3/b6-5+",60.90936,15.58707,ketoenol
11046,[C:1]([C:2]([C:3]([N:4]([C:5](=[O:6])[C:7]([H:16])([H:17])[H:18])[H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:6]/[C:5](=[N:4]/[H:15])[C:7]([H:16])([H:17])[H:18])([H:8])([H:9])[H:10].[C:2](=[C:3]([H:13])[H:14])([H:11])[H:12],"InChI=1S/C5H11NO/c1-3-4-6-5(2)7/h3-4H2,1-2H3,(H,6,7)","InChI=1S/C3H7NO.C2H4/c1-3(4)5-2;1-2/h4H,1-2H3;1-2H2/b4-3+;",105.78192,40.25902,
11047,[C:1]([C:2]([C:3]([N:4]([C:5](=[O:6])[C:7]([H:16])([H:17])[H:18])[H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:5](=[O:6])[C:7]([H:16])([H:17])[H:18])([H:11])[H:12])([H:8])([H:9])[H:10].[C:3](=[N:4][H:15])([H:13])[H:14],"InChI=1S/C5H11NO/c1-3-4-6-5(2)7/h3-4H2,1-2H3,(H,6,7)","InChI=1S/C4H8O.CH3N/c1-3-4(2)5;1-2/h3H2,1-2H3;2H,1H2",95.44346,33.21427,
11048,[C:1]([C:2]([C:3]([N:4]([C:5](=[O:6])[C:7]([H:16])([H:17])[H:18])[H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C-:3](=[N+:4]([C:5](=[O:6])[C:7]([H:16])([H:17])[H:18])[H:15])[H:14].[C:1]([C:2]([H:11])([H:12])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H11NO/c1-3-4-6-5(2)7/h3-4H2,1-2H3,(H,6,7)","InChI=1S/C3H5NO.C2H6/c1-3(5)4-2;1-2/h2,4H,1H3;1-2H3",73.51459,71.8903,
11049,[C:1]([C:2]([C:3]([N:4]([C:5](=[O:6])[C:7]([H:16])([H:17])[H:18])[H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:3](\[N:4]=[C:5](/[O:6][H:13])[C:7]([H:16])([H:17])[H:18])[H:14])[H:11])([H:8])([H:9])[H:10].[H:12][H:15],"InChI=1S/C5H11NO/c1-3-4-6-5(2)7/h3-4H2,1-2H3,(H,6,7)","InChI=1S/C5H9NO.H2/c1-3-4-6-5(2)7;/h3-4H,1-2H3,(H,6,7);1H/b4-3-;",84.54404,32.9576,
11050,[C:1]([C:2]([C:3]([N:4]([C:5](=[O:6])[C:7]([H:16])([H:17])[H:18])[H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]([H:13])[H:14])[H:11])([H:8])([H:9])[H:10].[N:4](=[C:5](/[O:6][H:12])[C:7]([H:16])([H:17])[H:18])\[H:15],"InChI=1S/C5H11NO/c1-3-4-6-5(2)7/h3-4H2,1-2H3,(H,6,7)","InChI=1S/C3H6.C2H5NO/c1-3-2;1-2(3)4/h3H,1H2,2H3;1H3,(H2,3,4)",52.46584,24.60975,Retroene
11051,[C:1]([C:2]([C:3]([N:4]([C:5](=[O:6])[C:7]([H:16])([H:17])[H:18])[H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([N:4]([C-:5]=[O+:6][C:7]([H:16])([H:17])[H:18])[H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H11NO/c1-3-4-6-5(2)7/h3-4H2,1-2H3,(H,6,7)","InChI=1S/C5H11NO/c1-3-4-6-5-7-2/h6H,3-4H2,1-2H3",100.30159,58.11283,
11052,[C:1]([C:2]([C:3]([N:4]([C:5](=[O:6])[C:7]([H:16])([H:17])[H:18])[H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](=[C:2]([H:11])[H:12])([H:8])[H:9].[C:3](=[N:4][C:5](=[O:6])[C:7]([H:16])([H:17])[H:18])([H:13])[H:14].[H:10][H:15],"InChI=1S/C5H11NO/c1-3-4-6-5(2)7/h3-4H2,1-2H3,(H,6,7)","InChI=1S/C3H5NO.C2H4.H2/c1-3(5)4-2;1-2;/h2H2,1H3;1-2H2;1H",79.42182,61.37786,
11053,[C:1]([C:2]([C:3]([N:4]([C:5](=[O:6])[C:7]([H:16])([H:17])[H:18])[H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([O+:6]=[C:5]([N:4]([C-:3]([H:13])[H:14])[H:15])[C:7]([H:16])([H:17])[H:18])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H11NO/c1-3-4-6-5(2)7/h3-4H2,1-2H3,(H,6,7)","InChI=1S/C5H11NO/c1-4-7-5(2)6-3/h6H,3-4H2,1-2H3",78.04723,67.4365,
11054,[C:1]([C:2]([C:3]([N:4]([C:5](=[O:6])[C:7]([H:16])([H:17])[H:18])[H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3](/[N:4]=[C:5](/[O:6][H:15])[C:7]([H:16])([H:17])[H:18])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H11NO/c1-3-4-6-5(2)7/h3-4H2,1-2H3,(H,6,7)","InChI=1S/C5H11NO/c1-3-4-6-5(2)7/h3-4H2,1-2H3,(H,6,7)",38.90583,10.48414,ketoenol
11055,[C:1]([C:2]([C:3]([N:4]([C:5](=[O:6])[C:7]([H:16])([H:17])[H:18])[H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([O:6]/[C:5](=[N:4]/[H:15])[C:7]([H:16])([H:17])[H:18])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H11NO/c1-3-4-6-5(2)7/h3-4H2,1-2H3,(H,6,7)","InChI=1S/C5H11NO/c1-4(2)7-5(3)6/h4,6H,1-3H3/b6-5+",79.88466,13.48267,
11056,[C:1]([C:2]([C:3]([N:4]([C:5](=[O:6])[C:7]([H:16])([H:17])[H:18])[H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2](/[C:3](=[N+:4](\[C:5]([O-:6])=[C:7]([H:16])[H:18])[H:15])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10].[H:13][H:17],"InChI=1S/C5H11NO/c1-3-4-6-5(2)7/h3-4H2,1-2H3,(H,6,7)","InChI=1S/C5H9NO.H2/c1-3-4-6-5(2)7;/h4,7H,2-3H2,1H3;1H/b6-4-;",74.57343,60.51559,
11057,[C:1]([C:2]([C:3]([N:4]([C:5](=[O:6])[C:7]([H:16])([H:17])[H:18])[H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([N:4]([C:5](=[O:6])[C:7]([H:16])([H:17])[H:18])[H:15])([H:8])([H:9])[H:10].[C:2](=[C:3]([H:13])[H:14])([H:11])[H:12],"InChI=1S/C5H11NO/c1-3-4-6-5(2)7/h3-4H2,1-2H3,(H,6,7)","InChI=1S/C3H7NO.C2H4/c1-3(5)4-2;1-2/h1-2H3,(H,4,5);1-2H2",106.59357,24.74067,
11058,[C:1]([C:2]([C:3]([N:4]([C:5](=[O:6])[C:7]([H:16])([H:17])[H:18])[H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C@:2]1([H:11])[C:3]([H:13])([H:14])[N:4]([H:15])[C@@:5]1([O:6][H:12])[C:7]([H:16])([H:17])[H:18])([H:8])([H:9])[H:10],"InChI=1S/C5H11NO/c1-3-4-6-5(2)7/h3-4H2,1-2H3,(H,6,7)","InChI=1S/C5H11NO/c1-4-3-6-5(4,2)7/h4,6-7H,3H2,1-2H3/t4-,5-/m1/s1",88.28921,27.583959999999998,
11059,[C:1]([C:2]([C:3]([N:4]([C:5](=[O:6])[C:7]([H:16])([H:17])[H:18])[H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2](/[C:3](=[N:4]/[C:5](=[O:6])[C:7]([H:16])([H:17])[H:18])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10].[H:13][H:15],"InChI=1S/C5H11NO/c1-3-4-6-5(2)7/h3-4H2,1-2H3,(H,6,7)","InChI=1S/C5H9NO.H2/c1-3-4-6-5(2)7;/h4H,3H2,1-2H3;1H/b6-4+;",92.9095,32.14387,
11060,[C:1]([C:2]([C:3]([N:4]([C:5](=[O:6])[C:7]([H:16])([H:17])[H:18])[H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([C:5]([N:4]([C:7]([H:16])([H:17])[H:18])[H:15])=[O:6])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H11NO/c1-3-4-6-5(2)7/h3-4H2,1-2H3,(H,6,7)","InChI=1S/C5H11NO/c1-3-4-5(7)6-2/h3-4H2,1-2H3,(H,6,7)",100.63719,1.39688,
11061,[C:1]([C:2]([C:3]([N:4]([C:5](=[O:6])[C:7]([H:16])([H:17])[H:18])[H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3](/[N:4]=[C:5]1\[O:6][C:7]1([H:16])[H:18])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10].[H:15][H:17],"InChI=1S/C5H11NO/c1-3-4-6-5(2)7/h3-4H2,1-2H3,(H,6,7)","InChI=1S/C5H9NO.H2/c1-2-3-6-5-4-7-5;/h2-4H2,1H3;1H/b6-5-;",93.79101999999999,69.11014,
11062,[C:1]([C@:2]12[N:3]([H:11])[C@@:4]1([H:12])[C:5]([H:13])([H:14])[C:6]2=[O:7])([H:8])([H:9])[H:10],[C:1](=[C:2]([N:3]([C:4](=[C:5]([H:13])[H:14])[H:12])[H:11])[C:6](=[O:7])[H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-5-3(6-5)2-4(5)7/h3,6H,2H2,1H3/t3-,5-/m0/s1","InChI=1S/C5H7NO/c1-3-6-5(2)4-7/h3-4,6H,1-2H2",85.37454,-18.056,
11063,[C:1]([C@:2]12[N:3]([H:11])[C@@:4]1([H:12])[C:5]([H:13])([H:14])[C:6]2=[O:7])([H:8])([H:9])[H:10],[C-:6]#[O+:7].[C:1](/[C:2](=[N:3]/[H:11])[C:4](=[C:5]([H:13])[H:14])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-5-3(6-5)2-4(5)7/h3,6H,2H2,1H3/t3-,5-/m0/s1","InChI=1S/C4H7N.CO/c1-3-4(2)5;1-2/h3,5H,1H2,2H3;/b5-4-;",54.60165,-17.44424,
11064,[C:1]([C@:2]12[N:3]([H:11])[C@@:4]1([H:12])[C:5]([H:13])([H:14])[C:6]2=[O:7])([H:8])([H:9])[H:10],[C:1]([C:2][C@@:4]1([H:12])[N:3]([H:11])[C:6](=[O:7])[C:5]1([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-5-3(6-5)2-4(5)7/h3,6H,2H2,1H3/t3-,5-/m0/s1","InChI=1S/C5H7NO/c1-2-4-3-5(7)6-4/h4H,3H2,1H3,(H,6,7)/t4-/m1/s1",52.93852,52.28714,
11065,[C:1]([C@:2]12[N:3]([H:11])[C@@:4]1([H:12])[C:5]([H:13])([H:14])[C:6]2=[O:7])([H:8])([H:9])[H:10],[C:1]([C@:2]12[N:3]([H:11])[C-:4]1[C:5]([H:13])([H:14])[C+:6]2[O:7][H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-5-3(6-5)2-4(5)7/h3,6H,2H2,1H3/t3-,5-/m0/s1","InChI=1S/C5H7NO/c1-5-3(6-5)2-4(5)7/h6-7H,2H2,1H3/t5-/m0/s1",91.28251,56.82901999999999,
11066,[C:1]([C@:2]12[N:3]([H:11])[C@@:4]1([H:12])[C:5]([H:13])([H:14])[C:6]2=[O:7])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:4]1([H:12])[N:3]([H:11])[C:5]1([H:13])[H:14])=[C:6]=[O:7])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-5-3(6-5)2-4(5)7/h3,6H,2H2,1H3/t3-,5-/m0/s1","InChI=1S/C5H7NO/c1-4(3-7)5-2-6-5/h5-6H,2H2,1H3/t5-/m0/s1",68.10334,1.8023900000000002,
11067,[C:1]([C@:2]12[N:3]([H:11])[C@@:4]1([H:12])[C:5]([H:13])([H:14])[C:6]2=[O:7])([H:8])([H:9])[H:10],[C:1]([C:2](=[C+:6][C:5](/[C:4](=[N:3]\[H:11])[H:12])([H:13])[H:14])[O-:7])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-5-3(6-5)2-4(5)7/h3,6H,2H2,1H3/t3-,5-/m0/s1","InChI=1S/C5H7NO/c1-5(7)3-2-4-6/h4,6H,2H2,1H3/b6-4-",50.970279999999995,43.59939,
11068,[C:1]([C@:2]12[N:3]([H:11])[C@@:4]1([H:12])[C:5]([H:13])([H:14])[C:6]2=[O:7])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:12])[N:3]([H:11])[C:4][C:5]([H:13])([H:14])[C:6]1=[O:7])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-5-3(6-5)2-4(5)7/h3,6H,2H2,1H3/t3-,5-/m0/s1","InChI=1S/C5H7NO/c1-4-5(7)2-3-6-4/h4,6H,2H2,1H3/t4-/m1/s1",58.444759999999995,9.342080000000001,
11069,[C:1]([C@:2]12[N:3]([H:11])[C@@:4]1([H:12])[C:5]([H:13])([H:14])[C:6]2=[O:7])([H:8])([H:9])[H:10],[C:1]([C:2]1=[N:3][C@:4]1([C:5]([C:6](=[O:7])[H:11])([H:13])[H:14])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-5-3(6-5)2-4(5)7/h3,6H,2H2,1H3/t3-,5-/m0/s1","InChI=1S/C5H7NO/c1-4-5(6-4)2-3-7/h3,5H,2H2,1H3/t5-/m0/s1",71.02339,3.7939,
11070,[C:1]([C@:2]12[N:3]([H:11])[C@@:4]1([H:12])[C:5]([H:13])([H:14])[C:6]2=[O:7])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([C:4](=[C:5]([H:13])[H:14])[H:12])[N:3]([H:11])[C:6]1=[O:7])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-5-3(6-5)2-4(5)7/h3,6H,2H2,1H3/t3-,5-/m0/s1","InChI=1S/C5H7NO/c1-3-5(2)4(7)6-5/h3H,1H2,2H3,(H,6,7)/t5-/m0/s1",63.187630000000006,-0.17359000000000002,
11071,[C:1]([C@:2]12[N:3]([H:11])[C@@:4]1([H:12])[C:5]([H:13])([H:14])[C:6]2=[O:7])([H:8])([H:9])[H:10],[C:1]([O:7][C:6]1=[C:2]2[N:3]([H:11])[C@@:4]2([H:12])[C:5]1([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-5-3(6-5)2-4(5)7/h3,6H,2H2,1H3/t3-,5-/m0/s1","InChI=1S/C5H7NO/c1-7-4-2-3-5(4)6-3/h3,6H,2H2,1H3/t3-/m0/s1",96.77977,73.44605,ketoenol
11072,[C:1]([C@:2]12[N:3]([H:11])[C@@:4]1([H:12])[C:5]([H:13])([H:14])[C:6]2=[O:7])([H:8])([H:9])[H:10],[C:1]([C@:2]12[N:3]([H:11])[C@@:4]1([H:12])[C:5]([H:13])=[C:6]2[O:7][H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-5-3(6-5)2-4(5)7/h3,6H,2H2,1H3/t3-,5-/m0/s1","InChI=1S/C5H7NO/c1-5-3(6-5)2-4(5)7/h2-3,6-7H,1H3/t3-,5-/m0/s1",75.15535,26.06196,ketoenol
11073,[C:1]([C@:2]12[N:3]([H:11])[C@@:4]1([H:12])[C:5]([H:13])([H:14])[C:6]2=[O:7])([H:8])([H:9])[H:10],[C:1]([C@@:4]1([H:12])[N:3]([H:11])[C+:2]=[C:6]([O-:7])[C:5]1([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-5-3(6-5)2-4(5)7/h3,6H,2H2,1H3/t3-,5-/m0/s1","InChI=1S/C5H7NO/c1-4-2-5(7)3-6-4/h4,6H,2H2,1H3/t4-/m1/s1",93.20841,7.690860000000001,
11074,[C:1]([C@:2]12[N:3]([H:11])[C@@:4]1([H:12])[C:5]([H:13])([H:14])[C:6]2=[O:7])([H:8])([H:9])[H:10],[C:1](/[C:2](=[N:3]/[H:11])[C@@:4]1([H:12])[C:5]([H:13])([H:14])[C:6]1=[O:7])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-5-3(6-5)2-4(5)7/h3,6H,2H2,1H3/t3-,5-/m0/s1","InChI=1S/C5H7NO/c1-3(6)4-2-5(4)7/h4,6H,2H2,1H3/b6-3-/t4-/m1/s1",68.44641999999999,-2.5062900000000004,
11075,[C:1]([C@:2]12[N:3]([H:11])[C@@:4]1([H:12])[C:5]([H:13])([H:14])[C:6]2=[O:7])([H:8])([H:9])[H:10],[C:1]([C:2]1=[N:3][C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]1=[O:7])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-5-3(6-5)2-4(5)7/h3,6H,2H2,1H3/t3-,5-/m0/s1","InChI=1S/C5H7NO/c1-4-5(7)2-3-6-4/h2-3H2,1H3",60.07082,-35.990759999999995,
11076,[C:1]([C@:2]12[N:3]([H:11])[C@@:4]1([H:12])[C:5]([H:13])([H:14])[C:6]2=[O:7])([H:8])([H:9])[H:10],[C:1]([C@@:2]1(/[C:4](=[N:3]\[H:11])[H:12])[C:5]([H:13])([H:14])[C:6]1=[O:7])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-5-3(6-5)2-4(5)7/h3,6H,2H2,1H3/t3-,5-/m0/s1","InChI=1S/C5H7NO/c1-5(3-6)2-4(5)7/h3,6H,2H2,1H3/b6-3-/t5-/m0/s1",47.32604,0.61054,
11077,[C:1]([C@:2]12[N:3]([H:11])[C@@:4]1([H:12])[C:5]([H:13])([H:14])[C:6]2=[O:7])([H:8])([H:9])[H:10],[C:1]([C:6]([C:5]([C@@:4]1([H:12])[C:2][N:3]1[H:11])([H:13])[H:14])=[O:7])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-5-3(6-5)2-4(5)7/h3,6H,2H2,1H3/t3-,5-/m0/s1","InChI=1S/C5H7NO/c1-4(7)2-5-3-6-5/h5-6H,2H2,1H3/t5-/m0/s1",98.74645,41.27596,
11078,[C:1]([C@:2]12[N:3]([H:11])[C@@:4]1([H:12])[C:5]([H:13])([H:14])[C:6]2=[O:7])([H:8])([H:9])[H:10],[C:1]([C@:2]12[N+:3]([H:11])([H:12])[C-:4]1[C:5]([H:13])([H:14])[C:6]2=[O:7])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-5-3(6-5)2-4(5)7/h3,6H,2H2,1H3/t3-,5-/m0/s1","InChI=1S/C5H7NO/c1-5-3(6-5)2-4(5)7/h2,6H2,1H3/t5-/m0/s1",60.18695,50.10517,
11079,[C:1]([C@:2]12[N:3]([H:11])[C@@:4]1([H:12])[C:5]([H:13])([H:14])[C:6]2=[O:7])([H:8])([H:9])[H:10],[C:1]([C:6](=[C:2]1[N:3]([H:11])[C@:4]1([C+:5]([H:13])[H:14])[H:12])[O-:7])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-5-3(6-5)2-4(5)7/h3,6H,2H2,1H3/t3-,5-/m0/s1","InChI=1S/C5H7NO/c1-3-5(6-3)4(2)7/h3,6H,1H2,2H3/t3-/m0/s1",100.65162,40.68593,
11080,[C:1]([C@:2]12[N:3]([H:11])[C@@:4]1([H:12])[C:5]([H:13])([H:14])[C:6]2=[O:7])([H:8])([H:9])[H:10],[C:1]([C+:2]1[N:3]([H:11])[C:4]([H:12])([H:14])[C:5]([H:13])=[C:6]1[O-:7])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-5-3(6-5)2-4(5)7/h3,6H,2H2,1H3/t3-,5-/m0/s1","InChI=1S/C5H7NO/c1-4-5(7)2-3-6-4/h2,6H,3H2,1H3",86.89448,-10.64038,
11081,[C:1]([C@:2]12[N:3]([H:11])[C@@:4]1([H:12])[C:5]([H:13])([H:14])[C:6]2=[O:7])([H:8])([H:9])[H:10],[C:1]([C@:2]1([H:14])[N:3]([H:11])[C@:4]1([C:5](=[C:6]=[O:7])[H:13])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-5-3(6-5)2-4(5)7/h3,6H,2H2,1H3/t3-,5-/m0/s1","InChI=1S/C5H7NO/c1-4-5(6-4)2-3-7/h2,4-6H,1H3/t4-,5-/m0/s1",76.43323000000001,-0.51331,
11082,[C:1]([C@:2]12[N:3]([H:11])[C@@:4]1([H:12])[C:5]([H:13])([H:14])[C:6]2=[O:7])([H:8])([H:9])[H:10],[C:1]([C@:2]1([C:6](=[C+:5][H:13])[O-:7])[N:3]([H:11])[C:4]1([H:12])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-5-3(6-5)2-4(5)7/h3,6H,2H2,1H3/t3-,5-/m0/s1","InChI=1S/C5H7NO/c1-4(7)5(2)3-6-5/h1,6H,3H2,2H3/t5-/m0/s1",70.5825,65.64036,
11083,[C:1]([C@:2]12[N:3]([H:11])[C@@:4]1([H:12])[C:5]([H:13])([H:14])[C:6]2=[O:7])([H:8])([H:9])[H:10],[C:1](=[C:2]1[N+:3]([H:8])([H:11])[C-:4]([H:12])[C:5]([H:13])([H:14])[C:6]1=[O:7])([H:9])[H:10],"InChI=1S/C5H7NO/c1-5-3(6-5)2-4(5)7/h3,6H,2H2,1H3/t3-,5-/m0/s1","InChI=1S/C5H7NO/c1-4-5(7)2-3-6-4/h3H,1-2,6H2",72.27162,37.0574,
11084,[C:1]([C@:2]12[N:3]([H:11])[C@@:4]1([H:12])[C:5]([H:13])([H:14])[C:6]2=[O:7])([H:8])([H:9])[H:10],[C:1]([N+:3]1([H:11])[C:2]2=[C:6]([O-:7])[C:5]([H:13])([H:14])[C@@:4]21[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-5-3(6-5)2-4(5)7/h3,6H,2H2,1H3/t3-,5-/m0/s1","InChI=1S/C5H7NO/c1-6-3-2-4(7)5(3)6/h3,7H,2H2,1H3/t3-,6?/m0/s1",97.50675,59.40833000000001,
11085,[C:1]([C@:2]12[N:3]([H:11])[C@@:4]1([H:12])[C:5]([H:13])([H:14])[C:6]2=[O:7])([H:8])([H:9])[H:10],[C:1]([C@:2]1([C:6]2=[O+:7][C:5]2([H:13])[H:14])[N:3]([H:11])[C-:4]1[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-5-3(6-5)2-4(5)7/h3,6H,2H2,1H3/t3-,5-/m0/s1","InChI=1S/C5H7NO/c1-5(3-6-5)4-2-7-4/h3,6H,2H2,1H3/t5-/m0/s1",84.05655,79.0342,
11086,[O:1]([C:2]([C@@:3]1([H:11])[C@@:4]2([H:12])[C:5]([H:13])([H:14])[C@:6]1([H:15])[O:7]2)([H:9])[H:10])[H:8],[O:1]([C:2]([C:3]([C@:6]1([H:15])[C:5]([H:13])([H:14])[C-:4]=[O+:7]1)([H:11])[H:12])([H:9])[H:10])[H:8],"InChI=1S/C5H8O2/c6-2-3-4-1-5(3)7-4/h3-6H,1-2H2/t3-,4+,5-","InChI=1S/C5H8O2/c6-3-1-5-2-4-7-5/h5-6H,1-3H2/t5-/m1/s1",52.335370000000005,8.657760000000001,
11087,[O:1]([C:2]([C@@:3]1([H:11])[C@@:4]2([H:12])[C:5]([H:13])([H:14])[C@:6]1([H:15])[O:7]2)([H:9])[H:10])[H:8],[O:1]([C:2]([C@@:3]([C:4](=[O:7])[H:12])([C:6](=[C:5]([H:13])[H:14])[H:15])[H:11])([H:9])[H:10])[H:8],"InChI=1S/C5H8O2/c6-2-3-4-1-5(3)7-4/h3-6H,1-2H2/t3-,4+,5-","InChI=1S/C5H8O2/c1-2-5(3-6)4-7/h2-3,5,7H,1,4H2/t5-/m1/s1",30.7465,-48.50947,
11088,[O:1]([C:2]([C@@:3]1([H:11])[C@@:4]2([H:12])[C:5]([H:13])([H:14])[C@:6]1([H:15])[O:7]2)([H:9])[H:10])[H:8],[O:1]([C:2](/[C:3](=[C:4](\[C:5]([C:6](=[O:7])[H:15])([H:13])[H:14])[H:12])[H:11])([H:9])[H:10])[H:8],"InChI=1S/C5H8O2/c6-2-3-4-1-5(3)7-4/h3-6H,1-2H2/t3-,4+,5-","InChI=1S/C5H8O2/c6-4-2-1-3-5-7/h1-2,5-6H,3-4H2/b2-1-",30.492040000000003,-51.22156,
11089,[O:1]([C:2]([C@@:3]1([H:11])[C@@:4]2([H:12])[C:5]([H:13])([H:14])[C@:6]1([H:15])[O:7]2)([H:9])[H:10])[H:8],[O:1]([C:2]([C@@:3]1([H:11])[C-:4]=[O+:7][C@:6]1([C:5]([H:12])([H:13])[H:14])[H:15])([H:9])[H:10])[H:8],"InChI=1S/C5H8O2/c6-2-3-4-1-5(3)7-4/h3-6H,1-2H2/t3-,4+,5-","InChI=1S/C5H8O2/c1-4-5(2-6)3-7-4/h4-6H,2H2,1H3/t4-,5-/m0/s1",55.08793000000001,7.44868,
11090,[O:1]([C:2]([C@@:3]1([H:11])[C@@:4]2([H:12])[C:5]([H:13])([H:14])[C@:6]1([H:15])[O:7]2)([H:9])[H:10])[H:8],[O:1]([C:2]([C@:3]1([H:11])[C@@:6]([C:5]([C:4][H:12])([H:13])[H:14])([H:15])[O:7]1)([H:9])[H:10])[H:8],"InChI=1S/C5H8O2/c6-2-3-4-1-5(3)7-4/h3-6H,1-2H2/t3-,4+,5-","InChI=1S/C5H8O2/c1-2-4-5(3-6)7-4/h1,4-6H,2-3H2/t4-,5+/m0/s1",70.64293,54.95455,
11091,[O:1]([C:2]([C@@:3]1([H:11])[C@@:4]2([H:12])[C:5]([H:13])([H:14])[C@:6]1([H:15])[O:7]2)([H:9])[H:10])[H:8],[C:2]([H:9])[H:10].[O:1]([C@:3]1([H:11])[C@:4]2([H:12])[C:5]([H:13])([H:14])[C@@:6]1([H:15])[O:7]2)[H:8],"InChI=1S/C5H8O2/c6-2-3-4-1-5(3)7-4/h3-6H,1-2H2/t3-,4+,5-","InChI=1S/C4H6O2.CH2/c5-4-2-1-3(4)6-2;/h2-5H,1H2;1H2/t2-,3+,4+;",104.149,112.88847,
11092,[O:1]([C:2]([C@@:3]1([H:11])[C@@:4]2([H:12])[C:5]([H:13])([H:14])[C@:6]1([H:15])[O:7]2)([H:9])[H:10])[H:8],[O:1]([C:2]([C@@:3]([C:4][H:12])([C@:6]1([H:15])[C:5]([H:13])([H:14])[O:7]1)[H:11])([H:9])[H:10])[H:8],"InChI=1S/C5H8O2/c6-2-3-4-1-5(3)7-4/h3-6H,1-2H2/t3-,4+,5-","InChI=1S/C5H8O2/c1-4(2-6)5-3-7-5/h1,4-6H,2-3H2/t4-,5+/m1/s1",75.5562,57.285340000000005,
11093,[O:1]([C:2]([C@@:3]1([H:11])[C@@:4]2([H:12])[C:5]([H:13])([H:14])[C@:6]1([H:15])[O:7]2)([H:9])[H:10])[H:8],[O:1]([C:2]([C:3]1=[C:6]([H:15])[C:5]([H:13])([H:14])[C@:4]1([O:7][H:11])[H:12])([H:9])[H:10])[H:8],"InChI=1S/C5H8O2/c6-2-3-4-1-5(3)7-4/h3-6H,1-2H2/t3-,4+,5-","InChI=1S/C5H8O2/c6-3-4-1-2-5(4)7/h1,5-7H,2-3H2/t5-/m1/s1",60.50185,-36.26664,
11094,[O:1]([C:2]([C@@:3]1([H:11])[C@@:4]2([H:12])[C:5]([H:13])([H:14])[C@:6]1([H:15])[O:7]2)([H:9])[H:10])[H:8],[C:2](=[C:3]1[C@:4]2([H:12])[C:5]([H:13])([H:14])[C@@:6]1([H:15])[O:7]2)([H:9])[H:10].[O:1]([H:8])[H:11],"InChI=1S/C5H8O2/c6-2-3-4-1-5(3)7-4/h3-6H,1-2H2/t3-,4+,5-","InChI=1S/C5H6O.H2O/c1-3-4-2-5(3)6-4;/h4-5H,1-2H2;1H2/t4-,5+;",65.86579,13.05012,"1,3_Insertion_ROR"
11095,[O:1]([C:2]([C@@:3]1([H:11])[C@@:4]2([H:12])[C:5]([H:13])([H:14])[C@:6]1([H:15])[O:7]2)([H:9])[H:10])[H:8],[H:13][H:14].[O:1]([C:2]([C@@:3]1([H:11])[C@@:4]2([H:12])[C:5][C@:6]1([H:15])[O:7]2)([H:9])[H:10])[H:8],"InChI=1S/C5H8O2/c6-2-3-4-1-5(3)7-4/h3-6H,1-2H2/t3-,4+,5-","InChI=1S/C5H6O2.H2/c6-2-3-4-1-5(3)7-4;/h3-6H,2H2;1H/t3-,4+,5-;",86.88776999999999,82.07001,
11096,[O:1]([C:2]([C@@:3]1([H:11])[C@@:4]2([H:12])[C:5]([H:13])([H:14])[C@:6]1([H:15])[O:7]2)([H:9])[H:10])[H:8],[C:3]1[C@:4]2([H:12])[C:5]([H:13])([H:14])[C@@:6]1([H:15])[O:7]2.[O:1]([C:2]([H:9])([H:10])[H:11])[H:8],"InChI=1S/C5H8O2/c6-2-3-4-1-5(3)7-4/h3-6H,1-2H2/t3-,4+,5-","InChI=1S/C4H4O.CH4O/c1-3-2-4(1)5-3;1-2/h3-4H,1H2;2H,1H3/t3-,4+;",80.40099000000001,75.45619,
11097,[O:1]([C:2]([C@@:3]1([H:11])[C@@:4]2([H:12])[C:5]([H:13])([H:14])[C@:6]1([H:15])[O:7]2)([H:9])[H:10])[H:8],[C:2]1([H:9])([H:10])[C@@:3]2([H:11])[C@@:4]3([H:12])[C@:5]1([H:13])[C@:6]2([H:15])[O:7]3.[O:1]([H:8])[H:14],"InChI=1S/C5H8O2/c6-2-3-4-1-5(3)7-4/h3-6H,1-2H2/t3-,4+,5-","InChI=1S/C5H6O.H2O/c1-2-4-3(1)5(2)6-4;/h2-5H,1H2;1H2/t2-,3+,4-,5+;",80.16973,20.04372,
11098,[O:1]([C:2]([C@@:3]1([H:11])[C@@:4]2([H:12])[C:5]([H:13])([H:14])[C@:6]1([H:15])[O:7]2)([H:9])[H:10])[H:8],[O:1]([C:2]([C@@:3]1([H:11])[C@@:4]([O:7][H:13])([H:12])[C:5]([H:14])=[C:6]1[H:15])([H:9])[H:10])[H:8],"InChI=1S/C5H8O2/c6-2-3-4-1-5(3)7-4/h3-6H,1-2H2/t3-,4+,5-","InChI=1S/C5H8O2/c6-3-4-1-2-5(4)7/h1-2,4-7H,3H2/t4-,5+/m0/s1",63.406209999999994,-33.50642,
11099,[O:1]([C:2]([C@@:3]1([H:11])[C@@:4]2([H:12])[C:5]([H:13])([H:14])[C@:6]1([H:15])[O:7]2)([H:9])[H:10])[H:8],[H:8][H:11].[O:1]=[C:2]([C@@:3]1([H:9])[C@:4]2([H:12])[C:5]([H:13])([H:14])[C@@:6]1([H:15])[O:7]2)[H:10],"InChI=1S/C5H8O2/c6-2-3-4-1-5(3)7-4/h3-6H,1-2H2/t3-,4+,5-","InChI=1S/C5H6O2.H2/c6-2-3-4-1-5(3)7-4;/h2-5H,1H2;1H/t3-,4-,5+;",79.26938,16.289579999999997,
11100,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]([H:14])[C:5](=[O:6])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]=[C:5]([O:6][H:14])[O:7]1)([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-3-2-5-4(6)7-3/h3H,2H2,1H3,(H,5,6)/t3-/m0/s1","InChI=1S/C4H7NO2/c1-3-2-5-4(6)7-3/h3H,2H2,1H3,(H,5,6)/t3-/m0/s1",51.11442,13.61793,ketoenol
11101,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]([H:14])[C:5](=[O:6])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C@@:2](/[C:3](=[N:4]/[H:14])[H:13])([O:7][C:5](=[O:6])[H:12])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-3-2-5-4(6)7-3/h3H,2H2,1H3,(H,5,6)/t3-/m0/s1","InChI=1S/C4H7NO2/c1-4(2-5)7-3-6/h2-5H,1H3/b5-2+/t4-/m0/s1",90.30315999999999,26.39027,
11102,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]([H:14])[C:5](=[O:6])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C:2]([O:7][C:5]([N+:4](=[C-:3][H:13])[H:14])=[O:6])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-3-2-5-4(6)7-3/h3H,2H2,1H3,(H,5,6)/t3-/m0/s1","InChI=1S/C4H7NO2/c1-3-7-4(6)5-2/h2,5H,3H2,1H3",80.69909,69.54668000000001,
11103,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]([H:14])[C:5](=[O:6])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C:2](/[C:3](=[N:4]/[H:14])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10].[C:5](=[O:6])=[O:7],"InChI=1S/C4H7NO2/c1-3-2-5-4(6)7-3/h3H,2H2,1H3,(H,5,6)/t3-/m0/s1","InChI=1S/C3H7N.CO2/c1-2-3-4;2-1-3/h3-4H,2H2,1H3;/b4-3+;",60.680080000000004,-0.00812,
11104,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]([H:14])[C:5](=[O:6])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C-:3]=[N+:4]([H:14])[C:5](=[O:6])[O:7]1)([H:8])([H:9])[H:10].[H:12][H:13],"InChI=1S/C4H7NO2/c1-3-2-5-4(6)7-3/h3H,2H2,1H3,(H,5,6)/t3-/m0/s1","InChI=1S/C4H5NO2.H2/c1-3-2-5-4(6)7-3;/h3,5H,1H3;1H/t3-;/m0./s1",72.01759,59.00119,
11105,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]([H:14])[C:5](=[O:6])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]1[H:14])([H:8])([H:9])[H:10].[C:5](=[O:6])=[O:7],"InChI=1S/C4H7NO2/c1-3-2-5-4(6)7-3/h3H,2H2,1H3,(H,5,6)/t3-/m0/s1","InChI=1S/C3H7N.CO2/c1-3-2-4-3;2-1-3/h3-4H,2H2,1H3;/t3-;/m0./s1",59.73411,18.81394,
11106,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]([H:14])[C:5](=[O:6])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C-:2]1[C:3]([H:12])([H:13])[N:4]([H:14])[C:5]([O:6][H:11])=[O+:7]1)([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-3-2-5-4(6)7-3/h3H,2H2,1H3,(H,5,6)/t3-/m0/s1","InChI=1S/C4H7NO2/c1-3-2-5-4(6)7-3/h5-6H,2H2,1H3",110.9327,74.60153000000001,
11107,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]([H:14])[C:5](=[O:6])[O:7]1)([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:14].[C:2]([C:3]([N:4]=[C:5]=[O:6])([H:12])[H:13])(=[O:7])[H:11],"InChI=1S/C4H7NO2/c1-3-2-5-4(6)7-3/h3H,2H2,1H3,(H,5,6)/t3-/m0/s1","InChI=1S/C3H3NO2.CH4/c5-2-1-4-3-6;/h2H,1H2;1H4",81.89383000000001,18.27867,
11108,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]([H:14])[C:5](=[O:6])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C-:2]([O+:7]=[C:5]1[N:4]([H:14])[C:3]([H:12])([H:13])[O:6]1)[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-3-2-5-4(6)7-3/h3H,2H2,1H3,(H,5,6)/t3-/m0/s1","InChI=1S/C4H7NO2/c1-2-6-4-5-3-7-4/h2,5H,3H2,1H3",134.72247,110.58318999999999,
11109,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]([H:14])[C:5](=[O:6])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C-:3]([H:12])[N:4]([H:14])[C:5]([O:6][H:13])=[O+:7]1)([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-3-2-5-4(6)7-3/h3H,2H2,1H3,(H,5,6)/t3-/m0/s1","InChI=1S/C4H7NO2/c1-3-2-5-4(6)7-3/h2-3,5-6H,1H3/t3-/m0/s1",108.47707,71.55368,
11110,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]([H:14])[C:5](=[O:6])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C:5]([N:4]([C:3]([C:2](=[O:7])[H:11])([H:12])[H:13])[H:14])=[O:6])([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-3-2-5-4(6)7-3/h3H,2H2,1H3,(H,5,6)/t3-/m0/s1","InChI=1S/C4H7NO2/c1-4(7)5-2-3-6/h3H,2H2,1H3,(H,5,7)",86.41583,13.26291,
11111,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]([H:14])[C:5](=[O:6])[O:7]1)([H:8])([H:9])[H:10],[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]([H:12])([H:13])[N:4]([H:14])[C:5](=[O:7])[O:6]1,"InChI=1S/C4H7NO2/c1-3-2-5-4(6)7-3/h3H,2H2,1H3,(H,5,6)/t3-/m0/s1","InChI=1S/C4H7NO2/c6-4-5-2-1-3-7-4/h1-3H2,(H,5,6)",88.59519,4.12552,
11112,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]([H:14])[C:5](=[O:6])[O:7]1)([H:8])([H:9])[H:10],[C-:5]#[O+:6].[C:1]([C:2](=[O:7])[H:11])([H:8])([H:9])[H:10].[C:3](=[N:4][H:14])([H:12])[H:13],"InChI=1S/C4H7NO2/c1-3-2-5-4(6)7-3/h3H,2H2,1H3,(H,5,6)/t3-/m0/s1","InChI=1S/C2H4O.CH3N.CO/c1-2-3;2*1-2/h2H,1H3;2H,1H2;",75.1986,46.68083,
11113,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]([H:14])[C:5](=[O:6])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[O:7]1)([H:8])([H:9])[H:10].[N:4](=[C:5]=[O:6])[H:14],"InChI=1S/C4H7NO2/c1-3-2-5-4(6)7-3/h3H,2H2,1H3,(H,5,6)/t3-/m0/s1","InChI=1S/C3H6O.CHNO/c1-3-2-4-3;2-1-3/h3H,2H2,1H3;2H/t3-;/m0./s1",85.24469,38.176109999999994,
11114,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]([H:14])[C:5](=[O:6])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([N:4]=[C:5]=[O:6])([H:12])[H:13])=[O:7])([H:8])([H:9])[H:10].[H:11][H:14],"InChI=1S/C4H7NO2/c1-3-2-5-4(6)7-3/h3H,2H2,1H3,(H,5,6)/t3-/m0/s1","InChI=1S/C4H5NO2.H2/c1-4(7)2-5-3-6;/h2H2,1H3;1H",69.80376,24.0491,
11115,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]([H:14])[C:5](=[O:6])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])/[C:5](=[N:4]/[H:14])[O:6][O:7]1)([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-3-2-5-4(6)7-3/h3H,2H2,1H3,(H,5,6)/t3-/m0/s1","InChI=1S/C4H7NO2/c1-3-2-4(5)7-6-3/h3,5H,2H2,1H3/b5-4-/t3-/m0/s1",146.73313000000002,72.72636,
11116,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]([H:14])[C:5](=[O:6])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[O:6]/[C:5](=[N:4]\[H:14])[O:7]1)([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-3-2-5-4(6)7-3/h3H,2H2,1H3,(H,5,6)/t3-/m0/s1","InChI=1S/C4H7NO2/c1-3-2-6-4(5)7-3/h3,5H,2H2,1H3/b5-4+/t3-/m0/s1",110.72567,19.32345,ketoenol
11117,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]([H:14])[C:5](=[O:6])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C@@:2]([C:3]([N:4]=[C:5]=[O:6])([H:12])[H:13])([O:7][H:14])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-3-2-5-4(6)7-3/h3H,2H2,1H3,(H,5,6)/t3-/m0/s1","InChI=1S/C4H7NO2/c1-4(7)2-5-3-6/h4,7H,2H2,1H3/t4-/m0/s1",68.51434,9.61502,
11118,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]([H:14])[C:5](=[O:6])[O:7]1)([H:8])([H:9])[H:10],[C:1](=[C:2]([C:3]([N:4]([H:9])[H:14])([H:12])[H:13])[H:11])([H:8])[H:10].[C:5](=[O:6])=[O:7],"InChI=1S/C4H7NO2/c1-3-2-5-4(6)7-3/h3H,2H2,1H3,(H,5,6)/t3-/m0/s1","InChI=1S/C3H7N.CO2/c1-2-3-4;2-1-3/h2H,1,3-4H2;",67.93834,10.56007,
11119,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]([H:14])[C:5](=[O:6])[O:7]1)([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:3](/[N:4]([H:13])[H:14])[H:12])[H:11])([H:8])([H:9])[H:10].[C:5](=[O:6])=[O:7],"InChI=1S/C4H7NO2/c1-3-2-5-4(6)7-3/h3H,2H2,1H3,(H,5,6)/t3-/m0/s1","InChI=1S/C3H7N.CO2/c1-2-3-4;2-1-3/h2-3H,4H2,1H3;/b3-2+;",84.21923000000001,2.48535,
11120,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]([H:14])[C:5](=[O:6])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C:2]1=[O+:7][C-:5]([O-:6])[N+:4]([H:11])([H:14])[C:3]1([H:12])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-3-2-5-4(6)7-3/h3H,2H2,1H3,(H,5,6)/t3-/m0/s1","InChI=1S/C4H7NO2/c1-3-2-5-4(6)7-3/h2,5H2,1H3",78.95619,77.802,
11121,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]([H:14])[C:5](=[O:6])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C:2][C:3]([N:4]([C:5](=[O:6])[O:7][H:11])[H:14])([H:12])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-3-2-5-4(6)7-3/h3H,2H2,1H3,(H,5,6)/t3-/m0/s1","InChI=1S/C4H7NO2/c1-2-3-5-4(6)7/h5H,3H2,1H3,(H,6,7)",86.39506999999999,84.76665,
11122,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]([H:14])[C:5](=[O:6])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C:3]([C:2](=[O:7])[H:11])([H:12])[H:13])([H:8])([H:9])[H:10].[N:4](=[C:5]=[O:6])[H:14],"InChI=1S/C4H7NO2/c1-3-2-5-4(6)7-3/h3H,2H2,1H3,(H,5,6)/t3-/m0/s1","InChI=1S/C3H6O.CHNO/c1-2-3-4;2-1-3/h3H,2H2,1H3;2H",83.72931,16.25284,
11123,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]([H:14])[C:5](=[O:6])[O:7]1)([H:8])([H:9])[H:10],[C:1]1([H:8])([H:10])[C@@:2]2([H:11])[C@:3]1([H:12])[N:4]([H:14])[C:5](=[O:6])[O:7]2.[H:9][H:13],"InChI=1S/C4H7NO2/c1-3-2-5-4(6)7-3/h3H,2H2,1H3,(H,5,6)/t3-/m0/s1","InChI=1S/C4H5NO2.H2/c6-4-5-2-1-3(2)7-4;/h2-3H,1H2,(H,5,6);1H/t2-,3+;/m1./s1",101.37898,41.65978,
11124,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]([H:14])[C:5](=[O:6])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])[N:4]([H:14])[C@@:5]2([O:6][H:13])[O:7]1)([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-3-2-5-4(6)7-3/h3H,2H2,1H3,(H,5,6)/t3-/m0/s1","InChI=1S/C4H7NO2/c1-2-3-4(6,5-3)7-2/h2-3,5-6H,1H3/t2-,3+,4-/m0/s1",124.93071,66.62901,
11125,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]([H:14])[C:5](=[O:6])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])=[N:4][C:5](=[O:6])[O:7]1)([H:8])([H:9])[H:10].[H:13][H:14],"InChI=1S/C4H7NO2/c1-3-2-5-4(6)7-3/h3H,2H2,1H3,(H,5,6)/t3-/m0/s1","InChI=1S/C4H5NO2.H2/c1-3-2-5-4(6)7-3;/h2-3H,1H3;1H/t3-;/m0./s1",95.90502,28.98613,
11126,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]([H:14])[C:5](=[O:6])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([O:7][C:5](=[N:4])[O:6])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-3-2-5-4(6)7-3/h3H,2H2,1H3,(H,5,6)/t3-/m0/s1","InChI=1S/C4H7NO2/c1-3(2)7-4(5)6/h3H,1-2H3",80.22249000000001,79.21874,
11127,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]([H:14])[C:5](=[O:6])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])=[O:7])([H:8])([H:9])[H:10].[N:4](=[C:5]=[O:6])[H:14],"InChI=1S/C4H7NO2/c1-3-2-5-4(6)7-3/h3H,2H2,1H3,(H,5,6)/t3-/m0/s1",InChI=1S/C3H6O.CHNO/c1-3(2)4;2-1-3/h1-2H3;2H,76.72136,8.57771,
11128,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]([H:14])[C:5](=[O:6])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C:3]([N:4]([C:5](=[O:6])[O+:7]=[C-:2][H:11])[H:14])([H:12])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-3-2-5-4(6)7-3/h3H,2H2,1H3,(H,5,6)/t3-/m0/s1","InChI=1S/C4H7NO2/c1-3-5-4(6)7-2/h2H,3H2,1H3,(H,5,6)",126.61865,72.85389,
11129,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C@@:4]1([H:15])[C:5]([H:16])([H:17])[C@:6]1([O:7][H:19])[H:18])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C:4](/[C:5](=[C:6](/[O:7][H:19])[H:18])[H:17])([H:15])[H:16])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-4(2)5-3-6(5)7/h4-7H,3H2,1-2H3/t5-,6-/m1/s1","InChI=1S/C6H12O/c1-6(2)4-3-5-7/h3,5-7H,4H2,1-2H3/b5-3+",66.89625,-9.77225,
11130,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C@@:4]1([H:15])[C:5]([H:16])([H:17])[C@:6]1([O:7][H:19])[H:18])[H:11])([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:4]([C:5](=[C:6](\[O:7][H:19])[H:18])/[H:16])\[H:15])[H:11])([H:8])([H:9])[H:10].[C:3]([H:12])([H:13])([H:14])[H:17],"InChI=1S/C6H12O/c1-4(2)5-3-6(5)7/h4-7H,3H2,1-2H3/t5-,6-/m1/s1","InChI=1S/C5H8O.CH4/c1-2-3-4-5-6;/h2-6H,1H3;1H4/b3-2+,5-4-;",91.05787,1.47456,
11131,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C@@:4]1([H:15])[C:5]([H:16])([H:17])[C@:6]1([O:7][H:19])[H:18])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([H:11])[H:17])([H:8])([H:9])[H:10].[C:4]1([H:15])=[C:5]([H:16])[C:6]1([O:7][H:19])[H:18],"InChI=1S/C6H12O/c1-4(2)5-3-6(5)7/h4-7H,3H2,1-2H3/t5-,6-/m1/s1","InChI=1S/C3H4O.C3H8/c4-3-1-2-3;1-3-2/h1-4H;3H2,1-2H3",109.04096000000001,42.53416,
11132,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C@@:4]1([H:15])[C:5]([H:16])([H:17])[C@:6]1([O:7][H:19])[H:18])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C:4][C@@:6]([C:5]([H:15])([H:16])[H:17])([O:7][H:19])[H:18])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-4(2)5-3-6(5)7/h4-7H,3H2,1-2H3/t5-,6-/m1/s1","InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5-7H,1-3H3/t6-/m1/s1",67.70015,65.09459,
11133,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C@@:4]1([H:15])[C:5]([H:16])([H:17])[C@:6]1([O:7][H:19])[H:18])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C:4]([C:5]([C:6][O:7][H:19])([H:16])[H:17])([H:15])[H:18])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-4(2)5-3-6(5)7/h4-7H,3H2,1-2H3/t5-,6-/m1/s1","InChI=1S/C6H12O/c1-6(2)4-3-5-7/h6-7H,3-4H2,1-2H3",50.3271,38.81795,
11134,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C@@:4]1([H:15])[C:5]([H:16])([H:17])[C@:6]1([O:7][H:19])[H:18])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C@@:4]([C:5]([H:11])([H:16])[H:17])([C:6](=[O:7])[H:18])[H:15])[H:19])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-4(2)5-3-6(5)7/h4-7H,3H2,1-2H3/t5-,6-/m1/s1","InChI=1S/C6H12O/c1-5(2)6(3)4-7/h4-6H,1-3H3/t6-/m0/s1",92.62215,-17.07893,
11135,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C@@:4]1([H:15])[C:5]([H:16])([H:17])[C@:6]1([O:7][H:19])[H:18])[H:11])([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:4](/[C:3]([H:12])([H:13])[H:14])[H:15])[H:11])([H:8])([H:9])[H:10].[C:5](=[C:6]([O:7][H:19])[H:18])([H:16])[H:17],"InChI=1S/C6H12O/c1-4(2)5-3-6(5)7/h4-7H,3H2,1-2H3/t5-,6-/m1/s1","InChI=1S/C4H8.C2H4O/c1-3-4-2;1-2-3/h3-4H,1-2H3;2-3H,1H2/b4-3+;",89.99634,9.82972,
11136,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C@@:4]1([H:15])[C:5]([H:16])([H:17])[C@:6]1([O:7][H:19])[H:18])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C@@:4]([C:5]([O:7][H:19])([H:16])[H:17])([C:6][H:18])[H:15])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-4(2)5-3-6(5)7/h4-7H,3H2,1-2H3/t5-,6-/m1/s1","InChI=1S/C6H12O/c1-5(2)6(3)4-7/h3,5-7H,4H2,1-2H3/t6-/m1/s1",86.00768000000001,79.43815,
11137,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C@@:4]1([H:15])[C:5]([H:16])([H:17])[C@:6]1([O:7][H:19])[H:18])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C@@:4]1([H:15])[C:5]([H:16])([H:17])[C:6]1=[O:7])[H:11])([H:8])([H:9])[H:10].[H:18][H:19],"InChI=1S/C6H12O/c1-4(2)5-3-6(5)7/h4-7H,3H2,1-2H3/t5-,6-/m1/s1","InChI=1S/C6H10O.H2/c1-4(2)5-3-6(5)7;/h4-5H,3H2,1-2H3;1H/t5-;/m1./s1",84.21635,27.041940000000004,
11138,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C@@:4]1([H:15])[C:5]([H:16])([H:17])[C@:6]1([O:7][H:19])[H:18])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C:4][C:5]([C:6]([O:7][H:19])([H:15])[H:18])([H:16])[H:17])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-4(2)5-3-6(5)7/h4-7H,3H2,1-2H3/t5-,6-/m1/s1","InChI=1S/C6H12O/c1-6(2)4-3-5-7/h6-7H,3,5H2,1-2H3",67.16277,69.49662,
11139,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C@@:4]1([H:15])[C:5]([H:16])([H:17])[C@:6]1([O:7][H:19])[H:18])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:6]([C@@:4]1([H:15])[C@@:2]([C:3]([H:12])([H:13])[H:14])([H:11])[C:5]1([H:16])[H:17])([O:7][H:19])[H:18])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-4(2)5-3-6(5)7/h4-7H,3H2,1-2H3/t5-,6-/m1/s1","InChI=1S/C6H12O/c1-4-3-6(4)5(2)7/h4-7H,3H2,1-2H3/t4-,5+,6-/m1/s1",101.96101,-1.7011900000000002,
11140,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C@@:4]1([H:15])[C:5]([H:16])([H:17])[C@:6]1([O:7][H:19])[H:18])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([O:7][H:19])[H:11])([H:8])([H:9])[H:10].[C:4]1([H:15])=[C:6]([H:18])[C:5]1([H:16])[H:17],"InChI=1S/C6H12O/c1-4(2)5-3-6(5)7/h4-7H,3H2,1-2H3/t5-,6-/m1/s1","InChI=1S/C3H8O.C3H4/c1-3(2)4;1-2-3-1/h3-4H,1-2H3;1-2H,3H2",97.35507,45.6471,
11141,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C@@:4]1([H:15])[C:5]([H:16])([H:17])[C@:6]1([O:7][H:19])[H:18])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C:4]1([H:15])[C:5]([H:16])=[C:6]1[H:18])[H:11])([H:8])([H:9])[H:10].[O:7]([H:17])[H:19],"InChI=1S/C6H12O/c1-4(2)5-3-6(5)7/h4-7H,3H2,1-2H3/t5-,6-/m1/s1","InChI=1S/C6H10.H2O/c1-5(2)6-3-4-6;/h3-6H,1-2H3;1H2",72.03833,36.25742,
11142,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C@@:4]1([H:15])[C:5]([H:16])([H:17])[C@:6]1([O:7][H:19])[H:18])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])=[C:4](/[C:5](=[C:6](\[O:7][H:19])[H:18])[H:16])[H:15])([H:8])([H:9])[H:10].[H:11][H:17],"InChI=1S/C6H12O/c1-4(2)5-3-6(5)7/h4-7H,3H2,1-2H3/t5-,6-/m1/s1","InChI=1S/C6H10O.H2/c1-6(2)4-3-5-7;/h3-5,7H,1-2H3;1H/b5-3-;",90.94456,13.80357,
11143,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C@@:4]1([H:15])[C:5]([H:16])([H:17])[C@:6]1([O:7][H:19])[H:18])[H:11])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:19].[C:2](\[C:3]([H:12])([H:13])[H:14])(=[C:4](/[C:5]([C:6](=[O:7])[H:18])([H:16])[H:17])[H:15])[H:11],"InChI=1S/C6H12O/c1-4(2)5-3-6(5)7/h4-7H,3H2,1-2H3/t5-,6-/m1/s1","InChI=1S/C5H8O.CH4/c1-2-3-4-5-6;/h2-3,5H,4H2,1H3;1H4/b3-2+;",51.644729999999996,-0.9627899999999999,
11144,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C@@:4]1([H:15])[C:5]([H:16])([H:17])[C@:6]1([O:7][H:19])[H:18])[H:11])([H:8])([H:9])[H:10],[C:1]([C@:2]([C-:3]([H:12])[H:14])([C:4]([C:5]([C+:6]([O:7][H:19])[H:18])([H:16])[H:17])([H:13])[H:15])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-4(2)5-3-6(5)7/h4-7H,3H2,1-2H3/t5-,6-/m1/s1","InChI=1S/C6H12O/c1-6(2)4-3-5-7/h5-7H,1,3-4H2,2H3/t6-/m0/s1",78.17631999999999,67.79648,
11145,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C@@:4]1([H:15])[C:5]([H:16])([H:17])[C@:6]1([O:7][H:19])[H:18])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C@@:4]1([H:15])[C:5]([H:16])([H:17])[C:6]1)[H:11])([H:8])([H:9])[H:10].[O:7]([H:18])[H:19],"InChI=1S/C6H12O/c1-4(2)5-3-6(5)7/h4-7H,3H2,1-2H3/t5-,6-/m1/s1","InChI=1S/C6H10.H2O/c1-5(2)6-3-4-6;/h5-6H,3H2,1-2H3;1H2/t6-;/m0./s1",72.88661,86.55678,
11146,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C@@:4]1([H:15])[C:5]([H:16])([H:17])[C@:6]1([O:7][H:19])[H:18])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])=[C:4]([C:5]([C:6](=[O:7])[H:18])([H:16])[H:17])[H:15])([H:8])([H:9])[H:10].[H:11][H:19],"InChI=1S/C6H12O/c1-4(2)5-3-6(5)7/h4-7H,3H2,1-2H3/t5-,6-/m1/s1","InChI=1S/C6H10O.H2/c1-6(2)4-3-5-7;/h4-5H,3H2,1-2H3;1H",37.74972,9.26753,
11147,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C@@:4]1([H:15])[C:5]([H:16])([H:17])[C@:6]1([O:7][H:19])[H:18])[H:11])([H:8])([H:9])[H:10],[C:1](=[C:2]([C:3]([H:12])([H:13])[H:14])[H:11])([H:9])[H:10].[C:4]1([H:15])=[C:5]([H:16])[C:6]1([O:7][H:19])[H:18].[H:8][H:17],"InChI=1S/C6H12O/c1-4(2)5-3-6(5)7/h4-7H,3H2,1-2H3/t5-,6-/m1/s1","InChI=1S/C3H4O.C3H6.H2/c4-3-1-2-3;1-3-2;/h1-4H;3H,1H2,2H3;1H",91.1199,71.54833,
11148,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C@@:4]1([H:15])[C:5]([H:16])([H:17])[C@:6]1([O:7][H:19])[H:18])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]1([C:3]([H:12])([H:13])[H:14])[C@@:4]2([H:15])[C:5]([H:16])([H:17])[C@@:6]12[H:18])([H:8])([H:9])[H:10].[O:7]([H:11])[H:19],"InChI=1S/C6H12O/c1-4(2)5-3-6(5)7/h4-7H,3H2,1-2H3/t5-,6-/m1/s1","InChI=1S/C6H10.H2O/c1-6(2)4-3-5(4)6;/h4-5H,3H2,1-2H3;1H2/t4-,5+;",91.73889,27.3034,
11149,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C@@:4]1([H:15])[C:5]([H:16])([H:17])[C@:6]1([O:7][H:19])[H:18])[H:11])([H:8])([H:9])[H:10],[C:1]1([H:9])([H:10])[C@@:2]([C:3]([H:12])([H:13])[H:14])([H:11])[C@:4]1([C:5]([C:6]([O:7][H:19])([H:8])[H:18])([H:16])[H:17])[H:15],"InChI=1S/C6H12O/c1-4(2)5-3-6(5)7/h4-7H,3H2,1-2H3/t5-,6-/m1/s1","InChI=1S/C6H12O/c1-5-4-6(5)2-3-7/h5-7H,2-4H2,1H3/t5-,6-/m0/s1",84.65198000000001,3.87131,
11150,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C@@:4]1([H:15])[C:5]([H:16])([H:17])[C@:6]1([O:7][H:19])[H:18])[H:11])([H:8])([H:9])[H:10],[C:1]([C@:2]1([H:11])[C@:4]([C:5]([C:3]([H:12])([H:13])[H:14])([H:16])[H:17])([H:15])[C@:6]1([O:7][H:19])[H:18])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-4(2)5-3-6(5)7/h4-7H,3H2,1-2H3/t5-,6-/m1/s1","InChI=1S/C6H12O/c1-3-5-4(2)6(5)7/h4-7H,3H2,1-2H3/t4-,5-,6+/m1/s1",103.32755,-0.00207,
11151,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C@@:4]1([H:15])[C:5]([H:16])([H:17])[C@:6]1([O:7][H:19])[H:18])[H:11])([H:8])([H:9])[H:10],[C:1]([C:3]([H:12])([H:13])[H:14])([H:8])([H:9])[H:10].[C:2]([C@@:4]1([H:15])[C:5]([H:16])([H:17])[C@:6]1([O:7][H:19])[H:18])[H:11],"InChI=1S/C6H12O/c1-4(2)5-3-6(5)7/h4-7H,3H2,1-2H3/t5-,6-/m1/s1","InChI=1S/C4H6O.C2H6/c1-3-2-4(3)5;1-2/h1,3-5H,2H2;1-2H3/t3-,4+;/m0./s1",135.80605,92.17758,
11152,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C@@:4]1([H:15])[C:5]([H:16])([H:17])[C@:6]1([O:7][H:19])[H:18])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]([H:12])[H:14])[H:11])([H:8])([H:9])[H:10].[C:4](\[C:5]([H:13])([H:16])[H:17])(=[C:6](\[O:7][H:19])[H:18])[H:15],"InChI=1S/C6H12O/c1-4(2)5-3-6(5)7/h4-7H,3H2,1-2H3/t5-,6-/m1/s1","InChI=1S/C3H6O.C3H6/c1-2-3-4;1-3-2/h2-4H,1H3;3H,1H2,2H3/b3-2-;",59.951409999999996,8.61275,
11153,[C:1]([O:2][c:3]1[c:4]([H:11])[n:5]([H:12])[c:6]([H:13])[n:7]1)([H:8])([H:9])[H:10],[C:1]([O+:2]=[C-:3]/[C:4](=[N:5]/[H:12])[H:11])([H:8])([H:9])[H:10].[C:6](#[N:7])[H:13],"InChI=1S/C4H6N2O/c1-7-4-2-5-3-6-4/h2-3H,1H3,(H,5,6)","InChI=1S/C3H5NO.CHN/c1-5-3-2-4;1-2/h2,4H,1H3;1H/b4-2+;",86.01938,92.43245,
11154,[C:1]([O:2][c:3]1[c:4]([H:11])[n:5]([H:12])[c:6]([H:13])[n:7]1)([H:8])([H:9])[H:10],[C:1]([O:2][C:3]1=[N:7][C:6]([H:12])([H:13])[N:5]=[C:4]1[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-7-4-2-5-3-6-4/h2-3H,1H3,(H,5,6)","InChI=1S/C4H6N2O/c1-7-4-2-5-3-6-4/h2H,3H2,1H3",40.19388,7.55611,
11155,[C:1]([O:2][c:3]1[c:4]([H:11])[n:5]([H:12])[c:6]([H:13])[n:7]1)([H:8])([H:9])[H:10],[C-:1]([O+:2]=[C:3]1[C:4]([H:10])([H:11])[N:5]([H:12])[C:6]([H:13])=[N:7]1)([H:8])[H:9],"InChI=1S/C4H6N2O/c1-7-4-2-5-3-6-4/h2-3H,1H3,(H,5,6)","InChI=1S/C4H6N2O/c1-7-4-2-5-3-6-4/h3H,1-2H2,(H,5,6)",56.60634,56.38506999999999,
11156,[C:1]([O:2][c:3]1[c:4]([H:11])[n:5]([H:12])[c:6]([H:13])[n:7]1)([H:8])([H:9])[H:10],[C:1]([O:2][C@:3]1([H:11])[C-:4]=[N+:5]([H:12])[C:6]([H:13])=[N:7]1)([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-7-4-2-5-3-6-4/h2-3H,1H3,(H,5,6)","InChI=1S/C4H6N2O/c1-7-4-2-5-3-6-4/h3-5H,1H3/t4-/m1/s1",64.66378,60.44906999999999,Singlet_Carbene_Intra_Disproportionation
11157,[C:1]([O:2][c:3]1[c:4]([H:11])[n:5]([H:12])[c:6]([H:13])[n:7]1)([H:8])([H:9])[H:10],[C:1]([O:2][C:3]1=[C:4]([H:11])[N:5]([H:12])[C:6][N:7]1[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-7-4-2-5-3-6-4/h2-3H,1H3,(H,5,6)","InChI=1S/C4H6N2O/c1-7-4-2-5-3-6-4/h2,5-6H,1H3",68.95798,36.00762,
11158,[C:1]([O:2][c:3]1[c:4]([H:11])[n:5]([H:12])[c:6]([H:13])[n:7]1)([H:8])([H:9])[H:10],[C:1]([O:2][C:4](=[C:3]=[N:7][C:6](=[N:5][H:12])[H:13])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-7-4-2-5-3-6-4/h2-3H,1H3,(H,5,6)","InChI=1S/C4H6N2O/c1-7-3-2-6-4-5/h3-5H,1H3",92.26378000000001,45.29801,
11159,[C:1]([O:2][c:3]1[c:4]([H:11])[n:5]([H:12])[c:6]([H:13])[n:7]1)([H:8])([H:9])[H:10],[C:1]([O:2][C:3]1=[C:4]([H:11])[N:7]1/[C:6](=[N:5]/[H:12])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-7-4-2-5-3-6-4/h2-3H,1H3,(H,5,6)","InChI=1S/C4H6N2O/c1-7-4-2-6(4)3-5/h2-3,5H,1H3/b5-3+",88.64877,87.23921,
11160,[C:1]([O:2][c:3]1[c:4]([H:11])[n:5]([H:12])[c:6]([H:13])[n:7]1)([H:8])([H:9])[H:10],[C:1]([C@@:4]1([H:11])[C:3](=[O:2])[N:7]=[C:6]([H:13])[N:5]1[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-7-4-2-5-3-6-4/h2-3H,1H3,(H,5,6)","InChI=1S/C4H6N2O/c1-3-4(7)6-2-5-3/h2-3H,1H3,(H,5,6,7)/t3-/m0/s1",66.59189,-14.265820000000001,ketoenol
11161,[C:1]([O:2][c:3]1[c:4]([H:11])[n:5]([H:12])[c:6]([H:13])[n:7]1)([H:8])([H:9])[H:10],[C:1]([O:2][C:3]#[C:4][H:11])([H:8])([H:9])[H:10].[N:5]1([H:12])[C:6]([H:13])=[N:7]1,"InChI=1S/C4H6N2O/c1-7-4-2-5-3-6-4/h2-3H,1H3,(H,5,6)","InChI=1S/C3H4O.CH2N2/c1-3-4-2;1-2-3-1/h1H,2H3;1H,(H,2,3)",145.93153999999998,130.43174,
11162,[C:1]([O:2][c:3]1[c:4]([H:11])[n:5]([H:12])[c:6]([H:13])[n:7]1)([H:8])([H:9])[H:10],[C:1]([O:2][C:3](/[C:4](=[N:5]/[H:12])[H:11])=[N+:7]=[C-:6][H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-7-4-2-5-3-6-4/h2-3H,1H3,(H,5,6)","InChI=1S/C4H6N2O/c1-6-4(3-5)7-2/h1,3,5H,2H3/b5-3+",56.650490000000005,57.96666,
11163,[C:1]([O:2][c:3]1[c:4]([H:11])[n:5]([H:12])[c:6]([H:13])[n:7]1)([H:8])([H:9])[H:10],[C:1]([n+:7]1[c:3]([O-:2])[c:4]([H:11])[n:5]([H:12])[c:6]1[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-7-4-2-5-3-6-4/h2-3H,1H3,(H,5,6)","InChI=1S/C4H6N2O/c1-6-3-5-2-4(6)7/h2-3,7H,1H3",55.44266999999999,-0.52999,
11165,[C:1]([O:2][c:3]1[c:4]([H:11])[n:5]([H:12])[c:6]([H:13])[n:7]1)([H:8])([H:9])[H:10],[C-:1]([O:2][C:3]1=[C:4]=[N+:5]([H:12])[C:6]([H:13])=[N:7]1)([H:8])[H:9].[H:10][H:11],"InChI=1S/C4H6N2O/c1-7-4-2-5-3-6-4/h2-3H,1H3,(H,5,6)","InChI=1S/C4H3N2O.H2/c1-7-4-2-5-3-6-4;/h3H,1H2;1H/q-1;/p+1",91.8083,96.53925,
11166,[C:1]([O:2][c:3]1[c:4]([H:11])[n:5]([H:12])[c:6]([H:13])[n:7]1)([H:8])([H:9])[H:10],[C:1]([O:2][C:3]1=[N:7][C:6]([H:13])=[N:5][C:4]1([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-7-4-2-5-3-6-4/h2-3H,1H3,(H,5,6)","InChI=1S/C4H6N2O/c1-7-4-2-5-3-6-4/h3H,2H2,1H3",42.54462,6.054790000000001,
11167,[C:1]([O:2][c:3]1[c:4]([H:11])[n:5]([H:12])[c:6]([H:13])[n:7]1)([H:8])([H:9])[H:10],[C:1]([O:2][c:3]1[c-:4][n:5]([H:12])[c:6]#[n+:7]1)([H:8])([H:9])[H:10].[H:11][H:13],"InChI=1S/C4H6N2O/c1-7-4-2-5-3-6-4/h2-3H,1H3,(H,5,6)",InChI=1S/C4H3N2O.H2/c1-7-4-2-5-3-6-4;/h1H3;1H/q-1;/p+1,133.58246,124.53629,
11168,[C:1]([c:2]1[c:3]([O:4][H:11])[n:5][c:6]([H:12])[o:7]1)([H:8])([H:9])[H:10],[C:1]([n:5]1[c:3]([O:4][H:11])[c-:2][o+:7][c:6]1[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H5NO2/c1-3-4(6)5-2-7-3/h2,6H,1H3","InChI=1S/C4H5NO2/c1-5-3-7-2-4(5)6/h3,6H,1H3",117.41488999999999,64.17303000000001,
11169,[C:1]([c:2]1[c:3]([O:4][H:11])[n:5][c:6]([H:12])[o:7]1)([H:8])([H:9])[H:10],[C:1]([C@@:3]1([O:4][H:11])[C-:2]=[O+:7][C:6]([H:12])=[N:5]1)([H:8])([H:9])[H:10],"InChI=1S/C4H5NO2/c1-3-4(6)5-2-7-3/h2,6H,1H3","InChI=1S/C4H5NO2/c1-4(6)2-7-3-5-4/h3,6H,1H3/t4-/m1/s1",76.89414000000001,67.54432,
11170,[C:1]([c:2]1[c:3]([O:4][H:11])[n:5][c:6]([H:12])[o:7]1)([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]=[N:5][C:6](=[O:7])[H:12])[O:4][H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H5NO2/c1-3-4(6)5-2-7-3/h2,6H,1H3","InChI=1S/C4H5NO2/c1-4(7)2-5-3-6/h3,7H,1H3",74.25901999999999,32.51354,
11171,[C:1]([c:2]1[c:3]([O:4][H:11])[n:5][c:6]([H:12])[o:7]1)([H:8])([H:9])[H:10],[C:1](=[C:2](/[C:3]([O:4][H:11])=[N:5]\[C:6](=[O:7])[H:12])[H:10])([H:8])[H:9],"InChI=1S/C4H5NO2/c1-3-4(6)5-2-7-3/h2,6H,1H3","InChI=1S/C4H5NO2/c1-2-4(7)5-3-6/h2-3H,1H2,(H,5,6,7)",70.08097,5.66065,
11172,[C:1]([c:2]1[c:3]([O:4][H:11])[n:5][c:6]([H:12])[o:7]1)([H:8])([H:9])[H:10],[C:1]([C:2](=[C+:3][O:4][H:11])[O-:7])([H:8])([H:9])[H:10].[N:5]#[C:6][H:12],"InChI=1S/C4H5NO2/c1-3-4(6)5-2-7-3/h2,6H,1H3","InChI=1S/C3H4O2.CHN/c1-3(5)2-4;1-2/h1H3,(H-,4,5);1H",71.9557,77.95113,
11173,[C:1]([c:2]1[c:3]([O:4][H:11])[n:5][c:6]([H:12])[o:7]1)([H:8])([H:9])[H:10],[C:1]([c:2]1[c:3]([O-:4])[n:5]([H:11])[c:6]([H:12])[o+:7]1)([H:8])([H:9])[H:10],"InChI=1S/C4H5NO2/c1-3-4(6)5-2-7-3/h2,6H,1H3","InChI=1S/C4H5NO2/c1-3-4(6)5-2-7-3/h2,5H,1H3",43.33699,14.95568,
11174,[C:1]([c:2]1[c:3]([O:4][H:11])[n:5][c:6]([H:12])[o:7]1)([H:8])([H:9])[H:10],[C:1](=[C:2]=[C:3]([O:4][H:11])/[N:5]=[C:6](\[O:7][H:10])[H:12])([H:8])[H:9],"InChI=1S/C4H5NO2/c1-3-4(6)5-2-7-3/h2,6H,1H3","InChI=1S/C4H5NO2/c1-2-4(7)5-3-6/h3,7H,1H2,(H,5,6)",63.42276,30.33845,
11175,[C:1]([c:2]1[c:3]([O:4][H:11])[n:5][c:6]([H:12])[o:7]1)([H:8])([H:9])[H:10],[C:1]([C+:2]=[C:3]([O:4][H:11])[N:5]=[C:6]([O-:7])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H5NO2/c1-3-4(6)5-2-7-3/h2,6H,1H3","InChI=1S/C4H5NO2/c1-2-4(7)5-3-6/h3H,1H3,(H-,5,6,7)",73.41104,69.16206,
11176,[C:1]([c:2]1[c:3]([O:4][H:11])[n:5][c:6]([H:12])[o:7]1)([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]([O:4][H:11])[N+:5]#[C:6][H:12])[O-:7])([H:8])([H:9])[H:10],"InChI=1S/C4H5NO2/c1-3-4(6)5-2-7-3/h2,6H,1H3","InChI=1S/C4H5NO2/c1-3(6)4(7)5-2/h2H,1H3,(H-,6,7)",41.35835,41.96203,
11177,[C:1]([c:2]1[c:3]([O:4][H:11])[n:5][c:6]([H:12])[o:7]1)([H:8])([H:9])[H:10],[C:1]([c:2]1[c:3]([O:4][H:11])[n:5]([H:12])[c-:6][o+:7]1)([H:8])([H:9])[H:10],"InChI=1S/C4H5NO2/c1-3-4(6)5-2-7-3/h2,6H,1H3","InChI=1S/C4H5NO2/c1-3-4(6)5-2-7-3/h5-6H,1H3",71.03643000000001,37.927209999999995,
11178,[C:1]([c:2]1[c:3]([O:4][H:11])[n:5][c:6]([H:12])[o:7]1)([H:8])([H:9])[H:10],[C:1]([O+:7]=[C:2]=[C:3]([O:4][H:11])[N:5]=[C-:6][H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H5NO2/c1-3-4(6)5-2-7-3/h2,6H,1H3","InChI=1S/C4H5NO2/c1-5-4(6)3-7-2/h1,6H,2H3",114.81302,104.61146,
11179,[C:1]([c:2]1[c:3]([O:4][H:11])[n:5][c:6]([H:12])[o:7]1)([H:8])([H:9])[H:10],[C:1](=[C:2]1[C@@:3]([O:4][H:11])([H:10])[N:5]=[C:6]([H:12])[O:7]1)([H:8])[H:9],"InChI=1S/C4H5NO2/c1-3-4(6)5-2-7-3/h2,6H,1H3","InChI=1S/C4H5NO2/c1-3-4(6)5-2-7-3/h2,4,6H,1H2/t4-/m0/s1",76.08166,20.10243,
11180,[C:1]([c:2]1[c:3]([O:4][H:11])[n:5][c:6]([H:12])[o:7]1)([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:3]([O:4][H:11])[N:5]1[C:6](=[O:7])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H5NO2/c1-3-4(6)5-2-7-3/h2,6H,1H3","InChI=1S/C4H5NO2/c1-3-4(7)5(3)2-6/h2,7H,1H3",65.94054,69.50017,ketoenol
11181,[C:1]([c:2]1[c:3]([O:4][H:11])[n:5][c:6]([H:12])[o:7]1)([H:8])([H:9])[H:10],[C:1](=[C:2]=[C:3]=[N:5][C:6](=[O:7])[H:12])([H:8])[H:9].[O:4]([H:10])[H:11],"InChI=1S/C4H5NO2/c1-3-4(6)5-2-7-3/h2,6H,1H3","InChI=1S/C4H3NO.H2O/c1-2-3-5-4-6;/h4H,1H2;1H2",92.85729,53.45836,
11182,[C:1]([c:2]1[c:3]([O:4][H:11])[n:5][c:6]([H:12])[o:7]1)([H:8])([H:9])[H:10],[C:1]([C@:2]12[C:3]([O:4][H:11])=[N:5][C@@:6]1([H:12])[O:7]2)([H:8])([H:9])[H:10],"InChI=1S/C4H5NO2/c1-3-4(6)5-2-7-3/h2,6H,1H3","InChI=1S/C4H5NO2/c1-4-2(6)5-3(4)7-4/h3H,1H3,(H,5,6)/t3-,4-/m0/s1",84.80832,59.19283000000001,
11183,[C:1]([c:2]1[c:3]([O:4][H:11])[n:5][c:6]([H:12])[o:7]1)([H:8])([H:9])[H:10],[C:1]([C@:2]1([H:11])[C:3](=[O:4])[N:5]=[C:6]([H:12])[O:7]1)([H:8])([H:9])[H:10],"InChI=1S/C4H5NO2/c1-3-4(6)5-2-7-3/h2,6H,1H3","InChI=1S/C4H5NO2/c1-3-4(6)5-2-7-3/h2-3H,1H3/t3-/m1/s1",64.73433,-2.21616,ketoenol
11184,[N:1](=[C:2]1/[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[O:7]1)\[H:8],[N:1](=[C:2]=[C:3]([C:4]([C:5]([C:6]([O:7][H:10])([H:15])[H:16])([H:13])[H:14])([H:11])[H:12])[H:9])[H:8],"InChI=1S/C5H9NO/c6-5-3-1-2-4-7-5/h6H,1-4H2/b6-5-","InChI=1S/C5H9NO/c6-4-2-1-3-5-7/h2,6-7H,1,3,5H2",67.27216,24.281589999999998,
11185,[N:1](=[C:2]1/[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[O:7]1)\[H:8],[N:1]1([H:8])[C:2](=[O:7])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C@@:5]1([C:6]([H:13])([H:15])[H:16])[H:14],"InChI=1S/C5H9NO/c6-5-3-1-2-4-7-5/h6H,1-4H2/b6-5-","InChI=1S/C5H9NO/c1-4-2-3-5(7)6-4/h4H,2-3H2,1H3,(H,6,7)/t4-/m0/s1",74.77079,-18.66185,
11186,[N:1](=[C:2]1/[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[O:7]1)\[H:8],[N:1]1([H:8])[C:2]([O:7][C:6]([C:5]([C:4]([H:9])([H:11])[H:12])([H:13])[H:14])([H:15])[H:16])=[C:3]1[H:10],"InChI=1S/C5H9NO/c6-5-3-1-2-4-7-5/h6H,1-4H2/b6-5-","InChI=1S/C5H9NO/c1-2-3-7-5-4-6-5/h4,6H,2-3H2,1H3",87.00318,80.90098,
11187,[N:1](=[C:2]1/[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[O:7]1)\[H:8],[C:6]([H:15])[H:16].[N:1](=[C:2]1/[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:7]1)\[H:8],"InChI=1S/C5H9NO/c6-5-3-1-2-4-7-5/h6H,1-4H2/b6-5-","InChI=1S/C4H7NO.CH2/c5-4-2-1-3-6-4;/h5H,1-3H2;1H2/b5-4-;",116.47612,116.72247,
11188,[N:1](=[C:2]1/[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[O:7]1)\[H:8],[N:1]1([H:8])[C:2](=[O:7])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16],"InChI=1S/C5H9NO/c6-5-3-1-2-4-7-5/h6H,1-4H2/b6-5-","InChI=1S/C5H9NO/c7-5-3-1-2-4-6-5/h1-4H2,(H,6,7)",69.3342,-17.072129999999998,ketoenol
11189,[N:1](=[C:2]1/[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[O:7]1)\[H:8],[N:1]#[C:2][C:3]([C:4]([C:5]([C:6]([O:7][H:8])([H:15])[H:16])([H:13])[H:14])([H:11])[H:12])([H:9])[H:10],"InChI=1S/C5H9NO/c6-5-3-1-2-4-7-5/h6H,1-4H2/b6-5-","InChI=1S/C5H9NO/c6-4-2-1-3-5-7/h7H,1-3,5H2",50.3496,5.049580000000001,
11190,[N:1](=[C:2]1/[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[O:7]1)\[H:8],[H:10][H:15].[N:1](=[C:2]=[C:3]([C:4]([C:5]([C:6](=[O:7])[H:16])([H:13])[H:14])([H:11])[H:12])[H:9])[H:8],"InChI=1S/C5H9NO/c6-5-3-1-2-4-7-5/h6H,1-4H2/b6-5-","InChI=1S/C5H7NO.H2/c6-4-2-1-3-5-7;/h2,5-6H,1,3H2;1H",73.98612,42.918479999999995,
11191,[N:1](=[C:2]1/[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[O:7]1)\[H:8],[N:1]1([H:8])[C-:2]=[O+:7][C:6]([H:15])([H:16])[C:5]([H:13])([H:14])[C:4]([H:11])([H:12])[C:3]1([H:9])[H:10],"InChI=1S/C5H9NO/c6-5-3-1-2-4-7-5/h6H,1-4H2/b6-5-","InChI=1S/C5H9NO/c1-2-4-7-5-6-3-1/h6H,1-4H2",86.71334,72.71515,
11192,[N:1](=[C:2]1/[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[O:7]1)\[H:8],[N:1](=[C:2](/[C:3]([C:4]([C:5]([H:13])([H:14])[H:16])([H:11])[H:12])([H:9])[H:10])[O+:7]=[C-:6][H:15])\[H:8],"InChI=1S/C5H9NO/c6-5-3-1-2-4-7-5/h6H,1-4H2/b6-5-","InChI=1S/C5H9NO/c1-3-4-5(6)7-2/h2,6H,3-4H2,1H3/b6-5-",80.86115,69.40476,
11193,[N:1](=[C:2]1/[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[O:7]1)\[H:8],[H:10][H:11].[N:1](=[C:2]1/[C:3]([H:9])=[C:4]([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[O:7]1)\[H:8],"InChI=1S/C5H9NO/c6-5-3-1-2-4-7-5/h6H,1-4H2/b6-5-","InChI=1S/C5H7NO.H2/c6-5-3-1-2-4-7-5;/h1,3,6H,2,4H2;1H/b6-5-;",97.54202,23.85708,
11194,[N:1](=[C:2]1/[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[O:7]1)\[H:8],[C:3](=[C:4]([H:11])[H:12])([H:9])[H:10].[C:5](=[C:6]([H:15])[H:16])([H:13])[H:14].[N:1](=[C:2]=[O:7])[H:8],"InChI=1S/C5H9NO/c6-5-3-1-2-4-7-5/h6H,1-4H2/b6-5-",InChI=1S/2C2H4.CHNO/c2*1-2;2-1-3/h2*1-2H2;2H,72.37217,30.619629999999997,
11195,[N:1](=[C:2]1/[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[O:7]1)\[H:8],[N:1]1([H:8])[C:2](=[C:3]([H:9])[H:10])[O:7][C:6]([H:15])([H:16])[C:5]([H:13])([H:14])[C:4]1([H:11])[H:12],"InChI=1S/C5H9NO/c6-5-3-1-2-4-7-5/h6H,1-4H2/b6-5-","InChI=1S/C5H9NO/c1-5-6-3-2-4-7-5/h6H,1-4H2",96.68248,18.20802,
11196,[N:1](=[C:2]1/[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[O:7]1)\[H:8],[N:1]([C:2]1=[O+:7][C-:6]([H:16])[C:5]([H:13])([H:14])[C:4]([H:11])([H:12])[C:3]1([H:9])[H:10])([H:8])[H:15],"InChI=1S/C5H9NO/c6-5-3-1-2-4-7-5/h6H,1-4H2/b6-5-","InChI=1S/C5H9NO/c6-5-3-1-2-4-7-5/h4H,1-3,6H2",90.08397,54.38369,
11197,[N:1](=[C:2]1/[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[O:7]1)\[H:8],[N:1](=[C:2]1/[C@@:4]([C:3]([H:9])([H:10])[H:12])([H:11])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[O:7]1)\[H:8],"InChI=1S/C5H9NO/c6-5-3-1-2-4-7-5/h6H,1-4H2/b6-5-","InChI=1S/C5H9NO/c1-4-2-3-7-5(4)6/h4,6H,2-3H2,1H3/b6-5-/t4-/m1/s1",117.42197,-3.11096,
11198,[N:1](=[C:2]1/[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[O:7]1)\[H:8],[N:1]([C@@:2]12[C:3]([H:9])([H:10])[C@:4]1([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[O:7]2)([H:8])[H:11],"InChI=1S/C5H9NO/c6-5-3-1-2-4-7-5/h6H,1-4H2/b6-5-","InChI=1S/C5H9NO/c6-5-3-4(5)1-2-7-5/h4H,1-3,6H2/t4-,5+/m0/s1",84.89125,25.47083,
11199,[N:1](=[C:2]1/[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[O:7]1)\[H:8],[N:1](=[C:2](/[C:3]([H:9])([H:10])[H:16])[O+:7]=[C:6]([C:5]([C-:4]([H:11])[H:12])([H:13])[H:14])[H:15])\[H:8],"InChI=1S/C5H9NO/c6-5-3-1-2-4-7-5/h6H,1-4H2/b6-5-","InChI=1S/C5H9NO/c1-3-4-7-5(2)6/h4,6H,1,3H2,2H3/b6-5-",97.2277,85.258,
11200,[N:1](=[C:2]1/[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[O:7]1)\[H:8],[N:1](=[C:2](/[O:7][C:6]([C:5]([C:4](=[C:3]([H:9])[H:10])[H:12])([H:13])[H:14])([H:15])[H:16])[H:11])\[H:8],"InChI=1S/C5H9NO/c6-5-3-1-2-4-7-5/h6H,1-4H2/b6-5-","InChI=1S/C5H9NO/c1-2-3-4-7-5-6/h2,5-6H,1,3-4H2/b6-5+",87.9777,23.71169,
11201,[N:1](=[C:2]1/[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[O:7]1)\[H:8],[C:3](=[C:4]([C:5]([C:6]([O:7][H:11])([H:15])[H:16])([H:13])[H:14])[H:12])([H:9])[H:10].[N:1](=[C:2])[H:8],"InChI=1S/C5H9NO/c6-5-3-1-2-4-7-5/h6H,1-4H2/b6-5-","InChI=1S/C4H8O.CHN/c1-2-3-4-5;1-2/h2,5H,1,3-4H2;2H",95.09235,54.50169,
11202,[N:1](=[C:2]1/[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[O:7]1)\[H:8],[N:1]([C:2]1=[C:3]([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[O:7]1)([H:8])[H:9],"InChI=1S/C5H9NO/c6-5-3-1-2-4-7-5/h6H,1-4H2/b6-5-","InChI=1S/C5H9NO/c6-5-3-1-2-4-7-5/h3H,1-2,4,6H2",58.885459999999995,6.628139999999999,
11203,[N:1](=[C:2]1/[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[O:7]1)\[H:8],[H:11][H:14].[N:1](=[C:2]1/[C:3]([H:9])([H:10])[C:4]([H:12])=[C:5]([H:13])[C:6]([H:15])([H:16])[O:7]1)\[H:8],"InChI=1S/C5H9NO/c6-5-3-1-2-4-7-5/h6H,1-4H2/b6-5-","InChI=1S/C5H7NO.H2/c6-5-3-1-2-4-7-5;/h1-2,6H,3-4H2;1H/b6-5-;",108.39457,29.13849,
11204,[N:1](=[C:2]1/[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[O:7]1)\[H:8],[N:1](=[C:2](/[C:3]([C:4]([C:5]([C:6](=[O:7])[H:15])([H:13])[H:14])([H:11])[H:12])([H:9])[H:10])[H:16])\[H:8],"InChI=1S/C5H9NO/c6-5-3-1-2-4-7-5/h6H,1-4H2/b6-5-","InChI=1S/C5H9NO/c6-4-2-1-3-5-7/h4-6H,1-3H2/b6-4+",69.78643000000001,13.5614,
11205,[N:1](=[C:2]1/[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[O:7]1)\[H:8],[H:10][H:14].[N-:1]([C:2]1=[C:3]([H:9])[C:4]([H:11])([H:12])[C+:5]([H:13])[C:6]([H:15])([H:16])[O:7]1)[H:8],"InChI=1S/C5H9NO/c6-5-3-1-2-4-7-5/h6H,1-4H2/b6-5-","InChI=1S/C5H7NO.H2/c6-5-3-1-2-4-7-5;/h2-3,6H,1,4H2;1H",88.22525,91.38851,
11206,[N:1](=[C:2]1/[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[O:7]1)\[H:8],[N:1](=[C:2](/[C:3]([C:4]([C:5](=[C:6]([H:15])[H:16])[H:14])([H:11])[H:12])([H:9])[H:10])[O:7][H:13])\[H:8],"InChI=1S/C5H9NO/c6-5-3-1-2-4-7-5/h6H,1-4H2/b6-5-","InChI=1S/C5H9NO/c1-2-3-4-5(6)7/h2H,1,3-4H2,(H2,6,7)",63.36101,4.7945,
11207,[N:1](=[C:2]1/[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[O:7]1)\[H:8],[H:15][H:16].[N:1](=[C:2]1/[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C-:6]=[O+:7]1)\[H:8],"InChI=1S/C5H9NO/c6-5-3-1-2-4-7-5/h6H,1-4H2/b6-5-","InChI=1S/C5H7NO.H2/c6-5-3-1-2-4-7-5;/h6H,1-3H2;1H/b6-5-;",79.72746,77.0319,
11208,[N:1](=[C:2]1/[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[O:7]1)\[H:8],[H:8][H:15].[N:1]#[C:2][C:3]([C:4]([C:5]([C:6](=[O:7])[H:16])([H:13])[H:14])([H:11])[H:12])([H:9])[H:10],"InChI=1S/C5H9NO/c6-5-3-1-2-4-7-5/h6H,1-4H2/b6-5-","InChI=1S/C5H7NO.H2/c6-4-2-1-3-5-7;/h5H,1-3H2;1H",68.26285,25.22839,
11209,[N:1](=[C:2]1/[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[O:7]1)\[H:8],[C:3]1([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16].[N:1](=[C:2]=[O:7])[H:8],"InChI=1S/C5H9NO/c6-5-3-1-2-4-7-5/h6H,1-4H2/b6-5-",InChI=1S/C4H8.CHNO/c1-2-4-3-1;2-1-3/h1-4H2;2H,77.01182,12.02707,
11210,[N:1](=[C:2]1/[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[O:7]1)\[H:8],[N:1]([C:2]([C:3]([C:4]([C:5](=[C:6]([H:15])[H:16])[H:13])([H:11])[H:12])([H:9])[H:10])=[O:7])([H:8])[H:14],"InChI=1S/C5H9NO/c6-5-3-1-2-4-7-5/h6H,1-4H2/b6-5-","InChI=1S/C5H9NO/c1-2-3-4-5(6)7/h2H,1,3-4H2,(H2,6,7)",52.86261999999999,-4.95796,
11211,[N:1](=[C:2]1/[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[O:7]1)\[H:8],[N:1]([C@@:2]12[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C@:6]1([H:16])[O:7]2)([H:8])[H:15],"InChI=1S/C5H9NO/c6-5-3-1-2-4-7-5/h6H,1-4H2/b6-5-","InChI=1S/C5H9NO/c6-5-3-1-2-4(5)7-5/h4H,1-3,6H2/t4-,5+/m0/s1",97.52917,18.60262,
11212,[N:1](=[C:2]1/[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[O:7]1)\[H:8],[N:1]([C:2]1=[O+:7][C:6]([H:15])([H:16])[C:5]([H:13])([H:14])[C-:4]([H:12])[C:3]1([H:9])[H:10])([H:8])[H:11],"InChI=1S/C5H9NO/c6-5-3-1-2-4-7-5/h6H,1-4H2/b6-5-","InChI=1S/C5H9NO/c6-5-3-1-2-4-7-5/h1H,2-4,6H2",84.90029,76.50876,
11213,[N:1](=[C:2]1/[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[O:7]1)\[H:8],[C:6](=[O:7])([H:15])[H:16].[N:1](=[C:2]=[C:3]([C:4]([C:5]([H:9])([H:13])[H:14])([H:11])[H:12])[H:10])[H:8],"InChI=1S/C5H9NO/c6-5-3-1-2-4-7-5/h6H,1-4H2/b6-5-","InChI=1S/C4H7N.CH2O/c1-2-3-4-5;1-2/h3,5H,2H2,1H3;1H2",109.83873,40.9965,
11214,[N:1](=[C:2]1/[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[O:7]1)\[H:8],[N:1]#[C:2][O:7][C:6]([C:5]([C:4]([C:3]([H:8])([H:9])[H:10])([H:11])[H:12])([H:13])[H:14])([H:15])[H:16],"InChI=1S/C5H9NO/c6-5-3-1-2-4-7-5/h6H,1-4H2/b6-5-","InChI=1S/C5H9NO/c1-2-3-4-7-5-6/h2-4H2,1H3",92.94238,19.9078,
11215,[O:1]([C@@:2]([C:3]([C:4]#[C:5][H:12])([H:10])[H:11])([C:6]#[C:7][H:13])[H:9])[H:8],[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C:4]2=[C:5]([H:12])[C:6]2=[C:7]1[H:13])[H:8],"InChI=1S/C6H6O/c1-3-5-6(7)4-2/h1-2,6-7H,5H2/t6-/m1/s1","InChI=1S/C6H6O/c7-6-2-4-1-5(4)3-6/h1-2,6-7H,3H2/t6-/m1/s1",54.94639,9.69015,
11216,[O:1]([C@@:2]([C:3]([C:4]#[C:5][H:12])([H:10])[H:11])([C:6]#[C:7][H:13])[H:9])[H:8],[C:3](=[C:4]=[C:5]([H:8])[H:12])([H:10])[H:11].[O:1]=[C:2]([C:6]#[C:7][H:13])[H:9],"InChI=1S/C6H6O/c1-3-5-6(7)4-2/h1-2,6-7H,5H2/t6-/m1/s1","InChI=1S/C3H2O.C3H4/c1-2-3-4;1-3-2/h1,3H;1-2H2",24.12904,8.29917,Retroene
11217,[O:1]([C@@:2]([C:3]([C:4]#[C:5][H:12])([H:10])[H:11])([C:6]#[C:7][H:13])[H:9])[H:8],[O:1](/[C:5](=[C:4]1\[C:3]([H:10])([H:11])[C:2]([H:9])=[C:6]=[C:7]1[H:13])[H:12])[H:8],"InChI=1S/C6H6O/c1-3-5-6(7)4-2/h1-2,6-7H,5H2/t6-/m1/s1","InChI=1S/C6H6O/c7-5-6-3-1-2-4-6/h1,4-5,7H,3H2/b6-5+",86.70616,1.73423,
11218,[O:1]([C@@:2]([C:3]([C:4]#[C:5][H:12])([H:10])[H:11])([C:6]#[C:7][H:13])[H:9])[H:8],[O:1]([C:7](=[C:6]=[C:2]([C:3]([C:4]#[C:5][H:12])([H:10])[H:11])[H:9])[H:13])[H:8],"InChI=1S/C6H6O/c1-3-5-6(7)4-2/h1-2,6-7H,5H2/t6-/m1/s1","InChI=1S/C6H6O/c1-2-3-4-5-6-7/h1,4,6-7H,3H2",58.810469999999995,-3.80721,
11219,[O:1]([C@@:2]([C:3]([C:4]#[C:5][H:12])([H:10])[H:11])([C:6]#[C:7][H:13])[H:9])[H:8],[O:1]1[C@@:2]([C:6]#[C:7][H:13])([H:9])[C:3]([H:10])([H:11])[C:4]1=[C:5]([H:8])[H:12],"InChI=1S/C6H6O/c1-3-5-6(7)4-2/h1-2,6-7H,5H2/t6-/m1/s1","InChI=1S/C6H6O/c1-3-6-4-5(2)7-6/h1,6H,2,4H2/t6-/m1/s1",63.303090000000005,-9.57441,
11220,[O:1]([C@@:2]([C:3]([C:4]#[C:5][H:12])([H:10])[H:11])([C:6]#[C:7][H:13])[H:9])[H:8],[O:1]([C:2]([C:3]([C:4]#[C:5][H:12])([H:10])[H:11])=[C:6]=[C:7]([H:9])[H:13])[H:8],"InChI=1S/C6H6O/c1-3-5-6(7)4-2/h1-2,6-7H,5H2/t6-/m1/s1","InChI=1S/C6H6O/c1-3-5-6(7)4-2/h1,7H,2,5H2",72.45416999999999,-8.48851,
11221,[O:1]([C@@:2]([C:3]([C:4]#[C:5][H:12])([H:10])[H:11])([C:6]#[C:7][H:13])[H:9])[H:8],[O:1]([C:2](=[C:6]=[C:7]([C:4]1=[C:5]([H:12])[C:3]1([H:10])[H:11])[H:13])[H:9])[H:8],"InChI=1S/C6H6O/c1-3-5-6(7)4-2/h1-2,6-7H,5H2/t6-/m1/s1","InChI=1S/C6H6O/c7-5-1-2-6-3-4-6/h2-3,5,7H,4H2",44.784659999999995,1.2127700000000001,
11222,[O:1]([C@@:2]([C:3]([C:4]#[C:5][H:12])([H:10])[H:11])([C:6]#[C:7][H:13])[H:9])[H:8],[O:1]([C@@:2]([C:3]([C:4]#[C:5][H:12])([H:10])[H:11])([C:7](=[C:6])[H:13])[H:9])[H:8],"InChI=1S/C6H6O/c1-3-5-6(7)4-2/h1-2,6-7H,5H2/t6-/m1/s1","InChI=1S/C6H6O/c1-3-5-6(7)4-2/h1,4,6-7H,5H2/t6-/m1/s1",57.27066,48.82452,Singlet_Carbene_Intra_Disproportionation
11223,[O:1]([C@@:2]([C:3]([C:4]#[C:5][H:12])([H:10])[H:11])([C:6]#[C:7][H:13])[H:9])[H:8],[O:1]([C:2](=[C:6]=[C:7]([C:5](=[C:4]=[C:3]([H:10])[H:11])[H:12])[H:13])[H:9])[H:8],"InChI=1S/C6H6O/c1-3-5-6(7)4-2/h1-2,6-7H,5H2/t6-/m1/s1","InChI=1S/C6H6O/c1-2-3-4-5-6-7/h3-4,6-7H,1H2",22.93785,-16.5912,6_membered_central_C-C_shift
11224,[O:1]([C@@:2]([C:3]([C:4]#[C:5][H:12])([H:10])[H:11])([C:6]#[C:7][H:13])[H:9])[H:8],[C:3]([C:4]#[C:5][H:12])([H:9])([H:10])[H:11].[O:1]([C-:2]=[C:6]=[C+:7][H:13])[H:8],"InChI=1S/C6H6O/c1-3-5-6(7)4-2/h1-2,6-7H,5H2/t6-/m1/s1","InChI=1S/C3H2O.C3H4/c1-2-3-4;1-3-2/h1,4H;1H,2H3",55.935959999999994,60.9517,
11225,[O:1]([C@@:2]([C:3]([C:4]#[C:5][H:12])([H:10])[H:11])([C:6]#[C:7][H:13])[H:9])[H:8],[O:1]1[C@:2]([C:3]([C:4]#[C:5][H:12])([H:10])[H:11])([H:9])[C:6][C:7]1([H:8])[H:13],"InChI=1S/C6H6O/c1-3-5-6(7)4-2/h1-2,6-7H,5H2/t6-/m1/s1","InChI=1S/C6H6O/c1-2-3-6-4-5-7-6/h1,6H,3,5H2/t6-/m0/s1",88.67696,71.87021,
11226,[O:1]([C@@:2]([C:3]([C:4]#[C:5][H:12])([H:10])[H:11])([C:6]#[C:7][H:13])[H:9])[H:8],[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C:4](=[C:5]([H:12])[H:13])[C:7]#[C:6]1)[H:8],"InChI=1S/C6H6O/c1-3-5-6(7)4-2/h1-2,6-7H,5H2/t6-/m1/s1","InChI=1S/C6H6O/c1-5-2-3-6(7)4-5/h6-7H,1,4H2/t6-/m1/s1",103.79841,26.77191,
11227,[O:1]([C@@:2]([C:3]([C:4]#[C:5][H:12])([H:10])[H:11])([C:6]#[C:7][H:13])[H:9])[H:8],[O:1]([C@@:2]([C:3]([C:5](=[C:4])[H:12])([H:10])[H:11])([C:6]#[C:7][H:13])[H:9])[H:8],"InChI=1S/C6H6O/c1-3-5-6(7)4-2/h1-2,6-7H,5H2/t6-/m1/s1","InChI=1S/C6H6O/c1-3-5-6(7)4-2/h2-3,6-7H,5H2/t6-/m1/s1",58.81944,52.56505,Singlet_Carbene_Intra_Disproportionation
11228,[O:1]([C@@:2]([C:3]([C:4]#[C:5][H:12])([H:10])[H:11])([C:6]#[C:7][H:13])[H:9])[H:8],[O:1]([C@@:2]1([H:9])[C:6]([C:4]2=[C:5]([H:12])[C:3]2([H:10])[H:11])=[C:7]1[H:13])[H:8],"InChI=1S/C6H6O/c1-3-5-6(7)4-2/h1-2,6-7H,5H2/t6-/m1/s1","InChI=1S/C6H6O/c7-6-3-5(6)4-1-2-4/h1,3,6-7H,2H2/t6-/m1/s1",83.78839,19.52611,
11229,[O:1]([C@@:2]([C:3]([C:4]#[C:5][H:12])([H:10])[H:11])([C:6]#[C:7][H:13])[H:9])[H:8],[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C-:4]=[C:5]([H:12])[C+:7]=[C:6]1[H:13])[H:8],"InChI=1S/C6H6O/c1-3-5-6(7)4-2/h1-2,6-7H,5H2/t6-/m1/s1","InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1,4,6-7H,5H2/t6-/m1/s1",42.69057,19.9727,
11230,[C:1](#[C:2][C:3]1=[C:4]([H:9])[C:5]([H:10])([H:11])[O:6][C:7]1([H:12])[H:13])[H:8],[C:1](=[C:2]=[C:3]1[C-:4]([H:9])[C:5]([H:10])([H:11])[O+:6]=[C:7]1[H:12])([H:8])[H:13],"InChI=1S/C6H6O/c1-2-6-3-4-7-5-6/h1,3H,4-5H2","InChI=1S/C6H6O/c1-2-6-3-4-7-5-6/h3,5H,1,4H2",59.42276999999999,34.520140000000005,
11231,[C:1](#[C:2][C:3]1=[C:4]([H:9])[C:5]([H:10])([H:11])[O:6][C:7]1([H:12])[H:13])[H:8],[C:1](=[C+:2][C:3]1=[C-:4][C:5]([H:10])([H:11])[O:6][C:7]1([H:12])[H:13])([H:8])[H:9],"InChI=1S/C6H6O/c1-2-6-3-4-7-5-6/h1,3H,4-5H2","InChI=1S/C6H6O/c1-2-6-3-4-7-5-6/h1,4-5H2",94.39149,59.0872,
11232,[C:1](#[C:2][C:3]1=[C:4]([H:9])[C:5]([H:10])([H:11])[O:6][C:7]1([H:12])[H:13])[H:8],[C:1](=[C:2]=[C:3]1[C:4]([H:9])=[C:5]([H:11])[O:6][C:7]1([H:12])[H:13])([H:8])[H:10],"InChI=1S/C6H6O/c1-2-6-3-4-7-5-6/h1,3H,4-5H2","InChI=1S/C6H6O/c1-2-6-3-4-7-5-6/h3-4H,1,5H2",72.41085,-11.54349,Intra_ene_reaction
11233,[C:1](#[C:2][C:3]1=[C:4]([H:9])[C:5]([H:10])([H:11])[O:6][C:7]1([H:12])[H:13])[H:8],[C-:1](=[C:2]([C:3]1=[C:4]([H:9])[C:5]([H:10])([H:11])[O+:6]=[C:7]1[H:12])[H:13])[H:8],"InChI=1S/C6H6O/c1-2-6-3-4-7-5-6/h1,3H,4-5H2","InChI=1S/C6H6O/c1-2-6-3-4-7-5-6/h1-3,5H,4H2",68.60358000000001,50.2819,
11234,[C:1](#[C:2][C:3]1=[C:4]([H:9])[C:5]([H:10])([H:11])[O:6][C:7]1([H:12])[H:13])[H:8],[C:1](#[C:2][C:3]1=[C:4]([H:9])[C:5]([H:10])([H:11])[O+:6]=[C-:7]1)[H:8].[H:12][H:13],"InChI=1S/C6H6O/c1-2-6-3-4-7-5-6/h1,3H,4-5H2","InChI=1S/C6H4O.H2/c1-2-6-3-4-7-5-6;/h1,3H,4H2;1H",70.2078,62.8134,
11235,[C:1](#[C:2][C:3]1=[C:4]([H:9])[C:5]([H:10])([H:11])[O:6][C:7]1([H:12])[H:13])[H:8],[C-:1](=[C:2]1[C+:3]=[C:4]([H:9])[C:5]([H:10])([H:11])[O:6][C:7]1([H:12])[H:13])[H:8],"InChI=1S/C6H6O/c1-2-6-3-4-7-5-6/h1,3H,4-5H2","InChI=1S/C6H6O/c1-6-3-2-4-7-5-6/h1-2H,4-5H2",72.98286,76.97834,
11236,[C:1](#[C:2][C:3]1=[C:4]([H:9])[C:5]([H:10])([H:11])[O:6][C:7]1([H:12])[H:13])[H:8],[C:1](#[C:2][C-:3]=[C:4]([C:5](=[O+:6][C:7]([H:11])([H:12])[H:13])[H:10])[H:9])[H:8],"InChI=1S/C6H6O/c1-2-6-3-4-7-5-6/h1,3H,4-5H2","InChI=1S/C6H6O/c1-3-4-5-6-7-2/h1,5-6H,2H3",110.76533,54.46434,
11237,[C:1](#[C:2][C:3]1=[C:4]([H:9])[C:5]([H:10])([H:11])[O:6][C:7]1([H:12])[H:13])[H:8],[C:1](#[C:2][C:3]([C@:4]1([H:9])[C:5]([H:10])([H:11])[O:6]1)=[C:7]([H:12])[H:13])[H:8],"InChI=1S/C6H6O/c1-2-6-3-4-7-5-6/h1,3H,4-5H2","InChI=1S/C6H6O/c1-3-5(2)6-4-7-6/h1,6H,2,4H2/t6-/m0/s1",68.1132,18.07868,
11238,[C:1](#[C:2][C:3]1=[C:4]([H:9])[C:5]([H:10])([H:11])[O:6][C:7]1([H:12])[H:13])[H:8],[C:1](=[C:2])([C:3]1=[C:4]([H:9])[C:5]([H:10])([H:11])[O:6][C:7]1([H:12])[H:13])[H:8],"InChI=1S/C6H6O/c1-2-6-3-4-7-5-6/h1,3H,4-5H2","InChI=1S/C6H6O/c1-2-6-3-4-7-5-6/h2-3H,4-5H2",52.627030000000005,52.3897,Singlet_Carbene_Intra_Disproportionation
11239,[C:1](#[C:2][C:3]1=[C:4]([H:9])[C:5]([H:10])([H:11])[O:6][C:7]1([H:12])[H:13])[H:8],[C:1](#[C:2][C:7]([C:3]#[C:4][H:9])([H:12])[H:13])[H:8].[C:5](=[O:6])([H:10])[H:11],"InChI=1S/C6H6O/c1-2-6-3-4-7-5-6/h1,3H,4-5H2","InChI=1S/C5H4.CH2O/c1-3-5-4-2;1-2/h1-2H,5H2;1H2",92.11832,46.10648,
11240,[C:1](#[C:2][C:3]1=[C:4]([H:9])[C:5]([H:10])([H:11])[O:6][C:7]1([H:12])[H:13])[H:8],[C-:1](=[C:2]=[C:3]1[C:4]([H:9])([H:11])[C:5]([H:10])=[O+:6][C:7]1([H:12])[H:13])[H:8],"InChI=1S/C6H6O/c1-2-6-3-4-7-5-6/h1,3H,4-5H2","InChI=1S/C6H6O/c1-2-6-3-4-7-5-6/h1,4H,3,5H2",57.94249,47.5685,
11241,[C:1](#[C:2][C:3]1=[C:4]([H:9])[C:5]([H:10])([H:11])[O:6][C:7]1([H:12])[H:13])[H:8],[C:1](#[C:2]/[C:3]([C:4][H:9])=[C:7](/[O:6][C:5]([H:10])([H:11])[H:12])[H:13])[H:8],"InChI=1S/C6H6O/c1-2-6-3-4-7-5-6/h1,3H,4-5H2","InChI=1S/C6H6O/c1-4-6(2)5-7-3/h1-2,5H,3H3/b6-5+",125.44859,76.13713,
11242,[C:1](#[C:2][C:3]1=[C:4]([H:9])[C:5]([H:10])([H:11])[O:6][C:7]1([H:12])[H:13])[H:8],[C:1]1([H:8])=[C:2]=[C:3]=[C:4]([H:9])[C:5]([H:10])([H:11])[O:6][C:7]1([H:12])[H:13],"InChI=1S/C6H6O/c1-2-6-3-4-7-5-6/h1,3H,4-5H2","InChI=1S/C6H6O/c1-2-4-6-7-5-3-1/h3-4H,5-6H2",85.3756,31.299529999999997,
11243,[C:1](#[C:2][C:3]1=[C:4]([H:9])[C:5]([H:10])([H:11])[O:6][C:7]1([H:12])[H:13])[H:8],[C:1](#[C:2][C@@:4]1([H:9])[C:3][C:7]([H:12])([H:13])[O:6][C:5]1([H:10])[H:11])[H:8],"InChI=1S/C6H6O/c1-2-6-3-4-7-5-6/h1,3H,4-5H2","InChI=1S/C6H6O/c1-2-6-3-4-7-5-6/h1,6H,4-5H2/t6-/m0/s1",71.87605,76.44695,Singlet_Carbene_Intra_Disproportionation
11244,[C:1](#[C:2][C:3]1=[C:4]([H:9])[C:5]([H:10])([H:11])[O:6][C:7]1([H:12])[H:13])[H:8],[C:1](#[C:2][C:3]1=[C:7]([H:12])[O:6][C:5]([H:10])([H:11])[C:4]1([H:9])[H:13])[H:8],"InChI=1S/C6H6O/c1-2-6-3-4-7-5-6/h1,3H,4-5H2","InChI=1S/C6H6O/c1-2-6-3-4-7-5-6/h1,5H,3-4H2",80.03402,-5.74862,
11245,[C:1](#[C:2][C:3]1=[C:4]([H:9])[C:5]([H:10])([H:11])[O:6][C:7]1([H:12])[H:13])[H:8],[C:1](#[C:2][C+:3]([C:4](=[C:5]([H:10])[H:11])[H:9])[C:7]([O-:6])([H:12])[H:13])[H:8],"InChI=1S/C6H6O/c1-2-6-3-4-7-5-6/h1,3H,4-5H2","InChI=1S/C6H6O/c1-3-6(4-2)5-7/h1,4H,2,5H2",48.16086,49.1892,
11246,[C:1](#[C:2][C:3]1=[C:4]([H:9])[C:5]([H:10])([H:11])[O:6][C:7]1([H:12])[H:13])[H:8],[C+:1]1([H:8])[C:2]2=[C-:3][C:7]([H:12])([H:13])[O:6][C:5]([H:10])([H:11])[C@@:4]12[H:9],"InChI=1S/C6H6O/c1-2-6-3-4-7-5-6/h1,3H,4-5H2","InChI=1S/C6H6O/c1-2-7-4-6-3-5(1)6/h3,6H,2,4H2/t6-/m1/s1",68.8894,74.25315,
11247,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[N:4]([H:12])[C@:5]1([C:6](=[O:7])[H:14])[H:13])[H:8],[C:2]1([H:9])=[C:3]([H:11])[N:4]([H:12])[C@:5]1([C:6](=[O:7])[H:14])[H:13].[O:1]([H:8])[H:10],"InChI=1S/C4H7NO2/c6-2-3-4(7)1-5-3/h2-5,7H,1H2/t3-,4-/m0/s1",InChI=1S/C4H5NO.H2O/c6-3-4-1-2-5-4;/h1-5H;1H2/t4-;/m1./s1,66.61128000000001,15.55105,"1,3_Insertion_ROR"
11248,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[N:4]([H:12])[C@:5]1([C:6](=[O:7])[H:14])[H:13])[H:8],[O:1]([C:2]([C@@:5]([N:4]([C:3][H:10])[H:12])([C:6](=[O:7])[H:14])[H:13])([H:9])[H:11])[H:8],"InChI=1S/C4H7NO2/c6-2-3-4(7)1-5-3/h2-5,7H,1H2/t3-,4-/m0/s1","InChI=1S/C4H7NO2/c1-5-4(2-6)3-7/h1-2,4-5,7H,3H2/t4-/m0/s1",55.07196,29.97683,
11249,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[N:4]([H:12])[C@:5]1([C:6](=[O:7])[H:14])[H:13])[H:8],[O:1]=[C:2]([C:3]([N:4]([C:5](=[C:6]([O:7][H:8])[H:14])[H:13])[H:12])([H:10])[H:11])[H:9],"InChI=1S/C4H7NO2/c6-2-3-4(7)1-5-3/h2-5,7H,1H2/t3-,4-/m0/s1","InChI=1S/C4H7NO2/c6-3-1-5-2-4-7/h1,3-6H,2H2",10.9867,-6.2904599999999995,
11250,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[N:4]([H:12])[C@:5]1([C:6](=[O:7])[H:14])[H:13])[H:8],[C-:6]#[O+:7].[O:1]([C:2]([C+:5]([N:4]([C-:3]([H:10])[H:11])[H:12])[H:13])([H:9])[H:14])[H:8],"InChI=1S/C4H7NO2/c6-2-3-4(7)1-5-3/h2-5,7H,1H2/t3-,4-/m0/s1","InChI=1S/C3H7NO.CO/c1-4-2-3-5;1-2/h2,4-5H,1,3H2;",84.58384000000001,23.95746,
11251,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[N:4]([H:12])[C@:5]1([C:6](=[O:7])[H:14])[H:13])[H:8],[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[N:4]([H:12])[C@:5]1([O+:7]=[C-:6][H:14])[H:13])[H:8],"InChI=1S/C4H7NO2/c6-2-3-4(7)1-5-3/h2-5,7H,1H2/t3-,4-/m0/s1","InChI=1S/C4H7NO2/c1-7-4-3(6)2-5-4/h1,3-6H,2H2/t3-,4-/m0/s1",97.66664,66.12522,
11252,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[N:4]([H:12])[C@:5]1([C:6](=[O:7])[H:14])[H:13])[H:8],[O:1]([C@@:2]1([H:9])[C-:3]([H:10])[N+:4]([H:11])([H:12])[C@:5]1([C:6](=[O:7])[H:14])[H:13])[H:8],"InChI=1S/C4H7NO2/c6-2-3-4(7)1-5-3/h2-5,7H,1H2/t3-,4-/m0/s1","InChI=1S/C4H7NO2/c6-2-3-4(7)1-5-3/h1-4,7H,5H2/t3-,4-/m0/s1",72.1987,52.53377,
11253,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[N:4]([H:12])[C@:5]1([C:6](=[O:7])[H:14])[H:13])[H:8],[O:1]1[C@@:2]2([H:9])[C:3]([H:10])([H:11])[N:4]([H:12])[C@@:5]2([H:13])[C@:6]1([O:7][H:8])[H:14],"InChI=1S/C4H7NO2/c6-2-3-4(7)1-5-3/h2-5,7H,1H2/t3-,4-/m0/s1","InChI=1S/C4H7NO2/c6-4-3-2(7-4)1-5-3/h2-6H,1H2/t2-,3+,4-/m0/s1",47.24719,14.29302,
11254,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[N:4]([H:12])[C@:5]1([C:6](=[O:7])[H:14])[H:13])[H:8],[C@@:2]12([H:9])[C:3]([H:10])([H:11])[N:4]1[C@:5]2([C:6](=[O:7])[H:14])[H:13].[O:1]([H:8])[H:12],"InChI=1S/C4H7NO2/c6-2-3-4(7)1-5-3/h2-5,7H,1H2/t3-,4-/m0/s1","InChI=1S/C4H5NO.H2O/c6-2-4-3-1-5(3)4;/h2-4H,1H2;1H2/t3-,4-,5?;/m0./s1",74.33906,32.22208,
11255,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[N:4]([H:12])[C@:5]1([C:6](=[O:7])[H:14])[H:13])[H:8],[O:1]([C@@:2]1([H:9])[C:3]([H:11])=[N:4][C@:5]1([C:6]([O:7][H:12])([H:10])[H:14])[H:13])[H:8],"InChI=1S/C4H7NO2/c6-2-3-4(7)1-5-3/h2-5,7H,1H2/t3-,4-/m0/s1","InChI=1S/C4H7NO2/c6-2-3-4(7)1-5-3/h1,3-4,6-7H,2H2/t3-,4-/m0/s1",54.82885,9.09453,
11256,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[N:4]([H:12])[C@:5]1([C:6](=[O:7])[H:14])[H:13])[H:8],[O:1]([C:2](=[C:3]([N:4]([C:5](=[C:6]([O:7][H:10])[H:14])[H:13])[H:12])[H:11])[H:9])[H:8],"InChI=1S/C4H7NO2/c6-2-3-4(7)1-5-3/h2-5,7H,1H2/t3-,4-/m0/s1",InChI=1S/C4H7NO2/c6-3-1-5-2-4-7/h1-7H,36.146840000000005,-4.78282,
11257,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[N:4]([H:12])[C@:5]1([C:6](=[O:7])[H:14])[H:13])[H:8],[C:2]1([H:9])=[C:5]([H:13])[N:4]([H:12])[C:3]1([H:10])[H:11].[O:1]([C:6](=[O:7])[H:14])[H:8],"InChI=1S/C4H7NO2/c6-2-3-4(7)1-5-3/h2-5,7H,1H2/t3-,4-/m0/s1","InChI=1S/C3H5N.CH2O2/c1-2-4-3-1;2-1-3/h1-2,4H,3H2;1H,(H,2,3)",50.519690000000004,5.72279,
11258,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[N:4]([H:12])[C@:5]1([C:6](=[O:7])[H:14])[H:13])[H:8],[O:1]([C@@:5]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[N:4]1[H:12])([C:6](=[O:7])[H:14])[H:13])[H:8],"InChI=1S/C4H7NO2/c6-2-3-4(7)1-5-3/h2-5,7H,1H2/t3-,4-/m0/s1","InChI=1S/C4H7NO2/c6-2-4(7)3-1-5-3/h2-5,7H,1H2/t3-,4-/m1/s1",74.24494,4.8819300000000005,
11259,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[N:4]([H:12])[C@:5]1([C:6](=[O:7])[H:14])[H:13])[H:8],[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[N+:4]([H:12])([H:13])[C:5]1=[C:6]([O-:7])[H:14])[H:8],"InChI=1S/C4H7NO2/c6-2-3-4(7)1-5-3/h2-5,7H,1H2/t3-,4-/m0/s1","InChI=1S/C4H7NO2/c6-2-3-4(7)1-5-3/h2,4-7H,1H2/t4-/m0/s1",55.80741999999999,23.52627,
11260,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[N:4]([H:12])[C@:5]1([C:6](=[O:7])[H:14])[H:13])[H:8],[O:1]([C:3]([C@@:2]1([H:9])[N:4]([H:12])[C@:5]1([C:6](=[O:7])[H:14])[H:13])([H:10])[H:11])[H:8],"InChI=1S/C4H7NO2/c6-2-3-4(7)1-5-3/h2-5,7H,1H2/t3-,4-/m0/s1","InChI=1S/C4H7NO2/c6-1-3-4(2-7)5-3/h1,3-5,7H,2H2/t3-,4+/m0/s1",72.83433000000001,0.64998,
11261,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[N:4]([H:12])[C@:5]1([C:6](=[O:7])[H:14])[H:13])[H:8],[H:10][H:11].[O:1]([C@@:2]1([H:9])[C:3][N:4]([H:12])[C@:5]1([C:6](=[O:7])[H:14])[H:13])[H:8],"InChI=1S/C4H7NO2/c6-2-3-4(7)1-5-3/h2-5,7H,1H2/t3-,4-/m0/s1","InChI=1S/C4H5NO2.H2/c6-2-3-4(7)1-5-3;/h2-5,7H;1H/t3-,4-;/m0./s1",73.39416,64.73331999999999,
11262,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[N:4]([H:12])[C@:5]1([C:6](=[O:7])[H:14])[H:13])[H:8],[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[N:4]([H:12])[C:5]([H:13])=[C:6]([H:14])[O:7]1)[H:8],"InChI=1S/C4H7NO2/c6-2-3-4(7)1-5-3/h2-5,7H,1H2/t3-,4-/m0/s1","InChI=1S/C4H7NO2/c6-4-3-5-1-2-7-4/h1-2,4-6H,3H2/t4-/m1/s1",40.387190000000004,-13.426329999999998,ketoenol
11263,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[N:4]([H:12])[C@:5]1([C:6](=[O:7])[H:14])[H:13])[H:8],[O:1]=[C:2]([C:5]([N:4]([C:3]([H:8])([H:10])[H:11])[H:12])([C:6](=[O:7])[H:14])[H:13])[H:9],"InChI=1S/C4H7NO2/c6-2-3-4(7)1-5-3/h2-5,7H,1H2/t3-,4-/m0/s1","InChI=1S/C4H7NO2/c1-5-4(2-6)3-7/h2-5H,1H3",67.85238000000001,-9.619439999999999,
11264,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[N:4]([H:12])[C@:5]1([C:6](=[O:7])[H:14])[H:13])[H:8],[C:3](=[N:4][H:12])([H:10])[H:11].[O:1](/[C:2](=[C:5](/[C:6](=[O:7])[H:14])[H:13])[H:9])[H:8],"InChI=1S/C4H7NO2/c6-2-3-4(7)1-5-3/h2-5,7H,1H2/t3-,4-/m0/s1","InChI=1S/C3H4O2.CH3N/c4-2-1-3-5;1-2/h1-4H;2H,1H2/b2-1+;",51.31668,-0.12307,
11265,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[N:4]([H:12])[C@:5]1([C:6](=[O:7])[H:14])[H:13])[H:8],[O:1]([C+:2]([C@@:5]([N:4]([C-:3]([H:10])[H:11])[H:12])([C:6](=[O:7])[H:14])[H:13])[H:9])[H:8],"InChI=1S/C4H7NO2/c6-2-3-4(7)1-5-3/h2-5,7H,1H2/t3-,4-/m0/s1","InChI=1S/C4H7NO2/c1-5-4(2-6)3-7/h2-6H,1H2/t4-/m1/s1",50.9459,46.9329,
11266,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[N:4]([H:12])[C@:5]1([C:6](=[O:7])[H:14])[H:13])[H:8],[O:1]([C@:2]1([H:9])[C@@:5]2([H:13])[N:4]([H:12])[C:3]([H:10])([H:11])[O:7][C@@:6]12[H:14])[H:8],"InChI=1S/C4H7NO2/c6-2-3-4(7)1-5-3/h2-5,7H,1H2/t3-,4-/m0/s1","InChI=1S/C4H7NO2/c6-3-2-4(3)7-1-5-2/h2-6H,1H2/t2-,3-,4-/m1/s1",53.7194,12.61862,
11267,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[N:4]([H:12])[C@:5]1([C:6](=[O:7])[H:14])[H:13])[H:8],[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[N:4]([H:12])/[C:5]1=[C:6](/[O:7][H:13])[H:14])[H:8],"InChI=1S/C4H7NO2/c6-2-3-4(7)1-5-3/h2-5,7H,1H2/t3-,4-/m0/s1","InChI=1S/C4H7NO2/c6-2-3-4(7)1-5-3/h2,4-7H,1H2/b3-2+/t4-/m0/s1",64.4096,5.08715,ketoenol
11268,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[N:4]([H:12])[C@:5]1([C:6](=[O:7])[H:14])[H:13])[H:8],[H:11][H:12].[O:1]([C@@:2]1([H:9])[C:3]([H:10])=[N:4][C@:5]1([C:6](=[O:7])[H:14])[H:13])[H:8],"InChI=1S/C4H7NO2/c6-2-3-4(7)1-5-3/h2-5,7H,1H2/t3-,4-/m0/s1","InChI=1S/C4H5NO2.H2/c6-2-3-4(7)1-5-3;/h1-4,7H;1H/t3-,4-;/m0./s1",92.84489,31.098309999999998,
11269,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[N:4]([H:12])[C@:5]1([C:6](=[O:7])[H:14])[H:13])[H:8],[O:1]([C@@:2](/[C:3](=[N:4]/[H:12])[H:11])(/[C:5](=[C:6](\[O:7][H:10])[H:14])[H:13])[H:9])[H:8],"InChI=1S/C4H7NO2/c6-2-3-4(7)1-5-3/h2-5,7H,1H2/t3-,4-/m0/s1","InChI=1S/C4H7NO2/c5-3-4(7)1-2-6/h1-7H/b2-1-,5-3+/t4-/m1/s1",53.75134,-10.04914,
11270,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[N:4]([H:12])[C@:5]1([C:6](=[O:7])[H:14])[H:13])[H:8],[O:1]([C@@:2]([C:3]([N:4]([C:5][H:13])[H:12])([H:10])[H:11])([C:6](=[O:7])[H:14])[H:9])[H:8],"InChI=1S/C4H7NO2/c6-2-3-4(7)1-5-3/h2-5,7H,1H2/t3-,4-/m0/s1","InChI=1S/C4H7NO2/c1-5-2-4(7)3-6/h1,3-5,7H,2H2/t4-/m0/s1",65.89281,36.3925,
11271,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[N:4]([H:12])[C@:5]1([C:6](=[O:7])[H:14])[H:13])[H:8],[O:1]([C-:2]1[C:3]([H:10])([H:11])[N+:4]([H:9])([H:12])[C@:5]1([C:6](=[O:7])[H:14])[H:13])[H:8],"InChI=1S/C4H7NO2/c6-2-3-4(7)1-5-3/h2-5,7H,1H2/t3-,4-/m0/s1","InChI=1S/C4H6NO2/c6-2-3-4(7)1-5-3/h2-3,5,7H,1H2/q-1/p+1/t3-/m0/s1",71.84695,59.4907,
11272,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[N:4]([H:12])[C@:5]1([C:6](=[O:7])[H:14])[H:13])[H:8],[C:3]1([H:10])([H:11])[N:4]([H:12])[C@:5]1([C:6](=[O:7])[H:14])[H:13].[O:1]([C:2][H:9])[H:8],"InChI=1S/C4H7NO2/c6-2-3-4(7)1-5-3/h2-5,7H,1H2/t3-,4-/m0/s1","InChI=1S/C3H5NO.CH2O/c5-2-3-1-4-3;1-2/h2-4H,1H2;1-2H/t3-;/m1./s1",81.73921999999999,76.98598,
11273,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[N:4]([H:12])[C@:5]1([C:6](=[O:7])[H:14])[H:13])[H:8],[O:1]([C:2][C@@:5]([N:4]([C:3]([H:9])([H:10])[H:11])[H:12])([C:6](=[O:7])[H:14])[H:13])[H:8],"InChI=1S/C4H7NO2/c6-2-3-4(7)1-5-3/h2-5,7H,1H2/t3-,4-/m0/s1","InChI=1S/C4H7NO2/c1-5-4(2-6)3-7/h2,4-5,7H,1H3/t4-/m0/s1",60.03682,44.94082,
11274,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[N:4]([H:12])[C@:5]1([C:6](=[O:7])[H:14])[H:13])[H:8],[O:1]([C:2]([C:3]([N:4]([C+:5]=[C:6]([O-:7])[H:14])[H:12])([H:10])[H:11])([H:9])[H:13])[H:8],"InChI=1S/C4H7NO2/c6-2-3-4(7)1-5-3/h2-5,7H,1H2/t3-,4-/m0/s1","InChI=1S/C4H7NO2/c6-3-1-5-2-4-7/h4-6H,1,3H2",68.26525,24.593,
11275,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[N:4]([H:12])[C@:5]1([C:6](=[O:7])[H:14])[H:13])[H:8],[H:11][H:13].[O:1]([C@@:2]1([H:9])[C+:3]([H:10])[N:4]([H:12])[C:5]1=[C:6]([O-:7])[H:14])[H:8],"InChI=1S/C4H7NO2/c6-2-3-4(7)1-5-3/h2-5,7H,1H2/t3-,4-/m0/s1","InChI=1S/C4H5NO2.H2/c6-2-3-4(7)1-5-3;/h1-2,4-5,7H;1H/t4-;/m0./s1",63.972669999999994,51.86152,
11276,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[N:4]([H:12])[C@:5]1([C:6](=[O:7])[H:14])[H:13])[H:8],[C-:6]#[O+:7].[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[N+:4]([H:12])([H:14])[C-:5]1[H:13])[H:8],"InChI=1S/C4H7NO2/c6-2-3-4(7)1-5-3/h2-5,7H,1H2/t3-,4-/m0/s1","InChI=1S/C3H7NO.CO/c5-3-1-4-2-3;1-2/h1,3,5H,2,4H2;/t3-;/m1./s1",51.89035,60.14219,
11277,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[N:4]([H:12])[C@:5]1([C:6](=[O:7])[H:14])[H:13])[H:8],[O:1]=[C:2]1[C:3]([H:10])([H:11])[N:4]([H:12])[C@:5]1([C:6]([O:7][H:8])([H:9])[H:14])[H:13],"InChI=1S/C4H7NO2/c6-2-3-4(7)1-5-3/h2-5,7H,1H2/t3-,4-/m0/s1","InChI=1S/C4H7NO2/c6-2-3-4(7)1-5-3/h3,5-6H,1-2H2/t3-/m0/s1",86.59251,-4.53728,
11278,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[N:4]([H:12])[C@:5]1([C:6](=[O:7])[H:14])[H:13])[H:8],[H:8][H:9].[O:1]=[C:2]1[C:3]([H:10])([H:11])[N:4]([H:12])[C@:5]1([C:6](=[O:7])[H:14])[H:13],"InChI=1S/C4H7NO2/c6-2-3-4(7)1-5-3/h2-5,7H,1H2/t3-,4-/m0/s1","InChI=1S/C4H5NO2.H2/c6-2-3-4(7)1-5-3;/h2-3,5H,1H2;1H/t3-;/m0./s1",77.32329,12.36825,
11279,[C:1]([C:2]12[C:3]([H:11])([H:12])[C:4]([H:13])([C:5]1([H:14])[H:15])[C:6]([H:16])=[C:7]2[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:14])[C:3]([H:11])([H:12])[C@@:4]([C:5][H:15])([H:13])[C:6]([H:16])=[C:7]1[H:17])([H:8])([H:9])[H:10],"InChI=1S/C7H10/c1-7-3-2-6(4-7)5-7/h2-3,6H,4-5H2,1H3","InChI=1S/C7H10/c1-6-3-4-7(2)5-6/h1,3-4,6-7H,5H2,2H3/t6-,7-/m1/s1",68.28836,57.28422,
11280,[C:1]([C:2]12[C:3]([H:11])([H:12])[C:4]([H:13])([C:5]1([H:14])[H:15])[C:6]([H:16])=[C:7]2[H:17])([H:8])([H:9])[H:10],[C:1]([C:2]1([C:7](=[C:6]([H:13])[H:16])[H:17])[C:3]([H:11])([H:12])[C:4][C:5]1([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C7H10/c1-7-3-2-6(4-7)5-7/h2-3,6H,4-5H2,1H3","InChI=1S/C7H10/c1-3-7(2)5-4-6-7/h3H,1,5-6H2,2H3",70.63339,71.06021,
11281,[C:1]([C:2]12[C:3]([H:11])([H:12])[C:4]([H:13])([C:5]1([H:14])[H:15])[C:6]([H:16])=[C:7]2[H:17])([H:8])([H:9])[H:10],[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[C:5]([H:14])([H:15])[C-:4]=[C:6]([H:16])[C+:7]1[H:17])([H:8])([H:9])[H:10],"InChI=1S/C7H10/c1-7-3-2-6(4-7)5-7/h2-3,6H,4-5H2,1H3","InChI=1S/C7H10/c1-7(2)5-3-4-6-7/h3,5H,6H2,1-2H3",63.84576,37.48125,
11282,[C:1]([C:2]12[C:3]([H:11])([H:12])[C:4]([H:13])([C:5]1([H:14])[H:15])[C:6]([H:16])=[C:7]2[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C@:7]1([H:17])[C:6]([H:16])=[C:4]([H:13])[C:5]2([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C7H10/c1-7-3-2-6(4-7)5-7/h2-3,6H,4-5H2,1H3","InChI=1S/C7H10/c1-7-4-2-3-6(7)5-7/h2-3,6H,4-5H2,1H3/t6-,7+/m0/s1",33.59522,-20.123829999999998,
11283,[C:1]([C:2]12[C:3]([H:11])([H:12])[C:4]([H:13])([C:5]1([H:14])[H:15])[C:6]([H:16])=[C:7]2[H:17])([H:8])([H:9])[H:10],[C:1]([C:2]12[C:3]([H:11])([H:12])[C:4]([H:13])([C:5]1([H:14])[H:15])[C:6][C:7]2([H:16])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C7H10/c1-7-3-2-6(4-7)5-7/h2-3,6H,4-5H2,1H3","InChI=1S/C7H10/c1-7-3-2-6(4-7)5-7/h6H,3-5H2,1H3",64.59154000000001,58.62766,Singlet_Carbene_Intra_Disproportionation
11284,[C:1]([C:2]12[C:3]([H:11])([H:12])[C:4]([H:13])([C:5]1([H:14])[H:15])[C:6]([H:16])=[C:7]2[H:17])([H:8])([H:9])[H:10],[C:1]([C:2]12[C:3]([H:11])([H:12])[C:4]([H:13])([C:5]1([H:14])[H:15])[C:6]([H:16])([H:17])[C:7]2)([H:8])([H:9])[H:10],"InChI=1S/C7H10/c1-7-3-2-6(4-7)5-7/h2-3,6H,4-5H2,1H3","InChI=1S/C7H10/c1-7-3-2-6(4-7)5-7/h6H,2,4-5H2,1H3",64.35894,58.44484,Singlet_Carbene_Intra_Disproportionation
11285,[C:1]([C:2]12[C:3]([H:11])([H:12])[C:4]([H:13])([C:5]1([H:14])[H:15])[C:6]([H:16])=[C:7]2[H:17])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:7]([H:17])[C@:6]2([H:16])[C:3]([H:11])([H:12])[C@:4]2([H:13])[C:5]1([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C7H10/c1-7-3-2-6(4-7)5-7/h2-3,6H,4-5H2,1H3","InChI=1S/C7H10/c1-5-2-6-4-7(6)3-5/h2,6-7H,3-4H2,1H3/t6-,7+/m1/s1",30.201829999999998,-21.59489,
11286,[C:1]([C:2]12[C:3]([H:11])([H:12])[C:4]([H:13])([C:5]1([H:14])[H:15])[C:6]([H:16])=[C:7]2[H:17])([H:8])([H:9])[H:10],[C:1]([C:2]1([C:7](=[C:6])[H:17])[C:3]([H:11])([H:12])[C:4]([H:13])([H:16])[C:5]1([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C7H10/c1-7-3-2-6(4-7)5-7/h2-3,6H,4-5H2,1H3","InChI=1S/C7H10/c1-3-7(2)5-4-6-7/h3H,4-6H2,2H3",63.04725,59.85108,
11287,[C:1]([C:2]12[C:3]([H:11])([H:12])[C:4]([H:13])([C:5]1([H:14])[H:15])[C:6]([H:16])=[C:7]2[H:17])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:7]=[C:6]([H:16])[C@:4]([C:5]([H:14])([H:15])[H:17])([H:13])[C:3]1([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C7H10/c1-7-3-2-6(4-7)5-7/h2-3,6H,4-5H2,1H3","InChI=1S/C7H10/c1-6-3-4-7(2)5-6/h3,6H,5H2,1-2H3/t6-/m1/s1",103.65999000000001,28.688409999999998,
11288,[C:1]([C:2]12[C:3]([H:11])([H:12])[C:4]([H:13])([C:5]1([H:14])[H:15])[C:6]([H:16])=[C:7]2[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:12])[C@:3]2([H:11])[C@:4]([H:13])([C:5]1([H:14])[H:15])[C@@:6]2([C:7][H:17])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C7H10/c1-7-3-2-6(4-7)5-7/h2-3,6H,4-5H2,1H3","InChI=1S/C7H10/c1-4-3-6-5(2)7(4)6/h2,4-7H,3H2,1H3/t4-,5+,6-,7+/m1/s1",102.75426999999999,76.78527,
11289,[C:1]([C:2]12[C:3]([H:11])([H:12])[C:4]([H:13])([C:5]1([H:14])[H:15])[C:6]([H:16])=[C:7]2[H:17])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:17].[C:2]12=[C:7]=[C:6]([H:16])[C:4]([H:13])([C:3]1([H:11])[H:12])[C:5]2([H:14])[H:15],"InChI=1S/C7H10/c1-7-3-2-6(4-7)5-7/h2-3,6H,4-5H2,1H3","InChI=1S/C6H6.CH4/c1-2-6-3-5(1)4-6;/h1,5H,3-4H2;1H4",125.41056999999999,94.99651999999999,
11290,[C:1]([C:2]12[C:3]([H:11])([H:12])[C:4]([H:13])([C:5]1([H:14])[H:15])[C:6]([H:16])=[C:7]2[H:17])([H:8])([H:9])[H:10],[C:1]([C:5]([C@@:4]1([H:13])[C:3]([H:11])([H:12])[C-:2]=[C:7]([H:17])[C+:6]1[H:16])([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C7H10/c1-7-3-2-6(4-7)5-7/h2-3,6H,4-5H2,1H3","InChI=1S/C7H10/c1-2-7-5-3-4-6-7/h3,5,7H,2,6H2,1H3/t7-/m1/s1",103.5525,38.8937,
11291,[C:1]([C:2]12[C:3]([H:11])([H:12])[C:4]([H:13])([C:5]1([H:14])[H:15])[C:6]([H:16])=[C:7]2[H:17])([H:8])([H:9])[H:10],[C:1]([C@:2]1([C:3][H:11])[C:5]([H:14])([H:15])[C:4]([H:12])([H:13])[C:6]([H:16])=[C:7]1[H:17])([H:8])([H:9])[H:10],"InChI=1S/C7H10/c1-7-3-2-6(4-7)5-7/h2-3,6H,4-5H2,1H3","InChI=1S/C7H10/c1-7(2)5-3-4-6-7/h1,3,5H,4,6H2,2H3/t7-/m0/s1",73.2568,56.86824,
11292,[C:1]([O:2][C:3]([C:4]([H:11])([H:12])[H:13])([C:5]([H:14])([H:15])[H:16])[C:6](=[O:7])[H:17])([H:8])([H:9])[H:10],[C:1]([O:2][C@@:6]1([H:17])[C:3]([C:4]([H:11])([H:12])[H:13])([C:5]([H:14])([H:15])[H:16])[O:7]1)([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-5(2,4-6)7-3/h4H,1-3H3","InChI=1S/C5H10O2/c1-5(2)4(6-3)7-5/h4H,1-3H3/t4-/m1/s1",51.74053,12.510539999999999,
11293,[C:1]([O:2][C:3]([C:4]([H:11])([H:12])[H:13])([C:5]([H:14])([H:15])[H:16])[C:6](=[O:7])[H:17])([H:8])([H:9])[H:10],[C:1]([O:2][O:7][C:6](=[C:3]([C:4]([H:11])([H:12])[H:13])[C:5]([H:14])([H:15])[H:16])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-5(2,4-6)7-3/h4H,1-3H3","InChI=1S/C5H10O2/c1-5(2)4-7-6-3/h4H,1-3H3",58.13605,58.66625,ketoenol
11294,[C:1]([O:2][C:3]([C:4]([H:11])([H:12])[H:13])([C:5]([H:14])([H:15])[H:16])[C:6](=[O:7])[H:17])([H:8])([H:9])[H:10],[C:1]([O:2]/[C:3]([C:5]([H:14])([H:15])[H:16])=[C:6](/[O:7][C:4]([H:11])([H:12])[H:13])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-5(2,4-6)7-3/h4H,1-3H3","InChI=1S/C5H10O2/c1-5(7-3)4-6-2/h4H,1-3H3/b5-4+",79.03285,17.07166,ketoenol
11295,[C:1]([O:2][C:3]([C:4]([H:11])([H:12])[H:13])([C:5]([H:14])([H:15])[H:16])[C:6](=[O:7])[H:17])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]([C:4]([H:11])([H:12])[H:13])([C:5]([H:14])([H:15])[H:16])[C:6][O:7][H:17])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-5(2,4-6)7-3/h4H,1-3H3","InChI=1S/C5H10O2/c1-5(2,4-6)7-3/h6H,1-3H3",81.57831,56.4258,
11296,[C:1]([O:2][C:3]([C:4]([H:11])([H:12])[H:13])([C:5]([H:14])([H:15])[H:16])[C:6](=[O:7])[H:17])([H:8])([H:9])[H:10],[C:1]([O:2][C:3](=[C:4]([H:11])[H:13])[C:5]([C:6](=[O:7])[H:17])([H:15])[H:16])([H:8])([H:9])[H:10].[H:12][H:14],"InChI=1S/C5H10O2/c1-5(2,4-6)7-3/h4H,1-3H3","InChI=1S/C5H8O2.H2/c1-5(7-2)3-4-6;/h4H,1,3H2,2H3;1H",94.83219,25.147779999999997,
11297,[C:1]([O:2][C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])([H:8])([H:9])[H:10],[C:1]([O:2][C@@:3]1([H:11])[C:4]([H:12])=[C:5]([H:14])[C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])([H:8])([H:9])[H:10].[H:13][H:15],"InChI=1S/C6H12O/c1-5-3-4-6(5)7-2/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C6H10O.H2/c1-5-3-4-6(5)7-2;/h3-6H,1-2H3;1H/t5-,6+;/m1./s1",115.20051000000001,34.83084,
11298,[C:1]([O:2][C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])([H:8])([H:9])[H:10],[C:1]([O:2][C@@:3]([C:4]([C:5][H:15])([H:12])[H:13])([C:6]([C:7]([H:17])([H:18])[H:19])([H:14])[H:16])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-5-3-4-6(5)7-2/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C6H12O/c1-4-6(5-2)7-3/h1,6H,4-5H2,2-3H3/t6-/m0/s1",76.32706999999999,78.92742,
11299,[C:1]([O:2][C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])([H:8])([H:9])[H:10],[C:1]([O+:2]=[C-:3][C@@:6]([C:5]([C:4]([H:11])([H:12])[H:13])([H:14])[H:15])([C:7]([H:17])([H:18])[H:19])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-5-3-4-6(5)7-2/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C6H12O/c1-4-6(2)5-7-3/h6H,4H2,1-3H3/t6-/m1/s1",57.76596,38.50168,
11300,[C:1]([O:2][C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])([H:8])([H:9])[H:10],[C:1]([O:2]/[C:3](=[C:6](/[C:7]([H:17])([H:18])[H:19])[H:16])[H:11])([H:8])([H:9])[H:10].[C:4](=[C:5]([H:14])[H:15])([H:12])[H:13],"InChI=1S/C6H12O/c1-5-3-4-6(5)7-2/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C4H8O.C2H4/c1-3-4-5-2;1-2/h3-4H,1-2H3;1-2H2/b4-3+;",68.79992,16.98815,
11301,[C:1]([O:2][C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])([H:8])([H:9])[H:10],[C:1]([O:2][C@@:3]([C:4]([H:12])([H:13])[H:15])([C@@:6]([C:5][H:14])([C:7]([H:17])([H:18])[H:19])[H:16])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-5-3-4-6(5)7-2/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C6H12O/c1-5(2)6(3)7-4/h1,5-6H,2-4H3/t5-,6-/m0/s1",78.75265,78.89664,
11302,[C:1]([O:2][C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])([H:8])([H:9])[H:10],[C-:1]([O+:2]=[C:3]1[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])([H:8])[H:9].[H:10][H:11],"InChI=1S/C6H12O/c1-5-3-4-6(5)7-2/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C6H10O.H2/c1-5-3-4-6(5)7-2;/h5H,2-4H2,1H3;1H/t5-;/m1./s1",65.97565999999999,70.01293000000001,
11303,[C:1]([O:2][C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])([H:8])([H:9])[H:10],[C:1]([O+:2]=[C-:3][H:11])([H:8])([H:9])[H:10].[C:4]1([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]1([C:7]([H:17])([H:18])[H:19])[H:16],"InChI=1S/C6H12O/c1-5-3-4-6(5)7-2/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C4H8.C2H4O/c1-4-2-3-4;1-3-2/h4H,2-3H2,1H3;1H,2H3",94.60695,74.66441999999999,
11304,[C:1]([O:2][C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])([H:8])([H:9])[H:10],[C:1]([O:2][C@@:6]([C:3]1([H:11])[C:4]([H:12])([H:13])[C:5]1([H:14])[H:15])([C:7]([H:17])([H:18])[H:19])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-5-3-4-6(5)7-2/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C6H12O/c1-5(7-2)6-3-4-6/h5-6H,3-4H2,1-2H3/t5-/m1/s1",74.02265,4.23961,
11305,[C:1]([O:2][C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])([H:8])([H:9])[H:10],[C-:1]([O+:2]=[C:3]([C@@:6]([C:5]([C:4]([H:10])([H:12])[H:13])([H:14])[H:15])([C:7]([H:17])([H:18])[H:19])[H:16])[H:11])([H:8])[H:9],"InChI=1S/C6H12O/c1-5-3-4-6(5)7-2/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C6H12O/c1-4-6(2)5-7-3/h5-6H,3-4H2,1-2H3/t6-/m1/s1",68.75635,40.41179,
11306,[C:1]([O:2][C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])([H:8])([H:9])[H:10],[C:1]([O:2][C:4]([C@@:3]1([H:11])[C:5]([H:14])([H:15])[C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])([H:12])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-5-3-4-6(5)7-2/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C6H12O/c1-5-3-6(5)4-7-2/h5-6H,3-4H2,1-2H3/t5-,6-/m1/s1",76.6864,4.7862,
11307,[C:1]([O:2][C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])([H:8])([H:9])[H:10],[C:1]([O:2][C@@:3]([C:4]([C:7]([H:17])([H:18])[H:19])([H:12])[H:13])([C:6](=[C:5]([H:14])[H:15])[H:16])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-5-3-4-6(5)7-2/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C6H12O/c1-4-6(5-2)7-3/h4,6H,1,5H2,2-3H3/t6-/m1/s1",92.96733,-1.46246,
11308,[C:1]([O:2][C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:12].[O:2]=[C:3]([C@:4]1([H:13])[C:5]([H:14])([H:15])[C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])[H:11],"InChI=1S/C6H12O/c1-5-3-4-6(5)7-2/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C5H8O.CH4/c1-4-2-5(4)3-6;/h3-5H,2H2,1H3;1H4/t4-,5+;/m1./s1",83.60692,-6.615139999999999,
11309,[C:1]([O:2][C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])([H:8])([H:9])[H:10],[C:1]([O:2][C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:15])=[C:6]1[C:7]([H:17])([H:18])[H:19])([H:8])([H:9])[H:10].[H:14][H:16],"InChI=1S/C6H12O/c1-5-3-4-6(5)7-2/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C6H10O.H2/c1-5-3-4-6(5)7-2;/h3,6H,4H2,1-2H3;1H/t6-;/m0./s1",110.55391000000002,30.38669,
11310,[C:1]([O:2][C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])([H:8])([H:9])[H:10],[C:1]([O:2][C:3](=[C:4]([H:12])[H:13])[H:11])([H:8])([H:9])[H:10].[C:5](=[C:6]([C:7]([H:17])([H:18])[H:19])[H:16])([H:14])[H:15],"InChI=1S/C6H12O/c1-5-3-4-6(5)7-2/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C3H6O.C3H6/c1-3-4-2;1-3-2/h3H,1H2,2H3;3H,1H2,2H3",79.7553,12.59105,
11311,[C:1]([O:2][C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])([H:8])([H:9])[H:10],[C:1]([O:2][C:7]([H:17])([H:18])[H:19])([H:8])([H:9])[H:10].[C:3]1([H:11])=[C:6]([H:16])[C:5]([H:14])([H:15])[C:4]1([H:12])[H:13],"InChI=1S/C6H12O/c1-5-3-4-6(5)7-2/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C4H6.C2H6O/c1-2-4-3-1;1-3-2/h1-2H,3-4H2;1-2H3",94.40129,30.722759999999997,
11312,[C:1]([O:2][C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:19].[O:2]=[C:3]([C:4]([C:5]([C:6](=[C:7]([H:17])[H:18])[H:16])([H:14])[H:15])([H:12])[H:13])[H:11],"InChI=1S/C6H12O/c1-5-3-4-6(5)7-2/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C5H8O.CH4/c1-2-3-4-5-6;/h2,5H,1,3-4H2;1H4",68.01760999999999,-5.98068,
11313,[C:1]([O:2][C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]1=[C:4]([H:13])[C:5]([H:14])([H:15])[C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])([H:8])([H:9])[H:10].[H:11][H:12],"InChI=1S/C6H12O/c1-5-3-4-6(5)7-2/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C6H10O.H2/c1-5-3-4-6(5)7-2;/h4-5H,3H2,1-2H3;1H/t5-;/m1./s1",100.42685999999999,25.28731,
11314,[C:1]([O:2][C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])([H:8])([H:9])[H:10],[C:1]([O:2][C@@:3]([C:4][H:13])([C:6]([C:5]([H:12])([H:14])[H:15])([C:7]([H:17])([H:18])[H:19])[H:16])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-5-3-4-6(5)7-2/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C6H12O/c1-5(2)6(3)7-4/h3,5-6H,1-2,4H3/t6-/m0/s1",75.92005,78.16288,
11315,[C:1]([O:2][C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]([C@@:6]([C:5]([C:4][H:13])([H:14])[H:15])([C:7]([H:17])([H:18])[H:19])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-5-3-4-6(5)7-2/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C6H12O/c1-4-6(2)5-7-3/h1,6H,4-5H2,2-3H3/t6-/m1/s1",95.73394,80.4176,
11316,[C:1]([O:2][C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])([H:8])([H:9])[H:10],[C:1]([O+:2]=[C:3]1[C:4]([H:12])([H:13])[C-:5]([H:14])[C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])([H:8])([H:9])[H:10].[H:11][H:15],"InChI=1S/C6H12O/c1-5-3-4-6(5)7-2/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C6H10O.H2/c1-5-3-4-6(5)7-2;/h3,5H,4H2,1-2H3;1H/t5-;/m1./s1",92.17428000000001,92.43070999999999,
11317,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])=[C:7]1[H:17])[H:8],[C:6](#[C:7][H:17])[H:16].[O:1]=[C:2]([C:3]([C:4]([C:5]([H:8])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])[H:9],"InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h2,4,6-7H,1,3,5H2/t6-/m1/s1","InChI=1S/C4H8O.C2H2/c1-2-3-4-5;1-2/h4H,2-3H2,1H3;1-2H",99.39124,48.04622,
11318,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])=[C:7]1[H:17])[H:8],[C:4](=[C:5]([H:14])[H:15])([H:12])[H:13].[C:6](#[C:7][H:17])[H:16].[O:1]([C:2](=[C:3]([H:10])[H:11])[H:9])[H:8],"InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h2,4,6-7H,1,3,5H2/t6-/m1/s1","InChI=1S/C2H4O.C2H4.C2H2/c1-2-3;2*1-2/h2-3H,1H2;1-2H2;1-2H",110.50368999999999,78.10412,
11319,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])=[C:7]1[H:17])[H:8],[C:3](=[C:4]([H:12])[H:13])([H:10])[H:11].[O:1](/[C:2](=[C:7](/[C:6](=[C:5]([H:14])[H:15])[H:16])[H:17])[H:9])[H:8],"InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h2,4,6-7H,1,3,5H2/t6-/m1/s1","InChI=1S/C4H6O.C2H4/c1-2-3-4-5;1-2/h2-5H,1H2;1-2H2/b4-3+;",46.372440000000005,35.80901,Diels_alder_addition
11320,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])=[C:7]1[H:17])[H:8],[O:1]1[C@@:2]2([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]([H:8])([H:16])[C@@:7]12[H:17],"InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h2,4,6-7H,1,3,5H2/t6-/m1/s1","InChI=1S/C6H10O/c1-2-4-6-5(3-1)7-6/h5-6H,1-4H2/t5-,6+",59.1495,12.317269999999999,
11321,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])=[C:7]1[H:17])[H:8],[O:1]([C+:2]1[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C-:6]([H:16])[C:7]1([H:9])[H:17])[H:8],"InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h2,4,6-7H,1,3,5H2/t6-/m1/s1","InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h2,7H,1,3-5H2",66.61383000000001,64.35299,
11322,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])=[C:7]1[H:17])[H:8],[H:9][H:14].[O:1]([C:2]1=[C:7]([H:17])[C:6]([H:16])=[C:5]([H:15])[C:4]([H:12])([H:13])[C:3]1([H:10])[H:11])[H:8],"InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h2,4,6-7H,1,3,5H2/t6-/m1/s1","InChI=1S/C6H8O.H2/c7-6-4-2-1-3-5-6;/h1-2,4,7H,3,5H2;1H",47.28914,20.25437,
11323,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])=[C:7]1[H:17])[H:8],[H:8][H:17].[O:1]=[C:2]([C:7]1=[C:6]([H:16])[C:5]([H:14])([H:15])[C:4]([H:12])([H:13])[C:3]1([H:10])[H:11])[H:9],"InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h2,4,6-7H,1,3,5H2/t6-/m1/s1","InChI=1S/C6H8O.H2/c7-5-6-3-1-2-4-6;/h3,5H,1-2,4H2;1H",88.3305,17.94279,
11324,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])=[C:7]1[H:17])[H:8],[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6][C:7]1([H:16])[H:17])[H:8],"InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h2,4,6-7H,1,3,5H2/t6-/m1/s1","InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h6-7H,1-2,4-5H2/t6-/m0/s1",74.71417,76.77625,Singlet_Carbene_Intra_Disproportionation
11325,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])=[C:7]1[H:17])[H:8],[O:1](/[C:2](=[C:7](/[C:6]1([H:16])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]1([H:14])[H:15])[H:17])[H:9])[H:8],"InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h2,4,6-7H,1,3,5H2/t6-/m1/s1","InChI=1S/C6H10O/c7-5-4-6-2-1-3-6/h4-7H,1-3H2/b5-4+",77.17352,22.1185,
11326,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])=[C:7]1[H:17])[H:8],[O:1]([C:4]([C:5](/[C:6](=[C:7](\[C:2](=[C:3]([H:10])[H:11])[H:9])[H:17])[H:16])([H:14])[H:15])([H:12])[H:13])[H:8],"InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h2,4,6-7H,1,3,5H2/t6-/m1/s1","InChI=1S/C6H10O/c1-2-3-4-5-6-7/h2-4,7H,1,5-6H2/b4-3-",94.98335,20.5081,
11327,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])=[C:7]1[H:17])[H:8],[O:1]([C:2]1=[C:7]([H:17])[C:6]([H:9])([H:16])[C:5]([H:14])([H:15])[C:4]([H:12])([H:13])[C:3]1([H:10])[H:11])[H:8],"InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h2,4,6-7H,1,3,5H2/t6-/m1/s1","InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h4,7H,1-3,5H2",68.2407,-1.0095299999999998,
11328,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])=[C:7]1[H:17])[H:8],[O:1](/[C:2]([C:3]([C:4]([C:5]([H:9])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])=[C:7](/[C:6][H:16])[H:17])[H:8],"InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h2,4,6-7H,1,3,5H2/t6-/m1/s1","InChI=1S/C6H10O/c1-3-5-6(7)4-2/h2,4,7H,3,5H2,1H3/b6-4+",106.75936000000002,71.5487,
11329,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])=[C:7]1[H:17])[H:8],[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C@@:7]1([C:6](=[C:5]([H:14])[H:15])[H:16])[H:17])[H:8],"InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h2,4,6-7H,1,3,5H2/t6-/m1/s1","InChI=1S/C6H10O/c1-2-5-3-4-6(5)7/h2,5-7H,1,3-4H2/t5-,6-/m0/s1",85.23042,26.099239999999998,
11330,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])=[C:7]1[H:17])[H:8],[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]([H:15])=[C:6]([H:16])[C:7]1([H:14])[H:17])[H:8],"InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h2,4,6-7H,1,3,5H2/t6-/m1/s1","InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-2,6-7H,3-5H2/t6-/m1/s1",67.90100000000001,-0.62138,
11331,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])=[C:7]1[H:17])[H:8],[H:8][H:9].[O:1]=[C:2]1[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])=[C:7]1[H:17],"InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h2,4,6-7H,1,3,5H2/t6-/m1/s1","InChI=1S/C6H8O.H2/c7-6-4-2-1-3-5-6;/h2,4H,1,3,5H2;1H",72.21629,10.675880000000001,
11332,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])=[C:7]1[H:17])[H:8],[O:1]([C:2](=[C:3]([H:10])[H:11])/[C:7](=[C:6](\[C:5]([C:4]([H:9])([H:12])[H:13])([H:14])[H:15])[H:16])[H:17])[H:8],"InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h2,4,6-7H,1,3,5H2/t6-/m1/s1","InChI=1S/C6H10O/c1-3-4-5-6(2)7/h4-5,7H,2-3H2,1H3/b5-4-",96.19089,11.03473,
11333,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])=[C:7]1[H:17])[H:8],[O:1]([C:2](/[C:7](=[C:6](\[C:5]([C:4]([C:3][H:10])([H:12])[H:13])([H:14])[H:15])[H:16])[H:17])([H:9])[H:11])[H:8],"InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h2,4,6-7H,1,3,5H2/t6-/m1/s1","InChI=1S/C6H10O/c1-2-3-4-5-6-7/h1,4-5,7H,2-3,6H2/b5-4-",100.96504,99.07505,
11334,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])=[C:7]1[H:17])[H:8],[H:13][H:14].[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])=[C:5]([H:15])[C:6]([H:16])=[C:7]1[H:17])[H:8],"InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h2,4,6-7H,1,3,5H2/t6-/m1/s1","InChI=1S/C6H8O.H2/c7-6-4-2-1-3-5-6;/h1-4,6-7H,5H2;1H/t6-;/m1./s1",103.36086,83.55614,
11335,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])=[C:7]1[H:17])[H:8],[C:2]1([H:9])=[C:7]=[C:6]([H:16])[C:5]([H:14])([H:15])[C:4]([H:12])([H:13])[C:3]1([H:10])[H:11].[O:1]([H:8])[H:17],"InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h2,4,6-7H,1,3,5H2/t6-/m1/s1","InChI=1S/C6H8.H2O/c1-2-4-6-5-3-1;/h1,5H,2,4,6H2;1H2",77.14452,50.50376,
11336,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])=[C:7]1[H:17])[H:8],[H:8][H:15].[O:1]1[C@@:2]2([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])=[C:6]([H:16])[C@@:7]12[H:17],"InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h2,4,6-7H,1,3,5H2/t6-/m1/s1","InChI=1S/C6H8O.H2/c1-2-4-6-5(3-1)7-6;/h1,3,5-6H,2,4H2;1H/t5-,6+;/m1./s1",70.48784,39.98867,
11337,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])=[C:7]1[H:17])[H:8],[H:12][H:17].[O:1]([C:2](=[C:7]=[C:6]([C:5]([C:4](=[C:3]([H:10])[H:11])[H:13])([H:14])[H:15])[H:16])[H:9])[H:8],"InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h2,4,6-7H,1,3,5H2/t6-/m1/s1","InChI=1S/C6H8O.H2/c1-2-3-4-5-6-7;/h2,4,6-7H,1,3H2;1H",116.78849,56.8029,
11338,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])=[C:7]1[H:17])[H:8],[H:10][H:13].[O:1]([C:2]1([H:9])[C:3]([H:11])=[C:4]([H:12])[C:5]([H:14])([H:15])[C:6]([H:16])=[C:7]1[H:17])[H:8],"InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h2,4,6-7H,1,3,5H2/t6-/m1/s1","InChI=1S/C6H8O.H2/c7-6-4-2-1-3-5-6;/h2-7H,1H2;1H",109.69277,26.79737,
11339,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])=[C:7]1[H:17])[H:8],[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C@@:7]1([C:6][H:16])[H:17])[H:8],"InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h2,4,6-7H,1,3,5H2/t6-/m1/s1","InChI=1S/C6H10O/c1-5-3-2-4-6(5)7/h1,5-7H,2-4H2/t5-,6-/m0/s1",92.47932,85.12128,
11340,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])=[C:7]1[H:17])[H:8],[H:15][H:17].[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C+:5]([H:14])[C:6]([H:16])=[C-:7]1)[H:8],"InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h2,4,6-7H,1,3,5H2/t6-/m1/s1","InChI=1S/C6H8O.H2/c7-6-4-2-1-3-5-6;/h1-2,6-7H,3,5H2;1H/t6-;/m1./s1",103.32221,91.25246,
11341,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])=[C:7]1[H:17])[H:8],[O:1]([C:2]1([H:9])[C:3]([H:10])([H:11])[C-:4]([H:12])[C:5]([H:14])([H:15])[C+:6]([H:16])[C:7]1([H:13])[H:17])[H:8],"InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h2,4,6-7H,1,3,5H2/t6-/m1/s1","InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h2-3,6-7H,1,4-5H2",71.07531999999999,74.08808,
11342,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])=[C:7]1[H:17])[H:8],[H:8][H:10].[O:1]=[C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])=[C:7]1[H:17])[H:9],"InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h2,4,6-7H,1,3,5H2/t6-/m1/s1","InChI=1S/C6H8O.H2/c7-5-6-3-1-2-4-6;/h1,3,5-6H,2,4H2;1H/t6-;/m1./s1",84.94341999999999,24.49001,
11343,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])=[C:7]1[H:17])[H:8],[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[C:7]1)[H:8],"InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h2,4,6-7H,1,3,5H2/t6-/m1/s1","InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h6-7H,1-4H2/t6-/m0/s1",77.28631,81.85547,Singlet_Carbene_Intra_Disproportionation
11344,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])=[C:7]1[H:17])[H:8],[H:14][H:16].[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]([H:15])=[C:6]=[C:7]1[H:17])[H:8],"InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h2,4,6-7H,1,3,5H2/t6-/m1/s1","InChI=1S/C6H8O.H2/c7-6-4-2-1-3-5-6;/h1,5-7H,2,4H2;1H/t6-;/m0./s1",91.96168,67.51033000000001,
11345,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])=[C:7]1[H:17])[H:8],[O:1](/[C:2]([C:3]([C:4]([H:9])([H:12])[H:13])([H:10])[H:11])=[C:7](/[C:6](=[C:5]([H:14])[H:15])[H:16])[H:17])[H:8],"InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h2,4,6-7H,1,3,5H2/t6-/m1/s1","InChI=1S/C6H10O/c1-3-5-6(7)4-2/h3,5,7H,1,4H2,2H3/b6-5+",91.82195,8.37296,
11346,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])=[C:7]1[H:17])[H:8],[O:1]([C:2]([C:3]([C:4]([C:5]([C:6](=[C:7])[H:16])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:9])[H:17])[H:8],"InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h2,4,6-7H,1,3,5H2/t6-/m1/s1","InChI=1S/C6H10O/c1-2-3-4-5-6-7/h2,7H,3-6H2",80.98303,85.00745,
11347,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])=[C:7]1[H:17])[H:8],[O:1](/[C:2](=[C:7](/[C@:6]1([H:16])[C@@:4]([C:3]([H:10])([H:11])[H:13])([H:12])[C:5]1([H:14])[H:15])[H:17])[H:9])[H:8],"InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h2,4,6-7H,1,3,5H2/t6-/m1/s1","InChI=1S/C6H10O/c1-5-4-6(5)2-3-7/h2-3,5-7H,4H2,1H3/b3-2+/t5-,6+/m1/s1",84.03336,20.0507,
11348,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])=[C:7]1[H:17])[H:8],[C:2]1([H:9])=[C:7]([H:17])[C:6]([H:16])=[C:5]([H:14])[C:4]([H:12])([H:13])[C:3]1([H:10])[H:11].[O:1]([H:8])[H:15],"InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h2,4,6-7H,1,3,5H2/t6-/m1/s1","InChI=1S/C6H8.H2O/c1-2-4-6-5-3-1;/h1-4H,5-6H2;1H2",51.234429999999996,10.04901,"1,3_Insertion_ROR"
11349,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C@@:3]3([H:11])[O:4][C:5]([H:12])([H:13])[C@:6]1([H:14])[C@@:7]23[H:15],[C:1]1([H:8])([H:9])[C@:2]2([H:10])[C:3]([H:11])([H:15])[O:4][C:5]([H:12])([H:13])[C@@:6]1([H:14])[C:7]2,"InChI=1S/C6H8O/c1-3-2-7-6-4(1)5(3)6/h3-6H,1-2H2/t3-,4-,5+,6-/m1/s1","InChI=1S/C6H8O/c1-5-2-6(1)4-7-3-5/h5-6H,1,3-4H2/t5-,6+",64.21406999999999,60.997519999999994,
11350,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C@@:3]3([H:11])[O:4][C:5]([H:12])([H:13])[C@:6]1([H:14])[C@@:7]23[H:15],[C:1]1([H:8])([H:9])[O:4][C:5]([H:12])([H:13])[C:6]1([C:7]1([H:15])[C:2]([H:10])=[C:3]1[H:11])[H:14],"InChI=1S/C6H8O/c1-3-2-7-6-4(1)5(3)6/h3-6H,1-2H2/t3-,4-,5+,6-/m1/s1","InChI=1S/C6H8O/c1-2-5(1)6-3-7-4-6/h1-2,5-6H,3-4H2",97.20976,34.83143,
11351,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C@@:3]3([H:11])[O:4][C:5]([H:12])([H:13])[C@:6]1([H:14])[C@@:7]23[H:15],[C:1]1([H:8])([H:9])[C:2][C@@:7]2([H:15])[C:3]([H:10])([H:11])[O:4][C:5]([H:12])([H:13])[C@@:6]12[H:14],"InChI=1S/C6H8O/c1-3-2-7-6-4(1)5(3)6/h3-6H,1-2H2/t3-,4-,5+,6-/m1/s1","InChI=1S/C6H8O/c1-2-6-4-7-3-5(1)6/h5-6H,1,3-4H2/t5-,6+/m1/s1",61.72224,60.13972,
11352,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C@@:3]3([H:11])[O:4][C:5]([H:12])([H:13])[C@:6]1([H:14])[C@@:7]23[H:15],[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C-:3]=[O+:4][C:5]([H:12])([H:13])[C@:6]1([H:14])[C:7]2([H:11])[H:15],"InChI=1S/C6H8O/c1-3-2-7-6-4(1)5(3)6/h3-6H,1-2H2/t3-,4-,5+,6-/m1/s1","InChI=1S/C6H8O/c1-5-2-6(1)4-7-3-5/h5-6H,1-3H2/t5-,6+",56.12441,31.663109999999996,
11353,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C@@:3]3([H:11])[O:4][C:5]([H:12])([H:13])[C@:6]1([H:14])[C@@:7]23[H:15],[C:1]([C:2]1([H:10])[C:3]([H:11])=[C:7]1[H:15])([C:6]([C:5](=[O:4])[H:13])([H:12])[H:14])([H:8])[H:9],"InChI=1S/C6H8O/c1-3-2-7-6-4(1)5(3)6/h3-6H,1-2H2/t3-,4-,5+,6-/m1/s1","InChI=1S/C6H8O/c7-5-1-2-6-3-4-6/h3-6H,1-2H2",69.63113,9.84021,
11354,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C@@:3]3([H:11])[O:4][C:5]([H:12])([H:13])[C@:6]1([H:14])[C@@:7]23[H:15],[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C@@:7]2([H:15])[C-:3]=[O+:4][C:5]([H:12])([H:13])[C@@:6]12[H:14],"InChI=1S/C6H8O/c1-3-2-7-6-4(1)5(3)6/h3-6H,1-2H2/t3-,4-,5+,6-/m1/s1","InChI=1S/C6H8O/c1-2-6-4-7-3-5(1)6/h5-6H,1-3H2/t5-,6+/m1/s1",46.14516,23.40883,
11355,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C@@:3]3([H:11])[O:4][C:5]([H:12])([H:13])[C@:6]1([H:14])[C@@:7]23[H:15],[C:1]1([H:8])([H:9])[C@:2]2([H:10])[C-:3]([H:11])[O+:4]=[C:5]([H:12])[C@@:6]1([H:14])[C:7]2([H:13])[H:15],"InChI=1S/C6H8O/c1-3-2-7-6-4(1)5(3)6/h3-6H,1-2H2/t3-,4-,5+,6-/m1/s1","InChI=1S/C6H8O/c1-5-2-6(1)4-7-3-5/h3-6H,1-2H2/t5-,6+",78.93817,30.326009999999997,
11356,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C@@:3]3([H:11])[O:4][C:5]([H:12])([H:13])[C@:6]1([H:14])[C@@:7]23[H:15],[C:1]1([H:8])([H:9])[C@:6]2([H:14])[C:5]([H:12])([H:13])[O:4][C@@:3]([C:2][H:10])([H:11])[C@:7]12[H:15],"InChI=1S/C6H8O/c1-3-2-7-6-4(1)5(3)6/h3-6H,1-2H2/t3-,4-,5+,6-/m1/s1","InChI=1S/C6H8O/c1-4-6-2-5(6)3-7-4/h1,4-6H,2-3H2/t4-,5-,6+/m1/s1",70.88538,69.46134,
11357,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C@@:3]3([H:11])[O:4][C:5]([H:12])([H:13])[C@:6]1([H:14])[C@@:7]23[H:15],[C:1]1([H:8])([H:9])[C:2][C@@:3]2([H:11])[O:4][C:5]([H:12])([H:13])[C@:6]1([H:14])[C:7]2([H:10])[H:15],"InChI=1S/C6H8O/c1-3-2-7-6-4(1)5(3)6/h3-6H,1-2H2/t3-,4-,5+,6-/m1/s1","InChI=1S/C6H8O/c1-2-6-3-5(1)4-7-6/h5-6H,1,3-4H2/t5-,6+/m0/s1",61.9952,44.3433,
11358,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C@@:3]3([H:11])[O:4][C:5]([H:12])([H:13])[C@:6]1([H:14])[C@@:7]23[H:15],[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C@@:3]([H:11])([O:4][C:5]([H:12])([H:13])[C:6]1([H:14])[H:15])[C:7]2,"InChI=1S/C6H8O/c1-3-2-7-6-4(1)5(3)6/h3-6H,1-2H2/t3-,4-,5+,6-/m1/s1","InChI=1S/C6H8O/c1-2-5-4-6(5)7-3-1/h5-6H,1-3H2/t5-,6+/m1/s1",66.67024,66.56331,
11359,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C@@:3]3([H:11])[O:4][C:5]([H:12])([H:13])[C@:6]1([H:14])[C@@:7]23[H:15],[C:1]1([H:8])([H:9])[C:2]([H:10])=[C:3]([H:11])[C:7]([H:15])=[C:6]1[H:14].[O:4]=[C:5]([H:12])[H:13],"InChI=1S/C6H8O/c1-3-2-7-6-4(1)5(3)6/h3-6H,1-2H2/t3-,4-,5+,6-/m1/s1","InChI=1S/C5H6.CH2O/c1-2-4-5-3-1;1-2/h1-4H,5H2;1H2",33.51565,-12.11995,
11360,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C@@:3]3([H:11])[O:4][C:5]([H:12])([H:13])[C@:6]1([H:14])[C@@:7]23[H:15],[C@:1]12([H:9])[C@:2]3([H:10])[C@@:3]1([H:11])[C@:7]3([H:15])[C@:6]2([C:5]([O:4][H:8])([H:12])[H:13])[H:14],"InChI=1S/C6H8O/c1-3-2-7-6-4(1)5(3)6/h3-6H,1-2H2/t3-,4-,5+,6-/m1/s1","InChI=1S/C6H8O/c7-1-2-3-5-4(2)6(3)5/h2-7H,1H2/t2-,3-,4+,5-,6+",97.66543,33.32066,
11361,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C@@:3]3([H:11])[O:4][C:5]([H:12])([H:13])[C@:6]1([H:14])[C@@:7]23[H:15],[C:1]1([H:8])([H:9])[C@:2]([C:3](=[O+:4][C-:5]([H:12])[H:13])[H:11])([H:10])[C:7]([H:15])=[C:6]1[H:14],"InChI=1S/C6H8O/c1-3-2-7-6-4(1)5(3)6/h3-6H,1-2H2/t3-,4-,5+,6-/m1/s1","InChI=1S/C6H8O/c1-7-5-6-3-2-4-6/h2-3,5-6H,1,4H2/t6-/m0/s1",56.94112,50.62317,
11362,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C@@:3]3([H:11])[O:4][C:5]([H:12])([H:13])[C@:6]1([H:14])[C@@:7]23[H:15],[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C@@:3]([H:11])([O:4][C:5]([H:12])([H:13])[C:6]1)[C:7]2([H:14])[H:15],"InChI=1S/C6H8O/c1-3-2-7-6-4(1)5(3)6/h3-6H,1-2H2/t3-,4-,5+,6-/m1/s1","InChI=1S/C6H8O/c1-2-5-4-6(5)7-3-1/h5-6H,2-4H2/t5-,6+/m1/s1",69.32797,60.10464,
11363,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C@@:3]3([H:11])[O:4][C:5]([H:12])([H:13])[C@:6]1([H:14])[C@@:7]23[H:15],[C:1](=[C:2]([C@@:3]1([H:11])[O:4][C:5]([H:12])([H:13])[C:6]([H:14])=[C:7]1[H:15])[H:10])([H:8])[H:9],"InChI=1S/C6H8O/c1-3-2-7-6-4(1)5(3)6/h3-6H,1-2H2/t3-,4-,5+,6-/m1/s1","InChI=1S/C6H8O/c1-2-6-4-3-5-7-6/h2-4,6H,1,5H2/t6-/m1/s1",41.195640000000004,-16.00659,
11364,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C@@:3]3([H:11])[O:4][C:5]([H:12])([H:13])[C@:6]1([H:14])[C@@:7]23[H:15],[C:1]1([H:8])=[C:2]([H:10])[C:7]2=[C:3]([H:11])[O:4][C:5]([H:12])([H:13])[C@@:6]12[H:14].[H:9][H:15],"InChI=1S/C6H8O/c1-3-2-7-6-4(1)5(3)6/h3-6H,1-2H2/t3-,4-,5+,6-/m1/s1","InChI=1S/C6H6O.H2/c1-2-6-4-7-3-5(1)6;/h1-3,6H,4H2;1H/t6-;/m1./s1",93.04134,35.28947,
11365,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C@@:3]3([H:11])[O:4][C:5]([H:12])([H:13])[C@:6]1([H:14])[C@@:7]23[H:15],[C@@:1]12([H:9])[C:2][C@@:3]3([H:11])[O:4][C:5]([H:12])([H:13])[C@:6]1([H:14])[C@@:7]23[H:15].[H:8][H:10],"InChI=1S/C6H8O/c1-3-2-7-6-4(1)5(3)6/h3-6H,1-2H2/t3-,4-,5+,6-/m1/s1","InChI=1S/C6H6O.H2/c1-3-4-2-7-5(1)6(3)4;/h3-6H,2H2;1H/t3-,4+,5-,6-;/m1./s1",89.24557,78.99604000000001,
11366,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C@@:3]3([H:11])[O:4][C:5]([H:12])([H:13])[C@:6]1([H:14])[C@@:7]23[H:15],[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C@:3]([O:4][C:5]([H:12])([H:13])[H:14])([H:11])[C@@:7]2([H:15])[C:6]1,"InChI=1S/C6H8O/c1-3-2-7-6-4(1)5(3)6/h3-6H,1-2H2/t3-,4-,5+,6-/m1/s1","InChI=1S/C6H8O/c1-7-6-4-2-3-5(4)6/h4-6H,2H2,1H3/t4-,5+,6-/m1/s1",75.02651999999999,81.11069,
11367,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C@@:3]3([H:11])[O:4][C:5]([H:12])([H:13])[C@:6]1([H:14])[C@@:7]23[H:15],[C-:1]1([H:8])[C@@:2]2([H:10])[C@:3]([O+:4]=[C:5]([H:12])[H:13])([H:11])[C@@:7]2([H:15])[C:6]1([H:9])[H:14],"InChI=1S/C6H8O/c1-3-2-7-6-4(1)5(3)6/h3-6H,1-2H2/t3-,4-,5+,6-/m1/s1","InChI=1S/C6H8O/c1-7-6-4-2-3-5(4)6/h2,4-6H,1,3H2/t4-,5+,6-/m1/s1",109.18842,81.48564,
11368,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C@@:3]3([H:11])[O:4][C:5]([H:12])([H:13])[C@:6]1([H:14])[C@@:7]23[H:15],[C:1](/[C:2](=[C:7](\[C:3](=[O:4])[H:11])[H:15])[H:10])([C:6](=[C:5]([H:12])[H:13])[H:14])([H:8])[H:9],"InChI=1S/C6H8O/c1-3-2-7-6-4(1)5(3)6/h3-6H,1-2H2/t3-,4-,5+,6-/m1/s1","InChI=1S/C6H8O/c1-2-3-4-5-6-7/h2,4-6H,1,3H2/b5-4-",48.81541,-22.54465,
11369,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C@@:3]3([H:11])[O:4][C:5]([H:12])([H:13])[C@:6]1([H:14])[C@@:7]23[H:15],[C:1]1([H:8])([H:9])[C:2]([H:10])([H:15])[C@@:3]2([H:11])[O:4][C:5]([H:12])([H:13])[C@:6]1([H:14])[C:7]2,"InChI=1S/C6H8O/c1-3-2-7-6-4(1)5(3)6/h3-6H,1-2H2/t3-,4-,5+,6-/m1/s1","InChI=1S/C6H8O/c1-2-6-3-5(1)4-7-6/h5-6H,1-2,4H2/t5-,6+/m0/s1",59.20077,52.67334,
11370,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C@@:3]3([H:11])[O:4][C:5]([H:12])([H:13])[C@:6]1([H:14])[C@@:7]23[H:15],[C:1]1([H:8])([H:9])[C:2]([H:10])([H:15])[C:7]2=[C:3]([H:11])[O:4][C:5]([H:12])([H:13])[C@@:6]12[H:14],"InChI=1S/C6H8O/c1-3-2-7-6-4(1)5(3)6/h3-6H,1-2H2/t3-,4-,5+,6-/m1/s1","InChI=1S/C6H8O/c1-2-6-4-7-3-5(1)6/h3,6H,1-2,4H2/t6-/m1/s1",59.201919999999994,-2.28903,
11371,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C@@:3]3([H:11])[O:4][C:5]([H:12])([H:13])[C@:6]1([H:14])[C@@:7]23[H:15],[C:1](=[C:6]([C:5]([O:4][C:3]1([H:11])[C:2]([H:10])=[C:7]1[H:15])([H:12])[H:13])[H:14])([H:8])[H:9],"InChI=1S/C6H8O/c1-3-2-7-6-4(1)5(3)6/h3-6H,1-2H2/t3-,4-,5+,6-/m1/s1","InChI=1S/C6H8O/c1-2-5-7-6-3-4-6/h2-4,6H,1,5H2",85.31829,27.17688,
11372,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C@@:3]3([H:11])[O:4][C:5]([H:12])([H:13])[C@:6]1([H:14])[C@@:7]23[H:15],[C@@:1]12([H:9])[C@@:2]3([H:10])[C@@:3]([H:11])([O:4][C:5]([H:13])=[C:6]1[H:14])[C@@:7]23[H:15].[H:8][H:12],"InChI=1S/C6H8O/c1-3-2-7-6-4(1)5(3)6/h3-6H,1-2H2/t3-,4-,5+,6-/m1/s1","InChI=1S/C6H6O.H2/c1-2-7-6-4-3(1)5(4)6;/h1-6H;1H/t3-,4+,5-,6+;",92.23586,27.480529999999998,
11373,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C@@:3]3([H:11])[O:4][C:5]([H:12])([H:13])[C@:6]1([H:14])[C@@:7]23[H:15],[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C@@:3]3([H:11])[O+:4]=[C:5]([H:12])[C@:6]1([H:14])[C-:7]23.[H:13][H:15],"InChI=1S/C6H8O/c1-3-2-7-6-4(1)5(3)6/h3-6H,1-2H2/t3-,4-,5+,6-/m1/s1","InChI=1S/C6H6O.H2/c1-3-2-7-6-4(1)5(3)6;/h2-4,6H,1H2;1H/t3-,4-,6-;/m1./s1",95.26505999999999,96.28022,
11374,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C@@:3]3([H:11])[O:4][C:5]([H:12])([H:13])[C@:6]1([H:14])[C@@:7]23[H:15],[C:1]([C@:6]1([H:14])[C:5]([H:12])([H:13])[O:4][C@:3]2([H:11])[C:2]([H:8])([H:10])[C@@:7]21[H:15])[H:9],"InChI=1S/C6H8O/c1-3-2-7-6-4(1)5(3)6/h3-6H,1-2H2/t3-,4-,5+,6-/m1/s1","InChI=1S/C6H8O/c1-4-3-7-6-2-5(4)6/h1,4-6H,2-3H2/t4-,5-,6-/m1/s1",79.24972,73.02126,
11375,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C@@:3]3([H:11])[O:4][C:5]([H:12])([H:13])[C@:6]1([H:14])[C@@:7]23[H:15],[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C@@:6]1([H:14])[C:5]([H:12])([H:13])[O:4][C:3]([H:11])=[C:7]2[H:15],"InChI=1S/C6H8O/c1-3-2-7-6-4(1)5(3)6/h3-6H,1-2H2/t3-,4-,5+,6-/m1/s1","InChI=1S/C6H8O/c1-2-7-4-6-3-5(1)6/h1-2,5-6H,3-4H2/t5-,6+/m0/s1",53.49926,16.10957,
11376,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C@@:3]3([H:11])[O:4][C:5]([H:12])([H:13])[C@:6]1([H:14])[C@@:7]23[H:15],[C:1]1([H:8])([H:9])[C@:2]2([H:10])[C@@:3]([O+:4]=[C-:5][H:13])([H:11])[C@:7]2([H:15])[C:6]1([H:12])[H:14],"InChI=1S/C6H8O/c1-3-2-7-6-4(1)5(3)6/h3-6H,1-2H2/t3-,4-,5+,6-/m1/s1","InChI=1S/C6H8O/c1-7-6-4-2-3-5(4)6/h1,4-6H,2-3H2/t4-,5+,6-",74.52083,62.721340000000005,
11377,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C@@:3]3([H:11])[O:4][C:5]([H:12])([H:13])[C@:6]1([H:14])[C@@:7]23[H:15],[C:1]1([H:8])([H:9])[C@@:3]2([H:11])[O:4][C:5]([H:12])([H:13])[C@:6]1([H:14])[C@:7]2([C:2][H:10])[H:15],"InChI=1S/C6H8O/c1-3-2-7-6-4(1)5(3)6/h3-6H,1-2H2/t3-,4-,5+,6-/m1/s1","InChI=1S/C6H8O/c1-4-5-2-6(4)7-3-5/h1,4-6H,2-3H2/t4-,5-,6-/m1/s1",109.24221999999999,76.63479,
11378,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C@@:3]3([H:11])[O:4][C:5]([H:12])([H:13])[C@:6]1([H:14])[C@@:7]23[H:15],[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C@@:3]3([H:11])[O+:4]=[C-:5][C@:6]1([H:14])[C@@:7]23[H:15].[H:12][H:13],"InChI=1S/C6H8O/c1-3-2-7-6-4(1)5(3)6/h3-6H,1-2H2/t3-,4-,5+,6-/m1/s1","InChI=1S/C6H6O.H2/c1-3-2-7-6-4(1)5(3)6;/h3-6H,1H2;1H/t3-,4-,5+,6-;/m1./s1",73.33487,65.6303,
11379,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C@@:3]3([H:11])[O:4][C:5]([H:12])([H:13])[C@:6]1([H:14])[C@@:7]23[H:15],[C:1]1([H:8])([H:9])[C:2]([H:10])=[C:7]([H:15])[C@:3]2([H:11])[O:4][C:5]([H:12])([H:13])[C@@:6]12[H:14],"InChI=1S/C6H8O/c1-3-2-7-6-4(1)5(3)6/h3-6H,1-2H2/t3-,4-,5+,6-/m1/s1","InChI=1S/C6H8O/c1-2-5-4-7-6(5)3-1/h1,3,5-6H,2,4H2/t5-,6+/m1/s1",78.4994,20.4958,
11380,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C@@:3]3([H:11])[O:4][C:5]([H:12])([H:13])[C@:6]1([H:14])[C@@:7]23[H:15],[C:1]([C@:6]1([H:14])[C:5]([H:12])([H:13])[O:4][C@:3]2([H:11])[C:2][C@@:7]21[H:15])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-3-2-7-6-4(1)5(3)6/h3-6H,1-2H2/t3-,4-,5+,6-/m1/s1","InChI=1S/C6H8O/c1-4-3-7-6-2-5(4)6/h4-6H,3H2,1H3/t4-,5-,6-/m1/s1",73.12225,66.79733,
11381,[N:1]([c:2]1[c:3]([O:4][H:10])[c:5]([H:11])[c:6]([H:12])[n:7]1[H:13])([H:8])[H:9],[N:1]([C@@:2]1([H:10])[C:3](=[O:4])[C:5]([H:11])=[C:6]([H:12])[N:7]1[H:13])([H:8])[H:9],"InChI=1S/C4H6N2O/c5-4-3(7)1-2-6-4/h1-2,6-7H,5H2","InChI=1S/C4H6N2O/c5-4-3(7)1-2-6-4/h1-2,4,6H,5H2/t4-/m1/s1",54.7206,0.52537,ketoenol
11382,[N:1]([c:2]1[c:3]([O:4][H:10])[c:5]([H:11])[c:6]([H:12])[n:7]1[H:13])([H:8])[H:9],[N:1]([C:2]1=[C:3]([O:4][H:10])[C:5]([H:11])([H:12])[C:6][N:7]1[H:13])([H:8])[H:9],"InChI=1S/C4H6N2O/c5-4-3(7)1-2-6-4/h1-2,6-7H,5H2","InChI=1S/C4H6N2O/c5-4-3(7)1-2-6-4/h6-7H,1,5H2",60.234869999999994,53.08336,Singlet_Carbene_Intra_Disproportionation
11383,[N:1]([c:2]1[c:3]([O:4][H:10])[c:5]([H:11])[c:6]([H:12])[n:7]1[H:13])([H:8])[H:9],[N:1]([C@@:6]1([H:12])[C+:5]([H:11])[C:3]([O:4][H:10])=[C-:2][N:7]1[H:13])([H:8])[H:9],"InChI=1S/C4H6N2O/c5-4-3(7)1-2-6-4/h1-2,6-7H,5H2","InChI=1S/C4H6N2O/c5-4-1-3(7)2-6-4/h1,4,6-7H,5H2/t4-/m1/s1",108.98188,52.32063,
11384,[N:1]([c:2]1[c:3]([O:4][H:10])[c:5]([H:11])[c:6]([H:12])[n:7]1[H:13])([H:8])[H:9],[N:1]([C:2]1=[N:7][C:6]([H:12])([H:13])[C:5]([H:11])=[C:3]1[O:4][H:10])([H:8])[H:9],"InChI=1S/C4H6N2O/c5-4-3(7)1-2-6-4/h1-2,6-7H,5H2","InChI=1S/C4H6N2O/c5-4-3(7)1-2-6-4/h1,7H,2H2,(H2,5,6)",37.5514,-1.0516299999999998,
11385,[N:1]([c:2]1[c:3]([O:4][H:10])[c:5]([H:11])[c:6]([H:12])[n:7]1[H:13])([H:8])[H:9],[N+:1]([c-:2]1[c:3]([O:4][H:10])[c:5]([H:11])[c:6]([H:12])[n:7]1)([H:8])([H:9])[H:13],"InChI=1S/C4H6N2O/c5-4-3(7)1-2-6-4/h1-2,6-7H,5H2","InChI=1S/C4H6N2O/c5-4-3(7)1-2-6-4/h1-2,7H,5H3",46.21756,38.362190000000005,
11386,[N:1]([c:2]1[c:3]([O:4][H:10])[c:5]([H:11])[c:6]([H:12])[n:7]1[H:13])([H:8])[H:9],[N:1]([C+:2]1[C@@:3]([O:4][H:10])([H:11])[C-:5]=[C:6]([H:12])[N:7]1[H:13])([H:8])[H:9],"InChI=1S/C4H6N2O/c5-4-3(7)1-2-6-4/h1-2,6-7H,5H2","InChI=1S/C4H6N2O/c5-4-3(7)1-2-6-4/h2-3,6-7H,5H2/t3-/m1/s1",74.25758,67.86545,
11387,[N:1]([c:2]1[c:3]([O:4][H:10])[c:5]([H:11])[c:6]([H:12])[n:7]1[H:13])([H:8])[H:9],[N:1]([C@:2]1([H:13])[C:3]([O:4][H:10])=[C:5]([H:11])[C:6]([H:12])=[N:7]1)([H:8])[H:9],"InChI=1S/C4H6N2O/c5-4-3(7)1-2-6-4/h1-2,6-7H,5H2","InChI=1S/C4H6N2O/c5-4-3(7)1-2-6-4/h1-2,4,7H,5H2/t4-/m0/s1",43.121320000000004,13.16782,
11388,[N:1]([c:2]1[c:3]([O:4][H:10])[c:5]([H:11])[c:6]([H:12])[n:7]1[H:13])([H:8])[H:9],[H:8][H:10].[N:1](=[C:2]1\[C:3](=[O:4])[C:5]([H:11])=[C:6]([H:12])[N:7]1[H:13])\[H:9],"InChI=1S/C4H6N2O/c5-4-3(7)1-2-6-4/h1-2,6-7H,5H2","InChI=1S/C4H4N2O.H2/c5-4-3(7)1-2-6-4;/h1-2H,(H2,5,6,7);1H",45.56845,14.91554,
11389,[N:1]([c:2]1[c:3]([O:4][H:10])[c:5]([H:11])[c:6]([H:12])[n:7]1[H:13])([H:8])[H:9],[N:1]([C:2]/[C:3]([O:4][H:10])=[C:5]([C:6](=[N:7]\[H:13])\[H:12])/[H:11])([H:8])[H:9],"InChI=1S/C4H6N2O/c5-4-3(7)1-2-6-4/h1-2,6-7H,5H2","InChI=1S/C4H6N2O/c5-2-1-4(7)3-6/h1-2,5,7H,6H2/b4-1+,5-2+",50.152390000000004,45.95176,
11390,[N:1]([c:2]1[c:3]([O:4][H:10])[c:5]([H:11])[c:6]([H:12])[n:7]1[H:13])([H:8])[H:9],[N:1](=[C:2]1\[C:3]([O:4][H:10])=[C:5]([H:11])[C:6]([H:8])([H:12])[N:7]1[H:13])\[H:9],"InChI=1S/C4H6N2O/c5-4-3(7)1-2-6-4/h1-2,6-7H,5H2","InChI=1S/C4H6N2O/c5-4-3(7)1-2-6-4/h1,7H,2H2,(H2,5,6)",78.2996,1.1686,
11391,[N:1]([c:2]1[c:3]([O:4][H:10])[c:5]([H:11])[c:6]([H:12])[n:7]1[H:13])([H:8])[H:9],[N-:1]([C:2]1=[C:3]([O:4][H:10])[C:5]([H:8])([H:11])[C+:6]([H:12])[N:7]1[H:13])[H:9],"InChI=1S/C4H6N2O/c5-4-3(7)1-2-6-4/h1-2,6-7H,5H2","InChI=1S/C4H6N2O/c5-4-3(7)1-2-6-4/h2,5-7H,1H2",78.30474,49.20681,
11392,[N:1]([c:2]1[c:3]([O:4][H:10])[c:5]([H:11])[c:6]([H:12])[n:7]1[H:13])([H:8])[H:9],[N:1]([C:2][N:7]([C@@:6]1([H:12])[C:3]([O:4][H:10])=[C:5]1[H:11])[H:13])([H:8])[H:9],"InChI=1S/C4H6N2O/c5-4-3(7)1-2-6-4/h1-2,6-7H,5H2","InChI=1S/C4H6N2O/c5-2-6-3-1-4(3)7/h1,3,6-7H,5H2/t3-/m1/s1",103.07455,75.70804,
11393,[N:1]([c:2]1[c:3]([O:4][H:10])[c:5]([H:11])[c:6]([H:12])[n:7]1[H:13])([H:8])[H:9],[N:1](=[C:2]1[C:3]([O:4][H:10])=[C:5]([H:11])[C-:6]([H:12])[N+:7]1([H:8])[H:13])[H:9],"InChI=1S/C4H6N2O/c5-4-3(7)1-2-6-4/h1-2,6-7H,5H2","InChI=1S/C4H6N2O/c5-4-3(7)1-2-6-4/h1-2,5,7H,6H2",72.15183,49.43176,
11394,[N:1]([c:2]1[c:3]([O:4][H:10])[c:5]([H:11])[c:6]([H:12])[n:7]1[H:13])([H:8])[H:9],[N:1]([C@@:2]1([N:7]([C:6][H:12])[H:13])[C:3]([O:4][H:10])=[C:5]1[H:11])([H:8])[H:9],"InChI=1S/C4H6N2O/c5-4-3(7)1-2-6-4/h1-2,6-7H,5H2","InChI=1S/C4H6N2O/c1-6-4(5)2-3(4)7/h1-2,6-7H,5H2/t4-/m0/s1",121.85006000000001,102.8142,
11395,[N:1]([c:2]1[c:3]([O:4][H:10])[c:5]([H:11])[c:6]([H:12])[n:7]1[H:13])([H:8])[H:9],[N:1]([C:2](=[C:3]=[C:5](/[C:6](=[N:7]/[H:13])[H:12])[H:11])[O:4][H:10])([H:8])[H:9],"InChI=1S/C4H6N2O/c5-4-3(7)1-2-6-4/h1-2,6-7H,5H2","InChI=1S/C4H6N2O/c5-3-1-2-4(6)7/h1,3,5,7H,6H2/b5-3+",90.50178000000001,34.596790000000006,
11396,[N:1]([c:2]1[c:3]([O:4][H:10])[c:5]([H:11])[c:6]([H:12])[n:7]1[H:13])([H:8])[H:9],[H:9][H:12].[N-:1]([C:2]1=[C:3]([O:4][H:10])[C:5]([H:11])=[C+:6][N:7]1[H:13])[H:8],"InChI=1S/C4H6N2O/c5-4-3(7)1-2-6-4/h1-2,6-7H,5H2","InChI=1S/C4H4N2O.H2/c5-4-3(7)1-2-6-4;/h1,5-7H;1H",115.87863,64.47971,
11397,[N:1]([c:2]1[c:3]([O:4][H:10])[c:5]([H:11])[c:6]([H:12])[n:7]1[H:13])([H:8])[H:9],[N:1](=[C:2]1/[C@:3]([O:4][H:10])([H:9])[C:5]([H:11])=[C:6]([H:12])[N:7]1[H:13])\[H:8],"InChI=1S/C4H6N2O/c5-4-3(7)1-2-6-4/h1-2,6-7H,5H2","InChI=1S/C4H6N2O/c5-4-3(7)1-2-6-4/h1-3,7H,(H2,5,6)/t3-/m0/s1",62.18979,10.5724,
11398,[N:1]([c:2]1[c:3]([O:4][H:10])[c:5]([H:11])[c:6]([H:12])[n:7]1[H:13])([H:8])[H:9],[N:1]([C@@:3]1([O:4][H:10])[C:2][N:7]([H:13])[C:6]([H:12])=[C:5]1[H:11])([H:8])[H:9],"InChI=1S/C4H6N2O/c5-4-3(7)1-2-6-4/h1-2,6-7H,5H2","InChI=1S/C4H6N2O/c5-4(7)1-2-6-3-4/h1-2,6-7H,5H2/t4-/m0/s1",71.25506999999999,61.74531999999999,
11399,[N:1]([c:2]1[c:3]([O:4][H:10])[c:5]([H:11])[c:6]([H:12])[n:7]1[H:13])([H:8])[H:9],[N:1]([C:2]1=[C:3]([O-:4])[C:5]([H:10])([H:11])[C+:6]([H:12])[N:7]1[H:13])([H:8])[H:9],"InChI=1S/C4H6N2O/c5-4-3(7)1-2-6-4/h1-2,6-7H,5H2","InChI=1S/C4H6N2O/c5-4-3(7)1-2-6-4/h2,6H,1,5H2",54.73454,21.388279999999998,
11400,[N:1]([c:2]1[c:3]([O:4][H:10])[c:5]([H:11])[c:6]([H:12])[n:7]1[H:13])([H:8])[H:9],[H:8][H:13].[N:1](=[C:2]1\[C:3]([O:4][H:10])=[C:5]([H:11])[C:6]([H:12])=[N:7]1)\[H:9],"InChI=1S/C4H6N2O/c5-4-3(7)1-2-6-4/h1-2,6-7H,5H2","InChI=1S/C4H4N2O.H2/c5-4-3(7)1-2-6-4;/h1-2H,(H2,5,6,7);1H",78.8553,31.640220000000003,
11401,[N:1]([c:2]1[c:3]([O:4][H:10])[c:5]([H:11])[c:6]([H:12])[n:7]1[H:13])([H:8])[H:9],[N:1]([C@:2]1([H:11])[C:3]([O:4][H:10])=[C:5]=[C:6]([H:12])[N:7]1[H:13])([H:8])[H:9],"InChI=1S/C4H6N2O/c5-4-3(7)1-2-6-4/h1-2,6-7H,5H2","InChI=1S/C4H6N2O/c5-4-3(7)1-2-6-4/h2,4,6-7H,5H2/t4-/m0/s1",74.25338,52.70401,
11402,[N:1]([c:2]1[c:3]([O:4][H:10])[c:5]([H:11])[c:6]([H:12])[n:7]1[H:13])([H:8])[H:9],[N:1](=[C:2]([C:3](\[O:4][H:10])=[C:5]([C:6](=[N:7]/[H:13])/[H:12])\[H:11])/[H:8])\[H:9],"InChI=1S/C4H6N2O/c5-4-3(7)1-2-6-4/h1-2,6-7H,5H2","InChI=1S/C4H6N2O/c5-2-1-4(7)3-6/h1-3,5-7H/b4-1+,5-2+,6-3-",58.49981,15.917270000000002,
11403,[N:1]([c:2]1[c:3]([O:4][H:10])[c:5]([H:11])[c:6]([H:12])[n:7]1[H:13])([H:8])[H:9],[N:1]([C:2]1=[C:3]([O:4][H:10])[C:5]([H:11])=[C-:6][N+:7]1([H:12])[H:13])([H:8])[H:9],"InChI=1S/C4H6N2O/c5-4-3(7)1-2-6-4/h1-2,6-7H,5H2","InChI=1S/C4H6N2O/c5-4-3(7)1-2-6-4/h1,7H,5-6H2",81.03784,71.54359000000001,
11404,[C:1]([O:2][C:3](=[O:4])[C:5]([C:6]([O:7][H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O+:2]=[C-:3][O:4][C:5]([C:6]([O:7][H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H8O3/c1-7-4(6)2-3-5/h5H,2-3H2,1H3","InChI=1S/C4H8O3/c1-6-4-7-3-2-5/h5H,2-3H2,1H3",98.01485,60.42105,
11405,[C:1]([O:2][C:3](=[O:4])[C:5]([C:6]([O:7][H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2]/[C:3]([O:4][H:12])=[C:5](/[C:6]([O:7][H:15])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H8O3/c1-7-4(6)2-3-5/h5H,2-3H2,1H3","InChI=1S/C4H8O3/c1-7-4(6)2-3-5/h2,5-6H,3H2,1H3/b4-2+",70.90683,18.71471,ketoenol
11406,[C:1]([O:2][C:3](=[O:4])[C:5]([C:6]([O:7][H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C:3](=[O:4])[C:5]([H:11])([H:12])[H:14])([H:8])([H:9])[H:10].[C:6]([O:7][H:15])[H:13],"InChI=1S/C4H8O3/c1-7-4(6)2-3-5/h5H,2-3H2,1H3",InChI=1S/C3H6O2.CH2O/c1-3(4)5-2;1-2/h1-2H3;1-2H,67.77858,70.27662,
11407,[C:1]([O:2][C:3](=[O:4])[C:5]([C:6]([O:7][H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](=[O+:2][C:3](=[O:4])[C:5]([C-:6]([O:7][H:15])[H:13])([H:11])[H:12])([H:9])[H:10].[H:8][H:14],"InChI=1S/C4H8O3/c1-7-4(6)2-3-5/h5H,2-3H2,1H3","InChI=1S/C4H6O3.H2/c1-7-4(6)2-3-5;/h3,5H,1-2H2;1H",88.76576,93.47695999999999,
11408,[C:1]([O:2][C:3](=[O:4])[C:5]([C:6]([O:7][H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][H:12])([H:8])([H:9])[H:10].[C:3](=[O:4])=[C:5]([C:6]([O:7][H:15])([H:13])[H:14])[H:11],"InChI=1S/C4H8O3/c1-7-4(6)2-3-5/h5H,2-3H2,1H3","InChI=1S/C3H4O2.CH4O/c4-2-1-3-5;1-2/h1,4H,2H2;2H,1H3",67.21543,37.23943,"1,3_Insertion_ROR"
11409,[C:1]([O:2][C:3](=[O:4])[C:5]([C:6]([O:7][H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]([O:4][C:6]([O:7][H:15])([H:13])[H:14])=[C:5]([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H8O3/c1-7-4(6)2-3-5/h5H,2-3H2,1H3","InChI=1S/C4H8O3/c1-4(6-2)7-3-5/h5H,1,3H2,2H3",71.85162,28.430259999999997,ketoenol
11410,[C:1]([O:2][C:3](=[O:4])[C:5]([C:6]([O:7][H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C:6]([O:7][H:15])([H:13])[H:14])([H:8])([H:9])[H:10].[C:3](=[O:4])=[C:5]([H:11])[H:12],"InChI=1S/C4H8O3/c1-7-4(6)2-3-5/h5H,2-3H2,1H3","InChI=1S/C2H6O2.C2H2O/c1-4-2-3;1-2-3/h3H,2H2,1H3;1H2",75.31485,37.605340000000005,
11411,[C:1]([O:2][C:3](=[O:4])[C:5]([C:6]([O:7][H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C@@:3]1([H:12])[O:4][C@:5]1([C:6]([O:7][H:15])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H8O3/c1-7-4(6)2-3-5/h5H,2-3H2,1H3","InChI=1S/C4H8O3/c1-6-4-3(2-5)7-4/h3-5H,2H2,1H3/t3-,4-/m0/s1",90.94211999999999,43.09615,
11412,[C:1]([O:2][C:3](=[O:4])[C:5]([C:6]([O:7][H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]([O-:4])=[C+:5][H:11])([H:8])([H:9])[H:10].[C:6]([O:7][H:15])([H:12])([H:13])[H:14],"InChI=1S/C4H8O3/c1-7-4(6)2-3-5/h5H,2-3H2,1H3","InChI=1S/C3H4O2.CH4O/c1-3(4)5-2;1-2/h1H,2H3;2H,1H3",93.85446,98.76921999999999,
11413,[C:1]([O:2][C:3](=[O:4])[C:5]([C:6]([O:7][H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C-:3]#[O+:4].[C:1]([O:2][H:14])([H:8])([H:9])[H:10].[C:5](=[C:6]([O:7][H:15])[H:13])([H:11])[H:12],"InChI=1S/C4H8O3/c1-7-4(6)2-3-5/h5H,2-3H2,1H3","InChI=1S/C2H4O.CH4O.CO/c1-2-3;2*1-2/h2-3H,1H2;2H,1H3;",84.10712,34.16962,
11414,[C:1]([O:2][C:3](=[O:4])[C:5]([C:6]([O:7][H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C-:3]#[O+:4].[C:1]([O:2][C:5]([C:6]([O:7][H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H8O3/c1-7-4(6)2-3-5/h5H,2-3H2,1H3","InChI=1S/C3H8O2.CO/c1-5-3-2-4;1-2/h4H,2-3H2,1H3;",91.80069,27.35156,
11415,[C:1]([O:2][C:3](=[O:4])[C:5]([C:6]([O:7][H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]1([H:9])([H:10])[O:2][C@:3]1([O:4][H:8])[C:5]([C:6]([O:7][H:15])([H:13])[H:14])([H:11])[H:12],"InChI=1S/C4H8O3/c1-7-4(6)2-3-5/h5H,2-3H2,1H3","InChI=1S/C4H8O3/c5-2-1-4(6)3-7-4/h5-6H,1-3H2/t4-/m1/s1",88.09003,29.196640000000002,
11416,[C:1]([O:2][C:3](=[O:4])[C:5]([C:6]([O:7][H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C:3](=[O:4])[C:5](=[C:6]([H:13])[H:14])[H:11])([H:8])([H:9])[H:10].[O:7]([H:12])[H:15],"InChI=1S/C4H8O3/c1-7-4(6)2-3-5/h5H,2-3H2,1H3","InChI=1S/C4H6O2.H2O/c1-3-4(5)6-2;/h3H,1H2,2H3;1H2",50.58146,9.52824,"1,3_Insertion_ROR"
11417,[C:1]([O:2][C:3](=[O:4])[C:5]([C:6]([O:7][H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C:3](=[O:4])[C:5]([O:7][H:15])([H:11])[H:12])([H:8])([H:9])[H:10].[C:6]([H:13])[H:14],"InChI=1S/C4H8O3/c1-7-4(6)2-3-5/h5H,2-3H2,1H3","InChI=1S/C3H6O3.CH2/c1-6-3(5)2-4;/h4H,2H2,1H3;1H2",108.60502,116.13752,
11418,[C:1]([O:2][C:3](=[O:4])[C:5]([C:6]([O:7][H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](=[O:2])([H:9])[H:10].[C:3](=[O:4])([C:5]([C:6]([O:7][H:15])([H:13])[H:14])([H:11])[H:12])[H:8],"InChI=1S/C4H8O3/c1-7-4(6)2-3-5/h5H,2-3H2,1H3","InChI=1S/C3H6O2.CH2O/c4-2-1-3-5;1-2/h2,5H,1,3H2;1H2",69.06239000000001,33.04466,
11419,[C:1]([O:2][C:3](=[O:4])[C:5]([C:6]([O:7][H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C:3](=[O:4])[C:5]([C:6](=[O:7])[H:13])([H:11])[H:14])([H:8])([H:9])[H:10].[H:12][H:15],"InChI=1S/C4H8O3/c1-7-4(6)2-3-5/h5H,2-3H2,1H3","InChI=1S/C4H6O3.H2/c1-7-4(6)2-3-5;/h3H,2H2,1H3;1H",79.18929,18.63601,
11420,[C:1]([O:2][C:3](=[O:4])[C:5]([C:6]([O:7][H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C@@:3]1([O:4][H:15])[C:5]([H:11])([H:12])[C:6]([H:13])([H:14])[O:7]1)([H:8])([H:9])[H:10],"InChI=1S/C4H8O3/c1-7-4(6)2-3-5/h5H,2-3H2,1H3","InChI=1S/C4H8O3/c1-6-4(5)2-3-7-4/h5H,2-3H2,1H3/t4-/m0/s1",45.88657,24.678060000000002,
11421,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@@:4]2([H:14])[O:5][C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:7]([H:17])[C:4]([H:11])([H:14])[C:3]1([H:12])[H:13])([H:8])([H:9])[H:10].[O:5]=[C:6]([H:15])[H:16],"InChI=1S/C6H10O/c1-4-2-6-5(4)3-7-6/h4-6H,2-3H2,1H3/t4-,5-,6+/m0/s1","InChI=1S/C5H8.CH2O/c1-5-3-2-4-5;1-2/h3H,2,4H2,1H3;1H2",92.16785,5.57301,
11422,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@@:4]2([H:14])[O:5][C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:7](\[C:6]([O:5][C:4](=[C:3]([H:12])[H:13])[H:14])([H:15])[H:16])[H:17])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-2-6-5(4)3-7-6/h4-6H,2-3H2,1H3/t4-,5-,6+/m0/s1","InChI=1S/C6H10O/c1-3-5-6-7-4-2/h3-5H,2,6H2,1H3/b5-3-",63.78468,-10.47505,
11423,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@@:4]2([H:14])[O:5][C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1](=[C:2]([C@:7]12[C:3]([H:12])([H:13])[C@@:4]1([H:14])[O:5][C:6]2([H:15])[H:16])[H:11])([H:8])[H:10].[H:9][H:17],"InChI=1S/C6H10O/c1-4-2-6-5(4)3-7-6/h4-6H,2-3H2,1H3/t4-,5-,6+/m0/s1","InChI=1S/C6H8O.H2/c1-2-6-3-5(6)7-4-6;/h2,5H,1,3-4H2;1H/t5-,6-;/m1./s1",95.92281,33.84253,
11424,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@@:4]2([H:14])[O:5][C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]([H:12])[H:13])[H:11])([H:8])([H:9])[H:10].[C:4]1([H:14])=[C:7]([H:17])[C:6]([H:15])([H:16])[O:5]1,"InChI=1S/C6H10O/c1-4-2-6-5(4)3-7-6/h4-6H,2-3H2,1H3/t4-,5-,6+/m0/s1","InChI=1S/C3H4O.C3H6/c1-2-4-3-1;1-3-2/h1-2H,3H2;3H,1H2,2H3",65.91318000000001,19.97416,
11425,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@@:4]2([H:14])[O:5][C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:6]([H:15])([H:16])[O:5][C:4]([H:14])=[C:7]1[H:17])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-2-6-5(4)3-7-6/h4-6H,2-3H2,1H3/t4-,5-,6+/m0/s1","InChI=1S/C6H10O/c1-6-2-4-7-5-3-6/h2,4,6H,3,5H2,1H3/t6-/m1/s1",99.7131,-32.32189,
11426,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@@:4]2([H:14])[O:5][C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])=[C:7]1[C:6]([O:5][H:17])([H:15])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-2-6-5(4)3-7-6/h4-6H,2-3H2,1H3/t4-,5-,6+/m0/s1","InChI=1S/C6H10O/c1-5-2-3-6(5)4-7/h3,5,7H,2,4H2,1H3/t5-/m0/s1",105.67853999999998,-11.00331,
11427,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@@:4]2([H:14])[O:5][C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C-:4]=[O+:5][C:6]([H:15])([H:16])[C:7]1([H:14])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-2-6-5(4)3-7-6/h4-6H,2-3H2,1H3/t4-,5-,6+/m0/s1","InChI=1S/C6H10O/c1-6-2-4-7-5-3-6/h6H,2-4H2,1H3/t6-/m1/s1",65.51924,18.82423,
11428,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@@:4]2([H:14])[O:5][C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4][C@:7]1([C:6]([O:5][H:14])([H:15])[H:16])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-2-6-5(4)3-7-6/h4-6H,2-3H2,1H3/t4-,5-,6+/m0/s1","InChI=1S/C6H10O/c1-5-2-3-6(5)4-7/h5-7H,2,4H2,1H3/t5-,6-/m0/s1",65.3325,63.017430000000004,
11429,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@@:4]2([H:14])[O:5][C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C-:2]1=[C:7]([H:17])[C:6]([H:15])([H:16])[O+:5]=[C:4]([H:14])[C:3]1([H:12])[H:13].[C:1]([H:8])([H:9])([H:10])[H:11],"InChI=1S/C6H10O/c1-4-2-6-5(4)3-7-6/h4-6H,2-3H2,1H3/t4-,5-,6+/m0/s1","InChI=1S/C5H6O.CH4/c1-2-4-6-5-3-1;/h2,5H,3-4H2;1H4",84.94861999999999,48.64625,
11430,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@@:4]2([H:14])[O:5][C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:7]1([H:17])[C@:4]([C:3]([C:2][H:11])([H:12])[H:13])([H:14])[O:5][C:6]1([H:15])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-2-6-5(4)3-7-6/h4-6H,2-3H2,1H3/t4-,5-,6+/m0/s1","InChI=1S/C6H10O/c1-3-6-5(2)4-7-6/h1,5-6H,3-4H2,2H3/t5-,6-/m1/s1",114.96732,74.74286,
11431,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@@:4]2([H:14])[O:5][C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:11].[C:2]12=[C:7]([H:17])[C:6]([H:15])([H:16])[O:5][C@:4]1([H:14])[C:3]2([H:12])[H:13],"InChI=1S/C6H10O/c1-4-2-6-5(4)3-7-6/h4-6H,2-3H2,1H3/t4-,5-,6+/m0/s1","InChI=1S/C5H6O.CH4/c1-2-6-5-3-4(1)5;/h1,5H,2-3H2;1H4/t5-;/m1./s1",84.93741999999999,36.65465,
11432,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@@:4]2([H:14])[O:5][C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]([C:3]([C:4](=[O:5])[H:14])([H:12])[H:13])([C:7](=[C:6]([H:15])[H:16])[H:17])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-2-6-5(4)3-7-6/h4-6H,2-3H2,1H3/t4-,5-,6+/m0/s1","InChI=1S/C6H10O/c1-3-6(2)4-5-7/h3,5-6H,1,4H2,2H3/t6-/m1/s1",35.323240000000006,-26.01384,
11433,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@@:4]2([H:14])[O:5][C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:12])([H:13])[H:15])([C:7]1([H:17])[C-:4]([H:14])[O+:5]=[C:6]1[H:16])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-2-6-5(4)3-7-6/h4-6H,2-3H2,1H3/t4-,5-,6+/m0/s1","InChI=1S/C6H10O/c1-5(2)6-3-7-4-6/h3-6H,1-2H3",67.59735,43.151309999999995,
11434,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@@:4]2([H:14])[O:5][C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@@:4]2([H:14])[O+:5]=[C-:6][C@@:7]12[H:17])([H:8])([H:9])[H:10].[H:15][H:16],"InChI=1S/C6H10O/c1-4-2-6-5(4)3-7-6/h4-6H,2-3H2,1H3/t4-,5-,6+/m0/s1","InChI=1S/C6H8O.H2/c1-4-2-6-5(4)3-7-6;/h4-6H,2H2,1H3;1H/t4-,5-,6+;/m0./s1",76.0898,69.29831999999999,
11435,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@@:4]2([H:14])[O:5][C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:3]([H:12])[C@@:4]2([H:14])[O:5][C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10].[H:11][H:13],"InChI=1S/C6H10O/c1-4-2-6-5(4)3-7-6/h4-6H,2-3H2,1H3/t4-,5-,6+/m0/s1","InChI=1S/C6H8O.H2/c1-4-2-6-5(4)3-7-6;/h2,5-6H,3H2,1H3;1H/t5-,6+;/m0./s1",118.28598999999998,29.71712,
11436,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@@:4]2([H:14])[O:5][C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])=[C:4]([H:14])[C@:7]1([C:6]([O:5][H:13])([H:15])[H:16])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-2-6-5(4)3-7-6/h4-6H,2-3H2,1H3/t4-,5-,6+/m0/s1","InChI=1S/C6H10O/c1-5-2-3-6(5)4-7/h2-3,5-7H,4H2,1H3/t5-,6-/m0/s1",50.58109,-8.78603,
11437,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@@:4]2([H:14])[O:5][C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C:2][C:3]([C@@:4]1([H:14])[O:5][C:6]([H:15])([H:16])[C:7]1([H:11])[H:17])([H:12])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-2-6-5(4)3-7-6/h4-6H,2-3H2,1H3/t4-,5-,6+/m0/s1","InChI=1S/C6H10O/c1-2-3-6-4-5-7-6/h6H,3-5H2,1H3/t6-/m1/s1",70.80336,66.29945,
11438,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@@:4]2([H:14])[O:5][C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C:2][C@@:7]1([H:17])[C@:4]([C:3]([H:11])([H:12])[H:13])([H:14])[O:5][C:6]1([H:15])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-2-6-5(4)3-7-6/h4-6H,2-3H2,1H3/t4-,5-,6+/m0/s1","InChI=1S/C6H10O/c1-3-6-4-7-5(6)2/h5-6H,4H2,1-2H3/t5-,6-/m1/s1",69.83667,63.29711999999999,
11439,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@@:4]2([H:14])[O:5][C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]1([H:8])([H:10])[C@@:2]2([H:11])[C@:3]1([H:13])[C@@:4]1([H:14])[O:5][C:6]([H:15])([H:16])[C@@:7]21[H:17].[H:9][H:12],"InChI=1S/C6H10O/c1-4-2-6-5(4)3-7-6/h4-6H,2-3H2,1H3/t4-,5-,6+/m0/s1","InChI=1S/C6H8O.H2/c1-3-4(1)6-5(3)2-7-6;/h3-6H,1-2H2;1H/t3-,4+,5-,6+;/m0./s1",99.98222,42.913709999999995,
11440,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@@:4]2([H:14])[O:5][C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([C@@:4]1([H:14])[O:5][C:6]([H:15])([H:16])[C:7]1)([H:12])[H:13])([H:11])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-2-6-5(4)3-7-6/h4-6H,2-3H2,1H3/t4-,5-,6+/m0/s1","InChI=1S/C6H10O/c1-2-3-6-4-5-7-6/h6H,2-3,5H2,1H3/t6-/m1/s1",67.24616999999999,67.18118,
11441,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@@:4]2([H:14])[O:5][C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@@:4]([C:7](=[C:6]([H:15])[H:16])[H:17])([H:14])[O:5]1)([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-2-6-5(4)3-7-6/h4-6H,2-3H2,1H3/t4-,5-,6+/m0/s1","InChI=1S/C6H10O/c1-3-6-4-5(2)7-6/h3,5-6H,1,4H2,2H3/t5-,6-/m0/s1",85.88195,-10.65731,
11442,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@@:4]2([H:14])[O:5][C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])([H:17])[O:5][C:6]([H:15])([H:16])[C:7]1)([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-2-6-5(4)3-7-6/h4-6H,2-3H2,1H3/t4-,5-,6+/m0/s1","InChI=1S/C6H10O/c1-6-2-4-7-5-3-6/h6H,2,4-5H2,1H3/t6-/m0/s1",68.91089000000001,45.83356,
11443,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@@:4]2([H:14])[O:5][C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:4]([O+:5]=[C-:6][H:15])([H:14])[C:7]1([H:16])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-2-6-5(4)3-7-6/h4-6H,2-3H2,1H3/t4-,5-,6+/m0/s1","InChI=1S/C6H10O/c1-5-3-6(4-5)7-2/h2,5-6H,3-4H2,1H3/t5-,6+",76.62908,43.1102,
11444,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@@:4]2([H:14])[O:5][C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C@@:7]1([H:17])[C-:4]=[O+:5][C:6]1([H:15])[H:16])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-2-6-5(4)3-7-6/h4-6H,2-3H2,1H3/t4-,5-,6+/m0/s1","InChI=1S/C6H10O/c1-5(2)6-3-7-4-6/h5-6H,3H2,1-2H3/t6-/m1/s1",56.29329,34.65937,
11445,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@@:4]2([H:14])[O:5][C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@@:4]([C:7][H:17])([H:14])[O:5][C:6]1([H:15])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-2-6-5(4)3-7-6/h4-6H,2-3H2,1H3/t4-,5-,6+/m0/s1","InChI=1S/C6H10O/c1-5-3-6(2)7-4-5/h2,5-6H,3-4H2,1H3/t5-,6-/m0/s1",114.39905,54.6849,
11446,[O:1]=[C:2]1[C:3]([H:8])([H:9])[O:4][C@@:5]2([H:10])[C:6]([H:11])([H:12])[C@@:7]12[H:13],[O:1]1[C@:2]2([C:7](=[C:6]([H:11])[H:12])[H:13])[C:3]([H:8])([H:9])[O:4][C@:5]12[H:10],"InChI=1S/C5H6O2/c6-4-2-7-5-1-3(4)5/h3,5H,1-2H2/t3-,5-/m0/s1","InChI=1S/C5H6O2/c1-2-5-3-6-4(5)7-5/h2,4H,1,3H2/t4-,5-/m1/s1",67.44541,35.438990000000004,
11447,[O:1]=[C:2]1[C:3]([H:8])([H:9])[O:4][C@@:5]2([H:10])[C:6]([H:11])([H:12])[C@@:7]12[H:13],[C:3](=[O:4])([H:8])[H:9].[C:5]1([H:10])=[C:7]([H:13])[C:6]1([H:11])[H:12].[O+:1]#[C-:2],"InChI=1S/C5H6O2/c6-4-2-7-5-1-3(4)5/h3,5H,1-2H2/t3-,5-/m0/s1","InChI=1S/C3H4.CH2O.CO/c1-2-3-1;2*1-2/h1-2H,3H2;1H2;",63.69521999999999,53.27893,
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11449,[O:1]=[C:2]1[C:3]([H:8])([H:9])[O:4][C@@:5]2([H:10])[C:6]([H:11])([H:12])[C@@:7]12[H:13],[O-:1][C:7](=[C+:2][C:3]([O:4][C:5](=[C:6]([H:11])[H:12])[H:10])([H:8])[H:9])[H:13],"InChI=1S/C5H6O2/c6-4-2-7-5-1-3(4)5/h3,5H,1-2H2/t3-,5-/m0/s1","InChI=1S/C5H6O2/c1-2-7-5-3-4-6/h2,4H,1,5H2",81.4778,70.43341,
11450,[O:1]=[C:2]1[C:3]([H:8])([H:9])[O:4][C@@:5]2([H:10])[C:6]([H:11])([H:12])[C@@:7]12[H:13],[O:1]=[C:2]=[C:7]([C:6]([C:5](=[O+:4][C-:3]([H:8])[H:9])[H:10])([H:11])[H:12])[H:13],"InChI=1S/C5H6O2/c6-4-2-7-5-1-3(4)5/h3,5H,1-2H2/t3-,5-/m0/s1","InChI=1S/C5H6O2/c1-7-5-3-2-4-6/h2,5H,1,3H2",61.178000000000004,54.8972,
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11454,[O:1]=[C:2]1[C:3]([H:8])([H:9])[O:4][C@@:5]2([H:10])[C:6]([H:11])([H:12])[C@@:7]12[H:13],[O:1]=[C:2]([C:3]([O:4][C:5]1([H:10])[C:6]([H:12])=[C:7]1[H:13])([H:8])[H:9])[H:11],"InChI=1S/C5H6O2/c6-4-2-7-5-1-3(4)5/h3,5H,1-2H2/t3-,5-/m0/s1","InChI=1S/C5H6O2/c6-3-4-7-5-1-2-5/h1-3,5H,4H2",81.04012,42.68676,
11455,[O:1]=[C:2]1[C:3]([H:8])([H:9])[O:4][C@@:5]2([H:10])[C:6]([H:11])([H:12])[C@@:7]12[H:13],[O:1]=[C:2]([C:3](=[O:4])[H:9])[C:7]1([H:13])[C:5]([H:10])([H:12])[C:6]1([H:8])[H:11],"InChI=1S/C5H6O2/c6-4-2-7-5-1-3(4)5/h3,5H,1-2H2/t3-,5-/m0/s1","InChI=1S/C5H6O2/c6-3-5(7)4-1-2-4/h3-4H,1-2H2",109.12138,-3.4053199999999997,
11456,[O:1]=[C:2]1[C:3]([H:8])([H:9])[O:4][C@@:5]2([H:10])[C:6]([H:11])([H:12])[C@@:7]12[H:13],[O:1]1[C:2](=[C:3]([H:8])[H:9])[C@:7]([C:5](=[O:4])[H:10])([H:13])[C:6]1([H:11])[H:12],"InChI=1S/C5H6O2/c6-4-2-7-5-1-3(4)5/h3,5H,1-2H2/t3-,5-/m0/s1","InChI=1S/C5H6O2/c1-4-5(2-6)3-7-4/h2,5H,1,3H2/t5-/m0/s1",58.752019999999995,11.46654,
11457,[O:1]=[C:2]1[C:3]([H:8])([H:9])[O:4][C@@:5]2([H:10])[C:6]([H:11])([H:12])[C@@:7]12[H:13],[O:1]=[C:2]([C:3]([O+:4]=[C-:5][H:10])([H:8])[H:9])[C:7](=[C:6]([H:11])[H:12])[H:13],"InChI=1S/C5H6O2/c6-4-2-7-5-1-3(4)5/h3,5H,1-2H2/t3-,5-/m0/s1","InChI=1S/C5H6O2/c1-3-5(6)4-7-2/h2-3H,1,4H2",56.8484,60.1364,
11458,[O:1]=[C:2]1[C:3]([H:8])([H:9])[O:4][C@@:5]2([H:10])[C:6]([H:11])([H:12])[C@@:7]12[H:13],[O:1]=[C:2]([C:3]([O:4][H:11])([H:8])[H:9])[C:7]1([H:13])[C:5]([H:10])=[C:6]1[H:12],"InChI=1S/C5H6O2/c6-4-2-7-5-1-3(4)5/h3,5H,1-2H2/t3-,5-/m0/s1","InChI=1S/C5H6O2/c6-3-5(7)4-1-2-4/h1-2,4,6H,3H2",69.8392,31.506529999999998,
11459,[O:1]=[C:2]1[C:3]([H:8])([H:9])[O:4][C@@:5]2([H:10])[C:6]([H:11])([H:12])[C@@:7]12[H:13],[O:1]=[C:2]1[C:3]([H:8])([H:9])[O:4][C:5]([H:10])=[C:7]([H:13])[C:6]1([H:11])[H:12],"InChI=1S/C5H6O2/c6-4-2-7-5-1-3(4)5/h3,5H,1-2H2/t3-,5-/m0/s1","InChI=1S/C5H6O2/c6-5-2-1-3-7-4-5/h1,3H,2,4H2",54.37146,-12.29648,
11460,[O:1]=[C:2]1[C:3]([H:8])([H:9])[O:4][C@@:5]2([H:10])[C:6]([H:11])([H:12])[C@@:7]12[H:13],[O:1]([C:2]1=[C:7]2[C@@:5]([H:10])([O:4][C:3]1([H:8])[H:9])[C:6]2([H:11])[H:12])[H:13],"InChI=1S/C5H6O2/c6-4-2-7-5-1-3(4)5/h3,5H,1-2H2/t3-,5-/m0/s1","InChI=1S/C5H6O2/c6-4-2-7-5-1-3(4)5/h5-6H,1-2H2/t5-/m0/s1",71.98984,40.46439,ketoenol
11461,[O:1]=[C:2]1[C:3]([H:8])([H:9])[O:4][C@@:5]2([H:10])[C:6]([H:11])([H:12])[C@@:7]12[H:13],[O:1]=[C:2]([C@@:7]1([H:13])[C@:5]([O+:4]=[C-:3][H:9])([H:10])[C:6]1([H:11])[H:12])[H:8],"InChI=1S/C5H6O2/c6-4-2-7-5-1-3(4)5/h3,5H,1-2H2/t3-,5-/m0/s1","InChI=1S/C5H6O2/c1-7-5-2-4(5)3-6/h1,3-5H,2H2/t4-,5-/m0/s1",66.74884,67.34421999999999,
11462,[O:1]=[C:2]1[C:3]([H:8])([H:9])[O:4][C@@:5]2([H:10])[C:6]([H:11])([H:12])[C@@:7]12[H:13],[O:1]=[C:2]1[C:3]([H:8])([H:9])[O+:4]=[C-:5][C@:7]1([C:6]([H:10])([H:11])[H:12])[H:13],"InChI=1S/C5H6O2/c6-4-2-7-5-1-3(4)5/h3,5H,1-2H2/t3-,5-/m0/s1","InChI=1S/C5H6O2/c1-4-2-7-3-5(4)6/h4H,3H2,1H3/t4-/m1/s1",51.73173,33.0159,
11463,[O:1]=[C:2]1[C:3]([H:8])([H:9])[O:4][C@@:5]2([H:10])[C:6]([H:11])([H:12])[C@@:7]12[H:13],[O:1]([C:2]1=[C:3]([H:8])[O:4][C@@:5]2([H:10])[C:6]([H:11])([H:12])[C@@:7]12[H:13])[H:9],"InChI=1S/C5H6O2/c6-4-2-7-5-1-3(4)5/h3,5H,1-2H2/t3-,5-/m0/s1","InChI=1S/C5H6O2/c6-4-2-7-5-1-3(4)5/h2-3,5-6H,1H2/t3-,5-/m0/s1",67.82035,11.168389999999999,ketoenol
11464,[O:1]=[C:2]1[C:3]([H:8])([H:9])[O:4][C@@:5]2([H:10])[C:6]([H:11])([H:12])[C@@:7]12[H:13],[O-:1][C:2]1=[C:3]([H:9])[O+:4]=[C:5]([H:10])[C@:7]1([C:6]([H:8])([H:11])[H:12])[H:13],"InChI=1S/C5H6O2/c6-4-2-7-5-1-3(4)5/h3,5H,1-2H2/t3-,5-/m0/s1","InChI=1S/C5H6O2/c1-4-2-7-3-5(4)6/h2-4H,1H3/t4-/m1/s1",60.55341,14.627120000000001,
11465,[O:1]=[C:2]1[C:3]([H:8])([H:9])[O:4][C@@:5]2([H:10])[C:6]([H:11])([H:12])[C@@:7]12[H:13],[O:1]=[C:2]=[C:3]([O:4][C:5]1([H:10])[C:6]([H:11])([H:12])[C:7]1([H:8])[H:13])[H:9],"InChI=1S/C5H6O2/c6-4-2-7-5-1-3(4)5/h3,5H,1-2H2/t3-,5-/m0/s1","InChI=1S/C5H6O2/c6-3-4-7-5-1-2-5/h4-5H,1-2H2",74.11327,27.07511,
11466,[O:1]=[C:2]1[C:3]([H:8])([H:9])[O:4][C@@:5]2([H:10])[C:6]([H:11])([H:12])[C@@:7]12[H:13],[O:1]=[C:2]1[C:3]([H:8])([H:9])[O:4][C:5]([H:10])=[C:7]1[C:6]([H:11])([H:12])[H:13],"InChI=1S/C5H6O2/c6-4-2-7-5-1-3(4)5/h3,5H,1-2H2/t3-,5-/m0/s1","InChI=1S/C5H6O2/c1-4-2-7-3-5(4)6/h2H,3H2,1H3",66.75347,-24.25645,
11467,[O:1]=[C:2]1[C:3]([H:8])([H:9])[O:4][C@@:5]2([H:10])[C:6]([H:11])([H:12])[C@@:7]12[H:13],[O:1]=[C:2]1[C:3]([H:8])([H:9])[O:4][C:5]([H:10])([H:13])[C:7]1=[C:6]([H:11])[H:12],"InChI=1S/C5H6O2/c6-4-2-7-5-1-3(4)5/h3,5H,1-2H2/t3-,5-/m0/s1",InChI=1S/C5H6O2/c1-4-2-7-3-5(4)6/h1-3H2,67.23315,-7.81358,
11468,[O:1]=[C:2]1[C:3]([H:8])([H:9])[O:4][C@@:5]2([H:10])[C:6]([H:11])([H:12])[C@@:7]12[H:13],[O-:1][C:2]1=[C:3]([H:8])[O+:4]=[C:5]([H:10])[C:6]([H:11])([H:12])[C:7]1([H:9])[H:13],"InChI=1S/C5H6O2/c6-4-2-7-5-1-3(4)5/h3,5H,1-2H2/t3-,5-/m0/s1","InChI=1S/C5H6O2/c6-5-2-1-3-7-4-5/h3-4H,1-2H2",79.26099,13.17779,
11469,[O:1]=[C:2]1[C:3]([H:8])([H:9])[O:4][C@@:5]2([H:10])[C:6]([H:11])([H:12])[C@@:7]12[H:13],[O:1]1[C:2](=[C:3]([H:8])[H:9])[C@:7]1([C:6]([C:5](=[O:4])[H:10])([H:11])[H:12])[H:13],"InChI=1S/C5H6O2/c6-4-2-7-5-1-3(4)5/h3,5H,1-2H2/t3-,5-/m0/s1","InChI=1S/C5H6O2/c1-4-5(7-4)2-3-6/h3,5H,1-2H2/t5-/m1/s1",57.4315,19.24646,
11470,[O:1]=[C:2]1[C:3]([H:8])([H:9])[O:4][C@@:5]2([H:10])[C:6]([H:11])([H:12])[C@@:7]12[H:13],[H:9][H:10].[O-:1][C:2]1=[C:3]([H:8])[O+:4]=[C:5]2[C:6]([H:11])([H:12])[C@@:7]12[H:13],"InChI=1S/C5H6O2/c6-4-2-7-5-1-3(4)5/h3,5H,1-2H2/t3-,5-/m0/s1","InChI=1S/C5H4O2.H2/c6-4-2-7-5-1-3(4)5;/h2-3H,1H2;1H/t3-;/m0./s1",79.55985,67.21181999999999,
11471,[O:1]=[C:2]1[C:3]([H:8])([H:9])[O:4][C@@:5]2([H:10])[C:6]([H:11])([H:12])[C@@:7]12[H:13],[H:9][H:13].[O-:1][C:2]1=[C:7]2[C@@:5]([H:10])([O+:4]=[C:3]1[H:8])[C:6]2([H:11])[H:12],"InChI=1S/C5H6O2/c6-4-2-7-5-1-3(4)5/h3,5H,1-2H2/t3-,5-/m0/s1","InChI=1S/C5H4O2.H2/c6-4-2-7-5-1-3(4)5;/h2,5H,1H2;1H/t5-;/m0./s1",113.67383999999998,74.4757,
11472,[O:1]=[C:2]1[C:3]([H:8])([H:9])[O:4][C@@:5]2([H:10])[C:6]([H:11])([H:12])[C@@:7]12[H:13],[O:1]=[C:7]([C@:2]12[C:3]([H:8])([H:9])[O:4][C@@:5]1([H:10])[C:6]2([H:11])[H:12])[H:13],"InChI=1S/C5H6O2/c6-4-2-7-5-1-3(4)5/h3,5H,1-2H2/t3-,5-/m0/s1","InChI=1S/C5H6O2/c6-2-5-1-4(5)7-3-5/h2,4H,1,3H2/t4-,5+/m0/s1",81.4809,23.19,
11473,[O:1]=[C:2]1[C:3]([H:8])([H:9])[O:4][C@@:5]2([H:10])[C:6]([H:11])([H:12])[C@@:7]12[H:13],[O:1]=[C:2]1[C:3]([H:8])([H:9])[O:4][C:6]([H:11])([H:12])[C:5]([H:10])=[C:7]1[H:13],"InChI=1S/C5H6O2/c6-4-2-7-5-1-3(4)5/h3,5H,1-2H2/t3-,5-/m0/s1","InChI=1S/C5H6O2/c6-5-2-1-3-7-4-5/h1-2H,3-4H2",62.39218,-11.303519999999999,
11474,[O:1]=[C:2]1[C:3]([H:8])([H:9])[O:4][C@@:5]2([H:10])[C:6]([H:11])([H:12])[C@@:7]12[H:13],[O:1]=[C:2]([C:3]([O:4][H:10])([H:8])[H:9])[C@@:7]1([H:13])[C:5][C:6]1([H:11])[H:12],"InChI=1S/C5H6O2/c6-4-2-7-5-1-3(4)5/h3,5H,1-2H2/t3-,5-/m0/s1","InChI=1S/C5H6O2/c6-3-5(7)4-1-2-4/h4,6H,1,3H2/t4-/m1/s1",68.77776999999999,69.11551999999999,
11475,[O:1]=[C:2]1[C:3]([H:8])([H:9])[O:4][C@@:5]2([H:10])[C:6]([H:11])([H:12])[C@@:7]12[H:13],[H:8][H:9].[O-:1][C:2]1=[C:3]=[O+:4][C@@:5]2([H:10])[C:6]([H:11])([H:12])[C@@:7]12[H:13],"InChI=1S/C5H6O2/c6-4-2-7-5-1-3(4)5/h3,5H,1-2H2/t3-,5-/m0/s1","InChI=1S/C5H4O2.H2/c6-4-2-7-5-1-3(4)5;/h3,5H,1H2;1H/t3-,5-;/m0./s1",74.89791,70.35848,
11476,[O:1]=[C:2]1[C:3]([H:8])([H:9])[O:4][C@@:5]2([H:10])[C:6]([H:11])([H:12])[C@@:7]12[H:13],[O:1]=[C:2]1[C:6]([H:11])([H:12])[C@:5]2([H:10])[O:4][C:3]([H:8])([H:9])[C@:7]12[H:13],"InChI=1S/C5H6O2/c6-4-2-7-5-1-3(4)5/h3,5H,1-2H2/t3-,5-/m0/s1","InChI=1S/C5H6O2/c6-4-1-5-3(4)2-7-5/h3,5H,1-2H2/t3-,5+/m1/s1",82.81756999999999,14.806460000000001,
11477,[O:1]([C:2]1([C:6](=[O:7])[H:13])[C:3]([H:9])([H:10])[O:4][C:5]1([H:11])[H:12])[H:8],[O:1]([C:5]([C@:2]1([C:6](=[O:7])[H:13])[C:3]([H:9])([H:10])[O:4]1)([H:11])[H:12])[H:8],"InChI=1S/C4H6O3/c5-1-4(6)2-7-3-4/h1,6H,2-3H2","InChI=1S/C4H6O3/c5-1-4(2-6)3-7-4/h1,6H,2-3H2/t4-/m1/s1",60.898959999999995,0.85644,
11478,[O:1]([C:2]1([C:6](=[O:7])[H:13])[C:3]([H:9])([H:10])[O:4][C:5]1([H:11])[H:12])[H:8],[O:1]([C@:2]([C:3]([O:4][H:11])([H:9])[H:10])([C:5][H:12])[C:6](=[O:7])[H:13])[H:8],"InChI=1S/C4H6O3/c5-1-4(6)2-7-3-4/h1,6H,2-3H2","InChI=1S/C4H6O3/c1-4(7,2-5)3-6/h1-2,6-7H,3H2/t4-/m1/s1",72.15562,69.286,
11479,[O:1]([C:2]1([C:6](=[O:7])[H:13])[C:3]([H:9])([H:10])[O:4][C:5]1([H:11])[H:12])[H:8],[O:1]([C:2]12[C:3]([H:9])([H:10])[O:7][C:6]1([H:13])[O:4][C:5]2([H:11])[H:12])[H:8],"InChI=1S/C4H6O3/c5-1-4(6)2-7-3-4/h1,6H,2-3H2","InChI=1S/C4H6O3/c5-4-1-6-3(4)7-2-4/h3,5H,1-2H2",70.98489000000001,17.61068,
11480,[O:1]([C:2]1([C:6](=[O:7])[H:13])[C:3]([H:9])([H:10])[O:4][C:5]1([H:11])[H:12])[H:8],[C:6](=[O:7])([H:12])[H:13].[O:1]([C:2]1=[C:5]([H:11])[O:4][C:3]1([H:9])[H:10])[H:8],"InChI=1S/C4H6O3/c5-1-4(6)2-7-3-4/h1,6H,2-3H2","InChI=1S/C3H4O2.CH2O/c4-3-1-5-2-3;1-2/h1,4H,2H2;1H2",56.82676,36.7419,
11481,[O:1]([C:2]1([C:6](=[O:7])[H:13])[C:3]([H:9])([H:10])[O:4][C:5]1([H:11])[H:12])[H:8],[O:1]([O:7][C:6](=[C:2]1[C:3]([H:9])([H:10])[O:4][C:5]1([H:11])[H:12])[H:13])[H:8],"InChI=1S/C4H6O3/c5-1-4(6)2-7-3-4/h1,6H,2-3H2","InChI=1S/C4H6O3/c5-7-3-4-1-6-2-4/h3,5H,1-2H2",93.28031999999999,71.11428000000001,ketoenol
11482,[O:1]([C:2]1([C:6](=[O:7])[H:13])[C:3]([H:9])([H:10])[O:4][C:5]1([H:11])[H:12])[H:8],[C:2]1([C:6](=[O:7])[H:13])=[C:5]([H:12])[O:4][C:3]1([H:9])[H:10].[O:1]([H:8])[H:11],"InChI=1S/C4H6O3/c5-1-4(6)2-7-3-4/h1,6H,2-3H2","InChI=1S/C4H4O2.H2O/c5-1-4-2-6-3-4;/h1-2H,3H2;1H2",67.91623,12.65438,"1,3_Insertion_ROR"
11483,[O:1]([C:2]1([C:6](=[O:7])[H:13])[C:3]([H:9])([H:10])[O:4][C:5]1([H:11])[H:12])[H:8],[O:1]=[C:2]1[C:3]([H:9])([H:10])[O:4][C:5]([H:11])([H:12])[C@@:6]1([O:7][H:8])[H:13],"InChI=1S/C4H6O3/c5-1-4(6)2-7-3-4/h1,6H,2-3H2","InChI=1S/C4H6O3/c5-3-1-7-2-4(3)6/h3,5H,1-2H2/t3-/m0/s1",24.57636,-17.09347,
11484,[O:1]([C:2]1([C:6](=[O:7])[H:13])[C:3]([H:9])([H:10])[O:4][C:5]1([H:11])[H:12])[H:8],[O:1]([C:2]1=[C:6]([H:13])[O:7][C:5]([H:11])([H:12])[O:4][C:3]1([H:9])[H:10])[H:8],"InChI=1S/C4H6O3/c5-1-4(6)2-7-3-4/h1,6H,2-3H2","InChI=1S/C4H6O3/c5-4-1-6-3-7-2-4/h1,5H,2-3H2",46.848659999999995,-5.76423,ketoenol
11485,[O:1]([C:2]1([C:6](=[O:7])[H:13])[C:3]([H:9])([H:10])[O:4][C:5]1([H:11])[H:12])[H:8],[O:1]([C@:2]([C:5]([O+:4]=[C-:3][H:10])([H:11])[H:12])([C:6](=[O:7])[H:13])[H:9])[H:8],"InChI=1S/C4H6O3/c5-1-4(6)2-7-3-4/h1,6H,2-3H2","InChI=1S/C4H6O3/c1-7-3-4(6)2-5/h1-2,4,6H,3H2/t4-/m0/s1",71.23510999999999,51.35667,
11486,[O:1]([C:2]1([C:6](=[O:7])[H:13])[C:3]([H:9])([H:10])[O:4][C:5]1([H:11])[H:12])[H:8],[O:1]1[C:2]2([C:3]([H:9])([H:10])[O:4][C:5]2([H:11])[H:12])[C@@:6]1([O:7][H:8])[H:13],"InChI=1S/C4H6O3/c5-1-4(6)2-7-3-4/h1,6H,2-3H2","InChI=1S/C4H6O3/c5-3-4(7-3)1-6-2-4/h3,5H,1-2H2/t3-/m1/s1",47.68036,19.09287,
11487,[O:1]([C:2]1([C:6](=[O:7])[H:13])[C:3]([H:9])([H:10])[O:4][C:5]1([H:11])[H:12])[H:8],[O:1]([C:2](=[C:3]([H:9])[H:10])[C:6](=[O:7])[H:13])[H:8].[O:4]=[C:5]([H:11])[H:12],"InChI=1S/C4H6O3/c5-1-4(6)2-7-3-4/h1,6H,2-3H2","InChI=1S/C3H4O2.CH2O/c1-3(5)2-4;1-2/h2,5H,1H2;1H2",34.881040000000006,-4.1616,2+2_cycloaddition
11488,[O:1]([C:2]1([C:6](=[O:7])[H:13])[C:3]([H:9])([H:10])[O:4][C:5]1([H:11])[H:12])[H:8],[O:1]([C:2]([C:3]([O:4][C:5]([H:11])([H:12])[H:13])([H:9])[H:10])=[C:6]=[O:7])[H:8],"InChI=1S/C4H6O3/c5-1-4(6)2-7-3-4/h1,6H,2-3H2","InChI=1S/C4H6O3/c1-7-3-4(6)2-5/h6H,3H2,1H3",36.60646,5.29624,
11489,[O:1]([C:2]1([C:6](=[O:7])[H:13])[C:3]([H:9])([H:10])[O:4][C:5]1([H:11])[H:12])[H:8],[H:9][H:10].[O:1]([C@:2]1([C:6](=[O:7])[H:13])[C-:3]=[O+:4][C:5]1([H:11])[H:12])[H:8],"InChI=1S/C4H6O3/c5-1-4(6)2-7-3-4/h1,6H,2-3H2","InChI=1S/C4H4O3.H2/c5-1-4(6)2-7-3-4;/h1,6H,2H2;1H/t4-;/m0./s1",78.96173,72.4894,
11490,[O:1]([C:2]1([C:6](=[O:7])[H:13])[C:3]([H:9])([H:10])[O:4][C:5]1([H:11])[H:12])[H:8],[O:1]([C:2]([C:3]([O:4][C:6](=[O:7])[H:13])([H:9])[H:10])=[C:5]([H:11])[H:12])[H:8],"InChI=1S/C4H6O3/c5-1-4(6)2-7-3-4/h1,6H,2-3H2","InChI=1S/C4H6O3/c1-4(6)2-7-3-5/h3,6H,1-2H2",74.14461,-22.3512,
11491,[O:1]([C:2]1([C:6](=[O:7])[H:13])[C:3]([H:9])([H:10])[O:4][C:5]1([H:11])[H:12])[H:8],[O:1]([C@@:2]12[C:3]([H:9])([H:10])[O:4][O:7][C@:6]1([H:13])[C:5]2([H:11])[H:12])[H:8],"InChI=1S/C4H6O3/c5-1-4(6)2-7-3-4/h1,6H,2-3H2","InChI=1S/C4H6O3/c5-4-1-3(4)7-6-2-4/h3,5H,1-2H2/t3-,4+/m1/s1",86.28733000000001,57.543969999999995,
11492,[O:1]([C:2]1([C:6](=[O:7])[H:13])[C:3]([H:9])([H:10])[O:4][C:5]1([H:11])[H:12])[H:8],[O:1]([C:2]1([O+:7]=[C-:6][H:13])[C:3]([H:9])([H:10])[O:4][C:5]1([H:11])[H:12])[H:8],"InChI=1S/C4H6O3/c5-1-4(6)2-7-3-4/h1,6H,2-3H2","InChI=1S/C4H6O3/c1-6-4(5)2-7-3-4/h1,5H,2-3H2",102.08225,66.42161,
11493,[O:1]([C:2]1([C:6](=[O:7])[H:13])[C:3]([H:9])([H:10])[O:4][C:5]1([H:11])[H:12])[H:8],[C-:6]#[O+:7].[O:1]([C:2]1([H:13])[C:3]([H:9])([H:10])[O:4][C:5]1([H:11])[H:12])[H:8],"InChI=1S/C4H6O3/c5-1-4(6)2-7-3-4/h1,6H,2-3H2","InChI=1S/C3H6O2.CO/c4-3-1-5-2-3;1-2/h3-4H,1-2H2;",75.17255,5.2316,"1,2_Insertion_CO"
11494,[C:1]([c:2]1[n:3][o:4][c:5]([N:6]([H:11])[H:12])[c:7]1[H:13])([H:8])([H:9])[H:10],[C:1]([N:3]=[C:2]=[C:7]([C:5](=[O:4])[N:6]([H:11])[H:12])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-3-2-4(5)7-6-3/h2H,5H2,1H3","InChI=1S/C4H6N2O/c1-6-3-2-4(5)7/h2H,1H3,(H2,5,7)",43.70178,-11.27534,
11495,[C:1]([c:2]1[n:3][o:4][c:5]([N:6]([H:11])[H:12])[c:7]1[H:13])([H:8])([H:9])[H:10],[C:1]([C:2]([N:3]=[O:4])=[C:7]=[C:5]([N:6]([H:11])[H:12])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-3-2-4(5)7-6-3/h2H,5H2,1H3","InChI=1S/C4H6N2O/c1-4(6-7)2-3-5/h3H,5H2,1H3",80.23535,62.540409999999994,
11496,[C:1]([c:2]1[n:3][o:4][c:5]([N:6]([H:11])[H:12])[c:7]1[H:13])([H:8])([H:9])[H:10],[C:1]([C:2]1=[N:3][O:4]/[C:5](=[N:6]\[H:12])[C:7]1([H:11])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-3-2-4(5)7-6-3/h2H,5H2,1H3","InChI=1S/C4H6N2O/c1-3-2-4(5)7-6-3/h5H,2H2,1H3/b5-4-",69.2175,8.153960000000001,
11497,[C:1]([c:2]1[n:3][o:4][c:5]([N:6]([H:11])[H:12])[c:7]1[H:13])([H:8])([H:9])[H:10],[C:1]([C:2]#[N+:3][O-:4])([H:8])([H:9])[H:10].[C:5]([N:6]([H:11])[H:12])#[C:7][H:13],"InChI=1S/C4H6N2O/c1-3-2-4(5)7-6-3/h2H,5H2,1H3","InChI=1S/C2H3NO.C2H3N/c1-2-3-4;1-2-3/h1H3;1H,3H2",81.50466999999999,79.17645,
11498,[C:1]([c:2]1[n:3][o:4][c:5]([N:6]([H:11])[H:12])[c:7]1[H:13])([H:8])([H:9])[H:10],[C:1]([c:2]1[n:3]([H:12])[o:4]/[c:5](=[N:6]/[H:11])[c:7]1[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-3-2-4(5)7-6-3/h2H,5H2,1H3","InChI=1S/C4H6N2O/c1-3-2-4(5)7-6-3/h2,5-6H,1H3/b5-4+",99.15982,17.68199,
11499,[C:1]([c:2]1[n:3][o:4][c:5]([N:6]([H:11])[H:12])[c:7]1[H:13])([H:8])([H:9])[H:10],[C:1](=[C:2]1[N-:3][O+:4]=[C:5]([N:6]([H:11])[H:12])[C:7]1([H:9])[H:13])([H:8])[H:10],"InChI=1S/C4H6N2O/c1-3-2-4(5)7-6-3/h2H,5H2,1H3","InChI=1S/C4H6N2O/c1-3-2-4(5)7-6-3/h1-2,5H2",85.96983,49.33048,
11500,[C:1]([c:2]1[n:3][o:4][c:5]([N:6]([H:11])[H:12])[c:7]1[H:13])([H:8])([H:9])[H:10],[C:1]([C@:2]1([N:3]=[O:4])[C:5]([N:6]([H:11])[H:12])=[C:7]1[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-3-2-4(5)7-6-3/h2H,5H2,1H3","InChI=1S/C4H6N2O/c1-4(6-7)2-3(4)5/h2H,5H2,1H3/t4-/m1/s1",84.37234000000001,76.53048000000001,ketoenol
11501,[C:1]([c:2]1[n:3][o:4][c:5]([N:6]([H:11])[H:12])[c:7]1[H:13])([H:8])([H:9])[H:10],[C:1](/[C:2]([N:3]=[O:4])=[C:7](/[C:5]#[N:6])[H:13])([H:8])([H:9])[H:10].[H:11][H:12],"InChI=1S/C4H6N2O/c1-3-2-4(5)7-6-3/h2H,5H2,1H3","InChI=1S/C4H4N2O.H2/c1-4(6-7)2-3-5;/h2H,1H3;1H/b4-2-;",87.83751,64.24332,
11502,[C:1]([c:2]1[n:3][o:4][c:5]([N:6]([H:11])[H:12])[c:7]1[H:13])([H:8])([H:9])[H:10],[C:1]([C@@:7]([C:2]#[N:3])([C:5](=[O:4])[N:6]([H:11])[H:12])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-3-2-4(5)7-6-3/h2H,5H2,1H3","InChI=1S/C4H6N2O/c1-3(2-5)4(6)7/h3H,1H3,(H2,6,7)/t3-/m0/s1",53.1736,-33.3673,
11503,[C:1]([c:2]1[n:3][o:4][c:5]([N:6]([H:11])[H:12])[c:7]1[H:13])([H:8])([H:9])[H:10],[C:1](/[C:2]([N:3]=[O:4])=[C:7](/[C:5][N:6]([H:11])[H:12])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-3-2-4(5)7-6-3/h2H,5H2,1H3","InChI=1S/C4H6N2O/c1-4(6-7)2-3-5/h2H,5H2,1H3/b4-2-",81.19216999999999,75.31994,
11504,[C:1]([c:2]1[n:3][o:4][c:5]([N:6]([H:11])[H:12])[c:7]1[H:13])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:7]=[C:5]([N:6]([H:11])[H:12])[O:4][N:3]1[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-3-2-4(5)7-6-3/h2H,5H2,1H3","InChI=1S/C4H6N2O/c1-3-2-4(5)7-6-3/h6H,5H2,1H3",96.51343,53.314969999999995,
11505,[C:1]([c:2]1[n:3][o:4][c:5]([N:6]([H:11])[H:12])[c:7]1[H:13])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:7]([H:13])[C:5]([N:6]([H:11])[H:12])=[N+:3]1[O-:4])([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-3-2-4(5)7-6-3/h2H,5H2,1H3","InChI=1S/C4H6N2O/c1-3-2-4(5)6(3)7/h2H,5H2,1H3",81.17414000000001,71.78156,
11506,[C:1]([c:2]1[n:3][o:4][c:5]([N:6]([H:11])[H:12])[c:7]1[H:13])([H:8])([H:9])[H:10],[C:1](=[C:2]1[N-:3][O+:4]=[C:5]=[C:7]1[H:13])([H:8])[H:10].[N:6]([H:9])([H:11])[H:12],"InChI=1S/C4H6N2O/c1-3-2-4(5)7-6-3/h2H,5H2,1H3","InChI=1S/C4H3NO.H3N/c1-4-2-3-6-5-4;/h2H,1H2;1H3",133.47762,100.98442,
11507,[C:1]([c:2]1[n:3][o:4][c:5]([N:6]([H:11])[H:12])[c:7]1[H:13])([H:8])([H:9])[H:10],[C:1]([C:2]1=[N:3][C@@:7]1([C:5](=[O:4])[N:6]([H:11])[H:12])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-3-2-4(5)7-6-3/h2H,5H2,1H3","InChI=1S/C4H6N2O/c1-2-3(6-2)4(5)7/h3H,1H3,(H2,5,7)/t3-/m0/s1",42.14643,-1.07166,ketoenol
11508,[C:1]([c:2]1[n:3][o:4][c:5]([N:6]([H:11])[H:12])[c:7]1[H:13])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:7]=[C:5]([N+:6]([H:11])([H:12])[H:13])[O:4][N-:3]1)([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-3-2-4(5)7-6-3/h2H,5H2,1H3","InChI=1S/C4H5N2O/c1-3-2-4(5)7-6-3/h5H2,1H3/q-1/p+1",86.3822,79.5245,
11509,[N:1](=[C:2](/[O:3][C:4]([C:5]([C:6]#[N:7])([H:12])[H:13])([H:10])[H:11])[H:9])\[H:8],[N:1]([C-:2]=[O+:3][C:4]([C:5]([C:6]#[N:7])([H:12])[H:13])([H:10])[H:11])([H:8])[H:9],"InChI=1S/C4H6N2O/c5-2-1-3-7-4-6/h4,6H,1,3H2/b6-4+","InChI=1S/C4H6N2O/c5-2-1-3-7-4-6/h1,3,6H2",79.36437,36.09944,
11510,[N:1](=[C:2](/[O:3][C:4]([C:5]([C:6]#[N:7])([H:12])[H:13])([H:10])[H:11])[H:9])\[H:8],[N:1](=[C:6]1[C:2]([H:9])=[O+:3][C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[N-:7]1)[H:8],"InChI=1S/C4H6N2O/c5-2-1-3-7-4-6/h4,6H,1,3H2/b6-4+","InChI=1S/C4H6N2O/c5-4-3-7-2-1-6-4/h3H,1-2H2,(H-,5,6)",109.51746999999999,47.3669,
11511,[N:1](=[C:2](/[O:3][C:4]([C:5]([C:6]#[N:7])([H:12])[H:13])([H:10])[H:11])[H:9])\[H:8],[N:1]1([H:8])[C:2]([H:9])=[O+:3][C-:4]([H:11])[C:5]([H:12])([H:13])[C:6]([H:10])=[N:7]1,"InChI=1S/C4H6N2O/c5-2-1-3-7-4-6/h4,6H,1,3H2/b6-4+","InChI=1S/C4H6N2O/c1-2-5-6-4-7-3-1/h2-4,6H,1H2",94.92305999999999,84.20589,
11512,[N:1](=[C:2](/[O:3][C:4]([C:5]([C:6]#[N:7])([H:12])[H:13])([H:10])[H:11])[H:9])\[H:8],[N:1](=[C:2]([H:9])[H:11])[H:8].[O:3]=[C:4]([C:5]([C:6]#[N:7])([H:12])[H:13])[H:10],"InChI=1S/C4H6N2O/c5-2-1-3-7-4-6/h4,6H,1,3H2/b6-4+","InChI=1S/C3H3NO.CH3N/c4-2-1-3-5;1-2/h3H,1H2;2H,1H2",72.18144000000001,22.42778,
11513,[N:1](=[C:2](/[O:3][C:4]([C:5]([C:6]#[N:7])([H:12])[H:13])([H:10])[H:11])[H:9])\[H:8],[N:1]([C:2](=[O:3])[H:9])([C:4]([C:5]([C:6]#[N:7])([H:12])[H:13])([H:10])[H:11])[H:8],"InChI=1S/C4H6N2O/c5-2-1-3-7-4-6/h4,6H,1,3H2/b6-4+","InChI=1S/C4H6N2O/c5-2-1-3-6-4-7/h4H,1,3H2,(H,6,7)",44.73979,-14.235079999999998,ketoenol
11514,[N:1](=[C:2](/[O:3][C:4]([C:5]([C:6]#[N:7])([H:12])[H:13])([H:10])[H:11])[H:9])\[H:8],[C:4](=[C:5]([H:12])[H:13])([H:10])[H:11].[N:1](=[C:2](/[O:3][C:6]#[N:7])[H:9])\[H:8],"InChI=1S/C4H6N2O/c5-2-1-3-7-4-6/h4,6H,1,3H2/b6-4+","InChI=1S/C2H2N2O.C2H4/c3-1-5-2-4;1-2/h1,3H;1-2H2/b3-1+;",73.00354,39.13347,
11515,[N:1](=[C:2](/[O:3][C:4]([C:5]([C:6]#[N:7])([H:12])[H:13])([H:10])[H:11])[H:9])\[H:8],[N:1](=[C:2](/[O:3][C:4]([C:5]([N+:7]#[C-:6])([H:12])[H:13])([H:10])[H:11])[H:9])\[H:8],"InChI=1S/C4H6N2O/c5-2-1-3-7-4-6/h4,6H,1,3H2/b6-4+","InChI=1S/C4H6N2O/c1-6-2-3-7-4-5/h4-5H,2-3H2/b5-4+",59.95929,26.68715,
11516,[N:1](=[C:2](/[O:3][C:4]([C:5]([C:6]#[N:7])([H:12])[H:13])([H:10])[H:11])[H:9])\[H:8],[N:1](=[C:2]([N:7]=[C:6]=[C:5]([H:12])[H:13])[H:9])[H:8].[O:3]=[C:4]([H:10])[H:11],"InChI=1S/C4H6N2O/c5-2-1-3-7-4-6/h4,6H,1,3H2/b6-4+","InChI=1S/C3H4N2.CH2O/c1-2-5-3-4;1-2/h3-4H,1H2;1H2",63.9908,41.50994,
11517,[N:1](=[C:2](/[O:3][C:4]([C:5]([C:6]#[N:7])([H:12])[H:13])([H:10])[H:11])[H:9])\[H:8],[C:4](=[C:5]([H:12])[H:13])([H:10])[H:11].[N:1]([C:2](=[O:3])[H:9])([N+:7]#[C-:6])[H:8],"InChI=1S/C4H6N2O/c5-2-1-3-7-4-6/h4,6H,1,3H2/b6-4+","InChI=1S/C2H2N2O.C2H4/c1-3-4-2-5;1-2/h2H,(H,4,5);1-2H2",84.43337,64.92916,
11518,[N:1](=[C:2](/[O:3][C:4]([C:5]([C:6]#[N:7])([H:12])[H:13])([H:10])[H:11])[H:9])\[H:8],[N:1](=[C:2](/[O:3][C:4]([C:5](=[C:6]=[N:7][H:13])[H:12])([H:10])[H:11])[H:9])\[H:8],"InChI=1S/C4H6N2O/c5-2-1-3-7-4-6/h4,6H,1,3H2/b6-4+","InChI=1S/C4H6N2O/c5-2-1-3-7-4-6/h1,4-6H,3H2/b6-4+",80.13671,18.435589999999998,
11519,[N:1](=[C:2](/[O:3][C:4]([C:5]([C:6]#[N:7])([H:12])[H:13])([H:10])[H:11])[H:9])\[H:8],[N:1]1([H:8])[C@:2]2([H:9])[O:3][C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[C:6]1=[N:7]2,"InChI=1S/C4H6N2O/c5-2-1-3-7-4-6/h4,6H,1,3H2/b6-4+","InChI=1S/C4H6N2O/c1-2-7-4-5-3(1)6-4/h4H,1-2H2,(H,5,6)",80.77091,72.58277,
11520,[N:1](=[C:2](/[O:3][C:4]([C:5]([C:6]#[N:7])([H:12])[H:13])([H:10])[H:11])[H:9])\[H:8],[N:1]1([H:8])[C:2]([H:9])([H:12])[O:3][C:4]([H:10])([H:11])[C:5]([H:13])=[C:6]=[N:7]1,"InChI=1S/C4H6N2O/c5-2-1-3-7-4-6/h4,6H,1,3H2/b6-4+","InChI=1S/C4H6N2O/c1-2-5-6-4-7-3-1/h1,6H,3-4H2",78.30416,64.81396,
11521,[N:1](=[C:2](/[O:3][C:4]([C:5]([C:6]#[N:7])([H:12])[H:13])([H:10])[H:11])[H:9])\[H:8],[N:1]1=[C:2]([H:9])[O:3][C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[C:6][N:7]1[H:8],"InChI=1S/C4H6N2O/c5-2-1-3-7-4-6/h4,6H,1,3H2/b6-4+","InChI=1S/C4H6N2O/c1-2-5-6-4-7-3-1/h4-5H,1,3H2",73.37278,66.03362,
11522,[N:1](=[C:2](/[O:3][C:4]([C:5]([C:6]#[N:7])([H:12])[H:13])([H:10])[H:11])[H:9])\[H:8],[C:4](=[C:5]([C:6]#[N:7])[H:12])([H:10])[H:11].[N:1]([C:2](=[O:3])[H:9])([H:8])[H:13],"InChI=1S/C4H6N2O/c5-2-1-3-7-4-6/h4,6H,1,3H2/b6-4+","InChI=1S/C3H3N.CH3NO/c1-2-3-4;2-1-3/h2H,1H2;1H,(H2,2,3)",28.0495,0.77776,Retroene
11523,[N:1](=[C:2](/[O:3][C:4]([C:5]([C:6]#[N:7])([H:12])[H:13])([H:10])[H:11])[H:9])\[H:8],[N:1]1([H:8])[C:2]([H:9])([H:13])[O:3][C:4]([H:10])([H:11])[C@:5]1([C:6]#[N:7])[H:12],"InChI=1S/C4H6N2O/c5-2-1-3-7-4-6/h4,6H,1,3H2/b6-4+","InChI=1S/C4H6N2O/c5-1-4-2-7-3-6-4/h4,6H,2-3H2/t4-/m1/s1",85.47213,12.16202,
11524,[N:1](=[C:2](/[O:3][C:4]([C:5]([C:6]#[N:7])([H:12])[H:13])([H:10])[H:11])[H:9])\[H:8],[N-:1]([N+:7]#[C:6][C:5]([C:4]([O+:3]=[C-:2][H:9])([H:10])[H:11])([H:12])[H:13])[H:8],"InChI=1S/C4H6N2O/c5-2-1-3-7-4-6/h4,6H,1,3H2/b6-4+","InChI=1S/C4H6N2O/c1-7-4-2-3-6-5/h1,5H,2,4H2",112.7471,113.26827,
11525,[N:1](=[C:2](/[O:3][C:4]([C:5]([C:6]#[N:7])([H:12])[H:13])([H:10])[H:11])[H:9])\[H:8],[N:1]1([H:8])[C-:2]=[O+:3][C:4]([H:10])([H:11])[C:5]([H:12])([H:13])/[C:6]1=[N:7]/[H:9],"InChI=1S/C4H6N2O/c5-2-1-3-7-4-6/h4,6H,1,3H2/b6-4+","InChI=1S/C4H6N2O/c5-4-1-2-7-3-6-4/h1-2H2,(H2,5,6)",97.03191,27.81083,
11526,[N:1](=[C:2](/[O:3][C:4]([C:5]([C:6]#[N:7])([H:12])[H:13])([H:10])[H:11])[H:9])\[H:8],[N:1]([C@@:2]1([H:9])[O:3][C:4]([H:10])([H:11])[C:5]1([H:12])[H:13])([C:6]#[N:7])[H:8],"InChI=1S/C4H6N2O/c5-2-1-3-7-4-6/h4,6H,1,3H2/b6-4+","InChI=1S/C4H6N2O/c5-3-6-4-1-2-7-4/h4,6H,1-2H2/t4-/m0/s1",85.05954,21.60918,
11527,[N:1](=[C:2](/[O:3][C:4]([C:5]([C:6]#[N:7])([H:12])[H:13])([H:10])[H:11])[H:9])\[H:8],[N:1](=[C:2](\[O:3][H:9])[C:4]([C:5]([C:6]#[N:7])([H:12])[H:13])([H:10])[H:11])\[H:8],"InChI=1S/C4H6N2O/c5-2-1-3-7-4-6/h4,6H,1,3H2/b6-4+","InChI=1S/C4H6N2O/c5-3-1-2-4(6)7/h1-2H2,(H2,6,7)",107.31113,-11.83791,
11528,[N:1](=[C:2](/[O:3][C:4]([C:5]([C:6]#[N:7])([H:12])[H:13])([H:10])[H:11])[H:9])\[H:8],[C:5](=[C:6]=[N:7][H:8])([H:12])[H:13].[N:1]#[C:2][H:9].[O:3]=[C:4]([H:10])[H:11],"InChI=1S/C4H6N2O/c5-2-1-3-7-4-6/h4,6H,1,3H2/b6-4+","InChI=1S/C2H3N.CHN.CH2O/c1-2-3;2*1-2/h3H,1H2;1H;1H2",54.699169999999995,51.26753,
11529,[N:1](=[C:2](/[O:3][C:4]([C:5]([C:6]#[N:7])([H:12])[H:13])([H:10])[H:11])[H:9])\[H:8],[N:1](=[C:2])[H:8].[O:3]([C:4]([C:5]([C:6]#[N:7])([H:12])[H:13])([H:10])[H:11])[H:9],"InChI=1S/C4H6N2O/c5-2-1-3-7-4-6/h4,6H,1,3H2/b6-4+","InChI=1S/C3H5NO.CHN/c4-2-1-3-5;1-2/h5H,1,3H2;2H",64.16098000000001,35.3589,
11530,[N:1](=[C:2](/[O:3][C:4]([C:5]([C:6]#[N:7])([H:12])[H:13])([H:10])[H:11])[H:9])\[H:8],[C:6](#[N:7])[H:11].[N:1](=[C:2](/[O:3][C:4](=[C:5]([H:12])[H:13])[H:10])[H:9])\[H:8],"InChI=1S/C4H6N2O/c5-2-1-3-7-4-6/h4,6H,1,3H2/b6-4+","InChI=1S/C3H5NO.CHN/c1-2-5-3-4;1-2/h2-4H,1H2;1H/b4-3+;",82.41003,27.29386,
11531,[N:1](=[C:2](/[O:3][C:4]([C:5]([C:6]#[N:7])([H:12])[H:13])([H:10])[H:11])[H:9])\[H:8],[N:1](=[C:2](/[C:5]([C:6]#[N:7])([H:12])[H:13])[H:9])\[H:8].[O:3]=[C:4]([H:10])[H:11],"InChI=1S/C4H6N2O/c5-2-1-3-7-4-6/h4,6H,1,3H2/b6-4+","InChI=1S/C3H4N2.CH2O/c4-2-1-3-5;1-2/h2,4H,1H2;1H2/b4-2+;",84.09219,23.76284,
11532,[N:1](=[C:2](/[O:3][C:4]([C:5]([C:6]#[N:7])([H:12])[H:13])([H:10])[H:11])[H:9])\[H:8],[N:1](=[C:2](/[O:3][C@:4]1([H:11])[C:5]([H:12])([H:13])[C:6][N:7]1[H:10])[H:9])\[H:8],"InChI=1S/C4H6N2O/c5-2-1-3-7-4-6/h4,6H,1,3H2/b6-4+","InChI=1S/C4H6N2O/c5-3-7-4-1-2-6-4/h3-6H,1H2/b5-3+/t4-/m1/s1",106.73763000000001,64.46992,
11533,[N:1](=[C:2](/[O:3][C:4]([C:5]([C:6]#[N:7])([H:12])[H:13])([H:10])[H:11])[H:9])\[H:8],[N:1]([C:2](=[O+:3][C-:4]([H:10])[H:11])[H:9])([C:5]([C:6]#[N:7])([H:12])[H:13])[H:8],"InChI=1S/C4H6N2O/c5-2-1-3-7-4-6/h4,6H,1,3H2/b6-4+","InChI=1S/C4H6N2O/c1-7-4-6-3-2-5/h4,6H,1,3H2",75.28901,68.41648,
11534,[N:1](=[C:2](/[O:3][C:4]([C:5]([C:6]#[N:7])([H:12])[H:13])([H:10])[H:11])[H:9])\[H:8],[N:1]([C:2]1=[N+:7]=[C-:6][C:5]([H:12])([H:13])[C:4]([H:10])([H:11])[O:3]1)([H:8])[H:9],"InChI=1S/C4H6N2O/c5-2-1-3-7-4-6/h4,6H,1,3H2/b6-4+","InChI=1S/C4H6N2O/c5-4-6-2-1-3-7-4/h1,3,5H2",107.31045,50.074459999999995,
11535,[N:1](=[C:2](/[O:3][C:4]([C:5]([C:6]#[N:7])([H:12])[H:13])([H:10])[H:11])[H:9])\[H:8],[N:1]1([H:8])[C@:2]([C:6]#[N:7])([H:9])[O:3][C:4]([H:10])([H:11])[C:5]1([H:12])[H:13],"InChI=1S/C4H6N2O/c5-2-1-3-7-4-6/h4,6H,1,3H2/b6-4+","InChI=1S/C4H6N2O/c5-3-4-6-1-2-7-4/h4,6H,1-2H2/t4-/m1/s1",90.34735,13.46325,
11536,[N:1](=[C:2](/[O:3][C:4]([C:5]([C:6]#[N:7])([H:12])[H:13])([H:10])[H:11])[H:9])\[H:8],[N:1]12[C:2]([H:8])([H:9])[O:3][C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[C:6]1=[N:7]2,"InChI=1S/C4H6N2O/c5-2-1-3-7-4-6/h4,6H,1,3H2/b6-4+",InChI=1S/C4H6N2O/c1-2-7-3-6-4(1)5-6/h1-3H2,94.34895999999999,64.90608,
11537,[N:1](=[C:2](/[O:3][C:4]([C:5]([C:6]#[N:7])([H:12])[H:13])([H:10])[H:11])[H:9])\[H:8],[C:5]([C:6]#[N:7])([H:8])([H:12])[H:13].[N:1]#[C:2][H:9].[O:3]=[C:4]([H:10])[H:11],"InChI=1S/C4H6N2O/c5-2-1-3-7-4-6/h4,6H,1,3H2/b6-4+",InChI=1S/C2H3N.CHN.CH2O/c1-2-3;2*1-2/h1H3;1H;1H2,66.28349,29.397009999999998,
11538,[N:1](=[C:2](/[O:3][C:4]([C:5]([C:6]#[N:7])([H:12])[H:13])([H:10])[H:11])[H:9])\[H:8],[N:1]([C:2](=[O+:3][C-:4]([H:10])[H:11])[H:9])([C:6]1=[N:7][C:5]1([H:12])[H:13])[H:8],"InChI=1S/C4H6N2O/c5-2-1-3-7-4-6/h4,6H,1,3H2/b6-4+","InChI=1S/C4H6N2O/c1-7-3-6-4-2-5-4/h3H,1-2H2,(H,5,6)",103.05516999999999,94.49001,
11539,[N:1](=[C:2](/[O:3][C:4]([C:5]([C:6]#[N:7])([H:12])[H:13])([H:10])[H:11])[H:9])\[H:8],[N:1]1([H:8])[C:2]([H:9])=[O+:3][C:4]([H:10])([H:11])[C:6](=[C:5]([H:12])[H:13])[N-:7]1,"InChI=1S/C4H6N2O/c5-2-1-3-7-4-6/h4,6H,1,3H2/b6-4+","InChI=1S/C4H6N2O/c1-4-2-7-3-5-6-4/h3,5H,1-2H2",105.93506000000001,43.87785,
11540,[N:1](=[C:2](/[O:3][C:4]([C:5]([C:6]#[N:7])([H:12])[H:13])([H:10])[H:11])[H:9])\[H:8],[N:1](=[C:2]1/[O:3][C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[C-:6]=[N+:7]1[H:9])\[H:8],"InChI=1S/C4H6N2O/c5-2-1-3-7-4-6/h4,6H,1,3H2/b6-4+","InChI=1S/C4H6N2O/c5-4-6-2-1-3-7-4/h5-6H,1,3H2/b5-4+",86.83872,39.79203,
11541,[C:1]([c:2]1[c:3]([H:11])[c:4]([C:5]([H:12])([H:13])[H:14])[c:6]([H:15])[n:7]1[H:16])([H:8])([H:9])[H:10],[C:1]([C:3](=[C:2]=[N:7][H:16])[H:11])([H:8])([H:9])[H:10].[C:4]([C:5]([H:12])([H:13])[H:14])#[C:6][H:15],"InChI=1S/C6H9N/c1-5-3-6(2)7-4-5/h3-4,7H,1-2H3","InChI=1S/C3H5N.C3H4/c1-2-3-4;1-3-2/h2,4H,1H3;1H,2H3",131.00501,71.48062,
11542,[C:1]([c:2]1[c:3]([H:11])[c:4]([C:5]([H:12])([H:13])[H:14])[c:6]([H:15])[n:7]1[H:16])([H:8])([H:9])[H:10],[C:1]([C:2]1=[N:7][C:6]([H:15])=[C:4]([C:5]([H:12])([H:13])[H:14])[C:3]1([H:11])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-5-3-6(2)7-4-5/h3-4,7H,1-2H3","InChI=1S/C6H9N/c1-5-3-6(2)7-4-5/h4H,3H2,1-2H3",43.06604,13.00174,
11543,[C:1]([c:2]1[c:3]([H:11])[c:4]([C:5]([H:12])([H:13])[H:14])[c:6]([H:15])[n:7]1[H:16])([H:8])([H:9])[H:10],[C:1](=[C:2]1[C:3]([H:11])=[C:4]([C:5]([H:12])([H:13])[H:14])[C:6]([H:10])([H:15])[N:7]1[H:16])([H:8])[H:9],"InChI=1S/C6H9N/c1-5-3-6(2)7-4-5/h3-4,7H,1-2H3","InChI=1S/C6H9N/c1-5-3-6(2)7-4-5/h3,7H,2,4H2,1H3",82.86413,18.30857,Intra_ene_reaction
11544,[C:1]([c:2]1[c:3]([H:11])[c:4]([C:5]([H:12])([H:13])[H:14])[c:6]([H:15])[n:7]1[H:16])([H:8])([H:9])[H:10],[C:1](/[C:2]([C@@:3]1([H:11])[C:4]([C:5]([H:12])([H:13])[H:14])=[C:6]1[H:15])=[N:7]\[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-5-3-6(2)7-4-5/h3-4,7H,1-2H3","InChI=1S/C6H9N/c1-4-3-6(4)5(2)7/h3,6-7H,1-2H3/b7-5+/t6-/m1/s1",89.88309,55.497569999999996,
11545,[C:1]([c:2]1[c:3]([H:11])[c:4]([C:5]([H:12])([H:13])[H:14])[c:6]([H:15])[n:7]1[H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:16])[C:3]([H:11])=[C:4]([C:5]([H:12])([H:13])[H:14])[C:6]([H:15])=[N:7]1)([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-5-3-6(2)7-4-5/h3-4,7H,1-2H3","InChI=1S/C6H9N/c1-5-3-6(2)7-4-5/h3-4,6H,1-2H3/t6-/m0/s1",43.052690000000005,14.9779,
11546,[C:1]([c:2]1[c:3]([H:11])[c:4]([C:5]([H:12])([H:13])[H:14])[c:6]([H:15])[n:7]1[H:16])([H:8])([H:9])[H:10],[C:1](=[C:2]1[C:3]([H:10])([H:11])[C:4]([C:5]([H:12])([H:13])[H:14])=[C:6]([H:15])[N:7]1[H:16])([H:8])[H:9],"InChI=1S/C6H9N/c1-5-3-6(2)7-4-5/h3-4,7H,1-2H3","InChI=1S/C6H9N/c1-5-3-6(2)7-4-5/h4,7H,2-3H2,1H3",81.32046,20.272470000000002,
11547,[C:1]([c:2]1[c:3]([H:11])[c:4]([C:5]([H:12])([H:13])[H:14])[c:6]([H:15])[n:7]1[H:16])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C-:3][C@@:4]([C:5]([H:12])([H:13])[H:14])([H:11])[C+:6]([H:15])[N:7]1[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-5-3-6(2)7-4-5/h3-4,7H,1-2H3","InChI=1S/C6H9N/c1-5-3-6(2)7-4-5/h4-5,7H,1-2H3/t5-/m0/s1",79.33951,81.37801,
11548,[C:1]([c:2]1[c:3]([H:11])[c:4]([C:5]([H:12])([H:13])[H:14])[c:6]([H:15])[n:7]1[H:16])([H:8])([H:9])[H:10],[C:1]([C:2][N:7]([C:6](=[C:4]=[C:3]([C:5]([H:12])([H:13])[H:14])[H:11])[H:15])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-5-3-6(2)7-4-5/h3-4,7H,1-2H3","InChI=1S/C6H9N/c1-3-5-6-7-4-2/h3,6-7H,1-2H3",148.00541,89.17565,
11549,[C:1]([c:2]1[c:3]([H:11])[c:4]([C:5]([H:12])([H:13])[H:14])[c:6]([H:15])[n:7]1[H:16])([H:8])([H:9])[H:10],[C:1](=[C:2]1[C:3]([H:11])=[C:4]([C:5]([H:12])([H:13])[H:14])[C:6]([H:15])=[N:7]1)([H:8])[H:9].[H:10][H:16],"InChI=1S/C6H9N/c1-5-3-6(2)7-4-5/h3-4,7H,1-2H3","InChI=1S/C6H7N.H2/c1-5-3-6(2)7-4-5;/h3-4H,2H2,1H3;1H",79.03945,38.53448,
11550,[C:1]([c:2]1[c:3]([H:11])[c:4]([C:5]([H:12])([H:13])[H:14])[c:6]([H:15])[n:7]1[H:16])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:3]([H:11])[C@@:4]([C:5]([H:12])([H:13])[H:14])([H:15])[C:6][N:7]1[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-5-3-6(2)7-4-5/h3-4,7H,1-2H3","InChI=1S/C6H9N/c1-5-3-6(2)7-4-5/h3,5,7H,1-2H3/t5-/m0/s1",60.819309999999994,57.14625,Singlet_Carbene_Intra_Disproportionation
11551,[C:1]([c:2]1[c:3]([H:11])[c:4]([C:5]([H:12])([H:13])[H:14])[c:6]([H:15])[n:7]1[H:16])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]=[C:4]([C:5]([H:12])([H:13])[H:14])/[C:6](=[N:7]/[H:16])[H:15])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-5-3-6(2)7-4-5/h3-4,7H,1-2H3","InChI=1S/C6H9N/c1-3-4-6(2)5-7/h3,5,7H,1-2H3/b7-5+",97.21826,40.67935,
11552,[C:1]([c:2]1[c:3]([H:11])[c:4]([C:5]([H:12])([H:13])[H:14])[c:6]([H:15])[n:7]1[H:16])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:3]([H:11])[C:4](=[C:5]([H:13])[H:14])[C:6]([H:12])([H:15])[N:7]1[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-5-3-6(2)7-4-5/h3-4,7H,1-2H3","InChI=1S/C6H9N/c1-5-3-6(2)7-4-5/h3,7H,1,4H2,2H3",84.44798,18.701079999999997,
11553,[C:1]([c:2]1[c:3]([H:11])[c:4]([C:5]([H:12])([H:13])[H:14])[c:6]([H:15])[n:7]1[H:16])([H:8])([H:9])[H:10],[C:1]([C+:2]1[C@@:3]([C:5]([H:12])([H:13])[H:14])([H:11])[C-:4]=[C:6]([H:15])[N:7]1[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-5-3-6(2)7-4-5/h3-4,7H,1-2H3","InChI=1S/C6H9N/c1-5-3-4-7-6(5)2/h4-5,7H,1-2H3/t5-/m1/s1",97.64622,79.04944,
11554,[C:1]([c:2]1[c:3]([H:11])[c:4]([C:5]([H:12])([H:13])[H:14])[c:6]([H:15])[n:7]1[H:16])([H:8])([H:9])[H:10],[C:1]([C:2]1=[N:7][C:6]([H:15])([H:16])[C:4]([C:5]([H:12])([H:13])[H:14])=[C:3]1[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-5-3-6(2)7-4-5/h3-4,7H,1-2H3","InChI=1S/C6H9N/c1-5-3-6(2)7-4-5/h3H,4H2,1-2H3",42.43226,10.36101,
11555,[C:1]([c:2]1[c:3]([H:11])[c:4]([C:5]([H:12])([H:13])[H:14])[c:6]([H:15])[n:7]1[H:16])([H:8])([H:9])[H:10],[C:1]([C+:2]1[C:3]([H:11])=[C-:4][C@:6]([C:5]([H:12])([H:13])[H:14])([H:15])[N:7]1[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-5-3-6(2)7-4-5/h3-4,7H,1-2H3","InChI=1S/C6H9N/c1-5-3-4-6(2)7-5/h3,6-7H,1-2H3/t6-/m1/s1",83.94783000000001,66.27606999999999,
11556,[C:1]([c:2]1[c:3]([H:11])[c:4]([C:5]([H:12])([H:13])[H:14])[c:6]([H:15])[n:7]1[H:16])([H:8])([H:9])[H:10],[C:1](/[C:2]([C:3](=[C:4]=[C:6]([C:5]([H:12])([H:13])[H:14])[H:15])[H:11])=[N:7]\[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-5-3-6(2)7-4-5/h3-4,7H,1-2H3","InChI=1S/C6H9N/c1-3-4-5-6(2)7/h3,5,7H,1-2H3/b7-6+",100.83345,38.01143,
11557,[C:1]([c:2]1[c:3]([H:11])[c:4]([C:5]([H:12])([H:13])[H:14])[c:6]([H:15])[n:7]1[H:16])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C-:3][C:4](=[C:5]([H:13])[H:14])[C+:6]([H:15])[N:7]1[H:16])([H:8])([H:9])[H:10].[H:11][H:12],"InChI=1S/C6H9N/c1-5-3-6(2)7-4-5/h3-4,7H,1-2H3","InChI=1S/C6H7N.H2/c1-5-3-6(2)7-4-5;/h4,7H,1H2,2H3;1H",105.51008999999999,104.56427,
11558,[C:1]([c:2]1[c:3]([H:11])[c:4]([C:5]([H:12])([H:13])[H:14])[c:6]([H:15])[n:7]1[H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C-:3]=[C:4]([C:5]([H:12])([H:13])[H:14])[C+:6]([H:15])[N:7]1[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-5-3-6(2)7-4-5/h3-4,7H,1-2H3","InChI=1S/C6H9N/c1-5-3-6(2)7-4-5/h4,6-7H,1-2H3/t6-/m0/s1",71.76814,69.62011,Singlet_Carbene_Intra_Disproportionation
11559,[C:1]([c:2]1[c:3]([H:11])[c:4]([C:5]([H:12])([H:13])[H:14])[c:6]([H:15])[n:7]1[H:16])([H:8])([H:9])[H:10],[C:1]([C@@:3]1([H:11])[C:2][N:7]([H:16])[C:6]([H:15])=[C:4]1[C:5]([H:12])([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-5-3-6(2)7-4-5/h3-4,7H,1-2H3","InChI=1S/C6H9N/c1-5-3-7-4-6(5)2/h3,6-7H,1-2H3/t6-/m0/s1",77.97924,58.24488,
11560,[C:1]([c:2]1[c:3]([H:11])[c:4]([C:5]([H:12])([H:13])[H:14])[c:6]([H:15])[n:7]1[H:16])([H:8])([H:9])[H:10],[C+:1]([c:2]1[c:3]([H:11])[c:4]([C:5]([H:12])([H:13])[H:14])[c-:6][n:7]1[H:16])([H:8])[H:9].[H:10][H:15],"InChI=1S/C6H9N/c1-5-3-6(2)7-4-5/h3-4,7H,1-2H3","InChI=1S/C6H7N.H2/c1-5-3-6(2)7-4-5;/h3,7H,2H2,1H3;1H",117.79468999999999,79.87541999999999,
11561,[C:1]([c:2]1[c:3]([H:11])[c:4]([C:5]([H:12])([H:13])[H:14])[c:6]([H:15])[n:7]1[H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]12[C@@:3]([H:11])([C:4]([H:12])=[C:6]([H:15])[N:7]1[H:16])[C:5]2([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-5-3-6(2)7-4-5/h3-4,7H,1-2H3","InChI=1S/C6H9N/c1-6-4-5(6)2-3-7-6/h2-3,5,7H,4H2,1H3/t5-,6+/m0/s1",99.35523,34.68973,
11562,[C:1]([c:2]1[c:3]([H:11])[c:4]([C:5]([H:12])([H:13])[H:14])[c:6]([H:15])[n:7]1[H:16])([H:8])([H:9])[H:10],[C:1]([C@:6]1([H:15])[C+:4]([C:5]([H:12])([H:13])[H:14])[C:3]([H:11])=[C-:2][N:7]1[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-5-3-6(2)7-4-5/h3-4,7H,1-2H3","InChI=1S/C6H9N/c1-5-3-4-7-6(5)2/h3,6-7H,1-2H3/t6-/m1/s1",141.12731000000002,55.30345,
11563,[C:1]([c:2]1[c:3]([H:11])[c:4]([C:5]([H:12])([H:13])[H:14])[c:6]([H:15])[n:7]1[H:16])([H:8])([H:9])[H:10],[C:1]([N+:7]1([H:16])[C-:2]=[C:3]([H:11])[C:4]([C:5]([H:12])([H:13])[H:14])=[C:6]1[H:15])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-5-3-6(2)7-4-5/h3-4,7H,1-2H3","InChI=1S/C6H9N/c1-6-3-4-7(2)5-6/h3,5,7H,1-2H3",102.22197,83.58434,
11564,[C:1]([c:2]1[c:3]([H:11])[c:4]([C:5]([H:12])([H:13])[H:14])[c:6]([H:15])[n:7]1[H:16])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:3]([H:11])[C:4]([C:5]([H:12])([H:13])[H:14])=[C-:6][N+:7]1([H:15])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-5-3-6(2)7-4-5/h3-4,7H,1-2H3","InChI=1S/C6H9N/c1-5-3-6(2)7-4-5/h3H,7H2,1-2H3",84.65899,77.21395,
11565,[C:1]([c:2]1[c:3]([H:11])[c:4]([C:5]([H:12])([H:13])[H:14])[c:6]([H:15])[n:7]1[H:16])([H:8])([H:9])[H:10],[C:1](=[C:2]=[C:3](/[C:4]([C:5]([H:12])([H:13])[H:14])=[C:6](\[N:7]([H:10])[H:16])[H:15])[H:11])([H:8])[H:9],"InChI=1S/C6H9N/c1-5-3-6(2)7-4-5/h3-4,7H,1-2H3","InChI=1S/C6H9N/c1-3-4-6(2)5-7/h4-5H,1,7H2,2H3/b6-5-",88.21829,38.212740000000004,
11566,[C:1]([c:2]1[c:3]([H:11])[c:4]([C:5]([H:12])([H:13])[H:14])[c:6]([H:15])[n:7]1[H:16])([H:8])([H:9])[H:10],[C:1]([C:2][N:7]([C@@:6]1([H:15])[C:3]([H:11])=[C:4]1[C:5]([H:12])([H:13])[H:14])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-5-3-6(2)7-4-5/h3-4,7H,1-2H3","InChI=1S/C6H9N/c1-3-7-6-4-5(6)2/h4,6-7H,1-2H3/t6-/m0/s1",135.89056000000002,102.21089,
11567,[C:1]([c:2]1[c:3]([H:11])[c:4]([C:5]([H:12])([H:13])[H:14])[c:6]([H:15])[n:7]1[H:16])([H:8])([H:9])[H:10],[C:1]([C:2]1([C:5]([H:12])([H:13])[H:14])[C:3]([H:11])=[C:4]=[C:6]([H:15])[N:7]1[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-5-3-6(2)7-4-5/h3-4,7H,1-2H3","InChI=1S/C6H9N/c1-6(2)4-3-5-7-6/h4-5,7H,1-2H3",103.1964,70.59555999999999,
11568,[C:1]([c:2]1[c:3]([H:11])[c:4]([C:5]([H:12])([H:13])[H:14])[c:6]([H:15])[n:7]1[H:16])([H:8])([H:9])[H:10],[C:1](/[C:3](=[C:2]1/[C:4]([C:5]([H:12])([H:13])[H:14])=[C:6]([H:15])[N:7]1[H:16])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-5-3-6(2)7-4-5/h3-4,7H,1-2H3","InChI=1S/C6H9N/c1-3-6-5(2)4-7-6/h3-4,7H,1-2H3/b6-3-",166.31896,48.06282,
11569,[C:1]([c:2]1[c:3]([H:11])[c:4]([C:5]([H:12])([H:13])[H:14])[c:6]([H:15])[n:7]1[H:16])([H:8])([H:9])[H:10],[C:1]([C@:2]12[C:3]([H:11])=[C:4]([C:5]([H:12])([H:13])[H:14])[C@@:6]1([H:15])[N:7]2[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-5-3-6(2)7-4-5/h3-4,7H,1-2H3","InChI=1S/C6H9N/c1-4-3-6(2)5(4)7-6/h3,5,7H,1-2H3/t5-,6+/m1/s1",97.98174,68.74388,Intra_2+2_cycloaddition_Cd
11570,[C:1]([c:2]1[c:3]([H:11])[c:4]([C:5]([H:12])([H:13])[H:14])[c:6]([H:15])[n:7]1[H:16])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]([C:4]([C:5]([H:12])([H:13])[H:14])=[C:6]=[N:7][H:16])[H:11])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-5-3-6(2)7-4-5/h3-4,7H,1-2H3","InChI=1S/C6H9N/c1-3-4-6(2)5-7/h3-4,7H,1-2H3",120.88441999999999,32.706070000000004,
11571,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C@@:3]3([H:11])[C:4]([H:12])([H:13])[C@:5]([H:14])([C:6]3([H:15])[H:16])[N:7]12,[C-:1]1([H:9])[C@@:2]2([H:10])[C@@:3]3([H:11])[C:4]([H:12])([H:13])[C@:5]([H:14])([C:6]3([H:15])[H:16])[N+:7]12[H:8],"InChI=1S/C6H9N/c1-4-2-5(1)7-3-6(4)7/h4-6H,1-3H2/t4-,5+,6-,7?/m0/s1","InChI=1S/C6H9N/c1-4-2-5(1)7-3-6(4)7/h3-7H,1-2H2/t4-,5+,6-/m0/s1",61.62218000000001,47.13033,
11572,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C@@:3]3([H:11])[C:4]([H:12])([H:13])[C@:5]([H:14])([C:6]3([H:15])[H:16])[N:7]12,[C:1]([C@@:2]1([H:10])[C@@:3]2([H:11])[C:4]([H:12])([H:13])[C@:5]([H:14])([C:6]2([H:15])[H:16])[N:7]1[H:9])[H:8],"InChI=1S/C6H9N/c1-4-2-5(1)7-3-6(4)7/h4-6H,1-3H2/t4-,5+,6-,7?/m0/s1","InChI=1S/C6H9N/c1-4-5-2-6(3-5)7-4/h1,4-7H,2-3H2/t4-,5-,6+/m0/s1",62.1663,62.03228000000001,
11573,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C@@:3]3([H:11])[C:4]([H:12])([H:13])[C@:5]([H:14])([C:6]3([H:15])[H:16])[N:7]12,[C:1](=[C:2](/[N:7]=[C:5](\[C:6]([C:3](=[C:4]([H:12])[H:13])[H:11])([H:15])[H:16])[H:14])[H:10])([H:8])[H:9],"InChI=1S/C6H9N/c1-4-2-5(1)7-3-6(4)7/h4-6H,1-3H2/t4-,5+,6-,7?/m0/s1","InChI=1S/C6H9N/c1-3-5-6-7-4-2/h3-4,6H,1-2,5H2/b7-6-",46.99565,-25.85371,
11574,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C@@:3]3([H:11])[C:4]([H:12])([H:13])[C@:5]([H:14])([C:6]3([H:15])[H:16])[N:7]12,[C:1](=[C:2]([C:3]1([H:11])[C:4]([H:12])([H:13])/[C:5](=[N:7]/[H:14])[C:6]1([H:15])[H:16])[H:10])([H:8])[H:9],"InChI=1S/C6H9N/c1-4-2-5(1)7-3-6(4)7/h4-6H,1-3H2/t4-,5+,6-,7?/m0/s1","InChI=1S/C6H9N/c1-2-5-3-6(7)4-5/h2,5,7H,1,3-4H2/b7-6-",58.887080000000005,-30.4722,
11575,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C@@:3]3([H:11])[C:4]([H:12])([H:13])[C@:5]([H:14])([C:6]3([H:15])[H:16])[N:7]12,[C:1]1([H:8])([H:9])[C:2][C@@:3]2([H:11])[C:4]([H:12])([H:13])[C@:5]([H:14])([C:6]2([H:15])[H:16])[N:7]1[H:10],"InChI=1S/C6H9N/c1-4-2-5(1)7-3-6(4)7/h4-6H,1-3H2/t4-,5+,6-,7?/m0/s1","InChI=1S/C6H9N/c1-2-7-6-3-5(1)4-6/h5-7H,2-4H2/t5-,6+",57.21056,43.81582,
11576,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C@@:3]3([H:11])[C:4]([H:12])([H:13])[C@:5]([H:14])([C:6]3([H:15])[H:16])[N:7]12,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C@:3]([C:6][H:15])([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:16])[N:7]12,"InChI=1S/C6H9N/c1-4-2-5(1)7-3-6(4)7/h4-6H,1-3H2/t4-,5+,6-,7?/m0/s1","InChI=1S/C6H9N/c1-5-2-3-7-4-6(5)7/h1,5-6H,2-4H2/t5-,6-,7?/m0/s1",65.49676,57.46145,
11577,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C@@:3]3([H:11])[C:4]([H:12])([H:13])[C@:5]([H:14])([C:6]3([H:15])[H:16])[N:7]12,[C:1](=[N:7][C:5]1([H:14])[C:4]([H:12])([H:13])[C:2]([H:10])=[C:3]([H:11])[C:6]1([H:15])[H:16])([H:8])[H:9],"InChI=1S/C6H9N/c1-4-2-5(1)7-3-6(4)7/h4-6H,1-3H2/t4-,5+,6-,7?/m0/s1","InChI=1S/C6H9N/c1-7-6-4-2-3-5-6/h2-3,6H,1,4-5H2",86.65677,-37.216429999999995,
11578,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C@@:3]3([H:11])[C:4]([H:12])([H:13])[C@:5]([H:14])([C:6]3([H:15])[H:16])[N:7]12,[C-:1]([N+:7]1=[C:2]([H:10])[C@@:3]2([H:11])[C:4]([H:12])([H:13])[C@:5]1([H:14])[C:6]2([H:15])[H:16])([H:8])[H:9],"InChI=1S/C6H9N/c1-4-2-5(1)7-3-6(4)7/h4-6H,1-3H2/t4-,5+,6-,7?/m0/s1","InChI=1S/C6H9N/c1-7-4-5-2-6(7)3-5/h4-6H,1-3H2/t5-,6+",41.177659999999996,15.845410000000001,
11579,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C@@:3]3([H:11])[C:4]([H:12])([H:13])[C@:5]([H:14])([C:6]3([H:15])[H:16])[N:7]12,[C:1]([C@@:2]1([H:10])[C@:3]2([H:11])[C:4]([H:12])([H:13])[C@:6]2([H:16])[C:5]([H:14])=[N:7]1)([H:8])([H:9])[H:15],"InChI=1S/C6H9N/c1-4-2-5(1)7-3-6(4)7/h4-6H,1-3H2/t4-,5+,6-,7?/m0/s1","InChI=1S/C6H9N/c1-4-6-2-5(6)3-7-4/h3-6H,2H2,1H3/t4-,5+,6-/m0/s1",65.62017,-39.768029999999996,
11580,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C@@:3]3([H:11])[C:4]([H:12])([H:13])[C@:5]([H:14])([C:6]3([H:15])[H:16])[N:7]12,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C:3][C:6]([H:15])([H:16])[C@@:5]([C:4]([H:11])([H:12])[H:13])([H:14])[N:7]12,"InChI=1S/C6H9N/c1-4-2-5(1)7-3-6(4)7/h4-6H,1-3H2/t4-,5+,6-,7?/m0/s1","InChI=1S/C6H9N/c1-5-2-3-6-4-7(5)6/h5-6H,2,4H2,1H3/t5-,6+,7?/m0/s1",63.09163,38.23453,
11581,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C@@:3]3([H:11])[C:4]([H:12])([H:13])[C@:5]([H:14])([C:6]3([H:15])[H:16])[N:7]12,[C:1]([N:7]1[C@:2]2([H:10])[C@:3]3([H:11])[C:4]([H:12])([H:13])[C@@:5]1([H:14])[C@:6]23[H:16])([H:8])([H:9])[H:15],"InChI=1S/C6H9N/c1-4-2-5(1)7-3-6(4)7/h4-6H,1-3H2/t4-,5+,6-,7?/m0/s1","InChI=1S/C6H9N/c1-7-4-2-3-5(4)6(3)7/h3-6H,2H2,1H3/t3-,4+,5-,6-/m1/s1",84.35883000000001,15.79734,
11582,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C@@:3]3([H:11])[C:4]([H:12])([H:13])[C@:5]([H:14])([C:6]3([H:15])[H:16])[N:7]12,[C:1]([C:2][H:10])([N:7]1[C@@:3]2([H:11])[C:4]([H:12])([H:13])[C@:5]1([H:14])[C:6]2([H:15])[H:16])([H:8])[H:9],"InChI=1S/C6H9N/c1-4-2-5(1)7-3-6(4)7/h4-6H,1-3H2/t4-,5+,6-,7?/m0/s1","InChI=1S/C6H9N/c1-2-7-5-3-6(7)4-5/h1,5-6H,2-4H2/t5-,6+",104.27585,107.61163,
11583,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@@:4]2([O:5][H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@@:4]([O:5][H:14])([C:6]([H:15])([H:16])[H:17])[C:7]1)([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-2-6(7)3-5(4)6/h4-5,7H,2-3H2,1H3/t4-,5-,6+/m0/s1","InChI=1S/C6H10O/c1-5-3-6(2,7)4-5/h5,7H,3H2,1-2H3/t5-,6-/m0/s1",63.08495,67.7086,
11584,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@@:4]2([O:5][H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C@@:4]2([C:3]([O:5][H:14])([H:12])[H:13])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-2-6(7)3-5(4)6/h4-5,7H,2-3H2,1H3/t4-,5-,6+/m0/s1","InChI=1S/C6H10O/c1-4-5-2-6(4,5)3-7/h4-5,7H,2-3H2,1H3/t4-,5+,6+/m1/s1",86.05086999999999,11.54893,
11585,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@@:4]2([O:5][H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4](=[O:5])[C@:7]1([C:6]([H:14])([H:15])[H:16])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-2-6(7)3-5(4)6/h4-5,7H,2-3H2,1H3/t4-,5-,6+/m0/s1","InChI=1S/C6H10O/c1-4-3-6(7)5(4)2/h4-5H,3H2,1-2H3/t4-,5-/m0/s1",56.4009,-26.51036,
11586,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@@:4]2([O:5][H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@@:4]([O:5][H:14])([H:16])[C:6]([H:15])=[C:7]1[H:17])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-2-6(7)3-5(4)6/h4-5,7H,2-3H2,1H3/t4-,5-,6+/m0/s1","InChI=1S/C6H10O/c1-5-2-3-6(7)4-5/h2-3,5-7H,4H2,1H3/t5-,6-/m1/s1",66.49733,-25.41572,
11587,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@@:4]2([O:5][H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]([H:12])[H:13])[H:11])([H:8])([H:9])[H:10].[C:4]1([O:5][H:14])=[C:7]([H:17])[C:6]1([H:15])[H:16],"InChI=1S/C6H10O/c1-4-2-6(7)3-5(4)6/h4-5,7H,2-3H2,1H3/t4-,5-,6+/m0/s1","InChI=1S/C3H4O.C3H6/c4-3-1-2-3;1-3-2/h1,4H,2H2;3H,1H2,2H3",83.17725,35.66513,
11588,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@@:4]2([O:5][H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C-:2]1=[C:7]([H:17])[C:6]([H:15])([H:16])[C+:4]([O:5][H:14])[C:3]1([H:12])[H:13].[C:1]([H:8])([H:9])([H:10])[H:11],"InChI=1S/C6H10O/c1-4-2-6(7)3-5(4)6/h4-5,7H,2-3H2,1H3/t4-,5-,6+/m0/s1","InChI=1S/C5H6O.CH4/c6-5-3-1-2-4-5;/h1,6H,3-4H2;1H4",78.85186999999999,58.19307,
11589,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@@:4]2([O:5][H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C@@:7]1([H:17])[C:4](=[O:5])[C:6]1([H:15])[H:16])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-2-6(7)3-5(4)6/h4-5,7H,2-3H2,1H3/t4-,5-,6+/m0/s1","InChI=1S/C6H10O/c1-4(2)5-3-6(5)7/h4-5H,3H2,1-2H3/t5-/m0/s1",68.78572,-7.177560000000001,
11590,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@@:4]2([O:5][H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]([C:3][H:13])([C@@:7]1([H:17])[C@@:4]([O:5][H:14])([H:12])[C:6]1([H:15])[H:16])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-2-6(7)3-5(4)6/h4-5,7H,2-3H2,1H3/t4-,5-,6+/m0/s1","InChI=1S/C6H10O/c1-4(2)5-3-6(5)7/h1,4-7H,3H2,2H3/t4-,5+,6-/m1/s1",77.69233,79.31926,
11591,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@@:4]2([O:5][H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([O:5][H:14])=[C:6]([H:16])[C:7]1([H:15])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-2-6(7)3-5(4)6/h4-5,7H,2-3H2,1H3/t4-,5-,6+/m0/s1","InChI=1S/C6H10O/c1-5-2-3-6(7)4-5/h3,5,7H,2,4H2,1H3/t5-/m1/s1",59.80903000000001,-33.32399,
11592,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@@:4]2([O:5][H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:12])([H:13])[H:17])([C:7]1=[C:4]([O:5][H:14])[C:6]1([H:15])[H:16])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-2-6(7)3-5(4)6/h4-5,7H,2-3H2,1H3/t4-,5-,6+/m0/s1","InChI=1S/C6H10O/c1-4(2)5-3-6(5)7/h4,7H,3H2,1-2H3",109.93965,10.26126,
11593,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@@:4]2([O:5][H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]([C:3]([C:4][O:5][H:14])([H:12])[H:13])([C:7](=[C:6]([H:15])[H:16])[H:17])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-2-6(7)3-5(4)6/h4-5,7H,2-3H2,1H3/t4-,5-,6+/m0/s1","InChI=1S/C6H10O/c1-3-6(2)4-5-7/h3,6-7H,1,4H2,2H3/t6-/m1/s1",38.99885,35.766690000000004,
11594,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@@:4]2([O:5][H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]1([H:8])([H:9])[C@@:2]2([H:11])[C:3]([H:12])([H:13])[C@@:4]3([O:5][H:14])[C@:6]1([H:16])[C@@:7]23[H:17].[H:10][H:15],"InChI=1S/C6H10O/c1-4-2-6(7)3-5(4)6/h4-5,7H,2-3H2,1H3/t4-,5-,6+/m0/s1","InChI=1S/C6H8O.H2/c7-6-2-3-1-4(6)5(3)6;/h3-5,7H,1-2H2;1H/t3-,4-,5+,6+;/m0./s1",133.14783,40.85846,
11595,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@@:4]2([O:5][H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]1([H:8])([H:9])[C@@:2]2([H:11])[C:3]([H:12])([H:13])[C@@:4]([O:5][H:14])([C:6]([H:10])([H:15])[H:16])[C@@:7]12[H:17],"InChI=1S/C6H10O/c1-4-2-6(7)3-5(4)6/h4-5,7H,2-3H2,1H3/t4-,5-,6+/m0/s1","InChI=1S/C6H10O/c1-6(7)3-4-2-5(4)6/h4-5,7H,2-3H2,1H3/t4-,5-,6-/m0/s1",76.38656999999999,-0.86439,
11596,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@@:4]2([O:5][H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C:2][C:3]([C:4]1([O:5][H:14])[C:6]([H:15])([H:16])[C:7]1([H:11])[H:17])([H:12])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-2-6(7)3-5(4)6/h4-5,7H,2-3H2,1H3/t4-,5-,6+/m0/s1","InChI=1S/C6H10O/c1-2-3-6(7)4-5-6/h7H,3-5H2,1H3",74.18842,66.06254,
11597,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@@:4]2([O:5][H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])=[C:4]2[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10].[O:5]([H:13])[H:14],"InChI=1S/C6H10O/c1-4-2-6(7)3-5(4)6/h4-5,7H,2-3H2,1H3/t4-,5-,6+/m0/s1","InChI=1S/C6H8.H2O/c1-4-2-5-3-6(4)5;/h2,4,6H,3H2,1H3;1H2/t4-,6-;/m0./s1",85.91405,59.02117,"1,3_Insertion_ROR"
11598,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@@:4]2([O:5][H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C:2][C@@:7]1([H:17])[C@:4]([C:3]([H:11])([H:12])[H:13])([O:5][H:14])[C:6]1([H:15])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-2-6(7)3-5(4)6/h4-5,7H,2-3H2,1H3/t4-,5-,6+/m0/s1","InChI=1S/C6H10O/c1-3-5-4-6(5,2)7/h5,7H,4H2,1-2H3/t5-,6-/m1/s1",70.71414,57.965030000000006,
11599,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@@:4]2([O:5][H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@@:7]1([C:4]([O:5][H:14])=[C:6]([H:15])[H:16])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-2-6(7)3-5(4)6/h4-5,7H,2-3H2,1H3/t4-,5-,6+/m0/s1","InChI=1S/C6H10O/c1-4-3-6(4)5(2)7/h4,6-7H,2-3H2,1H3/t4-,6-/m0/s1",53.49802,-14.061620000000001,
11600,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@@:4]2([O:5][H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:7]1([C:6]([C:4][O:5][H:14])([H:15])[H:16])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-2-6(7)3-5(4)6/h4-5,7H,2-3H2,1H3/t4-,5-,6+/m0/s1","InChI=1S/C6H10O/c1-5-4-6(5)2-3-7/h5-7H,2,4H2,1H3/t5-,6+/m0/s1",57.02816,41.84539,
11601,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@@:4]2([O:5][H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4](=[O:5])[C:6]([H:15])([H:16])[C:7]1([H:14])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-2-6(7)3-5(4)6/h4-5,7H,2-3H2,1H3/t4-,5-,6+/m0/s1","InChI=1S/C6H10O/c1-5-2-3-6(7)4-5/h5H,2-4H2,1H3/t5-/m1/s1",52.95482,-42.52476,
11602,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@@:4]2([O:5][H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:4]([O:5][H:14])([H:17])[C:6]([H:15])([H:16])[C:7]1)([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-2-6(7)3-5(4)6/h4-5,7H,2-3H2,1H3/t4-,5-,6+/m0/s1","InChI=1S/C6H10O/c1-5-2-3-6(7)4-5/h5-7H,3-4H2,1H3/t5-,6+/m1/s1",61.08772,45.535540000000005,
11603,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@@:4]2([O:5][H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([C:4]([O:5][H:14])=[C:6]([H:15])[H:16])([H:12])[H:13])=[C:7]([H:11])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-2-6(7)3-5(4)6/h4-5,7H,2-3H2,1H3/t4-,5-,6+/m0/s1","InChI=1S/C6H10O/c1-5(2)4-6(3)7/h7H,1,3-4H2,2H3",79.18267,-20.732129999999998,
11604,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@@:4]2([O:5][H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4][C:6]([H:15])([H:16])[C@@:7]1([O:5][H:14])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-2-6(7)3-5(4)6/h4-5,7H,2-3H2,1H3/t4-,5-,6+/m0/s1","InChI=1S/C6H10O/c1-5-3-2-4-6(5)7/h5-7H,3-4H2,1H3/t5-,6-/m0/s1",70.02018000000001,45.10843,
11605,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@@:4]2([O:5][H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]([C:3]([C:4](=[O:5])[H:14])([H:12])[H:13])([C:7](=[C:6]([H:15])[H:16])[H:17])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-2-6(7)3-5(4)6/h4-5,7H,2-3H2,1H3/t4-,5-,6+/m0/s1","InChI=1S/C6H10O/c1-3-6(2)4-5-7/h3,5-6H,1,4H2,2H3/t6-/m1/s1",64.52835999999999,-19.10666,
11606,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@@:4]2([O:5][H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@@:4]1([O:5][H:14])[C:6]([C:7][H:17])([H:15])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-2-6(7)3-5(4)6/h4-5,7H,2-3H2,1H3/t4-,5-,6+/m0/s1","InChI=1S/C6H10O/c1-3-6(7)4-5(6)2/h1,5,7H,3-4H2,2H3/t5-,6-/m0/s1",74.38235,78.12698,
11607,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@@:4]2([O:5][H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([C@@:4]1([O:5][H:14])[C:6]([H:15])([H:16])[C:7]1)([H:12])[H:13])([H:11])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-2-6(7)3-5(4)6/h4-5,7H,2-3H2,1H3/t4-,5-,6+/m0/s1","InChI=1S/C6H10O/c1-2-3-6(7)4-5-6/h7H,2-4H2,1H3/t6-/m1/s1",68.58549000000001,73.52489,
11608,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@@:4]2([O:5][H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1](=[C:2]([C:3]([C:4]1([O:5][H:14])[C:6]([H:15])=[C:7]1[H:17])([H:12])[H:13])[H:11])([H:8])[H:9].[H:10][H:16],"InChI=1S/C6H10O/c1-4-2-6(7)3-5(4)6/h4-5,7H,2-3H2,1H3/t4-,5-,6+/m0/s1","InChI=1S/C6H8O.H2/c1-2-3-6(7)4-5-6;/h2,4-5,7H,1,3H2;1H",75.77128,44.36442,
11609,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@@:4]2([O:5][H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:7](\[C:6]([C:4](=[C:3]([H:12])[H:13])[O:5][H:14])([H:15])[H:16])[H:17])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-2-6(7)3-5(4)6/h4-5,7H,2-3H2,1H3/t4-,5-,6+/m0/s1","InChI=1S/C6H10O/c1-3-4-5-6(2)7/h3-4,7H,2,5H2,1H3/b4-3-",54.02482,-19.41689,
11610,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@@:4]2([O:5][H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:6]([H:15])([H:16])[C@@:7]1([C:4][O:5][H:14])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-2-6(7)3-5(4)6/h4-5,7H,2-3H2,1H3/t4-,5-,6+/m0/s1","InChI=1S/C6H10O/c1-5-2-3-6(5)4-7/h5-7H,2-3H2,1H3/t5-,6+/m0/s1",91.73657,37.6336,
11611,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@@:4]2([O:5][H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1](=[C:2]1[C:3]([H:12])([H:13])[C@@:4]2([O:5][H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])[H:9].[H:10][H:11],"InChI=1S/C6H10O/c1-4-2-6(7)3-5(4)6/h4-5,7H,2-3H2,1H3/t4-,5-,6+/m0/s1","InChI=1S/C6H8O.H2/c1-4-2-6(7)3-5(4)6;/h5,7H,1-3H2;1H/t5-,6+;/m0./s1",107.86908999999999,29.20252,
11612,[C:1]([C:2]([C:3]([O:4][C:5](=[O:6])[N:7]([H:15])[H:16])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]1([H:8])([H:9])[C:2]([H:11])([H:12])[C:3]([H:13])([H:14])[O:4][C:5]1=[O:6].[N:7]([H:10])([H:15])[H:16],"InChI=1S/C4H9NO2/c1-2-3-7-4(5)6/h2-3H2,1H3,(H2,5,6)",InChI=1S/C4H6O2.H3N/c5-4-2-1-3-6-4;/h1-3H2;1H3,79.48042,13.71052,
11613,[C:1]([C:2]([C:3]([O:4][C:5](=[O:6])[N:7]([H:15])[H:16])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]1([H:8])([H:9])[C:2]([H:11])([H:12])[C:3]([H:13])([H:14])[O:4][C@:5]1([O:6][H:10])[N:7]([H:15])[H:16],"InChI=1S/C4H9NO2/c1-2-3-7-4(5)6/h2-3H2,1H3,(H2,5,6)","InChI=1S/C4H9NO2/c5-4(6)2-1-3-7-4/h6H,1-3,5H2/t4-/m0/s1",77.79606,23.34895,
11614,[C:1]([C:2]([C:3]([O:4][C:5](=[O:6])[N:7]([H:15])[H:16])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]([H:13])[H:14])[H:12])([H:8])([H:9])[H:10].[O:4]=[C:5]([O:6][H:11])[N:7]([H:15])[H:16],"InChI=1S/C4H9NO2/c1-2-3-7-4(5)6/h2-3H2,1H3,(H2,5,6)","InChI=1S/C3H6.CH3NO2/c1-3-2;2-1(3)4/h3H,1H2,2H3;2H2,(H,3,4)",37.588159999999995,9.669130000000001,Retroene
11615,[C:1]([C:2]([C:3]([O:4][C:5](=[O:6])[N:7]([H:15])[H:16])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C-:3](=[O+:4][C:5](=[O:6])[N:7]([H:15])[H:16])[H:14].[C:1]([C:2]([H:11])([H:12])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H9NO2/c1-2-3-7-4(5)6/h2-3H2,1H3,(H2,5,6)","InChI=1S/C2H3NO2.C2H6/c1-5-2(3)4;1-2/h1H,(H2,3,4);1-2H3",78.24854,79.95239000000001,
11616,[C:1]([C:2]([C:3]([O:4][C:5](=[O:6])[N:7]([H:15])[H:16])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([O:4][N:7]=[C:5]=[O:6])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10].[H:15][H:16],"InChI=1S/C4H9NO2/c1-2-3-7-4(5)6/h2-3H2,1H3,(H2,5,6)","InChI=1S/C4H7NO2.H2/c1-2-3-7-5-4-6;/h2-3H2,1H3;1H",101.8683,81.3687,
11617,[C:1]([C:2]([C:3]([O:4][C:5](=[O:6])[N:7]([H:15])[H:16])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([O:4]/[C:5]([O:6][H:16])=[N:7]\[H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H9NO2/c1-2-3-7-4(5)6/h2-3H2,1H3,(H2,5,6)","InChI=1S/C4H9NO2/c1-2-3-7-4(5)6/h2-3H2,1H3,(H2,5,6)",44.99228,16.18298,ketoenol
11618,[C:1]([C:2]([C:3]([O:4][C:5](=[O:6])[N:7]([H:15])[H:16])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:5](=[O:6])[N:7]([H:15])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10].[C:3](=[O:4])([H:13])[H:14],"InChI=1S/C4H9NO2/c1-2-3-7-4(5)6/h2-3H2,1H3,(H2,5,6)","InChI=1S/C3H7NO.CH2O/c1-2-3(4)5;1-2/h2H2,1H3,(H2,4,5);1H2",93.70233,23.04484,
11619,[C:1]([C:2]([C:3]([O:4][C:5](=[O:6])[N:7]([H:15])[H:16])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:12])[C:3]([H:13])([H:14])[O:4][C@:5]([N:7]([H:15])[H:16])([H:11])[O:6]1)([H:8])([H:9])[H:10],"InChI=1S/C4H9NO2/c1-2-3-7-4(5)6/h2-3H2,1H3,(H2,5,6)","InChI=1S/C4H9NO2/c1-3-2-6-4(5)7-3/h3-4H,2,5H2,1H3/t3-,4+/m0/s1",103.92614,28.683159999999997,
11620,[C:1]([C:2]([C:3]([O:4][C:5](=[O:6])[N:7]([H:15])[H:16])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:3]1([H:14])[O:4][C@:5]1([O:6][H:13])[N:7]([H:15])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H9NO2/c1-2-3-7-4(5)6/h2-3H2,1H3,(H2,5,6)","InChI=1S/C4H9NO2/c1-2-3-4(5,6)7-3/h3,6H,2,5H2,1H3/t3-,4+/m1/s1",81.49759,36.07027,
11621,[C:1]([C:2]([C:3]([O:4][C:5](=[O:6])[N:7]([H:15])[H:16])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([O:4][H:16])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10].[C:5](=[O:6])=[N:7][H:15],"InChI=1S/C4H9NO2/c1-2-3-7-4(5)6/h2-3H2,1H3,(H2,5,6)","InChI=1S/C3H8O.CHNO/c1-2-3-4;2-1-3/h4H,2-3H2,1H3;2H",43.84987,17.8795,"1,3_Insertion_ROR"
11622,[C:1]([C:2]([C:3]([O:4][C:5](=[O:6])[N:7]([H:15])[H:16])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([O:6][C:5](=[O+:4][C-:3]([H:13])[H:14])[N:7]([H:15])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H9NO2/c1-2-3-7-4(5)6/h2-3H2,1H3,(H2,5,6)","InChI=1S/C4H9NO2/c1-3-7-4(5)6-2/h2-3,5H2,1H3",97.83474,90.94963,
11623,[C:1]([C:2]([C:3]([O:4][C:5](=[O:6])[N:7]([H:15])[H:16])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3](=[O:4])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10].[C:5](=[O:6])=[N:7][H:15].[H:13][H:16],"InChI=1S/C4H9NO2/c1-2-3-7-4(5)6/h2-3H2,1H3,(H2,5,6)","InChI=1S/C3H6O.CHNO.H2/c1-2-3-4;2-1-3;/h3H,2H2,1H3;2H;1H",60.82586,35.81626,
11624,[C:1]([C:2]([C:3]([O:4][C:5](=[O:6])[N:7]([H:15])[H:16])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](=[C:2]([H:11])[H:12])([H:8])[H:9].[C:3](=[O:4])([H:13])[H:14].[C:5](=[O:6])([N:7]([H:15])[H:16])[H:10],"InChI=1S/C4H9NO2/c1-2-3-7-4(5)6/h2-3H2,1H3,(H2,5,6)","InChI=1S/C2H4.CH3NO.CH2O/c1-2;2-1-3;1-2/h1-2H2;1H,(H2,2,3);1H2",76.79115,51.50993,
11625,[C:1]([C:2]([C:3]([O:4][C:5](=[O:6])[N:7]([H:15])[H:16])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([N:7]([H:15])[H:16])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10].[O:4]=[C:5]=[O:6],"InChI=1S/C4H9NO2/c1-2-3-7-4(5)6/h2-3H2,1H3,(H2,5,6)","InChI=1S/C3H9N.CO2/c1-2-3-4;2-1-3/h2-4H2,1H3;",62.020230000000005,-0.8293,
11626,[C:1]([C:2]([C:3]([O:4][C:5](=[O:6])[N:7]([H:15])[H:16])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]1([H:8])([H:9])[C:2]([H:11])([H:12])[C:3]1([H:10])[H:13].[O:4]=[C:5]([O:6][H:14])[N:7]([H:15])[H:16],"InChI=1S/C4H9NO2/c1-2-3-7-4(5)6/h2-3H2,1H3,(H2,5,6)","InChI=1S/C3H6.CH3NO2/c1-2-3-1;2-1(3)4/h1-3H2;2H2,(H,3,4)",76.78933,17.955470000000002,
11627,[C:1]([C:2]([C:3]([O:4][C:5](=[O:6])[N:7]([H:15])[H:16])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([O:4][C:3]([O+:6]=[C-:5][N:7]([H:15])[H:16])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H9NO2/c1-2-3-7-4(5)6/h2-3H2,1H3,(H2,5,6)","InChI=1S/C4H9NO2/c1-2-6-4-7-3-5/h2,4-5H2,1H3",124.47776999999999,64.43603,
11628,[C:1]([C:2]([C:3]([O:4][C:5](=[O:6])[N:7]([H:15])[H:16])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:12])[C:3]([H:13])([H:14])[O:4][C@:5]1([O:6][H:11])[N:7]([H:15])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C4H9NO2/c1-2-3-7-4(5)6/h2-3H2,1H3,(H2,5,6)","InChI=1S/C4H9NO2/c1-3-2-7-4(3,5)6/h3,6H,2,5H2,1H3/t3-,4-/m0/s1",81.59514,32.176970000000004,
11629,[C:1]([C:2]([C:3]([O:4][C:5](=[O:6])[N:7]([H:15])[H:16])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([O:4][C:5]=[O:6])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10].[N:7]([H:15])[H:16],"InChI=1S/C4H9NO2/c1-2-3-7-4(5)6/h2-3H2,1H3,(H2,5,6)","InChI=1S/C4H7O2.H2N/c1-2-3-6-4-5;/h2-3H2,1H3;1H2",107.4189,102.19291,
11630,[N:1](=[C:2]1/[C:3]([H:9])=[C:4]([H:10])[C:5](=[O:6])[O:7]1)\[H:8],[N:1](=[C:2]1/[C:3]([H:9])=[C:4]=[C:5]([O:6][H:10])[O:7]1)\[H:8],"InChI=1S/C4H3NO2/c5-3-1-2-4(6)7-3/h1-2,5H/b5-3-","InChI=1S/C4H3NO2/c5-3-1-2-4(6)7-3/h1,5-6H/b5-3-",77.70861,60.81118000000001,ketoenol
11631,[N:1](=[C:2]1/[C:3]([H:9])=[C:4]([H:10])[C:5](=[O:6])[O:7]1)\[H:8],[N:1](=[C:2]=[C:3]([C@@:4]1([H:10])[C:5](=[O:7])[O:6]1)[H:9])[H:8],"InChI=1S/C4H3NO2/c5-3-1-2-4(6)7-3/h1-2,5H/b5-3-","InChI=1S/C4H3NO2/c5-2-1-3-4(6)7-3/h1,3,5H/t3-/m0/s1",47.10107,45.964079999999996,
11632,[N:1](=[C:2]1/[C:3]([H:9])=[C:4]([H:10])[C:5](=[O:6])[O:7]1)\[H:8],[N:1](=[C:2](\[O:7][C:5]([C:4](=[C:3])[H:10])=[O:6])[H:9])\[H:8],"InChI=1S/C4H3NO2/c5-3-1-2-4(6)7-3/h1-2,5H/b5-3-","InChI=1S/C4H3NO2/c1-2-4(6)7-3-5/h2-3,5H/b5-3-",86.38889,93.41372,
11633,[N:1](=[C:2]1/[C:3]([H:9])=[C:4]([H:10])[C:5](=[O:6])[O:7]1)\[H:8],[N:1](=[C:2]1/[C:3][C:4]([H:9])([H:10])[C:5](=[O:6])[O:7]1)\[H:8],"InChI=1S/C4H3NO2/c5-3-1-2-4(6)7-3/h1-2,5H/b5-3-","InChI=1S/C4H3NO2/c5-3-1-2-4(6)7-3/h5H,2H2/b5-3-",80.79590999999999,82.63096999999999,Singlet_Carbene_Intra_Disproportionation
11634,[N:1](=[C:2]1/[C:3]([H:9])=[C:4]([H:10])[C:5](=[O:6])[O:7]1)\[H:8],[N:1]([C:2]1=[C:3]=[C:4]([H:10])[C:5](=[O:6])[O:7]1)([H:8])[H:9],"InChI=1S/C4H3NO2/c5-3-1-2-4(6)7-3/h1-2,5H/b5-3-","InChI=1S/C4H3NO2/c5-3-1-2-4(6)7-3/h2H,5H2",66.52542,45.30639,
11635,[N:1](=[C:2]1/[C:3]([H:9])=[C:4]([H:10])[C:5](=[O:6])[O:7]1)\[H:8],[N:1](=[C:2]=[O:7])[H:8].[c:3]1([H:9])[c:4]([H:10])[c:5]1=[O:6],"InChI=1S/C4H3NO2/c5-3-1-2-4(6)7-3/h1-2,5H/b5-3-",InChI=1S/C3H2O.CHNO/c4-3-1-2-3;2-1-3/h1-2H;2H,73.42533,49.97615,
11636,[N:1](=[C:2]1/[C:3]([H:9])=[C:4]([H:10])[C:5](=[O:6])[O:7]1)\[H:8],[N:1](=[C:2]1/[C@:3]([C:4](=[C:5]=[O:6])[H:10])([H:9])[O:7]1)\[H:8],"InChI=1S/C4H3NO2/c5-3-1-2-4(6)7-3/h1-2,5H/b5-3-","InChI=1S/C4H3NO2/c5-4-3(7-4)1-2-6/h1,3,5H/b5-4-/t3-/m1/s1",53.94848,47.83859,
11637,[N:1](=[C:2]1/[C:3]([H:9])=[C:4]([H:10])[C:5](=[O:6])[O:7]1)\[H:8],[N:1]([C:2]1=[C:3]([H:9])[C:4]([H:10])=[C:5]=[O+:7]1)([O-:6])[H:8],"InChI=1S/C4H3NO2/c5-3-1-2-4(6)7-3/h1-2,5H/b5-3-","InChI=1S/C4H3NO2/c6-5-4-2-1-3-7-4/h1-2,5H",176.19978,110.53568999999999,
11638,[N:1](=[C:2]1/[C:3]([H:9])=[C:4]([H:10])[C:5](=[O:6])[O:7]1)\[H:8],[N:1](=[C:2]1/[C:3]([H:9])([H:10])[C+:4]=[C:5]([O-:6])[O:7]1)\[H:8],"InChI=1S/C4H3NO2/c5-3-1-2-4(6)7-3/h1-2,5H/b5-3-","InChI=1S/C4H3NO2/c5-3-1-2-4(6)7-3/h5H,1H2/b5-3-",81.86448,83.63404,Singlet_Carbene_Intra_Disproportionation
11639,[N:1](=[C:2]1/[C:3]([H:9])=[C:4]([H:10])[C:5](=[O:6])[O:7]1)\[H:8],[N:1]1([H:8])[C:2](=[O:7])[C@@:3]1([C:4](=[C:5]=[O:6])[H:10])[H:9],"InChI=1S/C4H3NO2/c5-3-1-2-4(6)7-3/h1-2,5H/b5-3-","InChI=1S/C4H3NO2/c6-2-1-3-4(7)5-3/h1,3H,(H,5,7)/t3-/m0/s1",49.43249,46.28615,
11640,[N:1](=[C:2]1/[C:3]([H:9])=[C:4]([H:10])[C:5](=[O:6])[O:7]1)\[H:8],[C-:5]#[O+:6].[C:3](#[C:4][H:10])[H:9].[N:1](=[C:2]=[O:7])[H:8],"InChI=1S/C4H3NO2/c5-3-1-2-4(6)7-3/h1-2,5H/b5-3-",InChI=1S/C2H2.CHNO.CO/c1-2;2-1-3;1-2/h1-2H;2H;,85.57426,48.2398,
11641,[N:1](=[C:2]1/[C:3]([H:9])=[C:4]([H:10])[C:5](=[O:6])[O:7]1)\[H:8],[N:1](=[C:2]1/[C:3]([H:9])=[C:4]([H:10])[O:6][C:5]1=[O:7])\[H:8],"InChI=1S/C4H3NO2/c5-3-1-2-4(6)7-3/h1-2,5H/b5-3-","InChI=1S/C4H3NO2/c5-3-1-2-7-4(3)6/h1-2,5H/b5-3-",87.7547,11.44704,
11642,[N:1](=[C:2]1/[C:3]([H:9])=[C:4]([H:10])[C:5](=[O:6])[O:7]1)\[H:8],[N:1](=[c:2]1/[c:3]([H:9])[c:4]([H:10])[o+:6][c-:5][o:7]1)\[H:8],"InChI=1S/C4H3NO2/c5-3-1-2-4(6)7-3/h1-2,5H/b5-3-","InChI=1S/C4H3NO2/c5-4-1-2-6-3-7-4/h1-2,5H/b5-4-",100.07426,59.973769999999995,
11643,[C:1]([n:2]1[n:3][c:4]([H:11])[o:5][c:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([N-:2][N+:3]#[C:4][H:11])([H:8])([H:9])[H:10].[O:5]=[C:6]=[O:7],"InChI=1S/C3H4N2O2/c1-5-3(6)7-2-4-5/h2H,1H3","InChI=1S/C2H4N2.CO2/c1-3-4-2;2-1-3/h1H,2H3;",48.46048,33.84363,
11644,[C:1]([n:2]1[n:3][c:4]([H:11])[o:5][c:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([O:7][c:6]1[n:2][n:3][c:4]([H:11])[o:5]1)([H:8])([H:9])[H:10],"InChI=1S/C3H4N2O2/c1-5-3(6)7-2-4-5/h2H,1H3","InChI=1S/C3H4N2O2/c1-6-3-5-4-2-7-3/h2H,1H3",72.28285,23.12385,ketoenol
11645,[C:1]([n:2]1[n:3][c:4]([H:11])[o:5][c:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([N:3]([N:2]=[C:6]=[O:7])[C:4](=[O:5])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C3H4N2O2/c1-5-3(6)7-2-4-5/h2H,1H3","InChI=1S/C3H4N2O2/c1-5(3-7)4-2-6/h3H,1H3",75.98201999999999,9.921330000000001,
11646,[C:1]([n:2]1[n:3][c:4]([H:11])[o:5][c:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([N:2]=[C:6]=[O:7])([H:8])([H:9])[H:10].[N:3](=[C:4]=[O:5])[H:11],"InChI=1S/C3H4N2O2/c1-5-3(6)7-2-4-5/h2H,1H3",InChI=1S/C2H3NO.CHNO/c1-3-2-4;2-1-3/h1H3;2H,54.8574,-14.278770000000002,
11647,[C:1]([n:2]1[n:3][c:4]([H:11])[o:5][c:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([N:2]=[C:6]1[O:5][O:7]1)([H:8])([H:9])[H:10].[N:3]#[C:4][H:11],"InChI=1S/C3H4N2O2/c1-5-3(6)7-2-4-5/h2H,1H3",InChI=1S/C2H3NO2.CHN/c1-3-2-4-5-2;1-2/h1H3;1H,109.09553000000001,100.41421,
11648,[C:1]([n:2]1[n:3][c:4]([H:11])[o:5][c:6]1=[O:7])([H:8])([H:9])[H:10],[C:1](=[N+:2]([N-:3][C:4](=[O:5])[H:11])[C:6](=[O:7])[H:10])([H:8])[H:9],"InChI=1S/C3H4N2O2/c1-5-3(6)7-2-4-5/h2H,1H3","InChI=1S/C3H4N2O2/c1-5(3-7)4-2-6/h2-3H,1H2",94.70229,38.10208,
11649,[C:1]([n:2]1[n:3][c:4]([H:11])[o:5][c:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([N:2]1[N:3]=[C:4]1[H:11])([H:8])([H:9])[H:10].[O:5]=[C:6]=[O:7],"InChI=1S/C3H4N2O2/c1-5-3(6)7-2-4-5/h2H,1H3","InChI=1S/C2H4N2.CO2/c1-4-2-3-4;2-1-3/h2H,1H3;",81.30008000000001,47.501979999999996,
11650,[C:1]([n:2]1[n:3][c:4]([H:11])[o:5][c:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([N:2]1[C:6](=[O:5])[O:7]1)([H:8])([H:9])[H:10].[N:3]#[C:4][H:11],"InChI=1S/C3H4N2O2/c1-5-3(6)7-2-4-5/h2H,1H3",InChI=1S/C2H3NO2.CHN/c1-3-2(4)5-3;1-2/h1H3;1H,73.9025,64.90136,
11651,[C:1]([n:2]1[n:3][c:4]([H:11])[o:5][c:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([C:6](/[N:2]=[N:3]\[C:4](=[O:5])[H:11])=[O:7])([H:8])([H:9])[H:10],"InChI=1S/C3H4N2O2/c1-5-3(6)7-2-4-5/h2H,1H3","InChI=1S/C3H4N2O2/c1-3(7)5-4-2-6/h2H,1H3/b5-4-",63.743959999999994,38.38868,
11652,[C:1]([n:2]1[n:3][c:4]([H:11])[o:5][c:6]1=[O:7])([H:8])([H:9])[H:10],[C-:6]#[O+:7].[C:1](/[N:2]=[N:3]/[C:4](=[O:5])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C3H4N2O2/c1-5-3(6)7-2-4-5/h2H,1H3","InChI=1S/C2H4N2O.CO/c1-3-4-2-5;1-2/h2H,1H3;/b4-3+;",53.86,44.91111,
11653,[C:1]([n:2]1[n:3][c:4]([H:11])[o:5][c:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([N:2]1[N:3]([C:4](=[O:5])[H:11])[C:6]1=[O:7])([H:8])([H:9])[H:10],"InChI=1S/C3H4N2O2/c1-5-3(6)7-2-4-5/h2H,1H3","InChI=1S/C3H4N2O2/c1-4-3(7)5(4)2-6/h2H,1H3",51.056979999999996,45.348440000000004,ketoenol
11654,[C:1]([C@@:2]1([H:11])[O:3][C:4]12[C:5]([H:12])([H:13])[O:6][C:7]2([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([C-:2]=[O+:3][C:4]1([H:11])[C:5]([H:12])([H:13])[O:6][C:7]1([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-4-5(7-4)2-6-3-5/h4H,2-3H2,1H3/t4-/m1/s1","InChI=1S/C5H8O2/c1-2-7-5-3-6-4-5/h5H,3-4H2,1H3",72.69793,42.89029,
11655,[C:1]([C@@:2]1([H:11])[O:3][C:4]12[C:5]([H:12])([H:13])[O:6][C:7]2([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([C:4]1([O+:3]=[C-:2][H:11])[C:5]([H:12])([H:13])[O:6][C:7]1([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-4-5(7-4)2-6-3-5/h4H,2-3H2,1H3/t4-/m1/s1","InChI=1S/C5H8O2/c1-5(6-2)3-7-4-5/h2H,3-4H2,1H3",96.65189000000001,48.45071,
11656,[C:1]([C@@:2]1([H:11])[O:3][C:4]12[C:5]([H:12])([H:13])[O:6][C:7]2([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[O:3][C@:4]1([C:7]([O+:6]=[C-:5][H:13])([H:14])[H:15])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-4-5(7-4)2-6-3-5/h4H,2-3H2,1H3/t4-/m1/s1","InChI=1S/C5H8O2/c1-4-5(7-4)3-6-2/h2,4-5H,3H2,1H3/t4-,5+/m1/s1",75.62377,49.63263,
11657,[C:1]([C@@:2]1([H:11])[O:3][C:4]12[C:5]([H:12])([H:13])[O:6][C:7]2([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[O:3][C@@:4]1([C:5]([O:6][H:15])([H:12])[H:13])[C:7][H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-4-5(7-4)2-6-3-5/h4H,2-3H2,1H3/t4-/m1/s1","InChI=1S/C5H8O2/c1-4-5(2,3-6)7-4/h2,4,6H,3H2,1H3/t4-,5-/m1/s1",69.48087,59.38806999999999,
11658,[C:1]([C@@:2]1([H:11])[O:3][C:4]12[C:5]([H:12])([H:13])[O:6][C:7]2([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([C:4]1([C:2](=[O:3])[H:11])[C:5]([H:12])([H:13])[O:6][C:7]1([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-4-5(7-4)2-6-3-5/h4H,2-3H2,1H3/t4-/m1/s1","InChI=1S/C5H8O2/c1-5(2-6)3-7-4-5/h2H,3-4H2,1H3",52.80039,-18.50216,
11659,[C:1]([C@@:2]1([H:11])[O:3][C:4]12[C:5]([H:12])([H:13])[O:6][C:7]2([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[O:3][C@:4]2([C:5]1([H:12])[H:13])[O:6][C:7]2([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-4-5(7-4)2-6-3-5/h4H,2-3H2,1H3/t4-/m1/s1","InChI=1S/C5H8O2/c1-4-2-5(7-4)3-6-5/h4H,2-3H2,1H3/t4-,5+/m1/s1",69.55069,-9.09711,
11660,[C:1]([C@@:2]1([H:11])[O:3][C:4]12[C:5]([H:12])([H:13])[O:6][C:7]2([H:14])[H:15])([H:8])([H:9])[H:10],[C:1](=[C:2]([O:3][C:4]1=[C:7]([H:14])[O:6][C:5]1([H:12])[H:13])[H:11])([H:8])[H:9].[H:10][H:15],"InChI=1S/C5H8O2/c1-4-5(7-4)2-6-3-5/h4H,2-3H2,1H3/t4-/m1/s1","InChI=1S/C5H6O2.H2/c1-2-7-5-3-6-4-5;/h2-3H,1,4H2;1H",67.66259000000001,33.62383,
11661,[C:1]([C@@:2]1([H:11])[O:3][C:4]12[C:5]([H:12])([H:13])[O:6][C:7]2([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([C:2][C:4]1([O:3][H:11])[C:5]([H:12])([H:13])[O:6][C:7]1([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-4-5(7-4)2-6-3-5/h4H,2-3H2,1H3/t4-/m1/s1","InChI=1S/C5H8O2/c1-2-5(6)3-7-4-5/h6H,3-4H2,1H3",65.41999,63.056430000000006,
11662,[C:1]([C@@:2]1([H:11])[O:3][C:4]12[C:5]([H:12])([H:13])[O:6][C:7]2([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[O:3][C:7]([H:14])([H:15])[C@:4]12[C:5]([H:12])([H:13])[O:6]2)([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-4-5(7-4)2-6-3-5/h4H,2-3H2,1H3/t4-/m1/s1","InChI=1S/C5H8O2/c1-4-5(2-6-4)3-7-5/h4H,2-3H2,1H3/t4-,5+/m1/s1",53.87072,-0.23636,
11663,[C:1]([C@@:2]1([H:11])[O:3][C:4]12[C:5]([H:12])([H:13])[O:6][C:7]2([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([C:2](=[O:3])[H:11])([H:8])([H:9])[H:10].[C:4]1([H:12])=[C:5]([H:13])[O:6][C:7]1([H:14])[H:15],"InChI=1S/C5H8O2/c1-4-5(7-4)2-6-3-5/h4H,2-3H2,1H3/t4-/m1/s1","InChI=1S/C3H4O.C2H4O/c1-2-4-3-1;1-2-3/h1-2H,3H2;2H,1H3",64.8256,6.249709999999999,
11664,[C:1]([C@@:2]1([H:11])[O:3][C:4]12[C:5]([H:12])([H:13])[O:6][C:7]2([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[O:3][C@:4]12[C:5]([H:12])([H:13])[O+:6]=[C-:7]2)([H:8])([H:9])[H:10].[H:14][H:15],"InChI=1S/C5H8O2/c1-4-5(7-4)2-6-3-5/h4H,2-3H2,1H3/t4-/m1/s1","InChI=1S/C5H6O2.H2/c1-4-5(7-4)2-6-3-5;/h4H,2H2,1H3;1H/t4-,5+;/m1./s1",76.48088,70.83038,
11665,[C:1]([C@@:2]1([H:11])[O:3][C:4]12[C:5]([H:12])([H:13])[O:6][C:7]2([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[O:3][C:4]12[C-:5]([H:13])[O+:6]=[C:7]2[H:14])([H:8])([H:9])[H:10].[H:12][H:15],"InChI=1S/C5H8O2/c1-4-5(7-4)2-6-3-5/h4H,2-3H2,1H3/t4-/m1/s1","InChI=1S/C5H6O2.H2/c1-4-5(7-4)2-6-3-5;/h2-4H,1H3;1H/t4-;/m1./s1",83.93356,79.67272,
11666,[C:1]([C@@:2]1([H:11])[O:3][C:4]12[C:5]([H:12])([H:13])[O:6][C:7]2([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([C-:2]([O+:3]=[C:4]1[C:5]([H:12])([H:13])[O:6][C:7]1([H:14])[H:15])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-4-5(7-4)2-6-3-5/h4H,2-3H2,1H3/t4-/m1/s1","InChI=1S/C5H8O2/c1-2-7-5-3-6-4-5/h2H,3-4H2,1H3",53.6121,43.92624,
11667,[C:1]([C@@:2]1([H:11])[O:3][C:4]12[C:5]([H:12])([H:13])[O:6][C:7]2([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([C:2](=[O:3])[C:4]1([H:11])[C:5]([H:12])([H:13])[O:6][C:7]1([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-4-5(7-4)2-6-3-5/h4H,2-3H2,1H3/t4-/m1/s1","InChI=1S/C5H8O2/c1-4(6)5-2-7-3-5/h5H,2-3H2,1H3",53.06633000000001,-23.07689,
11668,[C:1]([C@@:2]1([H:11])[O:3][C:4]12[C:5]([H:12])([H:13])[O:6][C:7]2([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([O:3][C:4]1([C:2][H:11])[C:5]([H:12])([H:13])[O:6][C:7]1([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-4-5(7-4)2-6-3-5/h4H,2-3H2,1H3/t4-/m1/s1","InChI=1S/C5H8O2/c1-5(6-2)3-7-4-5/h1H,3-4H2,2H3",103.6579,82.66201,
11669,[C:1]([C@@:2]1([H:11])[O:3][C:4]12[C:5]([H:12])([H:13])[O:6][C:7]2([H:14])[H:15])([H:8])([H:9])[H:10],[C:1](=[C:2]1[O:3][C:4]12[C:5]([H:12])([H:13])[O:6][C:7]2([H:14])[H:15])([H:8])[H:9].[H:10][H:11],"InChI=1S/C5H8O2/c1-4-5(7-4)2-6-3-5/h4H,2-3H2,1H3/t4-/m1/s1",InChI=1S/C5H6O2.H2/c1-4-5(7-4)2-6-3-5;/h1-3H2;1H,110.94893,34.87912,
11670,[C:1]([C@@:2]1([H:11])[O:3][C:4]12[C:5]([H:12])([H:13])[O:6][C:7]2([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([C:2]1=[O+:3][C@:4]12[C:5]([H:12])([H:13])[O:6][C-:7]2[H:14])([H:8])([H:9])[H:10].[H:11][H:15],"InChI=1S/C5H8O2/c1-4-5(7-4)2-6-3-5/h4H,2-3H2,1H3/t4-/m1/s1","InChI=1S/C5H6O2.H2/c1-4-5(7-4)2-6-3-5;/h2H,3H2,1H3;1H/t5-;/m1./s1",114.15286,83.50896,
11671,[C:1]([O:2][C:3]([C:4]([C:5]([H:13])([H:14])[H:15])([C:6]([H:16])([H:17])[H:18])[C:7]([H:19])([H:20])[H:21])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:19].[C:4]([C:5]([H:13])([H:14])[H:15])([C:6]([H:16])([H:17])[H:18])=[C:7]([H:20])[H:21].[O:2]=[C:3]([H:11])[H:12],"InChI=1S/C6H14O/c1-6(2,3)5-7-4/h5H2,1-4H3","InChI=1S/C4H8.CH2O.CH4/c1-4(2)3;1-2;/h1H2,2-3H3;1H2;1H4",77.27346999999999,21.44933,
11672,[C:1]([O:2][C:3]([C:4]([C:5]([H:13])([H:14])[H:15])([C:6]([H:16])([H:17])[H:18])[C:7]([H:19])([H:20])[H:21])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O+:2]=[C-:3][H:12])([H:8])([H:9])[H:10].[C:4]([C:5]([H:13])([H:14])[H:15])([C:6]([H:16])([H:17])[H:18])([C:7]([H:19])([H:20])[H:21])[H:11],"InChI=1S/C6H14O/c1-6(2,3)5-7-4/h5H2,1-4H3","InChI=1S/C4H10.C2H4O/c1-4(2)3;1-3-2/h4H,1-3H3;1H,2H3",69.84940999999999,69.5038,
11673,[C:1]([O:2][C:3]([C:4]([C:5]([H:13])([H:14])[H:15])([C:6]([H:16])([H:17])[H:18])[C:7]([H:19])([H:20])[H:21])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][H:19])([H:8])([H:9])[H:10].[C:3]1([H:11])([H:12])[C:4]([C:5]([H:13])([H:14])[H:15])([C:6]([H:16])([H:17])[H:18])[C:7]1([H:20])[H:21],"InChI=1S/C6H14O/c1-6(2,3)5-7-4/h5H2,1-4H3","InChI=1S/C5H10.CH4O/c1-5(2)3-4-5;1-2/h3-4H2,1-2H3;2H,1H3",87.18384,20.11658,
11674,[C:1]([O:2][C:3]([C:4]([C:5]([H:13])([H:14])[H:15])([C:6]([H:16])([H:17])[H:18])[C:7]([H:19])([H:20])[H:21])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]([C:4][C:5]([H:13])([H:14])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10].[C:6]([C:7]([H:19])([H:20])[H:21])([H:16])([H:17])[H:18],"InChI=1S/C6H14O/c1-6(2,3)5-7-4/h5H2,1-4H3","InChI=1S/C4H8O.C2H6/c1-3-4-5-2;1-2/h4H2,1-2H3;1-2H3",135.31927,95.36108,
11675,[C:1]([O:2][C:3]([C:4]([C:5]([H:13])([H:14])[H:15])([C:6]([H:16])([H:17])[H:18])[C:7]([H:19])([H:20])[H:21])([H:11])[H:12])([H:8])([H:9])[H:10],[C-:1]([O+:2]=[C:3]([C:4]([C:5]([H:13])([H:14])[H:15])([C:6]([H:16])([H:17])[H:18])[C:7]([H:19])([H:20])[H:21])[H:12])([H:9])[H:10].[H:8][H:11],"InChI=1S/C6H14O/c1-6(2,3)5-7-4/h5H2,1-4H3","InChI=1S/C6H12O.H2/c1-6(2,3)5-7-4;/h5H,4H2,1-3H3;1H",67.71399,73.34361,
11676,[C:1]([C:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[C:7]1([H:18])[H:19])([H:8])([H:9])[H:10],[C:1]([C:2](=[O:3])[C:4]([C:5]([C:6](=[C:7]([H:18])[H:19])[H:16])([H:14])[H:15])([H:12])[H:13])([H:8])([H:9])[H:10].[H:11][H:17],"InChI=1S/C6H12O/c1-6(7)4-2-3-5-6/h7H,2-5H2,1H3","InChI=1S/C6H10O.H2/c1-3-4-5-6(2)7;/h3H,1,4-5H2,2H3;1H",67.27195,29.38523,
11677,[C:1]([C:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[C:7]1([H:18])[H:19])([H:8])([H:9])[H:10],[C:1]([C@:2]12[C:4]([H:12])([H:13])[C@@:5]1([H:15])[C:6]([H:16])([H:17])[C:7]2([H:18])[H:19])([H:8])([H:9])[H:10].[O:3]([H:11])[H:14],"InChI=1S/C6H12O/c1-6(7)4-2-3-5-6/h7H,2-5H2,1H3","InChI=1S/C6H10.H2O/c1-6-3-2-5(6)4-6;/h5H,2-4H2,1H3;1H2/t5-,6+;/m1./s1",83.15934,39.23319,
11678,[C:1]([C:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[C:7]1([H:18])[H:19])([H:8])([H:9])[H:10],[C:1](/[C:2]([O:3][H:11])=[C:4](\[C:5]([C:6]([C:7]([H:13])([H:18])[H:19])([H:16])[H:17])([H:14])[H:15])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-6(7)4-2-3-5-6/h7H,2-5H2,1H3","InChI=1S/C6H12O/c1-3-4-5-6(2)7/h5,7H,3-4H2,1-2H3/b6-5+",79.33246,6.44078,
11679,[C:1]([C:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[C:7]1([H:18])[H:19])([H:8])([H:9])[H:10],[C:1]([C:2][C:7]([C:6]([C:5]([C:4]([O:3][H:11])([H:12])[H:13])([H:14])[H:15])([H:16])[H:17])([H:18])[H:19])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-6(7)4-2-3-5-6/h7H,2-5H2,1H3","InChI=1S/C6H12O/c1-2-3-4-5-6-7/h7H,3-6H2,1H3",105.10548,84.96703000000001,
11680,[C:1]([C:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[C:7]1([H:18])[H:19])([H:8])([H:9])[H:10],[C:1]([C@:5]1([H:15])[C:4]([H:13])=[C:2]([O:3][H:11])[C:7]([H:18])([H:19])[C:6]1([H:16])[H:17])([H:8])([H:9])[H:10].[H:12][H:14],"InChI=1S/C6H12O/c1-6(7)4-2-3-5-6/h7H,2-5H2,1H3","InChI=1S/C6H10O.H2/c1-5-2-3-6(7)4-5;/h4-5,7H,2-3H2,1H3;1H/t5-;/m0./s1",130.45845,23.2172,
11681,[C:1]([C:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[C:7]1([H:18])[H:19])([H:8])([H:9])[H:10],[C:1](=[C:2]1[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[C:7]1([H:18])[H:19])([H:8])[H:9].[O:3]([H:10])[H:11],"InChI=1S/C6H12O/c1-6(7)4-2-3-5-6/h7H,2-5H2,1H3",InChI=1S/C6H10.H2O/c1-6-4-2-3-5-6;/h1-5H2;1H2,55.74255,13.40884,"1,3_Insertion_ROR"
11682,[C:1]([C:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[C:7]1([H:18])[H:19])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:7]([H:18])[C:6]([H:16])([H:17])[C:5]([H:14])([H:15])[C:4]1([H:12])[H:13])([H:8])([H:9])[H:10].[O:3]([H:11])[H:19],"InChI=1S/C6H12O/c1-6(7)4-2-3-5-6/h7H,2-5H2,1H3","InChI=1S/C6H10.H2O/c1-6-4-2-3-5-6;/h4H,2-3,5H2,1H3;1H2",54.81373000000001,9.84402,"1,3_Insertion_ROR"
11683,[C:1]([C:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[C:7]1([H:18])[H:19])([H:8])([H:9])[H:10],[C:1]1([H:8])([H:9])[C:2](=[O:3])[C:7]([H:18])([H:19])[C:6]([H:16])([H:17])[C:5]([H:14])([H:15])[C:4]1([H:12])[H:13].[H:10][H:11],"InChI=1S/C6H12O/c1-6(7)4-2-3-5-6/h7H,2-5H2,1H3",InChI=1S/C6H10O.H2/c7-6-4-2-1-3-5-6;/h1-5H2;1H,85.65276999999999,16.08875,
11684,[C:1]([C:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[C:7]1([H:18])[H:19])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C@:5]1([C:6]([C:7]([H:15])([H:18])[H:19])([H:16])[H:17])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-6(7)4-2-3-5-6/h7H,2-5H2,1H3","InChI=1S/C6H12O/c1-3-5-4-6(5,2)7/h5,7H,3-4H2,1-2H3/t5-,6-/m1/s1",104.51385,21.73016,
11685,[C:1]([C:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[C:7]1([H:18])[H:19])([H:8])([H:9])[H:10],[C:1]([C:2](=[O:3])[C:4]1([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[C:7]1([H:18])[H:19])([H:8])([H:9])[H:10].[H:11][H:12],"InChI=1S/C6H12O/c1-6(7)4-2-3-5-6/h7H,2-5H2,1H3","InChI=1S/C6H10O.H2/c1-5(7)6-3-2-4-6;/h6H,2-4H2,1H3;1H",86.65689,33.34084,
11686,[C:1]([C:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[C:7]1([H:18])[H:19])([H:8])([H:9])[H:10],[C:1]([C:6]([C:7]([C:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C:5]1([H:14])[H:15])([H:18])[H:19])([H:16])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-6(7)4-2-3-5-6/h7H,2-5H2,1H3","InChI=1S/C6H12O/c1-2-3-6(7)4-5-6/h7H,2-5H2,1H3",132.4388,23.43359,
11687,[C:1]([C:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[C:7]1([H:18])[H:19])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]([H:17])=[C:7]1[H:19])([H:8])([H:9])[H:10].[H:16][H:18],"InChI=1S/C6H12O/c1-6(7)4-2-3-5-6/h7H,2-5H2,1H3","InChI=1S/C6H10O.H2/c1-6(7)4-2-3-5-6;/h2,4,7H,3,5H2,1H3;1H/t6-;/m0./s1",104.67456,28.82883,
11688,[C:1]([C:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[C:7]1([H:18])[H:19])([H:8])([H:9])[H:10],[C:1]([C:4]([C:2]([O:3][H:11])=[C:7]([H:18])[H:19])([H:12])[H:13])([H:8])([H:9])[H:10].[C:5](=[C:6]([H:16])[H:17])([H:14])[H:15],"InChI=1S/C6H12O/c1-6(7)4-2-3-5-6/h7H,2-5H2,1H3","InChI=1S/C4H8O.C2H4/c1-3-4(2)5;1-2/h5H,2-3H2,1H3;1-2H2",107.64581000000001,32.184470000000005,
11689,[C:1]([C:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[C:7]1([H:18])[H:19])([H:8])([H:9])[H:10],[C:1]1([H:8])([H:9])[C@@:2]2([O:3][H:11])[C@:4]1([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[C:7]2([H:18])[H:19].[H:10][H:12],"InChI=1S/C6H12O/c1-6(7)4-2-3-5-6/h7H,2-5H2,1H3","InChI=1S/C6H10O.H2/c7-6-3-1-2-5(6)4-6;/h5,7H,1-4H2;1H/t5-,6-;/m1./s1",99.70878,39.630829999999996,
11690,[C:1]([C:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[C:7]1([H:18])[H:19])([H:8])([H:9])[H:10],[C:1]([C:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C:7]1([H:18])[H:19])([H:8])([H:9])[H:10].[C:5](=[C:6]([H:16])[H:17])([H:14])[H:15],"InChI=1S/C6H12O/c1-6(7)4-2-3-5-6/h7H,2-5H2,1H3","InChI=1S/C4H8O.C2H4/c1-4(5)2-3-4;1-2/h5H,2-3H2,1H3;1-2H2",105.36072,45.22294,
11691,[C:1]([C:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[C:7]1([H:18])[H:19])([H:8])([H:9])[H:10],[C:1]([C@@:2]([O:3][H:11])([C:5](=[C:4]([H:12])[H:13])[H:14])[C:7]([C:6]([H:15])([H:16])[H:17])([H:18])[H:19])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-6(7)4-2-3-5-6/h7H,2-5H2,1H3","InChI=1S/C6H12O/c1-4-6(3,7)5-2/h4,7H,1,5H2,2-3H3/t6-/m1/s1",95.16156,13.37832,
11692,[C:1]([C:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[C:7]1([H:18])[H:19])([H:8])([H:9])[H:10],[C:1]([C:2][O:3][H:11])([H:8])([H:9])[H:10].[C:4]1([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[C:7]1([H:18])[H:19],"InChI=1S/C6H12O/c1-6(7)4-2-3-5-6/h7H,2-5H2,1H3","InChI=1S/C4H8.C2H4O/c1-2-4-3-1;1-2-3/h1-4H2;3H,1H3",123.07638,87.9902,
11693,[C:1]([C:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[C:7]1([H:18])[H:19])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:11].[C:2]1(=[O:3])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[C:7]1([H:18])[H:19],"InChI=1S/C6H12O/c1-6(7)4-2-3-5-6/h7H,2-5H2,1H3",InChI=1S/C5H8O.CH4/c6-5-3-1-2-4-5;/h1-4H2;1H4,74.16569,1.4713100000000001,
11694,[C:1]([C:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[C:7]1([H:18])[H:19])([H:8])([H:9])[H:10],[C:1]([C@:2]([O:3][H:11])([C:7]([C:6]([C:5](=[C:4]([H:12])[H:13])[H:15])([H:16])[H:17])([H:18])[H:19])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-6(7)4-2-3-5-6/h7H,2-5H2,1H3","InChI=1S/C6H12O/c1-3-4-5-6(2)7/h3,6-7H,1,4-5H2,2H3/t6-/m0/s1",81.51881999999999,16.42575,
11695,[C:1]([N:2]([C:3]([C:4](=[O:5])[O:6][C:7]([H:14])([H:15])[H:16])([H:12])[H:13])[H:11])([H:8])([H:9])[H:10],[C-:4]#[O+:5].[C:1]([O:6][C:7]([H:14])([H:15])[H:16])([H:8])([H:9])[H:10].[N:2](=[C:3]([H:12])[H:13])[H:11],"InChI=1S/C4H9NO2/c1-5-3-4(6)7-2/h5H,3H2,1-2H3","InChI=1S/C2H6O.CH3N.CO/c1-3-2;2*1-2/h1-2H3;2H,1H2;",105.12858999999999,38.66199,
11696,[C:1]([N:2]([C:3]([C:4](=[O:5])[O:6][C:7]([H:14])([H:15])[H:16])([H:12])[H:13])[H:11])([H:8])([H:9])[H:10],[C:1]([N:2]([C:3](=[C:4]=[O:5])[H:13])[H:11])([H:8])([H:9])[H:10].[O:6]([C:7]([H:14])([H:15])[H:16])[H:12],"InChI=1S/C4H9NO2/c1-5-3-4(6)7-2/h5H,3H2,1-2H3","InChI=1S/C3H5NO.CH4O/c1-4-2-3-5;1-2/h2,4H,1H3;2H,1H3",65.0218,40.31581,"1,3_Insertion_ROR"
11697,[C:1]([N:2]([C:3]([C:4](=[O:5])[O:6][C:7]([H:14])([H:15])[H:16])([H:12])[H:13])[H:11])([H:8])([H:9])[H:10],[C:1]([N-:2][C:3]([C:4](=[O:5])[O+:6]=[C:7]([H:14])[H:16])([H:12])[H:13])([H:8])([H:9])[H:10].[H:11][H:15],"InChI=1S/C4H9NO2/c1-5-3-4(6)7-2/h5H,3H2,1-2H3","InChI=1S/C4H7NO2.H2/c1-5-3-4(6)7-2;/h2-3H2,1H3;1H",90.93937,93.88946999999999,
11698,[C:1]([N:2]([C:3]([C:4](=[O:5])[O:6][C:7]([H:14])([H:15])[H:16])([H:12])[H:13])[H:11])([H:8])([H:9])[H:10],[C-:4]#[O+:5].[C:1]([N:2]=[C:3]([H:12])[H:13])([H:8])([H:9])[H:10].[O:6]([C:7]([H:14])([H:15])[H:16])[H:11],"InChI=1S/C4H9NO2/c1-5-3-4(6)7-2/h5H,3H2,1-2H3","InChI=1S/C2H5N.CH4O.CO/c1-3-2;2*1-2/h1H2,2H3;2H,1H3;",58.02783,32.74749,
11699,[C:1]([N:2]([C:3]([C:4](=[O:5])[O:6][C:7]([H:14])([H:15])[H:16])([H:12])[H:13])[H:11])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:12].[N:2](=[C:3](/[C:4](=[O:5])[O:6][C:7]([H:14])([H:15])[H:16])[H:13])\[H:11],"InChI=1S/C4H9NO2/c1-5-3-4(6)7-2/h5H,3H2,1-2H3","InChI=1S/C3H5NO2.CH4/c1-6-3(5)2-4;/h2,4H,1H3;1H4/b4-2+;",88.35415,7.50276,
11700,[C:1]([N:2]([C:3]([C:4](=[O:5])[O:6][C:7]([H:14])([H:15])[H:16])([H:12])[H:13])[H:11])([H:8])([H:9])[H:10],[C:1]([N:2]([C@@:4]1([O:6][C:7]([H:14])([H:15])[H:16])[C:3]([H:12])([H:13])[O:5]1)[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H9NO2/c1-5-3-4(6)7-2/h5H,3H2,1-2H3","InChI=1S/C4H9NO2/c1-5-4(6-2)3-7-4/h5H,3H2,1-2H3/t4-/m1/s1",84.49176,37.8544,
11701,[C:1]([N:2]([C:3]([C:4](=[O:5])[O:6][C:7]([H:14])([H:15])[H:16])([H:12])[H:13])[H:11])([H:8])([H:9])[H:10],[C:1]([N:2](/[C:3](=[C:4](\[O:5][H:12])[O:6][C:7]([H:14])([H:15])[H:16])[H:13])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H9NO2/c1-5-3-4(6)7-2/h5H,3H2,1-2H3","InChI=1S/C4H9NO2/c1-5-3-4(6)7-2/h3,5-6H,1-2H3/b4-3+",74.51054,19.3264,ketoenol
11702,[C:1]([N:2]([C:3]([C:4](=[O:5])[O:6][C:7]([H:14])([H:15])[H:16])([H:12])[H:13])[H:11])([H:8])([H:9])[H:10],[C:1](/[N+:2](=[C:3](/[C+:4]([O-:5])[O-:6])[H:13])[H:11])([H:8])([H:9])[H:10].[C:7]([H:12])([H:14])([H:15])[H:16],"InChI=1S/C4H9NO2/c1-5-3-4(6)7-2/h5H,3H2,1-2H3","InChI=1S/C3H4NO2.CH4/c1-4-2-3(5)6;/h2H,1H3;1H4/q-1;/p+1/b4-2+;",61.981609999999996,17.9556,
11703,[C:1]([N:2]([C:3]([C:4](=[O:5])[O:6][C:7]([H:14])([H:15])[H:16])([H:12])[H:13])[H:11])([H:8])([H:9])[H:10],[C:1]([N+:2]([C:3](=[C:4]([O-:5])[O:6][C:7]([H:14])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H9NO2/c1-5-3-4(6)7-2/h5H,3H2,1-2H3","InChI=1S/C4H9NO2/c1-5-3-4(6)7-2/h3,5-6H,1-2H3",59.12399,29.2886,
11704,[C:1]([N:2]([C:3]([C:4](=[O:5])[O:6][C:7]([H:14])([H:15])[H:16])([H:12])[H:13])[H:11])([H:8])([H:9])[H:10],[C-:1]([N:2]([C+:3]([H:12])[H:13])[H:11])([H:8])[H:10].[C:4](=[O:5])([O:6][C:7]([H:14])([H:15])[H:16])[H:9],"InChI=1S/C4H9NO2/c1-5-3-4(6)7-2/h5H,3H2,1-2H3","InChI=1S/C2H5N.C2H4O2/c1-3-2;1-4-2-3/h3H,1-2H2;2H,1H3",54.97006999999999,53.56998000000001,
11705,[C:1]([N:2]([C:3]([C:4](=[O:5])[O:6][C:7]([H:14])([H:15])[H:16])([H:12])[H:13])[H:11])([H:8])([H:9])[H:10],[C:1]([N:2]1[C:3]([H:12])([H:13])[C@:4]1([O:5][H:11])[O:6][C:7]([H:14])([H:15])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C4H9NO2/c1-5-3-4(6)7-2/h5H,3H2,1-2H3","InChI=1S/C4H9NO2/c1-5-3-4(5,6)7-2/h6H,3H2,1-2H3/t4-,5?/m0/s1",62.17895,35.63818,
11706,[C:1]([N:2]([C:3]([C:4](=[O:5])[O:6][C:7]([H:14])([H:15])[H:16])([H:12])[H:13])[H:11])([H:8])([H:9])[H:10],[C:1](=[N:2][H:11])([H:8])[H:10].[C:3]([C:4](=[O:5])[O:6][C:7]([H:14])([H:15])[H:16])([H:9])([H:12])[H:13],"InChI=1S/C4H9NO2/c1-5-3-4(6)7-2/h5H,3H2,1-2H3","InChI=1S/C3H6O2.CH3N/c1-3(4)5-2;1-2/h1-2H3;2H,1H2",83.2884,10.43465,
11707,[C:1]([N:2]([C:3]([C:4](=[O:5])[O:6][C:7]([H:14])([H:15])[H:16])([H:12])[H:13])[H:11])([H:8])([H:9])[H:10],[C:1]([N:2]([C:3]([C:4](=[O:5])[H:15])([H:12])[H:13])[H:11])([H:8])([H:9])[H:10].[O:6]=[C:7]([H:14])[H:16],"InChI=1S/C4H9NO2/c1-5-3-4(6)7-2/h5H,3H2,1-2H3","InChI=1S/C3H7NO.CH2O/c1-4-2-3-5;1-2/h3-4H,2H2,1H3;1H2",66.67313,33.27661,
11708,[C:1]([N:2]([C:3]([C:4](=[O:5])[O:6][C:7]([H:14])([H:15])[H:16])([H:12])[H:13])[H:11])([H:8])([H:9])[H:10],[C:1]([N+:2]([C:3]([C:4](=[O:5])[O-:6])([H:12])[H:13])([C:7]([H:14])([H:15])[H:16])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H9NO2/c1-5-3-4(6)7-2/h5H,3H2,1-2H3","InChI=1S/C4H9NO2/c1-5(2)3-4(6)7/h3H2,1-2H3,(H,6,7)",52.679559999999995,19.030620000000003,
11709,[C:1]([N:2]([C:3]([C:4](=[O:5])[O:6][C:7]([H:14])([H:15])[H:16])([H:12])[H:13])[H:11])([H:8])([H:9])[H:10],[C-:1]([N:2]([C+:3]([H:12])[H:13])[H:11])([H:8])[H:10].[C-:4]#[O+:5].[O:6]([C:7]([H:14])([H:15])[H:16])[H:9],"InChI=1S/C4H9NO2/c1-5-3-4(6)7-2/h5H,3H2,1-2H3","InChI=1S/C2H5N.CH4O.CO/c1-3-2;2*1-2/h3H,1-2H2;2H,1H3;",66.956,66.10133,
11710,[C:1]([N:2]([C:3]([C:4](=[O:5])[O:6][C:7]([H:14])([H:15])[H:16])([H:12])[H:13])[H:11])([H:8])([H:9])[H:10],[C:1]1([H:8])([H:10])[N:2]([H:11])[C:3]([H:12])([H:13])[C:4]1([O:5][H:9])[O:6][C:7]([H:14])([H:15])[H:16],"InChI=1S/C4H9NO2/c1-5-3-4(6)7-2/h5H,3H2,1-2H3","InChI=1S/C4H9NO2/c1-7-4(6)2-5-3-4/h5-6H,2-3H2,1H3",84.48206,33.3264,
11711,[C:1]([N:2]([C:3]([C:4](=[O:5])[O:6][C:7]([H:14])([H:15])[H:16])([H:12])[H:13])[H:11])([H:8])([H:9])[H:10],[C:1]([N:2]([C:3]([C:4]([O:5][H:15])=[O+:6][C-:7]([H:14])[H:16])([H:12])[H:13])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H9NO2/c1-5-3-4(6)7-2/h5H,3H2,1-2H3","InChI=1S/C4H9NO2/c1-5-3-4(6)7-2/h5-6H,2-3H2,1H3",76.21307,70.66086,
11712,[O:1]=[C:2]([c:3]1[c:4]([H:9])[n:5][c:6]([H:10])[n:7]1[H:11])[H:8],[O:1]=[C:2]=[C:3]1[C:4]([H:8])([H:9])[N:5]=[C:6]([H:10])[N:7]1[H:11],"InChI=1S/C4H4N2O/c7-2-4-1-5-3-6-4/h1-3H,(H,5,6)","InChI=1S/C4H4N2O/c7-2-4-1-5-3-6-4/h3H,1H2,(H,5,6)",89.57144,34.91388,
11713,[O:1]=[C:2]([c:3]1[c:4]([H:9])[n:5][c:6]([H:10])[n:7]1[H:11])[H:8],[O:1]=[C:4](/[N:5]=[C:6](\[N:7]([C:3]#[C:2][H:8])[H:11])[H:10])[H:9],"InChI=1S/C4H4N2O/c7-2-4-1-5-3-6-4/h1-3H,(H,5,6)","InChI=1S/C4H4N2O/c1-2-5-3-6-4-7/h1,3-4H,(H,5,6,7)",121.69057,55.26718,
11714,[O:1]=[C:2]([c:3]1[c:4]([H:9])[n:5][c:6]([H:10])[n:7]1[H:11])[H:8],[O:1]=[C:2]([C:3]1=[C:4]([H:9])[N:5]([H:10])[C:6][N:7]1[H:11])[H:8],"InChI=1S/C4H4N2O/c7-2-4-1-5-3-6-4/h1-3H,(H,5,6)","InChI=1S/C4H4N2O/c7-2-4-1-5-3-6-4/h1-2,5-6H",71.93816,34.31514,
11715,[O:1]=[C:2]([c:3]1[c:4]([H:9])[n:5][c:6]([H:10])[n:7]1[H:11])[H:8],[N:5]#[C:6][H:10].[O:1]=[C:2]([C:4](=[C:3]=[N:7][H:11])[H:9])[H:8],"InChI=1S/C4H4N2O/c7-2-4-1-5-3-6-4/h1-3H,(H,5,6)","InChI=1S/C3H3NO.CHN/c4-2-1-3-5;1-2/h1,3-4H;1H",112.94535,45.957840000000004,
11716,[O:1]=[C:2]([c:3]1[c:4]([H:9])[n:5][c:6]([H:10])[n:7]1[H:11])[H:8],[O:1]=[C:2]([c:3]1[c-:4][n:5]([H:9])[c+:6]([H:10])[n:7]1[H:11])[H:8],"InChI=1S/C4H4N2O/c7-2-4-1-5-3-6-4/h1-3H,(H,5,6)","InChI=1S/C4H4N2O/c7-2-4-1-5-3-6-4/h2-3,5-6H",81.86548,47.30064,
11717,[O:1]=[C:2]([c:3]1[c:4]([H:9])[n:5][c:6]([H:10])[n:7]1[H:11])[H:8],[O:1]=[C:2]([C@@:3]1([H:11])[C:4]([H:9])=[N:5][C:6]([H:10])=[N:7]1)[H:8],"InChI=1S/C4H4N2O/c7-2-4-1-5-3-6-4/h1-3H,(H,5,6)",InChI=1S/C4H4N2O/c7-2-4-1-5-3-6-4/h1-4H/t4-/m1/s1,55.32465,30.83935,
11718,[O:1]=[C:2]([c:3]1[c:4]([H:9])[n:5][c:6]([H:10])[n:7]1[H:11])[H:8],[O:1](/[C:2](=[C:3]1/[C:4]([H:9])=[N:5][C:6]([H:10])=[N:7]1)[H:8])[H:11],"InChI=1S/C4H4N2O/c7-2-4-1-5-3-6-4/h1-3H,(H,5,6)","InChI=1S/C4H4N2O/c7-2-4-1-5-3-6-4/h1-3,7H/b4-2-",22.52246,12.38598,
11719,[O:1]=[C:2]([c:3]1[c:4]([H:9])[n:5][c:6]([H:10])[n:7]1[H:11])[H:8],[O:1]1[C@@:2]2([H:8])[C-:3]=[N+:7]([H:11])[C:6]([H:10])=[N:5][C@@:4]12[H:9],"InChI=1S/C4H4N2O/c7-2-4-1-5-3-6-4/h1-3H,(H,5,6)","InChI=1S/C4H4N2O/c1-3-4(7-3)6-2-5-1/h2-5H/t3-,4-/m0/s1",105.68253,79.42279,
11720,[O:1]=[C:2]([c:3]1[c:4]([H:9])[n:5][c:6]([H:10])[n:7]1[H:11])[H:8],[O:1]=[C:2]([C@@:3]12[C:4]([H:9])=[N:5][C@:6]1([H:10])[N:7]2[H:11])[H:8],"InChI=1S/C4H4N2O/c7-2-4-1-5-3-6-4/h1-3H,(H,5,6)","InChI=1S/C4H4N2O/c7-2-4-1-5-3(4)6-4/h1-3,6H/t3-,4+/m1/s1",91.18319,82.73048,
11721,[O:1]=[C:2]([c:3]1[c:4]([H:9])[n:5][c:6]([H:10])[n:7]1[H:11])[H:8],[O:1]=[C:2]([C@:3]1([H:9])[C-:4]=[N+:5]=[C:6]([H:10])[N:7]1[H:11])[H:8],"InChI=1S/C4H4N2O/c7-2-4-1-5-3-6-4/h1-3H,(H,5,6)","InChI=1S/C4H4N2O/c7-2-4-1-5-3-6-4/h2-4,6H/t4-/m0/s1",83.26595999999999,77.84016,Singlet_Carbene_Intra_Disproportionation
11722,[O:1]=[C:2]([c:3]1[c:4]([H:9])[n:5][c:6]([H:10])[n:7]1[H:11])[H:8],[O:1]=[C:2](/[C:3]([C-:4]([N+:5]#[C:6][H:10])[H:9])=[N:7]\[H:11])[H:8],"InChI=1S/C4H4N2O/c7-2-4-1-5-3-6-4/h1-3H,(H,5,6)","InChI=1S/C4H4N2O/c1-6-2-4(5)3-7/h1-3,5H/b5-4-",61.094559999999994,62.42612,
11723,[O:1]=[C:2]([c:3]1[c:4]([H:9])[n:5][c:6]([H:10])[n:7]1[H:11])[H:8],[O+:1]#[C-:2].[c:3]1([H:8])[c:4]([H:9])[n:5][c:6]([H:10])[n:7]1[H:11],"InChI=1S/C4H4N2O/c7-2-4-1-5-3-6-4/h1-3H,(H,5,6)","InChI=1S/C3H4N2.CO/c1-2-5-3-4-1;1-2/h1-3H,(H,4,5);",86.07569000000001,8.73887,"1,2_Insertion_CO"
11724,[O:1]=[C:2]([c:3]1[c:4]([H:9])[n:5][c:6]([H:10])[n:7]1[H:11])[H:8],[O:1]=[C:2]([C:3]1=[N:7][C:6]([H:10])([H:11])[N:5]=[C:4]1[H:9])[H:8],"InChI=1S/C4H4N2O/c7-2-4-1-5-3-6-4/h1-3H,(H,5,6)","InChI=1S/C4H4N2O/c7-2-4-1-5-3-6-4/h1-2H,3H2",52.35653,28.169240000000002,
11725,[O:1]=[C:2]([c:3]1[c:4]([H:9])[n:5][c:6]([H:10])[n:7]1[H:11])[H:8],[O:1]=[C:2]=[C:3]1[C:4]([H:9])=[N:5][C:6]([H:8])([H:10])[N:7]1[H:11],"InChI=1S/C4H4N2O/c7-2-4-1-5-3-6-4/h1-3H,(H,5,6)","InChI=1S/C4H4N2O/c7-2-4-1-5-3-6-4/h1,6H,3H2",82.44286,36.712070000000004,
11726,[O:1]=[C:2]([c:3]1[c:4]([H:9])[n:5][c:6]([H:10])[n:7]1[H:11])[H:8],[O:1]=[c:2]1[c:3]([H:8])[c:4]([H:9])[n:5][c:6]([H:10])[n:7]1[H:11],"InChI=1S/C4H4N2O/c7-2-4-1-5-3-6-4/h1-3H,(H,5,6)","InChI=1S/C4H4N2O/c7-4-1-2-5-3-6-4/h1-3H,(H,5,6,7)",75.89468000000001,-10.66109,
11727,[O:1]=[C:2]([c:3]1[c:4]([H:9])[n:5][c:6]([H:10])[n:7]1[H:11])[H:8],[H:8][H:9].[O:1]=[C-:2][C:3]1=[C:4]=[N+:5]=[C:6]([H:10])[N:7]1[H:11],"InChI=1S/C4H4N2O/c7-2-4-1-5-3-6-4/h1-3H,(H,5,6)",InChI=1S/C4HN2O.H2/c7-2-4-1-5-3-6-4;/h3H;1H/q-1;/p+1,89.76857,92.68733,
11728,[O:1]=[C:2]([c:3]1[c:4]([H:9])[n:5][c:6]([H:10])[n:7]1[H:11])[H:8],[O:1]=[C:2](/[C:3]([C@:4]1([H:9])[N:5]=[C:6]1[H:10])=[N:7]\[H:11])[H:8],"InChI=1S/C4H4N2O/c7-2-4-1-5-3-6-4/h1-3H,(H,5,6)","InChI=1S/C4H4N2O/c5-3(2-7)4-1-6-4/h1-2,4-5H/b5-3+/t4-/m1/s1",101.6974,62.34723,
11729,[O:1]=[C:2]([c:3]1[c:4]([H:9])[n:5][c:6]([H:10])[n:7]1[H:11])[H:8],[O:1]=[C:2]([C:3](=[C:4]=[N:5][C:6](=[N:7][H:11])[H:10])[H:9])[H:8],"InChI=1S/C4H4N2O/c7-2-4-1-5-3-6-4/h1-3H,(H,5,6)","InChI=1S/C4H4N2O/c5-4-6-2-1-3-7/h1,3-5H",96.74176,39.55981,
11730,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4]#[C:5][H:14])[C:6]#[C:7][H:15])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:5](=[C:4])[H:14])[C:6]#[C:7][H:15])([H:8])([H:9])[H:10],"InChI=1S/C7H8/c1-5-7(3,4)6-2/h1-2H,3-4H3","InChI=1S/C7H8/c1-5-7(3,4)6-2/h1,6H,3-4H3",60.217,51.1693,Singlet_Carbene_Intra_Disproportionation
11731,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4]#[C:5][H:14])[C:6]#[C:7][H:15])([H:8])([H:9])[H:10],[C:1]([C@:2]1([C:4]#[C:5][H:14])[C@@:3]2([H:12])[C:6]1=[C:7]2[H:15])([H:8])([H:9])[H:10].[H:11][H:13],"InChI=1S/C7H8/c1-5-7(3,4)6-2/h1-2H,3-4H3","InChI=1S/C7H6.H2/c1-3-7(2)5-4-6(5)7;/h1,4-5H,2H3;1H/t5-,7+;/m1./s1",110.60216000000001,66.35897,
11732,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4]#[C:5][H:14])[C:6]#[C:7][H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([C:6]#[C:7][H:15])[C:3]([H:11])([H:13])[C:5]([H:12])([H:14])[C:4]1)([H:8])([H:9])[H:10],"InChI=1S/C7H8/c1-5-7(3,4)6-2/h1-2H,3-4H3","InChI=1S/C7H8/c1-3-7(2)5-4-6-7/h1H,4-5H2,2H3/t7-/m1/s1",90.34794000000001,64.51852,
11733,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4]#[C:5][H:14])[C:6]#[C:7][H:15])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:4]=[C:5]([C:3]([H:11])([H:12])[H:13])[H:14])[C:6]#[C:7][H:15])([H:8])([H:9])[H:10],"InChI=1S/C7H8/c1-5-7(3,4)6-2/h1-2H,3-4H3","InChI=1S/C7H8/c1-4-6-7(3)5-2/h2,4H,1,3H3",64.92081999999999,-13.99659,
11734,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4]#[C:5][H:14])[C:6]#[C:7][H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([C:6]#[C:7][H:15])[C:3]([H:11])([H:13])[C:4]1=[C:5]([H:12])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C7H8/c1-5-7(3,4)6-2/h1-2H,3-4H3","InChI=1S/C7H8/c1-4-7(3)5-6(7)2/h1H,2,5H2,3H3/t7-/m1/s1",82.99754,-3.91646,
11735,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4]#[C:5][H:14])[C:6]#[C:7][H:15])([H:8])([H:9])[H:10],[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[C-:4]=[C:5]([H:14])[C:7]([H:15])=[C+:6]1)([H:8])([H:9])[H:10],"InChI=1S/C7H8/c1-5-7(3,4)6-2/h1-2H,3-4H3","InChI=1S/C7H8/c1-7(2)5-3-4-6-7/h3-4H,1-2H3",74.19324,46.20369,
11736,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4]#[C:5][H:14])[C:6]#[C:7][H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([C:6]#[C:7][H:15])[C:3]([H:11])([H:13])[C@:4]1([C:5][H:14])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C7H8/c1-5-7(3,4)6-2/h1-2H,3-4H3","InChI=1S/C7H8/c1-4-7(3)5-6(7)2/h1-2,6H,5H2,3H3/t6-,7-/m1/s1",84.24954,59.69995,
11737,[C:1](/[N:2]=[C:3](\[N:4]([H:11])[H:12])[C:5](=[O:6])[N:7]([H:13])[H:14])([H:8])([H:9])[H:10],[C:1]([N:2]([C:3](=[N+:4]([H:11])[H:12])[C:5](=[O:6])[N-:7][H:14])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C3H7N3O/c1-6-2(4)3(5)7/h1H3,(H2,4,6)(H2,5,7)","InChI=1S/C3H7N3O/c1-6-2(4)3(5)7/h1H3,(H4,4,5,6,7)",17.39613,16.0717,
11738,[C:1](/[N:2]=[C:3](\[N:4]([H:11])[H:12])[C:5](=[O:6])[N:7]([H:13])[H:14])([H:8])([H:9])[H:10],[C:1]([N:2]=[C:3]=[C:5]([O:6][N:4]([H:11])[H:12])[N:7]([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C3H7N3O/c1-6-2(4)3(5)7/h1H3,(H2,4,6)(H2,5,7)","InChI=1S/C3H7N3O/c1-6-2-3(4)7-5/h4-5H2,1H3",110.48605,99.13892,ketoenol
11739,[C:1](/[N:2]=[C:3](\[N:4]([H:11])[H:12])[C:5](=[O:6])[N:7]([H:13])[H:14])([H:8])([H:9])[H:10],[C:1](=[N:2][C:3]([N:4]([H:11])[H:12])=[C:5]([O-:6])[N+:7]([H:9])([H:13])[H:14])([H:8])[H:10],"InChI=1S/C3H7N3O/c1-6-2(4)3(5)7/h1H3,(H2,4,6)(H2,5,7)","InChI=1S/C3H7N3O/c1-6-2(4)3(5)7/h7H,1,4-5H2",60.226859999999995,57.4606,
11740,[C:1](/[N:2]=[C:3](\[N:4]([H:11])[H:12])[C:5](=[O:6])[N:7]([H:13])[H:14])([H:8])([H:9])[H:10],[C:1](=[N:2]/[C:3]([N:4]([H:11])[H:12])=[C:5](\[O:6][H:9])[N:7]([H:13])[H:14])([H:8])[H:10],"InChI=1S/C3H7N3O/c1-6-2(4)3(5)7/h1H3,(H2,4,6)(H2,5,7)","InChI=1S/C3H7N3O/c1-6-2(4)3(5)7/h7H,1,4-5H2/b3-2-",47.95458,34.6336,
11741,[C:1](/[N:2]=[C:3](\[N:4]([H:11])[H:12])[C:5](=[O:6])[N:7]([H:13])[H:14])([H:8])([H:9])[H:10],[C:1](/[N:2]=[C:3]([N:4]([H:11])[H:12])/[C:5]([O:6][H:13])=[N:7]\[H:14])([H:8])([H:9])[H:10],"InChI=1S/C3H7N3O/c1-6-2(4)3(5)7/h1H3,(H2,4,6)(H2,5,7)","InChI=1S/C3H7N3O/c1-6-2(4)3(5)7/h1H3,(H2,4,6)(H2,5,7)",45.35191,13.82594,ketoenol
11742,[C:1](/[N:2]=[C:3](\[N:4]([H:11])[H:12])[C:5](=[O:6])[N:7]([H:13])[H:14])([H:8])([H:9])[H:10],[C:1]([N:2]([C:3]([N:4]([H:11])[H:12])=[C+:5][N:7]([H:13])[H:14])[O-:6])([H:8])([H:9])[H:10],"InChI=1S/C3H7N3O/c1-6-2(4)3(5)7/h1H3,(H2,4,6)(H2,5,7)","InChI=1S/C3H7N3O/c1-6(7)3(5)2-4/h4-5H2,1H3",105.43993999999999,109.35348,
11743,[C:1](/[N:2]=[C:3](\[N:4]([H:11])[H:12])[C:5](=[O:6])[N:7]([H:13])[H:14])([H:8])([H:9])[H:10],[C:1](/[N:2]=[C:3](\[N:4]([H:11])[H:12])[H:13])([H:8])([H:9])[H:10].[C:5](=[O:6])=[N:7][H:14],"InChI=1S/C3H7N3O/c1-6-2(4)3(5)7/h1H3,(H2,4,6)(H2,5,7)","InChI=1S/C2H6N2.CHNO/c1-4-2-3;2-1-3/h2H,1H3,(H2,3,4);2H",78.1464,21.8135,
11744,[C:1](/[N:2]=[C:3](\[N:4]([H:11])[H:12])[C:5](=[O:6])[N:7]([H:13])[H:14])([H:8])([H:9])[H:10],[C:1](/[N:2]=[C:3](\[N:4]([H:11])[H:12])[O:6][C-:5]=[N+:7]([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C3H7N3O/c1-6-2(4)3(5)7/h1H3,(H2,4,6)(H2,5,7)","InChI=1S/C3H7N3O/c1-6-3(5)7-2-4/h4H2,1H3,(H2,5,6)",81.83081,59.47518,
11745,[C:1](/[N:2]=[C:3](\[N:4]([H:11])[H:12])[C:5](=[O:6])[N:7]([H:13])[H:14])([H:8])([H:9])[H:10],[C:1](=[N:2][C@:3]([N:4]([H:11])[H:12])([C:5](=[O:6])[N:7]([H:13])[H:14])[H:9])([H:8])[H:10],"InChI=1S/C3H7N3O/c1-6-2(4)3(5)7/h1H3,(H2,4,6)(H2,5,7)","InChI=1S/C3H7N3O/c1-6-2(4)3(5)7/h2H,1,4H2,(H2,5,7)/t2-/m0/s1",76.67034,21.51689,
11746,[C:1](/[N:2]=[C:3](\[N:4]([H:11])[H:12])[C:5](=[O:6])[N:7]([H:13])[H:14])([H:8])([H:9])[H:10],[C:1]([N:2]=[C:3]=[N:4][H:12])([H:8])([H:9])[H:10].[C:5]([O:6][H:11])[N:7]([H:13])[H:14],"InChI=1S/C3H7N3O/c1-6-2(4)3(5)7/h1H3,(H2,4,6)(H2,5,7)","InChI=1S/C2H4N2.CH3NO/c1-4-2-3;2-1-3/h3H,1H3;3H,2H2",57.54446,69.83941999999999,
11747,[C:1](/[N:2]=[C:3](\[N:4]([H:11])[H:12])[C:5](=[O:6])[N:7]([H:13])[H:14])([H:8])([H:9])[H:10],[C:1]([N:4]([H:11])[H:12])([H:8])([H:9])[H:10].[N:2]#[C:3][C:5](=[O:6])[N:7]([H:13])[H:14],"InChI=1S/C3H7N3O/c1-6-2(4)3(5)7/h1H3,(H2,4,6)(H2,5,7)","InChI=1S/C2H2N2O.CH5N/c3-1-2(4)5;1-2/h(H2,4,5);2H2,1H3",83.225,29.037190000000002,
11748,[C:1](/[N:2]=[C:3](\[N:4]([H:11])[H:12])[C:5](=[O:6])[N:7]([H:13])[H:14])([H:8])([H:9])[H:10],[C:1]([N:2]([C:3]([N:4]([H:11])[H:12])=[C:5]=[O:6])[N:7]([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C3H7N3O/c1-6-2(4)3(5)7/h1H3,(H2,4,6)(H2,5,7)","InChI=1S/C3H7N3O/c1-6(5)3(4)2-7/h4-5H2,1H3",93.1115,74.65808,
11749,[C:1](/[N:2]=[C:3](\[N:4]([H:11])[H:12])[C:5](=[O:6])[N:7]([H:13])[H:14])([H:8])([H:9])[H:10],[C:1](=[N:2][C:3](=[N+:4]([H:11])[H:12])[C@:5]([O-:6])([N:7]([H:13])[H:14])[H:9])([H:8])[H:10],"InChI=1S/C3H7N3O/c1-6-2(4)3(5)7/h1H3,(H2,4,6)(H2,5,7)","InChI=1S/C3H6N3O/c1-6-2(4)3(5)7/h3-4H,1,5H2/q-1/p+1/t3-/m0/s1",64.26116,54.45678,
11750,[C:1](/[N:2]=[C:3](\[N:4]([H:11])[H:12])[C:5](=[O:6])[N:7]([H:13])[H:14])([H:8])([H:9])[H:10],[C:1](=[N+:2]([C:3]([N:4]([H:11])[H:12])=[C:5]([O-:6])[N:7]([H:13])[H:14])[H:9])([H:8])[H:10],"InChI=1S/C3H7N3O/c1-6-2(4)3(5)7/h1H3,(H2,4,6)(H2,5,7)","InChI=1S/C3H7N3O/c1-6-2(4)3(5)7/h7H,1,4-5H2",68.23021,32.84972,
11751,[C:1](/[N:2]=[C:3](\[N:4]([H:11])[H:12])[C:5](=[O:6])[N:7]([H:13])[H:14])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:12].[N:2](=[C:3]=[N:4][H:11])[C:5](=[O:6])[N:7]([H:13])[H:14],"InChI=1S/C3H7N3O/c1-6-2(4)3(5)7/h1H3,(H2,4,6)(H2,5,7)","InChI=1S/C2H3N3O.CH4/c3-1-5-2(4)6;/h3H,(H2,4,6);1H4",86.64895,9.41628,
11752,[C:1](/[N:2]=[C:3](\[N:4]([H:11])[H:12])[C:5](=[O:6])[N:7]([H:13])[H:14])([H:8])([H:9])[H:10],[C:1](=[N:2][C:3]([N+:4]([H:9])([H:11])[H:12])=[C:5]([O-:6])[N:7]([H:13])[H:14])([H:8])[H:10],"InChI=1S/C3H7N3O/c1-6-2(4)3(5)7/h1H3,(H2,4,6)(H2,5,7)","InChI=1S/C3H7N3O/c1-6-2(4)3(5)7/h7H,1,4-5H2",51.957640000000005,35.45176,
11753,[C:1](/[N:2]=[C:3](\[N:4]([H:11])[H:12])[C:5](=[O:6])[N:7]([H:13])[H:14])([H:8])([H:9])[H:10],[C:1](=[N:2]/[C:3](=[N:4]/[H:11])[C:5](=[O:6])[N:7]([H:13])[H:14])([H:8])[H:10].[H:9][H:12],"InChI=1S/C3H7N3O/c1-6-2(4)3(5)7/h1H3,(H2,4,6)(H2,5,7)","InChI=1S/C3H5N3O.H2/c1-6-2(4)3(5)7;/h4H,1H2,(H2,5,7);1H/b4-2+;",49.26423,35.86396,
11754,[C:1](/[N:2]=[C:3](\[N:4]([H:11])[H:12])[C:5](=[O:6])[N:7]([H:13])[H:14])([H:8])([H:9])[H:10],[C:1]([C:5](=[O:6])[N:7]([H:13])[H:14])([H:8])([H:9])[H:10].[N:2]#[C:3][N:4]([H:11])[H:12],"InChI=1S/C3H7N3O/c1-6-2(4)3(5)7/h1H3,(H2,4,6)(H2,5,7)","InChI=1S/C2H5NO.CH2N2/c1-2(3)4;2-1-3/h1H3,(H2,3,4);2H2",108.56213000000001,17.9294,
11755,[C:1](/[N:2]=[C:3](\[N:4]([H:11])[H:12])[C:5](=[O:6])[N:7]([H:13])[H:14])([H:8])([H:9])[H:10],[C:1]([N:2](/[C:3](=[N:4]/[H:12])[C:5](=[O:6])[N:7]([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C3H7N3O/c1-6-2(4)3(5)7/h1H3,(H2,4,6)(H2,5,7)","InChI=1S/C3H7N3O/c1-6-2(4)3(5)7/h1H3,(H2,4,6)(H2,5,7)",47.8107,8.920060000000001,
11756,[C:1](/[N:2]=[C:3](\[N:4]([H:11])[H:12])[C:5](=[O:6])[N:7]([H:13])[H:14])([H:8])([H:9])[H:10],[C:1]([N:2]([C:3](=[N:4]\[H:12])/[C:5]([O:6][H:11])=[N:7]/[H:14])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C3H7N3O/c1-6-2(4)3(5)7/h1H3,(H2,4,6)(H2,5,7)","InChI=1S/C3H7N3O/c1-6-2(4)3(5)7/h1H3,(H2,4,6)(H2,5,7)",32.88541,7.194560000000001,
11757,[C:1](/[N:2]=[C:3](\[N:4]([H:11])[H:12])[C:5](=[O:6])[N:7]([H:13])[H:14])([H:8])([H:9])[H:10],[C:1](/[C:3](=[N:2]/[C:5](=[O:6])[N:7]([H:13])[H:14])[N:4]([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C3H7N3O/c1-6-2(4)3(5)7/h1H3,(H2,4,6)(H2,5,7)","InChI=1S/C3H7N3O/c1-2(4)6-3(5)7/h1H3,(H4,4,5,6,7)",106.06936,-12.02622,
11758,[C:1](/[N:2]=[C:3](\[N:4]([H:11])[H:12])[C:5](=[O:6])[N:7]([H:13])[H:14])([H:8])([H:9])[H:10],[C:1](=[N:2][C:3](=[N+:4]([H:11])[H:12])[C:5](=[O:6])[N-:7][H:14])([H:8])[H:10].[H:9][H:13],"InChI=1S/C3H7N3O/c1-6-2(4)3(5)7/h1H3,(H2,4,6)(H2,5,7)","InChI=1S/C3H5N3O.H2/c1-6-2(4)3(5)7;/h4H,1H2,(H2,5,7);1H",59.618219999999994,56.104330000000004,
11759,[C:1]([C@@:2]([O:3][H:12])([C:4]([C:5](=[O:6])[N:7]([H:15])[H:16])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]([O:3][H:12])(/[C:4](=[C:5](/[O:6][H:14])[N:7]([H:15])[H:16])[H:13])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H9NO2/c1-3(6)2-4(5)7/h3,6H,2H2,1H3,(H2,5,7)/t3-/m1/s1","InChI=1S/C4H9NO2/c1-3(6)2-4(5)7/h2-3,6-7H,5H2,1H3/b4-2+/t3-/m1/s1",58.454330000000006,22.73846,ketoenol
11760,[C:1]([C@@:2]([O:3][H:12])([C:4]([C:5](=[O:6])[N:7]([H:15])[H:16])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2](=[O:3])[H:11])([C:4]([C:5](=[O:6])[N:7]([H:15])[H:16])([H:13])[H:14])([H:8])[H:10].[H:9][H:12],"InChI=1S/C4H9NO2/c1-3(6)2-4(5)7/h3,6H,2H2,1H3,(H2,5,7)/t3-/m1/s1","InChI=1S/C4H7NO2.H2/c5-4(7)2-1-3-6;/h3H,1-2H2,(H2,5,7);1H",82.41535,22.70751,
11761,[C:1]([C@@:2]([O:3][H:12])([C:4]([C:5](=[O:6])[N:7]([H:15])[H:16])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]1([H:8])([H:10])[C@@:2]([O:3][H:12])([H:11])[C:4]([H:13])([H:14])[C@@:5]1([O:6][H:9])[N:7]([H:15])[H:16],"InChI=1S/C4H9NO2/c1-3(6)2-4(5)7/h3,6H,2H2,1H3,(H2,5,7)/t3-/m1/s1","InChI=1S/C4H9NO2/c5-4(7)1-3(6)2-4/h3,6-7H,1-2,5H2/t3-,4+",80.54863,34.54684,
11762,[C:1]([C@@:2]([O:3][H:12])([C:4]([C:5](=[O:6])[N:7]([H:15])[H:16])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]([O:3][H:12])([O:6][C:5](=[C:4]([H:13])[H:14])[N:7]([H:15])[H:16])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H9NO2/c1-3(6)2-4(5)7/h3,6H,2H2,1H3,(H2,5,7)/t3-/m1/s1","InChI=1S/C4H9NO2/c1-3(5)7-4(2)6/h4,6H,1,5H2,2H3/t4-/m0/s1",72.31437,28.978340000000003,ketoenol
11763,[C:1]([C@@:2]([O:3][H:12])([C:4]([C:5](=[O:6])[N:7]([H:15])[H:16])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]([O:3][H:12])([C:4](/[C:5]([O:6][H:16])=[N:7]\[H:15])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H9NO2/c1-3(6)2-4(5)7/h3,6H,2H2,1H3,(H2,5,7)/t3-/m1/s1","InChI=1S/C4H9NO2/c1-3(6)2-4(5)7/h3,6H,2H2,1H3,(H2,5,7)/t3-/m1/s1",41.24442,10.56674,ketoenol
11764,[C:1]([C@@:2]([O:3][H:12])([C:4]([C:5](=[O:6])[N:7]([H:15])[H:16])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]([O:3][H:12])([C:4]([O+:6]=[C-:5][N:7]([H:15])[H:16])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H9NO2/c1-3(6)2-4(5)7/h3,6H,2H2,1H3,(H2,5,7)/t3-/m1/s1","InChI=1S/C4H9NO2/c1-4(6)2-7-3-5/h4,6H,2,5H2,1H3/t4-/m1/s1",102.09347,58.02077,
11765,[C:1]([C@@:2]([O:3][H:12])([C:4]([C:5](=[O:6])[N:7]([H:15])[H:16])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([O:3][H:12])([C:4]([H:13])([H:14])[H:15])[H:11])([H:8])([H:9])[H:10].[C:5](=[O:6])=[N:7][H:16],"InChI=1S/C4H9NO2/c1-3(6)2-4(5)7/h3,6H,2H2,1H3,(H2,5,7)/t3-/m1/s1","InChI=1S/C3H8O.CHNO/c1-3(2)4;2-1-3/h3-4H,1-2H3;2H",74.63028,12.81892,
11766,[C:1]([C@@:2]([O:3][H:12])([C:4]([C:5](=[O:6])[N:7]([H:15])[H:16])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2](=[O:3])[C:4]([C:5](=[O:6])[N:7]([H:15])[H:16])([H:13])[H:14])([H:8])([H:9])[H:10].[H:11][H:12],"InChI=1S/C4H9NO2/c1-3(6)2-4(5)7/h3,6H,2H2,1H3,(H2,5,7)/t3-/m1/s1","InChI=1S/C4H7NO2.H2/c1-3(6)2-4(5)7;/h2H2,1H3,(H2,5,7);1H",74.58414,13.6014,
11767,[C:1]([C@@:2]([O:3][H:12])([C:4]([C:5](=[O:6])[N:7]([H:15])[H:16])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:12].[C:2](=[O:3])([C:4]([C:5](=[O:6])[N:7]([H:15])[H:16])([H:13])[H:14])[H:11],"InChI=1S/C4H9NO2/c1-3(6)2-4(5)7/h3,6H,2H2,1H3,(H2,5,7)/t3-/m1/s1","InChI=1S/C3H5NO2.CH4/c4-3(6)1-2-5;/h2H,1H2,(H2,4,6);1H4",75.22896,8.028260000000001,
11768,[C:1]([C@@:2]([O:3][H:12])([C:4]([C:5](=[O:6])[N:7]([H:15])[H:16])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:4]([H:13])[H:14])[H:11])([H:8])([H:9])[H:10].[C:5](=[O:6])=[N:7][H:16].[O:3]([H:12])[H:15],"InChI=1S/C4H9NO2/c1-3(6)2-4(5)7/h3,6H,2H2,1H3,(H2,5,7)/t3-/m1/s1","InChI=1S/C3H6.CHNO.H2O/c1-3-2;2-1-3;/h3H,1H2,2H3;2H;1H2",49.06038,26.288659999999997,
11769,[C:1]([C@@:2]([O:3][H:12])([C:4]([C:5](=[O:6])[N:7]([H:15])[H:16])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([O:3][H:12])=[C:4]([H:13])[H:14])([H:8])([H:9])[H:10].[C:5](=[O:6])=[N:7][H:15].[H:11][H:16],"InChI=1S/C4H9NO2/c1-3(6)2-4(5)7/h3,6H,2H2,1H3,(H2,5,7)/t3-/m1/s1","InChI=1S/C3H6O.CHNO.H2/c1-3(2)4;2-1-3;/h4H,1H2,2H3;2H;1H",69.45222,37.187020000000004,
11770,[C:1]([C@@:2]([O:3][H:12])([C:4]([C:5](=[O:6])[N:7]([H:15])[H:16])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]([O:3][H:12])([C:4](=[C:5]=[O:6])[H:13])[H:11])([H:8])([H:9])[H:10].[N:7]([H:14])([H:15])[H:16],"InChI=1S/C4H9NO2/c1-3(6)2-4(5)7/h3,6H,2H2,1H3,(H2,5,7)/t3-/m1/s1","InChI=1S/C4H6O2.H3N/c1-4(6)2-3-5;/h2,4,6H,1H3;1H3/t4-;/m1./s1",71.98012,38.21118,"1,3_NH3_elimination"
11771,[C:1]([C@@:2]([O:3][H:12])([C:4]([C:5](=[O:6])[N:7]([H:15])[H:16])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C:4]([C:2](=[O:3])[H:11])([H:13])[H:14])([H:8])([H:9])[H:10].[C:5](=[O:6])([N:7]([H:15])[H:16])[H:12],"InChI=1S/C4H9NO2/c1-3(6)2-4(5)7/h3,6H,2H2,1H3,(H2,5,7)/t3-/m1/s1","InChI=1S/C3H6O.CH3NO/c1-2-3-4;2-1-3/h3H,2H2,1H3;1H,(H2,2,3)",83.30176,18.73237,
11772,[C:1]([C@@:2]([O:3][H:12])([C:4]([C:5](=[O:6])[N:7]([H:15])[H:16])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[O:3][C@@:5]([O:6][H:12])([N:7]([H:15])[H:16])[C:4]1([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C4H9NO2/c1-3(6)2-4(5)7/h3,6H,2H2,1H3,(H2,5,7)/t3-/m1/s1","InChI=1S/C4H9NO2/c1-3-2-4(5,6)7-3/h3,6H,2,5H2,1H3/t3-,4-/m1/s1",43.23346,27.087509999999998,
11773,[C:1]([C@@:2]([O:3][H:12])([C:4]([C:5](=[O:6])[N:7]([H:15])[H:16])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([O:3][H:12])[C:4]([H:13])([H:14])[C@:5]1([O:6][H:11])[N:7]([H:15])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C4H9NO2/c1-3(6)2-4(5)7/h3,6H,2H2,1H3,(H2,5,7)/t3-/m1/s1","InChI=1S/C4H9NO2/c1-3(6)2-4(3,5)7/h6-7H,2,5H2,1H3/t3-,4-/m1/s1",82.43433,35.74188,
11774,[C:1]([C@@:2]([O:3][H:12])([C:4]([C:5](=[O:6])[N:7]([H:15])[H:16])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]1([H:8])([H:10])[C@:2]([O:3][H:12])([H:11])[C:4]([H:13])([H:14])[C@:5]([N:7]([H:15])[H:16])([H:9])[O:6]1,"InChI=1S/C4H9NO2/c1-3(6)2-4(5)7/h3,6H,2H2,1H3,(H2,5,7)/t3-/m1/s1","InChI=1S/C4H9NO2/c5-4-1-3(6)2-7-4/h3-4,6H,1-2,5H2/t3-,4-/m0/s1",95.32853,23.36978,
11775,[C:1]([C@@:2]([O:3][H:12])([C:4]([C:5](=[O:6])[N:7]([H:15])[H:16])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C-:2](=[O+:3][H:12])[C:4]([C:5](=[O:6])[N:7]([H:15])[H:16])([H:13])[H:14].[C:1]([H:8])([H:9])([H:10])[H:11],"InChI=1S/C4H9NO2/c1-3(6)2-4(5)7/h3,6H,2H2,1H3,(H2,5,7)/t3-/m1/s1","InChI=1S/C3H5NO2.CH4/c4-3(6)1-2-5;/h5H,1H2,(H2,4,6);1H4",74.53458,63.03593000000001,
11776,[C:1]([C@@:2]([O:3][H:12])([C:4]([C:5](=[O:6])[N:7]([H:15])[H:16])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]([O:3][H:12])([C@@:4]1([H:13])/[C:5](=[N:7]/[H:15])[O:6]1)[H:11])([H:8])([H:9])[H:10].[H:14][H:16],"InChI=1S/C4H9NO2/c1-3(6)2-4(5)7/h3,6H,2H2,1H3,(H2,5,7)/t3-/m1/s1","InChI=1S/C4H7NO2.H2/c1-2(6)3-4(5)7-3;/h2-3,5-6H,1H3;1H/b5-4-;/t2-,3+;/m1./s1",89.88223,66.19124000000001,
11777,[C:1]([C@@:2]([O:3][H:12])([C:4]([C:5](=[O:6])[N:7]([H:15])[H:16])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C@:2]1([H:11])[C:4]([H:13])([H:14])[C@@:5]1([O:6][O:3][H:12])[N:7]([H:15])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C4H9NO2/c1-3(6)2-4(5)7/h3,6H,2H2,1H3,(H2,5,7)/t3-/m1/s1","InChI=1S/C4H9NO2/c1-3-2-4(3,5)7-6/h3,6H,2,5H2,1H3/t3-,4+/m1/s1",103.18585,92.98454,
11778,[N:1]([C:2](=[O:3])[N:4]([C:5]([C:6]([O:7][H:15])([H:13])[H:14])([H:11])[H:12])[H:10])([H:8])[H:9],[N:1]([C@@:2]1([O:3][H:15])[N:4]([H:10])[C:5]([H:11])([H:12])[C:6]([H:13])([H:14])[O:7]1)([H:8])[H:9],"InChI=1S/C3H8N2O2/c4-3(7)5-1-2-6/h6H,1-2H2,(H3,4,5,7)","InChI=1S/C3H8N2O2/c4-3(6)5-1-2-7-3/h5-6H,1-2,4H2/t3-/m0/s1",35.72189,23.05847,
11779,[N:1]([C:2](=[O:3])[N:4]([C:5]([C:6]([O:7][H:15])([H:13])[H:14])([H:11])[H:12])[H:10])([H:8])[H:9],[C:6]([O:7][H:15])([H:8])([H:13])[H:14].[N:1](=[C:2]=[O:3])[H:9].[N:4](=[C:5]([H:11])[H:12])[H:10],"InChI=1S/C3H8N2O2/c4-3(7)5-1-2-6/h6H,1-2H2,(H3,4,5,7)","InChI=1S/CHNO.CH3N.CH4O/c2-1-3;2*1-2/h2H;2H,1H2;2H,1H3",68.68165,42.406220000000005,
11780,[N:1]([C:2](=[O:3])[N:4]([C:5]([C:6]([O:7][H:15])([H:13])[H:14])([H:11])[H:12])[H:10])([H:8])[H:9],[C:6](=[O:7])([H:13])[H:14].[N:1]([C:2](=[O:3])[N:4]([C:5]([H:11])([H:12])[H:15])[H:10])([H:8])[H:9],"InChI=1S/C3H8N2O2/c4-3(7)5-1-2-6/h6H,1-2H2,(H3,4,5,7)","InChI=1S/C2H6N2O.CH2O/c1-4-2(3)5;1-2/h1H3,(H3,3,4,5);1H2",63.80137,21.33393,
11781,[N:1]([C:2](=[O:3])[N:4]([C:5]([C:6]([O:7][H:15])([H:13])[H:14])([H:11])[H:12])[H:10])([H:8])[H:9],[N:1]([C:2](=[O:3])[C:6]([O:7][H:15])([H:13])[H:14])([H:8])[H:9].[N:4](=[C:5]([H:11])[H:12])[H:10],"InChI=1S/C3H8N2O2/c4-3(7)5-1-2-6/h6H,1-2H2,(H3,4,5,7)","InChI=1S/C2H5NO2.CH3N/c3-2(5)1-4;1-2/h4H,1H2,(H2,3,5);2H,1H2",91.09566,26.850590000000004,
11782,[N:1]([C:2](=[O:3])[N:4]([C:5]([C:6]([O:7][H:15])([H:13])[H:14])([H:11])[H:12])[H:10])([H:8])[H:9],[N:1](/[C:2]([O:3][H:10])=[N:4]\[C:5]([C:6]([O:7][H:15])([H:13])[H:14])([H:11])[H:12])([H:8])[H:9],"InChI=1S/C3H8N2O2/c4-3(7)5-1-2-6/h6H,1-2H2,(H3,4,5,7)","InChI=1S/C3H8N2O2/c4-3(7)5-1-2-6/h6H,1-2H2,(H3,4,5,7)",39.559090000000005,17.61555,ketoenol
11783,[N:1]([C:2](=[O:3])[N:4]([C:5]([C:6]([O:7][H:15])([H:13])[H:14])([H:11])[H:12])[H:10])([H:8])[H:9],[N:1]([C:2](=[O:3])[H:11])([H:8])[H:9].[N:4](=[C:5](\[C:6]([O:7][H:15])([H:13])[H:14])[H:12])\[H:10],"InChI=1S/C3H8N2O2/c4-3(7)5-1-2-6/h6H,1-2H2,(H3,4,5,7)","InChI=1S/C2H5NO.CH3NO/c3-1-2-4;2-1-3/h1,3-4H,2H2;1H,(H2,2,3)/b3-1-;",92.8235,30.575770000000002,
11784,[N:1]([C:2](=[O:3])[N:4]([C:5]([C:6]([O:7][H:15])([H:13])[H:14])([H:11])[H:12])[H:10])([H:8])[H:9],[C:6](=[O:7])([H:13])[H:14].[N:1]([C@:2]1([O:3][H:15])[N:4]([H:10])[C:5]1([H:11])[H:12])([H:8])[H:9],"InChI=1S/C3H8N2O2/c4-3(7)5-1-2-6/h6H,1-2H2,(H3,4,5,7)","InChI=1S/C2H6N2O.CH2O/c3-2(5)1-4-2;1-2/h4-5H,1,3H2;1H2/t2-;/m0./s1",75.17418,65.99937,
11785,[N:1]([C:2](=[O:3])[N:4]([C:5]([C:6]([O:7][H:15])([H:13])[H:14])([H:11])[H:12])[H:10])([H:8])[H:9],[N:1](=[C:2](/[O:3][H:9])[N:4]([C:5]([C:6]([O:7][H:15])([H:13])[H:14])([H:11])[H:12])[H:10])\[H:8],"InChI=1S/C3H8N2O2/c4-3(7)5-1-2-6/h6H,1-2H2,(H3,4,5,7)","InChI=1S/C3H8N2O2/c4-3(7)5-1-2-6/h6H,1-2H2,(H3,4,5,7)",41.83017,15.648779999999999,ketoenol
11786,[N:1]([C:2](=[O:3])[N:4]([C:5]([C:6]([O:7][H:15])([H:13])[H:14])([H:11])[H:12])[H:10])([H:8])[H:9],[N:1](=[C:2]=[O:3])[H:9].[N:4]([C:5]([C:6]([O:7][H:15])([H:13])[H:14])([H:11])[H:12])([H:8])[H:10],"InChI=1S/C3H8N2O2/c4-3(7)5-1-2-6/h6H,1-2H2,(H3,4,5,7)","InChI=1S/C2H7NO.CHNO/c3-1-2-4;2-1-3/h4H,1-3H2;2H",42.14593,19.536929999999998,
11787,[N:1]([C:2](=[O:3])[N:4]([C:5]([C:6]([O:7][H:15])([H:13])[H:14])([H:11])[H:12])[H:10])([H:8])[H:9],[N:1]([C:2]([O:3][C:5]([C:6]([O:7][H:15])([H:13])[H:14])([H:11])[H:12])=[N:4][H:10])([H:8])[H:9],"InChI=1S/C3H8N2O2/c4-3(7)5-1-2-6/h6H,1-2H2,(H3,4,5,7)","InChI=1S/C3H8N2O2/c4-3(5)7-2-1-6/h6H,1-2H2,(H3,4,5)",63.23887,20.67931,ketoenol
11788,[N:1]([C:2](=[O:3])[N:4]([C:5]([C:6]([O:7][H:15])([H:13])[H:14])([H:11])[H:12])[H:10])([H:8])[H:9],[C:5]([C:6](=[O:7])[H:13])([H:11])([H:12])[H:14].[N:1]([C+:2]([O:3][H:15])[N-:4][H:10])([H:8])[H:9],"InChI=1S/C3H8N2O2/c4-3(7)5-1-2-6/h6H,1-2H2,(H3,4,5,7)","InChI=1S/C2H4O.CH4N2O/c1-2-3;2-1(3)4/h2H,1H3;2,4H,3H2",55.21771,21.52336,
11789,[N:1]([C:2](=[O:3])[N:4]([C:5]([C:6]([O:7][H:15])([H:13])[H:14])([H:11])[H:12])[H:10])([H:8])[H:9],[C:6](=[O:7])([H:13])[H:14].[N:1]([C:2](=[O:3])[H:15])([H:8])[H:9].[N:4](=[C:5]([H:11])[H:12])[H:10],"InChI=1S/C3H8N2O2/c4-3(7)5-1-2-6/h6H,1-2H2,(H3,4,5,7)","InChI=1S/CH3NO.CH3N.CH2O/c2-1-3;2*1-2/h1H,(H2,2,3);2H,1H2;1H2",77.60576999999999,49.92006,
11790,[N:1]([C:2](=[O:3])[N:4]([C:5]([C:6]([O:7][H:15])([H:13])[H:14])([H:11])[H:12])[H:10])([H:8])[H:9],[N:1]([C:2](=[O+:3][C:6]([O:7][H:15])([H:13])[H:14])[N:4]([C-:5]([H:11])[H:12])[H:10])([H:8])[H:9],"InChI=1S/C3H8N2O2/c4-3(7)5-1-2-6/h6H,1-2H2,(H3,4,5,7)","InChI=1S/C3H8N2O2/c1-5-3(4)7-2-6/h5-6H,1-2,4H2",83.64536,74.56813000000001,
11791,[N:1]([C:2](=[O:3])[N:4]([C:5]([C:6]([O:7][H:15])([H:13])[H:14])([H:11])[H:12])[H:10])([H:8])[H:9],[N:1]([C:2](=[O:3])[N:4]([C:5](=[C:6]([H:13])[H:14])[H:12])[H:10])([H:8])[H:9].[O:7]([H:11])[H:15],"InChI=1S/C3H8N2O2/c4-3(7)5-1-2-6/h6H,1-2H2,(H3,4,5,7)","InChI=1S/C3H6N2O.H2O/c1-2-5-3(4)6;/h2H,1H2,(H3,4,5,6);1H2",64.40608,9.48219,"1,3_Insertion_ROR"
11792,[N:1]([C:2](=[O:3])[N:4]([C:5]([C:6]([O:7][H:15])([H:13])[H:14])([H:11])[H:12])[H:10])([H:8])[H:9],[C:5]1([H:11])([H:12])[C:6]([H:13])([H:14])[O:7]1.[N:1]([C+:2]([O:3][H:15])[N-:4][H:10])([H:8])[H:9],"InChI=1S/C3H8N2O2/c4-3(7)5-1-2-6/h6H,1-2H2,(H3,4,5,7)","InChI=1S/C2H4O.CH4N2O/c1-2-3-1;2-1(3)4/h1-2H2;2,4H,3H2",70.81318,49.01979,
11793,[N:1]([C:2](=[O:3])[N:4]([C:5]([C:6]([O:7][H:15])([H:13])[H:14])([H:11])[H:12])[H:10])([H:8])[H:9],[C:6](=[O:7])([H:13])[H:14].[N:1]([C@:2]([O:3][H:15])([N:4]=[C:5]([H:11])[H:12])[H:10])([H:8])[H:9],"InChI=1S/C3H8N2O2/c4-3(7)5-1-2-6/h6H,1-2H2,(H3,4,5,7)","InChI=1S/C2H6N2O.CH2O/c1-4-2(3)5;1-2/h2,5H,1,3H2;1H2/t2-;/m0./s1",94.52756,54.63693000000001,
11794,[N:1]([C:2](=[O:3])[N:4]([C:5]([C:6]([O:7][H:15])([H:13])[H:14])([H:11])[H:12])[H:10])([H:8])[H:9],[N:1]([C@@:2]([O:3][H:15])([N:4]([C:5]([H:11])([H:12])[H:14])[H:10])[C:6](=[O:7])[H:13])([H:8])[H:9],"InChI=1S/C3H8N2O2/c4-3(7)5-1-2-6/h6H,1-2H2,(H3,4,5,7)","InChI=1S/C3H8N2O2/c1-5-3(4,7)2-6/h2,5,7H,4H2,1H3/t3-/m1/s1",106.92866000000001,25.30596,
11795,[N:1]([C:2](=[O:3])[N:4]([C:5]([C:6]([O:7][H:15])([H:13])[H:14])([H:11])[H:12])[H:10])([H:8])[H:9],[C:6](=[O:7])([H:13])[H:14].[N:1](/[C:2]([O:3][H:15])=[N:4]/[C:5]([H:10])([H:11])[H:12])([H:8])[H:9],"InChI=1S/C3H8N2O2/c4-3(7)5-1-2-6/h6H,1-2H2,(H3,4,5,7)","InChI=1S/C2H6N2O.CH2O/c1-4-2(3)5;1-2/h1H3,(H3,3,4,5);1H2",90.48116999999999,35.501540000000006,
11796,[N:1]([C:2](=[O:3])[N:4]([C:5]([C:6]([O:7][H:15])([H:13])[H:14])([H:11])[H:12])[H:10])([H:8])[H:9],[C:2]1(=[O:3])[N:4]([H:10])[C:5]([H:11])([H:12])[C:6]([H:13])([H:14])[O:7]1.[N:1]([H:8])([H:9])[H:15],"InChI=1S/C3H8N2O2/c4-3(7)5-1-2-6/h6H,1-2H2,(H3,4,5,7)","InChI=1S/C3H5NO2.H3N/c5-3-4-1-2-6-3;/h1-2H2,(H,4,5);1H3",46.3483,10.58561,
11797,[O:1]=[C:2]([c:3]1[n:4][o:5][c:6]([H:9])[c:7]1[H:10])[H:8],[C:6](#[C:7][H:10])[H:9].[O-:1][C:2](=[C:3]=[N+:4]=[O:5])[H:8],InChI=1S/C4H3NO2/c6-3-4-1-2-7-5-4/h1-3H,InChI=1S/C2HNO2.C2H2/c4-2-1-3-5;1-2/h2H;1-2H,76.02359,76.81105,
11798,[O:1]=[C:2]([c:3]1[n:4][o:5][c:6]([H:9])[c:7]1[H:10])[H:8],[O:1]=[C:2]([C:3]([N:4]=[O:5])=[C:7]=[C:6]([H:9])[H:10])[H:8],InChI=1S/C4H3NO2/c6-3-4-1-2-7-5-4/h1-3H,"InChI=1S/C4H3NO2/c1-2-4(3-6)5-7/h3H,1H2",78.7464,56.467530000000004,
11799,[O:1]=[C:2]([c:3]1[n:4][o:5][c:6]([H:9])[c:7]1[H:10])[H:8],[O:1]=[C:2]([C:3]1=[N:4][C@:7]1([C:6](=[O:5])[H:9])[H:10])[H:8],InChI=1S/C4H3NO2/c6-3-4-1-2-7-5-4/h1-3H,InChI=1S/C4H3NO2/c6-1-3-4(2-7)5-3/h1-3H/t3-/m0/s1,48.816520000000004,21.43007,ketoenol
11800,[O:1]=[C:2]([c:3]1[n:4][o:5][c:6]([H:9])[c:7]1[H:10])[H:8],[O+:1]#[C:2][C:3]([N-:4][H:8])=[C:7]([C:6](=[O:5])[H:9])[H:10],InChI=1S/C4H3NO2/c6-3-4-1-2-7-5-4/h1-3H,"InChI=1S/C4H3NO2/c5-4(3-7)1-2-6/h1-2H,(H-,5,6)",57.83775,12.82605,
11801,[O:1]=[C:2]([c:3]1[n:4][o:5][c:6]([H:9])[c:7]1[H:10])[H:8],[O:1]([C+:2]=[C:3]1[N-:4][O:5][C:6]([H:9])=[C:7]1[H:10])[H:8],InChI=1S/C4H3NO2/c6-3-4-1-2-7-5-4/h1-3H,"InChI=1S/C4H3NO2/c6-3-4-1-2-7-5-4/h1-2,6H",82.22775,52.197959999999995,
11802,[O:1]=[C:2]([c:3]1[n:4][o:5][c:6]([H:9])[c:7]1[H:10])[H:8],[O:1]=[C:2]([N:4]=[C:3]=[C:7]([C:6](=[O:5])[H:9])[H:10])[H:8],InChI=1S/C4H3NO2/c6-3-4-1-2-7-5-4/h1-3H,"InChI=1S/C4H3NO2/c6-3-1-2-5-4-7/h1,3-4H",40.943000000000005,-6.894019999999999,
11803,[O:1]=[C:2]([c:3]1[n:4][o:5][c:6]([H:9])[c:7]1[H:10])[H:8],[O:1]=[C:2]([C:7]([C:3]#[N:4])([C:6](=[O:5])[H:9])[H:10])[H:8],InChI=1S/C4H3NO2/c6-3-4-1-2-7-5-4/h1-3H,InChI=1S/C4H3NO2/c5-1-4(2-6)3-7/h2-4H,40.95134,-11.52719,
11804,[O:1]=[C:2]([c:3]1[n:4][o:5][c:6]([H:9])[c:7]1[H:10])[H:8],[O:1]=[N:4][C:3]1=[C:2]([H:8])[C@@:7]1([C:6](=[O:5])[H:9])[H:10],InChI=1S/C4H3NO2/c6-3-4-1-2-7-5-4/h1-3H,InChI=1S/C4H3NO2/c6-2-3-1-4(3)5-7/h1-3H/t3-/m1/s1,115.91416000000001,80.89386,
11805,[O:1]=[C:2]([c:3]1[n:4][o:5][c:6]([H:9])[c:7]1[H:10])[H:8],[o:1]1[c:2]([H:8])[c:3]([N:4]=[O:5])[c:7]([H:10])[c:6]1[H:9],InChI=1S/C4H3NO2/c6-3-4-1-2-7-5-4/h1-3H,InChI=1S/C4H3NO2/c6-5-4-1-2-7-3-4/h1-3H,81.64405,28.11232,
11806,[O:1]=[C:2]([c:3]1[n:4][o:5][c:6]([H:9])[c:7]1[H:10])[H:8],[O+:1]#[C-:2].[c:3]1([H:8])[n:4][o:5][c:6]([H:9])[c:7]1[H:10],InChI=1S/C4H3NO2/c6-3-4-1-2-7-5-4/h1-3H,InChI=1S/C3H3NO.CO/c1-2-4-5-3-1;1-2/h1-3H;,77.95846,1.86412,"1,2_Insertion_CO"
11807,[O:1]=[C:2]([c:3]1[n:4][o:5][c:6]([H:9])[c:7]1[H:10])[H:8],[O:1]=[C:2]([C:3]1([N:4]=[O:5])[C:6]([H:9])=[C:7]1[H:10])[H:8],InChI=1S/C4H3NO2/c6-3-4-1-2-7-5-4/h1-3H,InChI=1S/C4H3NO2/c6-3-4(5-7)1-2-4/h1-3H,84.98326,77.16538,ketoenol
11808,[O:1]=[C:2]([c:3]1[n:4][o:5][c:6]([H:9])[c:7]1[H:10])[H:8],[N:4]=[O:5].[O:1][C:2](=[C:3]([C:7]#[C:6][H:9])[H:10])[H:8],InChI=1S/C4H3NO2/c6-3-4-1-2-7-5-4/h1-3H,"InChI=1S/C4H3O.NO/c1-2-3-4-5;1-2/h1,3-4H;",96.73458000000001,84.1616,ketoenol
11809,[O:1]=[C:2]([c:3]1[n:4][o:5][c:6]([H:9])[c:7]1[H:10])[H:8],[O:1]=[C:2](/[N:4]=[C:3]1/[O:5][C:6]([H:9])=[C:7]1[H:10])[H:8],InChI=1S/C4H3NO2/c6-3-4-1-2-7-5-4/h1-3H,InChI=1S/C4H3NO2/c6-3-5-4-1-2-7-4/h1-3H/b5-4+,40.9446,13.63999,
11810,[O:1]=[C:2]([c:3]1[n:4][o:5][c:6]([H:9])[c:7]1[H:10])[H:8],[O+:1]#[C:2][C:3]1=[C:7]([H:10])[C:6]([H:8])([H:9])[O:5][N-:4]1,InChI=1S/C4H3NO2/c6-3-4-1-2-7-5-4/h1-3H,"InChI=1S/C4H3NO2/c6-3-4-1-2-7-5-4/h1H,2H2",117.10743000000001,56.30215,
11811,[O:1]=[C:2]([c:3]1[n:4][o:5][c:6]([H:9])[c:7]1[H:10])[H:8],[O+:1](=[C-:2][H:8])[c:3]1[n:4][o:5][c:6]([H:9])[c:7]1[H:10],InChI=1S/C4H3NO2/c6-3-4-1-2-7-5-4/h1-3H,InChI=1S/C4H3NO2/c1-6-4-2-3-7-5-4/h1-3H,94.82601,77.12422,
11812,[O:1]=[C:2]([c:3]1[n:4][o:5][c:6]([H:9])[c:7]1[H:10])[H:8],[C:3](=[N:4][H:8])=[C:7]([C:6](=[O:5])[H:9])[H:10].[O+:1]#[C-:2],InChI=1S/C4H3NO2/c6-3-4-1-2-7-5-4/h1-3H,"InChI=1S/C3H3NO.CO/c4-2-1-3-5;1-2/h1,3-4H;",57.84782,-7.64165,
11813,[O:1]=[C:2]([C@@:3]1([H:9])[O:4][C@@:5]2([H:10])[C:6]([H:11])([H:12])[C@@:7]12[H:13])[H:8],[O:1](/[C:2](=[C:3]1/[O:4][C@@:5]2([H:10])[C:6]([H:11])([H:12])[C@@:7]12[H:13])[H:8])[H:9],"InChI=1S/C5H6O2/c6-2-5-3-1-4(3)7-5/h2-5H,1H2/t3-,4+,5-/m1/s1","InChI=1S/C5H6O2/c6-2-5-3-1-4(3)7-5/h2-4,6H,1H2/b5-2+/t3-,4+/m1/s1",62.49006,4.53443,ketoenol
11814,[O:1]=[C:2]([C@@:3]1([H:9])[O:4][C@@:5]2([H:10])[C:6]([H:11])([H:12])[C@@:7]12[H:13])[H:8],[O:1]=[C:2]([C@@:3]1([H:9])[O:4][C:5]([H:10])=[C:6]([H:11])[C:7]1([H:12])[H:13])[H:8],"InChI=1S/C5H6O2/c6-2-5-3-1-4(3)7-5/h2-5H,1H2/t3-,4+,5-/m1/s1","InChI=1S/C5H6O2/c6-4-5-2-1-3-7-5/h1,3-5H,2H2/t5-/m0/s1",61.604209999999995,-34.88897,
11815,[O:1]=[C:2]([C@@:3]1([H:9])[O:4][C@@:5]2([H:10])[C:6]([H:11])([H:12])[C@@:7]12[H:13])[H:8],[O-:1][C:2](=[C:3]1[O+:4]=[C:5]([H:10])[C:6]([H:11])([H:12])[C:7]1([H:9])[H:13])[H:8],"InChI=1S/C5H6O2/c6-2-5-3-1-4(3)7-5/h2-5H,1H2/t3-,4+,5-/m1/s1","InChI=1S/C5H6O2/c6-4-5-2-1-3-7-5/h3-4H,1-2H2",50.159620000000004,-10.90623,
11816,[O:1]=[C:2]([C@@:3]1([H:9])[O:4][C@@:5]2([H:10])[C:6]([H:11])([H:12])[C@@:7]12[H:13])[H:8],[O:1]=[C:2]([C@@:7]1([H:13])[C@@:3]2([H:9])[O:4][C@@:5]2([H:10])[C:6]1([H:11])[H:12])[H:8],"InChI=1S/C5H6O2/c6-2-5-3-1-4(3)7-5/h2-5H,1H2/t3-,4+,5-/m1/s1","InChI=1S/C5H6O2/c6-2-3-1-4-5(3)7-4/h2-5H,1H2/t3-,4-,5+/m0/s1",54.0409,-5.77931,
11817,[O:1]=[C:2]([C@@:3]1([H:9])[O:4][C@@:5]2([H:10])[C:6]([H:11])([H:12])[C@@:7]12[H:13])[H:8],[O:1]=[C:2]([C@@:3]1([H:9])[O:4][C@:7]1([C:6]([C:5][H:10])([H:11])[H:12])[H:13])[H:8],"InChI=1S/C5H6O2/c6-2-5-3-1-4(3)7-5/h2-5H,1H2/t3-,4+,5-/m1/s1","InChI=1S/C5H6O2/c1-2-4-5(3-6)7-4/h1,3-5H,2H2/t4-,5+/m0/s1",73.67605999999999,69.84263,
11818,[O:1]=[C:2]([C@@:3]1([H:9])[O:4][C@@:5]2([H:10])[C:6]([H:11])([H:12])[C@@:7]12[H:13])[H:8],[O:1]=[C:2]([C@@:3]1([H:9])[O:4][C@:5]([C:6][H:12])([H:10])[C:7]1([H:11])[H:13])[H:8],"InChI=1S/C5H6O2/c6-2-5-3-1-4(3)7-5/h2-5H,1H2/t3-,4+,5-/m1/s1","InChI=1S/C5H6O2/c1-4-2-5(3-6)7-4/h1,3-5H,2H2/t4-,5-/m0/s1",62.79861,61.552519999999994,
11819,[O:1]=[C:2]([C@@:3]1([H:9])[O:4][C@@:5]2([H:10])[C:6]([H:11])([H:12])[C@@:7]12[H:13])[H:8],[O:1]=[C:2]([C:6]([C:7]1([H:13])[C-:3]([H:9])[O+:4]=[C:5]1[H:10])([H:11])[H:12])[H:8],"InChI=1S/C5H6O2/c6-2-5-3-1-4(3)7-5/h2-5H,1H2/t3-,4+,5-/m1/s1","InChI=1S/C5H6O2/c6-2-1-5-3-7-4-5/h2-5H,1H2",57.896,35.402359999999994,
11820,[O:1]=[C:2]([C@@:3]1([H:9])[O:4][C@@:5]2([H:10])[C:6]([H:11])([H:12])[C@@:7]12[H:13])[H:8],[H:8][H:9].[O:1]=[C:2]=[C:3]1[O:4][C@@:5]2([H:10])[C:6]([H:11])([H:12])[C@@:7]12[H:13],"InChI=1S/C5H6O2/c6-2-5-3-1-4(3)7-5/h2-5H,1H2/t3-,4+,5-/m1/s1","InChI=1S/C5H4O2.H2/c6-2-5-3-1-4(3)7-5;/h3-4H,1H2;1H/t3-,4+;/m1./s1",68.83046,37.14671,
11821,[O:1]=[C:2]([C@@:3]1([H:9])[O:4][C@@:5]2([H:10])[C:6]([H:11])([H:12])[C@@:7]12[H:13])[H:8],[C:3]1([H:9])=[C:7]([H:13])[C@@:5]([C:6]([H:8])([H:11])[H:12])([H:10])[O:4]1.[O+:1]#[C-:2],"InChI=1S/C5H6O2/c6-2-5-3-1-4(3)7-5/h2-5H,1H2/t3-,4+,5-/m1/s1","InChI=1S/C4H6O.CO/c1-4-2-3-5-4;1-2/h2-4H,1H3;/t4-;/m0./s1",49.49973,-14.84179,
11822,[O:1]=[C:2]([C@@:3]1([H:9])[O:4][C@@:5]2([H:10])[C:6]([H:11])([H:12])[C@@:7]12[H:13])[H:8],[O:1]1[C:2]([H:8])([H:9])[C@@:3]12[O:4][C@@:5]1([H:10])[C:6]([H:11])([H:12])[C@@:7]21[H:13],"InChI=1S/C5H6O2/c6-2-5-3-1-4(3)7-5/h2-5H,1H2/t3-,4+,5-/m1/s1","InChI=1S/C5H6O2/c1-3-4(1)7-5(3)2-6-5/h3-4H,1-2H2/t3-,4+,5+/m1/s1",54.376709999999996,13.26935,
11823,[O:1]=[C:2]([C@@:3]1([H:9])[O:4][C@@:5]2([H:10])[C:6]([H:11])([H:12])[C@@:7]12[H:13])[H:8],[O-:1][C:2](=[C:3]([O+:4]=[C:5]([C:7](=[C:6]([H:11])[H:12])[H:13])[H:10])[H:9])[H:8],"InChI=1S/C5H6O2/c6-2-5-3-1-4(3)7-5/h2-5H,1H2/t3-,4+,5-/m1/s1","InChI=1S/C5H6O2/c1-2-4-7-5-3-6/h2-5H,1H2",49.37658,-1.74452,
11824,[O:1]=[C:2]([C@@:3]1([H:9])[O:4][C@@:5]2([H:10])[C:6]([H:11])([H:12])[C@@:7]12[H:13])[H:8],[O:1]=[C:2]([C@@:7]1([H:13])[C:3]([H:9])=[O+:4][C-:5]([H:10])[C:6]1([H:11])[H:12])[H:8],"InChI=1S/C5H6O2/c6-2-5-3-1-4(3)7-5/h2-5H,1H2/t3-,4+,5-/m1/s1","InChI=1S/C5H6O2/c6-3-5-1-2-7-4-5/h2-5H,1H2/t5-/m0/s1",28.65203,11.95389,
11825,[O:1]=[C:2]([C@@:3]1([H:9])[O:4][C@@:5]2([H:10])[C:6]([H:11])([H:12])[C@@:7]12[H:13])[H:8],[O:1](/[C:2](=[C:3](\[O:4][C:5]1([H:10])[C:6]([H:11])=[C:7]1[H:13])[H:9])[H:8])[H:12],"InChI=1S/C5H6O2/c6-2-5-3-1-4(3)7-5/h2-5H,1H2/t3-,4+,5-/m1/s1",InChI=1S/C5H6O2/c6-3-4-7-5-1-2-5/h1-6H/b4-3-,41.9144,14.32835,
11826,[O:1]=[C:2]([C@@:3]1([H:9])[O:4][C@@:5]2([H:10])[C:6]([H:11])([H:12])[C@@:7]12[H:13])[H:8],[C:5]1([H:10])=[C:7]([H:13])[C:6]1([H:11])[H:12].[O:1]=[C:2]([C:3](=[O:4])[H:9])[H:8],"InChI=1S/C5H6O2/c6-2-5-3-1-4(3)7-5/h2-5H,1H2/t3-,4+,5-/m1/s1","InChI=1S/C3H4.C2H2O2/c1-2-3-1;3-1-2-4/h1-2H,3H2;1-2H",54.12369,24.224079999999997,2+2_cycloaddition
11827,[O:1]=[C:2]([C@@:3]1([H:9])[O:4][C@@:5]2([H:10])[C:6]([H:11])([H:12])[C@@:7]12[H:13])[H:8],[O:1]=[C:2]=[C:3]([C@@:7]1([H:13])[C@:5]([O:4][H:8])([H:10])[C:6]1([H:11])[H:12])[H:9],"InChI=1S/C5H6O2/c6-2-5-3-1-4(3)7-5/h2-5H,1H2/t3-,4+,5-/m1/s1","InChI=1S/C5H6O2/c6-2-1-4-3-5(4)7/h1,4-5,7H,3H2/t4-,5+/m1/s1",69.05306,-23.14199,
11828,[O:1]=[C:2]([C@@:3]1([H:9])[O:4][C@@:5]2([H:10])[C:6]([H:11])([H:12])[C@@:7]12[H:13])[H:8],[O+:1]#[C:2][C@@:3]([O:4][H:8])([C@@:7]1([H:13])[C-:5]([H:10])[C:6]1([H:11])[H:12])[H:9],"InChI=1S/C5H6O2/c6-2-5-3-1-4(3)7-5/h2-5H,1H2/t3-,4+,5-/m1/s1","InChI=1S/C5H6O2/c6-3-5(7)4-1-2-4/h1,4-5,7H,2H2/t4-,5+/m0/s1",66.17211,37.68313,
11829,[O:1]=[C:2]([C@@:3]1([H:9])[O:4][C@@:5]2([H:10])[C:6]([H:11])([H:12])[C@@:7]12[H:13])[H:8],[O:1]=[C:2]([C@@:3]1([H:9])[O:4][C@:5]([C:6]([H:11])([H:12])[H:13])([H:10])[C:7]1)[H:8],"InChI=1S/C5H6O2/c6-2-5-3-1-4(3)7-5/h2-5H,1H2/t3-,4+,5-/m1/s1","InChI=1S/C5H6O2/c1-4-2-5(3-6)7-4/h3-5H,1H3/t4-,5-/m0/s1",59.59195,57.618480000000005,
11830,[O:1]=[C:2]([C@@:3]1([H:9])[O:4][C@@:5]2([H:10])[C:6]([H:11])([H:12])[C@@:7]12[H:13])[H:8],[O:1]([C@:2]1([H:8])[C@@:3]([C:7]2([H:13])[C:5]([H:10])=[C:6]2[H:11])([H:9])[O:4]1)[H:12],"InChI=1S/C5H6O2/c6-2-5-3-1-4(3)7-5/h2-5H,1H2/t3-,4+,5-/m1/s1","InChI=1S/C5H6O2/c6-5-4(7-5)3-1-2-3/h1-6H/t4-,5-/m0/s1",61.648309999999995,19.61851,
11831,[O:1]=[C:2]([C@@:3]1([H:9])[O:4][C@@:5]2([H:10])[C:6]([H:11])([H:12])[C@@:7]12[H:13])[H:8],[O:1]=[C:2]([C@@:3]([O:4][H:10])([C@@:7]1([H:13])[C:5][C:6]1([H:11])[H:12])[H:9])[H:8],"InChI=1S/C5H6O2/c6-2-5-3-1-4(3)7-5/h2-5H,1H2/t3-,4+,5-/m1/s1","InChI=1S/C5H6O2/c6-3-5(7)4-1-2-4/h3-5,7H,1H2/t4-,5-/m1/s1",62.136269999999996,57.13955,
11832,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[C:6]([H:14])=[C:7]1[H:15],[O:1]1[C:2](=[C:3]([H:8])[H:9])[C:7]([H:15])=[C:6]([H:14])[C@:5]1([C:4]([H:10])([H:11])[H:12])[H:13],"InChI=1S/C6H8O/c7-6-4-2-1-3-5-6/h2,4H,1,3,5H2","InChI=1S/C6H8O/c1-5-3-4-6(2)7-5/h3-4,6H,1H2,2H3/t6-/m1/s1",100.06298000000001,16.31065,
11833,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[C:6]([H:14])=[C:7]1[H:15],[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5]([H:13])=[C:6]([H:14])[C:7]1([H:12])[H:15],"InChI=1S/C6H8O/c7-6-4-2-1-3-5-6/h2,4H,1,3,5H2","InChI=1S/C6H8O/c7-6-4-2-1-3-5-6/h1-2H,3-5H2",61.22841,4.27451,
11834,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[C:6]([H:14])=[C:7]1[H:15],[O:1]=[C:2]=[C:7]([C@:6]1([H:14])[C@@:4]([C:3]([H:8])([H:9])[H:10])([H:11])[C:5]1([H:12])[H:13])[H:15],"InChI=1S/C6H8O/c7-6-4-2-1-3-5-6/h2,4H,1,3,5H2","InChI=1S/C6H8O/c1-5-4-6(5)2-3-7/h2,5-6H,4H2,1H3/t5-,6+/m1/s1",95.62745,29.81219,
11835,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[C:6]([H:14])=[C:7]1[H:15],[O:1]=[C:2]1[C:3]([H:8])([H:9])[C-:4]([H:10])[C:5]([H:12])([H:13])[C+:6]([H:14])[C:7]1([H:11])[H:15],"InChI=1S/C6H8O/c7-6-4-2-1-3-5-6/h2,4H,1,3,5H2","InChI=1S/C6H8O/c7-6-4-2-1-3-5-6/h2-3H,1,4-5H2",68.3009,69.41069,
11836,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[C:6]([H:14])=[C:7]1[H:15],[O:1]=[C:2]=[C:7]([C:6]1([H:14])[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5]1([H:12])[H:13])[H:15],"InChI=1S/C6H8O/c7-6-4-2-1-3-5-6/h2,4H,1,3,5H2","InChI=1S/C6H8O/c7-5-4-6-2-1-3-6/h4,6H,1-3H2",82.34393,31.203570000000003,
11837,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[C:6]([H:14])=[C:7]1[H:15],[H:11][H:13].[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])=[C:5]([H:12])[C:6]([H:14])=[C:7]1[H:15],"InChI=1S/C6H8O/c7-6-4-2-1-3-5-6/h2,4H,1,3,5H2","InChI=1S/C6H6O.H2/c7-6-4-2-1-3-5-6;/h1-4H,5H2;1H",91.20685,23.54106,
11838,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[C:6]([H:14])=[C:7]1[H:15],[C:3](=[C:4]([H:10])[H:11])([H:8])[H:9].[O:1]=[C:2]=[C:7]([C:6](=[C:5]([H:12])[H:13])[H:14])[H:15],"InChI=1S/C6H8O/c7-6-4-2-1-3-5-6/h2,4H,1,3,5H2","InChI=1S/C4H4O.C2H4/c1-2-3-4-5;1-2/h2-3H,1H2;1-2H2",55.98163,45.5949,
11839,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[C:6]([H:14])=[C:7]1[H:15],[O:1]1[C@@:2]23[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[C@:6]2([H:14])[C@@:7]13[H:15],"InChI=1S/C6H8O/c7-6-4-2-1-3-5-6/h2,4H,1,3,5H2","InChI=1S/C6H8O/c1-2-4-5-6(4,3-1)7-5/h4-5H,1-3H2/t4-,5-,6+/m1/s1",84.23299999999999,73.17349,
11840,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[C:6]([H:14])=[C:7]1[H:15],[O:1]1[C:2]2=[C:7]([H:15])[C@:6]2([H:14])[C:5]([H:12])([H:13])[C:4]([H:10])([H:11])[C:3]1([H:8])[H:9],"InChI=1S/C6H8O/c7-6-4-2-1-3-5-6/h2,4H,1,3,5H2","InChI=1S/C6H8O/c1-2-5-4-6(5)7-3-1/h4-5H,1-3H2/t5-/m0/s1",114.79935,68.22931,
11841,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[C:6]([H:14])=[C:7]1[H:15],[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[C:6][C:7]1([H:14])[H:15],"InChI=1S/C6H8O/c7-6-4-2-1-3-5-6/h2,4H,1,3,5H2","InChI=1S/C6H8O/c7-6-4-2-1-3-5-6/h1-2,4-5H2",78.82576999999999,78.13444,Singlet_Carbene_Intra_Disproportionation
11842,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[C:6]([H:14])=[C:7]1[H:15],[O:1]1[C:2](=[C:3]([H:8])[H:9])[C:7]([H:15])=[C:6]([H:14])[C:5]([H:12])([H:13])[C:4]1([H:10])[H:11],"InChI=1S/C6H8O/c7-6-4-2-1-3-5-6/h2,4H,1,3,5H2","InChI=1S/C6H8O/c1-6-4-2-3-5-7-6/h2,4H,1,3,5H2",97.74694000000001,18.67454,ketoenol
11843,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[C:6]([H:14])=[C:7]1[H:15],[O:1]([C:2]1=[C:7]([H:15])[C:6]([H:14])=[C:5]([H:13])[C:4]([H:10])([H:11])[C:3]1([H:8])[H:9])[H:12],"InChI=1S/C6H8O/c7-6-4-2-1-3-5-6/h2,4H,1,3,5H2","InChI=1S/C6H8O/c7-6-4-2-1-3-5-6/h1-2,4,7H,3,5H2",79.99349000000001,7.8433,
11844,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[C:6]([H:14])=[C:7]1[H:15],[H:12][H:14].[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5]([H:13])=[C:6]=[C:7]1[H:15],"InChI=1S/C6H8O/c7-6-4-2-1-3-5-6/h2,4H,1,3,5H2","InChI=1S/C6H6O.H2/c7-6-4-2-1-3-5-6;/h1,5H,2,4H2;1H",89.10087,67.47277,
11845,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[C:6]([H:14])=[C:7]1[H:15],[O:1]=[C:2]([C:3]([C:4]([C:5]([H:12])([H:13])[H:14])([H:10])[H:11])([H:8])[H:9])[C:7](=[C:6])[H:15],"InChI=1S/C6H8O/c7-6-4-2-1-3-5-6/h2,4H,1,3,5H2","InChI=1S/C6H8O/c1-3-5-6(7)4-2/h4H,3,5H2,1H3",85.81217,78.89189,
11846,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[C:6]([H:14])=[C:7]1[H:15],[O-:1][C:2]1=[C+:7][C:6]([H:14])([H:15])[C:5]([H:12])([H:13])[C:4]([H:10])([H:11])[C:3]1([H:8])[H:9],"InChI=1S/C6H8O/c7-6-4-2-1-3-5-6/h2,4H,1,3,5H2",InChI=1S/C6H8O/c7-6-4-2-1-3-5-6/h1-4H2,78.18099000000001,76.51609,Singlet_Carbene_Intra_Disproportionation
11847,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[C:6]([H:14])=[C:7]1[H:15],[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[C@@:7]1([C:6][H:14])[H:15],"InChI=1S/C6H8O/c7-6-4-2-1-3-5-6/h2,4H,1,3,5H2","InChI=1S/C6H8O/c1-5-3-2-4-6(5)7/h1,5H,2-4H2/t5-/m0/s1",98.33321,89.54875,
11848,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[C:6]([H:14])=[C:7]1[H:15],[O:1]=[C:2](/[C:7](=[C:6](\[C:5]([C:4](=[C:3]([H:8])[H:9])[H:10])([H:12])[H:13])[H:14])[H:15])[H:11],"InChI=1S/C6H8O/c7-6-4-2-1-3-5-6/h2,4H,1,3,5H2","InChI=1S/C6H8O/c1-2-3-4-5-6-7/h2,4-6H,1,3H2/b5-4-",78.73147,28.239790000000003,
11849,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[C:6]([H:14])=[C:7]1[H:15],[O:1]1[C:2]2=[C:7]([H:15])[C@:6]1([H:14])[C:5]([H:12])([H:13])[C:4]([H:10])([H:11])[C:3]2([H:8])[H:9],"InChI=1S/C6H8O/c7-6-4-2-1-3-5-6/h2,4H,1,3,5H2","InChI=1S/C6H8O/c1-2-5-4-6(3-1)7-5/h4-5H,1-3H2/t5-/m0/s1",88.00921,72.44461,
11850,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[C:6]([H:14])=[C:7]1[H:15],[O:1]=[C:2]=[C:7](/[C:6](=[C:5](\[C:4]([C:3]([H:8])([H:9])[H:13])([H:10])[H:11])[H:12])[H:14])[H:15],"InChI=1S/C6H8O/c7-6-4-2-1-3-5-6/h2,4H,1,3,5H2","InChI=1S/C6H8O/c1-2-3-4-5-6-7/h3-5H,2H2,1H3/b4-3-",90.29715999999999,19.95116,
11851,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[C:6]([H:14])=[C:7]1[H:15],[H:8][H:12].[O-:1][C:2]1=[C:7]([H:15])[C:6]([H:14])=[C:5]([H:13])[C:4]([H:10])([H:11])[C+:3]1[H:9],"InChI=1S/C6H8O/c7-6-4-2-1-3-5-6/h2,4H,1,3,5H2","InChI=1S/C6H6O.H2/c7-6-4-2-1-3-5-6;/h1-2,4-5H,3H2;1H",65.01603,61.09891999999999,
11852,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[C:6]([H:14])=[C:7]1[H:15],[H:9][H:11].[O:1]=[C:2]1[C:3]([H:8])=[C:4]([H:10])[C:5]([H:12])([H:13])[C:6]([H:14])=[C:7]1[H:15],"InChI=1S/C6H8O/c7-6-4-2-1-3-5-6/h2,4H,1,3,5H2","InChI=1S/C6H6O.H2/c7-6-4-2-1-3-5-6;/h2-5H,1H2;1H",94.66863000000001,22.80186,
11853,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[C:6]([H:14])=[C:7]1[H:15],[O:1]=[C:2]=[C:7]([C:6]([C:5]([C:4](=[C:3]([H:8])[H:9])[H:10])([H:12])[H:13])([H:11])[H:14])[H:15],"InChI=1S/C6H8O/c7-6-4-2-1-3-5-6/h2,4H,1,3,5H2","InChI=1S/C6H8O/c1-2-3-4-5-6-7/h2,5H,1,3-4H2",71.14909,26.12055,
11854,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[C:6]([H:14])=[C:7]1[H:15],[O:1]([C:2]1=[C:3]([H:8])[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[C:6]([H:14])=[C:7]1[H:15])[H:9],"InChI=1S/C6H8O/c7-6-4-2-1-3-5-6/h2,4H,1,3,5H2","InChI=1S/C6H8O/c7-6-4-2-1-3-5-6/h2,4-5,7H,1,3H2",63.058080000000004,10.359010000000001,ketoenol
11855,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[C:6]([H:14])=[C:7]1[H:15],[O:1]=[C:2]([C@:3]1([H:9])[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[C:6]([H:14])=[C:7]1[H:15])[H:8],"InChI=1S/C6H8O/c7-6-4-2-1-3-5-6/h2,4H,1,3,5H2","InChI=1S/C6H8O/c7-5-6-3-1-2-4-6/h1,3,5-6H,2,4H2/t6-/m0/s1",82.59275,14.09169,
11856,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[C:6]([H:14])=[C:7]1[H:15],[O:1]([C:2]1=[C:7]=[C:6]([H:14])[C:5]([H:12])([H:13])[C:4]([H:10])([H:11])[C:3]1([H:8])[H:9])[H:15],"InChI=1S/C6H8O/c7-6-4-2-1-3-5-6/h2,4H,1,3,5H2","InChI=1S/C6H8O/c7-6-4-2-1-3-5-6/h2,7H,1,3,5H2",65.9563,45.70677,ketoenol
11857,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[C:6]([H:14])=[C:7]1[H:15],[O:1]=[C:2]([C:3](=[C:4]([H:10])[H:11])[H:9])/[C:7](=[C:6](\[C:5]([H:8])([H:12])[H:13])[H:14])[H:15],"InChI=1S/C6H8O/c7-6-4-2-1-3-5-6/h2,4H,1,3,5H2","InChI=1S/C6H8O/c1-3-5-6(7)4-2/h3-5H,2H2,1H3/b5-3-",119.62915,21.03639,
11858,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[C:6]([H:14])=[C:7]1[H:15],[O:1]=[C:2]1[C@@:4]([C:3]([H:8])([H:9])[H:10])([H:11])[C:5]([H:12])([H:13])[C:6]([H:14])=[C:7]1[H:15],"InChI=1S/C6H8O/c7-6-4-2-1-3-5-6/h2,4H,1,3,5H2","InChI=1S/C6H8O/c1-5-3-2-4-6(5)7/h2,4-5H,3H2,1H3/t5-/m1/s1",98.37253,0.57968,
11859,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[C:6]([H:14])=[C:7]1[H:15],[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[C:6]1=[C:7]([H:14])[H:15],"InChI=1S/C6H8O/c7-6-4-2-1-3-5-6/h2,4H,1,3,5H2",InChI=1S/C6H8O/c1-5-3-2-4-6(5)7/h1-4H2,139.00527,4.43982,
11860,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[C:6]([H:14])=[C:7]1[H:15],[O:1]1[C@@:2]2([H:8])[C@:3]1([H:9])[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[C:6]([H:14])=[C:7]2[H:15],"InChI=1S/C6H8O/c7-6-4-2-1-3-5-6/h2,4H,1,3,5H2","InChI=1S/C6H8O/c1-2-4-6-5(3-1)7-6/h1,3,5-6H,2,4H2/t5-,6+/m1/s1",83.8007,32.91652,
11861,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[C:6]([H:14])=[C:7]1[H:15],[O:1]([C@:2]12[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C@@:5]1([H:13])[C:6]([H:14])=[C:7]2[H:15])[H:12],"InChI=1S/C6H8O/c7-6-4-2-1-3-5-6/h2,4H,1,3,5H2","InChI=1S/C6H8O/c7-6-3-1-5(6)2-4-6/h1,3,5,7H,2,4H2/t5-,6-/m1/s1",112.42448,49.86192,
11862,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[C:6]([H:14])=[C:7]1[H:15],[H:14][H:15].[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[C:6]#[C:7]1,"InChI=1S/C6H8O/c7-6-4-2-1-3-5-6/h2,4H,1,3,5H2","InChI=1S/C6H6O.H2/c7-6-4-2-1-3-5-6;/h1-2,4H2;1H",104.78345999999999,76.29711999999999,
11863,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[C:6]([H:14])=[C:7]1[H:15],[O:1]1[C:2](=[C:3]([H:8])[H:9])[C@:7]1([C:6]1([H:14])[C:4]([H:10])([H:11])[C:5]1([H:12])[H:13])[H:15],"InChI=1S/C6H8O/c7-6-4-2-1-3-5-6/h2,4H,1,3,5H2","InChI=1S/C6H8O/c1-4-6(7-4)5-2-3-5/h5-6H,1-3H2/t6-/m0/s1",96.2409,56.809630000000006,
11864,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[C:6]([H:14])=[C:7]1[H:15],[O+:1]1=[C-:2][C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[C:6]([H:14])=[C:7]1[H:15],"InChI=1S/C6H8O/c7-6-4-2-1-3-5-6/h2,4H,1,3,5H2","InChI=1S/C6H8O/c1-2-4-6-7-5-3-1/h3,5H,1-2,4H2",92.79772,93.48901,
11865,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[C:6]([H:14])=[C:7]1[H:15],[O-:1][C:2](=[C+:3][H:8])/[C:7](=[C:6](\[C:5]([C:4]([H:9])([H:10])[H:11])([H:12])[H:13])[H:14])[H:15],"InChI=1S/C6H8O/c7-6-4-2-1-3-5-6/h2,4H,1,3,5H2","InChI=1S/C6H8O/c1-3-4-5-6(2)7/h2,4-5H,3H2,1H3/b5-4-",84.21606,86.33296,
11866,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[C:6]([H:14])=[C:7]1[H:15],[O:1]=[C:2]1[C@:3]([C:4]([H:9])([H:10])[H:11])([H:8])[C@:7]1([C:6](=[C:5]([H:12])[H:13])[H:14])[H:15],"InChI=1S/C6H8O/c7-6-4-2-1-3-5-6/h2,4H,1,3,5H2","InChI=1S/C6H8O/c1-3-5-4(2)6(5)7/h3-5H,1H2,2H3/t4-,5+/m0/s1",91.28092,42.66628,
11867,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[C:6]([H:14])=[C:7]1[H:15],[C:6](#[C:7][H:15])[H:14].[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5]1([H:12])[H:13],"InChI=1S/C6H8O/c7-6-4-2-1-3-5-6/h2,4H,1,3,5H2",InChI=1S/C4H6O.C2H2/c5-4-2-1-3-4;1-2/h1-3H2;1-2H,116.77238999999999,65.80256999999999,
11868,[N:1]([c:2]1[c:3]([O:4][H:10])[n:5]([H:11])[c:6]([H:12])[c:7]1[H:13])([H:8])[H:9],[N:1]([C@:2]1([H:11])[C:3]([O:4][H:10])=[N:5][C:6]([H:12])=[C:7]1[H:13])([H:8])[H:9],"InChI=1S/C4H6N2O/c5-3-1-2-6-4(3)7/h1-2,6-7H,5H2","InChI=1S/C4H6N2O/c5-3-1-2-6-4(3)7/h1-3H,5H2,(H,6,7)/t3-/m0/s1",46.23147,11.25812,
11869,[N:1]([c:2]1[c:3]([O:4][H:10])[n:5]([H:11])[c:6]([H:12])[c:7]1[H:13])([H:8])[H:9],[N-:1]([C:2]1=[C:3]([O:4][H:10])[N:5]([H:11])[C+:6]([H:12])[C:7]1([H:9])[H:13])[H:8],"InChI=1S/C4H6N2O/c5-3-1-2-6-4(3)7/h1-2,6-7H,5H2","InChI=1S/C4H6N2O/c5-3-1-2-6-4(3)7/h2,5-7H,1H2",82.04053,39.11663,
11870,[N:1]([c:2]1[c:3]([O:4][H:10])[n:5]([H:11])[c:6]([H:12])[c:7]1[H:13])([H:8])[H:9],[N:1]([C:2]1=[C:3]([O:4][H:10])[N+:5]([H:11])([H:12])[C-:6]=[C:7]1[H:13])([H:8])[H:9],"InChI=1S/C4H6N2O/c5-3-1-2-6-4(3)7/h1-2,6-7H,5H2","InChI=1S/C4H6N2O/c5-3-1-2-6-4(3)7/h1,7H,5-6H2",83.09408,76.40788,
11871,[N:1]([c:2]1[c:3]([O:4][H:10])[n:5]([H:11])[c:6]([H:12])[c:7]1[H:13])([H:8])[H:9],[N:1]([C@@:2]1([H:13])[C+:3]([O:4][H:10])[N:5]([H:11])[C:6]([H:12])=[C-:7]1)([H:8])[H:9],"InChI=1S/C4H6N2O/c5-3-1-2-6-4(3)7/h1-2,6-7H,5H2","InChI=1S/C4H6N2O/c5-3-1-2-6-4(3)7/h2-3,6-7H,5H2/t3-/m1/s1",75.65657,70.65084,
11872,[N:1]([c:2]1[c:3]([O:4][H:10])[n:5]([H:11])[c:6]([H:12])[c:7]1[H:13])([H:8])[H:9],[N:1]([C:2](/[C:3]([O:4][H:10])=[N:5]/[H:11])=[C:7]=[C:6]([H:12])[H:13])([H:8])[H:9],"InChI=1S/C4H6N2O/c5-3-1-2-6-4(3)7/h1-2,6-7H,5H2","InChI=1S/C4H6N2O/c1-2-3(5)4(6)7/h1,5H2,(H2,6,7)",86.89918,23.45746,
11873,[N:1]([c:2]1[c:3]([O:4][H:10])[n:5]([H:11])[c:6]([H:12])[c:7]1[H:13])([H:8])[H:9],[N:1]([C:2]1=[C:7]([H:13])[C:6]([H:12])=[N:5][C@@:3]1([O:4][H:10])[H:11])([H:8])[H:9],"InChI=1S/C4H6N2O/c5-3-1-2-6-4(3)7/h1-2,6-7H,5H2","InChI=1S/C4H6N2O/c5-3-1-2-6-4(3)7/h1-2,4,7H,5H2/t4-/m1/s1",43.421009999999995,8.50178,
11874,[N:1]([c:2]1[c:3]([O:4][H:10])[n:5]([H:11])[c:6]([H:12])[c:7]1[H:13])([H:8])[H:9],[N+:1]1([H:8])([H:9])[C-:2]=[C:3]([O:4][H:10])[N:5]([H:11])[C:6]([H:12])=[C:7]1[H:13],"InChI=1S/C4H6N2O/c5-3-1-2-6-4(3)7/h1-2,6-7H,5H2","InChI=1S/C4H6N2O/c7-4-3-5-1-2-6-4/h1-2,6-7H,5H2",100.37142,77.70432,
11875,[N:1]([c:2]1[c:3]([O:4][H:10])[n:5]([H:11])[c:6]([H:12])[c:7]1[H:13])([H:8])[H:9],[N:1]([C@@:2]1([O:4][H:10])[C:3][N:5]([H:11])[C:6]([H:12])=[C:7]1[H:13])([H:8])[H:9],"InChI=1S/C4H6N2O/c5-3-1-2-6-4(3)7/h1-2,6-7H,5H2","InChI=1S/C4H6N2O/c5-4(7)1-2-6-3-4/h1-2,6-7H,5H2/t4-/m0/s1",69.28443,60.388090000000005,
11876,[N:1]([c:2]1[c:3]([O:4][H:10])[n:5]([H:11])[c:6]([H:12])[c:7]1[H:13])([H:8])[H:9],[N:1]([C:2]1=[C-:7][C:6]([H:12])([H:13])[N:5]([H:11])[C+:3]1[O:4][H:10])([H:8])[H:9],"InChI=1S/C4H6N2O/c5-3-1-2-6-4(3)7/h1-2,6-7H,5H2","InChI=1S/C4H6N2O/c5-3-1-2-6-4(3)7/h6-7H,2,5H2",63.102180000000004,50.466409999999996,Singlet_Carbene_Intra_Disproportionation
11877,[N:1]([c:2]1[c:3]([O:4][H:10])[n:5]([H:11])[c:6]([H:12])[c:7]1[H:13])([H:8])[H:9],[N:1]([C:3](=[C:2]=[C:7](/[C:6](=[N:5]/[H:11])[H:12])[H:13])[O:4][H:10])([H:8])[H:9],"InChI=1S/C4H6N2O/c5-3-1-2-6-4(3)7/h1-2,6-7H,5H2","InChI=1S/C4H6N2O/c5-3-1-2-4(6)7/h1,3,5,7H,6H2/b5-3+",90.76201999999999,38.676970000000004,
11878,[N:1]([c:2]1[c:3]([O:4][H:10])[n:5]([H:11])[c:6]([H:12])[c:7]1[H:13])([H:8])[H:9],[N:1]([C:2]1=[C-:3][N:5]([H:11])[C@:6]([O:4][H:10])([H:12])[C+:7]1[H:13])([H:8])[H:9],"InChI=1S/C4H6N2O/c5-3-1-2-6-4(3)7/h1-2,6-7H,5H2","InChI=1S/C4H6N2O/c5-3-1-4(7)6-2-3/h1,4,6-7H,5H2/t4-/m0/s1",100.27186999999999,48.19236,
11879,[N:1]([c:2]1[c:3]([O:4][H:10])[n:5]([H:11])[c:6]([H:12])[c:7]1[H:13])([H:8])[H:9],[H:8][H:10].[N:1](=[C:2]1/[C:3](=[O:4])[N:5]([H:11])[C:6]([H:12])=[C:7]1[H:13])\[H:9],"InChI=1S/C4H6N2O/c5-3-1-2-6-4(3)7/h1-2,6-7H,5H2","InChI=1S/C4H4N2O.H2/c5-3-1-2-6-4(3)7;/h1-2H,(H2,5,6,7);1H",44.226859999999995,17.94158,
11880,[N:1]([c:2]1[c:3]([O:4][H:10])[n:5]([H:11])[c:6]([H:12])[c:7]1[H:13])([H:8])[H:9],[N:1]([C:2]1=[C:7]([H:13])[C:6]([H:11])([H:12])[N:5]=[C:3]1[O:4][H:10])([H:8])[H:9],"InChI=1S/C4H6N2O/c5-3-1-2-6-4(3)7/h1-2,6-7H,5H2","InChI=1S/C4H6N2O/c5-3-1-2-6-4(3)7/h1H,2,5H2,(H,6,7)",40.09061,3.6071400000000002,
11881,[N:1]([c:2]1[c:3]([O:4][H:10])[n:5]([H:11])[c:6]([H:12])[c:7]1[H:13])([H:8])[H:9],[N:1]([C@@:3]1([O:4][H:10])[C-:2]=[C:7]([H:13])[C+:6]([H:12])[N:5]1[H:11])([H:8])[H:9],"InChI=1S/C4H6N2O/c5-3-1-2-6-4(3)7/h1-2,6-7H,5H2","InChI=1S/C4H6N2O/c5-4(7)2-1-3-6-4/h1,3,6-7H,5H2/t4-/m0/s1",72.57309000000001,66.09357,
11882,[N:1]([c:2]1[c:3]([O:4][H:10])[n:5]([H:11])[c:6]([H:12])[c:7]1[H:13])([H:8])[H:9],[N:1]([C-:2]=[C:7]([C+:6]([N:5]([C:3][O:4][H:10])[H:11])[H:12])[H:13])([H:8])[H:9],"InChI=1S/C4H6N2O/c5-3-1-2-6-4(3)7/h1-2,6-7H,5H2","InChI=1S/C4H6N2O/c5-2-1-3-6-4-7/h1,3,6-7H,5H2",76.40243000000001,82.4687,
11883,[N:1]([c:2]1[c:3]([O:4][H:10])[n:5]([H:11])[c:6]([H:12])[c:7]1[H:13])([H:8])[H:9],[N:1]([C:2][C@@:3]1([O:4][H:10])[N:5]([H:11])[C:6]([H:12])=[C:7]1[H:13])([H:8])[H:9],"InChI=1S/C4H6N2O/c5-3-1-2-6-4(3)7/h1-2,6-7H,5H2","InChI=1S/C4H6N2O/c5-3-4(7)1-2-6-4/h1-2,6-7H,5H2/t4-/m1/s1",101.08026,80.54394,
11884,[N:1]([c:2]1[c:3]([O:4][H:10])[n:5]([H:11])[c:6]([H:12])[c:7]1[H:13])([H:8])[H:9],[N:1]([C@@:2]1([H:10])[C:3](=[O:4])[N:5]([H:11])[C:6]([H:12])=[C:7]1[H:13])([H:8])[H:9],"InChI=1S/C4H6N2O/c5-3-1-2-6-4(3)7/h1-2,6-7H,5H2","InChI=1S/C4H6N2O/c5-3-1-2-6-4(3)7/h1-3H,5H2,(H,6,7)/t3-/m1/s1",23.654339999999998,1.17839,ketoenol
11885,[N:1]([c:2]1[c:3]([O:4][H:10])[n:5]([H:11])[c:6]([H:12])[c:7]1[H:13])([H:8])[H:9],[N:1]([C:2]1=[C:3]([O:4][H:10])[N:5]([H:11])[C:6][C:7]1([H:12])[H:13])([H:8])[H:9],"InChI=1S/C4H6N2O/c5-3-1-2-6-4(3)7/h1-2,6-7H,5H2","InChI=1S/C4H6N2O/c5-3-1-2-6-4(3)7/h6-7H,1,5H2",58.25016,52.78598,Singlet_Carbene_Intra_Disproportionation
11886,[N:1]([c:2]1[c:3]([O:4][H:10])[n:5]([H:11])[c:6]([H:12])[c:7]1[H:13])([H:8])[H:9],[N:1](=[C:2]1/[C@:3]([O:4][H:10])([H:9])[N:5]([H:11])[C:6]([H:12])=[C:7]1[H:13])\[H:8],"InChI=1S/C4H6N2O/c5-3-1-2-6-4(3)7/h1-2,6-7H,5H2","InChI=1S/C4H6N2O/c5-3-1-2-6-4(3)7/h1-2,4-7H/b5-3+/t4-/m1/s1",67.43836,9.27346,
11887,[N:1]([c:2]1[c:3]([O:4][H:10])[n:5]([H:11])[c:6]([H:12])[c:7]1[H:13])([H:8])[H:9],[N-:1]([C:2]1=[C+:3][N:5]([H:11])[C:6]([H:12])=[C:7]1[H:13])[H:8].[O:4]([H:9])[H:10],"InChI=1S/C4H6N2O/c5-3-1-2-6-4(3)7/h1-2,6-7H,5H2","InChI=1S/C4H4N2.H2O/c5-4-1-2-6-3-4;/h1-2,5-6H;1H2",64.23214,67.18288000000001,
11888,[N:1]([c:2]1[c:3]([O:4][H:10])[n:5]([H:11])[c:6]([H:12])[c:7]1[H:13])([H:8])[H:9],[N:1]([C:2]1=[C:7]([H:13])[C:6]([H:10])([H:12])[N:5]([H:11])[C:3]1=[O:4])([H:8])[H:9],"InChI=1S/C4H6N2O/c5-3-1-2-6-4(3)7/h1-2,6-7H,5H2","InChI=1S/C4H6N2O/c5-3-1-2-6-4(3)7/h1H,2,5H2,(H,6,7)",75.9663,-13.68024,
11889,[N:1]([c:2]1[c:3]([O:4][H:10])[n:5]([H:11])[c:6]([H:12])[c:7]1[H:13])([H:8])[H:9],[N:1]([C:2]1=[C:7]=[C:6]([H:12])[N:5]([H:11])[C@@:3]1([O:4][H:10])[H:13])([H:8])[H:9],"InChI=1S/C4H6N2O/c5-3-1-2-6-4(3)7/h1-2,6-7H,5H2","InChI=1S/C4H6N2O/c5-3-1-2-6-4(3)7/h2,4,6-7H,5H2/t4-/m1/s1",87.73127,57.52451,
11890,[N:1]([c:2]1[c:3]([O:4][H:10])[n:5]([H:11])[c:6]([H:12])[c:7]1[H:13])([H:8])[H:9],[N:1]([C@:7]1([H:13])[C-:2]=[C:3]([O:4][H:10])[N:5]([H:11])[C+:6]1[H:12])([H:8])[H:9],"InChI=1S/C4H6N2O/c5-3-1-2-6-4(3)7/h1-2,6-7H,5H2","InChI=1S/C4H6N2O/c5-3-1-4(7)6-2-3/h2-3,6-7H,5H2/t3-/m1/s1",99.13255,79.62064000000001,
11891,[C:1]([c:2]1[c:3]([H:11])[c:4]([O:5][H:12])[n:6][n:7]1[H:13])([H:8])([H:9])[H:10],[C:1]([C:2][N:7]([N:6]=[C:4]=[C:3]([O:5][H:12])[H:11])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-3-2-4(7)6-5-3/h2H,1H3,(H2,5,6,7)","InChI=1S/C4H6N2O/c1-2-5-6-3-4-7/h4-5,7H,1H3",146.3076,102.85293,
11892,[C:1]([c:2]1[c:3]([H:11])[c:4]([O:5][H:12])[n:6][n:7]1[H:13])([H:8])([H:9])[H:10],[C:1](=[C:3](/[C:4]([O:5][H:12])=[N:6]\[N+:7](=[C-:2][H:8])[H:13])[H:11])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-3-2-4(7)6-5-3/h2H,1H3,(H2,5,6,7)","InChI=1S/C4H6N2O/c1-3-4(7)6-5-2/h2-3,5H,1H2,(H,6,7)",115.75233,77.96585,
11893,[C:1]([c:2]1[c:3]([H:11])[c:4]([O:5][H:12])[n:6][n:7]1[H:13])([H:8])([H:9])[H:10],[C:1]([C@:2]1([H:13])[C:3]([H:11])=[C:4]([O:5][H:12])[N:6]=[N:7]1)([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-3-2-4(7)6-5-3/h2H,1H3,(H2,5,6,7)","InChI=1S/C4H6N2O/c1-3-2-4(7)6-5-3/h2-3,7H,1H3/t3-/m1/s1",45.69712,29.9509,
11894,[C:1]([c:2]1[c:3]([H:11])[c:4]([O:5][H:12])[n:6][n:7]1[H:13])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:3]=[C:4]([O:5][H:12])[N:6]([H:11])[N:7]1[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-3-2-4(7)6-5-3/h2H,1H3,(H2,5,6,7)","InChI=1S/C4H6N2O/c1-3-2-4(7)6-5-3/h5-7H,1H3",87.9153,64.14193,
11895,[C:1]([c:2]1[c:3]([H:11])[c:4]([O:5][H:12])[n:6][n:7]1[H:13])([H:8])([H:9])[H:10],[C:1](=[C:2]1[C+:3]([H:11])[C:4](=[O:5])[N-:6][N:7]1[H:13])([H:9])[H:10].[H:8][H:12],"InChI=1S/C4H6N2O/c1-3-2-4(7)6-5-3/h2H,1H3,(H2,5,6,7)","InChI=1S/C4H4N2O.H2/c1-3-2-4(7)6-5-3;/h2,5H,1H2;1H",125.2448,67.83126,
11896,[C:1]([c:2]1[c:3]([H:11])[c:4]([O:5][H:12])[n:6][n:7]1[H:13])([H:8])([H:9])[H:10],[C:1]([C+:2]1[C:3]([H:11])([H:12])[C:4]([O-:5])=[N:6][N:7]1[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-3-2-4(7)6-5-3/h2H,1H3,(H2,5,6,7)","InChI=1S/C4H6N2O/c1-3-2-4(7)6-5-3/h5H,2H2,1H3",65.75773000000001,23.16304,
11897,[C:1]([c:2]1[c:3]([H:11])[c:4]([O:5][H:12])[n:6][n:7]1[H:13])([H:8])([H:9])[H:10],[C:1]([n:6]1[c+:4]([O:5][H:12])[c:3]([H:11])[c-:2][n:7]1[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-3-2-4(7)6-5-3/h2H,1H3,(H2,5,6,7)","InChI=1S/C4H6N2O/c1-6-4(7)2-3-5-6/h2,5,7H,1H3",151.82573,66.76744000000001,
11898,[C:1]([c:2]1[c:3]([H:11])[c:4]([O:5][H:12])[n:6][n:7]1[H:13])([H:8])([H:9])[H:10],[C:1](/[C:2]([C@:3]1([H:11])[C:4]([O:5][H:12])=[N:6]1)=[N:7]\[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-3-2-4(7)6-5-3/h2H,1H3,(H2,5,6,7)","InChI=1S/C4H6N2O/c1-2(5)3-4(7)6-3/h3,5H,1H3,(H,6,7)/b5-2+/t3-/m1/s1",70.71300000000001,36.62661,
11899,[C:1]([c:2]1[c:3]([H:11])[c:4]([O:5][H:12])[n:6][n:7]1[H:13])([H:8])([H:9])[H:10],[C:1](=[C:2]1[C:3]([H:8])([H:11])[C:4]([O:5][H:12])=[N:6][N:7]1[H:13])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-3-2-4(7)6-5-3/h2H,1H3,(H2,5,6,7)","InChI=1S/C4H6N2O/c1-3-2-4(7)6-5-3/h5H,1-2H2,(H,6,7)",84.20168000000001,22.22315,
11900,[C:1]([c:2]1[c:3]([H:11])[c:4]([O:5][H:12])[n:6][n:7]1[H:13])([H:8])([H:9])[H:10],[C:1]([c:2]1[c:3]([H:11])[c:4](=[O:5])[n:6]([H:12])[n:7]1[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-3-2-4(7)6-5-3/h2H,1H3,(H2,5,6,7)","InChI=1S/C4H6N2O/c1-3-2-4(7)6-5-3/h2H,1H3,(H2,5,6,7)",42.17876,5.590330000000001,ketoenol
11901,[C:1]([c:2]1[c:3]([H:11])[c:4]([O:5][H:12])[n:6][n:7]1[H:13])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C+:3]=[C:4]([O:5][H:12])[N-:6][N:7]1[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-3-2-4(7)6-5-3/h2H,1H3,(H2,5,6,7)","InChI=1S/C4H6N2O/c1-3-2-4(7)6-5-3/h3,5,7H,1H3/t3-/m0/s1",77.90496,78.54371,Singlet_Carbene_Intra_Disproportionation
11902,[C:1]([c:2]1[c:3]([H:11])[c:4]([O:5][H:12])[n:6][n:7]1[H:13])([H:8])([H:9])[H:10],[C:1](=[C:2]1[C:3]([H:11])=[C:4]([O:5][H:12])[N:6]([H:8])[N:7]1[H:13])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-3-2-4(7)6-5-3/h2H,1H3,(H2,5,6,7)","InChI=1S/C4H6N2O/c1-3-2-4(7)6-5-3/h2,5-7H,1H2",97.11762,38.79229,
11903,[C:1]([c:2]1[c:3]([H:11])[c:4]([O:5][H:12])[n:6][n:7]1[H:13])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3](=[C:4]=[N:6][O:5][H:12])[H:11])=[N:7][H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-3-2-4(7)6-5-3/h2H,1H3,(H2,5,6,7)","InChI=1S/C4H6N2O/c1-4(5)2-3-6-7/h2,5,7H,1H3",97.7252,57.77997,
11904,[C:1]([c:2]1[c:3]([H:11])[c:4]([O:5][H:12])[n:6][n:7]1[H:13])([H:8])([H:9])[H:10],[C:1]([c:2]1[c:3]([H:11])[c:4]([O:5][H:12])[n:6]([H:13])[n:7]1)([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-3-2-4(7)6-5-3/h2H,1H3,(H2,5,6,7)","InChI=1S/C4H6N2O/c1-3-2-4(7)6-5-3/h2H,1H3,(H2,5,6,7)",43.97683,3.2126099999999997,
11905,[C:1]([c:2]1[c:3]([H:11])[c:4]([O:5][H:12])[n:6][n:7]1[H:13])([H:8])([H:9])[H:10],[C:1]([C@@:3]1([H:11])[C-:2]=[N+:7]([H:13])[N:6]=[C:4]1[O:5][H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-3-2-4(7)6-5-3/h2H,1H3,(H2,5,6,7)","InChI=1S/C4H6N2O/c1-3-2-5-6-4(3)7/h3,5H,1H3,(H,6,7)/t3-/m0/s1",81.77871999999999,51.786970000000004,
11906,[C:1]([c:2]1[c:3]([H:11])[c:4]([O:5][H:12])[n:6][n:7]1[H:13])([H:8])([H:9])[H:10],[C:1]([C@:2]12[C:3]([H:11])=[C:4]([O:5][H:12])[N:6]1[N:7]2[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-3-2-4(7)6-5-3/h2H,1H3,(H2,5,6,7)","InChI=1S/C4H6N2O/c1-4-2-3(7)6(4)5-4/h2,5,7H,1H3/t4-,6?/m1/s1",91.36776,78.44414,
11907,[C:1]([c:2]1[c:3]([H:11])[c:4]([O:5][H:12])[n:6][n:7]1[H:13])([H:8])([H:9])[H:10],[C:1](=[C:2]1[C:3]([H:11])=[C:4]([O:5][H:12])[N:6]=[N:7]1)([H:9])[H:10].[H:8][H:13],"InChI=1S/C4H6N2O/c1-3-2-4(7)6-5-3/h2H,1H3,(H2,5,6,7)","InChI=1S/C4H4N2O.H2/c1-3-2-4(7)6-5-3;/h2,7H,1H2;1H",84.97868000000001,52.744440000000004,
11908,[C:1]([c:2]1[c:3]([H:11])[c:4]([O:5][H:12])[n:6][n:7]1[H:13])([H:8])([H:9])[H:10],[C:1](=[C:2]1[C:3]([H:11])=[C:4]([O:5][H:12])[N-:6][N+:7]1([H:8])[H:13])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-3-2-4(7)6-5-3/h2H,1H3,(H2,5,6,7)","InChI=1S/C4H6N2O/c1-3-2-4(7)6-5-3/h2,7H,1,5H2",88.28052,50.556909999999995,
11909,[C:1]([C@@:2]1([C:3]([C:4]#[N:5])([H:11])[H:12])[C:6]([H:13])([H:14])[N:7]1[H:15])([H:8])([H:9])[H:10],[C:1](/[C:2]([C:3]([C-:4]=[N+:5]=[C:6]([H:13])[H:14])([H:11])[H:12])=[N:7]\[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5(2-3-6)4-7-5/h7H,2,4H2,1H3/t5-/m1/s1","InChI=1S/C5H8N2/c1-5(6)3-4-7-2/h6H,2-3H2,1H3/b6-5+",62.2962,24.8998,
11910,[C:1]([C@@:2]1([C:3]([C:4]#[N:5])([H:11])[H:12])[C:6]([H:13])([H:14])[N:7]1[H:15])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:6]([H:13])[N:7]1[H:15])([H:8])([H:9])[H:10].[C:3](=[C:4]=[N:5][H:14])([H:11])[H:12],"InChI=1S/C5H8N2/c1-5(2-3-6)4-7-5/h7H,2,4H2,1H3/t5-/m1/s1","InChI=1S/C3H5N.C2H3N/c1-3-2-4-3;1-2-3/h2,4H,1H3;3H,1H2",79.67551999999999,77.34578,Retroene
11911,[C:1]([C@@:2]1([C:3]([C:4]#[N:5])([H:11])[H:12])[C:6]([H:13])([H:14])[N:7]1[H:15])([H:8])([H:9])[H:10],[C:1]1([H:8])([H:9])[C@@:2]2([C:3]([H:11])([H:12])[C:4][N:5]1[H:10])[C:6]([H:13])([H:14])[N:7]2[H:15],"InChI=1S/C5H8N2/c1-5(2-3-6)4-7-5/h7H,2,4H2,1H3/t5-/m1/s1","InChI=1S/C5H8N2/c1-2-6-3-5(1)4-7-5/h6-7H,1,3-4H2/t5-/m0/s1",86.01867,49.35987,
11912,[C:1]([C@@:2]1([C:3]([C:4]#[N:5])([H:11])[H:12])[C:6]([H:13])([H:14])[N:7]1[H:15])([H:8])([H:9])[H:10],[C:1](=[C:2]1[C:6]([H:13])([H:14])[N:7]1[H:15])([H:8])[H:9].[C:3](=[C:4]=[N:5][H:10])([H:11])[H:12],"InChI=1S/C5H8N2/c1-5(2-3-6)4-7-5/h7H,2,4H2,1H3/t5-/m1/s1","InChI=1S/C3H5N.C2H3N/c1-3-2-4-3;1-2-3/h4H,1-2H2;3H,1H2",62.933009999999996,48.85302,Retroene
11913,[C:1]([C@@:2]1([C:3]([C:4]#[N:5])([H:11])[H:12])[C:6]([H:13])([H:14])[N:7]1[H:15])([H:8])([H:9])[H:10],[C:1]([C@:2]([C:3]([C:4]#[N:5])([H:11])[H:12])([N:7]([C:6][H:14])[H:15])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5(2-3-6)4-7-5/h7H,2,4H2,1H3/t5-/m1/s1","InChI=1S/C5H8N2/c1-5(7-2)3-4-6/h2,5,7H,3H2,1H3/t5-/m1/s1",70.81118000000001,34.63131,
11914,[C:1]([C@@:2]1([C:3]([C:4]#[N:5])([H:11])[H:12])[C:6]([H:13])([H:14])[N:7]1[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C:4]1=[N:5]2)([H:8])([H:9])[H:10].[C:6](=[N:7][H:15])([H:13])[H:14],"InChI=1S/C5H8N2/c1-5(2-3-6)4-7-5/h7H,2,4H2,1H3/t5-/m1/s1","InChI=1S/C4H5N.CH3N/c1-4-2-3(4)5-4;1-2/h2H2,1H3;2H,1H2/t4-;/m1./s1",89.07615,76.03675,
11915,[C:1]([C@@:2]1([C:3]([C:4]#[N:5])([H:11])[H:12])[C:6]([H:13])([H:14])[N:7]1[H:15])([H:8])([H:9])[H:10],[C:1](/[C:2]([C:3]([C:4]#[N:5])([H:11])[H:12])=[N:7]/[C:6]([H:13])([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5(2-3-6)4-7-5/h7H,2,4H2,1H3/t5-/m1/s1","InChI=1S/C5H8N2/c1-5(7-2)3-4-6/h3H2,1-2H3/b7-5-",60.93617,-11.68791,
11916,[C:1]([C@@:2]1([C:3]([C:4]#[N:5])([H:11])[H:12])[C:6]([H:13])([H:14])[N:7]1[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([C:3]([C:4]#[N:5])([H:11])[H:12])[C-:6]([H:13])[N+:7]1([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5(2-3-6)4-7-5/h7H,2,4H2,1H3/t5-/m1/s1","InChI=1S/C5H8N2/c1-5(2-3-6)4-7-5/h4H,2,7H2,1H3/t5-/m1/s1",62.88966,54.9585,
11917,[C:1]([C@@:2]1([C:3]([C:4]#[N:5])([H:11])[H:12])[C:6]([H:13])([H:14])[N:7]1[H:15])([H:8])([H:9])[H:10],[C:1]([C+:2]([C:3]([C:4]#[N:5])([H:11])[H:12])[N:7]([C-:6]([H:13])[H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5(2-3-6)4-7-5/h7H,2,4H2,1H3/t5-/m1/s1","InChI=1S/C5H8N2/c1-5(7-2)3-4-6/h7H,2-3H2,1H3",40.4929,21.26484,
11918,[C:1]([C@@:2]1([C:3]([C:4]#[N:5])([H:11])[H:12])[C:6]([H:13])([H:14])[N:7]1[H:15])([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:3](/[C:4]#[N:5])[H:11])[C:6]([N:7]([H:12])[H:15])([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5(2-3-6)4-7-5/h7H,2,4H2,1H3/t5-/m1/s1","InChI=1S/C5H8N2/c1-5(4-7)2-3-6/h2H,4,7H2,1H3/b5-2-",48.17759,-14.302589999999999,
11919,[C:1]([C@@:2]1([C:3]([C:4]#[N:5])([H:11])[H:12])[C:6]([H:13])([H:14])[N:7]1[H:15])([H:8])([H:9])[H:10],[C:1](/[C:2]([C:3]([C:4]1=[N:5][C:6]1([H:13])[H:14])([H:11])[H:12])=[N:7]\[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5(2-3-6)4-7-5/h7H,2,4H2,1H3/t5-/m1/s1","InChI=1S/C5H8N2/c1-4(6)2-5-3-7-5/h6H,2-3H2,1H3/b6-4+",66.51023,18.142310000000002,
11920,[C:1]([C@@:2]1([C:3]([C:4]#[N:5])([H:11])[H:12])[C:6]([H:13])([H:14])[N:7]1[H:15])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]([H:11])[H:12])[C:4]#[N:5])([H:8])([H:9])[H:10].[C:6](=[N:7][H:15])([H:13])[H:14],"InChI=1S/C5H8N2/c1-5(2-3-6)4-7-5/h7H,2,4H2,1H3/t5-/m1/s1","InChI=1S/C4H5N.CH3N/c1-4(2)3-5;1-2/h1H2,2H3;2H,1H2",78.16931,7.63625,
11921,[C:1]([C@@:2]1([C:3]([C:4]#[N:5])([H:11])[H:12])[C:6]([H:13])([H:14])[N:7]1[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C:4][N:5]([H:14])[C@:6]1([H:13])[N:7]2[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5(2-3-6)4-7-5/h7H,2,4H2,1H3/t5-/m1/s1","InChI=1S/C5H8N2/c1-5-2-3-6-4(5)7-5/h4,6-7H,2H2,1H3/t4-,5-/m1/s1",84.79079,46.42558,
11922,[C:1]([C@@:2]1([C:3]([C:4]#[N:5])([H:11])[H:12])[C:6]([H:13])([H:14])[N:7]1[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([C:3]([N+:5]#[C-:4])([H:11])[H:12])[C:6]([H:13])([H:14])[N:7]1[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5(2-3-6)4-7-5/h7H,2,4H2,1H3/t5-/m1/s1","InChI=1S/C5H8N2/c1-5(3-6-2)4-7-5/h7H,3-4H2,1H3/t5-/m1/s1",58.98712,27.44667,
11923,[C:1]([C@@:2]1([C:3]([C:4]#[N:5])([H:11])[H:12])[C:6]([H:13])([H:14])[N:7]1[H:15])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]([H:11])[H:12])[C:6]([N:7]([C:4]#[N:5])[H:15])([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5(2-3-6)4-7-5/h7H,2,4H2,1H3/t5-/m1/s1","InChI=1S/C5H8N2/c1-5(2)3-7-4-6/h7H,1,3H2,2H3",58.478390000000005,-4.22505,
11924,[C:1]([C@@:2]1([C:3]([C:4]#[N:5])([H:11])[H:12])[C:6]([H:13])([H:14])[N:7]1[H:15])([H:8])([H:9])[H:10],[C:1]([C:6]([N:7]([C:2][C:3]([C:4]#[N:5])([H:11])[H:12])[H:15])([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5(2-3-6)4-7-5/h7H,2,4H2,1H3/t5-/m1/s1","InChI=1S/C5H8N2/c1-2-7-5-3-4-6/h7H,2-3H2,1H3",92.22986999999999,31.346490000000003,
11925,[C:1]([C@@:2]1([C:3]([C:4]#[N:5])([H:11])[H:12])[C:6]([H:13])([H:14])[N:7]1[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([C@@:3]2([H:11])[C:4]([H:12])=[N:5]2)[C:6]([H:13])([H:14])[N:7]1[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5(2-3-6)4-7-5/h7H,2,4H2,1H3/t5-/m1/s1","InChI=1S/C5H8N2/c1-5(3-7-5)4-2-6-4/h2,4,7H,3H2,1H3/t4-,5+/m1/s1",78.62074,42.61587,
11926,[C:1]([C@@:2]1([C:3]([C:4]#[N:5])([H:11])[H:12])[C:6]([H:13])([H:14])[N:7]1[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([C:3]([C:4](=[N-:5])[H:13])([H:11])[H:12])[C+:6]([H:14])[N:7]1[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5(2-3-6)4-7-5/h7H,2,4H2,1H3/t5-/m1/s1","InChI=1S/C5H8N2/c1-5(2-3-6)4-7-5/h3-4,7H,2H2,1H3/t5-/m1/s1",104.66039,97.11563000000001,
11927,[C:1]([C@@:2]1([C:3]([C:4]#[N:5])([H:11])[H:12])[C:6]([H:13])([H:14])[N:7]1[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([C:3](=[C:4]=[N:5][H:12])[H:11])[C:6]([H:13])([H:14])[N:7]1[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5(2-3-6)4-7-5/h7H,2,4H2,1H3/t5-/m1/s1","InChI=1S/C5H8N2/c1-5(2-3-6)4-7-5/h2,6-7H,4H2,1H3/t5-/m1/s1",81.95981,20.89002,
11928,[C:1]([C@@:2]1([C:3]([C:4]#[N:5])([H:11])[H:12])[C:6]([H:13])([H:14])[N:7]1[H:15])([H:8])([H:9])[H:10],[C:1]([N+:7]1([H:15])[C-:2]([C:3]([C:4]#[N:5])([H:11])[H:12])[C:6]1([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5(2-3-6)4-7-5/h7H,2,4H2,1H3/t5-/m1/s1","InChI=1S/C5H8N2/c1-7-4-5(7)2-3-6/h7H,2,4H2,1H3",105.86551000000001,58.2546,
11929,[C:1]([C@@:2]1([C:3]([C:4]#[N:5])([H:11])[H:12])[C:6]([H:13])([H:14])[N:7]1[H:15])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:13].[C:2]1([C:3]([C:4]#[N:5])([H:11])[H:12])=[C:6]([H:14])[N:7]1[H:15],"InChI=1S/C5H8N2/c1-5(2-3-6)4-7-5/h7H,2,4H2,1H3/t5-/m1/s1","InChI=1S/C4H4N2.CH4/c5-2-1-4-3-6-4;/h3,6H,1H2;1H4",116.04032,59.562090000000005,
11930,[C:1]([C@@:2]1([C:3]([C:4]#[N:5])([H:11])[H:12])[C:6]([H:13])([H:14])[N:7]1[H:15])([H:8])([H:9])[H:10],[C:1](/[C:2]([C:6]([N:5]=[C:4]=[C:3]([H:11])[H:12])([H:13])[H:14])=[N:7]\[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5(2-3-6)4-7-5/h7H,2,4H2,1H3/t5-/m1/s1","InChI=1S/C5H8N2/c1-3-7-4-5(2)6/h6H,1,4H2,2H3/b6-5+",60.19454,6.00931,
11931,[C:1]([C@@:2]1([C:3]([C:4]#[N:5])([H:11])[H:12])[C:6]([H:13])([H:14])[N:7]1[H:15])([H:8])([H:9])[H:10],[C:1]([C:2]1([N+:5]#[C-:4])[C:3]([H:11])([H:12])[N:7]([H:15])[C:6]1([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5(2-3-6)4-7-5/h7H,2,4H2,1H3/t5-/m1/s1","InChI=1S/C5H8N2/c1-5(6-2)3-7-4-5/h7H,3-4H2,1H3",85.02308000000001,27.65267,
11932,[C:1]([C@@:2]1([C:3]([C:4]#[N:5])([H:11])[H:12])[C:6]([H:13])([H:14])[N:7]1[H:15])([H:8])([H:9])[H:10],[C:1]([C:2][N:7]([C:6]([C:3]([C:4]#[N:5])([H:11])[H:12])([H:13])[H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5(2-3-6)4-7-5/h7H,2,4H2,1H3/t5-/m1/s1","InChI=1S/C5H8N2/c1-2-7-5-3-4-6/h7H,3,5H2,1H3",100.18059000000001,28.36187,
11933,[N:1]#[C:2][C@@:3]1([H:8])[C@@:4]2([H:9])[C:5]([H:10])([H:11])[C:6]([H:12])([H:13])[N:7]12,[N:1](=[C:2]1/[C@@:3]2([H:8])[C@@:4]3([H:9])[C:5]([H:10])([H:11])[C@:6]1([H:13])[N:7]23)\[H:12],"InChI=1S/C5H6N2/c6-3-5-4-1-2-7(4)5/h4-5H,1-2H2/t4-,5+,7?/m1/s1","InChI=1S/C5H6N2/c6-4-2-1-3-5(4)7(2)3/h2-3,5-6H,1H2/b6-4+/t2-,3+,5+,7?/m0/s1",124.73325,15.35909,
11934,[N:1]#[C:2][C@@:3]1([H:8])[C@@:4]2([H:9])[C:5]([H:10])([H:11])[C:6]([H:12])([H:13])[N:7]12,[N+:1](#[C-:2])[C@@:3]1([H:8])[C@@:4]2([H:9])[C:5]([H:10])([H:11])[C:6]([H:12])([H:13])[N:7]12,"InChI=1S/C5H6N2/c6-3-5-4-1-2-7(4)5/h4-5H,1-2H2/t4-,5+,7?/m1/s1","InChI=1S/C5H6N2/c1-6-5-4-2-3-7(4)5/h4-5H,2-3H2/t4-,5-,7?/m1/s1",57.17586,24.69979,
11935,[N:1]#[C:2][C@@:3]1([H:8])[C@@:4]2([H:9])[C:5]([H:10])([H:11])[C:6]([H:12])([H:13])[N:7]12,[N:1]#[C:2]/[C:3](=[C:4](\[N:7]1[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])[H:9])[H:8],"InChI=1S/C5H6N2/c6-3-5-4-1-2-7(4)5/h4-5H,1-2H2/t4-,5+,7?/m1/s1","InChI=1S/C5H6N2/c6-2-1-3-7-4-5-7/h1,3H,4-5H2/b3-1-",45.86149,-14.599689999999999,
11936,[N:1]#[C:2][C@@:3]1([H:8])[C@@:4]2([H:9])[C:5]([H:10])([H:11])[C:6]([H:12])([H:13])[N:7]12,[N:1]#[C:2][C@@:3]1([H:8])[C@:4]([C:5][H:10])([H:9])[N:7]1[C:6]([H:11])([H:12])[H:13],"InChI=1S/C5H6N2/c6-3-5-4-1-2-7(4)5/h4-5H,1-2H2/t4-,5+,7?/m1/s1","InChI=1S/C5H6N2/c1-4-5(3-6)7(4)2/h1,4-5H,2H3/t4-,5+,7?/m1/s1",81.71006,71.95886,
11937,[N:1]#[C:2][C@@:3]1([H:8])[C@@:4]2([H:9])[C:5]([H:10])([H:11])[C:6]([H:12])([H:13])[N:7]12,[N:1]1([H:11])[C:2][C@@:3]2([H:8])[C@@:4]3([H:9])[C@:5]1([H:10])[C:6]([H:12])([H:13])[N:7]23,"InChI=1S/C5H6N2/c6-3-5-4-1-2-7(4)5/h4-5H,1-2H2/t4-,5+,7?/m1/s1","InChI=1S/C5H6N2/c1-4-5-3(6-1)2-7(4)5/h3-6H,2H2/t3-,4-,5+,7?/m0/s1",79.20796,49.033409999999996,
11938,[N:1]#[C:2][C@@:3]1([H:8])[C@@:4]2([H:9])[C:5]([H:10])([H:11])[C:6]([H:12])([H:13])[N:7]12,[N:1]1=[C:2]2[C@@:3]3([H:8])[C@@:4]([H:9])([C:5]([H:10])([H:11])[C@@:6]12[H:13])[N:7]3[H:12],"InChI=1S/C5H6N2/c6-3-5-4-1-2-7(4)5/h4-5H,1-2H2/t4-,5+,7?/m1/s1","InChI=1S/C5H6N2/c1-2-4(6-2)5-3(1)7-5/h2-4,6H,1H2/t2-,3-,4-/m1/s1",74.36593,26.668779999999998,
11939,[N:1]#[C:2][C@@:3]1([H:8])[C@@:4]2([H:9])[C:5]([H:10])([H:11])[C:6]([H:12])([H:13])[N:7]12,[N:1]#[C:2][C-:3]1[C@@:4]2([H:9])[C:5]([H:10])([H:11])[C:6]([H:12])([H:13])[N+:7]12[H:8],"InChI=1S/C5H6N2/c6-3-5-4-1-2-7(4)5/h4-5H,1-2H2/t4-,5+,7?/m1/s1","InChI=1S/C5H6N2/c6-3-5-4-1-2-7(4)5/h4,7H,1-2H2/t4-/m1/s1",51.80038,34.58076,
11940,[N:1]#[C:2][C@@:3]1([H:8])[C@@:4]2([H:9])[C:5]([H:10])([H:11])[C:6]([H:12])([H:13])[N:7]12,[N:1]#[C:2][C@@:3]1([H:8])[C-:4]2[C:5]([H:10])([H:11])[C:6]([H:12])([H:13])[N+:7]12[H:9],"InChI=1S/C5H6N2/c6-3-5-4-1-2-7(4)5/h4-5H,1-2H2/t4-,5+,7?/m1/s1","InChI=1S/C5H6N2/c6-3-5-4-1-2-7(4)5/h5,7H,1-2H2/t5-/m0/s1",58.0382,48.04253,
11941,[N:1]#[C:2][C@@:3]1([H:8])[C@@:4]2([H:9])[C:5]([H:10])([H:11])[C:6]([H:12])([H:13])[N:7]12,[N:1]1=[C:2]2[C@@:3]3([H:8])[C@:4]2([H:9])[N:7]3[C:6]([H:12])([H:13])[C:5]1([H:10])[H:11],"InChI=1S/C5H6N2/c6-3-5-4-1-2-7(4)5/h4-5H,1-2H2/t4-,5+,7?/m1/s1","InChI=1S/C5H6N2/c1-2-7-4-3(6-1)5(4)7/h4-5H,1-2H2/t4-,5+,7?",100.02793,61.786190000000005,
11942,[N:1]#[C:2][C@@:3]1([H:8])[C@@:4]2([H:9])[C:5]([H:10])([H:11])[C:6]([H:12])([H:13])[N:7]12,[N:1]#[C:2][C@@:3]1([H:8])[C-:4]([H:9])[N+:7]12[C:5]([H:10])([H:11])[C:6]2([H:12])[H:13],"InChI=1S/C5H6N2/c6-3-5-4-1-2-7(4)5/h4-5H,1-2H2/t4-,5+,7?/m1/s1","InChI=1S/C5H6N2/c6-3-5-4-7(5)1-2-7/h4-5H,1-2H2/t5-/m0/s1",81.63315,65.10795,
11943,[N:1]#[C:2][C@@:3]1([H:8])[C@@:4]2([H:9])[C:5]([H:10])([H:11])[C:6]([H:12])([H:13])[N:7]12,[N:1]#[C:2][C:3](=[N+:7]1[C-:4]([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])[H:8],"InChI=1S/C5H6N2/c6-3-5-4-1-2-7(4)5/h4-5H,1-2H2/t4-,5+,7?/m1/s1","InChI=1S/C5H6N2/c6-2-5-7-3-1-4-7/h3,5H,1,4H2",36.067190000000004,2.0887,
11944,[N:1]#[C:2][C@@:3]1([H:8])[C@@:4]2([H:9])[C:5]([H:10])([H:11])[C:6]([H:12])([H:13])[N:7]12,[N:1]#[C:2][C@@:3]1([H:8])[C@:4]([C:5]([C:6][H:12])([H:10])[H:11])([H:9])[N:7]1[H:13],"InChI=1S/C5H6N2/c6-3-5-4-1-2-7(4)5/h4-5H,1-2H2/t4-,5+,7?/m1/s1","InChI=1S/C5H6N2/c1-2-4-5(3-6)7-4/h1,4-5,7H,2H2/t4-,5+/m1/s1",75.66026,75.56781,
11945,[N:1]#[C:2][C@@:3]1([H:8])[C@@:4]2([H:9])[C:5]([H:10])([H:11])[C:6]([H:12])([H:13])[N:7]12,[N:1]#[C:2]/[C:3](=[N:7]/[C:4]1([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])[H:8],"InChI=1S/C5H6N2/c6-3-5-4-1-2-7(4)5/h4-5H,1-2H2/t4-,5+,7?/m1/s1","InChI=1S/C5H6N2/c6-3-4-7-5-1-2-5/h4-5H,1-2H2/b7-4+",58.58286,-18.51884,
11946,[N:1]#[C:2][C@@:3]1([H:8])[C@@:4]2([H:9])[C:5]([H:10])([H:11])[C:6]([H:12])([H:13])[N:7]12,[N:1]#[C:2][C:5]([C@:4]1([H:9])[C:3]([H:8])=[N+:7]1[C-:6]([H:12])[H:13])([H:10])[H:11],"InChI=1S/C5H6N2/c6-3-5-4-1-2-7(4)5/h4-5H,1-2H2/t4-,5+,7?/m1/s1","InChI=1S/C5H6N2/c1-7-4-5(7)2-3-6/h4-5H,1-2H2/t5-/m1/s1",66.04731,29.647640000000003,
11947,[N:1]#[C:2][C@@:3]1([H:8])[C@@:4]2([H:9])[C:5]([H:10])([H:11])[C:6]([H:12])([H:13])[N:7]12,[C:5](=[C:6]([H:12])[H:13])([H:10])[H:11].[N:1]#[C:2][C@@:3]1([H:8])[C:4]([H:9])=[N:7]1,"InChI=1S/C5H6N2/c6-3-5-4-1-2-7(4)5/h4-5H,1-2H2/t4-,5+,7?/m1/s1",InChI=1S/C3H2N2.C2H4/c4-1-3-2-5-3;1-2/h2-3H;1-2H2/t3-;/m0./s1,59.336940000000006,19.63051,
11948,[N:1]#[C:2][C@@:3]1([H:8])[C@@:4]2([H:9])[C:5]([H:10])([H:11])[C:6]([H:12])([H:13])[N:7]12,[N:1]#[C:2]/[C:3](=[N:7]\[C:6]([C:5]([C:4][H:9])([H:10])[H:11])([H:12])[H:13])[H:8],"InChI=1S/C5H6N2/c6-3-5-4-1-2-7(4)5/h4-5H,1-2H2/t4-,5+,7?/m1/s1","InChI=1S/C5H6N2/c1-2-4-7-5-3-6/h1,5H,2,4H2/b7-5-",60.95819,62.19385,
11949,[N:1]#[C:2][C@@:3]1([H:8])[C@@:4]2([H:9])[C:5]([H:10])([H:11])[C:6]([H:12])([H:13])[N:7]12,[N:1]#[C:2][C@@:3]([C:4](=[C:5]([H:10])[H:11])[H:9])([N:7]=[C:6]([H:12])[H:13])[H:8],"InChI=1S/C5H6N2/c6-3-5-4-1-2-7(4)5/h4-5H,1-2H2/t4-,5+,7?/m1/s1","InChI=1S/C5H6N2/c1-3-5(4-6)7-2/h3,5H,1-2H2/t5-/m1/s1",48.83493,-18.279770000000003,
11950,[N:1]#[C:2][C@@:3]1([H:8])[C@@:4]2([H:9])[C:5]([H:10])([H:11])[C:6]([H:12])([H:13])[N:7]12,[N:1]#[C:2][C@:3]1([H:8])[C@@:4]2([H:9])[C@:5]1([H:11])[C:6]([H:12])([H:13])[N:7]2[H:10],"InChI=1S/C5H6N2/c6-3-5-4-1-2-7(4)5/h4-5H,1-2H2/t4-,5+,7?/m1/s1","InChI=1S/C5H6N2/c6-1-3-4-2-7-5(3)4/h3-5,7H,2H2/t3-,4+,5-/m0/s1",92.61908000000001,0.9874299999999999,
11951,[N:1]#[C:2][C@@:3]1([H:8])[C@@:4]2([H:9])[C:5]([H:10])([H:11])[C:6]([H:12])([H:13])[N:7]12,[N:1]#[C:2][N+:7]12[C-:3]([H:8])[C@@:4]1([H:9])[C:5]([H:10])([H:11])[C:6]2([H:12])[H:13],"InChI=1S/C5H6N2/c6-3-5-4-1-2-7(4)5/h4-5H,1-2H2/t4-,5+,7?/m1/s1","InChI=1S/C5H6N2/c6-4-7-2-1-5(7)3-7/h3,5H,1-2H2/t5-,7?/m1/s1",76.80688,64.44601,
11952,[N:1]#[C:2][C@@:3]1([H:8])[C@@:4]2([H:9])[C:5]([H:10])([H:11])[C:6]([H:12])([H:13])[N:7]12,[N:1]1=[C:2]=[C:3]([H:8])[N:7]2[C@:4]1([H:9])[C:5]([H:10])([H:11])[C:6]2([H:12])[H:13],"InChI=1S/C5H6N2/c6-3-5-4-1-2-7(4)5/h4-5H,1-2H2/t4-,5+,7?/m1/s1","InChI=1S/C5H6N2/c1-3-7-4-2-6-5(1)7/h4-5H,1,3H2/t5-/m1/s1",84.44929,45.40262,
11953,[C:1]([n:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([N:6]([H:13])[H:14])[c:7]1[H:15])([H:8])([H:9])[H:10],[C-:1]([N+:2]1=[C:7]([H:15])[C@@:5]([N:6]([H:13])[H:14])([H:8])[C:4]([H:12])=[C:3]1[H:11])([H:9])[H:10],"InChI=1S/C5H8N2/c1-7-3-2-5(6)4-7/h2-4H,6H2,1H3","InChI=1S/C5H8N2/c1-7-3-2-5(6)4-7/h2-5H,1,6H2/t5-/m1/s1",95.46446999999999,52.47923,
11954,[C:1]([n:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([N:6]([H:13])[H:14])[c:7]1[H:15])([H:8])([H:9])[H:10],[C:1]([C@:3]1([H:11])[N:2]=[C:7]([H:15])[C:5]([N:6]([H:13])[H:14])=[C:4]1[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-7-3-2-5(6)4-7/h2-4H,6H2,1H3","InChI=1S/C5H8N2/c1-4-2-5(6)3-7-4/h2-4H,6H2,1H3/t4-/m0/s1",49.37854,2.62129,
11955,[C:1]([n:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([N:6]([H:13])[H:14])[c:7]1[H:15])([H:8])([H:9])[H:10],[C:1]([N:2]1[C:3]([H:11])([H:12])[C-:4]=[C:5]([N:6]([H:13])[H:14])[C+:7]1[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-7-3-2-5(6)4-7/h2-4H,6H2,1H3","InChI=1S/C5H8N2/c1-7-3-2-5(6)4-7/h4H,3,6H2,1H3",68.01120999999999,64.24265,Singlet_Carbene_Intra_Disproportionation
11956,[C:1]([n:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([N:6]([H:13])[H:14])[c:7]1[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:7]1([H:15])[N:2]=[C:3]([H:11])[C:4]([H:12])=[C:5]1[N:6]([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-7-3-2-5(6)4-7/h2-4H,6H2,1H3","InChI=1S/C5H8N2/c1-4-5(6)2-3-7-4/h2-4H,6H2,1H3/t4-/m1/s1",55.43838,-1.1202,
11957,[C:1]([n:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([N:6]([H:13])[H:14])[c:7]1[H:15])([H:8])([H:9])[H:10],[C-:1]([N+:2]1([H:8])[C:3]([H:11])=[C:4]([H:12])[C:5]([N:6]([H:13])[H:14])=[C:7]1[H:15])([H:9])[H:10],"InChI=1S/C5H8N2/c1-7-3-2-5(6)4-7/h2-4H,6H2,1H3","InChI=1S/C5H8N2/c1-7-3-2-5(6)4-7/h2-4,7H,1,6H2",90.83498,87.33196,
11958,[C:1]([n:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([N:6]([H:13])[H:14])[c:7]1[H:15])([H:8])([H:9])[H:10],[C:1](/[N:2]=[C:3](/[C@@:4]1([H:12])[C:5]([N:6]([H:13])[H:14])=[C:7]1[H:15])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-7-3-2-5(6)4-7/h2-4H,6H2,1H3","InChI=1S/C5H8N2/c1-7-3-4-2-5(4)6/h2-4H,6H2,1H3/b7-3+/t4-/m0/s1",81.6637,52.83668,
11959,[C:1]([n:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([N:6]([H:13])[H:14])[c:7]1[H:15])([H:8])([H:9])[H:10],[C:1]([N+:2]1=[C:7]([H:15])[C:5](=[N:6][H:14])[C:4]([H:12])([H:13])[C-:3]1[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-7-3-2-5(6)4-7/h2-4H,6H2,1H3","InChI=1S/C5H8N2/c1-7-3-2-5(6)4-7/h3-4,6H,2H2,1H3",73.66585,32.69441,
11960,[C:1]([n:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([N:6]([H:13])[H:14])[c:7]1[H:15])([H:8])([H:9])[H:10],[C:1](/[N:2]=[C:7](/[C:5](=[C:4]=[C:3]([H:11])[H:12])[N:6]([H:13])[H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-7-3-2-5(6)4-7/h2-4H,6H2,1H3","InChI=1S/C5H8N2/c1-3-5(6)4-7-2/h4H,1,6H2,2H3/b7-4+",68.51918,36.39532,
11961,[C:1]([n:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([N:6]([H:13])[H:14])[c:7]1[H:15])([H:8])([H:9])[H:10],[C:1]([N:2]1[C:3]([H:11])=[C-:4][C@@:5]([N:6]([H:13])[H:14])([H:12])[C+:7]1[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-7-3-2-5(6)4-7/h2-4H,6H2,1H3","InChI=1S/C5H8N2/c1-7-3-2-5(6)4-7/h3-5H,6H2,1H3/t5-/m0/s1",78.72272,80.77503,
11962,[C:1]([n:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([N:6]([H:13])[H:14])[c:7]1[H:15])([H:8])([H:9])[H:10],[C:1]([N+:2]1([H:11])[C-:3]=[C:4]([H:12])[C:5]([N:6]([H:13])[H:14])=[C:7]1[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-7-3-2-5(6)4-7/h2-4H,6H2,1H3","InChI=1S/C5H8N2/c1-7-3-2-5(6)4-7/h2,4,7H,6H2,1H3",79.27835,69.25173000000001,
11963,[C:1]([n:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([N:6]([H:13])[H:14])[c:7]1[H:15])([H:8])([H:9])[H:10],[C:1]([N:2]1[C:3]([H:11])=[C:4]([H:12])/[C:5](=[N:6]\[H:13])[C:7]1([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-7-3-2-5(6)4-7/h2-4H,6H2,1H3","InChI=1S/C5H8N2/c1-7-3-2-5(6)4-7/h2-3,6H,4H2,1H3/b6-5+",64.65032,8.02412,
11964,[C:1]([n:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([N:6]([H:13])[H:14])[c:7]1[H:15])([H:8])([H:9])[H:10],[C:1]([N:2]1[C:3]([H:11])=[C:4]=[C:5]([N+:6]([H:12])([H:13])[H:14])[C-:7]1[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-7-3-2-5(6)4-7/h2-4H,6H2,1H3","InChI=1S/C5H7N2/c1-7-3-2-5(6)4-7/h3-4H,6H2,1H3/q-1/p+1",76.93341,77.29526,
11965,[C:1]([n:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([N:6]([H:13])[H:14])[c:7]1[H:15])([H:8])([H:9])[H:10],[C:1]([N+:2]1([H:15])[C:3]([H:11])=[C:4]([H:12])[C:5]([N:6]([H:13])[H:14])=[C-:7]1)([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-7-3-2-5(6)4-7/h2-4H,6H2,1H3","InChI=1S/C5H8N2/c1-7-3-2-5(6)4-7/h2-3,7H,6H2,1H3",81.15859,74.72747,
11966,[C:1]([n:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([N:6]([H:13])[H:14])[c:7]1[H:15])([H:8])([H:9])[H:10],[C:1]([N:2]1[C:3]([H:11])=[C:4]([H:12])[N+:6]([H:13])([H:14])[C-:5]=[C:7]1[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-7-3-2-5(6)4-7/h2-4H,6H2,1H3","InChI=1S/C5H8N2/c1-7-4-2-6-3-5-7/h2,4-5H,6H2,1H3",99.35445,81.70855,
11967,[C:1]([n:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([N:6]([H:13])[H:14])[c:7]1[H:15])([H:8])([H:9])[H:10],[C-:1]([N+:2]1=[C:3]([H:11])[C:4]([H:12])=[C:5]([N:6]([H:13])[H:14])[C:7]1([H:8])[H:15])([H:9])[H:10],"InChI=1S/C5H8N2/c1-7-3-2-5(6)4-7/h2-4H,6H2,1H3","InChI=1S/C5H8N2/c1-7-3-2-5(6)4-7/h2-3H,1,4,6H2",77.58528000000001,43.22579,
11968,[C:1]([n:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([N:6]([H:13])[H:14])[c:7]1[H:15])([H:8])([H:9])[H:10],[C:1]([N:2]1[C:3]([H:11])=[C:4]=[C:5]([N:6]([H:13])[H:14])[C:7]1([H:12])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-7-3-2-5(6)4-7/h2-4H,6H2,1H3","InChI=1S/C5H8N2/c1-7-3-2-5(6)4-7/h3H,4,6H2,1H3",85.26965,51.0156,
11969,[C:1]([n:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([N:6]([H:13])[H:14])[c:7]1[H:15])([H:8])([H:9])[H:10],[C:1](/[N:2]=[C:3](/[C:4](=[C:5]=[C:7]([N:6]([H:13])[H:14])[H:15])[H:12])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-7-3-2-5(6)4-7/h2-4H,6H2,1H3","InChI=1S/C5H8N2/c1-7-5-3-2-4-6/h3-5H,6H2,1H3/b7-5+",84.95756999999999,36.785540000000005,
11970,[C:1]([n:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([N:6]([H:13])[H:14])[c:7]1[H:15])([H:8])([H:9])[H:10],[C:1]([N:2]=[C:3]([C:4](=[C:5]1[N+:6]([H:13])([H:14])[C-:7]1[H:15])[H:12])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-7-3-2-5(6)4-7/h2-4H,6H2,1H3","InChI=1S/C5H8N2/c1-6-3-2-5-4-7-5/h2-4H,7H2,1H3",85.08879,84.64279,
11971,[C:1]([n:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([N:6]([H:13])[H:14])[c:7]1[H:15])([H:8])([H:9])[H:10],[C-:1]([N+:2]1=[C:3]=[C:4]([H:12])[C:5]([N:6]([H:13])[H:14])=[C:7]1[H:15])([H:9])[H:10].[H:8][H:11],"InChI=1S/C5H8N2/c1-7-3-2-5(6)4-7/h2-4H,6H2,1H3","InChI=1S/C5H6N2.H2/c1-7-3-2-5(6)4-7;/h2,4H,1,6H2;1H",99.19631,85.71042,
11972,[C:1]([n:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([N:6]([H:13])[H:14])[c:7]1[H:15])([H:8])([H:9])[H:10],[C-:1]([N+:2]1=[C:7]([H:15])[C:5]([N:6]([H:13])[H:14])=[C:4]([H:12])[C:3]1([H:8])[H:11])([H:9])[H:10],"InChI=1S/C5H8N2/c1-7-3-2-5(6)4-7/h2-4H,6H2,1H3","InChI=1S/C5H8N2/c1-7-3-2-5(6)4-7/h2,4H,1,3,6H2",81.68509,39.2605,
11974,[C:1]([n:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([N:6]([H:13])[H:14])[c:7]1[H:15])([H:8])([H:9])[H:10],[C-:1]([N+:2]1=[C:7]=[C:5]([N:6]([H:13])[H:14])[C:4]([H:12])=[C:3]1[H:11])([H:9])[H:10].[H:8][H:15],"InChI=1S/C5H8N2/c1-7-3-2-5(6)4-7/h2-4H,6H2,1H3","InChI=1S/C5H6N2.H2/c1-7-3-2-5(6)4-7;/h2-3H,1,6H2;1H",96.96110999999999,90.53687,
11975,[O:1]=[C:2]1[C:3]([H:8])([H:9])[N:4]2[C:5]([H:10])([H:11])[C:6]1([H:12])[C:7]2([H:13])[H:14],[O-:1][C:2]1=[C:3]([H:8])[N+:4]2([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[C:7]2([H:13])[H:14],"InChI=1S/C5H7NO/c7-5-3-6-1-4(5)2-6/h4H,1-3H2","InChI=1S/C5H7NO/c7-5-3-6-1-4(5)2-6/h3-4,7H,1-2H2",71.27995,35.019709999999996,
11976,[O:1]=[C:2]1[C:3]([H:8])([H:9])[N:4]2[C:5]([H:10])([H:11])[C:6]1([H:12])[C:7]2([H:13])[H:14],[O:1]([C@@:2]12[C:3]([H:8])([H:9])[N:4]3[C@:5]1([H:11])[C@:6]2([H:12])[C:7]3([H:13])[H:14])[H:10],"InChI=1S/C5H7NO/c7-5-3-6-1-4(5)2-6/h4H,1-3H2","InChI=1S/C5H7NO/c7-5-2-6-1-3(5)4(5)6/h3-4,7H,1-2H2/t3-,4+,5+/m0/s1",100.60615,37.87188,
11977,[O:1]=[C:2]1[C:3]([H:8])([H:9])[N:4]2[C:5]([H:10])([H:11])[C:6]1([H:12])[C:7]2([H:13])[H:14],[O:1]([C:2]1=[C:6]2[C:5]([H:10])([H:11])[N:4]([C:3]1([H:8])[H:9])[C:7]2([H:13])[H:14])[H:12],"InChI=1S/C5H7NO/c7-5-3-6-1-4(5)2-6/h4H,1-3H2","InChI=1S/C5H7NO/c7-5-3-6-1-4(5)2-6/h7H,1-3H2",81.73958,69.01513,ketoenol
11978,[O:1]=[C:2]1[C:3]([H:8])([H:9])[N:4]2[C:5]([H:10])([H:11])[C:6]1([H:12])[C:7]2([H:13])[H:14],[O:1]=[C:2]1[C:3]([H:8])([H:9])[N+:4]2([H:14])[C:5]([H:10])([H:11])[C@:6]1([H:12])[C-:7]2[H:13],"InChI=1S/C5H7NO/c7-5-3-6-1-4(5)2-6/h4H,1-3H2","InChI=1S/C5H7NO/c7-5-3-6-1-4(5)2-6/h1,4,6H,2-3H2/t4-/m0/s1",72.68731,55.66353,
11979,[O:1]=[C:2]1[C:3]([H:8])([H:9])[N:4]2[C:5]([H:10])([H:11])[C:6]1([H:12])[C:7]2([H:13])[H:14],[O:1]=[C:2]1[C:3]([H:8])([H:9])[N:4]([H:14])[C:5]([H:10])([H:11])[C@@:6]1([C:7][H:13])[H:12],"InChI=1S/C5H7NO/c7-5-3-6-1-4(5)2-6/h4H,1-3H2","InChI=1S/C5H7NO/c1-4-2-6-3-5(4)7/h1,4,6H,2-3H2/t4-/m0/s1",72.68674,56.04234,
11980,[O:1]=[C:2]1[C:3]([H:8])([H:9])[N:4]2[C:5]([H:10])([H:11])[C:6]1([H:12])[C:7]2([H:13])[H:14],[O+:1]1=[C-:2][C:6]2([H:12])[C:5]([H:10])([H:11])[N:4]([C:3]1([H:8])[H:9])[C:7]2([H:13])[H:14],"InChI=1S/C5H7NO/c7-5-3-6-1-4(5)2-6/h4H,1-3H2","InChI=1S/C5H7NO/c1-5-2-6(1)4-7-3-5/h5H,1-2,4H2",56.35021999999999,53.23676999999999,
11981,[O:1]=[C:2]1[C:3]([H:8])([H:9])[N:4]2[C:5]([H:10])([H:11])[C:6]1([H:12])[C:7]2([H:13])[H:14],[O:1]=[C:2]([C:3]([N:4]1[C:5]([H:10])([H:11])[C:6]([H:12])=[C:7]1[H:13])([H:8])[H:9])[H:14],"InChI=1S/C5H7NO/c7-5-3-6-1-4(5)2-6/h4H,1-3H2","InChI=1S/C5H7NO/c7-5-4-6-2-1-3-6/h1-2,5H,3-4H2",74.74096,11.66671,
11982,[O:1]=[C:2]1[C:3]([H:8])([H:9])[N:4]2[C:5]([H:10])([H:11])[C:6]1([H:12])[C:7]2([H:13])[H:14],[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:5]([H:10])([H:11])[C@@:6]1([C:7]([N:4])([H:13])[H:14])[H:12],"InChI=1S/C5H7NO/c7-5-3-6-1-4(5)2-6/h4H,1-3H2","InChI=1S/C5H7NO/c6-3-4-1-2-5(4)7/h4H,1-3H2/t4-/m1/s1",111.13443000000001,51.38921,
11983,[O:1]=[C:2]1[C:3]([H:8])([H:9])[N:4]2[C:5]([H:10])([H:11])[C:6]1([H:12])[C:7]2([H:13])[H:14],[O:1]=[C:2]([C:3]([N:4])([H:8])[H:9])[C:6]1([H:12])[C:5]([H:10])([H:11])[C:7]1([H:13])[H:14],"InChI=1S/C5H7NO/c7-5-3-6-1-4(5)2-6/h4H,1-3H2","InChI=1S/C5H7NO/c6-3-5(7)4-1-2-4/h4H,1-3H2",100.08828000000001,50.662290000000006,
11984,[O:1]=[C:2]1[C:3]([H:8])([H:9])[N:4]2[C:5]([H:10])([H:11])[C:6]1([H:12])[C:7]2([H:13])[H:14],[H:10][H:12].[O:1]=[C:2]1[C:3]([H:8])([H:9])[N:4]2[C:5]([H:11])=[C:6]1[C:7]2([H:13])[H:14],"InChI=1S/C5H7NO/c7-5-3-6-1-4(5)2-6/h4H,1-3H2","InChI=1S/C5H5NO.H2/c7-5-3-6-1-4(5)2-6;/h1H,2-3H2;1H",125.51632,105.32479,
11985,[O:1]=[C:2]1[C:3]([H:8])([H:9])[N:4]2[C:5]([H:10])([H:11])[C:6]1([H:12])[C:7]2([H:13])[H:14],[O:1]([C:2]1=[C:3]([H:9])[N:4]2[C:5]([H:10])([H:11])[C:6]1([H:12])[C:7]2([H:13])[H:14])[H:8],"InChI=1S/C5H7NO/c7-5-3-6-1-4(5)2-6/h4H,1-3H2","InChI=1S/C5H7NO/c7-5-3-6-1-4(5)2-6/h3-4,7H,1-2H2",80.68238000000001,24.52141,ketoenol
11986,[O:1]=[C:2]1[C:3]([H:8])([H:9])[N:4]2[C:5]([H:10])([H:11])[C:6]1([H:12])[C:7]2([H:13])[H:14],[O-:1][C:2]1=[C:6]([H:12])[C:7]([H:13])([H:14])[N+:4](=[C:5]([H:10])[H:11])[C:3]1([H:8])[H:9],"InChI=1S/C5H7NO/c7-5-3-6-1-4(5)2-6/h4H,1-3H2","InChI=1S/C5H7NO/c1-6-3-2-5(7)4-6/h2H,1,3-4H2",25.70845,9.11237,
11987,[O:1]=[C:2]1[C:3]([H:8])([H:9])[N:4]2[C:5]([H:10])([H:11])[C:6]1([H:12])[C:7]2([H:13])[H:14],[O:1]=[C:2]=[C:3]([N:4]1[C:5]([H:10])([H:11])[C:6]([H:8])([H:12])[C:7]1([H:13])[H:14])[H:9],"InChI=1S/C5H7NO/c7-5-3-6-1-4(5)2-6/h4H,1-3H2","InChI=1S/C5H7NO/c7-5-4-6-2-1-3-6/h4H,1-3H2",86.74735,5.48054,
11988,[O:1]=[C:2]1[C:3]([H:8])([H:9])[N:4]2[C:5]([H:10])([H:11])[C:6]1([H:12])[C:7]2([H:13])[H:14],[O+:1]1=[C:2]2[C:3]([H:8])([H:9])[N:4]([C-:7]([H:13])[H:14])[C:5]([H:10])([H:11])[C@@:6]12[H:12],"InChI=1S/C5H7NO/c7-5-3-6-1-4(5)2-6/h4H,1-3H2","InChI=1S/C5H7NO/c1-6-2-4-5(3-6)7-4/h4H,1-3H2/t4-/m1/s1",82.4009,62.37803,
11989,[O:1]=[C:2]1[C:3]([H:8])([H:9])[N:4]2[C:5]([H:10])([H:11])[C:6]1([H:12])[C:7]2([H:13])[H:14],[O:1]=[C:2]([C:3]([N+:4]12[C:5]([H:10])([H:11])[C-:6]1[C:7]2([H:13])[H:14])([H:8])[H:9])[H:12],"InChI=1S/C5H7NO/c7-5-3-6-1-4(5)2-6/h4H,1-3H2","InChI=1S/C5H7NO/c7-2-1-6-3-5(6)4-6/h2H,1,3-4H2",72.30674,69.49707,
11990,[O:1]=[C:2]1[C:3]([H:8])([H:9])[N:4]2[C:5]([H:10])([H:11])[C:6]1([H:12])[C:7]2([H:13])[H:14],[H:8][H:10].[O:1]=[C:2]1[C:3]([H:9])=[N:4][C@@:5]2([H:11])[C@:6]1([H:12])[C:7]2([H:13])[H:14],"InChI=1S/C5H7NO/c7-5-3-6-1-4(5)2-6/h4H,1-3H2","InChI=1S/C5H5NO.H2/c7-5-2-6-4-1-3(4)5;/h2-4H,1H2;1H/t3-,4+;/m0./s1",81.30679,1.74944,
11991,[O:1]=[C:2]1[C:3]([H:8])([H:9])[N:4]2[C:5]([H:10])([H:11])[C:6]1([H:12])[C:7]2([H:13])[H:14],[O:1]=[C:2]([C:3]([N:4]=[C:7]([H:13])[H:14])([H:8])[H:9])[C:6](=[C:5]([H:10])[H:11])[H:12],"InChI=1S/C5H7NO/c7-5-3-6-1-4(5)2-6/h4H,1-3H2","InChI=1S/C5H7NO/c1-3-5(7)4-6-2/h3H,1-2,4H2",33.530570000000004,-13.66276,
11992,[O:1]=[C:2]1[C:3]([H:8])([H:9])[N:4]2[C:5]([H:10])([H:11])[C:6]1([H:12])[C:7]2([H:13])[H:14],[O-:1][C:2](=[C+:3][H:8])[C:6]1([H:12])[C:5]([H:10])([H:11])[N:4]([H:9])[C:7]1([H:13])[H:14],"InChI=1S/C5H7NO/c7-5-3-6-1-4(5)2-6/h4H,1-3H2","InChI=1S/C5H7NO/c1-4(7)5-2-6-3-5/h1,5-6H,2-3H2",68.74001,65.49172,
11993,[C:1]([n:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([H:13])[c:6]1[N:7]([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([C@:3]1([H:11])[N:2]=[C:6]([N:7]([H:14])[H:15])[C:5]([H:13])=[C:4]1[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-7-4-2-3-5(7)6/h2-4H,6H2,1H3","InChI=1S/C5H8N2/c1-4-2-3-5(6)7-4/h2-4H,1H3,(H2,6,7)/t4-/m0/s1",54.57921999999999,-1.8844599999999998,
11994,[C:1]([n:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([H:13])[c:6]1[N:7]([H:14])[H:15])([H:8])([H:9])[H:10],[C:1](/[N:2]=[C:6](/[C:5]1([H:13])[C:3]([H:11])=[C:4]1[H:12])[N:7]([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-7-4-2-3-5(7)6/h2-4H,6H2,1H3","InChI=1S/C5H8N2/c1-7-5(6)4-2-3-4/h2-4H,1H3,(H2,6,7)",94.80864,52.03652,
11995,[C:1]([n:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([H:13])[c:6]1[N:7]([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([N:2]1[C:3]([H:11])=[C:4]1[H:12])([H:8])([H:9])[H:10].[C:5](#[C:6][N:7]([H:14])[H:15])[H:13],"InChI=1S/C5H8N2/c1-7-4-2-3-5(7)6/h2-4H,6H2,1H3","InChI=1S/C3H5N.C2H3N/c1-4-2-3-4;1-2-3/h2-3H,1H3;1H,3H2",137.46658,131.13038999999998,
11996,[C:1]([n:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([H:13])[c:6]1[N:7]([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([N:2]1[C:3]([H:11])([H:12])[C-:4]=[C:5]([H:13])[C+:6]1[N:7]([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-7-4-2-3-5(7)6/h2-4H,6H2,1H3","InChI=1S/C5H8N2/c1-7-4-2-3-5(7)6/h3H,4,6H2,1H3",66.74211,56.00166,Singlet_Carbene_Intra_Disproportionation
11997,[C:1]([n:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([H:13])[c:6]1[N:7]([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([N:2]1[C@:3]2([H:11])[C:4]([H:12])=[C:5]([H:13])[C@:6]12[N:7]([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-7-4-2-3-5(7)6/h2-4H,6H2,1H3","InChI=1S/C5H8N2/c1-7-4-2-3-5(4,7)6/h2-4H,6H2,1H3/t4-,5+,7?/m1/s1",89.33528000000001,77.06455,Intra_2+2_cycloaddition_Cd
11998,[C:1]([n:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([H:13])[c:6]1[N:7]([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]1([H:8])([H:9])[N:2]2[C@@:3]1([H:11])[C:4]([H:12])=[C:5]([H:13])[C@:6]2([N:7]([H:14])[H:15])[H:10],"InChI=1S/C5H8N2/c1-7-4-2-3-5(7)6/h2-4H,6H2,1H3","InChI=1S/C5H8N2/c6-5-2-1-4-3-7(4)5/h1-2,4-5H,3,6H2/t4-,5-,7?/m0/s1",101.33229,38.35781,
11999,[C:1]([n:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([H:13])[c:6]1[N:7]([H:14])[H:15])([H:8])([H:9])[H:10],[C-:1]([N+:2]1=[C:3]([H:11])[C:4]([H:12])=[C:5]([H:13])[C@:6]1([N:7]([H:14])[H:15])[H:10])([H:8])[H:9],"InChI=1S/C5H8N2/c1-7-4-2-3-5(7)6/h2-4H,6H2,1H3","InChI=1S/C5H8N2/c1-7-4-2-3-5(7)6/h2-5H,1,6H2/t5-/m0/s1",91.71068000000001,45.1474,
12000,[C:1]([n:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([H:13])[c:6]1[N:7]([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([N+:2]1([H:11])[C-:3]=[C:4]([H:12])[C:5]([H:13])=[C:6]1[N:7]([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-7-4-2-3-5(7)6/h2-4H,6H2,1H3","InChI=1S/C5H8N2/c1-7-4-2-3-5(7)6/h2-3,7H,6H2,1H3",83.68148000000001,76.8141,
12001,[C:1]([n:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([H:13])[c:6]1[N:7]([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([N:2]1[C:3]([H:11])([H:15])[C:4]([H:12])=[C:5]([H:13])/[C:6]1=[N:7]\[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-7-4-2-3-5(7)6/h2-4H,6H2,1H3","InChI=1S/C5H8N2/c1-7-4-2-3-5(7)6/h2-3,6H,4H2,1H3/b6-5+",84.09201,5.77381,
12002,[C:1]([n:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([H:13])[c:6]1[N:7]([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([C@:5]1([H:13])[C:4]([H:12])=[C:3]([H:11])[N:2]=[C:6]1[N:7]([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-7-4-2-3-5(7)6/h2-4H,6H2,1H3","InChI=1S/C5H8N2/c1-4-2-3-7-5(4)6/h2-4H,1H3,(H2,6,7)/t4-/m1/s1",43.20562,0.29789,
12003,[C:1]([n:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([H:13])[c:6]1[N:7]([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([N:2]1[C:3]([H:11])=[C:4]([H:12])[C:5]([H:13])([H:14])/[C:6]1=[N:7]\[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-7-4-2-3-5(7)6/h2-4H,6H2,1H3","InChI=1S/C5H8N2/c1-7-4-2-3-5(7)6/h2,4,6H,3H2,1H3/b6-5+",66.06161,5.29095,
12004,[C:1]([n:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([H:13])[c:6]1[N:7]([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([N+:2]1([H:15])[C-:3]([H:11])[C:4]([H:12])=[C:5]([H:13])[C:6]1=[N:7][H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-7-4-2-3-5(7)6/h2-4H,6H2,1H3","InChI=1S/C5H8N2/c1-7-4-2-3-5(7)6/h2-4,6-7H,1H3",67.78676,42.91158,
12005,[C:1]([n:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([H:13])[c:6]1[N:7]([H:14])[H:15])([H:8])([H:9])[H:10],[C-:1]([N+:2]1=[C:3]([H:11])[C:4]([H:10])([H:12])[C:5]([H:13])=[C:6]1[N:7]([H:14])[H:15])([H:8])[H:9],"InChI=1S/C5H8N2/c1-7-4-2-3-5(7)6/h2-4H,6H2,1H3","InChI=1S/C5H8N2/c1-7-4-2-3-5(7)6/h3-4H,1-2,6H2",93.53976,46.84375,
12006,[C:1]([n:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([H:13])[c:6]1[N:7]([H:14])[H:15])([H:8])([H:9])[H:10],[C-:1]([N+:2]1=[C:6]([N:7]([H:14])[H:15])[C:5]([H:13])=[C:4]([H:12])[C:3]1([H:10])[H:11])([H:8])[H:9],"InChI=1S/C5H8N2/c1-7-4-2-3-5(7)6/h2-4H,6H2,1H3","InChI=1S/C5H8N2/c1-7-4-2-3-5(7)6/h2-3H,1,4,6H2",74.78676999999999,43.33324,
12007,[C:1]([n:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([H:13])[c:6]1[N:7]([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([N:2]1[C+:3]([H:11])[C:4]([H:12])([H:13])[C-:5]=[C:6]1[N:7]([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-7-4-2-3-5(7)6/h2-4H,6H2,1H3","InChI=1S/C5H8N2/c1-7-4-2-3-5(7)6/h4H,2,6H2,1H3",75.12976,74.95611,
12008,[C:1]([n:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([H:13])[c:6]1[N:7]([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([N:2]1[C+:3]([H:11])[C:4]([H:12])=[C-:5][C@:6]1([N:7]([H:14])[H:15])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-7-4-2-3-5(7)6/h2-4H,6H2,1H3","InChI=1S/C5H8N2/c1-7-4-2-3-5(7)6/h2,4-5H,6H2,1H3/t5-/m0/s1",71.13824,69.74815,Singlet_Carbene_Intra_Disproportionation
12009,[C:1]([n:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([H:13])[c:6]1[N:7]([H:14])[H:15])([H:8])([H:9])[H:10],[C-:1]([N+:2]1=[C:6]([N:7]([H:14])[H:15])[C:5]([H:10])([H:13])[C:4]([H:12])=[C:3]1[H:11])([H:8])[H:9],"InChI=1S/C5H8N2/c1-7-4-2-3-5(7)6/h2-4H,6H2,1H3","InChI=1S/C5H8N2/c1-7-4-2-3-5(7)6/h2,4H,1,3,6H2",94.0507,49.42965,
12010,[C:1]([n:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([H:13])[c:6]1[N:7]([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([C@:6]1([N:7]([H:14])[H:15])[N:2]=[C:3]([H:11])[C:4]([H:12])=[C:5]1[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-7-4-2-3-5(7)6/h2-4H,6H2,1H3","InChI=1S/C5H8N2/c1-5(6)3-2-4-7-5/h2-4H,6H2,1H3/t5-/m0/s1",53.390519999999995,10.06986,
12011,[C:1]([n:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([H:13])[c:6]1[N:7]([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([N:2]1[C:3]([H:11])=[C-:4][C:5]([H:12])([H:13])[C+:6]1[N:7]([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-7-4-2-3-5(7)6/h2-4H,6H2,1H3","InChI=1S/C5H8N2/c1-7-4-2-3-5(7)6/h4H,3,6H2,1H3",76.10323000000001,68.31503000000001,
12012,[C:1]([n:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([H:13])[c:6]1[N:7]([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([N:2]1[C-:3]([H:11])[C:4]([H:12])=[C:5]=[C:6]1[N+:7]([H:13])([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-7-4-2-3-5(7)6/h2-4H,6H2,1H3","InChI=1S/C5H7N2/c1-7-4-2-3-5(7)6/h2,4H,6H2,1H3/q-1/p+1",85.73671,86.77016,
12013,[C:1]([n:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([H:13])[c:6]1[N:7]([H:14])[H:15])([H:8])([H:9])[H:10],[C:1](/[N:2]=[C:3]([C:4](=[C:5](/[C:6][N:7]([H:14])[H:15])[H:13])\[H:12])/[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-7-4-2-3-5(7)6/h2-4H,6H2,1H3","InChI=1S/C5H8N2/c1-7-5-3-2-4-6/h2-3,5H,6H2,1H3/b3-2-,7-5-",65.13314,66.08051999999999,
12014,[C:1]([n:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([H:13])[c:6]1[N:7]([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([N+:7]([c-:6]1[n:2][c:3]([H:11])[c:4]([H:12])[c:5]1[H:13])([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-7-4-2-3-5(7)6/h2-4H,6H2,1H3","InChI=1S/C5H8N2/c1-6-5-3-2-4-7-5/h2-4H,6H2,1H3",74.64036,38.25258,
12015,[C:1]([n:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([H:13])[c:6]1[N:7]([H:14])[H:15])([H:8])([H:9])[H:10],[C-:1]([N+:2]1=[C:3]=[C:4]([H:12])[C:5]([H:13])=[C:6]1[N:7]([H:14])[H:15])([H:8])[H:9].[H:10][H:11],"InChI=1S/C5H8N2/c1-7-4-2-3-5(7)6/h2-4H,6H2,1H3","InChI=1S/C5H6N2.H2/c1-7-4-2-3-5(7)6;/h2-3H,1,6H2;1H",103.51675,99.48353,
12016,[C:1]([n:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([H:13])[c:6]1[N:7]([H:14])[H:15])([H:8])([H:9])[H:10],[C:1](/[N:2]=[C:6](/[C:5](=[C:4]=[C:3]([H:11])[H:12])[H:13])[N:7]([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-7-4-2-3-5(7)6/h2-4H,6H2,1H3","InChI=1S/C5H8N2/c1-3-4-5(6)7-2/h4H,1H2,2H3,(H2,6,7)",91.12268,30.18835,
12017,[C:1]([O:2][C:3]([C@@:4]([O:5][H:14])([C:6]([O:7][H:17])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][H:14])([H:8])([H:9])[H:10].[C:3]1([H:11])([H:12])[C:4]([O:5][H:17])([H:13])[C:6]([H:15])([H:16])[O:7]1,"InChI=1S/C4H10O3/c1-7-3-4(6)2-5/h4-6H,2-3H2,1H3/t4-/m0/s1","InChI=1S/C3H6O2.CH4O/c4-3-1-5-2-3;1-2/h3-4H,1-2H2;2H,1H3",74.93271,29.62953,
12018,[C:1]([O:2][C:3]([C@@:4]([O:5][H:14])([C:6]([O:7][H:17])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][H:14])([H:8])([H:9])[H:10].[C:3]1([H:11])([H:12])[C@@:4]([C:6]([O:7][H:17])([H:15])[H:16])([H:13])[O:5]1,"InChI=1S/C4H10O3/c1-7-3-4(6)2-5/h4-6H,2-3H2,1H3/t4-/m0/s1","InChI=1S/C3H6O2.CH4O/c4-1-3-2-5-3;1-2/h3-4H,1-2H2;2H,1H3/t3-;/m0./s1",56.53471,28.267640000000004,
12019,[C:1]([O:2][C:3]([C@@:4]([O:5][H:14])([C:6]([O:7][H:17])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]([C:4]([O:5][H:17])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10].[C:6](=[O:7])([H:15])[H:16],"InChI=1S/C4H10O3/c1-7-3-4(6)2-5/h4-6H,2-3H2,1H3/t4-/m0/s1","InChI=1S/C3H8O2.CH2O/c1-5-3-2-4;1-2/h4H,2-3H2,1H3;1H2",83.5206,24.94932,
12020,[C:1]([O:2][C:3]([C@@:4]([O:5][H:14])([C:6]([O:7][H:17])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C:3](/[C:4]([O:5][H:14])=[C:6](/[O:7][H:17])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10].[H:13][H:16],"InChI=1S/C4H10O3/c1-7-3-4(6)2-5/h4-6H,2-3H2,1H3/t4-/m0/s1","InChI=1S/C4H8O3.H2/c1-7-3-4(6)2-5;/h2,5-6H,3H2,1H3;1H/b4-2-;",88.4919,27.72083,
12021,[C:1]([O:2][C:3]([C@@:4]([O:5][H:14])([C:6]([O:7][H:17])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O+:2]=[C-:3][H:12])([H:8])([H:9])[H:10].[C:4]([O:5][H:14])([C:6]([O:7][H:17])([H:15])[H:16])([H:11])[H:13],"InChI=1S/C4H10O3/c1-7-3-4(6)2-5/h4-6H,2-3H2,1H3/t4-/m0/s1","InChI=1S/C2H6O2.C2H4O/c3-1-2-4;1-3-2/h3-4H,1-2H2;1H,2H3",67.39862,74.30011999999999,
12022,[C:1]([O:2][C:3]([C@@:4]([O:5][H:14])([C:6]([O:7][H:17])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]([C:4]([O:5][H:14])=[C:6]([H:15])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10].[O:7]([H:13])[H:17],"InChI=1S/C4H10O3/c1-7-3-4(6)2-5/h4-6H,2-3H2,1H3/t4-/m0/s1","InChI=1S/C4H8O2.H2O/c1-4(5)3-6-2;/h5H,1,3H2,2H3;1H2",66.07134,7.758,"1,3_Insertion_ROR"
12023,[C:1]([O:2][C:3]([C@@:4]([O:5][H:14])([C:6]([O:7][H:17])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]([C@@:4]1([H:13])[O:5][C:6]1([H:15])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10].[O:7]([H:14])[H:17],"InChI=1S/C4H10O3/c1-7-3-4(6)2-5/h4-6H,2-3H2,1H3/t4-/m0/s1","InChI=1S/C4H8O2.H2O/c1-5-2-4-3-6-4;/h4H,2-3H2,1H3;1H2/t4-;/m1./s1",62.930330000000005,29.554190000000002,
12024,[C:1]([O:2][C:3]([C@@:4]([O:5][H:14])([C:6]([O:7][H:17])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:3]([O:2][H:14])([H:11])[H:12])([H:8])([H:9])[H:10].[C:4](=[O:5])([C:6]([O:7][H:17])([H:15])[H:16])[H:13],"InChI=1S/C4H10O3/c1-7-3-4(6)2-5/h4-6H,2-3H2,1H3/t4-/m0/s1","InChI=1S/C2H4O2.C2H6O/c3-1-2-4;1-2-3/h1,4H,2H2;3H,2H2,1H3",82.79225,3.53365,
12025,[C:1]([O:2][C:3]([C@@:4]([O:5][H:14])([C:6]([O:7][H:17])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][H:14])([H:8])([H:9])[H:10].[C:3]([C:4](=[O:5])[H:13])([C:6]([O:7][H:17])([H:15])[H:16])([H:11])[H:12],"InChI=1S/C4H10O3/c1-7-3-4(6)2-5/h4-6H,2-3H2,1H3/t4-/m0/s1","InChI=1S/C3H6O2.CH4O/c4-2-1-3-5;1-2/h2,5H,1,3H2;2H,1H3",53.72246,4.91531,
12026,[C:1]([O:2][C:3]([C@@:4]([O:5][H:14])([C:6]([O:7][H:17])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C-:1]([O+:2]=[C:3]([C@@:4]([O:5][H:14])([C:6]([O:7][H:17])([H:15])[H:16])[H:13])[H:12])([H:8])[H:9].[H:10][H:11],"InChI=1S/C4H10O3/c1-7-3-4(6)2-5/h4-6H,2-3H2,1H3/t4-/m0/s1","InChI=1S/C4H8O3.H2/c1-7-3-4(6)2-5;/h3-6H,1-2H2;1H/t4-;/m0./s1",68.75014,73.30741,
12027,[C:1]([O:2][C:3]([C@@:4]([O:5][H:14])([C:6]([O:7][H:17])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][H:13])([H:8])([H:9])[H:10].[C:3](=[C:4]([O:5][H:14])[C:6]([O:7][H:17])([H:15])[H:16])([H:11])[H:12],"InChI=1S/C4H10O3/c1-7-3-4(6)2-5/h4-6H,2-3H2,1H3/t4-/m0/s1","InChI=1S/C3H6O2.CH4O/c1-3(5)2-4;1-2/h4-5H,1-2H2;2H,1H3",65.93435,10.504389999999999,"1,3_Insertion_ROR"
12028,[C:1]([O:2][C:3]([C@@:4]([O:5][H:14])([C:6]([O:7][H:17])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C@@:4]([O:5][H:14])([C:6]([O:7][H:17])([H:15])[H:16])[H:13])([H:8])([H:9])[H:10].[C:3]([H:11])[H:12],"InChI=1S/C4H10O3/c1-7-3-4(6)2-5/h4-6H,2-3H2,1H3/t4-/m0/s1","InChI=1S/C3H8O3.CH2/c1-6-3(5)2-4;/h3-5H,2H2,1H3;1H2/t3-;/m1./s1",103.61686,113.78991,
12029,[C:1]([O:2][C:3]([C@@:4]([O:5][H:14])([C:6]([O:7][H:17])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:12].[O:2](/[C:3](=[C:4](/[C:6]([O:7][H:17])([H:15])[H:16])[H:13])[H:11])[O:5][H:14],"InChI=1S/C4H10O3/c1-7-3-4(6)2-5/h4-6H,2-3H2,1H3/t4-/m0/s1","InChI=1S/C3H6O3.CH4/c4-2-1-3-6-5;/h1,3-5H,2H2;1H4/b3-1+;",137.12017,64.54598,
12030,[C:1]([O:2][C:3]([C@@:4]([O:5][H:14])([C:6]([O:7][H:17])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C:6]([O:7][H:17])([H:15])[H:16])([H:8])([H:9])[H:10].[C:3](=[C:4]([O:5][H:14])[H:13])([H:11])[H:12],"InChI=1S/C4H10O3/c1-7-3-4(6)2-5/h4-6H,2-3H2,1H3/t4-/m0/s1","InChI=1S/C2H6O2.C2H4O/c1-4-2-3;1-2-3/h3H,2H2,1H3;2-3H,1H2",88.28031,16.89078,"1,3_Insertion_ROR"
12031,[C:1]([O:2][C:3]([C@@:4]([O:5][H:14])([C:6]([O:7][H:17])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]([C:4](=[O:5])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10].[C:6](=[O:7])([H:15])[H:16].[H:14][H:17],"InChI=1S/C4H10O3/c1-7-3-4(6)2-5/h4-6H,2-3H2,1H3/t4-/m0/s1","InChI=1S/C3H6O2.CH2O.H2/c1-5-3-2-4;1-2;/h2H,3H2,1H3;1H2;1H",69.33614,43.65297,
12032,[C:1]([O:2][C:3]([C@@:4]([O:5][H:14])([C:6]([O:7][H:17])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]([C:4]([O:5][H:14])([C:6]([H:13])([H:15])[H:16])[O:7][H:17])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H10O3/c1-7-3-4(6)2-5/h4-6H,2-3H2,1H3/t4-/m0/s1","InChI=1S/C4H10O3/c1-4(5,6)3-7-2/h5-6H,3H2,1-2H3",82.32319,-7.95944,
12033,[C:1]([O:2][C:3]([C@@:4]([O:5][H:14])([C:6]([O:7][H:17])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]([C:4](=[O:5])[C:6]([O:7][H:17])([H:15])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10].[H:13][H:14],"InChI=1S/C4H10O3/c1-7-3-4(6)2-5/h4-6H,2-3H2,1H3/t4-/m0/s1","InChI=1S/C4H8O3.H2/c1-7-3-4(6)2-5;/h5H,2-3H2,1H3;1H",79.47601,20.87262,
12034,[C:1]([O:2][C:3]([C@@:4]([O:5][H:14])([C:6]([O:7][H:17])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]([C@@:4]([O:5][H:14])([C:6](=[O:7])[H:15])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10].[H:16][H:17],"InChI=1S/C4H10O3/c1-7-3-4(6)2-5/h4-6H,2-3H2,1H3/t4-/m0/s1","InChI=1S/C4H8O3.H2/c1-7-3-4(6)2-5;/h2,4,6H,3H2,1H3;1H/t4-;/m0./s1",85.66537,22.77165,
12035,[C:1]([O:2][C:3]([C@@:4]([O:5][H:14])([C:6]([O:7][H:17])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C@:3]1([H:12])[C@:4]([O:5][H:14])([H:13])[C@:6]1([O:7][H:17])[H:15])([H:8])([H:9])[H:10].[H:11][H:16],"InChI=1S/C4H10O3/c1-7-3-4(6)2-5/h4-6H,2-3H2,1H3/t4-/m0/s1","InChI=1S/C4H8O3.H2/c1-7-4-2(5)3(4)6;/h2-6H,1H3;1H/t2-,3+,4+;",82.74831999999999,40.7223,
12036,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]([C:5]([H:14])([H:15])[H:16])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([O:7][C:6]1=[C:2]([H:11])[C:3]([H:12])([H:13])[N:4]1[C:5]([H:14])([H:15])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-4-3-6(2)5(4)7/h4H,3H2,1-2H3/t4-/m0/s1","InChI=1S/C5H9NO/c1-6-4-3-5(6)7-2/h3H,4H2,1-2H3",98.225,46.05644,ketoenol
12037,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]([C:5]([H:14])([H:15])[H:16])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([C:6](=[O:7])[H:11])[C:3]([H:12])([H:13])[N:4]1[C:5]([H:14])([H:15])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-4-3-6(2)5(4)7/h4H,3H2,1-2H3/t4-/m0/s1","InChI=1S/C5H9NO/c1-5(4-7)3-6(5)2/h4H,3H2,1-2H3/t5-,6?/m0/s1",83.69869,29.0943,
12038,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]([C:5]([H:14])([H:15])[H:16])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:6]=[O:7])[H:11])([H:8])([H:9])[H:10].[C:3](=[N:4][C:5]([H:14])([H:15])[H:16])([H:12])[H:13],"InChI=1S/C5H9NO/c1-4-3-6(2)5(4)7/h4H,3H2,1-2H3/t4-/m0/s1","InChI=1S/C3H4O.C2H5N/c1-2-3-4;1-3-2/h2H,1H3;1H2,2H3",42.95783,34.45715,
12039,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]([C:5]([H:14])([H:15])[H:16])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]([H:12])[H:13])[H:11])([H:8])([H:9])[H:10].[N:4]([C:5]([H:14])([H:15])[H:16])=[C:6]=[O:7],"InChI=1S/C5H9NO/c1-4-3-6(2)5(4)7/h4H,3H2,1-2H3/t4-/m0/s1","InChI=1S/C3H6.C2H3NO/c1-3-2;1-3-2-4/h3H,1H2,2H3;1H3",45.80148,9.140789999999999,
12040,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]([C:5]([H:14])([H:15])[H:16])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([C@@:2]([C:3]([N:4]([C-:5]([H:15])[H:16])[H:14])([H:12])[H:13])([C:6]#[O+:7])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-4-3-6(2)5(4)7/h4H,3H2,1-2H3/t4-/m0/s1","InChI=1S/C5H9NO/c1-5(4-7)3-6-2/h5-6H,2-3H2,1H3/t5-/m0/s1",91.77929,61.57643,
12041,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]([C:5]([H:14])([H:15])[H:16])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N+:4]([C-:5]([H:15])[H:16])=[C:6]1[O:7][H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-4-3-6(2)5(4)7/h4H,3H2,1-2H3/t4-/m0/s1","InChI=1S/C5H9NO/c1-4-3-6(2)5(4)7/h4,7H,2-3H2,1H3/t4-/m0/s1",65.02741999999999,57.34124,
12042,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]([C:5]([H:14])([H:15])[H:16])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:6]([N+:4](=[C:3]([H:12])[H:13])[C:5]([H:14])([H:15])[H:16])[O-:7])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-4-3-6(2)5(4)7/h4H,3H2,1-2H3/t4-/m0/s1","InChI=1S/C5H9NO/c1-4-5(7)6(2)3/h4H,2H2,1,3H3",42.9525,36.85191,
12043,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]([C:5]([H:14])([H:15])[H:16])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1](=[C:2]([C:6](=[N+:4]([C-:3]([H:12])[H:13])[C:5]([H:14])([H:15])[H:16])[O:7][H:9])[H:11])([H:8])[H:10],"InChI=1S/C5H9NO/c1-4-3-6(2)5(4)7/h4H,3H2,1-2H3/t4-/m0/s1","InChI=1S/C5H9NO/c1-4-5(7)6(2)3/h4,7H,1-2H2,3H3",81.2049,49.03953,
12044,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]([C:5]([H:14])([H:15])[H:16])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1](=[C:2]([C:3]([N:4]([C:5]([H:14])([H:15])[H:16])[C:6](=[O:7])[H:9])([H:12])[H:13])[H:11])([H:8])[H:10],"InChI=1S/C5H9NO/c1-4-3-6(2)5(4)7/h4H,3H2,1-2H3/t4-/m0/s1","InChI=1S/C5H9NO/c1-3-4-6(2)5-7/h3,5H,1,4H2,2H3",87.90489000000001,8.84378,
12045,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]([C:5]([H:14])([H:15])[H:16])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C-:3]([H:12])[N+:4]([C:5]([H:14])([H:15])[H:16])=[C:6]1[O:7][H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-4-3-6(2)5(4)7/h4H,3H2,1-2H3/t4-/m0/s1","InChI=1S/C5H9NO/c1-4-3-6(2)5(4)7/h3-4,7H,1-2H3/t4-/m0/s1",103.40687,66.85701999999999,
12046,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]([C:5]([H:14])([H:15])[H:16])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([C@@:2]([C:3][H:13])([C:6]([N:4]([C:5]([H:14])([H:15])[H:16])[H:12])=[O:7])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-4-3-6(2)5(4)7/h4H,3H2,1-2H3/t4-/m0/s1","InChI=1S/C5H9NO/c1-4(2)5(7)6-3/h1,4H,2-3H3,(H,6,7)/t4-/m1/s1",72.69062,74.76258,
12047,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]([C:5]([H:14])([H:15])[H:16])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:6]([O:7][H:11])[N:4]([C:5]([H:14])([H:15])[H:16])[C:3]1([H:12])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-4-3-6(2)5(4)7/h4H,3H2,1-2H3/t4-/m0/s1","InChI=1S/C5H9NO/c1-4-3-6(2)5(4)7/h7H,3H2,1-2H3",83.78405,32.43434,ketoenol
12048,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]([C:5]([H:14])([H:15])[H:16])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]=[C:6]1[O:7][C:5]([H:14])([H:15])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-4-3-6(2)5(4)7/h4H,3H2,1-2H3/t4-/m0/s1","InChI=1S/C5H9NO/c1-4-3-6-5(4)7-2/h4H,3H2,1-2H3/t4-/m0/s1",71.84898000000001,25.4138,ketoenol
12049,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]([C:5]([H:14])([H:15])[H:16])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:6](=[N+:4]([C-:3]([H:12])[H:13])[C:5]([H:14])([H:15])[H:16])[O:7]1)([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-4-3-6(2)5(4)7/h4H,3H2,1-2H3/t4-/m0/s1","InChI=1S/C5H9NO/c1-4-5(7-4)6(2)3/h4H,2H2,1,3H3/t4-/m0/s1",86.9707,80.26225,
12050,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]([C:5]([H:14])([H:15])[H:16])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([C@@:2]([C:3]([N:4]=[C:5]([H:15])[H:16])([H:12])[H:13])([C:6](=[O:7])[H:14])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-4-3-6(2)5(4)7/h4H,3H2,1-2H3/t4-/m0/s1","InChI=1S/C5H9NO/c1-5(4-7)3-6-2/h4-5H,2-3H2,1H3/t5-/m0/s1",95.88792,17.3368,
12051,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]([C:5]([H:14])([H:15])[H:16])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([C:6]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]1[C:5]([H:14])([H:15])[H:16])=[O:7])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-4-3-6(2)5(4)7/h4H,3H2,1-2H3/t4-/m0/s1","InChI=1S/C5H9NO/c1-4(7)5-3-6(5)2/h5H,3H2,1-2H3/t5-,6?/m1/s1",96.30386,29.74492,
12052,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]([C:5]([H:14])([H:15])[H:16])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]1([H:8])([H:10])[C@:2]([C:3]([N:4]([C:5]([H:14])([H:15])[H:16])[H:9])([H:12])[H:13])([H:11])[C:6]1=[O:7],"InChI=1S/C5H9NO/c1-4-3-6(2)5(4)7/h4H,3H2,1-2H3/t4-/m0/s1","InChI=1S/C5H9NO/c1-6-3-4-2-5(4)7/h4,6H,2-3H2,1H3/t4-/m0/s1",84.01855,40.99725,
12053,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]([C:5]([H:14])([H:15])[H:16])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([N:4]([C:3]([C:2](=[C:6]=[O:7])[H:11])([H:12])[H:13])[C:5]([H:14])([H:15])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-4-3-6(2)5(4)7/h4H,3H2,1-2H3/t4-/m0/s1","InChI=1S/C5H9NO/c1-6(2)4-3-5-7/h3H,4H2,1-2H3",95.20083000000001,25.89631,
12054,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]([C:5]([H:14])([H:15])[H:16])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([C:2](/[C:3](=[N:4]/[C:5]([H:14])([H:15])[H:16])[H:13])=[C:6]=[O:7])([H:8])([H:9])[H:10].[H:11][H:12],"InChI=1S/C5H9NO/c1-4-3-6(2)5(4)7/h4H,3H2,1-2H3/t4-/m0/s1","InChI=1S/C5H7NO.H2/c1-5(4-7)3-6-2;/h3H,1-2H3;1H/b6-3+;",94.70127,33.77558,
12055,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]([C:5]([H:14])([H:15])[H:16])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([C:2][C:3]([N:4]([C:5]([H:14])([H:15])[H:16])[C:6](=[O:7])[H:11])([H:12])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-4-3-6(2)5(4)7/h4H,3H2,1-2H3/t4-/m0/s1","InChI=1S/C5H9NO/c1-3-4-6(2)5-7/h5H,4H2,1-2H3",83.03735,78.95796999999999,
12056,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]([C:5]([H:14])([H:15])[H:16])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([C+:2]=[C:6]([N:4]([C:3]([H:11])([H:12])[H:13])[C:5]([H:14])([H:15])[H:16])[O-:7])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-4-3-6(2)5(4)7/h4H,3H2,1-2H3/t4-/m0/s1",InChI=1S/C5H9NO/c1-4-5(7)6(2)3/h1-3H3,68.20096,65.88194,
12057,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]([C:5]([H:14])([H:15])[H:16])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C-:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]([C+:5]([H:15])[H:16])[C:6]1=[O:7])([H:8])[H:10].[H:9][H:14],"InChI=1S/C5H9NO/c1-4-3-6(2)5(4)7/h4H,3H2,1-2H3/t4-/m0/s1","InChI=1S/C5H7NO.H2/c1-4-3-6(2)5(4)7;/h4H,1-3H2;1H/t4-;/m0./s1",92.27964,94.07898,
12058,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]([C:5]([H:14])([H:15])[H:16])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])/[C:6](=[N:4]/[C:5]([H:14])([H:15])[H:16])[O:7]1)([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-4-3-6(2)5(4)7/h4H,3H2,1-2H3/t4-/m0/s1","InChI=1S/C5H9NO/c1-4-3-5(6-2)7-4/h4H,3H2,1-2H3/b6-5-/t4-/m0/s1",55.356730000000006,15.13272,
12059,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]([C:5]([H:14])([H:15])[H:16])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:6]([O-:7])[N+:4](=[C:5]([H:15])[H:16])[C:3]1([H:12])[H:13])([H:8])([H:9])[H:10].[H:11][H:14],"InChI=1S/C5H9NO/c1-4-3-6(2)5(4)7/h4H,3H2,1-2H3/t4-/m0/s1","InChI=1S/C5H7NO.H2/c1-4-3-6(2)5(4)7;/h2-3H2,1H3;1H",70.43228,54.30701,
12060,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]2([C:5]([H:10])([H:11])[O:6]2)[C:7]1([H:12])[H:13],[O:1]([C:2]1=[C:7]([H:12])[C@@:4]2([C:3]1([H:8])[H:9])[C:5]([H:10])([H:11])[O:6]2)[H:13],InChI=1S/C5H6O2/c6-4-1-5(2-4)3-7-5/h1-3H2,"InChI=1S/C5H6O2/c6-4-1-5(2-4)3-7-5/h1,6H,2-3H2/t5-/m1/s1",75.48584,11.216619999999999,ketoenol
12061,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]2([C:5]([H:10])([H:11])[O:6]2)[C:7]1([H:12])[H:13],[O:1]=[C:2]=[C:7]([C@@:4]1([C:3]([H:8])([H:9])[H:12])[C:5]([H:10])([H:11])[O:6]1)[H:13],InChI=1S/C5H6O2/c6-4-1-5(2-4)3-7-5/h1-3H2,"InChI=1S/C5H6O2/c1-5(2-3-6)4-7-5/h2H,4H2,1H3/t5-/m0/s1",68.81361,-5.24301,
12062,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]2([C:5]([H:10])([H:11])[O:6]2)[C:7]1([H:12])[H:13],[C:3](=[C:4]1[C:5]([H:10])([H:11])[O:6]1)([H:8])[H:9].[O:1]=[C:2]=[C:7]([H:12])[H:13],InChI=1S/C5H6O2/c6-4-1-5(2-4)3-7-5/h1-3H2,InChI=1S/C3H4O.C2H2O/c1-3-2-4-3;1-2-3/h1-2H2;1H2,40.27475,22.59786,
12063,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]2([C:5]([H:10])([H:11])[O:6]2)[C:7]1([H:12])[H:13],[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4](=[O+:6][C-:5]([H:10])[H:11])[C:7]1([H:12])[H:13],InChI=1S/C5H6O2/c6-4-1-5(2-4)3-7-5/h1-3H2,InChI=1S/C5H6O2/c1-7-5-2-4(6)3-5/h1-3H2,55.4234,41.23066,
12064,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]2([C:5]([H:10])([H:11])[O:6]2)[C:7]1([H:12])[H:13],[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([C:5][H:11])([O:6][H:10])[C:7]1([H:12])[H:13],InChI=1S/C5H6O2/c6-4-1-5(2-4)3-7-5/h1-3H2,"InChI=1S/C5H6O2/c1-5(7)2-4(6)3-5/h1,7H,2-3H2",68.95205,66.87286999999999,
12065,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]2([C:5]([H:10])([H:11])[O:6]2)[C:7]1([H:12])[H:13],[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([O:6][C:5]([H:10])([H:11])[H:13])=[C:7]1[H:12],InChI=1S/C5H6O2/c6-4-1-5(2-4)3-7-5/h1-3H2,"InChI=1S/C5H6O2/c1-7-5-2-4(6)3-5/h2H,3H2,1H3",76.32670999999999,-10.127419999999999,
12066,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]2([C:5]([H:10])([H:11])[O:6]2)[C:7]1([H:12])[H:13],[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([O+:6]=[C-:5][H:10])([H:11])[C:7]1([H:12])[H:13],InChI=1S/C5H6O2/c6-4-1-5(2-4)3-7-5/h1-3H2,"InChI=1S/C5H6O2/c1-7-5-2-4(6)3-5/h1,5H,2-3H2",76.64926,47.23422,
12067,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]2([C:5]([H:10])([H:11])[O:6]2)[C:7]1([H:12])[H:13],[O:1]([C-:2]1[C:3]([H:8])([H:9])[C:4]2([C:5]([H:10])=[O+:6]2)[C:7]1([H:12])[H:13])[H:11],InChI=1S/C5H6O2/c6-4-1-5(2-4)3-7-5/h1-3H2,"InChI=1S/C5H6O2/c6-4-1-5(2-4)3-7-5/h3,6H,1-2H2",101.36154,76.78823,
12068,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]2([C:5]([H:10])([H:11])[O:6]2)[C:7]1([H:12])[H:13],[O:1]=[C:2]1[C:3]([H:8])=[C:4]([C:5]([O:6][H:9])([H:10])[H:11])[C:7]1([H:12])[H:13],InChI=1S/C5H6O2/c6-4-1-5(2-4)3-7-5/h1-3H2,"InChI=1S/C5H6O2/c6-3-4-1-5(7)2-4/h1,6H,2-3H2",50.607040000000005,-10.94252,
12069,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]2([C:5]([H:10])([H:11])[O:6]2)[C:7]1([H:12])[H:13],[C:5](=[O:6])([H:10])[H:11].[O:1]=[C:2]1[C:3]([H:9])=[C:4]([H:8])[C:7]1([H:12])[H:13],InChI=1S/C5H6O2/c6-4-1-5(2-4)3-7-5/h1-3H2,"InChI=1S/C4H4O.CH2O/c5-4-2-1-3-4;1-2/h1-2H,3H2;1H2",68.88943,8.7429,
12070,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]2([C:5]([H:10])([H:11])[O:6]2)[C:7]1([H:12])[H:13],[O:1]=[C:2]([C:7]([C@@:4]1([C:3][H:8])[C:5]([H:10])([H:11])[O:6]1)([H:12])[H:13])[H:9],InChI=1S/C5H6O2/c6-4-1-5(2-4)3-7-5/h1-3H2,"InChI=1S/C5H6O2/c1-5(2-3-6)4-7-5/h1,3H,2,4H2/t5-/m0/s1",72.00519,76.50163,
12071,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]2([C:5]([H:10])([H:11])[O:6]2)[C:7]1([H:12])[H:13],[C:5](=[O:6])([H:10])[H:11].[O:1]1[C@:2]23[C:3]([H:8])([H:9])[C@:4]12[C:7]3([H:12])[H:13],InChI=1S/C5H6O2/c6-4-1-5(2-4)3-7-5/h1-3H2,"InChI=1S/C4H4O.CH2O/c1-3-2-4(1,3)5-3;1-2/h1-2H2;1H2/t3-,4+;",80.35574,70.0508,
12072,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]2([C:5]([H:10])([H:11])[O:6]2)[C:7]1([H:12])[H:13],[O:1]=[C:2]1[O:6][C:5]([H:10])([H:11])[C:4](=[C:3]([H:8])[H:9])[C:7]1([H:12])[H:13],InChI=1S/C5H6O2/c6-4-1-5(2-4)3-7-5/h1-3H2,InChI=1S/C5H6O2/c1-4-2-5(6)7-3-4/h1-3H2,52.32225,-40.27431,
12073,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]2([C:5]([H:10])([H:11])[O:6]2)[C:7]1([H:12])[H:13],[O:1]=[C:2]([C@:7]1([H:13])[C:3]([H:8])([H:9])[C@@:4]12[C:5]([H:10])([H:11])[O:6]2)[H:12],InChI=1S/C5H6O2/c6-4-1-5(2-4)3-7-5/h1-3H2,"InChI=1S/C5H6O2/c6-2-4-1-5(4)3-7-5/h2,4H,1,3H2/t4-,5+/m0/s1",68.81186,13.97114,
12074,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]2([C:5]([H:10])([H:11])[O:6]2)[C:7]1([H:12])[H:13],[C:3]1([H:8])([H:9])[C:4](=[C:7]([H:12])[H:13])[C:5]([H:10])([H:11])[O:6]1.[O+:1]#[C-:2],InChI=1S/C5H6O2/c6-4-1-5(2-4)3-7-5/h1-3H2,InChI=1S/C4H6O.CO/c1-4-2-5-3-4;1-2/h1-3H2;,52.25145,3.7966699999999998,
12075,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]2([C:5]([H:10])([H:11])[O:6]2)[C:7]1([H:12])[H:13],[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:5]([H:10])([H:11])[O+:6]=[C-:4][C:7]1([H:12])[H:13],InChI=1S/C5H6O2/c6-4-1-5(2-4)3-7-5/h1-3H2,InChI=1S/C5H6O2/c6-5-1-3-7-4-2-5/h1-3H2,86.38735,19.964029999999998,
12076,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]2([C:5]([H:10])([H:11])[O:6]2)[C:7]1([H:12])[H:13],[C:5](=[O:6])([H:10])[H:11].[O:1]=[C:2]1[C:4](=[C:3]([H:8])[H:9])[C:7]1([H:12])[H:13],InChI=1S/C5H6O2/c6-4-1-5(2-4)3-7-5/h1-3H2,InChI=1S/C4H4O.CH2O/c1-3-2-4(3)5;1-2/h1-2H2;1H2,52.87441,29.868579999999998,
12077,[C:1]([C:2]([N:3]1[C:4]([H:13])([H:14])[C@:5]1([C:6]([O:7][H:18])([H:16])[H:17])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([N+:3]1=[C:4]([H:13])[C@:5]1([C-:6]([O:7][H:18])[H:16])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10].[H:14][H:17],"InChI=1S/C5H11NO/c1-2-6-3-5(6)4-7/h5,7H,2-4H2,1H3/t5-,6?/m0/s1","InChI=1S/C5H9NO.H2/c1-2-6-3-5(6)4-7;/h3-5,7H,2H2,1H3;1H/t5-;/m0./s1",80.66031,82.8703,
12078,[C:1]([C:2]([N:3]1[C:4]([H:13])([H:14])[C@:5]1([C:6]([O:7][H:18])([H:16])[H:17])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([N+:3]1([H:14])[C-:4]([H:13])[C@:5]1([C:6]([O:7][H:18])([H:16])[H:17])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H11NO/c1-2-6-3-5(6)4-7/h5,7H,2-4H2,1H3/t5-,6?/m0/s1","InChI=1S/C5H11NO/c1-2-6-3-5(6)4-7/h3,5-7H,2,4H2,1H3/t5-/m0/s1",66.84333000000001,54.48392,
12079,[C:1]([C:2]([N:3]1[C:4]([H:13])([H:14])[C@:5]1([C:6]([O:7][H:18])([H:16])[H:17])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C@@:5]([N:3]1[C:2]([H:11])([H:12])[C:4]1([H:13])[H:14])([C:6]([O:7][H:18])([H:16])[H:17])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H11NO/c1-2-6-3-5(6)4-7/h5,7H,2-4H2,1H3/t5-,6?/m0/s1","InChI=1S/C5H11NO/c1-5(4-7)6-2-3-6/h5,7H,2-4H2,1H3/t5-/m1/s1",105.59123000000001,1.7488,
12080,[C:1]([C:2]([N:3]1[C:4]([H:13])([H:14])[C@:5]1([C:6]([O:7][H:18])([H:16])[H:17])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],[C-:2]([N+:3]1=[C:4]([H:14])[C@:5]1([C:6]([O:7][H:18])([H:16])[H:17])[H:15])([H:11])[H:12].[C:1]([H:8])([H:9])([H:10])[H:13],"InChI=1S/C5H11NO/c1-2-6-3-5(6)4-7/h5,7H,2-4H2,1H3/t5-,6?/m0/s1","InChI=1S/C4H7NO.CH4/c1-5-2-4(5)3-6;/h2,4,6H,1,3H2;1H4/t4-;/m0./s1",79.87026,55.08387,
12081,[C:1]([C:2]([N:3]1[C:4]([H:13])([H:14])[C@:5]1([C:6]([O:7][H:18])([H:16])[H:17])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([N:3]([C:4]([C:5]([C:6](=[O:7])[H:16])([H:15])[H:17])([H:13])[H:14])[H:18])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H11NO/c1-2-6-3-5(6)4-7/h5,7H,2-4H2,1H3/t5-,6?/m0/s1","InChI=1S/C5H11NO/c1-2-6-4-3-5-7/h5-6H,2-4H2,1H3",42.026070000000004,-15.948020000000001,
12082,[C:1]([C:2]([N:3]1[C:4]([H:13])([H:14])[C@:5]1([C:6]([O:7][H:18])([H:16])[H:17])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C-:2]([N+:3]1=[C:5]([C:6]([O:7][H:18])([H:16])[H:17])[C:4]1([H:13])[H:14])[H:12])([H:8])([H:9])[H:10].[H:11][H:15],"InChI=1S/C5H11NO/c1-2-6-3-5(6)4-7/h5,7H,2-4H2,1H3/t5-,6?/m0/s1","InChI=1S/C5H9NO.H2/c1-2-6-3-5(6)4-7;/h2,7H,3-4H2,1H3;1H",68.3051,63.38106,
12083,[C:1]([C:2]([N:3]1[C:4]([H:13])([H:14])[C@:5]1([C:6]([O:7][H:18])([H:16])[H:17])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([N:3]([C:4](/[C:5](=[C:6](/[O:7][H:18])[H:16])[H:15])([H:13])[H:14])[H:17])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H11NO/c1-2-6-3-5(6)4-7/h5,7H,2-4H2,1H3/t5-,6?/m0/s1","InChI=1S/C5H11NO/c1-2-6-4-3-5-7/h3,5-7H,2,4H2,1H3/b5-3+",68.30881,-8.64667,
12084,[C:1]([C:2]([N:3]1[C:4]([H:13])([H:14])[C@:5]1([C:6]([O:7][H:18])([H:16])[H:17])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([N:3]([C:4]([C@@:5]1([H:15])[C:6]([H:16])([H:17])[O:7]1)([H:13])[H:14])[H:18])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H11NO/c1-2-6-3-5(6)4-7/h5,7H,2-4H2,1H3/t5-,6?/m0/s1","InChI=1S/C5H11NO/c1-2-6-3-5-4-7-5/h5-6H,2-4H2,1H3/t5-/m0/s1",48.70195,6.575080000000001,
12085,[C:1]([C:2]([N:3]1[C:4]([H:13])([H:14])[C@:5]1([C:6]([O:7][H:18])([H:16])[H:17])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C-:2]([N+:3]1=[C:4]([H:14])[C@:5]1([C:6]([O:7][H:18])([H:16])[H:17])[H:15])[H:12])([H:8])([H:9])[H:10].[H:11][H:13],"InChI=1S/C5H11NO/c1-2-6-3-5(6)4-7/h5,7H,2-4H2,1H3/t5-,6?/m0/s1","InChI=1S/C5H9NO.H2/c1-2-6-3-5(6)4-7;/h2-3,5,7H,4H2,1H3;1H/t5-;/m0./s1",70.18744000000001,65.82302,
12086,[C:1]([C:2]([N:3]1[C:4]([H:13])([H:14])[C@:5]1([C:6]([O:7][H:18])([H:16])[H:17])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],[C-:2]([N+:3]1=[C:5]([C:6]([O:7][H:18])([H:16])[H:17])[C:4]1([H:13])[H:14])([H:11])[H:12].[C:1]([H:8])([H:9])([H:10])[H:15],"InChI=1S/C5H11NO/c1-2-6-3-5(6)4-7/h5,7H,2-4H2,1H3/t5-,6?/m0/s1","InChI=1S/C4H7NO.CH4/c1-5-2-4(5)3-6;/h6H,1-3H2;1H4",78.62572,53.6059,
12087,[C:1]([C:2]([N:3]1[C:4]([H:13])([H:14])[C@:5]1([C:6]([O:7][H:18])([H:16])[H:17])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:4](/[N:3]=[C:5](/[C:6]([O:7][H:18])([H:16])[H:17])[H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H11NO/c1-2-6-3-5(6)4-7/h5,7H,2-4H2,1H3/t5-,6?/m0/s1","InChI=1S/C5H11NO/c1-2-3-6-4-5-7/h4,7H,2-3,5H2,1H3/b6-4+",84.57992,-17.88004,
12088,[C:1]([C:2]([N:3]1[C:4]([H:13])([H:14])[C@:5]1([C:6]([O:7][H:18])([H:16])[H:17])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:5]([N:3]=[C:4]([H:13])[H:14])([C:6]([O:7][H:18])([H:16])[H:17])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H11NO/c1-2-6-3-5(6)4-7/h5,7H,2-4H2,1H3/t5-,6?/m0/s1","InChI=1S/C5H11NO/c1-3-5(4-7)6-2/h5,7H,2-4H2,1H3/t5-/m1/s1",86.15663,-14.149429999999999,
12089,[C:1]([C:2]([N:3]1[C:4]([H:13])([H:14])[C@:5]1([C:6]([O:7][H:18])([H:16])[H:17])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([N+:3]([C-:4]([H:13])[H:14])=[C:5]([C:6]([O:7][H:18])([H:16])[H:17])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H11NO/c1-2-6-3-5(6)4-7/h5,7H,2-4H2,1H3/t5-,6?/m0/s1","InChI=1S/C5H11NO/c1-3-6(2)4-5-7/h4,7H,2-3,5H2,1H3",40.673790000000004,22.10161,
12090,[C:1]([C:2]([N:3]1[C:4]([H:13])([H:14])[C@:5]1([C:6]([O:7][H:18])([H:16])[H:17])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([H:11])([H:12])[H:18])([H:8])([H:9])[H:10].[N:3]12[C:4]([H:13])([H:14])[C@@:5]1([H:15])[C:6]([H:16])([H:17])[O:7]2,"InChI=1S/C5H11NO/c1-2-6-3-5(6)4-7/h5,7H,2-4H2,1H3/t5-,6?/m0/s1","InChI=1S/C3H5NO.C2H6/c1-3-2-5-4(1)3;1-2/h3H,1-2H2;1-2H3/t3-,4?;/m0./s1",103.54184000000001,61.57751999999999,
12091,[C:1]([C:2]([N:3]1[C:4]([H:13])([H:14])[C@:5]1([C:6]([O:7][H:18])([H:16])[H:17])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([N:3]1[C:4]([H:13])([H:14])[C@:5]1([C:6](=[O:7])[H:16])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10].[H:17][H:18],"InChI=1S/C5H11NO/c1-2-6-3-5(6)4-7/h5,7H,2-4H2,1H3/t5-,6?/m0/s1","InChI=1S/C5H9NO.H2/c1-2-6-3-5(6)4-7;/h4-5H,2-3H2,1H3;1H/t5-,6?;/m0./s1",84.64213000000001,22.269560000000002,
12092,[C:1]([C:2]([N:3]1[C:4]([H:13])([H:14])[C@:5]1([C:6]([O:7][H:18])([H:16])[H:17])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([N:3]1[C:4]([H:13])([H:14])[C@:5]1([O:7][H:18])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10].[C:6]([H:16])[H:17],"InChI=1S/C5H11NO/c1-2-6-3-5(6)4-7/h5,7H,2-4H2,1H3/t5-,6?/m0/s1","InChI=1S/C4H9NO.CH2/c1-2-5-3-4(5)6;/h4,6H,2-3H2,1H3;1H2/t4-,5?;/m1./s1",115.01172,117.20496000000001,
12093,[C:1]([C:2]([N:3]1[C:4]([H:13])([H:14])[C@:5]1([C:6]([O:7][H:18])([H:16])[H:17])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([N:3]1[C:4]([H:13])([H:14])/[C:5]1=[C:6](/[O:7][H:18])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10].[H:15][H:17],"InChI=1S/C5H11NO/c1-2-6-3-5(6)4-7/h5,7H,2-4H2,1H3/t5-,6?/m0/s1","InChI=1S/C5H9NO.H2/c1-2-6-3-5(6)4-7;/h4,7H,2-3H2,1H3;1H/b5-4-;",86.96455999999999,34.66049,
12094,[C:1]([C:2]([N:3]1[C:4]([H:13])([H:14])[C@:5]1([C:6]([O:7][H:18])([H:16])[H:17])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([N+:3]1([C:6]([O:7][H:18])([H:16])[H:17])[C:4]([H:13])([H:14])[C-:5]1[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H11NO/c1-2-6-3-5(6)4-7/h5,7H,2-4H2,1H3/t5-,6?/m0/s1","InChI=1S/C5H11NO/c1-2-6(5-7)3-4-6/h3,7H,2,4-5H2,1H3",94.53614,59.35351,
12095,[C:1]([C:2]([N:3]1[C:4]([H:13])([H:14])[C@:5]1([C:6]([O:7][H:18])([H:16])[H:17])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([N:3]1[C:4]([H:13])([H:14])[C:5]1([H:15])[H:18])([H:11])[H:12])([H:8])([H:9])[H:10].[C:6](=[O:7])([H:16])[H:17],"InChI=1S/C5H11NO/c1-2-6-3-5(6)4-7/h5,7H,2-4H2,1H3/t5-,6?/m0/s1","InChI=1S/C4H9N.CH2O/c1-2-5-3-4-5;1-2/h2-4H2,1H3;1H2",83.7517,22.57376,
12096,[C:1]([C:2]([N:3]1[C:4]([H:13])([H:14])[C@:5]1([C:6]([O:7][H:18])([H:16])[H:17])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](=[C:2]([H:11])[H:12])([H:8])[H:10].[H:9][H:13].[N:3]1=[C:4]([H:14])[C@:5]1([C:6]([O:7][H:18])([H:16])[H:17])[H:15],"InChI=1S/C5H11NO/c1-2-6-3-5(6)4-7/h5,7H,2-4H2,1H3/t5-,6?/m0/s1","InChI=1S/C3H5NO.C2H4.H2/c5-2-3-1-4-3;1-2;/h1,3,5H,2H2;1-2H2;1H/t3-;;/m0../s1",74.53628,57.63528,
12097,[C:1]([C:2]([N:3]1[C:4]([H:13])([H:14])[C@:5]1([C:6]([O:7][H:18])([H:16])[H:17])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([N:3]1[C:4]([H:13])([H:14])[C:5]1=[C:6]([H:16])[H:17])([H:11])[H:12])([H:8])([H:9])[H:10].[O:7]([H:15])[H:18],"InChI=1S/C5H11NO/c1-2-6-3-5(6)4-7/h5,7H,2-4H2,1H3/t5-,6?/m0/s1","InChI=1S/C5H9N.H2O/c1-3-6-4-5(6)2;/h2-4H2,1H3;1H2",71.89988000000001,18.70322,"1,3_Insertion_ROR"
12098,[N:1]([c:2]1[c:3]([H:10])[n:4][c:5]([H:11])[n:6][c:7]1[H:12])([H:8])[H:9],[N:1]([C:2](=[C:7]([N:6]=[C:5]([N+:4]#[C-:3])[H:11])[H:12])[H:10])([H:8])[H:9],"InChI=1S/C4H5N3/c5-4-1-6-3-7-2-4/h1-3H,5H2","InChI=1S/C4H5N3/c1-6-4-7-3-2-5/h2-4H,5H2",95.89425,53.11955,
12099,[N:1]([c:2]1[c:3]([H:10])[n:4][c:5]([H:11])[n:6][c:7]1[H:12])([H:8])[H:9],[N:1]([C:2]1=[C:7]([H:12])[N:6]([H:10])[C:5]([H:11])=[N+:4]=[C-:3]1)([H:8])[H:9],"InChI=1S/C4H5N3/c5-4-1-6-3-7-2-4/h1-3H,5H2","InChI=1S/C4H5N3/c5-4-1-6-3-7-2-4/h1,3,6H,5H2",123.40043999999999,64.10816,
12100,[N:1]([c:2]1[c:3]([H:10])[n:4][c:5]([H:11])[n:6][c:7]1[H:12])([H:8])[H:9],[N+:1]1([H:8])([H:9])[C@:2]2([C-:3]1[H:10])[N:4]=[C:5]([H:11])[N:6]=[C:7]2[H:12],"InChI=1S/C4H5N3/c5-4-1-6-3-7-2-4/h1-3H,5H2","InChI=1S/C4H5N3/c1-4(2-6-4)7-3-5-1/h1-3H,6H2/t4-/m0/s1",117.12028000000001,98.86861999999999,
12101,[N:1]([c:2]1[c:3]([H:10])[n:4][c:5]([H:11])[n:6][c:7]1[H:12])([H:8])[H:9],[N:1]([C:2]12[C:3]([H:10])=[N:4][C:5]1([H:11])[N:6]=[C:7]2[H:12])([H:8])[H:9],"InChI=1S/C4H5N3/c5-4-1-6-3-7-2-4/h1-3H,5H2","InChI=1S/C4H5N3/c5-4-1-6-3(4)7-2-4/h1-3H,5H2",171.93258,161.15368,
12102,[N:1]([c:2]1[c:3]([H:10])[n:4][c:5]([H:11])[n:6][c:7]1[H:12])([H:8])[H:9],[N:1]([N:4]1[C:3]([H:10])=[C:2]=[C:7]([H:12])[N:6]=[C:5]1[H:11])([H:8])[H:9],"InChI=1S/C4H5N3/c5-4-1-6-3-7-2-4/h1-3H,5H2","InChI=1S/C4H5N3/c5-7-3-1-2-6-4-7/h2-4H,5H2",152.48207,85.86811999999999,
12103,[N:1]([c:2]1[c:3]([H:10])[n:4][c:5]([H:11])[n:6][c:7]1[H:12])([H:8])[H:9],[N:1]([c:2]1[c:3]([H:10])[n:4][c:5]([H:11])[n+:6]([H:12])[c-:7]1)([H:8])[H:9],"InChI=1S/C4H5N3/c5-4-1-6-3-7-2-4/h1-3H,5H2","InChI=1S/C4H5N3/c5-4-1-6-3-7-2-4/h1,3,7H,5H2",81.07683,40.86118,
12104,[N:1]([c:2]1[c:3]([H:10])[n:4][c:5]([H:11])[n:6][c:7]1[H:12])([H:8])[H:9],[N:1]([C-:2]=[C:3]([N+:4]#[C:5][H:11])[H:10])([H:8])[H:9].[N:6]#[C:7][H:12],"InChI=1S/C4H5N3/c5-4-1-6-3-7-2-4/h1-3H,5H2","InChI=1S/C3H4N2.CHN/c1-5-3-2-4;1-2/h1,3H,4H2;1H",104.96475,110.15938999999999,
12105,[N:1]([c:2]1[c:3]([H:10])[n:4][c:5]([H:11])[n:6][c:7]1[H:12])([H:8])[H:9],[N:1]([C:2](/[C:3](=[N:4]\[H:11])[H:10])=[C:7](/[N+:6]#[C-:5])[H:12])([H:8])[H:9],"InChI=1S/C4H5N3/c5-4-1-6-3-7-2-4/h1-3H,5H2","InChI=1S/C4H5N3/c1-7-3-4(6)2-5/h2-3,5H,6H2/b4-3+,5-2-",85.21939,50.52897,
12106,[N:1]([c:2]1[c:3]([H:10])[n:4][c:5]([H:11])[n:6][c:7]1[H:12])([H:8])[H:9],[N+:1]1([H:8])([H:9])[C-:2]2[C:3]([H:10])=[N:4][C:5]1([H:11])[N:6]=[C:7]2[H:12],"InChI=1S/C4H5N3/c5-4-1-6-3-7-2-4/h1-3H,5H2","InChI=1S/C4H5N3/c1-3-2-6-4(5-1)7-3/h1-2,4H,7H2",108.19813,100.66763,
12107,[N:1]([c:2]1[c:3]([H:10])[n:4][c:5]([H:11])[n:6][c:7]1[H:12])([H:8])[H:9],[H:8][H:12].[N-:1]([c:2]1[c:3]([H:10])[n:4][c:5]([H:11])[n+:6]#[c:7]1)[H:9],"InChI=1S/C4H5N3/c5-4-1-6-3-7-2-4/h1-3H,5H2","InChI=1S/C4H3N3.H2/c5-4-1-6-3-7-2-4;/h1,3,5H;1H",78.79611,83.98893000000001,
12108,[N:1]([c:2]1[c:3]([H:10])[n:4][c:5]([H:11])[n:6][c:7]1[H:12])([H:8])[H:9],[N:1]([C:2][C@@:3]1([H:10])[N:4]=[C:5]([H:11])[N:6]=[C:7]1[H:12])([H:8])[H:9],"InChI=1S/C4H5N3/c5-4-1-6-3-7-2-4/h1-3H,5H2","InChI=1S/C4H5N3/c5-1-4-2-6-3-7-4/h2-4H,5H2/t4-/m1/s1",76.82902,68.12108,
12109,[N:1]([c:2]1[c:3]([H:10])[n:4][c:5]([H:11])[n:6][c:7]1[H:12])([H:8])[H:9],[N:1]([C:2]1=[C:7]([H:12])[N:6]=[C:5]=[N:4][C:3]1([H:10])[H:11])([H:8])[H:9],"InChI=1S/C4H5N3/c5-4-1-6-3-7-2-4/h1-3H,5H2","InChI=1S/C4H5N3/c5-4-1-6-3-7-2-4/h1H,2,5H2",116.37338999999999,64.6448,
12110,[N:1]([c:2]1[c:3]([H:10])[n:4][c:5]([H:11])[n:6][c:7]1[H:12])([H:8])[H:9],[N:1]([C:2]1([H:11])[C:3]([H:10])=[N+:4]=[C-:5][N:6]=[C:7]1[H:12])([H:8])[H:9],"InChI=1S/C4H5N3/c5-4-1-6-3-7-2-4/h1-3H,5H2","InChI=1S/C4H5N3/c5-4-1-6-3-7-2-4/h1-2,4H,5H2",97.50184,85.03477,
12111,[N:1]([c:2]1[c:3]([H:10])[n:4][c:5]([H:11])[n:6][c:7]1[H:12])([H:8])[H:9],[N:1]([C:2]1=[C:7]([H:12])[N:6]([H:11])[C-:5]=[N+:4]=[C:3]1[H:10])([H:8])[H:9],"InChI=1S/C4H5N3/c5-4-1-6-3-7-2-4/h1-3H,5H2","InChI=1S/C4H5N3/c5-4-1-6-3-7-2-4/h1-2,6H,5H2",88.10383,54.36466,
12112,[N:1]([c:2]1[c:3]([H:10])[n:4][c:5]([H:11])[n:6][c:7]1[H:12])([H:8])[H:9],[N:1](=[C:2]1/[C:3]([H:9])([H:10])[N:4]=[C:5]([H:11])[N:6]=[C:7]1[H:12])\[H:8],"InChI=1S/C4H5N3/c5-4-1-6-3-7-2-4/h1-3H,5H2","InChI=1S/C4H5N3/c5-4-1-6-3-7-2-4/h1,3,5H,2H2/b5-4+",73.51653,30.62258,
12113,[N:1]([c:2]1[c:3]([H:10])[n:4][c:5]([H:11])[n:6][c:7]1[H:12])([H:8])[H:9],[N:1](=[C:2]1[C:3]([H:10])=[N:4][C:5]([H:9])([H:11])[N:6]=[C:7]1[H:12])[H:8],"InChI=1S/C4H5N3/c5-4-1-6-3-7-2-4/h1-3H,5H2","InChI=1S/C4H5N3/c5-4-1-6-3-7-2-4/h1-2,5H,3H2",90.54791999999999,28.16763,
12114,[N:1]([c:2]1[c:3]([H:10])[n:4][c:5]([H:11])[n:6][c:7]1[H:12])([H:8])[H:9],[C:3](#[N:4])[H:10].[C:5](#[N:6])[H:11].[N:1]([C:2]#[C:7][H:12])([H:8])[H:9],"InChI=1S/C4H5N3/c5-4-1-6-3-7-2-4/h1-3H,5H2","InChI=1S/C2H3N.2CHN/c1-2-3;2*1-2/h1H,3H2;2*1H",118.00502,87.84078000000001,
12115,[N:1]([c:2]1[c:3]([H:10])[n:4][c:5]([H:11])[n:6][c:7]1[H:12])([H:8])[H:9],[N:1]([C@@:2]1([C:7](=[N+:6]=[C-:5][H:11])[H:12])[C:3]([H:10])=[N:4]1)([H:8])[H:9],"InChI=1S/C4H5N3/c5-4-1-6-3-7-2-4/h1-3H,5H2","InChI=1S/C4H5N3/c1-6-2-4(5)3-7-4/h1-3H,5H2/t4-/m1/s1",97.70734,99.16465,
12116,[N:1]([c:2]1[c:3]([H:10])[n:4][c:5]([H:11])[n:6][c:7]1[H:12])([H:8])[H:9],[N:1]([C@@:7]1([H:12])[C+:2]=[C:3]([H:10])[N:4]=[C:5]([H:11])[N-:6]1)([H:8])[H:9],"InChI=1S/C4H5N3/c5-4-1-6-3-7-2-4/h1-3H,5H2","InChI=1S/C4H5N3/c5-4-1-2-6-3-7-4/h2-4H,5H2/t4-/m1/s1",139.12284,97.42663,
12117,[N:1]([c:2]1[c:3]([H:10])[n:4][c:5]([H:11])[n:6][c:7]1[H:12])([H:8])[H:9],[N:1]([C:2]1=[C:7]([H:12])[N:6]=[C:3]1[N+:4](=[C-:5][H:11])[H:10])([H:8])[H:9],"InChI=1S/C4H5N3/c5-4-1-6-3-7-2-4/h1-3H,5H2","InChI=1S/C4H5N3/c1-6-4-3(5)2-7-4/h1-2,6H,5H2",175.63111999999998,138.972,
12118,[N:1]([c:2]1[c:3]([H:10])[n:4][c:5]([H:11])[n:6][c:7]1[H:12])([H:8])[H:9],[N:1]([C@:2]1([H:12])[C:3]([H:10])=[N:4][C:5]([H:11])=[N+:6]=[C-:7]1)([H:8])[H:9],"InChI=1S/C4H5N3/c5-4-1-6-3-7-2-4/h1-3H,5H2","InChI=1S/C4H5N3/c5-4-1-6-3-7-2-4/h1,3-4H,5H2/t4-/m1/s1",92.55085,80.13986,Singlet_Carbene_Intra_Disproportionation
12119,[C:1]([N:2]([C:3](=[O:4])[N:5](/[C:6](=[N:7]/[H:14])[H:13])[H:12])[H:11])([H:8])([H:9])[H:10],[C:1]([N:2](/[C:3]([O:4]/[C:6](=[N:7]/[H:14])[H:13])=[N:5]\[H:12])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C3H7N3O/c1-5-3(7)6-2-4/h2H,1H3,(H3,4,5,6,7)","InChI=1S/C3H7N3O/c1-6-3(5)7-2-4/h2,4H,1H3,(H2,5,6)/b4-2+",56.642880000000005,26.97543,ketoenol
12120,[C:1]([N:2]([C:3](=[O:4])[N:5](/[C:6](=[N:7]/[H:14])[H:13])[H:12])[H:11])([H:8])([H:9])[H:10],[C-:1]([N+:2](=[C:3]([O:4][H:10])[N:5](/[C:6](=[N:7]/[H:14])[H:13])[H:12])[H:11])([H:8])[H:9],"InChI=1S/C3H7N3O/c1-5-3(7)6-2-4/h2H,1H3,(H3,4,5,6,7)","InChI=1S/C3H7N3O/c1-5-3(7)6-2-4/h2,5,7H,1H2,(H2,4,6)",67.13101999999999,62.60414,
12121,[C:1]([N:2]([C:3](=[O:4])[N:5](/[C:6](=[N:7]/[H:14])[H:13])[H:12])[H:11])([H:8])([H:9])[H:10],[C:1](=[N:2][C:3](=[O:4])[N:5]([C:6]([N:7]([H:11])[H:14])([H:10])[H:13])[H:12])([H:8])[H:9],"InChI=1S/C3H7N3O/c1-5-3(7)6-2-4/h2H,1H3,(H3,4,5,6,7)","InChI=1S/C3H7N3O/c1-5-3(7)6-2-4/h1-2,4H2,(H,6,7)",64.83097,19.39189,
12122,[C:1]([N:2]([C:3](=[O:4])[N:5](/[C:6](=[N:7]/[H:14])[H:13])[H:12])[H:11])([H:8])([H:9])[H:10],[C:1]([N:2]=[C:3]=[O:4])([H:8])([H:9])[H:10].[N-:5]([C+:6]([N:7]([H:11])[H:14])[H:13])[H:12],"InChI=1S/C3H7N3O/c1-5-3(7)6-2-4/h2H,1H3,(H3,4,5,6,7)","InChI=1S/C2H3NO.CH4N2/c1-3-2-4;2-1-3/h1H3;1-2H,3H2",40.5683,21.036479999999997,Retroene
12123,[C:1]([N:2]([C:3](=[O:4])[N:5](/[C:6](=[N:7]/[H:14])[H:13])[H:12])[H:11])([H:8])([H:9])[H:10],[C:1]([N:2](/[C:3]([O:4][H:14])=[N:5]\[H:12])[H:11])([H:8])([H:9])[H:10].[C:6](#[N:7])[H:13],"InChI=1S/C3H7N3O/c1-5-3(7)6-2-4/h2H,1H3,(H3,4,5,6,7)","InChI=1S/C2H6N2O.CHN/c1-4-2(3)5;1-2/h1H3,(H3,3,4,5);1H",36.11029,29.110059999999997,Retroene
12124,[C:1]([N:2]([C:3](=[O:4])[N:5](/[C:6](=[N:7]/[H:14])[H:13])[H:12])[H:11])([H:8])([H:9])[H:10],[C:1](=[N:2][H:11])([H:8])[H:9].[C:3](=[O:4])([N:5](/[C:6](=[N:7]/[H:14])[H:13])[H:12])[H:10],"InChI=1S/C3H7N3O/c1-5-3(7)6-2-4/h2H,1H3,(H3,4,5,6,7)","InChI=1S/C2H4N2O.CH3N/c3-1-4-2-5;1-2/h1-2H,(H2,3,4,5);2H,1H2",94.58115,30.46213,
12125,[C:1]([N:2]([C:3](=[O:4])[N:5](/[C:6](=[N:7]/[H:14])[H:13])[H:12])[H:11])([H:8])([H:9])[H:10],[C:1]([N:2]([C:3]([O:4][H:12])=[N:5][C:6](=[N:7][H:14])[H:13])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C3H7N3O/c1-5-3(7)6-2-4/h2H,1H3,(H3,4,5,6,7)","InChI=1S/C3H7N3O/c1-5-3(7)6-2-4/h2H,1H3,(H3,4,5,6,7)",41.29039,16.42597,ketoenol
12126,[C:1]([N:2]([C:3](=[O:4])[N:5](/[C:6](=[N:7]/[H:14])[H:13])[H:12])[H:11])([H:8])([H:9])[H:10],[C-:1]([N+:2]([C:3](=[O:4])[N:5](/[C:6](=[N:7]/[H:14])[H:13])[H:12])([H:10])[H:11])([H:8])[H:9],"InChI=1S/C3H7N3O/c1-5-3(7)6-2-4/h2H,1H3,(H3,4,5,6,7)","InChI=1S/C3H7N3O/c1-5-3(7)6-2-4/h2H,1,5H2,(H2,4,6,7)",91.3103,71.91190999999999,
12127,[C:1]([N:2]([C:3](=[O:4])[N:5](/[C:6](=[N:7]/[H:14])[H:13])[H:12])[H:11])([H:8])([H:9])[H:10],[C:1]([O:4]/[C:3](=[N:2]/[H:11])[N:5](/[C:6](=[N:7]/[H:14])[H:13])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C3H7N3O/c1-5-3(7)6-2-4/h2H,1H3,(H3,4,5,6,7)","InChI=1S/C3H7N3O/c1-7-3(5)6-2-4/h2H,1H3,(H3,4,5,6)",66.60051999999999,18.99868,ketoenol
12128,[C:1]([N:2]([C:3](=[O:4])[N:5](/[C:6](=[N:7]/[H:14])[H:13])[H:12])[H:11])([H:8])([H:9])[H:10],[C:1]([N+:2](=[C:3]([N:5]([C:6]([O-:4])=[N:7][H:14])[H:12])[H:13])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C3H7N3O/c1-5-3(7)6-2-4/h2H,1H3,(H3,4,5,6,7)","InChI=1S/C3H7N3O/c1-5-2-6-3(4)7/h2H,1H3,(H3,4,5,6,7)",103.63627,22.86658,
12129,[C:1]([N:2]([C:3](=[O:4])[N:5](/[C:6](=[N:7]/[H:14])[H:13])[H:12])[H:11])([H:8])([H:9])[H:10],[C:1](/[N:2]=[C:3](/[O:4][H:11])[N:5](/[C:6](=[N:7]/[H:14])[H:13])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C3H7N3O/c1-5-3(7)6-2-4/h2H,1H3,(H3,4,5,6,7)","InChI=1S/C3H7N3O/c1-5-3(7)6-2-4/h2H,1H3,(H3,4,5,6,7)",40.20091,12.638060000000001,ketoenol
12130,[C:1]([N:2]([C:3](=[O:4])[N:5](/[C:6](=[N:7]/[H:14])[H:13])[H:12])[H:11])([H:8])([H:9])[H:10],[C:1]([N:2]([C:3](=[O:4])[H:12])[H:11])([H:8])([H:9])[H:10].[N:5]1=[C:6]([H:13])[N:7]1[H:14],"InChI=1S/C3H7N3O/c1-5-3(7)6-2-4/h2H,1H3,(H3,4,5,6,7)","InChI=1S/C2H5NO.CH2N2/c1-3-2-4;1-2-3-1/h2H,1H3,(H,3,4);1H,(H,2,3)",89.33694,88.50480999999999,
12131,[C:1]([N:2]([C:3](=[O:4])[N:5](/[C:6](=[N:7]/[H:14])[H:13])[H:12])[H:11])([H:8])([H:9])[H:10],[C:1]([N:2](/[C:3]([N:5]([C:6](=[O:4])[H:13])[H:12])=[N:7]\[H:14])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C3H7N3O/c1-5-3(7)6-2-4/h2H,1H3,(H3,4,5,6,7)","InChI=1S/C3H7N3O/c1-5-3(4)6-2-7/h2H,1H3,(H3,4,5,6,7)",98.13147,13.84601,
12132,[C:1]([N:2]([C:3](=[O:4])[N:5](/[C:6](=[N:7]/[H:14])[H:13])[H:12])[H:11])([H:8])([H:9])[H:10],[C:1]([N:2]([C:3](=[O:4])[N:5]([C-:6]=[N+:7]([H:13])[H:14])[H:12])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C3H7N3O/c1-5-3(7)6-2-4/h2H,1H3,(H3,4,5,6,7)","InChI=1S/C3H7N3O/c1-5-3(7)6-2-4/h4H2,1H3,(H2,5,6,7)",79.32578000000001,33.327740000000006,
12133,[C:1]([N:2]([C:3](=[O:4])[N:5](/[C:6](=[N:7]/[H:14])[H:13])[H:12])[H:11])([H:8])([H:9])[H:10],[C:1]([N:2]([C:3](=[O:4])/[N:5]=[C:6](/[N:7]([H:12])[H:14])[H:13])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C3H7N3O/c1-5-3(7)6-2-4/h2H,1H3,(H3,4,5,6,7)","InChI=1S/C3H7N3O/c1-5-3(7)6-2-4/h2H,1H3,(H3,4,5,6,7)",36.08392,-3.15251,
12134,[C:1]([N:2]([C:3](=[O:4])[N:5](/[C:6](=[N:7]/[H:14])[H:13])[H:12])[H:11])([H:8])([H:9])[H:10],[C:1]([N:2](/[C:6](=[N:7]/[H:14])[H:13])[H:11])([H:8])([H:9])[H:10].[C:3](=[O:4])=[N:5][H:12],"InChI=1S/C3H7N3O/c1-5-3(7)6-2-4/h2H,1H3,(H3,4,5,6,7)","InChI=1S/C2H6N2.CHNO/c1-4-2-3;2-1-3/h2H,1H3,(H2,3,4);2H",54.48611,16.38635,
12135,[C:1]([N:2]([C:3](=[O:4])[N:5](/[C:6](=[N:7]/[H:14])[H:13])[H:12])[H:11])([H:8])([H:9])[H:10],[C:1]([N+:2]([C:3](=[O:4])[N-:5][C:6](=[N:7][H:14])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C3H7N3O/c1-5-3(7)6-2-4/h2H,1H3,(H3,4,5,6,7)","InChI=1S/C3H7N3O/c1-5-3(7)6-2-4/h2H,1H3,(H3,4,5,6,7)",41.6117,28.279770000000003,
12136,[C:1]([N:2]([C:3](=[O:4])[N:5](/[C:6](=[N:7]/[H:14])[H:13])[H:12])[H:11])([H:8])([H:9])[H:10],[C:1]([N:2]([C@@:3]12[O:4][N:7]([H:14])[C@:6]1([H:13])[N:5]2[H:12])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C3H7N3O/c1-5-3(7)6-2-4/h2H,1H3,(H3,4,5,6,7)","InChI=1S/C3H7N3O/c1-4-3-2(5-3)6-7-3/h2,4-6H,1H3/t2-,3-/m0/s1",113.98868,105.9251,
12137,[C:1]([N:2]([C:3](=[O:4])[N:5](/[C:6](=[N:7]/[H:14])[H:13])[H:12])[H:11])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:11].[n:2]1[c:3]([O-:4])[n+:5]([H:12])[c:6]([H:13])[n:7]1[H:14],"InChI=1S/C3H7N3O/c1-5-3(7)6-2-4/h2H,1H3,(H3,4,5,6,7)","InChI=1S/C2H3N3O.CH4/c6-2-3-1-4-5-2;/h1H,(H2,3,4,5,6);1H4",81.14684,29.5063,
12138,[C:1]([N:2]([C:3](=[O:4])[N:5](/[C:6](=[N:7]/[H:14])[H:13])[H:12])[H:11])([H:8])([H:9])[H:10],[C:1]([N:2]([N:7]([C@:6]1([H:13])[C:3](=[O:4])[N:5]1[H:12])[H:14])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C3H7N3O/c1-5-3(7)6-2-4/h2H,1H3,(H3,4,5,6,7)","InChI=1S/C3H7N3O/c1-4-6-2-3(7)5-2/h2,4,6H,1H3,(H,5,7)/t2-/m1/s1",110.63261999999999,73.19238,
12139,[C:1]([N:2]([C:3](=[O:4])[N:5](/[C:6](=[N:7]/[H:14])[H:13])[H:12])[H:11])([H:8])([H:9])[H:10],[C:1]([N:2]([C:3]12[O:4][C:6]([H:13])([N:5]1[H:12])[N:7]2[H:14])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C3H7N3O/c1-5-3(7)6-2-4/h2H,1H3,(H3,4,5,6,7)","InChI=1S/C3H7N3O/c1-4-3-5-2(6-3)7-3/h2,4-6H,1H3",98.1261,95.46538000000001,
12140,[C:1]([N:2]([C:3](=[O:4])[N:5](/[C:6](=[N:7]/[H:14])[H:13])[H:12])[H:11])([H:8])([H:9])[H:10],[C:1]([N:2]([H:11])[H:14])([H:8])([H:9])[H:10].[C:3](=[O:4])=[N:5][H:12].[C:6](#[N:7])[H:13],"InChI=1S/C3H7N3O/c1-5-3(7)6-2-4/h2H,1H3,(H3,4,5,6,7)","InChI=1S/CHNO.CH5N.CHN/c2-1-3;2*1-2/h2H;2H2,1H3;1H",52.23488,35.6627,
12141,[C:1]([N:2]([C:3](=[O:4])[N:5](/[C:6](=[N:7]/[H:14])[H:13])[H:12])[H:11])([H:8])([H:9])[H:10],[C:1]1([H:8])([H:9])[N:2]=[C:3]([N:5](/[C:6](=[N:7]/[H:14])[H:13])[H:12])[O:4]1.[H:10][H:11],"InChI=1S/C3H7N3O/c1-5-3(7)6-2-4/h2H,1H3,(H3,4,5,6,7)","InChI=1S/C3H5N3O.H2/c4-1-5-3-6-2-7-3;/h1H,2H2,(H2,4,5,6);1H",98.21301,58.66315,
12142,[C:1]([N:2]([C:3](=[O:4])[N:5](/[C:6](=[N:7]/[H:14])[H:13])[H:12])[H:11])([H:8])([H:9])[H:10],[C:1]1([H:8])([H:9])[N:2]([H:11])[C@:3]12[O:4][C@@:6]([N:7]([H:10])[H:14])([H:13])[N:5]2[H:12],"InChI=1S/C3H7N3O/c1-5-3(7)6-2-4/h2H,1H3,(H3,4,5,6,7)","InChI=1S/C3H7N3O/c4-2-6-3(7-2)1-5-3/h2,5-6H,1,4H2/t2-,3-/m1/s1",100.70614,61.974790000000006,
12143,[C:1]([N:2]([C:3](=[O:4])[N:5](/[C:6](=[N:7]/[H:14])[H:13])[H:12])[H:11])([H:8])([H:9])[H:10],[C:1]([N:2]([H:10])[H:11])([O+:4]=[C-:3][N:5](/[C:6](=[N:7]/[H:14])[H:13])[H:12])([H:8])[H:9],"InChI=1S/C3H7N3O/c1-5-3(7)6-2-4/h2H,1H3,(H3,4,5,6,7)","InChI=1S/C3H7N3O/c4-1-6-3-7-2-5/h1H,2,5H2,(H2,4,6)",92.04803000000001,62.794709999999995,
12144,[N:1]#[C:2][c:3]1[c:4]([H:8])[n:5]([H:9])[n:6][n:7]1,[N:1]#[C:2][C:3](=[C:4]=[N:5][H:9])[H:8].[N:6]#[N:7],"InChI=1S/C3H2N4/c4-1-3-2-5-7-6-3/h2H,(H,5,6,7)","InChI=1S/C3H2N2.N2/c4-2-1-3-5;1-2/h1,4H;",45.06415,-22.24846,
12145,[N:1]#[C:2][c:3]1[c:4]([H:8])[n:5]([H:9])[n:6][n:7]1,[C:4]=[N:5][H:9].[N:1]#[C:2][C-:3]([N+:7]#[N:6])[H:8],"InChI=1S/C3H2N4/c4-1-3-2-5-7-6-3/h2H,(H,5,6,7)",InChI=1S/C2HN3.CHN/c3-1-2-5-4;1-2/h2H;2H,79.35039,45.273309999999995,
12146,[N:1]#[C:2][c:3]1[c:4]([H:8])[n:5]([H:9])[n:6][n:7]1,[N:1]#[C:2][C-:3](/[C:4](=[N:5]/[H:9])[H:8])[N+:7]#[N:6],"InChI=1S/C3H2N4/c4-1-3-2-5-7-6-3/h2H,(H,5,6,7)","InChI=1S/C3H2N4/c4-1-3(2-5)7-6/h1,4H/b4-1+",18.34681,8.715710000000001,
12147,[N:1]#[C:2][c:3]1[c:4]([H:8])[n:5]([H:9])[n:6][n:7]1,[N:1]#[C:2][C:4](=[C:3]=[N:7][N:6]=[N:5][H:9])[H:8],"InChI=1S/C3H2N4/c4-1-3-2-5-7-6-3/h2H,(H,5,6,7)","InChI=1S/C3H2N4/c4-2-1-3-6-7-5/h1,5H",109.95714,48.640029999999996,
12148,[N:1]#[C:2][c:3]1[c:4]([H:8])[n:5]([H:9])[n:6][n:7]1,[N:1]#[C:2][N+:7]1=[C:3]=[C:4]([H:8])[N:5]([H:9])[N-:6]1,"InChI=1S/C3H2N4/c4-1-3-2-5-7-6-3/h2H,(H,5,6,7)","InChI=1S/C3H2N4/c4-3-7-2-1-5-6-7/h1,5H",92.13036,55.243159999999996,
12149,[N:1]#[C:2][c:3]1[c:4]([H:8])[n:5]([H:9])[n:6][n:7]1,[N:1]#[C:2][C:3]1=[N:7][N:6]=[N:5][C:4]1([H:8])[H:9],"InChI=1S/C3H2N4/c4-1-3-2-5-7-6-3/h2H,(H,5,6,7)",InChI=1S/C3H2N4/c4-1-3-2-5-7-6-3/h2H2,53.33837,26.41773,
12150,[N:1]#[C:2][c:3]1[c:4]([H:8])[n:5]([H:9])[n:6][n:7]1,[N:1](=[C:2]=[C:3]1[C:4]([H:8])=[N:5][N:6]=[N:7]1)[H:9],"InChI=1S/C3H2N4/c4-1-3-2-5-7-6-3/h2H,(H,5,6,7)","InChI=1S/C3H2N4/c4-1-3-2-5-7-6-3/h2,4H",120.55641999999999,29.329179999999997,
12151,[N:1]#[C:2][c:3]1[c:4]([H:8])[n:5]([H:9])[n:6][n:7]1,[N-:1]=[C:2]=[C:4]([N:5]([N-:6][N+:7]#[C+:3])[H:9])[H:8],"InChI=1S/C3H2N4/c4-1-3-2-5-7-6-3/h2H,(H,5,6,7)","InChI=1S/C3H2N4/c1-5-7-6-3-2-4/h3,6H",96.32719,66.64564,
12152,[N:1]#[C:2][c:3]1[c:4]([H:8])[n:5]([H:9])[n:6][n:7]1,[N:1]#[C:2][C:3]1=[C:4]([H:8])[N:7]1/[N:6]=[N:5]/[H:9],"InChI=1S/C3H2N4/c4-1-3-2-5-7-6-3/h2H,(H,5,6,7)","InChI=1S/C3H2N4/c4-1-3-2-7(3)6-5/h2,5H/b6-5+",100.82836999999999,94.64362,
12153,[N:1]#[C:2][c:3]1[c:4]([H:8])[n:5]([H:9])[n:6][n:7]1,[N:1]#[C:2][C:3]#[C:4][H:8].[N:5](=[N+:6]=[N-:7])[H:9],"InChI=1S/C3H2N4/c4-1-3-2-5-7-6-3/h2H,(H,5,6,7)",InChI=1S/C3HN.HN3/c1-2-3-4;1-3-2/h1H;1H,69.1216,58.228519999999996,
12154,[N:1]#[C:2][c:3]1[c:4]([H:8])[n:5]([H:9])[n:6][n:7]1,[N:1]#[C:2][c:3]1[c:4]([H:8])[n:5][n:6]([H:9])[n:7]1,"InChI=1S/C3H2N4/c4-1-3-2-5-7-6-3/h2H,(H,5,6,7)","InChI=1S/C3H2N4/c4-1-3-2-5-7-6-3/h2H,(H,5,6,7)",46.55287,-7.06105,
12155,[N:1]#[C:2][c:3]1[c:4]([H:8])[n:5]([H:9])[n:6][n:7]1,[N+:1](#[C:2][C:3]1=[C:4]=[N+:5]([H:9])[N-:6][N-:7]1)[H:8],"InChI=1S/C3H2N4/c4-1-3-2-5-7-6-3/h2H,(H,5,6,7)",InChI=1S/C3HN4/c4-1-3-2-5-7-6-3/h5H/q-1/p+1,90.96561,51.5068,
12156,[N:1]#[C:2][c:3]1[c:4]([H:8])[n:5]([H:9])[n:6][n:7]1,[N:1]1(/[C:4](=[N:5]/[H:9])[H:8])[C:2]#[C:3]1.[N:6]#[N:7],"InChI=1S/C3H2N4/c4-1-3-2-5-7-6-3/h2H,(H,5,6,7)",InChI=1S/C3H2N2.N2/c4-3-5-1-2-5;1-2/h3-4H;/b4-3+;,120.0309,84.70191,
12157,[N:1]#[C:2][c:3]1[c:4]([H:8])[n:5]([H:9])[n:6][n:7]1,[N+:1](#[C-:2])[N+:7]1=[C:3]=[C:4]([H:8])[N:5]([H:9])[N-:6]1,"InChI=1S/C3H2N4/c4-1-3-2-5-7-6-3/h2H,(H,5,6,7)","InChI=1S/C3H2N4/c1-4-7-3-2-5-6-7/h2,5H",119.16648,99.32446,
12158,[N:1]#[C:2][c:3]1[c:4]([H:8])[n:5]([H:9])[n:6][n:7]1,[N+:1](#[C-:2])[c:3]1[c:4]([H:8])[n:5]([H:9])[n:6][n:7]1,"InChI=1S/C3H2N4/c4-1-3-2-5-7-6-3/h2H,(H,5,6,7)","InChI=1S/C3H2N4/c1-4-3-2-5-7-6-3/h2H,(H,5,6,7)",57.8287,26.02453,
12159,[N:1]#[C:2][c:3]1[c:4]([H:8])[n:5]([H:9])[n:6][n:7]1,[N:1]#[C:2][C:3]1(/[C:4](=[N:5]/[H:9])[H:8])[N:6]=[N:7]1,"InChI=1S/C3H2N4/c4-1-3-2-5-7-6-3/h2H,(H,5,6,7)","InChI=1S/C3H2N4/c4-1-3(2-5)6-7-3/h1,4H/b4-1+",126.62651000000001,34.03898,
12160,[N:1]#[C:2][c:3]1[c:4]([H:8])[n:5]([H:9])[n:6][n:7]1,[N:1]1=[C:2]=[C:3]=[C:4]1[H:8].[N:5](=[N+:6]=[N-:7])[H:9],"InChI=1S/C3H2N4/c4-1-3-2-5-7-6-3/h2H,(H,5,6,7)",InChI=1S/C3HN.HN3/c1-2-4-3-1;1-3-2/h2H;1H,161.4643,157.67775,
12161,[N:1]#[C:2][c:3]1[c:4]([H:8])[n:5]([H:9])[n:6][n:7]1,[N:1]#[C:2][C:3]1=[N:7][C@@:4]1([N:5]([N:6])[H:9])[H:8],"InChI=1S/C3H2N4/c4-1-3-2-5-7-6-3/h2H,(H,5,6,7)","InChI=1S/C3H2N4/c4-1-2-3(6-2)7-5/h3,7H/t3-/m1/s1",100.87782,75.33275,
12162,[N:1]#[C:2][c:3]1[c:4]([H:8])[n:5]([H:9])[n:6][n:7]1,[N:1]#[C:2][C:3]1=[C:4]([H:8])[N:5]1[H:9].[N:6]#[N:7],"InChI=1S/C3H2N4/c4-1-3-2-5-7-6-3/h2H,(H,5,6,7)","InChI=1S/C3H2N2.N2/c4-1-3-2-5-3;1-2/h2,5H;",51.04673,33.91592,
12163,[C:1]([C@@:2]12[O:3][C@@:4]3([H:11])[C:5]([H:12])([H:13])[C@:6]1([H:14])[C@@:7]23[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]12[O:3][C:5]([H:12])([H:13])[C@:6]1([H:14])[C@@:7]2([C:4][H:11])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-6-3-2-4(7-6)5(3)6/h3-5H,2H2,1H3/t3-,4+,5-,6-/m1/s1","InChI=1S/C6H8O/c1-4-5-3-7-6(4,5)2/h1,4-5H,3H2,2H3/t4-,5+,6-/m0/s1",95.70299,78.98048,
12164,[C:1]([C@@:2]12[O:3][C@@:4]3([H:11])[C:5]([H:12])([H:13])[C@:6]1([H:14])[C@@:7]23[H:15])([H:8])([H:9])[H:10],[C:1]([C@:2]1([C:6](=[C:5]([H:12])[H:13])[H:14])[O:3][C:4]([H:11])=[C:7]1[H:15])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-6-3-2-4(7-6)5(3)6/h3-5H,2H2,1H3/t3-,4+,5-,6-/m1/s1","InChI=1S/C6H8O/c1-3-6(2)4-5-7-6/h3-5H,1H2,2H3/t6-/m1/s1",40.897009999999995,-19.29608,
12165,[C:1]([C@@:2]12[O:3][C@@:4]3([H:11])[C:5]([H:12])([H:13])[C@:6]1([H:14])[C@@:7]23[H:15])([H:8])([H:9])[H:10],[C:1]([C@:2]1([H:14])[O:3][C@@:4]2([H:11])[C:5]([H:12])([H:13])[C:6][C@@:7]12[H:15])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-6-3-2-4(7-6)5(3)6/h3-5H,2H2,1H3/t3-,4+,5-,6-/m1/s1","InChI=1S/C6H8O/c1-4-5-2-3-6(5)7-4/h4-6H,3H2,1H3/t4-,5-,6-/m0/s1",55.82249,57.9664,
12166,[C:1]([C@@:2]12[O:3][C@@:4]3([H:11])[C:5]([H:12])([H:13])[C@:6]1([H:14])[C@@:7]23[H:15])([H:8])([H:9])[H:10],[C:1](=[C:2]1[O:3][C@@:4]2([H:11])[C:5]([H:12])([H:13])[C:6]([H:9])([H:14])[C@@:7]12[H:15])([H:8])[H:10],"InChI=1S/C6H8O/c1-6-3-2-4(7-6)5(3)6/h3-5H,2H2,1H3/t3-,4+,5-,6-/m1/s1","InChI=1S/C6H8O/c1-4-5-2-3-6(5)7-4/h5-6H,1-3H2/t5-,6-/m0/s1",55.858990000000006,-20.849529999999998,
12167,[C:1]([C@@:2]12[O:3][C@@:4]3([H:11])[C:5]([H:12])([H:13])[C@:6]1([H:14])[C@@:7]23[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]12[O:3][C@@:4]([H:11])([C:5]([H:12])([H:13])[C:6]1([H:14])[H:15])[C:7]2)([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-6-3-2-4(7-6)5(3)6/h3-5H,2H2,1H3/t3-,4+,5-,6-/m1/s1","InChI=1S/C6H8O/c1-6-3-2-5(4-6)7-6/h5H,2-3H2,1H3/t5-,6+/m0/s1",52.572540000000004,30.309859999999997,
12168,[C:1]([C@@:2]12[O:3][C@@:4]3([H:11])[C:5]([H:12])([H:13])[C@:6]1([H:14])[C@@:7]23[H:15])([H:8])([H:9])[H:10],[C:1]([C-:2]=[O+:3][C@@:4]1([H:11])[C:5]([H:12])([H:13])[C:6]([H:14])=[C:7]1[H:15])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-6-3-2-4(7-6)5(3)6/h3-5H,2H2,1H3/t3-,4+,5-,6-/m1/s1","InChI=1S/C6H8O/c1-2-7-6-4-3-5-6/h3-4,6H,5H2,1H3/t6-/m1/s1",39.92653,28.6453,
12169,[C:1]([C@@:2]12[O:3][C@@:4]3([H:11])[C:5]([H:12])([H:13])[C@:6]1([H:14])[C@@:7]23[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]12[O+:3]=[C-:4][C:5]([H:12])([H:13])[C@:6]1([H:14])[C:7]2([H:11])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-6-3-2-4(7-6)5(3)6/h3-5H,2H2,1H3/t3-,4+,5-,6-/m1/s1","InChI=1S/C6H8O/c1-6-4-5(6)2-3-7-6/h5H,2,4H2,1H3/t5-,6+/m1/s1",58.836569999999995,4.32961,
12170,[C:1]([C@@:2]12[O:3][C@@:4]3([H:11])[C:5]([H:12])([H:13])[C@:6]1([H:14])[C@@:7]23[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:7]1([H:15])[C@@:4]2([H:11])[O+:3]=[C-:2][C@:6]1([H:14])[C:5]2([H:12])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-6-3-2-4(7-6)5(3)6/h3-5H,2H2,1H3/t3-,4+,5-,6-/m1/s1","InChI=1S/C6H8O/c1-4-5-2-6(4)7-3-5/h4-6H,2H2,1H3/t4-,5+,6+/m1/s1",78.19731,16.423460000000002,
12171,[C:1]([C@@:2]12[O:3][C@@:4]3([H:11])[C:5]([H:12])([H:13])[C@:6]1([H:14])[C@@:7]23[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]12[O:3][C@@:4]([H:11])([C:5]([H:12])([H:13])[C:6]1)[C:7]2([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-6-3-2-4(7-6)5(3)6/h3-5H,2H2,1H3/t3-,4+,5-,6-/m1/s1","InChI=1S/C6H8O/c1-6-3-2-5(4-6)7-6/h5H,2,4H2,1H3/t5-,6+/m0/s1",58.553940000000004,46.06408,
12172,[C:1]([C@@:2]12[O:3][C@@:4]3([H:11])[C:5]([H:12])([H:13])[C@:6]1([H:14])[C@@:7]23[H:15])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:6]([H:14])[C@@:7]2([H:15])[C@@:4]([H:11])([O:3]1)[C:5]2([H:12])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-6-3-2-4(7-6)5(3)6/h3-5H,2H2,1H3/t3-,4+,5-,6-/m1/s1","InChI=1S/C6H8O/c1-4-2-5-3-6(5)7-4/h2,5-6H,3H2,1H3/t5-,6+/m1/s1",75.3598,-38.44482,
12173,[C:1]([C@@:2]12[O:3][C@@:4]3([H:11])[C:5]([H:12])([H:13])[C@:6]1([H:14])[C@@:7]23[H:15])([H:8])([H:9])[H:10],[C:1]([C@:2]12[O:3][C@@:4]1([H:11])[C:5]([H:12])([H:13])[C@@:6]2([C:7][H:15])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-6-3-2-4(7-6)5(3)6/h3-5H,2H2,1H3/t3-,4+,5-,6-/m1/s1","InChI=1S/C6H8O/c1-4-3-5-6(4,2)7-5/h1,4-5H,3H2,2H3/t4-,5-,6+/m0/s1",81.04295,65.3564,
12174,[C:1]([C@@:2]12[O:3][C@@:4]3([H:11])[C:5]([H:12])([H:13])[C@:6]1([H:14])[C@@:7]23[H:15])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:6]([H:14])[C:5]([H:12])([H:13])[C@:4]2([H:11])[O:3][C@:7]12[H:15])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-6-3-2-4(7-6)5(3)6/h3-5H,2H2,1H3/t3-,4+,5-,6-/m1/s1","InChI=1S/C6H8O/c1-4-2-3-5-6(4)7-5/h2,5-6H,3H2,1H3/t5-,6+/m0/s1",40.62534,-36.50698,
12175,[C:1]([C@@:2]12[O:3][C@@:4]3([H:11])[C:5]([H:12])([H:13])[C@:6]1([H:14])[C@@:7]23[H:15])([H:8])([H:9])[H:10],[C:1]([C:2](=[O:3])[C@:6]1([H:14])[C:5]([H:12])([H:13])[C:4]([H:11])=[C:7]1[H:15])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-6-3-2-4(7-6)5(3)6/h3-5H,2H2,1H3/t3-,4+,5-,6-/m1/s1","InChI=1S/C6H8O/c1-5(7)6-3-2-4-6/h2-3,6H,4H2,1H3/t6-/m0/s1",24.79412,-37.53519,
12176,[C:1]([C@@:2]12[O:3][C@@:4]3([H:11])[C:5]([H:12])([H:13])[C@:6]1([H:14])[C@@:7]23[H:15])([H:8])([H:9])[H:10],[C:1]([C:2][C@:6]1([H:14])[C:5]([H:12])([H:13])[C@:4]2([H:11])[O:3][C@@:7]21[H:15])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-6-3-2-4(7-6)5(3)6/h3-5H,2H2,1H3/t3-,4+,5-,6-/m1/s1","InChI=1S/C6H8O/c1-2-4-3-5-6(4)7-5/h4-6H,3H2,1H3/t4-,5+,6-/m1/s1",80.10213,59.60539,
12177,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])=[C:5]([H:15])[C:6]([H:16])([H:17])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])([H:17])[C:5]([H:15])=[C:6]([H:16])[O:7]1)([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-6-4-2-3-5-7-6/h2-3,6H,4-5H2,1H3/t6-/m0/s1","InChI=1S/C6H10O/c1-6-4-2-3-5-7-6/h3,5-6H,2,4H2,1H3/t6-/m0/s1",64.8682,-5.88138,
12178,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])=[C:5]([H:15])[C:6]([H:16])([H:17])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C@:5]([C:4](=[C:3]([H:12])[H:13])[H:14])([H:15])[C:6]([H:16])([H:17])[O:7]1)([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-6-4-2-3-5-7-6/h2-3,6H,4-5H2,1H3/t6-/m0/s1","InChI=1S/C6H10O/c1-3-6-4-7-5(6)2/h3,5-6H,1,4H2,2H3/t5-,6-/m0/s1",76.38835,21.46421,
12179,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])=[C:5]([H:15])[C:6]([H:16])([H:17])[O:7]1)([H:8])([H:9])[H:10],[C:1](=[C:2]([C:3](/[C:4](=[C:5](\[C:6]([O:7][H:10])([H:16])[H:17])[H:15])[H:14])([H:12])[H:13])[H:11])([H:8])[H:9],"InChI=1S/C6H10O/c1-6-4-2-3-5-7-6/h2-3,6H,4-5H2,1H3/t6-/m0/s1","InChI=1S/C6H10O/c1-2-3-4-5-6-7/h2,4-5,7H,1,3,6H2/b5-4-",65.34123000000001,13.57869,
12180,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])=[C:5]([H:15])[C:6]([H:16])([H:17])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:3]([H:12])[C:4]([H:14])=[C:5]([H:15])[C:6]([H:16])([H:17])[O:7]1)([H:8])([H:9])[H:10].[H:11][H:13],"InChI=1S/C6H10O/c1-6-4-2-3-5-7-6/h2-3,6H,4-5H2,1H3/t6-/m0/s1","InChI=1S/C6H8O.H2/c1-6-4-2-3-5-7-6;/h2-4H,5H2,1H3;1H",89.98534000000001,19.19898,
12181,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])=[C:5]([H:15])[C:6]([H:16])([H:17])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])=[C:5]=[C:6]([H:17])[O:7]1)([H:8])([H:9])[H:10].[H:15][H:16],"InChI=1S/C6H10O/c1-6-4-2-3-5-7-6/h2-3,6H,4-5H2,1H3/t6-/m0/s1","InChI=1S/C6H8O.H2/c1-6-4-2-3-5-7-6;/h2,5-6H,4H2,1H3;1H/t6-;/m0./s1",82.35014,61.76051,
12182,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])=[C:5]([H:15])[C:6]([H:16])([H:17])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C:2](=[O:7])[H:11])([H:8])([H:9])[H:10].[C:3](=[C:4]([C:5](=[C:6]([H:16])[H:17])[H:15])[H:14])([H:12])[H:13],"InChI=1S/C6H10O/c1-6-4-2-3-5-7-6/h2-3,6H,4-5H2,1H3/t6-/m0/s1","InChI=1S/C4H6.C2H4O/c1-3-4-2;1-2-3/h3-4H,1-2H2;2H,1H3",36.0754,20.410629999999998,Diels_alder_addition
12183,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])=[C:5]([H:15])[C:6]([H:16])([H:17])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C@@:2]([C:3](/[C:4](=[C:5](\[C:6][H:16])[H:15])[H:14])([H:12])[H:13])([O:7][H:17])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-6-4-2-3-5-7-6/h2-3,6H,4-5H2,1H3/t6-/m0/s1","InChI=1S/C6H10O/c1-3-4-5-6(2)7/h1,3-4,6-7H,5H2,2H3/b4-3-/t6-/m0/s1",70.55474,68.59451999999999,
12184,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])=[C:5]([H:15])[C:6]([H:16])([H:17])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C:2]1=[O+:7][C:6]([H:16])([H:17])[C:5]([H:11])([H:15])[C-:4]([H:14])[C:3]1([H:12])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-6-4-2-3-5-7-6/h2-3,6H,4-5H2,1H3/t6-/m0/s1","InChI=1S/C6H10O/c1-6-4-2-3-5-7-6/h2H,3-5H2,1H3",67.33478000000001,61.533280000000005,
12185,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])=[C:5]([H:15])[C:6]([H:16])([H:17])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:13])=[C:4]([H:14])[C:5]([H:12])([H:15])[C:6]([H:16])([H:17])[O:7]1)([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-6-4-2-3-5-7-6/h2-3,6H,4-5H2,1H3/t6-/m0/s1","InChI=1S/C6H10O/c1-6-4-2-3-5-7-6/h2,4,6H,3,5H2,1H3/t6-/m0/s1",71.22615,0.32627,
12186,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])=[C:5]([H:15])[C:6]([H:16])([H:17])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])([H:15])[C:5][C:6]([H:16])([H:17])[O:7]1)([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-6-4-2-3-5-7-6/h2-3,6H,4-5H2,1H3/t6-/m0/s1","InChI=1S/C6H10O/c1-6-4-2-3-5-7-6/h6H,2,4-5H2,1H3/t6-/m0/s1",69.02322,71.7631,Singlet_Carbene_Intra_Disproportionation
12187,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])=[C:5]([H:15])[C:6]([H:16])([H:17])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C:2]1=[O+:7][C:6]([H:16])([H:17])[C:5]([H:15])=[C-:4][C:3]1([H:12])[H:13])([H:8])([H:9])[H:10].[H:11][H:14],"InChI=1S/C6H10O/c1-6-4-2-3-5-7-6/h2-3,6H,4-5H2,1H3/t6-/m0/s1","InChI=1S/C6H8O.H2/c1-6-4-2-3-5-7-6;/h3H,4-5H2,1H3;1H",88.4477,83.92555,
12188,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])=[C:5]([H:15])[C:6]([H:16])([H:17])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:13])=[C:4]=[C:5]([H:15])[C:6]([H:16])([H:17])[O:7]1)([H:8])([H:9])[H:10].[H:12][H:14],"InChI=1S/C6H10O/c1-6-4-2-3-5-7-6/h2-3,6H,4-5H2,1H3/t6-/m0/s1","InChI=1S/C6H8O.H2/c1-6-4-2-3-5-7-6;/h3-4,6H,5H2,1H3;1H/t6-;/m0./s1",93.68305,65.36933,
12189,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])=[C:5]([H:15])[C:6]([H:16])([H:17])[O:7]1)([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:3]([C:4](=[C:5](\[C:6]([O:7][H:12])([H:16])[H:17])[H:15])/[H:14])\[H:13])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-6-4-2-3-5-7-6/h2-3,6H,4-5H2,1H3/t6-/m0/s1","InChI=1S/C6H10O/c1-2-3-4-5-6-7/h2-5,7H,6H2,1H3/b3-2+,5-4-",61.28363,9.31366,
12190,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])=[C:5]([H:15])[C:6]([H:16])([H:17])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C-:4]([H:14])[C:5]([H:15])([H:17])[C:6]([H:16])=[O+:7]1)([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-6-4-2-3-5-7-6/h2-3,6H,4-5H2,1H3/t6-/m0/s1","InChI=1S/C6H10O/c1-6-4-2-3-5-7-6/h2,5-6H,3-4H2,1H3/t6-/m0/s1",61.185959999999994,63.14768,
12191,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])=[C:5]([H:15])[C:6]([H:16])([H:17])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([C:4](=[C-:5][H:15])[H:14])([H:12])[H:13])=[O+:7][C:6]([H:11])([H:16])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-6-4-2-3-5-7-6/h2-3,6H,4-5H2,1H3/t6-/m0/s1","InChI=1S/C6H10O/c1-4-5-6(2)7-3/h1,4H,5H2,2-3H3",123.60728,88.22768,
12192,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])=[C:5]([H:15])[C:6]([H:16])([H:17])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:13])=[C:4]([H:14])[C:5]([H:15])=[C:6]([H:16])[O:7]1)([H:8])([H:9])[H:10].[H:12][H:17],"InChI=1S/C6H10O/c1-6-4-2-3-5-7-6/h2-3,6H,4-5H2,1H3/t6-/m0/s1","InChI=1S/C6H8O.H2/c1-6-4-2-3-5-7-6;/h2-6H,1H3;1H/t6-;/m0./s1",50.319320000000005,21.49794,
12193,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])=[C:5]([H:15])[C:6]([H:16])([H:17])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4][C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[O:7]1)([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-6-4-2-3-5-7-6/h2-3,6H,4-5H2,1H3/t6-/m0/s1","InChI=1S/C6H10O/c1-6-4-2-3-5-7-6/h6H,3-5H2,1H3/t6-/m0/s1",72.46806,75.12465999999999,Singlet_Carbene_Intra_Disproportionation
12194,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])=[C:5]([H:15])[C:6]([H:16])([H:17])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C@:5]1([H:15])[C-:4]([H:14])[C:3]([H:12])([H:13])[C:2]([H:11])=[O+:7][C:6]1([H:16])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-6-4-2-3-5-7-6/h2-3,6H,4-5H2,1H3/t6-/m0/s1","InChI=1S/C6H10O/c1-6-3-2-4-7-5-6/h3-4,6H,2,5H2,1H3/t6-/m1/s1",89.28359,66.2327,
12195,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])=[C:5]([H:15])[C:6]([H:16])([H:17])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C@@:2]([C:3]([C:4](=[C:5]=[C:6]([H:16])[H:17])[H:14])([H:12])[H:13])([O:7][H:15])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-6-4-2-3-5-7-6/h2-3,6H,4-5H2,1H3/t6-/m0/s1","InChI=1S/C6H10O/c1-3-4-5-6(2)7/h4,6-7H,1,5H2,2H3/t6-/m0/s1",98.48187,16.67644,
12196,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])=[C:5]([H:15])[C:6]([H:16])([H:17])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C+:3]([H:12])[C:4]([H:14])=[C-:5][C:6]([H:16])([H:17])[O:7]1)([H:8])([H:9])[H:10].[H:13][H:15],"InChI=1S/C6H10O/c1-6-4-2-3-5-7-6/h2-3,6H,4-5H2,1H3/t6-/m0/s1","InChI=1S/C6H8O.H2/c1-6-4-2-3-5-7-6;/h2,4,6H,5H2,1H3;1H/t6-;/m0./s1",105.04666999999999,90.34392,
12197,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])=[C:5]([H:15])[C:6]([H:16])([H:17])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]([H:12])[H:13])[H:11])([H:8])([H:9])[H:10].[C:4](#[C:5][H:15])[H:14].[C:6](=[O:7])([H:16])[H:17],"InChI=1S/C6H10O/c1-6-4-2-3-5-7-6/h2-3,6H,4-5H2,1H3/t6-/m0/s1","InChI=1S/C3H6.C2H2.CH2O/c1-3-2;2*1-2/h3H,1H2,2H3;1-2H;1H2",90.02901999999999,68.25191,
12198,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])=[C:5]([H:15])[C:6]([H:16])([H:17])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C:2][H:11])([H:8])([H:9])[H:10].[C:3]1([H:12])([H:13])[C:4]([H:14])=[C:5]([H:15])[C:6]([H:16])([H:17])[O:7]1,"InChI=1S/C6H10O/c1-6-4-2-3-5-7-6/h2-3,6H,4-5H2,1H3/t6-/m0/s1","InChI=1S/C4H6O.C2H4/c1-2-4-5-3-1;1-2/h1-2H,3-4H2;1H,2H3",112.35955,111.46696999999999,
12199,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])=[C:5]([H:15])[C:6]([H:16])([H:17])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:12])([H:13])[H:16])([O:7]/[C:6](=[C:5](\[C:4][H:14])[H:15])[H:17])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-6-4-2-3-5-7-6/h2-3,6H,4-5H2,1H3/t6-/m0/s1","InChI=1S/C6H10O/c1-4-5-7-6(2)3/h1,4-6H,2-3H3/b5-4-",109.46835,78.05973,
12200,[N:1]([C@@:2]([C:3]#[N:4])([C:5]1([H:11])[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])[H:10])([H:8])[H:9],[C:5]1([H:10])([H:11])[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15].[N:1]([C+:2]=[C:3]=[N-:4])([H:8])[H:9],"InChI=1S/C5H8N2/c6-3-5(7)4-1-2-4/h4-5H,1-2,7H2/t5-/m0/s1",InChI=1S/C3H6.C2H2N2/c1-2-3-1;3-1-2-4/h1-3H2;3H2,61.69628,46.37235,
12201,[N:1]([C@@:2]([C:3]#[N:4])([C:5]1([H:11])[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])[H:10])([H:8])[H:9],[H:13][H:15].[N:1]([C@@:2]([C:3]#[N:4])([C:5]1=[C:6]([H:12])[C:7]1([H:11])[H:14])[H:10])([H:8])[H:9],"InChI=1S/C5H8N2/c6-3-5(7)4-1-2-4/h4-5H,1-2,7H2/t5-/m0/s1","InChI=1S/C5H6N2.H2/c6-3-5(7)4-1-2-4;/h1,5H,2,7H2;1H/t5-;/m0./s1",159.36175,53.94503,
12202,[N:1]([C@@:2]([C:3]#[N:4])([C:5]1([H:11])[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])[H:10])([H:8])[H:9],[N:1]([C@@:2]1([H:10])/[C:3](=[N:4]/[H:11])[C:5]12[C:6]([H:12])([H:13])[C:7]2([H:14])[H:15])([H:8])[H:9],"InChI=1S/C5H8N2/c6-3-5(7)4-1-2-4/h4-5H,1-2,7H2/t5-/m0/s1","InChI=1S/C5H8N2/c6-3-4(7)5(3)1-2-5/h3,7H,1-2,6H2/b7-4-/t3-/m0/s1",107.09666999999999,35.04968,
12203,[N:1]([C@@:2]([C:3]#[N:4])([C:5]1([H:11])[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])[H:10])([H:8])[H:9],[N:1]([C:2](=[C:3]=[N:4][C:6]([C:5](=[C:7]([H:14])[H:15])[H:11])([H:12])[H:13])[H:10])([H:8])[H:9],"InChI=1S/C5H8N2/c6-3-5(7)4-1-2-4/h4-5H,1-2,7H2/t5-/m0/s1","InChI=1S/C5H8N2/c1-2-4-7-5-3-6/h2-3H,1,4,6H2",62.01774,21.27148,
12204,[N:1]([C@@:2]([C:3]#[N:4])([C:5]1([H:11])[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])[H:10])([H:8])[H:9],[N:1]([C@:5]1([H:11])[C@:2]([C:3]#[N:4])([H:10])[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])([H:8])[H:9],"InChI=1S/C5H8N2/c6-3-5(7)4-1-2-4/h4-5H,1-2,7H2/t5-/m0/s1","InChI=1S/C5H8N2/c6-3-4-1-2-5(4)7/h4-5H,1-2,7H2/t4-,5+/m1/s1",82.43378,-5.08652,
12205,[N:1]([C@@:2]([C:3]#[N:4])([C:5]1([H:11])[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])[H:10])([H:8])[H:9],[N:1]([C@@:2]([C-:3]=[N+:4]=[C:6]([H:12])[H:13])([C:5](=[C:7]([H:14])[H:15])[H:11])[H:10])([H:8])[H:9],"InChI=1S/C5H8N2/c6-3-5(7)4-1-2-4/h4-5H,1-2,7H2/t5-/m0/s1","InChI=1S/C5H8N2/c1-3-5(6)4-7-2/h3,5H,1-2,6H2/t5-/m1/s1",65.80467,38.76187,
12206,[N:1]([C@@:2]([C:3]#[N:4])([C:5]1([H:11])[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])[H:10])([H:8])[H:9],[C:5]1([H:11])=[C:6]([H:13])[C:7]1([H:14])[H:15].[N:1]([C:2](=[C:3]=[N:4][H:12])[H:10])([H:8])[H:9],"InChI=1S/C5H8N2/c6-3-5(7)4-1-2-4/h4-5H,1-2,7H2/t5-/m0/s1","InChI=1S/C3H4.C2H4N2/c1-2-3-1;3-1-2-4/h1-2H,3H2;1,4H,3H2",69.15168,68.29764,Retroene
12207,[N:1]([C@@:2]([C:3]#[N:4])([C:5]1([H:11])[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])[H:10])([H:8])[H:9],[C:6](=[C:7]([H:14])[H:15])([H:12])[H:13].[N:1](/[C:2](=[C:5](/[N+:4]#[C-:3])[H:11])[H:10])([H:8])[H:9],"InChI=1S/C5H8N2/c6-3-5(7)4-1-2-4/h4-5H,1-2,7H2/t5-/m0/s1","InChI=1S/C3H4N2.C2H4/c1-5-3-2-4;1-2/h2-3H,4H2;1-2H2/b3-2+;",86.16233000000001,31.9997,
12208,[N:1]([C@@:2]([C:3]#[N:4])([C:5]1([H:11])[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])[H:10])([H:8])[H:9],[N:1]([C:3]1=[N:4][C@:2]1([C:5]1([H:11])[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])[H:10])([H:8])[H:9],"InChI=1S/C5H8N2/c6-3-5(7)4-1-2-4/h4-5H,1-2,7H2/t5-/m0/s1","InChI=1S/C5H8N2/c6-5-4(7-5)3-1-2-3/h3-4H,1-2H2,(H2,6,7)/t4-/m0/s1",74.16583,24.164070000000002,
12209,[N:1]([C@@:2]([C:3]#[N:4])([C:5]1([H:11])[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])[H:10])([H:8])[H:9],[N-:1]([C@@:2]([C:3]#[N:4])([C:5]([C:7]([C+:6]([H:12])[H:13])([H:14])[H:15])([H:9])[H:11])[H:10])[H:8],"InChI=1S/C5H8N2/c6-3-5(7)4-1-2-4/h4-5H,1-2,7H2/t5-/m0/s1","InChI=1S/C5H8N2/c1-2-3-5(7)4-6/h5,7H,1-3H2/t5-/m1/s1",75.4523,70.68038,
12210,[N:1]([C@@:2]([C:3]#[N:4])([C:5]1([H:11])[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])[H:10])([H:8])[H:9],[N:1]([C@@:2]([N+:4]#[C-:3])([C:5]1([H:11])[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])[H:10])([H:8])[H:9],"InChI=1S/C5H8N2/c6-3-5(7)4-1-2-4/h4-5H,1-2,7H2/t5-/m0/s1","InChI=1S/C5H8N2/c1-7-5(6)4-2-3-4/h4-5H,2-3,6H2/t5-/m0/s1",43.59936,22.205560000000002,
12211,[N:1]([C@@:2]([C:3]#[N:4])([C:5]1([H:11])[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])[H:10])([H:8])[H:9],[C:6](=[C:7]([H:14])[H:15])([H:12])[H:13].[N:1](/[C:2](=[C:5](/[C:3]#[N:4])[H:11])[H:10])([H:8])[H:9],"InChI=1S/C5H8N2/c6-3-5(7)4-1-2-4/h4-5H,1-2,7H2/t5-/m0/s1","InChI=1S/C3H4N2.C2H4/c4-2-1-3-5;1-2/h1-2H,4H2;1-2H2/b2-1+;",68.28028,2.70224,
12212,[N:1]([C@@:2]([C:3]#[N:4])([C:5]1([H:11])[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])[H:10])([H:8])[H:9],[C:3]=[N:4][H:8].[N:1](=[C:2](\[C:5]1([H:11])[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])[H:10])\[H:9],"InChI=1S/C5H8N2/c6-3-5(7)4-1-2-4/h4-5H,1-2,7H2/t5-/m0/s1","InChI=1S/C4H7N.CHN/c5-3-4-1-2-4;1-2/h3-5H,1-2H2;2H/b5-3-;",42.73166,38.4967,
12213,[N:1]([C@@:2]([C:3]#[N:4])([C:5]1([H:11])[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])[H:10])([H:8])[H:9],[N:1]([C@@:2]([C:3]#[N:4])([C:5][C:6]([C:7]([H:11])([H:14])[H:15])([H:12])[H:13])[H:10])([H:8])[H:9],"InChI=1S/C5H8N2/c6-3-5(7)4-1-2-4/h4-5H,1-2,7H2/t5-/m0/s1","InChI=1S/C5H8N2/c1-2-3-5(7)4-6/h5H,2,7H2,1H3/t5-/m1/s1",65.24403000000001,69.2046,
12214,[N:1]([C@@:2]([C:3]#[N:4])([C:5]1([H:11])[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])[H:10])([H:8])[H:9],[N:1]([C@@:2]([C:3]#[N:4])([C@:5]([C:6]([H:12])([H:13])[H:14])([C:7][H:15])[H:11])[H:10])([H:8])[H:9],"InChI=1S/C5H8N2/c6-3-5(7)4-1-2-4/h4-5H,1-2,7H2/t5-/m0/s1","InChI=1S/C5H8N2/c1-4(2)5(7)3-6/h1,4-5H,7H2,2H3/t4-,5-/m0/s1",68.53578,75.44561,
12215,[N:1]([C@@:2]([C:3]#[N:4])([C:5]1([H:11])[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])[H:10])([H:8])[H:9],[C:5](=[C:6]([H:12])[H:13])([C:7]([H:9])([H:14])[H:15])[H:11].[N:1](=[C:2](\[C:3]#[N:4])[H:10])\[H:8],"InChI=1S/C5H8N2/c6-3-5(7)4-1-2-4/h4-5H,1-2,7H2/t5-/m0/s1","InChI=1S/C3H6.C2H2N2/c1-3-2;3-1-2-4/h3H,1H2,2H3;1,3H/b;3-1-",60.90221999999999,10.46183,
12216,[N:1]([C@@:2]([C:3]#[N:4])([C:5]1([H:11])[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])[H:10])([H:8])[H:9],[N:1]([C@@:2]1([H:10])[C:3][N:4]([H:15])[C@:7]2([H:14])[C@@:5]1([H:11])[C:6]2([H:12])[H:13])([H:8])[H:9],"InChI=1S/C5H8N2/c6-3-5(7)4-1-2-4/h4-5H,1-2,7H2/t5-/m0/s1","InChI=1S/C5H8N2/c6-4-2-7-5-1-3(4)5/h3-5,7H,1,6H2/t3-,4-,5-/m0/s1",81.97628,45.99054,
12217,[N:1]([C@@:2]([C:3]#[N:4])([C:5]1([H:11])[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])[H:10])([H:8])[H:9],[N:1]([C:7]([C:6](/[C:5](=[C:2](/[C:3]#[N:4])[H:10])[H:11])([H:12])[H:13])([H:14])[H:15])([H:8])[H:9],"InChI=1S/C5H8N2/c6-3-5(7)4-1-2-4/h4-5H,1-2,7H2/t5-/m0/s1","InChI=1S/C5H8N2/c6-4-2-1-3-5-7/h1-2H,3,5,7H2/b2-1+",63.39193,-10.07364,
12218,[N:1]([C@@:2]([C:3]#[N:4])([C:5]1([H:11])[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])[H:10])([H:8])[H:9],[C:3](#[N:4])[C:5]1([H:11])[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15].[N:1]([C:2][H:10])([H:8])[H:9],"InChI=1S/C5H8N2/c6-3-5(7)4-1-2-4/h4-5H,1-2,7H2/t5-/m0/s1","InChI=1S/C4H5N.CH3N/c5-3-4-1-2-4;1-2/h4H,1-2H2;1H,2H2",67.51448,58.1468,
12219,[N:1]([C@@:2]([C:3]#[N:4])([C:5]1([H:11])[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])[H:10])([H:8])[H:9],[C:2]([C:3]#[N:4])(=[C:5]1[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])[H:10].[N:1]([H:8])([H:9])[H:11],"InChI=1S/C5H8N2/c6-3-5(7)4-1-2-4/h4-5H,1-2,7H2/t5-/m0/s1","InChI=1S/C5H5N.H3N/c6-4-3-5-1-2-5;/h3H,1-2H2;1H3",66.04571999999999,16.73957,"1,3_NH3_elimination"
12220,[N:1]([C@@:2]([C:3]#[N:4])([C:5]1([H:11])[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])[H:10])([H:8])[H:9],[N:1]([C@@:2]1([H:10])/[C:3](=[N:4]/[H:15])[C@:7]2([H:14])[C@@:5]1([H:11])[C:6]2([H:12])[H:13])([H:8])[H:9],"InChI=1S/C5H8N2/c6-3-5(7)4-1-2-4/h4-5H,1-2,7H2/t5-/m0/s1","InChI=1S/C5H8N2/c6-4-2-1-3(2)5(4)7/h2-4,7H,1,6H2/b7-5+/t2-,3+,4-/m1/s1",94.39007,16.70543,
12221,[N:1]([C@@:2]([C:3]#[N:4])([C:5]1([H:11])[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])[H:10])([H:8])[H:9],[N+:1]([C-:2]([C:3]#[N:4])[H:10])([C:7]([C:5](=[C:6]([H:12])[H:13])[H:11])([H:14])[H:15])([H:8])[H:9],"InChI=1S/C5H8N2/c6-3-5(7)4-1-2-4/h4-5H,1-2,7H2/t5-/m0/s1","InChI=1S/C5H8N2/c1-2-4-7-5-3-6/h2,5H,1,4,7H2",65.44134,46.19317,
12222,[N:1]([C@@:2]([C:3]#[N:4])([C:5]1([H:11])[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])[H:10])([H:8])[H:9],[N:1](/[C:2](=[C:5](/[C:6]([C:7]([C:3]#[N:4])([H:14])[H:15])([H:12])[H:13])[H:11])[H:10])([H:8])[H:9],"InChI=1S/C5H8N2/c6-3-5(7)4-1-2-4/h4-5H,1-2,7H2/t5-/m0/s1","InChI=1S/C5H8N2/c6-4-2-1-3-5-7/h2,4H,1,3,6H2/b4-2+",64.29964,-13.283760000000001,
12223,[N:1]([C@@:2]([C:3]#[N:4])([C:5]1([H:11])[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])[H:10])([H:8])[H:9],[N+:1]1([H:8])([H:9])[C@:2]([C:3]#[N:4])([H:10])[C-:5]1[C:7]([C:6]([H:11])([H:12])[H:13])([H:14])[H:15],"InChI=1S/C5H8N2/c6-3-5(7)4-1-2-4/h4-5H,1-2,7H2/t5-/m0/s1","InChI=1S/C5H8N2/c1-2-4-5(3-6)7-4/h5H,2,7H2,1H3/t5-/m0/s1",66.61485,56.377790000000005,
12224,[N:1]([C@@:2]([C:3]#[N:4])([C:5]1([H:11])[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])[H:10])([H:8])[H:9],[N:1]([N:4]=[C:3]=[C:2]([C:5]1([H:11])[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])[H:10])([H:8])[H:9],"InChI=1S/C5H8N2/c6-3-5(7)4-1-2-4/h4-5H,1-2,7H2/t5-/m0/s1","InChI=1S/C5H8N2/c6-7-4-3-5-1-2-5/h3,5H,1-2,6H2",79.00766,38.16167,
12225,[N:1]([C@@:2]([C:3]#[N:4])([C:5]1([H:11])[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])[H:10])([H:8])[H:9],[C:2](\[C:3]#[N:4])(=[C:5](/[C:7](=[C:6]([H:12])[H:13])[H:14])[H:11])[H:10].[N:1]([H:8])([H:9])[H:15],"InChI=1S/C5H8N2/c6-3-5(7)4-1-2-4/h4-5H,1-2,7H2/t5-/m0/s1","InChI=1S/C5H5N.H3N/c1-2-3-4-5-6;/h2-4H,1H2;1H3/b4-3+;",74.2268,1.0511700000000002,
12226,[N:1]([C@@:2]([C:3]#[N:4])([C:5]1([H:11])[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])[H:10])([H:8])[H:9],[C+:2](=[C:3]=[N-:4])[C:5]1([H:11])[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15].[N:1]([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c6-3-5(7)4-1-2-4/h4-5H,1-2,7H2/t5-/m0/s1","InChI=1S/C5H5N.H3N/c6-4-3-5-1-2-5;/h5H,1-2H2;1H3",61.93863,64.66495,
12227,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5](=[O:6])[C:7]1([H:12])[H:13],[O:1]=[C:2]([C:3]([H:8])([H:9])[H:10])[C:7]([C:5](=[C+:4][H:11])[O-:6])([H:12])[H:13],InChI=1S/C5H6O2/c6-4-1-2-5(7)3-4/h1-3H2,"InChI=1S/C5H6O2/c1-4(6)3-5(2)7/h1H,3H2,2H3",79.90534,83.60644,
12228,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5](=[O:6])[C:7]1([H:12])[H:13],[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5]([O:6][H:13])=[C:7]1[H:12],InChI=1S/C5H6O2/c6-4-1-2-5(7)3-4/h1-3H2,"InChI=1S/C5H6O2/c6-4-1-2-5(7)3-4/h3,6H,1-2H2",58.99711,-3.3592800000000005,ketoenol
12229,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5](=[O:6])[C:7]1([H:12])[H:13],[O:1]=[C:2]1[C:5](=[O:6])[C:4]([H:10])([H:11])[C:3]([H:8])([H:9])[C:7]1([H:12])[H:13],InChI=1S/C5H6O2/c6-4-1-2-5(7)3-4/h1-3H2,InChI=1S/C5H6O2/c6-4-2-1-3-5(4)7/h1-3H2,88.29869000000001,7.03902,
12230,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5](=[O:6])[C:7]1([H:12])[H:13],[C:5](=[O:6])=[C:7]([H:12])[H:13].[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]1([H:10])[H:11],InChI=1S/C5H6O2/c6-4-1-2-5(7)3-4/h1-3H2,InChI=1S/C3H4O.C2H2O/c4-3-1-2-3;1-2-3/h1-2H2;1H2,81.35465,57.26186,
12231,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5](=[O:6])[C:7]1([H:12])[H:13],[O:1]1[C:2]2([C:3]([H:8])([H:9])[C:4]2([H:10])[H:11])[C:7]([H:12])([H:13])[C:5]1=[O:6],InChI=1S/C5H6O2/c6-4-1-2-5(7)3-4/h1-3H2,InChI=1S/C5H6O2/c6-4-3-5(7-4)1-2-5/h1-3H2,83.92594,25.95429,
12232,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5](=[O:6])[C:7]1([H:12])[H:13],[O:1]=[C:2]([C:3]([C@@:4]1([H:11])[C:5](=[O:6])[C:7]1([H:12])[H:13])([H:8])[H:9])[H:10],InChI=1S/C5H6O2/c6-4-1-2-5(7)3-4/h1-3H2,"InChI=1S/C5H6O2/c6-2-1-4-3-5(4)7/h2,4H,1,3H2/t4-/m1/s1",99.6038,43.41599,
12233,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5](=[O:6])[C:7]1([H:12])[H:13],[O:1]1[C:2](=[C:7]([H:12])[H:13])[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5]1=[O:6],InChI=1S/C5H6O2/c6-4-1-2-5(7)3-4/h1-3H2,InChI=1S/C5H6O2/c1-4-2-3-5(6)7-4/h1-3H2,59.79141,-0.40836999999999996,ketoenol
12234,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5](=[O:6])[C:7]1([H:12])[H:13],[O:1]=[C:2]=[C:7]([C:5]([C:4]([C:3]([H:8])([H:9])[H:13])([H:10])[H:11])=[O:6])[H:12],InChI=1S/C5H6O2/c6-4-1-2-5(7)3-4/h1-3H2,"InChI=1S/C5H6O2/c1-2-5(7)3-4-6/h3H,2H2,1H3",69.54626,6.916930000000001,
12235,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5](=[O:6])[C:7]1([H:12])[H:13],[C:4]1([H:10])([H:11])[C:5](=[C:7]([H:12])[H:13])[O:6]1.[O:1]=[C:2]=[C:3]([H:8])[H:9],InChI=1S/C5H6O2/c6-4-1-2-5(7)3-4/h1-3H2,InChI=1S/C3H4O.C2H2O/c1-3-2-4-3;1-2-3/h1-2H2;1H2,80.90343,67.67758,
12236,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5](=[O:6])[C:7]1([H:12])[H:13],[O:1]=[C:2]([C:3]1([H:8])[C:4]([H:10])([H:11])[C:5](=[O:6])[C:7]1([H:12])[H:13])[H:9],InChI=1S/C5H6O2/c6-4-1-2-5(7)3-4/h1-3H2,"InChI=1S/C5H6O2/c6-3-4-1-5(7)2-4/h3-4H,1-2H2",76.08008000000001,22.229689999999998,
12237,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5](=[O:6])[C:7]1([H:12])[H:13],[O:1]=[C:2]([C:3]([C:4](=[C:5]=[O:6])[H:10])([H:8])[H:9])[C:7]([H:11])([H:12])[H:13],InChI=1S/C5H6O2/c6-4-1-2-5(7)3-4/h1-3H2,"InChI=1S/C5H6O2/c1-5(7)3-2-4-6/h2H,3H2,1H3",80.27967,16.571579999999997,
12238,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5](=[O:6])[C:7]1([H:12])[H:13],[C-:5]#[O+:6].[C:3](=[C:4]([H:10])[H:11])([H:8])[H:9].[O:1]=[C:2]=[C:7]([H:12])[H:13],InChI=1S/C5H6O2/c6-4-1-2-5(7)3-4/h1-3H2,InChI=1S/C2H2O.C2H4.CO/c1-2-3;2*1-2/h1H2;1-2H2;,70.65954,42.375440000000005,
12239,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5](=[O:6])[C:7]1([H:12])[H:13],[H:9][H:10].[O:1]=[C:2]1[C:3]([H:8])=[C:4]([H:11])[C:5](=[O:6])[C:7]1([H:12])[H:13],InChI=1S/C5H6O2/c6-4-1-2-5(7)3-4/h1-3H2,"InChI=1S/C5H4O2.H2/c6-4-1-2-5(7)3-4;/h1-2H,3H2;1H",108.84705,22.654139999999998,
12240,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5](=[O:6])[C:7]1([H:12])[H:13],[O:1]=[C:2]([C:7]([C:5]([C:4](=[C:3]([H:8])[H:9])[H:10])=[O:6])([H:12])[H:13])[H:11],InChI=1S/C5H6O2/c6-4-1-2-5(7)3-4/h1-3H2,"InChI=1S/C5H6O2/c1-2-5(7)3-4-6/h2,4H,1,3H2",83.80378,19.251720000000002,
12241,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5](=[O:6])[C:7]1([H:12])[H:13],[O:1]=[C:2]=[C:3]([C:4]([C:5]([O:6][H:9])=[C:7]([H:12])[H:13])([H:10])[H:11])[H:8],InChI=1S/C5H6O2/c6-4-1-2-5(7)3-4/h1-3H2,"InChI=1S/C5H6O2/c1-5(7)3-2-4-6/h2,7H,1,3H2",65.72204,25.596410000000002,
12242,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5](=[O:6])[C:7]1([H:12])[H:13],[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:11])=[C:5]([O:6][H:10])[C:7]1([H:12])[H:13],InChI=1S/C5H6O2/c6-4-1-2-5(7)3-4/h1-3H2,"InChI=1S/C5H6O2/c6-4-1-2-5(7)3-4/h1,6H,2-3H2",65.84089,6.170030000000001,ketoenol
12243,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5](=[O:6])[C:7]1([H:12])[H:13],[O-:1][O+:6]=[C:5]1[C:4]([H:10])([H:11])[C:3]([H:8])([H:9])[C:2][C:7]1([H:12])[H:13],InChI=1S/C5H6O2/c6-4-1-2-5(7)3-4/h1-3H2,"InChI=1S/C5H6O2/c6-7-5-3-1-2-4-5/h1,3-4H2",184.54131999999998,176.17366,
12244,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5](=[O:6])[C:7]1([H:12])[H:13],[O:1]=[C:2]1[C:3]([H:8])([H:9])[O:6][C:5](=[C:4]([H:10])[H:11])[C:7]1([H:12])[H:13],InChI=1S/C5H6O2/c6-4-1-2-5(7)3-4/h1-3H2,InChI=1S/C5H6O2/c1-4-2-5(6)3-7-4/h1-3H2,99.23191,18.62952,ketoenol
12245,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5](=[O:6])[C:7]1([H:12])[H:13],[H:8][H:12].[O:1]=[C:2]([C:3](=[C:4]([H:10])[H:11])[H:9])[C:7](=[C:5]=[O:6])[H:13],InChI=1S/C5H6O2/c6-4-1-2-5(7)3-4/h1-3H2,"InChI=1S/C5H4O2.H2/c1-2-5(7)3-4-6;/h2-3H,1H2;1H",91.1402,37.83345,
12246,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5](=[O:6])[C:7]1([H:12])[H:13],[O:1]1[C:2](=[C:3]([H:8])[H:9])[C:7]([H:12])([H:13])[C@@:5]12[C:4]([H:10])([H:11])[O:6]2,InChI=1S/C5H6O2/c6-4-1-2-5(7)3-4/h1-3H2,InChI=1S/C5H6O2/c1-4-2-5(7-4)3-6-5/h1-3H2/t5-/m0/s1,95.82381,55.51107,
12247,[C:1]([n:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([C:6]([H:13])([H:14])[H:15])[n:7]1)([H:8])([H:9])[H:10],[C:1]([N+:2]1([H:13])[C:3]([H:11])=[C:4]([H:12])[C:5](=[C:6]([H:14])[H:15])[N-:7]1)([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5-3-4-7(2)6-5/h3-4H,1-2H3","InChI=1S/C5H8N2/c1-5-3-4-7(2)6-5/h3-4,7H,1H2,2H3",111.52089,65.99833000000001,
12248,[C:1]([n:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([C:6]([H:13])([H:14])[H:15])[n:7]1)([H:8])([H:9])[H:10],[C-:1]([n+:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([C:6]([H:13])([H:14])[H:15])[n:7]1[H:10])([H:8])[H:9],"InChI=1S/C5H8N2/c1-5-3-4-7(2)6-5/h3-4H,1-2H3","InChI=1S/C5H8N2/c1-5-3-4-7(2)6-5/h3-4,6H,2H2,1H3",64.78784,53.06811,
12249,[C:1]([n:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([C:6]([H:13])([H:14])[H:15])[n:7]1)([H:8])([H:9])[H:10],[C-:1]([N+:2]1=[C:3]([H:11])[C:4]([H:10])([H:12])[C:5]([C:6]([H:13])([H:14])[H:15])=[N:7]1)([H:8])[H:9],"InChI=1S/C5H8N2/c1-5-3-4-7(2)6-5/h3-4H,1-2H3","InChI=1S/C5H8N2/c1-5-3-4-7(2)6-5/h4H,2-3H2,1H3",96.18245,51.88275,
12250,[C:1]([n:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([C:6]([H:13])([H:14])[H:15])[n:7]1)([H:8])([H:9])[H:10],[C:1](=[N+:2]1[C:3]([H:11])=[C:4]([H:12])[C@:5]([C:6]([H:13])([H:14])[H:15])([H:10])[N-:7]1)([H:8])[H:9],"InChI=1S/C5H8N2/c1-5-3-4-7(2)6-5/h3-4H,1-2H3","InChI=1S/C5H8N2/c1-5-3-4-7(2)6-5/h3-5H,2H2,1H3/t5-/m1/s1",98.28189,47.34763,
12251,[C:1]([n:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([C:6]([H:13])([H:14])[H:15])[n:7]1)([H:8])([H:9])[H:10],[C:1]([N+:2]1=[C:3]([H:11])[C:4]([H:12])([H:13])[C:5](=[C:6]([H:14])[H:15])[N-:7]1)([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5-3-4-7(2)6-5/h3-4H,1-2H3","InChI=1S/C5H8N2/c1-5-3-4-7(2)6-5/h4H,1,3H2,2H3",94.96695,40.685629999999996,
12252,[C:1]([n:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([C:6]([H:13])([H:14])[H:15])[n:7]1)([H:8])([H:9])[H:10],[C:1]([N:2]=[C:3]([C:4](=[C:5]=[N:7][C:6]([H:13])([H:14])[H:15])[H:12])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5-3-4-7(2)6-5/h3-4H,1-2H3","InChI=1S/C5H8N2/c1-6-4-3-5-7-2/h3-4H,1-2H3",83.28947,27.062520000000003,
12253,[C:1]([n:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([C:6]([H:13])([H:14])[H:15])[n:7]1)([H:8])([H:9])[H:10],[C:1](/[N:2]=[C:3](/[C@:4]1([H:12])[C:5]([C:6]([H:13])([H:14])[H:15])=[N:7]1)[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5-3-4-7(2)6-5/h3-4H,1-2H3","InChI=1S/C5H8N2/c1-4-5(7-4)3-6-2/h3,5H,1-2H3/b6-3+/t5-/m1/s1",73.1212,38.14073,
12254,[C:1]([n:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([C:6]([H:13])([H:14])[H:15])[n:7]1)([H:8])([H:9])[H:10],[C:1]([N:2]1[C:3]([H:11])=[C+:4][C@@:5]([C:6]([H:13])([H:14])[H:15])([H:12])[N-:7]1)([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5-3-4-7(2)6-5/h3-4H,1-2H3","InChI=1S/C5H8N2/c1-5-3-4-7(2)6-5/h4-5H,1-2H3/t5-/m0/s1",80.87795,79.71667,
12255,[C:1]([n:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([C:6]([H:13])([H:14])[H:15])[n:7]1)([H:8])([H:9])[H:10],[C:1](=[N+:2]1[C:3]([H:10])([H:11])[C:4]([H:12])=[C:5]([C:6]([H:13])([H:14])[H:15])[N-:7]1)([H:8])[H:9],"InChI=1S/C5H8N2/c1-5-3-4-7(2)6-5/h3-4H,1-2H3","InChI=1S/C5H8N2/c1-5-3-4-7(2)6-5/h3H,2,4H2,1H3",90.48824,39.20706,
12256,[C:1]([n:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([C:6]([H:13])([H:14])[H:15])[n:7]1)([H:8])([H:9])[H:10],[C:1]([N+:2]1([H:11])[C-:3]=[C:4]([H:12])[C:5]([C:6]([H:13])([H:14])[H:15])=[N:7]1)([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5-3-4-7(2)6-5/h3-4H,1-2H3","InChI=1S/C5H8N2/c1-5-3-4-7(2)6-5/h3,7H,1-2H3",82.40630999999999,69.4983,
12257,[C:1]([n:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([C:6]([H:13])([H:14])[H:15])[n:7]1)([H:8])([H:9])[H:10],[C:1]([N+:2]1=[C:3]=[C:4]([H:12])[C:5](=[C:6]([H:14])[H:15])[N-:7]1)([H:8])([H:9])[H:10].[H:11][H:13],"InChI=1S/C5H8N2/c1-5-3-4-7(2)6-5/h3-4H,1-2H3","InChI=1S/C5H6N2.H2/c1-5-3-4-7(2)6-5;/h3H,1H2,2H3;1H",143.11291,94.12715,
12258,[C:1]([n:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([C:6]([H:13])([H:14])[H:15])[n:7]1)([H:8])([H:9])[H:10],[C:1]([n:7]1[n:2][c:3]([H:11])[c:4]([H:12])[c:5]1[C:6]([H:13])([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5-3-4-7(2)6-5/h3-4H,1-2H3","InChI=1S/C5H8N2/c1-5-3-4-6-7(5)2/h3-4H,1-2H3",61.8923,-0.24353000000000002,
12259,[C:1]([n:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([C:6]([H:13])([H:14])[H:15])[n:7]1)([H:8])([H:9])[H:10],[C:1]([C@@:3]1([H:11])[N:2]=[N:7][C:5]([C:6]([H:13])([H:14])[H:15])=[C:4]1[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5-3-4-7(2)6-5/h3-4H,1-2H3","InChI=1S/C5H8N2/c1-4-3-5(2)7-6-4/h3-4H,1-2H3/t4-/m1/s1",59.55868,24.160829999999997,
12260,[C:1]([n:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([C:6]([H:13])([H:14])[H:15])[n:7]1)([H:8])([H:9])[H:10],[C-:1]([N+:2]1([H:10])[C:3]([H:11])=[C:4]([H:12])[C:5]([C:6]([H:13])([H:14])[H:15])=[N:7]1)([H:8])[H:9],"InChI=1S/C5H8N2/c1-5-3-4-7(2)6-5/h3-4H,1-2H3","InChI=1S/C5H8N2/c1-5-3-4-7(2)6-5/h3-4,7H,2H2,1H3",96.27303,90.63025999999999,
12261,[C:1]([n:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([C:6]([H:13])([H:14])[H:15])[n:7]1)([H:8])([H:9])[H:10],[C:1]([N:2]1[C:3]([H:11])=[C:4]([H:12])[C:5](=[C:6]([H:14])[H:15])[N:7]1[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5-3-4-7(2)6-5/h3-4H,1-2H3","InChI=1S/C5H8N2/c1-5-3-4-7(2)6-5/h3-4,6H,1H2,2H3",77.35799,33.66342,
12262,[C:1]([n:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([C:6]([H:13])([H:14])[H:15])[n:7]1)([H:8])([H:9])[H:10],[C-:1]([N+:2]1=[C:3]=[C:4]([H:12])[C:5]([C:6]([H:13])([H:14])[H:15])=[N:7]1)([H:8])[H:9].[H:10][H:11],"InChI=1S/C5H8N2/c1-5-3-4-7(2)6-5/h3-4H,1-2H3","InChI=1S/C5H6N2.H2/c1-5-3-4-7(2)6-5;/h3H,2H2,1H3;1H",105.85346000000001,93.33744,
12263,[C:1]([n:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([C:6]([H:13])([H:14])[H:15])[n:7]1)([H:8])([H:9])[H:10],[C:1]([N-:2][N+:7]1=[C:5]([C:6]([H:13])([H:14])[H:15])[C:4]([H:12])=[C:3]1[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5-3-4-7(2)6-5/h3-4H,1-2H3","InChI=1S/C5H8N2/c1-5-3-4-7(5)6-2/h3-4H,1-2H3",107.53475,93.73389,
12264,[C:1]([n:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([C:6]([H:13])([H:14])[H:15])[n:7]1)([H:8])([H:9])[H:10],[C:1](=[N+:2]1[C:3]([H:11])=[C:4]=[C:5]([C:6]([H:13])([H:14])[H:15])[N-:7]1)([H:8])[H:9].[H:10][H:12],"InChI=1S/C5H8N2/c1-5-3-4-7(2)6-5/h3-4H,1-2H3","InChI=1S/C5H6N2.H2/c1-5-3-4-7(2)6-5;/h4H,2H2,1H3;1H",129.37761,101.07103000000001,
12265,[C:1]([n:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([C:6]([H:13])([H:14])[H:15])[n:7]1)([H:8])([H:9])[H:10],[C:1]([N:2]1[C@:3]2([H:11])[C:4]([H:12])=[C:5]([C:6]([H:13])([H:14])[H:15])[N:7]12)([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5-3-4-7(2)6-5/h3-4H,1-2H3","InChI=1S/C5H8N2/c1-4-3-5-6(2)7(4)5/h3,5H,1-2H3/t5-,6?,7?/m0/s1",106.51942,84.6047,
12266,[C:1]([n:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([C:6]([H:13])([H:14])[H:15])[n:7]1)([H:8])([H:9])[H:10],[C:1]([N:2]1[C:3]([H:11])([H:13])[C+:4]([H:12])[C:5](=[C:6]([H:14])[H:15])[N-:7]1)([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5-3-4-7(2)6-5/h3-4H,1-2H3","InChI=1S/C5H8N2/c1-5-3-4-7(2)6-5/h3H,1,4H2,2H3",111.51481000000001,67.05721,
12267,[C:1]([n:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([C:6]([H:13])([H:14])[H:15])[n:7]1)([H:8])([H:9])[H:10],[C:1]([N:2]1[C:3]([H:11])([H:12])[C+:4]=[C:5]([C:6]([H:13])([H:14])[H:15])[N-:7]1)([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5-3-4-7(2)6-5/h3-4H,1-2H3","InChI=1S/C5H8N2/c1-5-3-4-7(2)6-5/h4H2,1-2H3",77.63627,75.19311,Singlet_Carbene_Intra_Disproportionation
12268,[C:1]([n:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([C:6]([H:13])([H:14])[H:15])[n:7]1)([H:8])([H:9])[H:10],[C:1]([N:2]1[C:3]([H:11])=[C+:4][C:5](=[C:6]([H:14])[H:15])[N-:7]1)([H:8])([H:9])[H:10].[H:12][H:13],"InChI=1S/C5H8N2/c1-5-3-4-7(2)6-5/h3-4H,1-2H3","InChI=1S/C5H6N2.H2/c1-5-3-4-7(2)6-5;/h4H,1H2,2H3;1H",112.14135,104.06562,
12269,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])=[C:5]([H:11])[C:6]1=[O:7],[O:1]([C:2]1=[C:6]([O-:7])[C:5]([H:11])=[C+:4][C:3]1([H:8])[H:9])[H:10],"InChI=1S/C5H4O2/c6-4-2-1-3-5(4)7/h1-2H,3H2","InChI=1S/C5H4O2/c6-4-2-1-3-5(4)7/h2H,3H2,(H-,6,7)",107.53843,68.06444,
12270,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])=[C:5]([H:11])[C:6]1=[O:7],[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4][C:5]([H:10])([H:11])[C:6]1=[O:7],"InChI=1S/C5H4O2/c6-4-2-1-3-5(4)7/h1-2H,3H2",InChI=1S/C5H4O2/c6-4-2-1-3-5(4)7/h2-3H2,80.16948000000001,77.75525999999999,Singlet_Carbene_Intra_Disproportionation
12271,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])=[C:5]([H:11])[C:6]1=[O:7],[O:1]=[C:2](/[C:3](=[C:4](\[C:5](=[C:6]=[O:7])[H:11])[H:10])[H:9])[H:8],"InChI=1S/C5H4O2/c6-4-2-1-3-5(4)7/h1-2H,3H2",InChI=1S/C5H4O2/c6-4-2-1-3-5-7/h1-4H/b2-1-,60.72435,11.78233,
12272,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])=[C:5]([H:11])[C:6]1=[O:7],[O:1]=[C:2]([C:3]([C:4](=[O:7])[H:10])([H:8])[H:9])[C:6]#[C:5][H:11],"InChI=1S/C5H4O2/c6-4-2-1-3-5(4)7/h1-2H,3H2","InChI=1S/C5H4O2/c1-2-5(7)3-4-6/h1,4H,3H2",127.29853,37.65206,
12273,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])=[C:5]([H:11])[C:6]1=[O:7],[O:1]([C:2]1=[C:3]([H:8])[C:4]([H:10])=[C:5]([H:11])[C:6]1=[O:7])[H:9],"InChI=1S/C5H4O2/c6-4-2-1-3-5(4)7/h1-2H,3H2","InChI=1S/C5H4O2/c6-4-2-1-3-5(4)7/h1-3H,(H,6,7)",69.55383,9.65735,ketoenol
12274,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])=[C:5]([H:11])[C:6]1=[O:7],[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])=[C:5]=[C:6]1[O:7][H:11],"InChI=1S/C5H4O2/c6-4-2-1-3-5(4)7/h1-2H,3H2","InChI=1S/C5H4O2/c6-4-2-1-3-5(4)7/h1,7H,2H2",75.72179,52.19275,ketoenol
12275,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])=[C:5]([H:11])[C:6]1=[O:7],[O:1]1[C:2](=[C:6]=[O:7])[C:3]([H:8])([H:9])[C:4]([H:10])=[C:5]1[H:11],"InChI=1S/C5H4O2/c6-4-2-1-3-5(4)7/h1-2H,3H2","InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1,3H,2H2",119.91091999999999,31.59202,ketoenol
12276,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])=[C:5]([H:11])[C:6]1=[O:7],[C-:6]#[O+:7].[C:4](#[C:5][H:11])[H:10].[O:1]=[C:2]=[C:3]([H:8])[H:9],"InChI=1S/C5H4O2/c6-4-2-1-3-5(4)7/h1-2H,3H2",InChI=1S/C2H2O.C2H2.CO/c1-2-3;2*1-2/h1H2;1-2H;,85.9031,57.45908000000001,
12277,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])=[C:5]([H:11])[C:6]1=[O:7],[O:1]([C+:2]1[C:3]([H:8])([H:9])[C:4]([H:10])=[C:5]=[C:6]1[O-:7])[H:11],"InChI=1S/C5H4O2/c6-4-2-1-3-5(4)7/h1-2H,3H2","InChI=1S/C5H4O2/c6-4-2-1-3-5(4)7/h1,6H,2H2",117.91223000000001,69.21481999999999,
12278,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])=[C:5]([H:11])[C:6]1=[O:7],[H:10][H:11].[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]#[C:5][C:6]1=[O:7],"InChI=1S/C5H4O2/c6-4-2-1-3-5(4)7/h1-2H,3H2",InChI=1S/C5H2O2.H2/c6-4-2-1-3-5(4)7;/h2H2;1H,111.43332,86.03608,
12279,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])=[C:5]([H:11])[C:6]1=[O:7],[C:3]1([H:8])([H:9])[C:4]([H:10])=[C:5]([H:11])[C:6]1=[O:7].[O+:1]#[C-:2],"InChI=1S/C5H4O2/c6-4-2-1-3-5(4)7/h1-2H,3H2","InChI=1S/C4H4O.CO/c5-4-2-1-3-4;1-2/h1-2H,3H2;",60.88585,23.1701,
12280,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])=[C:5]([H:11])[C:6]1=[O:7],[O+:1]#[C:2][C:6](=[C:5]([C:4](=[C:3]([H:8])[H:9])[H:10])[H:11])[O-:7],"InChI=1S/C5H4O2/c6-4-2-1-3-5(4)7/h1-2H,3H2","InChI=1S/C5H4O2/c1-2-3-5(7)4-6/h2-3H,1H2",38.52326,22.529429999999998,
12281,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])=[C:5]([H:11])[C:6]1=[O:7],[O-:1][C:2]1=[C:6]([O:7][H:10])[C:5]([H:11])=[C+:4][C:3]1([H:8])[H:9],"InChI=1S/C5H4O2/c6-4-2-1-3-5(4)7/h1-2H,3H2","InChI=1S/C5H4O2/c6-4-2-1-3-5(4)7/h2H,3H2,(H-,6,7)",127.51912,58.00958000000001,
12282,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])=[C:5]([H:11])[C:6]1=[O:7],[O:1]=[C:2]1/[C:6](=[C:5](\[C:4](=[C:3]([H:8])[H:9])[H:10])[H:11])[O:7]1,"InChI=1S/C5H4O2/c6-4-2-1-3-5(4)7/h1-2H,3H2","InChI=1S/C5H4O2/c1-2-3-4-5(6)7-4/h2-3H,1H2/b4-3+",39.592240000000004,35.89532,
12283,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])=[C:5]([H:11])[C:6]1=[O:7],[C:3](=[C:4]([C:5](=[C:6]=[O:7])[H:11])[H:10])([H:8])[H:9].[O+:1]#[C-:2],"InChI=1S/C5H4O2/c6-4-2-1-3-5(4)7/h1-2H,3H2","InChI=1S/C4H4O.CO/c1-2-3-4-5;1-2/h2-3H,1H2;",29.916809999999998,16.78152,
12284,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])=[C:5]([H:11])[C:6]1=[O:7],[O:1]=[C:2]1[C:3]([H:8])([H:9])[C@@:4]1([C:5](=[C:6]=[O:7])[H:11])[H:10],"InChI=1S/C5H4O2/c6-4-2-1-3-5(4)7/h1-2H,3H2","InChI=1S/C5H4O2/c6-2-1-4-3-5(4)7/h1,4H,3H2/t4-/m0/s1",70.16055,36.70442,
12285,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])=[C:5]([H:11])[C:6]1=[O:7],[O-:1][O+:7]=[C:6]1[C:2](=[C:3]([H:8])[H:9])[C:4]([H:10])=[C:5]1[H:11],"InChI=1S/C5H4O2/c6-4-2-1-3-5(4)7/h1-2H,3H2","InChI=1S/C5H4O2/c1-4-2-3-5(4)7-6/h2-3H,1H2",174.13478,123.01841,
12286,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])=[C:5]([H:11])[C:6]1=[O:7],[O:1]=[C:2]([C:3]([H:8])([H:9])[H:10])[C:6]([C:5](=[C:4])[H:11])=[O:7],"InChI=1S/C5H4O2/c6-4-2-1-3-5(4)7/h1-2H,3H2","InChI=1S/C5H4O2/c1-3-5(7)4(2)6/h3H,2H3",78.12651,80.46455,
12287,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])=[C:5]([H:11])[C:6]1=[O:7],[O+:1]1=[C-:2][C:3]1([H:8])[H:9].[c:4]1([H:10])[c:5]([H:11])[c:6]1=[O:7],"InChI=1S/C5H4O2/c6-4-2-1-3-5(4)7/h1-2H,3H2",InChI=1S/C3H2O.C2H2O/c4-3-1-2-3;1-2-3-1/h1-2H;1H2,146.18652,124.84138,
12288,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])=[C:5]([H:11])[C:6]1=[O:7],[C:4](#[C:5][H:11])[H:10].[O-:1][C:2](=[C:3]([H:8])[H:9])[C:6]#[O+:7],"InChI=1S/C5H4O2/c6-4-2-1-3-5(4)7/h1-2H,3H2",InChI=1S/C3H2O2.C2H2/c1-3(5)2-4;1-2/h1H2;1-2H,85.78402,70.99665999999999,
12289,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])=[C:5]([H:11])[C:6]1=[O:7],[O:1]=[C:2]([C:4](=[C:3]([H:8])[H:9])[H:10])[C:6](=[C+:5][H:11])[O-:7],"InChI=1S/C5H4O2/c6-4-2-1-3-5(4)7/h1-2H,3H2","InChI=1S/C5H4O2/c1-3-5(7)4(2)6/h2-3H,1H2",90.7966,87.81769,
12290,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])=[C:5]([H:11])[C:6]1=[O:7],[H:9][H:10].[O:1]=[C:2]1[C:3]([H:8])=[C:4]=[C:5]([H:11])[C:6]1=[O:7],"InChI=1S/C5H4O2/c6-4-2-1-3-5(4)7/h1-2H,3H2",InChI=1S/C5H2O2.H2/c6-4-2-1-3-5(4)7;/h2-3H;1H,96.62187,76.3072,
12291,[C:1]1([H:8])([H:9])[C@:2]2([H:10])[O:3][C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6][C@:7]12[H:15],[C:1]([C:2](=[O:3])[H:10])([C:7](=[O:6])[H:15])([H:8])[H:9].[C:4](=[C:5]([H:13])[H:14])([H:11])[H:12],"InChI=1S/C5H8O2/c1-2-7-5-3-4(5)6-1/h4-5H,1-3H2/t4-,5+","InChI=1S/C3H4O2.C2H4/c4-2-1-3-5;1-2/h2-3H,1H2;1-2H2",34.67978,-7.92115,
12292,[C:1]1([H:8])([H:9])[C@:2]2([H:10])[O:3][C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6][C@:7]12[H:15],[C:1]1([H:9])=[C:2]([H:10])[C:7]1([O:6][C:5]([C:4](=[O:3])[H:12])([H:13])[H:14])[H:15].[H:8][H:11],"InChI=1S/C5H8O2/c1-2-7-5-3-4(5)6-1/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H6O2.H2/c6-3-4-7-5-1-2-5;/h1-3,5H,4H2;1H",75.81501,44.28632,
12293,[C:1]1([H:8])([H:9])[C@:2]2([H:10])[O:3][C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6][C@:7]12[H:15],[C:1]1([H:8])([H:9])[C:2]([H:10])=[C:7]1[H:15].[C:5](=[O:6])([H:13])[H:14].[O:3]=[C:4]([H:11])[H:12],"InChI=1S/C5H8O2/c1-2-7-5-3-4(5)6-1/h4-5H,1-3H2/t4-,5+","InChI=1S/C3H4.2CH2O/c1-2-3-1;2*1-2/h1-2H,3H2;2*1H2",79.45478,54.73913,
12294,[C:1]1([H:8])([H:9])[C@:2]2([H:10])[O:3][C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6][C@:7]12[H:15],[C:1]1([H:9])=[C:2]([H:10])[O:3][C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6][C:7]1([H:8])[H:15],"InChI=1S/C5H8O2/c1-2-7-5-3-4(5)6-1/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H8O2/c1-2-6-4-5-7-3-1/h1-2H,3-5H2",66.72951,-13.813189999999999,
12295,[C:1]1([H:8])([H:9])[C@:2]2([H:10])[O:3][C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6][C@:7]12[H:15],[C:1](=[C:7]([C:2]1([H:10])[O:3][C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6]1)[H:15])([H:8])[H:9],"InChI=1S/C5H8O2/c1-2-7-5-3-4(5)6-1/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H8O2/c1-2-5-6-3-4-7-5/h2,5H,1,3-4H2",51.99221,-13.303239999999999,
12296,[C:1]1([H:8])([H:9])[C@:2]2([H:10])[O:3][C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6][C@:7]12[H:15],[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[O:3][C@@:4]([C:5]([H:12])([H:13])[H:14])([H:11])[O:6][C@@:7]12[H:15],"InChI=1S/C5H8O2/c1-2-7-5-3-4(5)6-1/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H8O2/c1-3-6-4-2-5(4)7-3/h3-5H,2H2,1H3/t3-,4+,5-",73.20005,-7.764480000000001,
12297,[C:1]1([H:8])([H:9])[C@:2]2([H:10])[O:3][C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6][C@:7]12[H:15],[C:1]1([H:8])([H:9])[C@:2]2([H:10])[O:3][C:4]([H:11])=[C:5]([H:13])[O:6][C@:7]12[H:15].[H:12][H:14],"InChI=1S/C5H8O2/c1-2-7-5-3-4(5)6-1/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H6O2.H2/c1-2-7-5-3-4(5)6-1;/h1-2,4-5H,3H2;1H/t4-,5+;",89.46088,21.75198,
12298,[C:1]1([H:8])([H:9])[C@:2]2([H:10])[O:3][C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6][C@:7]12[H:15],[C:1]1([H:8])([H:9])[C@:2]([O:3][C:4]([H:11])([H:12])[H:15])([H:10])[C:7]1=[O+:6][C-:5]([H:13])[H:14],"InChI=1S/C5H8O2/c1-2-7-5-3-4(5)6-1/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H8O2/c1-6-4-3-5(4)7-2/h5H,1,3H2,2H3/t5-/m1/s1",126.98421,67.75992,
12299,[C:1]1([H:8])([H:9])[C@:2]2([H:10])[O:3][C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6][C@:7]12[H:15],[C:1]1([H:8])([H:9])[C@@:2]([C:7](=[O:6])[H:15])([H:10])[O:3][C:4]([H:11])([H:12])[C:5]1([H:13])[H:14],"InChI=1S/C5H8O2/c1-2-7-5-3-4(5)6-1/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H8O2/c6-4-5-2-1-3-7-5/h4-5H,1-3H2/t5-/m1/s1",60.96054,-28.14088,
12300,[C:1]1([H:8])([H:9])[C@:2]2([H:10])[O:3][C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6][C@:7]12[H:15],[C:1]([C:2](=[O+:3][C-:4]([H:11])[H:12])[H:10])([C:7](=[O+:6][C-:5]([H:13])[H:14])[H:15])([H:8])[H:9],"InChI=1S/C5H8O2/c1-2-7-5-3-4(5)6-1/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H8O2/c1-6-4-3-5-7-2/h4-5H,1-3H2",86.00698,89.74963000000001,
12301,[C:1]1([H:8])([H:9])[C@:2]2([H:10])[O:3][C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6][C@:7]12[H:15],[C:1]1([H:9])=[C:7]([H:15])[C:2]1([O:3][C:4]([C:5]([O:6][H:8])([H:13])[H:14])([H:11])[H:12])[H:10],"InChI=1S/C5H8O2/c1-2-7-5-3-4(5)6-1/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H8O2/c6-3-4-7-5-1-2-5/h1-2,5-6H,3-4H2",66.67007,23.76407,
12302,[C:1]1([H:8])([H:9])[C@:2]2([H:10])[O:3][C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6][C@:7]12[H:15],[C:1]1([H:8])([H:9])[C-:2]([H:10])[O:3][C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O+:6]=[C:7]1[H:15],"InChI=1S/C5H8O2/c1-2-7-5-3-4(5)6-1/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H8O2/c1-2-6-4-5-7-3-1/h2-3H,1,4-5H2",63.38759,55.34855,
12303,[C:1]1([H:8])([H:9])[C@:2]2([H:10])[O:3][C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6][C@:7]12[H:15],[C:1]1([H:8])([H:9])[C@:2]([O:3][C:4]([H:11])([H:12])[H:14])([H:10])[C@:7]1([O+:6]=[C-:5][H:13])[H:15],"InChI=1S/C5H8O2/c1-2-7-5-3-4(5)6-1/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H8O2/c1-6-4-3-5(4)7-2/h1,4-5H,3H2,2H3/t4-,5+/m0/s1",78.67716,69.40005,
12304,[C:1]1([H:8])([H:9])[C@:2]2([H:10])[O:3][C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6][C@:7]12[H:15],[C:1]([C@@:7]1([H:15])[C:2]([H:10])=[O+:3][C-:4]([H:12])[C:5]([H:13])([H:14])[O:6]1)([H:8])([H:9])[H:11],"InChI=1S/C5H8O2/c1-2-7-5-3-4(5)6-1/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H8O2/c1-5-4-6-2-3-7-5/h2,4-5H,3H2,1H3/t5-/m0/s1",52.339290000000005,28.976340000000004,
12305,[C:1]1([H:8])([H:9])[C@:2]2([H:10])[O:3][C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6][C@:7]12[H:15],[C:1](=[C:2]([C:7]([O:6][C:5]([C:4](=[O:3])[H:11])([H:13])[H:14])([H:12])[H:15])[H:10])([H:8])[H:9],"InChI=1S/C5H8O2/c1-2-7-5-3-4(5)6-1/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H8O2/c1-2-4-7-5-3-6/h2-3H,1,4-5H2",53.99865,-9.50722,
12306,[C:1]1([H:8])([H:9])[C@:2]2([H:10])[O:3][C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6][C@:7]12[H:15],[C:1](=[C:2]([O:3][C:4]([C:5]([O+:6]=[C-:7][H:15])([H:13])[H:14])([H:11])[H:12])[H:10])([H:8])[H:9],"InChI=1S/C5H8O2/c1-2-7-5-3-4(5)6-1/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H8O2/c1-3-7-5-4-6-2/h2-3H,1,4-5H2",48.91993,51.915620000000004,
12307,[C:1]1([H:8])([H:9])[C@:2]2([H:10])[O:3][C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6][C@:7]12[H:15],[C:1]1([H:8])([H:9])[C-:2]=[O+:3][C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6][C:7]1([H:10])[H:15],"InChI=1S/C5H8O2/c1-2-7-5-3-4(5)6-1/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H8O2/c1-2-6-4-5-7-3-1/h1-2,4-5H2",55.387930000000004,34.5616,
12308,[C:1]1([H:8])([H:9])[C@:2]2([H:10])[O:3][C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6][C@:7]12[H:15],[C:1]1([H:8])([H:9])[C@:2]([O:3][H:13])([H:10])[C@:7]1([O:6][C:5](=[C:4]([H:11])[H:12])[H:14])[H:15],"InChI=1S/C5H8O2/c1-2-7-5-3-4(5)6-1/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H8O2/c1-2-7-5-3-4(5)6/h2,4-6H,1,3H2/t4-,5+/m1/s1",68.9058,6.5882,
12309,[C:1]1([H:8])([H:9])[C@:2]2([H:10])[O:3][C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6][C@:7]12[H:15],[C:1]([C:2](=[O+:3][C-:4]([H:11])[H:12])[H:10])([C@@:7]1([H:15])[C:5]([H:13])([H:14])[O:6]1)([H:8])[H:9],"InChI=1S/C5H8O2/c1-2-7-5-3-4(5)6-1/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H8O2/c1-6-3-2-5-4-7-5/h3,5H,1-2,4H2/t5-/m0/s1",85.07735,51.056979999999996,
12310,[C:1]1([H:8])([H:9])[C@:2]2([H:10])[O:3][C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6][C@:7]12[H:15],[C:1]([C@@:7]1([H:15])[C-:2]=[O+:3][C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6]1)([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-2-7-5-3-4(5)6-1/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H8O2/c1-5-4-6-2-3-7-5/h5H,2-3H2,1H3/t5-/m0/s1",51.26024,28.59437,
12311,[C:1]1([H:8])([H:9])[C@:2]2([H:10])[O:3][C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6][C@:7]12[H:15],[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[O:3][C:4]([H:11])([H:12])[C-:5]([H:14])[O+:6]=[C:7]12.[H:13][H:15],"InChI=1S/C5H8O2/c1-2-7-5-3-4(5)6-1/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H6O2.H2/c1-2-7-5-3-4(5)6-1;/h1,5H,2-3H2;1H/t5-;/m1./s1",74.84616,76.21665,
12312,[C:1]1([H:8])([H:9])[C@:2]2([H:10])[O:3][C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6][C@:7]12[H:15],[C:1](=[C:2]([O:3][C:4]([C:5]([C:7](=[O:6])[H:15])([H:13])[H:14])([H:11])[H:12])[H:10])([H:8])[H:9],"InChI=1S/C5H8O2/c1-2-7-5-3-4(5)6-1/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H8O2/c1-2-7-5-3-4-6/h2,4H,1,3,5H2",79.92985999999999,-16.61198,
12313,[C:1]1([H:8])([H:9])[C@:2]2([H:10])[O:3][C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6][C@:7]12[H:15],[C:1]1([H:8])([H:11])[C:2]([H:9])([H:10])[C:7]1([O:6][C:5]([C:4](=[O:3])[H:12])([H:13])[H:14])[H:15],"InChI=1S/C5H8O2/c1-2-7-5-3-4(5)6-1/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H8O2/c6-3-4-7-5-1-2-5/h3,5H,1-2,4H2",102.09316,-4.27602,
12314,[C:1]1([H:8])([H:9])[C@:2]2([H:10])[O:3][C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6][C@:7]12[H:15],[C:1]1([H:8])([H:9])[C@:4]2([H:11])[O:3][C:2]([H:10])([H:12])[C@@:7]1([H:15])[O:6][C:5]2([H:13])[H:14],"InChI=1S/C5H8O2/c1-2-7-5-3-4(5)6-1/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H8O2/c1-4-2-6-5(1)3-7-4/h4-5H,1-3H2/t4-,5-/m0/s1",85.57814,-19.81195,
12315,[C:1]1([H:8])([H:9])[C@:2]2([H:10])[O:3][C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6][C@:7]12[H:15],[C:1]1([H:8])([H:9])[O:6][C@@:7]1([C@@:2]1([H:10])[O:3][C:4]([H:11])([H:12])[C:5]1([H:13])[H:14])[H:15],"InChI=1S/C5H8O2/c1-2-7-5-3-4(5)6-1/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H8O2/c1-2-6-4(1)5-3-7-5/h4-5H,1-3H2/t4-,5-/m0/s1",91.21169,9.04853,
12316,[C:1]1([H:8])([H:9])[C@:2]2([H:10])[O:3][C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6][C@:7]12[H:15],[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[O+:3]=[C-:4][C:5]([H:13])([H:14])[O:6][C@@:7]12[H:15].[H:11][H:12],"InChI=1S/C5H8O2/c1-2-7-5-3-4(5)6-1/h4-5H,1-3H2/t4-,5+","InChI=1S/C5H6O2.H2/c1-2-7-5-3-4(5)6-1;/h4-5H,1,3H2;1H/t4-,5+;/m0./s1",74.85551,71.17385999999999,
12317,[C:1]1([H:8])([H:9])[C@:2]2([H:10])[O:3][C:4]([H:11])([H:12])[C:5]([H:13])([H:14])[O:6][C@:7]12[H:15],[C:1]1([H:8])([H:9])[C@:2]2([H:10])[O:3][C:4]([H:11])([H:12])[O:6][C@:7]12[H:15].[C:5]([H:13])[H:14],"InChI=1S/C5H8O2/c1-2-7-5-3-4(5)6-1/h4-5H,1-3H2/t4-,5+","InChI=1S/C4H6O2.CH2/c1-3-4(1)6-2-5-3;/h3-4H,1-2H2;1H2/t3-,4+;",105.77996999999999,116.04802,
12318,[C:1]([C:2](=[O:3])[C:4]1([O:5][H:11])[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])([H:8])([H:9])[H:10],[C:1](=[C:2]([O:3][H:8])[C:4]1([O:5][H:11])[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])([H:9])[H:10],"InChI=1S/C5H8O2/c1-4(6)5(7)2-3-5/h7H,2-3H2,1H3","InChI=1S/C5H8O2/c1-4(6)5(7)2-3-5/h6-7H,1-3H2",63.079130000000006,14.081520000000001,ketoenol
12319,[C:1]([C:2](=[O:3])[C:4]1([O:5][H:11])[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([C:2](=[O:3])[H:14])([H:8])([H:9])[H:10].[C:4]1([O:5][H:11])=[C:7]([H:15])[C:6]1([H:12])[H:13],"InChI=1S/C5H8O2/c1-4(6)5(7)2-3-5/h7H,2-3H2,1H3","InChI=1S/C3H4O.C2H4O/c4-3-1-2-3;1-2-3/h1,4H,2H2;2H,1H3",89.79037,52.16068,
12320,[C:1]([C:2](=[O:3])[C:4]1([O:5][H:11])[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([C-:2]=[O+:3][C:4]1([O:5][H:11])[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-4(6)5(7)2-3-5/h7H,2-3H2,1H3","InChI=1S/C5H8O2/c1-2-7-5(6)3-4-5/h6H,3-4H2,1H3",108.63906999999999,67.48559,
12321,[C:1]([C:2](=[O:3])[C:4]1([O:5][H:11])[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:15].[C:2](#[O+:3])[C@:4]1([O:5][H:11])[C:6]([H:12])([H:13])[C-:7]1[H:14],"InChI=1S/C5H8O2/c1-4(6)5(7)2-3-5/h7H,2-3H2,1H3","InChI=1S/C4H4O2.CH4/c5-3-4(6)1-2-4;/h1,6H,2H2;1H4/t4-;/m1./s1",119.08198999999999,68.42833,
12322,[C:1]([C:2](=[O:3])[C:4]1([O:5][H:11])[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([C:2](=[O:3])[C:4]1=[C:6]([H:12])[C:7]1([H:14])[H:15])([H:8])([H:9])[H:10].[O:5]([H:11])[H:13],"InChI=1S/C5H8O2/c1-4(6)5(7)2-3-5/h7H,2-3H2,1H3","InChI=1S/C5H6O.H2O/c1-4(6)5-2-3-5;/h2H,3H2,1H3;1H2",69.86126999999999,39.5691,
12323,[C:1]([C:2](=[O:3])[C:4]1([O:5][H:11])[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:4]([O:5][H:11])[C:6]([H:12])([H:13])[C:7]([H:14])([H:15])[O:3]1)([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-4(6)5(7)2-3-5/h7H,2-3H2,1H3","InChI=1S/C5H8O2/c1-4-5(6)2-3-7-4/h6H,2-3H2,1H3",42.97084,2.20852,ketoenol
12324,[C:1]([C:2](=[O:3])[C:4]1([O:5][H:11])[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])([H:8])([H:9])[H:10],[C:1](=[C:2]=[O:3])([H:9])[H:10].[C:4]1([O:5][H:11])([H:8])[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15],"InChI=1S/C5H8O2/c1-4(6)5(7)2-3-5/h7H,2-3H2,1H3","InChI=1S/C3H6O.C2H2O/c4-3-1-2-3;1-2-3/h3-4H,1-2H2;1H2",78.05104,30.31788,
12325,[C:1]([C:2](=[O:3])[C:4]1([O:5][H:11])[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([C@:2]1([O:3][H:11])[C:4]2([O:5]1)[C:6]([H:12])([H:13])[C:7]2([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-4(6)5(7)2-3-5/h7H,2-3H2,1H3","InChI=1S/C5H8O2/c1-4(6)5(7-4)2-3-5/h6H,2-3H2,1H3/t4-/m1/s1",47.71089,27.44415,
12326,[C:1]([C:2](=[O:3])[C:4]1([O:5][H:11])[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([C:2](=[O:3])/[C:4]([O:5][H:11])=[C:6](\[C:7]([H:13])([H:14])[H:15])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-4(6)5(7)2-3-5/h7H,2-3H2,1H3","InChI=1S/C5H8O2/c1-3-5(7)4(2)6/h3,7H,1-2H3/b5-3+",67.62501,-13.11196,
12327,[C:1]([C:2](=[O:3])[C:4]1([O:5][H:11])[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([C:2](=[O:3])[C:6]([C:7]([C:4][O:5][H:11])([H:14])[H:15])([H:12])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-4(6)5(7)2-3-5/h7H,2-3H2,1H3","InChI=1S/C5H8O2/c1-5(7)3-2-4-6/h6H,2-3H2,1H3",44.52474,45.55209,
12328,[C:1]([C:2](=[O:3])[C:4]1([O:5][H:11])[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]12[O:3][C:6]([H:12])([H:13])[C@:4]1([O:5][H:11])[C:7]2([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-4(6)5(7)2-3-5/h7H,2-3H2,1H3","InChI=1S/C5H8O2/c1-4-2-5(4,6)3-7-4/h6H,2-3H2,1H3/t4-,5+/m0/s1",80.39545,34.7437,
12329,[C:1]([C@@:2]1([H:11])[N:3]([C:4]([H:12])([H:13])[H:14])[C:5]1([C:6]([H:15])([H:16])[H:17])[C:7]([H:18])([H:19])[H:20])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[N:3]([C:4]([H:12])([H:13])[H:14])[C@:5]1([C:6]([C:7]([H:18])([H:19])[H:20])([H:15])[H:17])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H13N/c1-5-6(2,3)7(5)4/h5H,1-4H3/t5-,7?/m1/s1","InChI=1S/C6H13N/c1-4-6-5(2)7(6)3/h5-6H,4H2,1-3H3/t5-,6+,7?/m1/s1",121.19193,3.986,
12330,[C:1]([C@@:2]1([H:11])[N:3]([C:4]([H:12])([H:13])[H:14])[C:5]1([C:6]([H:15])([H:16])[H:17])[C:7]([H:18])([H:19])[H:20])([H:8])([H:9])[H:10],[C:1]([C@@:2]([N:3]=[C:4]([H:12])[H:14])([C:5]([C:6]([H:13])([H:16])[H:17])([C:7]([H:18])([H:19])[H:20])[H:15])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H13N/c1-5-6(2,3)7(5)4/h5H,1-4H3/t5-,7?/m1/s1","InChI=1S/C6H13N/c1-5(2)6(3)7-4/h5-6H,4H2,1-3H3/t6-/m1/s1",67.54596,-13.859,
12331,[C:1]([C@@:2]1([H:11])[N:3]([C:4]([H:12])([H:13])[H:14])[C:5]1([C:6]([H:15])([H:16])[H:17])[C:7]([H:18])([H:19])[H:20])([H:8])([H:9])[H:10],[C:1]([C:2]([C:7](/[C:5](=[N:3]/[C:4]([H:12])([H:13])[H:14])[C:6]([H:15])([H:16])[H:17])([H:19])[H:20])([H:11])[H:18])([H:8])([H:9])[H:10],"InChI=1S/C6H13N/c1-5-6(2,3)7(5)4/h5H,1-4H3/t5-,7?/m1/s1","InChI=1S/C6H13N/c1-4-5-6(2)7-3/h4-5H2,1-3H3/b7-6+",84.90873,-16.86822,
12332,[C:1]([C@@:2]1([H:11])[N:3]([C:4]([H:12])([H:13])[H:14])[C:5]1([C:6]([H:15])([H:16])[H:17])[C:7]([H:18])([H:19])[H:20])([H:8])([H:9])[H:10],[C:1]([C-:2]1[N+:3]([C:4]([H:12])([H:13])[H:14])([H:11])[C:5]1([C:6]([H:15])([H:16])[H:17])[C:7]([H:18])([H:19])[H:20])([H:8])([H:9])[H:10],"InChI=1S/C6H13N/c1-5-6(2,3)7(5)4/h5H,1-4H3/t5-,7?/m1/s1","InChI=1S/C6H13N/c1-5-6(2,3)7(5)4/h7H,1-4H3",72.28433000000001,51.16192,
12333,[C:1]([C@@:2]1([H:11])[N:3]([C:4]([H:12])([H:13])[H:14])[C:5]1([C:6]([H:15])([H:16])[H:17])[C:7]([H:18])([H:19])[H:20])([H:8])([H:9])[H:10],[C:1]([C:2]1=[N+:3]([C-:4]([H:12])[H:14])[C:5]1([C:6]([H:15])([H:16])[H:17])[C:7]([H:18])([H:19])[H:20])([H:8])([H:9])[H:10].[H:11][H:13],"InChI=1S/C6H13N/c1-5-6(2,3)7(5)4/h5H,1-4H3/t5-,7?/m1/s1","InChI=1S/C6H11N.H2/c1-5-6(2,3)7(5)4;/h4H2,1-3H3;1H",66.66081,59.64464,
12334,[C:1]([C@@:2]1([H:11])[N:3]([C:4]([H:12])([H:13])[H:14])[C:5]1([C:6]([H:15])([H:16])[H:17])[C:7]([H:18])([H:19])[H:20])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[N+:3]([C:4]([H:12])([H:13])[H:14])([C:7]([H:18])([H:19])[H:20])[C-:5]1[C:6]([H:15])([H:16])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C6H13N/c1-5-6(2,3)7(5)4/h5H,1-4H3/t5-,7?/m1/s1","InChI=1S/C6H13N/c1-5-6(2)7(5,3)4/h5H,1-4H3/t5-/m1/s1",94.26643,59.0043,
12335,[C:1]([C@@:2]1([H:11])[N:3]([C:4]([H:12])([H:13])[H:14])[C:5]1([C:6]([H:15])([H:16])[H:17])[C:7]([H:18])([H:19])[H:20])([H:8])([H:9])[H:10],[C:1]([C-:2]([N+:3]([C:4]([H:12])([H:13])[H:14])=[C:5]([C:6]([H:15])([H:16])[H:17])[C:7]([H:18])([H:19])[H:20])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H13N/c1-5-6(2,3)7(5)4/h5H,1-4H3/t5-,7?/m1/s1","InChI=1S/C6H13N/c1-5-7(4)6(2)3/h5H,1-4H3",35.253440000000005,22.55087,
12336,[C:1]([C@@:2]1([H:11])[N:3]([C:4]([H:12])([H:13])[H:14])[C:5]1([C:6]([H:15])([H:16])[H:17])[C:7]([H:18])([H:19])[H:20])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:5]([C:7]([H:18])([H:19])[H:20])[N:3]1[C:4]([H:12])([H:13])[H:14])([H:8])([H:9])[H:10].[C:6]([H:11])([H:15])([H:16])[H:17],"InChI=1S/C6H13N/c1-5-6(2,3)7(5)4/h5H,1-4H3/t5-,7?/m1/s1",InChI=1S/C5H9N.CH4/c1-4-5(2)6(4)3;/h1-3H3;1H4,102.77185,46.98506,
12337,[C:1]([C@@:2]1([H:11])[N:3]([C:4]([H:12])([H:13])[H:14])[C:5]1([C:6]([H:15])([H:16])[H:17])[C:7]([H:18])([H:19])[H:20])([H:8])([H:9])[H:10],[C:1]([N+:3]1([C:4]([H:12])([H:13])[H:14])[C-:2]([H:11])[C:5]1([C:6]([H:15])([H:16])[H:17])[C:7]([H:18])([H:19])[H:20])([H:8])([H:9])[H:10],"InChI=1S/C6H13N/c1-5-6(2,3)7(5)4/h5H,1-4H3/t5-,7?/m1/s1","InChI=1S/C6H13N/c1-6(2)5-7(6,3)4/h5H,1-4H3",98.44059,61.15588,
12338,[C:1]([C@@:2]1([H:11])[N:3]([C:4]([H:12])([H:13])[H:14])[C:5]1([C:6]([H:15])([H:16])[H:17])[C:7]([H:18])([H:19])[H:20])([H:8])([H:9])[H:10],[C:1]([C:2]([N:3]=[C:5]([C:6]([H:15])([H:16])[H:17])[C:7]([H:18])([H:19])[H:20])([C:4]([H:12])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H13N/c1-5-6(2,3)7(5)4/h5H,1-4H3/t5-,7?/m1/s1","InChI=1S/C6H13N/c1-5(2)7-6(3)4/h5H,1-4H3",85.42607,-21.35087,
12339,[C:1]([C@@:2]1([H:11])[N:3]([C:4]([H:12])([H:13])[H:14])[C:5]1([C:6]([H:15])([H:16])[H:17])[C:7]([H:18])([H:19])[H:20])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[N+:3]([C-:4]([H:12])[H:14])=[C:5]1[C:7]([H:18])([H:19])[H:20])([H:8])([H:9])[H:10].[C:6]([H:13])([H:15])([H:16])[H:17],"InChI=1S/C6H13N/c1-5-6(2,3)7(5)4/h5H,1-4H3/t5-,7?/m1/s1","InChI=1S/C5H9N.CH4/c1-4-5(2)6(4)3;/h4H,3H2,1-2H3;1H4/t4-;/m1./s1",77.34146,49.988459999999996,
12340,[C:1]([C@@:2]1([H:11])[N:3]([C:4]([H:12])([H:13])[H:14])[C:5]1([C:6]([H:15])([H:16])[H:17])[C:7]([H:18])([H:19])[H:20])([H:8])([H:9])[H:10],[C:1](=[C:2]([N:3]([C:4]([H:12])([H:13])[H:14])[C:5]([C:6]([H:15])([H:16])[H:17])=[C:7]([H:18])[H:19])[H:11])([H:8])[H:9].[H:10][H:20],"InChI=1S/C6H13N/c1-5-6(2,3)7(5)4/h5H,1-4H3/t5-,7?/m1/s1","InChI=1S/C6H11N.H2/c1-5-7(4)6(2)3;/h5H,1-2H2,3-4H3;1H",56.70545,21.539839999999998,
12341,[C:1]([C@@:2]1([H:11])[N:3]([C:4]([H:12])([H:13])[H:14])[C:5]1([C:6]([H:15])([H:16])[H:17])[C:7]([H:18])([H:19])[H:20])([H:8])([H:9])[H:10],[C:1](/[C:2](=[N:3]/[C:4]([H:12])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10].[C:5]([C:6]([H:15])([H:16])[H:17])(=[C:7]([H:18])[H:19])[H:20],"InChI=1S/C6H13N/c1-5-6(2,3)7(5)4/h5H,1-4H3/t5-,7?/m1/s1","InChI=1S/C3H7N.C3H6/c1-3-4-2;1-3-2/h3H,1-2H3;3H,1H2,2H3/b4-3+;",78.09718000000001,4.33911,
12342,[C:1]([C@@:2]1([H:11])[N:3]([C:4]([H:12])([H:13])[H:14])[C:5]1([C:6]([H:15])([H:16])[H:17])[C:7]([H:18])([H:19])[H:20])([H:8])([H:9])[H:10],[C:1](/[C:2](=[N:3]\[C:5]([C:4]([H:12])([H:13])[H:14])([C:6]([H:15])([H:16])[H:17])[C:7]([H:18])([H:19])[H:20])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H13N/c1-5-6(2,3)7(5)4/h5H,1-4H3/t5-,7?/m1/s1","InChI=1S/C6H13N/c1-5-7-6(2,3)4/h5H,1-4H3/b7-5-",88.13896,-14.57061,
12343,[C:1]([c:2]1[c:3]([H:11])[o:4][c:5](=[O:6])[n:7]1[H:12])([H:8])([H:9])[H:10],[C:1](/[C:2]([C@:3]1([H:11])[O:4][C:5]1=[O:6])=[N:7]\[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H5NO2/c1-3-2-7-4(6)5-3/h2H,1H3,(H,5,6)","InChI=1S/C4H5NO2/c1-2(5)3-4(6)7-3/h3,5H,1H3/b5-2+/t3-/m0/s1",72.6808,38.56991,
12344,[C:1]([c:2]1[c:3]([H:11])[o:4][c:5](=[O:6])[n:7]1[H:12])([H:8])([H:9])[H:10],[C:1](=[C:2]1[C:3]([H:10])([H:11])[O:4][C:5](=[O:6])[N:7]1[H:12])([H:8])[H:9],"InChI=1S/C4H5NO2/c1-3-2-7-4(6)5-3/h2H,1H3,(H,5,6)","InChI=1S/C4H5NO2/c1-3-2-7-4(6)5-3/h1-2H2,(H,5,6)",78.93817,4.02722,
12345,[C:1]([c:2]1[c:3]([H:11])[o:4][c:5](=[O:6])[n:7]1[H:12])([H:8])([H:9])[H:10],[C:1](/[C:2]([C:3]1([H:11])[O+:4]=[C-:5][O:6]1)=[N:7]\[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H5NO2/c1-3-2-7-4(6)5-3/h2H,1H3,(H,5,6)","InChI=1S/C4H5NO2/c1-3(5)4-6-2-7-4/h4-5H,1H3/b5-3+",102.95633000000001,80.49501,
12346,[C:1]([c:2]1[c:3]([H:11])[o:4][c:5](=[O:6])[n:7]1[H:12])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]=[O:4])[H:11])([H:8])([H:9])[H:10].[C:5](=[O:6])=[N:7][H:12],"InChI=1S/C4H5NO2/c1-3-2-7-4(6)5-3/h2H,1H3,(H,5,6)","InChI=1S/C3H4O.CHNO/c1-2-3-4;2-1-3/h2H,1H3;2H",72.58914,20.96012,
12347,[C:1]([c:2]1[c:3]([H:11])[o:4][c:5](=[O:6])[n:7]1[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:3]([H:11])[N:7]1[H:12])([H:8])([H:9])[H:10].[O:4]=[C:5]=[O:6],"InChI=1S/C4H5NO2/c1-3-2-7-4(6)5-3/h2H,1H3,(H,5,6)","InChI=1S/C3H5N.CO2/c1-3-2-4-3;2-1-3/h2,4H,1H3;",75.95664000000001,62.83641,
12348,[C:1]([c:2]1[c:3]([H:11])[o:4][c:5](=[O:6])[n:7]1[H:12])([H:8])([H:9])[H:10],[C:1]([C@:2]([C:3](=[O:4])[H:11])([N:7]=[C:5]=[O:6])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H5NO2/c1-3-2-7-4(6)5-3/h2H,1H3,(H,5,6)","InChI=1S/C4H5NO2/c1-4(2-6)5-3-7/h2,4H,1H3/t4-/m1/s1",60.36537,8.37646,
12349,[C:1]([c:2]1[c:3]([H:11])[o:4][c:5](=[O:6])[n:7]1[H:12])([H:8])([H:9])[H:10],[C:1](=[C:2]([C:3](=[O:4])[H:11])[N:7]=[C:5]=[O:6])([H:8])[H:10].[H:9][H:12],"InChI=1S/C4H5NO2/c1-3-2-7-4(6)5-3/h2H,1H3,(H,5,6)","InChI=1S/C4H3NO2.H2/c1-4(2-6)5-3-7;/h2H,1H2;1H",74.53511,29.24567,
12350,[C:1]([c:2]1[c:3]([H:11])[o:4][c:5](=[O:6])[n:7]1[H:12])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([C:3](=[O:4])[H:11])[C:5](=[O:6])[N:7]1[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H5NO2/c1-3-2-7-4(6)5-3/h2H,1H3,(H,5,6)","InChI=1S/C4H5NO2/c1-4(2-6)3(7)5-4/h2H,1H3,(H,5,7)/t4-/m1/s1",53.914919999999995,42.421240000000004,ketoenol
12351,[C:1]([c:2]1[c:3]([H:11])[o:4][c:5](=[O:6])[n:7]1[H:12])([H:8])([H:9])[H:10],[C-:5]#[O+:6].[C:1](/[C:2]([C:3](=[O:4])[H:11])=[N:7]\[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H5NO2/c1-3-2-7-4(6)5-3/h2H,1H3,(H,5,6)","InChI=1S/C3H5NO.CO/c1-3(4)2-5;1-2/h2,4H,1H3;/b4-3+;",51.07182,31.88962,
12352,[C:1]([c:2]1[c:3]([H:11])[o:4][c:5](=[O:6])[n:7]1[H:12])([H:8])([H:9])[H:10],[C:1](=[C:2]1[C-:3]=[O+:4][C:5](=[O:6])[N:7]1[H:12])([H:8])[H:9].[H:10][H:11],"InChI=1S/C4H5NO2/c1-3-2-7-4(6)5-3/h2H,1H3,(H,5,6)","InChI=1S/C4H3NO2.H2/c1-3-2-7-4(6)5-3;/h1H2,(H,5,6);1H",102.08592,74.50195,
12353,[C:1]([c:2]1[c:3]([H:11])[o:4][c:5](=[O:6])[n:7]1[H:12])([H:8])([H:9])[H:10],[C:1]([c:2]1[c:3]([H:11])[o:4][c:5]([O:6][H:12])[n:7]1)([H:8])([H:9])[H:10],"InChI=1S/C4H5NO2/c1-3-2-7-4(6)5-3/h2H,1H3,(H,5,6)","InChI=1S/C4H5NO2/c1-3-2-7-4(6)5-3/h2H,1H3,(H,5,6)",51.3426,9.107289999999999,ketoenol
12354,[C:1]([c:2]1[c:3]([H:11])[o:4][c:5](=[O:6])[n:7]1[H:12])([H:8])([H:9])[H:10],[C:1]([c:2]1[c-:3][o+:4][c:5]([O:6][H:11])[n:7]1[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H5NO2/c1-3-2-7-4(6)5-3/h2H,1H3,(H,5,6)","InChI=1S/C4H5NO2/c1-3-2-7-4(6)5-3/h5-6H,1H3",142.90678,63.209140000000005,
12355,[C:1]([c:2]1[c:3]([H:11])[o:4][c:5](=[O:6])[n:7]1[H:12])([H:8])([H:9])[H:10],[C:1]([C@:3]1([H:11])[C-:2]=[N+:7]([H:12])[C:5](=[O:6])[O:4]1)([H:8])([H:9])[H:10],"InChI=1S/C4H5NO2/c1-3-2-7-4(6)5-3/h2H,1H3,(H,5,6)","InChI=1S/C4H5NO2/c1-3-2-5-4(6)7-3/h3,5H,1H3/t3-/m1/s1",66.36303000000001,37.91583,
12356,[C:1]([c:2]1[c:3]([H:11])[o:4][c:5](=[O:6])[n:7]1[H:12])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C-:3]=[O+:4][C:5](=[O:6])[N:7]1[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H5NO2/c1-3-2-7-4(6)5-3/h2H,1H3,(H,5,6)","InChI=1S/C4H5NO2/c1-3-2-7-4(6)5-3/h3H,1H3,(H,5,6)/t3-/m0/s1",60.43095,50.78652,Singlet_Carbene_Intra_Disproportionation
12357,[C:1]([c:2]1[c:3]([H:11])[o:4][c:5](=[O:6])[n:7]1[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]#[C:3][H:11])([H:8])([H:9])[H:10].[O:4]=[C:5]1[O:6][N:7]1[H:12],"InChI=1S/C4H5NO2/c1-3-2-7-4(6)5-3/h2H,1H3,(H,5,6)","InChI=1S/C3H4.CHNO2/c1-3-2;3-1-2-4-1/h1H,2H3;(H,2,3)",99.12329,106.65194,
12358,[C:1]([c:2]1[c:3]([H:11])[o:4][c:5](=[O:6])[n:7]1[H:12])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([C:3](=[O:4])[H:11])[O+:6]=[C-:5][N:7]1[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H5NO2/c1-3-2-7-4(6)5-3/h2H,1H3,(H,5,6)","InChI=1S/C4H5NO2/c1-4(2-6)5-3-7-4/h2,5H,1H3/t4-/m0/s1",87.33641,76.96485,
12359,[C:1]([c:2]1[c:3]([H:11])[o:4][c:5](=[O:6])[n:7]1[H:12])([H:8])([H:9])[H:10],[C:1](/[C:2]([C:3](=[O:4])[H:11])=[N:7]/[C:5](=[O:6])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H5NO2/c1-3-2-7-4(6)5-3/h2H,1H3,(H,5,6)","InChI=1S/C4H5NO2/c1-4(2-6)5-3-7/h2-3H,1H3/b5-4-",63.78479,26.49205,
12360,[C:1]([n:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([H:13])[c:6]1[O:7][H:14])([H:8])([H:9])[H:10],[C:1]([N:2]1[C:3]([H:11])=[C:4]([H:12])[C:5]([H:13])([H:14])[C:6]1=[O:7])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-6-4-2-3-5(6)7/h2-4,7H,1H3","InChI=1S/C5H7NO/c1-6-4-2-3-5(6)7/h2,4H,3H2,1H3",51.97725,-7.860939999999999,ketoenol
12361,[C:1]([n:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([H:13])[c:6]1[O:7][H:14])([H:8])([H:9])[H:10],[C:1]([N:2]1[C@:3]2([H:11])[C:4]([H:12])=[C:5]([H:13])[C@:6]12[O:7][H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-6-4-2-3-5(6)7/h2-4,7H,1H3","InChI=1S/C5H7NO/c1-6-4-2-3-5(4,6)7/h2-4,7H,1H3/t4-,5-,6?/m1/s1",89.85683,73.65573,Intra_2+2_cycloaddition_Cd
12362,[C:1]([n:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([H:13])[c:6]1[O:7][H:14])([H:8])([H:9])[H:10],[C:1]([N:2]1[C:3]([H:11])=[C-:4][C:5]([H:12])([H:13])[C+:6]1[O:7][H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-6-4-2-3-5(6)7/h2-4,7H,1H3","InChI=1S/C5H7NO/c1-6-4-2-3-5(6)7/h4,7H,3H2,1H3",76.54386,70.66814000000001,
12363,[C:1]([n:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([H:13])[c:6]1[O:7][H:14])([H:8])([H:9])[H:10],[C-:1]([N+:2]1=[C:6]([O:7][H:14])[C:5]([H:13])=[C:4]([H:12])[C:3]1([H:10])[H:11])([H:8])[H:9],"InChI=1S/C5H7NO/c1-6-4-2-3-5(6)7/h2-4,7H,1H3","InChI=1S/C5H7NO/c1-6-4-2-3-5(6)7/h2-3,7H,1,4H2",79.99531,46.00105,
12364,[C:1]([n:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([H:13])[c:6]1[O:7][H:14])([H:8])([H:9])[H:10],[C:1](/[N:2]=[C:6](/[C:5](=[C:4]=[C:3]([H:11])[H:12])[H:13])[O:7][H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-6-4-2-3-5(6)7/h2-4,7H,1H3","InChI=1S/C5H7NO/c1-3-4-5(7)6-2/h4H,1H2,2H3,(H,6,7)",90.38969,29.7608,
12365,[C:1]([n:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([H:13])[c:6]1[O:7][H:14])([H:8])([H:9])[H:10],[C:1]([N+:2]1([H:11])[C-:3]=[C:4]([H:12])[C:5]([H:13])=[C:6]1[O:7][H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-6-4-2-3-5(6)7/h2-4,7H,1H3","InChI=1S/C5H7NO/c1-6-4-2-3-5(6)7/h2-3,6-7H,1H3",84.0121,77.55539,
12366,[C:1]([n:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([H:13])[c:6]1[O:7][H:14])([H:8])([H:9])[H:10],[C:1]([N:2]1[C+:3]([H:11])[C:4]([H:12])=[C-:5][C@@:6]1([O:7][H:14])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-6-4-2-3-5(6)7/h2-4,7H,1H3","InChI=1S/C5H7NO/c1-6-4-2-3-5(6)7/h2,4-5,7H,1H3/t5-/m0/s1",69.93048,68.04473,Singlet_Carbene_Intra_Disproportionation
12367,[C:1]([n:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([H:13])[c:6]1[O:7][H:14])([H:8])([H:9])[H:10],[C:1]([N+:2]1([H:14])[C:3]([H:11])=[C:4]([H:12])[C:5]([H:13])=[C:6]1[O-:7])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-6-4-2-3-5(6)7/h2-4,7H,1H3","InChI=1S/C5H7NO/c1-6-4-2-3-5(6)7/h2-4,7H,1H3",53.913959999999996,19.35221,
12368,[C:1]([n:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([H:13])[c:6]1[O:7][H:14])([H:8])([H:9])[H:10],[C:1]([N:2]1[C:3]([H:11])=[C:4]([H:12])/[C:6]1=[C:5](/[O:7][H:14])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-6-4-2-3-5(6)7/h2-4,7H,1H3","InChI=1S/C5H7NO/c1-6-3-2-5(6)4-7/h2-4,7H,1H3/b5-4-",154.15422,50.96699,
12369,[C:1]([n:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([H:13])[c:6]1[O:7][H:14])([H:8])([H:9])[H:10],[C-:1]([N+:2]1=[C:3]([H:11])[C:4]([H:12])=[C:5]([H:13])[C@@:6]1([O:7][H:14])[H:10])([H:8])[H:9],"InChI=1S/C5H7NO/c1-6-4-2-3-5(6)7/h2-4,7H,1H3","InChI=1S/C5H7NO/c1-6-4-2-3-5(6)7/h2-5,7H,1H2/t5-/m0/s1",91.90393,41.25987,
12370,[C:1]([n:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([H:13])[c:6]1[O:7][H:14])([H:8])([H:9])[H:10],[C:1]([N:2]1[C:3]([H:11])=[C:4]=[C:5]([H:13])[C@@:6]1([O:7][H:14])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-6-4-2-3-5(6)7/h2-4,7H,1H3","InChI=1S/C5H7NO/c1-6-4-2-3-5(6)7/h3-5,7H,1H3/t5-/m0/s1",92.20855999999999,68.57422,
12371,[C:1]([n:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([H:13])[c:6]1[O:7][H:14])([H:8])([H:9])[H:10],[C:1]([C@@:3]1([H:11])[N:2]=[C:6]([O:7][H:14])[C:5]([H:13])=[C:4]1[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-6-4-2-3-5(6)7/h2-4,7H,1H3","InChI=1S/C5H7NO/c1-4-2-3-5(7)6-4/h2-4H,1H3,(H,6,7)/t4-/m1/s1",55.52256,0.36051,
12372,[C:1]([n:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([H:13])[c:6]1[O:7][H:14])([H:8])([H:9])[H:10],[C:1]([N:2]1[C+:3]([H:11])[C:4]([H:12])([H:13])[C-:5]=[C:6]1[O:7][H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-6-4-2-3-5(6)7/h2-4,7H,1H3","InChI=1S/C5H7NO/c1-6-4-2-3-5(6)7/h4,7H,2H2,1H3",72.61927,71.88826999999999,
12373,[C:1]([n:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([H:13])[c:6]1[O:7][H:14])([H:8])([H:9])[H:10],[C:1]([N:2]1[C:3]([H:11])([H:12])[C-:4]=[C:5]([H:13])[C+:6]1[O:7][H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-6-4-2-3-5(6)7/h2-4,7H,1H3","InChI=1S/C5H7NO/c1-6-4-2-3-5(6)7/h3,7H,4H2,1H3",66.24802,56.87713000000001,Singlet_Carbene_Intra_Disproportionation
12374,[C:1]([n:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([H:13])[c:6]1[O:7][H:14])([H:8])([H:9])[H:10],[C:1]([N:2]=[C:6]=[C:5]([O:7][H:14])[H:13])([H:8])([H:9])[H:10].[C:3](#[C:4][H:12])[H:11],"InChI=1S/C5H7NO/c1-6-4-2-3-5(6)7/h2-4,7H,1H3","InChI=1S/C3H5NO.C2H2/c1-4-2-3-5;1-2/h3,5H,1H3;1-2H",133.52204,84.01515,
12375,[C:1]([n:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([H:13])[c:6]1[O:7][H:14])([H:8])([H:9])[H:10],[C:1](/[N:2]=[C:3](/[C:6]1([O:7][H:14])[C:4]([H:12])=[C:5]1[H:13])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-6-4-2-3-5(6)7/h2-4,7H,1H3","InChI=1S/C5H7NO/c1-6-4-5(7)2-3-5/h2-4,7H,1H3/b6-4+",113.45188,58.94922,
12376,[C:1]([n:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([H:13])[c:6]1[O:7][H:14])([H:8])([H:9])[H:10],[C:1]([C@:6]1([O:7][H:14])[N:2]=[C:3]([H:11])[C:4]([H:12])=[C:5]1[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-6-4-2-3-5(6)7/h2-4,7H,1H3","InChI=1S/C5H7NO/c1-5(7)3-2-4-6-5/h2-4,7H,1H3/t5-/m1/s1",51.99836,10.076,
12377,[C:1]([n:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([H:13])[c:6]1[O:7][H:14])([H:8])([H:9])[H:10],[C-:1]([N+:2]1([H:10])[C:3]([H:11])=[C:4]([H:12])[C:5]([H:13])=[C:6]1[O:7][H:14])([H:8])[H:9],"InChI=1S/C5H7NO/c1-6-4-2-3-5(6)7/h2-4,7H,1H3","InChI=1S/C5H7NO/c1-6-4-2-3-5(6)7/h2-4,6-7H,1H2",93.27744,89.68875,
12378,[C:1]([n:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([H:13])[c:6]1[O:7][H:14])([H:8])([H:9])[H:10],[C:1](=[N+:2]1[C:3]([H:11])=[C:4]([H:12])[C:5]([H:13])=[C:6]1[O-:7])([H:8])[H:9].[H:10][H:14],"InChI=1S/C5H7NO/c1-6-4-2-3-5(6)7/h2-4,7H,1H3","InChI=1S/C5H5NO.H2/c1-6-4-2-3-5(6)7;/h2-4H,1H2;1H",51.466609999999996,37.32528,
12379,[C:1]([n:2]1[c:3]([H:11])[c:4]([H:12])[c:5]([H:13])[c:6]1[O:7][H:14])([H:8])([H:9])[H:10],[C:1]([N:2]1[C:3]([H:11])([H:13])[C:4]([H:12])=[C:5]=[C:6]1[O:7][H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-6-4-2-3-5(6)7/h2-4,7H,1H3","InChI=1S/C5H7NO/c1-6-4-2-3-5(6)7/h2,7H,4H2,1H3",72.66526999999999,46.68594,
12380,[C:1]([C:2]([O:3][C:4]([C:5]([O:6][C:7]([H:17])([H:18])[H:19])([H:15])[H:16])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C-:5](=[O+:6][C:7]([H:17])([H:18])[H:19])[H:15].[C:1]([C:2]([O:3][C:4]([H:13])([H:14])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H12O2/c1-3-7-5-4-6-2/h3-5H2,1-2H3","InChI=1S/C3H8O.C2H4O/c1-3-4-2;1-3-2/h3H2,1-2H3;1H,2H3",69.58901999999999,68.45931,
12381,[C:1]([C:2]([O:3][C:4]([C:5]([O:6][C:7]([H:17])([H:18])[H:19])([H:15])[H:16])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C-:2](=[O+:3][C:4]([C:5]([O:6][C:7]([H:17])([H:18])[H:19])([H:15])[H:16])([H:13])[H:14])[H:12].[C:1]([H:8])([H:9])([H:10])[H:11],"InChI=1S/C5H12O2/c1-3-7-5-4-6-2/h3-5H2,1-2H3","InChI=1S/C4H8O2.CH4/c1-5-3-4-6-2;/h1H,3-4H2,2H3;1H4",73.37623,64.78872,
12382,[C:1]([C:2]([O:3][C:4]([C:5]([O:6][C:7]([H:17])([H:18])[H:19])([H:15])[H:16])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](=[C:2]([H:11])[H:12])([H:9])[H:10].[H:8][H:14].[O:3]=[C:4]([C:5]([O:6][C:7]([H:17])([H:18])[H:19])([H:15])[H:16])[H:13],"InChI=1S/C5H12O2/c1-3-7-5-4-6-2/h3-5H2,1-2H3","InChI=1S/C3H6O2.C2H4.H2/c1-5-3-2-4;1-2;/h2H,3H2,1H3;1-2H2;1H",57.872690000000006,34.35929,
12383,[C:1]([C:2]([O:3][C:4]([C:5]([O:6][C:7]([H:17])([H:18])[H:19])([H:15])[H:16])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C-:2]([O+:3]=[C:4]([C:5]([O:6][C:7]([H:17])([H:18])[H:19])([H:15])[H:16])[H:13])([H:11])[H:12].[C:1]([H:8])([H:9])([H:10])[H:14],"InChI=1S/C5H12O2/c1-3-7-5-4-6-2/h3-5H2,1-2H3","InChI=1S/C4H8O2.CH4/c1-5-3-4-6-2;/h3H,1,4H2,2H3;1H4",79.05142,59.81451,
12384,[C:1]([C:2]([O:3][C:4]([C:5]([O:6][C:7]([H:17])([H:18])[H:19])([H:15])[H:16])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]1([H:9])([H:10])[C:2]([H:11])([H:12])[O:3][C:4]([H:13])([H:14])[C:5]1([H:15])[H:16].[O:6]([C:7]([H:17])([H:18])[H:19])[H:8],"InChI=1S/C5H12O2/c1-3-7-5-4-6-2/h3-5H2,1-2H3","InChI=1S/C4H8O.CH4O/c1-2-4-5-3-1;1-2/h1-4H2;2H,1H3",79.16356999999999,-1.5523,
12385,[C:1]([C:2]([O:3][C:4]([C:5]([O:6][C:7]([H:17])([H:18])[H:19])([H:15])[H:16])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2](=[O+:3][C-:4]([H:13])[H:14])[H:12])([H:8])([H:9])[H:10].[C:5]([O:6][C:7]([H:17])([H:18])[H:19])([H:11])([H:15])[H:16],"InChI=1S/C5H12O2/c1-3-7-5-4-6-2/h3-5H2,1-2H3","InChI=1S/C3H6O.C2H6O/c1-3-4-2;1-3-2/h3H,2H2,1H3;1-2H3",78.40401999999999,64.70597,
12386,[C:1]([C:2]([O:3][C:4]([C:5]([O:6][C:7]([H:17])([H:18])[H:19])([H:15])[H:16])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])[H:10].[C:2]([O:3][C:4]([C:5]([O:6][C:7]([H:17])([H:18])[H:19])([H:15])[H:16])[H:13])([H:11])([H:12])[H:14],"InChI=1S/C5H12O2/c1-3-7-5-4-6-2/h3-5H2,1-2H3","InChI=1S/C4H9O2.CH3/c1-5-3-4-6-2;/h3H,4H2,1-2H3;1H3",115.64997,89.1556,
12387,[C:1]([C:2]([O:3][C:4]([C:5]([O:6][C:7]([H:17])([H:18])[H:19])([H:15])[H:16])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([O:3][C:4]([C:5](=[O+:6][C-:7]([H:18])[H:19])[H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10].[H:16][H:17],"InChI=1S/C5H12O2/c1-3-7-5-4-6-2/h3-5H2,1-2H3","InChI=1S/C5H10O2.H2/c1-3-7-5-4-6-2;/h4H,2-3,5H2,1H3;1H",68.36998,70.86929,
12388,[C:1]([C:2]([O:3][C:4]([C:5]([O:6][C:7]([H:17])([H:18])[H:19])([H:15])[H:16])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](=[C:2]([H:11])[H:12])([H:9])[H:10].[O:3]([C:4]([C:5]([O:6][C:7]([H:17])([H:18])[H:19])([H:15])[H:16])([H:13])[H:14])[H:8],"InChI=1S/C5H12O2/c1-3-7-5-4-6-2/h3-5H2,1-2H3","InChI=1S/C3H8O2.C2H4/c1-5-3-2-4;1-2/h4H,2-3H2,1H3;1-2H2",59.7732,15.46701,"1,3_Insertion_ROR"
12389,[O:1]=[c:2]1[c:3]([H:8])[c:4]([H:9])[n:5]([H:10])[c:6]([H:11])[n:7]1,[O:1]=[C:6]([N:7]=[C:2]=[C:3]([C:4](=[N:5][H:10])[H:9])[H:8])[H:11],"InChI=1S/C4H4N2O/c7-4-1-2-5-3-6-4/h1-3H,(H,5,6,7)","InChI=1S/C4H4N2O/c5-2-1-3-6-4-7/h1-2,4-5H",108.41793,38.13581,
12390,[O:1]=[c:2]1[c:3]([H:8])[c:4]([H:9])[n:5]([H:10])[c:6]([H:11])[n:7]1,[O:1]=[C:2]1[C:3]([H:8])([H:10])[C:4]([H:9])=[N:5][C:6]([H:11])=[N:7]1,"InChI=1S/C4H4N2O/c7-4-1-2-5-3-6-4/h1-3H,(H,5,6,7)","InChI=1S/C4H4N2O/c7-4-1-2-5-3-6-4/h2-3H,1H2",66.57760999999999,17.49501,
12391,[O:1]=[c:2]1[c:3]([H:8])[c:4]([H:9])[n:5]([H:10])[c:6]([H:11])[n:7]1,[O:1]1[C:2]2=[C:3]([H:8])[C@@:4]1([H:9])[N:5]([H:10])[C:6]([H:11])=[N:7]2,"InChI=1S/C4H4N2O/c7-4-1-2-5-3-6-4/h1-3H,(H,5,6,7)","InChI=1S/C4H4N2O/c1-3-5-2-6-4(1)7-3/h1-3H,(H,5,6)/t3-/m0/s1",114.29741999999999,104.82563,
12392,[O:1]=[c:2]1[c:3]([H:8])[c:4]([H:9])[n:5]([H:10])[c:6]([H:11])[n:7]1,[C:3](#[C:4][H:9])[H:8].[O:1]=[C:2]=[N:7][C:6](=[N:5][H:10])[H:11],"InChI=1S/C4H4N2O/c7-4-1-2-5-3-6-4/h1-3H,(H,5,6,7)","InChI=1S/C2H2N2O.C2H2/c3-1-4-2-5;1-2/h1,3H;1-2H",70.1507,54.584830000000004,
12393,[O:1]=[c:2]1[c:3]([H:8])[c:4]([H:9])[n:5]([H:10])[c:6]([H:11])[n:7]1,[O+:1]1=[C:2]([H:8])[N:7]=[C:6]([H:11])[N:5]([H:10])[C:4]([H:9])=[C-:3]1,"InChI=1S/C4H4N2O/c7-4-1-2-5-3-6-4/h1-3H,(H,5,6,7)","InChI=1S/C4H4N2O/c1-2-7-4-6-3-5-1/h1,3-4H,(H,5,6)",102.21049000000001,89.18205999999999,
12394,[O:1]=[c:2]1[c:3]([H:8])[c:4]([H:9])[n:5]([H:10])[c:6]([H:11])[n:7]1,[C:6](#[N:7])[H:11].[O:1]=[C:2]=[C:3](/[C:4](=[N:5]/[H:10])[H:9])[H:8],"InChI=1S/C4H4N2O/c7-4-1-2-5-3-6-4/h1-3H,(H,5,6,7)","InChI=1S/C3H3NO.CHN/c4-2-1-3-5;1-2/h1-2,4H;1H/b4-2+;",50.7709,43.4018,
12395,[O:1]=[c:2]1[c:3]([H:8])[c:4]([H:9])[n:5]([H:10])[c:6]([H:11])[n:7]1,[O:1]([c:2]1[c:3]([H:8])[c:4]([H:9])[n:5][c:6]([H:11])[n:7]1)[H:10],"InChI=1S/C4H4N2O/c7-4-1-2-5-3-6-4/h1-3H,(H,5,6,7)","InChI=1S/C4H4N2O/c7-4-1-2-5-3-6-4/h1-3H,(H,5,6,7)",93.67009,-11.23625,
12396,[O:1]=[c:2]1[c:3]([H:8])[c:4]([H:9])[n:5]([H:10])[c:6]([H:11])[n:7]1,[O:1]=[N:7][c:2]1[c:3]([H:8])[c:4]([H:9])[n:5]([H:10])[c:6]1[H:11],"InChI=1S/C4H4N2O/c7-4-1-2-5-3-6-4/h1-3H,(H,5,6,7)","InChI=1S/C4H4N2O/c7-6-4-1-2-5-3-4/h1-3,5H",152.25492,54.560919999999996,
12397,[O:1]=[c:2]1[c:3]([H:8])[c:4]([H:9])[n:5]([H:10])[c:6]([H:11])[n:7]1,[O:1]=[C:2]=[C:3]([C@@:4]1([H:9])[N:5]([H:10])[C:6]([H:11])=[N:7]1)[H:8],"InChI=1S/C4H4N2O/c7-4-1-2-5-3-6-4/h1-3H,(H,5,6,7)","InChI=1S/C4H4N2O/c7-2-1-4-5-3-6-4/h1,3-4H,(H,5,6)",87.92328,53.81234,
12398,[O:1]=[c:2]1[c:3]([H:8])[c:4]([H:9])[n:5]([H:10])[c:6]([H:11])[n:7]1,[O:1]1[C@@:3]2([H:8])[C-:2]=[N+:7]=[C:6]([H:11])[N:5]([H:10])[C@@:4]12[H:9],"InChI=1S/C4H4N2O/c7-4-1-2-5-3-6-4/h1-3H,(H,5,6,7)","InChI=1S/C4H4N2O/c1-3-4(7-3)6-2-5-1/h2-4,6H/t3-,4-/m0/s1",115.9027,104.74983,
12399,[O:1]=[c:2]1[c:3]([H:8])[c:4]([H:9])[n:5]([H:10])[c:6]([H:11])[n:7]1,[O:1]=[C:2]=[N:7][C@:6]1([H:11])[C:3]([H:8])=[C:4]([H:9])[N:5]1[H:10],"InChI=1S/C4H4N2O/c7-4-1-2-5-3-6-4/h1-3H,(H,5,6,7)","InChI=1S/C4H4N2O/c7-3-6-4-1-2-5-4/h1-2,4-5H/t4-/m1/s1",82.3045,40.14665,
12400,[O:1]=[c:2]1[c:3]([H:8])[c:4]([H:9])[n:5]([H:10])[c:6]([H:11])[n:7]1,[O:1]=[C:3]([C-:4]([N:5]([C+:6]([N+:7]#[C-:2])[H:11])[H:10])[H:9])[H:8],"InChI=1S/C4H4N2O/c7-4-1-2-5-3-6-4/h1-3H,(H,5,6,7)","InChI=1S/C4H4N2O/c1-5-4-6-2-3-7/h2-4,6H",90.96715999999999,74.43887,
12401,[O:1]=[c:2]1[c:3]([H:8])[c:4]([H:9])[n:5]([H:10])[c:6]([H:11])[n:7]1,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C-:4]=[N+:5]([H:10])[C:6]([H:11])=[N:7]1,"InChI=1S/C4H4N2O/c7-4-1-2-5-3-6-4/h1-3H,(H,5,6,7)","InChI=1S/C4H4N2O/c7-4-1-2-5-3-6-4/h3,5H,1H2",67.96184000000001,54.06284,Singlet_Carbene_Intra_Disproportionation
12402,[O:1]=[c:2]1[c:3]([H:8])[c:4]([H:9])[n:5]([H:10])[c:6]([H:11])[n:7]1,[O:1]=[C:2]1[C:3]([H:8])=[C-:4][N+:5]([H:9])([H:10])[C:6]([H:11])=[N:7]1,"InChI=1S/C4H4N2O/c7-4-1-2-5-3-6-4/h1-3H,(H,5,6,7)","InChI=1S/C4H4N2O/c7-4-1-2-5-3-6-4/h1,3H,5H2",97.36423,83.17899,
12403,[O:1]=[c:2]1[c:3]([H:8])[c:4]([H:9])[n:5]([H:10])[c:6]([H:11])[n:7]1,[O:1]=[C:4]([C:3](=[C:2]=[N:7][C:6](=[N:5][H:10])[H:11])[H:8])[H:9],"InChI=1S/C4H4N2O/c7-4-1-2-5-3-6-4/h1-3H,(H,5,6,7)","InChI=1S/C4H4N2O/c5-4-6-2-1-3-7/h1,3-5H",114.29341000000001,40.25537,
12404,[O:1]=[c:2]1[c:3]([H:8])[c:4]([H:9])[n:5]([H:10])[c:6]([H:11])[n:7]1,[O:1]=[C:2]1[C:3]([H:8])=[C:4]([H:9])[C:6]([N:5]([H:10])[H:11])=[N:7]1,"InChI=1S/C4H4N2O/c7-4-1-2-5-3-6-4/h1-3H,(H,5,6,7)","InChI=1S/C4H4N2O/c5-3-1-2-4(7)6-3/h1-2H,(H2,5,6,7)",94.84181,5.76569,
12405,[O:1]=[c:2]1[c:3]([H:8])[c:4]([H:9])[n:5]([H:10])[c:6]([H:11])[n:7]1,[O:1]=[C:2]1[C+:3]([H:8])[C:4]([H:9])=[N:5][C:6]([H:10])([H:11])[N-:7]1,"InChI=1S/C4H4N2O/c7-4-1-2-5-3-6-4/h1-3H,(H,5,6,7)","InChI=1S/C4H4N2O/c7-4-1-2-5-3-6-4/h1-2H,3H2",65.58068,62.408409999999996,
12406,[O:1]=[c:2]1[c:3]([H:8])[c:4]([H:9])[n:5]([H:10])[c:6]([H:11])[n:7]1,[O:1]([C:2]1=[C:3]=[C:4]([H:9])[N:5]([H:10])[C:6]([H:11])=[N:7]1)[H:8],"InChI=1S/C4H4N2O/c7-4-1-2-5-3-6-4/h1-3H,(H,5,6,7)","InChI=1S/C4H4N2O/c7-4-1-2-5-3-6-4/h2-3,7H,(H,5,6)",57.880669999999995,38.65869,ketoenol
12407,[O:1]=[c:2]1[c:3]([H:8])[c:4]([H:9])[n:5]([H:10])[c:6]([H:11])[n:7]1,[O:1]=[c:2]1[c:3]([H:8])[c:4]([H:9])[n+:5]([H:10])[c-:6][n:7]1[H:11],"InChI=1S/C4H4N2O/c7-4-1-2-5-3-6-4/h1-3H,(H,5,6,7)","InChI=1S/C4H4N2O/c7-4-1-2-5-3-6-4/h1-2,5H,(H,6,7)",70.82584,21.75899,
12408,[O:1]=[c:2]1[c:3]([H:8])[c:4]([H:9])[n:5]([H:10])[c:6]([H:11])[n:7]1,[O-:1][C:3](=[C:4]([N:5]([C+:6]([C:2]#[N:7])[H:11])[H:10])[H:9])[H:8],"InChI=1S/C4H4N2O/c7-4-1-2-5-3-6-4/h1-3H,(H,5,6,7)","InChI=1S/C4H4N2O/c5-1-2-6-3-4-7/h2-4,6H",127.69782,44.69825,
12409,[O:1]=[c:2]1[c:3]([H:8])[c:4]([H:9])[n:5]([H:10])[c:6]([H:11])[n:7]1,[O:1]=[C:2]1[C@:3]2([H:8])[C:4]([H:9])([H:10])[N:5]=[C:6]([H:11])[N:7]12,"InChI=1S/C4H4N2O/c7-4-1-2-5-3-6-4/h1-3H,(H,5,6,7)","InChI=1S/C4H4N2O/c7-4-3-1-5-2-6(3)4/h2-3H,1H2/t3-,6?/m0/s1",58.916109999999996,45.99329,
12410,[O:1]=[c:2]1[c:3]([H:8])[c:4]([H:9])[n:5]([H:10])[c:6]([H:11])[n:7]1,[O:1]=[c:2]1[c:3]([H:8])[c:4]([H:9])[n:5][c:6]([H:11])[n:7]1[H:10],"InChI=1S/C4H4N2O/c7-4-1-2-5-3-6-4/h1-3H,(H,5,6,7)","InChI=1S/C4H4N2O/c7-4-1-2-5-3-6-4/h1-3H,(H,5,6,7)",65.57549,-9.9353,
12411,[O:1]=[c:2]1[c:3]([H:8])[c:4]([H:9])[n:5]([H:10])[c:6]([H:11])[n:7]1,[O:1]=[C:2]1[C:3]([H:8])=[C:4]([H:9])[N+:5]2([H:10])[C-:6]([H:11])[N:7]12,"InChI=1S/C4H4N2O/c7-4-1-2-5-3-6-4/h1-3H,(H,5,6,7)","InChI=1S/C4H4N2O/c7-4-1-2-5-3-6(4)5/h1-3,5H",117.26833,118.75831000000001,
12412,[O:1]=[c:2]1[c:3]([H:8])[c:4]([H:9])[n:5]([H:10])[c:6]([H:11])[n:7]1,[O:1]=[C:6]([N:5]([C:4](=[C:3]([C:2]#[N:7])[H:8])[H:9])[H:10])[H:11],"InChI=1S/C4H4N2O/c7-4-1-2-5-3-6-4/h1-3H,(H,5,6,7)","InChI=1S/C4H4N2O/c5-2-1-3-6-4-7/h1,3-4H,(H,6,7)",105.94353999999998,14.64952,
12413,[O:1]=[c:2]1[c:3]([H:8])[c:4]([H:9])[n:5]([H:10])[c:6]([H:11])[n:7]1,[O:1]1[C@:2]23[C@@:3]1([H:8])[C@@:4]2([H:9])[N:5]([H:10])[C:6]([H:11])=[N:7]3,"InChI=1S/C4H4N2O/c7-4-1-2-5-3-6-4/h1-3H,(H,5,6,7)","InChI=1S/C4H4N2O/c1-5-2-3-4(2,6-1)7-3/h1-3H,(H,5,6)/t2-,3-,4+/m1/s1",95.22041999999999,88.12267,
12414,[O:1]=[c:2]1[c:3]([H:8])[c:4]([H:9])[n:5]([H:10])[c:6]([H:11])[n:7]1,[O:1]=[C:4]([N:5](/[C:6](=[N:7]\[C:2]#[C:3][H:8])[H:11])[H:10])[H:9],"InChI=1S/C4H4N2O/c7-4-1-2-5-3-6-4/h1-3H,(H,5,6,7)","InChI=1S/C4H4N2O/c1-2-5-3-6-4-7/h1,3-4H,(H,5,6,7)",129.00341,49.68505,
12415,[O:1]=[c:2]1[c:3]([H:8])[c:4]([H:9])[n:5]([H:10])[c:6]([H:11])[n:7]1,[H:8][H:9].[O:1]=[c:2]1[c:3]#[c:4][n:5]([H:10])[c:6]([H:11])[n:7]1,"InChI=1S/C4H4N2O/c7-4-1-2-5-3-6-4/h1-3H,(H,5,6,7)","InChI=1S/C4H2N2O.H2/c7-4-1-2-5-3-6-4;/h3H,(H,5,6,7);1H",122.54109,86.49865,
12416,[O:1]([C:2]([C:3]#[C:4][C@@:5]1([H:11])[C:6]([H:12])([H:13])[N:7]1[H:14])([H:9])[H:10])[H:8],[O:1]([C:2]([C+:3]=[C:4]=[C:5]([N:7]([C-:6]([H:12])[H:13])[H:14])[H:11])([H:9])[H:10])[H:8],"InChI=1S/C5H7NO/c7-3-1-2-5-4-6-5/h5-7H,3-4H2/t5-/m0/s1","InChI=1S/C5H7NO/c1-6-4-2-3-5-7/h4,6-7H,1,5H2",32.41689,10.33515,
12417,[O:1]([C:2]([C:3]#[C:4][C@@:5]1([H:11])[C:6]([H:12])([H:13])[N:7]1[H:14])([H:9])[H:10])[H:8],[O:1]([C:2]([C:3]1=[C:4]=[C:5]([H:11])[C:6]([H:12])([H:13])[N:7]1[H:14])([H:9])[H:10])[H:8],"InChI=1S/C5H7NO/c7-3-1-2-5-4-6-5/h5-7H,3-4H2/t5-/m0/s1","InChI=1S/C5H7NO/c7-4-5-2-1-3-6-5/h1,6-7H,3-4H2",62.623369999999994,0.35546,
12418,[O:1]([C:2]([C:3]#[C:4][C@@:5]1([H:11])[C:6]([H:12])([H:13])[N:7]1[H:14])([H:9])[H:10])[H:8],[O:1]([C:2]([C:3](=[C:4]=[C:5]1[C:6]([H:12])([H:13])[N:7]1[H:14])[H:11])([H:9])[H:10])[H:8],"InChI=1S/C5H7NO/c7-3-1-2-5-4-6-5/h5-7H,3-4H2/t5-/m0/s1","InChI=1S/C5H7NO/c7-3-1-2-5-4-6-5/h1,6-7H,3-4H2",85.34803000000001,5.021719999999999,
12419,[O:1]([C:2]([C:3]#[C:4][C@@:5]1([H:11])[C:6]([H:12])([H:13])[N:7]1[H:14])([H:9])[H:10])[H:8],[C:2](=[C:3]=[C:4]1[C@@:5]2([H:11])[C@:6]1([H:13])[N:7]2[H:14])([H:9])[H:10].[O:1]([H:8])[H:12],"InChI=1S/C5H7NO/c7-3-1-2-5-4-6-5/h5-7H,3-4H2/t5-/m0/s1","InChI=1S/C5H5N.H2O/c1-2-3-4-5(3)6-4;/h4-6H,1H2;1H2/t4-,5+;",73.31607,35.634640000000005,
12420,[O:1]([C:2]([C:3]#[C:4][C@@:5]1([H:11])[C:6]([H:12])([H:13])[N:7]1[H:14])([H:9])[H:10])[H:8],[O:1]([C:2]([C:3]#[C:4]/[C:5](=[N:7]/[C:6]([H:12])([H:13])[H:14])[H:11])([H:9])[H:10])[H:8],"InChI=1S/C5H7NO/c7-3-1-2-5-4-6-5/h5-7H,3-4H2/t5-/m0/s1","InChI=1S/C5H7NO/c1-6-4-2-3-5-7/h4,7H,5H2,1H3/b6-4+",64.51013,-13.717360000000001,
12421,[O:1]([C:2]([C:3]#[C:4][C@@:5]1([H:11])[C:6]([H:12])([H:13])[N:7]1[H:14])([H:9])[H:10])[H:8],[O:1]([C:2]([C:3]1=[C:4]=[C:5]([H:11])[N:7]([H:14])[C:6]1([H:12])[H:13])([H:9])[H:10])[H:8],"InChI=1S/C5H7NO/c7-3-1-2-5-4-6-5/h5-7H,3-4H2/t5-/m0/s1","InChI=1S/C5H7NO/c7-4-5-1-2-6-3-5/h2,6-7H,3-4H2",65.94885,-2.42048,
12422,[O:1]([C:2]([C:3]#[C:4][C@@:5]1([H:11])[C:6]([H:12])([H:13])[N:7]1[H:14])([H:9])[H:10])[H:8],[O:1]([C:2](=[C:3]=[C:4]([C@@:5]1([H:11])[C:6]([H:12])([H:13])[N:7]1[H:14])[H:10])[H:9])[H:8],"InChI=1S/C5H7NO/c7-3-1-2-5-4-6-5/h5-7H,3-4H2/t5-/m0/s1","InChI=1S/C5H7NO/c7-3-1-2-5-4-6-5/h2-3,5-7H,4H2/t1?,5-/m0/s1",69.71328000000001,-7.945819999999999,
12423,[O:1]([C:2]([C:3]#[C:4][C@@:5]1([H:11])[C:6]([H:12])([H:13])[N:7]1[H:14])([H:9])[H:10])[H:8],[O:1](/[C:2](=[C:3](\[C:4][C@@:5]1([H:11])[C:6]([H:12])([H:13])[N:7]1[H:14])[H:10])[H:9])[H:8],"InChI=1S/C5H7NO/c7-3-1-2-5-4-6-5/h5-7H,3-4H2/t5-/m0/s1","InChI=1S/C5H7NO/c7-3-1-2-5-4-6-5/h1,3,5-7H,4H2/b3-1-/t5-/m0/s1",56.11444,34.4392,
12424,[O:1]([C:2]([C:3]#[C:4][C@@:5]1([H:11])[C:6]([H:12])([H:13])[N:7]1[H:14])([H:9])[H:10])[H:8],[C:2](=[C:3]=[C:4]1[C@@:5]2([H:11])[C:6]([H:12])([H:13])[N:7]12)([H:9])[H:10].[O:1]([H:8])[H:14],"InChI=1S/C5H7NO/c7-3-1-2-5-4-6-5/h5-7H,3-4H2/t5-/m0/s1","InChI=1S/C5H5N.H2O/c1-2-4-5-3-6(4)5;/h5H,1,3H2;1H2/t5-,6?;/m1./s1",52.27792,31.027440000000002,
12425,[O:1]([C:2]([C:3]#[C:4][C@@:5]1([H:11])[C:6]([H:12])([H:13])[N:7]1[H:14])([H:9])[H:10])[H:8],[H:9][H:11].[O:1]([C:2](=[C:3]=[C:4]=[C:5]1[C:6]([H:12])([H:13])[N:7]1[H:14])[H:10])[H:8],"InChI=1S/C5H7NO/c7-3-1-2-5-4-6-5/h5-7H,3-4H2/t5-/m0/s1","InChI=1S/C5H5NO.H2/c7-3-1-2-5-4-6-5;/h3,6-7H,4H2;1H",61.72271,29.614859999999997,
12426,[O:1]([C:2]([C:3]#[C:4][C@@:5]1([H:11])[C:6]([H:12])([H:13])[N:7]1[H:14])([H:9])[H:10])[H:8],[O:1]([C:2]([C:3](=[C-:4][C@@:5]1([H:11])[C+:6]([H:12])[N:7]1[H:14])[H:13])([H:9])[H:10])[H:8],"InChI=1S/C5H7NO/c7-3-1-2-5-4-6-5/h5-7H,3-4H2/t5-/m0/s1","InChI=1S/C5H7NO/c7-3-1-2-5-4-6-5/h1,4-7H,3H2/t5-/m0/s1",107.27328,51.04322,
12427,[O:1]([C:2]([C:3]#[C:4][C@@:5]1([H:11])[C:6]([H:12])([H:13])[N:7]1[H:14])([H:9])[H:10])[H:8],[C:2](=[C:3]=[C-:4][C@@:5]1([H:11])[C+:6]([H:12])[N:7]1[H:14])([H:9])[H:10].[O:1]([H:8])[H:13],"InChI=1S/C5H7NO/c7-3-1-2-5-4-6-5/h5-7H,3-4H2/t5-/m0/s1","InChI=1S/C5H5N.H2O/c1-2-3-5-4-6-5;/h4-6H,1H2;1H2/t5-;/m0./s1",86.05566,57.16574,
12428,[O:1]([C:2]([C:3]#[C:4][C@@:5]1([H:11])[C:6]([H:12])([H:13])[N:7]1[H:14])([H:9])[H:10])[H:8],[O:1]([C:2]([C:3](=[C:4])[C@@:5]1([H:11])[C:6]([H:12])([H:13])[N:7]1[H:14])([H:9])[H:10])[H:8],"InChI=1S/C5H7NO/c7-3-1-2-5-4-6-5/h5-7H,3-4H2/t5-/m0/s1","InChI=1S/C5H7NO/c1-4(3-7)5-2-6-5/h5-7H,2-3H2/t5-/m1/s1",53.62904,50.41296,
12429,[O:1]([C:2]([C:3]#[C:4][C@@:5]1([H:11])[C:6]([H:12])([H:13])[N:7]1[H:14])([H:9])[H:10])[H:8],[O:1]([C:2]([C-:3]=[C:4]([C+:5]1[C:6]([H:12])([H:13])[N:7]1[H:14])[H:11])([H:9])[H:10])[H:8],"InChI=1S/C5H7NO/c7-3-1-2-5-4-6-5/h5-7H,3-4H2/t5-/m0/s1","InChI=1S/C5H7NO/c7-3-1-2-5-4-6-5/h2,6-7H,3-4H2",69.08093000000001,49.74204,
12430,[O:1]([C:2]([C:3]#[C:4][C@@:5]1([H:11])[C:6]([H:12])([H:13])[N:7]1[H:14])([H:9])[H:10])[H:8],[O:1]([C:4](=[C:3]=[C:2]([H:9])[H:10])[C@@:5]1([H:11])[C:6]([H:12])([H:13])[N:7]1[H:14])[H:8],"InChI=1S/C5H7NO/c7-3-1-2-5-4-6-5/h5-7H,3-4H2/t5-/m0/s1","InChI=1S/C5H7NO/c1-2-5(7)4-3-6-4/h4,6-7H,1,3H2/t4-/m1/s1",58.58967,-6.0594,
12431,[O:1]([C:2]([C:3]#[C:4][C@@:5]1([H:11])[C:6]([H:12])([H:13])[N:7]1[H:14])([H:9])[H:10])[H:8],[O:1]([C:2]([C+:3]=[C:4]=[C-:5][N:7]([C:6]([H:11])([H:12])[H:13])[H:14])([H:9])[H:10])[H:8],"InChI=1S/C5H7NO/c7-3-1-2-5-4-6-5/h5-7H,3-4H2/t5-/m0/s1","InChI=1S/C5H7NO/c1-6-4-2-3-5-7/h6-7H,5H2,1H3",65.49802,16.4193,
12432,[O:1]([C:2]([C:3]#[C:4][C@@:5]1([H:11])[C:6]([H:12])([H:13])[N:7]1[H:14])([H:9])[H:10])[H:8],[O:1]([C:2](=[C:3]=[C:4]=[C:5]([C:6]([N:7]([H:10])[H:14])([H:12])[H:13])[H:11])[H:9])[H:8],"InChI=1S/C5H7NO/c7-3-1-2-5-4-6-5/h5-7H,3-4H2/t5-/m0/s1","InChI=1S/C5H7NO/c6-4-2-1-3-5-7/h2,5,7H,4,6H2",62.752269999999996,-13.14396,
12433,[O:1]([C:2]([C:3]#[C:4][C@@:5]1([H:11])[C:6]([H:12])([H:13])[N:7]1[H:14])([H:9])[H:10])[H:8],[O:1]([C:2]([C:3]#[C:4][C:5]([N:7]([C:6][H:12])[H:14])([H:11])[H:13])([H:9])[H:10])[H:8],"InChI=1S/C5H7NO/c7-3-1-2-5-4-6-5/h5-7H,3-4H2/t5-/m0/s1","InChI=1S/C5H7NO/c1-6-4-2-3-5-7/h1,6-7H,4-5H2",76.20964000000001,34.31071,
12434,[O:1]([C:2]([C:3]#[C:4][C@@:5]1([H:11])[C:6]([H:12])([H:13])[N:7]1[H:14])([H:9])[H:10])[H:8],[O:1]([C:2]([C-:3]=[C:4]1[C+:5]([H:11])[C:6]([H:12])([H:13])[N:7]1[H:14])([H:9])[H:10])[H:8],"InChI=1S/C5H7NO/c7-3-1-2-5-4-6-5/h5-7H,3-4H2/t5-/m0/s1","InChI=1S/C5H7NO/c7-4-2-5-1-3-6-5/h1,6-7H,3-4H2",52.815830000000005,46.31384,
12435,[O:1]([C:2]([C:3]#[C:4][C@@:5]1([H:11])[C:6]([H:12])([H:13])[N:7]1[H:14])([H:9])[H:10])[H:8],[O:1]([C:2]([C:3]#[C:4][C@@:5]1([H:11])[C-:6]([H:13])[N+:7]1([H:12])[H:14])([H:9])[H:10])[H:8],"InChI=1S/C5H7NO/c7-3-1-2-5-4-6-5/h5-7H,3-4H2/t5-/m0/s1","InChI=1S/C5H7NO/c7-3-1-2-5-4-6-5/h4-5,7H,3,6H2/t5-/m0/s1",74.05543,55.60281,
12436,[O:1]([C:2]([C:3]#[C:4][C@@:5]1([H:11])[C:6]([H:12])([H:13])[N:7]1[H:14])([H:9])[H:10])[H:8],[C:2](=[C:3]=[C:4]=[C:5]1[C:6]([H:12])([H:13])[N:7]1[H:14])([H:9])[H:10].[O:1]([H:8])[H:11],"InChI=1S/C5H7NO/c7-3-1-2-5-4-6-5/h5-7H,3-4H2/t5-/m0/s1","InChI=1S/C5H5N.H2O/c1-2-3-5-4-6-5;/h6H,1,4H2;1H2",65.06307,15.43745,
12437,[O:1]([C:2]([C:3]#[C:4][C@@:5]1([H:11])[C:6]([H:12])([H:13])[N:7]1[H:14])([H:9])[H:10])[H:8],[H:8][H:11].[O:1]1[C:2]([H:9])([H:10])[C:3]1=[C:4]=[C:5]1[C:6]([H:12])([H:13])[N:7]1[H:14],"InChI=1S/C5H7NO/c7-3-1-2-5-4-6-5/h5-7H,3-4H2/t5-/m0/s1","InChI=1S/C5H5NO.H2/c1(4-2-6-4)5-3-7-5;/h6H,2-3H2;1H",79.40838000000001,49.20026,
12438,[O:1]([C:2]([C:3]#[C:4][C@@:5]1([H:11])[C:6]([H:12])([H:13])[N:7]1[H:14])([H:9])[H:10])[H:8],[H:10][H:14].[O:1]([C:2](=[C:3]=[C:4]1[C@@:5]2([H:11])[C:6]([H:12])([H:13])[N:7]12)[H:9])[H:8],"InChI=1S/C5H7NO/c7-3-1-2-5-4-6-5/h5-7H,3-4H2/t5-/m0/s1","InChI=1S/C5H5NO.H2/c7-2-1-4-5-3-6(4)5;/h2,5,7H,3H2;1H/t1?,5-,6?;/m1./s1",66.45654,43.118320000000004,
12439,[C:1]([C:2]#[C:3][C:4]([C@@:5]1([H:13])[C:6]([H:14])([H:15])[O:7]1)([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]#[C:3]/[C:4](=[C:5](/[C:6]([O:7][H:11])([H:14])[H:15])[H:13])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-2-3-4-6-5-7-6/h6H,4-5H2,1H3/t6-/m0/s1","InChI=1S/C6H8O/c1-2-3-4-5-6-7/h4-5,7H,6H2,1H3/b5-4+",50.073440000000005,-16.61243,
12440,[C:1]([C:2]#[C:3][C:4]([C@@:5]1([H:13])[C:6]([H:14])([H:15])[O:7]1)([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3])[C:4]([C@@:5]1([H:13])[C:6]([H:14])([H:15])[O:7]1)([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-2-3-4-6-5-7-6/h6H,4-5H2,1H3/t6-/m0/s1","InChI=1S/C6H8O/c1-5(2)3-6-4-7-6/h6H,3-4H2,1H3/t6-/m0/s1",56.88231,55.162259999999996,
12441,[C:1]([C:2]#[C:3][C:4]([C@@:5]1([H:13])[C:6]([H:14])([H:15])[O:7]1)([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]#[C:3][C:4]([C:5]([O+:7]=[C-:6][H:14])([H:13])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-2-3-4-6-5-7-6/h6H,4-5H2,1H3/t6-/m0/s1","InChI=1S/C6H8O/c1-3-4-5-6-7-2/h2H,5-6H2,1H3",75.28877,47.25363,
12442,[C:1]([C:2]#[C:3][C:4]([C@@:5]1([H:13])[C:6]([H:14])([H:15])[O:7]1)([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]/[C:3](=[C:4](/[C@@:5]1([H:13])[C:6]([H:14])([H:15])[O:7]1)[H:12])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-2-3-4-6-5-7-6/h6H,4-5H2,1H3/t6-/m0/s1","InChI=1S/C6H8O/c1-2-3-4-6-5-7-6/h3-4,6H,5H2,1H3/b4-3+/t6-/m0/s1",65.04569000000001,54.6986,
12443,[C:1]([C:2]#[C:3][C:4]([C@@:5]1([H:13])[C:6]([H:14])([H:15])[O:7]1)([H:11])[H:12])([H:8])([H:9])[H:10],[C+:1]([C:2](=[C-:3][C:4]([C@@:5]1([H:13])[C:6]([H:14])([H:15])[O:7]1)([H:11])[H:12])[H:9])([H:8])[H:10],"InChI=1S/C6H8O/c1-2-3-4-6-5-7-6/h6H,4-5H2,1H3/t6-/m0/s1","InChI=1S/C6H8O/c1-2-3-4-6-5-7-6/h2,6H,1,4-5H2/t6-/m0/s1",70.59923,60.603640000000006,
12444,[C:1]([C:2]#[C:3][C:4]([C@@:5]1([H:13])[C:6]([H:14])([H:15])[O:7]1)([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C-:3][C:4]([H:11])([H:12])[C:5]([H:13])=[O+:7][C:6]1([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-2-3-4-6-5-7-6/h6H,4-5H2,1H3/t6-/m0/s1","InChI=1S/C6H8O/c1-6-3-2-4-7-5-6/h4H,2,5H2,1H3",84.13564000000001,26.744609999999998,
12445,[C:1]([C:2]#[C:3][C:4]([C@@:5]1([H:13])[C:6]([H:14])([H:15])[O:7]1)([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]=[C:4]([H:11])[H:12])[C:6]([C:5](=[O:7])[H:13])([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-2-3-4-6-5-7-6/h6H,4-5H2,1H3/t6-/m0/s1","InChI=1S/C6H8O/c1-3-6(2)4-5-7/h5H,1,4H2,2H3",44.499970000000005,-24.4637,
12446,[C:1]([C:2]#[C:3][C:4]([C@@:5]1([H:13])[C:6]([H:14])([H:15])[O:7]1)([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C@:2]1([H:13])[C:3][C:4]([H:11])([H:12])[C@:5]12[C:6]([H:14])([H:15])[O:7]2)([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-2-3-4-6-5-7-6/h6H,4-5H2,1H3/t6-/m0/s1","InChI=1S/C6H8O/c1-5-2-3-6(5)4-7-6/h5H,3-4H2,1H3/t5-,6+/m1/s1",83.43823,68.28631,
12447,[C:1]([C:2]#[C:3][C:4]([C@@:5]1([H:13])[C:6]([H:14])([H:15])[O:7]1)([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]#[C:3][C:4]([C:5][C:6]([O:7][H:13])([H:14])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-2-3-4-6-5-7-6/h6H,4-5H2,1H3/t6-/m0/s1","InChI=1S/C6H8O/c1-2-3-4-5-6-7/h7H,4,6H2,1H3",67.35224000000001,65.04496,
12448,[C:1]([C:2]#[C:3][C:4]([C@@:5]1([H:13])[C:6]([H:14])([H:15])[O:7]1)([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](=[C:2]=[C:3]=[C:4]([H:11])[H:12])([H:8])[H:10].[C:5]1([H:9])([H:13])[C:6]([H:14])([H:15])[O:7]1,"InChI=1S/C6H8O/c1-2-3-4-6-5-7-6/h6H,4-5H2,1H3/t6-/m0/s1",InChI=1S/C4H4.C2H4O/c1-3-4-2;1-2-3-1/h1-2H2;1-2H2,84.7216,28.60393,
12449,[C:1]([C:2]#[C:3][C:4]([C@@:5]1([H:13])[C:6]([H:14])([H:15])[O:7]1)([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C-:2]=[C:3]([C:4]([C@@:5]1([H:13])[C:6]([H:15])=[O+:7]1)([H:11])[H:12])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-2-3-4-6-5-7-6/h6H,4-5H2,1H3/t6-/m0/s1","InChI=1S/C6H8O/c1-2-3-4-6-5-7-6/h3,5-6H,4H2,1H3/t6-/m0/s1",100.88747,65.44611,
12450,[C:1]([C:2]#[C:3][C:4]([C@@:5]1([H:13])[C:6]([H:14])([H:15])[O:7]1)([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](=[C:2]=[C:3]=[C:4]([H:11])[H:12])([H:8])[H:10].[C:5]([C:6]([H:9])([H:14])[H:15])(=[O:7])[H:13],"InChI=1S/C6H8O/c1-2-3-4-6-5-7-6/h6H,4-5H2,1H3/t6-/m0/s1","InChI=1S/C4H4.C2H4O/c1-3-4-2;1-2-3/h1-2H2;2H,1H3",67.08543,1.08313,
12451,[C:1]([C:2]#[C:3][C:4]([C@@:5]1([H:13])[C:6]([H:14])([H:15])[O:7]1)([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C-:2]=[C:3]([C+:4]([H:11])[H:12])[C@@:5]1([H:13])[C:6]([H:14])([H:15])[O:7]1)([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-2-3-4-6-5-7-6/h6H,4-5H2,1H3/t6-/m0/s1","InChI=1S/C6H8O/c1-3-5(2)6-4-7-6/h6H,2,4H2,1H3/t6-/m1/s1",77.44106,56.58962,
12452,[C:1]([C:2]#[C:3][C:4]([C@@:5]1([H:13])[C:6]([H:14])([H:15])[O:7]1)([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2](=[C-:3][C:4]([C@@:5]1([H:13])[C:6]([H:15])=[O+:7]1)([H:11])[H:12])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-2-3-4-6-5-7-6/h6H,4-5H2,1H3/t6-/m0/s1","InChI=1S/C6H8O/c1-2-3-4-6-5-7-6/h2,5-6H,4H2,1H3/t6-/m0/s1",79.30830999999999,80.41089000000001,
12453,[C:1]([C:2]#[C:3][C:4]([C@@:5]1([H:13])[C:6]([H:14])([H:15])[O:7]1)([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:3]2[C:4]([H:11])([H:12])[C@:5]12[H:13])([H:8])([H:9])[H:10].[C:6](=[O:7])([H:14])[H:15],"InChI=1S/C6H8O/c1-2-3-4-6-5-7-6/h6H,4-5H2,1H3/t6-/m0/s1","InChI=1S/C5H6.CH2O/c1-3-4-2-5(3)4;1-2/h4H,2H2,1H3;1H2/t4-;/m1./s1",57.77143,44.74818,
12454,[C:1]([C:2]#[C:3][C:4]([C@@:5]1([H:13])[C:6]([H:14])([H:15])[O:7]1)([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:3]([C:4]([C:5](=[O:7])[H:13])([H:11])[H:12])[C:6]1([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-2-3-4-6-5-7-6/h6H,4-5H2,1H3/t6-/m0/s1","InChI=1S/C6H8O/c1-5-4-6(5)2-3-7/h3H,2,4H2,1H3",46.8634,-7.57825,
12455,[C:1]([C:2]#[C:3][C:4]([C@@:5]1([H:13])[C:6]([H:14])([H:15])[O:7]1)([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](=[C:2]=[C:3]1[C:4]([H:11])([H:12])[C@:5]12[C:6]([H:14])([H:15])[O:7]2)([H:8])[H:10].[H:9][H:13],"InChI=1S/C6H8O/c1-2-3-4-6-5-7-6/h6H,4-5H2,1H3/t6-/m0/s1","InChI=1S/C6H6O.H2/c1-2-5-3-6(5)4-7-6;/h1,3-4H2;1H/t6-;/m0./s1",91.10265,48.10922,
12456,[C:1]([C:2]#[C:3][C:4]([C@@:5]1([H:13])[C:6]([H:14])([H:15])[O:7]1)([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C+:2]=[C:3]1[C:4]([H:11])([H:12])[C:5]([O-:7])([H:13])[C:6]1([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-2-3-4-6-5-7-6/h6H,4-5H2,1H3/t6-/m0/s1","InChI=1S/C6H8O/c1-2-5-3-6(7)4-5/h6H,3-4H2,1H3",51.1255,51.46753,
12457,[C:1]([C:2]#[C:3][C:4]([C@@:5]1([H:13])[C:6]([H:14])([H:15])[O:7]1)([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]#[C:3][C:4]([C@@:5]([C:6][H:14])([O:7][H:15])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-2-3-4-6-5-7-6/h6H,4-5H2,1H3/t6-/m0/s1","InChI=1S/C6H8O/c1-3-4-5-6(2)7/h2,6-7H,5H2,1H3/t6-/m1/s1",68.80254000000001,67.98024000000001,
12458,[C:1]([C:2]#[C:3][C:4]([C@@:5]1([H:13])[C:6]([H:14])([H:15])[O:7]1)([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](=[C:2]=[C:3]([C:4]([C@@:5]1([H:13])[C:6]([H:14])([H:15])[O:7]1)([H:11])[H:12])[H:9])([H:8])[H:10],"InChI=1S/C6H8O/c1-2-3-4-6-5-7-6/h6H,4-5H2,1H3/t6-/m0/s1","InChI=1S/C6H8O/c1-2-3-4-6-5-7-6/h3,6H,1,4-5H2/t6-/m0/s1",74.64775999999999,-0.17188,
12459,[C:1]([C:2]#[C:3][C:4]([C@@:5]1([H:13])[C:6]([H:14])([H:15])[O:7]1)([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]#[C:3][C:4]([C:5](=[O+:7][C-:6]([H:14])[H:15])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-2-3-4-6-5-7-6/h6H,4-5H2,1H3/t6-/m0/s1","InChI=1S/C6H8O/c1-3-4-5-6-7-2/h6H,2,5H2,1H3",52.59276,43.3808,
12460,[N:1](=[C:2](\[O:3][C:4](=[O:5])[H:9])[C:6]#[N:7])\[H:8],[N:1](=[C:2]([O-:3])[C:6]#[N+:7][C:4](=[O:5])[H:9])[H:8],"InChI=1S/C3H2N2O2/c4-1-3(5)7-2-6/h2,5H/b5-3-","InChI=1S/C3H2N2O2/c4-3(7)1-5-2-6/h2H,(H-,4,7)",44.58574,34.2465,
12461,[N:1](=[C:2](\[O:3][C:4](=[O:5])[H:9])[C:6]#[N:7])\[H:8],[N:1]([C+:2]=[C:6]=[N-:7])([O:5][C:4](=[O:3])[H:9])[H:8],"InChI=1S/C3H2N2O2/c4-1-3(5)7-2-6/h2,5H/b5-3-","InChI=1S/C3H2N2O2/c4-1-2-5-7-3-6/h3,5H",54.005919999999996,58.44105,
12462,[N:1](=[C:2](\[O:3][C:4](=[O:5])[H:9])[C:6]#[N:7])\[H:8],[N:1]([C-:2]=[O+:3][C:4](=[O:5])[H:9])([N+:7]#[C-:6])[H:8],"InChI=1S/C3H2N2O2/c4-1-3(5)7-2-6/h2,5H/b5-3-","InChI=1S/C3H2N2O2/c1-4-5-2-7-3-6/h3,5H",105.06383000000001,87.53544000000001,
12463,[N:1](=[C:2](\[O:3][C:4](=[O:5])[H:9])[C:6]#[N:7])\[H:8],[N:1](=[c:2]1\[c:6]([H:9])[n:7]1)\[H:8].[O:3]=[C:4]=[O:5],"InChI=1S/C3H2N2O2/c4-1-3(5)7-2-6/h2,5H/b5-3-","InChI=1S/C2H2N2.CO2/c3-2-1-4-2;2-1-3/h1,3H;/b3-2+;",48.80791,18.27463,
12464,[N:1](=[C:2](\[O:3][C:4](=[O:5])[H:9])[C:6]#[N:7])\[H:8],[C-:4]#[O+:5].[N-:1]([C+:2]([O-:3])[C+:6]=[N:7][H:9])[H:8],"InChI=1S/C3H2N2O2/c4-1-3(5)7-2-6/h2,5H/b5-3-",InChI=1S/C2H2N2O.CO/c3-1-2(4)5;1-2/h3-4H;,39.01102,38.37999,
12465,[N:1](=[C:2](\[O:3][C:4](=[O:5])[H:9])[C:6]#[N:7])\[H:8],[N:1]([C-:2]=[O+:3][C:4](=[O:5])[H:9])([C:6]#[N:7])[H:8],"InChI=1S/C3H2N2O2/c4-1-3(5)7-2-6/h2,5H/b5-3-","InChI=1S/C3H2N2O2/c4-1-5-2-7-3-6/h3,5H",66.8632,37.43185,
12466,[N:1](=[C:2](\[O:3][C:4](=[O:5])[H:9])[C:6]#[N:7])\[H:8],[N:1](=[c:2]1[c:6]([O:5][C:4](=[O:3])[H:9])[n:7]1)[H:8],"InChI=1S/C3H2N2O2/c4-1-3(5)7-2-6/h2,5H/b5-3-","InChI=1S/C3H2N2O2/c4-2-3(5-2)7-1-6/h1,4H",43.64897,34.805690000000006,
12467,[N:1](=[C:2](\[O:3][C:4](=[O:5])[H:9])[C:6]#[N:7])\[H:8],[N:1](=[C:2]=[C:6]([C:4](=[O:3])[H:9])[N:7]=[O:5])[H:8],"InChI=1S/C3H2N2O2/c4-1-3(5)7-2-6/h2,5H/b5-3-","InChI=1S/C3H2N2O2/c4-1-3(2-6)5-7/h2,4H",80.95903,58.51279,
12468,[N:1](=[C:2](\[O:3][C:4](=[O:5])[H:9])[C:6]#[N:7])\[H:8],[N:1](=[C:2](\[O+:3]=[C-:4][O:5][H:9])[C:6]#[N:7])\[H:8],"InChI=1S/C3H2N2O2/c4-1-3(5)7-2-6/h2,5H/b5-3-",InChI=1S/C3H2N2O2/c4-1-3(5)7-2-6/h5-6H/b5-3-,76.45004,43.22403,
12469,[N:1](=[C:2](\[O:3][C:4](=[O:5])[H:9])[C:6]#[N:7])\[H:8],[N:1](=[C:2](/[C:6]#[N:7])[H:9])\[H:8].[O:3]=[C:4]=[O:5],"InChI=1S/C3H2N2O2/c4-1-3(5)7-2-6/h2,5H/b5-3-","InChI=1S/C2H2N2.CO2/c3-1-2-4;2-1-3/h1,3H;/b3-1+;",48.2504,-17.30963,"1,3_Insertion_CO2"
12470,[N:1](=[C:2](\[O:3][C:4](=[O:5])[H:9])[C:6]#[N:7])\[H:8],[N:1](=[N:7]/[C:6]#[C:2][O:3][C:4](=[O:5])[H:9])\[H:8],"InChI=1S/C3H2N2O2/c4-1-3(5)7-2-6/h2,5H/b5-3-",InChI=1S/C3H2N2O2/c4-5-1-2-7-3-6/h3-4H/b5-4+,153.78587,73.11913,
12471,[N:1](=[C:2](\[O:3][C:4](=[O:5])[H:9])[C:6]#[N:7])\[H:8],[N:1]1([H:8])[C:2](=[O:3])[C:6]([O+:5]=[C-:4][H:9])=[N:7]1,"InChI=1S/C3H2N2O2/c4-1-3(5)7-2-6/h2,5H/b5-3-","InChI=1S/C3H2N2O2/c1-7-3-2(6)4-5-3/h1H,(H,4,6)",123.91888999999999,111.36131,
12472,[N:1](=[C:2](\[O:3][C:4](=[O:5])[H:9])[C:6]#[N:7])\[H:8],[N:1](=[C:2]([O:3][C:4](=[O:5])[H:9])[N+:7]#[C-:6])[H:8],"InChI=1S/C3H2N2O2/c4-1-3(5)7-2-6/h2,5H/b5-3-","InChI=1S/C3H2N2O2/c1-5-3(4)7-2-6/h2,4H",51.85238,21.64459,
12473,[N:1](=[C:2](\[O:3][C:4](=[O:5])[H:9])[C:6]#[N:7])\[H:8],[N:1]([C:2]1=[C:6]=[N:7]1)([O:5][C:4](=[O:3])[H:9])[H:8],"InChI=1S/C3H2N2O2/c4-1-3(5)7-2-6/h2,5H/b5-3-","InChI=1S/C3H2N2O2/c6-2-7-5-3-1-4-3/h2,5H",97.18398,92.57982,
12474,[N:1](=[C:2](\[O:3][C:4](=[O:5])[H:9])[C:6]#[N:7])\[H:8],[C-:4]#[O+:5].[N:1]([C:2](=[O:3])[C:6]#[N:7])([H:8])[H:9],"InChI=1S/C3H2N2O2/c4-1-3(5)7-2-6/h2,5H/b5-3-","InChI=1S/C2H2N2O.CO/c3-1-2(4)5;1-2/h(H2,4,5);",38.065129999999996,-13.808620000000001,
12475,[N:1](=[C:2](\[O:3][C:4](=[O:5])[H:9])[C:6]#[N:7])\[H:8],[C:4](=[O:5])([C:6]#[N:7])[H:9].[N:1](=[C:2]=[O:3])[H:8],"InChI=1S/C3H2N2O2/c4-1-3(5)7-2-6/h2,5H/b5-3-",InChI=1S/C2HNO.CHNO/c3-1-2-4;2-1-3/h2H;2H,44.87361,1.56631,
12476,[N:1](=[C:2](\[O:3][C:4](=[O:5])[H:9])[C:6]#[N:7])\[H:8],[N:1](=[C:2]=[C:6]=[N:7][C:4]1([H:9])[O:3][O:5]1)[H:8],"InChI=1S/C3H2N2O2/c4-1-3(5)7-2-6/h2,5H/b5-3-",InChI=1S/C3H2N2O2/c4-1-2-5-3-6-7-3/h3-4H,116.84761,115.69671000000001,
12477,[N:1](=[C:2](\[O:3][C:4](=[O:5])[H:9])[C:6]#[N:7])\[H:8],[N:1](=[C:2](\[C:4]([O:3][H:9])=[O:5])[C:6]#[N:7])\[H:8],"InChI=1S/C3H2N2O2/c4-1-3(5)7-2-6/h2,5H/b5-3-","InChI=1S/C3H2N2O2/c4-1-2(5)3(6)7/h5H,(H,6,7)/b5-2-",90.46188000000001,-11.9225,
12478,[N:1](=[C:2](\[O:3][C:4](=[O:5])[H:9])[C:6]#[N:7])\[H:8],[C-:4]#[O+:5].[C:6](#[N:7])[H:9].[N:1](=[C:2]=[O:3])[H:8],"InChI=1S/C3H2N2O2/c4-1-3(5)7-2-6/h2,5H/b5-3-",InChI=1S/CHNO.CHN.CO/c2-1-3;2*1-2/h2H;1H;,52.29435,-3.21822,
12479,[N:1](=[C:2](\[O:3][C:4](=[O:5])[H:9])[C:6]#[N:7])\[H:8],[N:1](=[C:2]=[C:6]=[N:7][H:9])[H:8].[O:3]=[C:4]=[O:5],"InChI=1S/C3H2N2O2/c4-1-3(5)7-2-6/h2,5H/b5-3-",InChI=1S/C2H2N2.CO2/c3-1-2-4;2-1-3/h3-4H;,44.893,13.453270000000002,Retroene
12480,[N:1](=[C:2](\[O:3][C:4](=[O:5])[H:9])[C:6]#[N:7])\[H:8],[N:1](=[C:2]=[C:6]=[N:7][O:5][C:4](=[O:3])[H:9])[H:8],"InChI=1S/C3H2N2O2/c4-1-3(5)7-2-6/h2,5H/b5-3-",InChI=1S/C3H2N2O2/c4-1-2-5-7-3-6/h3-4H,59.787240000000004,63.21925,
12481,[N:1](=[C:2](\[O:3][C:4](=[O:5])[H:9])[C:6]#[N:7])\[H:8],[N:1]#[C:2][C:6]#[N:7].[O:3]=[C:4]([O:5][H:8])[H:9],"InChI=1S/C3H2N2O2/c4-1-3(5)7-2-6/h2,5H/b5-3-","InChI=1S/C2N2.CH2O2/c3-1-2-4;2-1-3/h;1H,(H,2,3)",17.54544,1.2342600000000001,Retroene
12482,[N:1](=[C:2](\[O:3][C:4](=[O:5])[H:9])[C:6]#[N:7])\[H:8],[C-:4]#[O+:5].[N:1](=[C:2](\[O:3][H:9])[C:6]#[N:7])\[H:8],"InChI=1S/C3H2N2O2/c4-1-3(5)7-2-6/h2,5H/b5-3-","InChI=1S/C2H2N2O.CO/c3-1-2(4)5;1-2/h(H2,4,5);",45.756190000000004,-1.1166200000000002,"1,2_Insertion_CO"
12483,[N:1](=[C:2](\[O:3][C:4](=[O:5])[H:9])[C:6]#[N:7])\[H:8],[N:1](=[C:2])[H:8].[O:3]=[C:4]([O:5][C:6]#[N:7])[H:9],"InChI=1S/C3H2N2O2/c4-1-3(5)7-2-6/h2,5H/b5-3-",InChI=1S/C2HNO2.CHN/c3-1-5-2-4;1-2/h2H;2H,48.75889,44.21291,
12484,[N:1](=[C:2](\[O:3][C:4](=[O:5])[H:9])[C:6]#[N:7])\[H:8],[N:1]1([H:8])[C@@:2]2([C:6]#[N:7])[O:3][C@@:4]2([H:9])[O:5]1,"InChI=1S/C3H2N2O2/c4-1-3(5)7-2-6/h2,5H/b5-3-","InChI=1S/C3H2N2O2/c4-1-3-2(6-3)7-5-3/h2,5H/t2-,3-/m0/s1",102.93890999999999,83.61301999999999,
12485,[C:1]([O:2][C:3]1([H:11])[C:4]([H:12])([H:13])[N:5]([C:6]([H:14])([H:15])[H:16])[C:7]1([H:17])[H:18])([H:8])([H:9])[H:10],[C:1]([O+:2]=[C-:3][C:7]([N:5]([C:4]([H:11])([H:12])[H:13])[C:6]([H:14])([H:15])[H:16])([H:17])[H:18])([H:8])([H:9])[H:10],"InChI=1S/C5H11NO/c1-6-3-5(4-6)7-2/h5H,3-4H2,1-2H3","InChI=1S/C5H11NO/c1-6(2)4-5-7-3/h4H2,1-3H3",58.38054,41.67784,
12486,[C:1]([O:2][C:3]1([H:11])[C:4]([H:12])([H:13])[N:5]([C:6]([H:14])([H:15])[H:16])[C:7]1([H:17])[H:18])([H:8])([H:9])[H:10],[C:1]([O:2][C@@:3]1([H:11])[C-:4]([H:13])[N+:5]([C:6]([H:14])([H:15])[H:16])([H:12])[C:7]1([H:17])[H:18])([H:8])([H:9])[H:10],"InChI=1S/C5H11NO/c1-6-3-5(4-6)7-2/h5H,3-4H2,1-2H3","InChI=1S/C5H11NO/c1-6-3-5(4-6)7-2/h3,5-6H,4H2,1-2H3/t5-/m0/s1",72.7791,53.451190000000004,
12487,[C:1]([O:2][C:3]1([H:11])[C:4]([H:12])([H:13])[N:5]([C:6]([H:14])([H:15])[H:16])[C:7]1([H:17])[H:18])([H:8])([H:9])[H:10],[C:1]([O:2][C:7]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[N:5]1[C:6]([H:14])([H:15])[H:16])([H:17])[H:18])([H:8])([H:9])[H:10],"InChI=1S/C5H11NO/c1-6-3-5(4-6)7-2/h5H,3-4H2,1-2H3","InChI=1S/C5H11NO/c1-6-3-5(6)4-7-2/h5H,3-4H2,1-2H3/t5-,6?/m1/s1",74.62019000000001,6.5532,
12488,[C:1]([O:2][C:3]1([H:11])[C:4]([H:12])([H:13])[N:5]([C:6]([H:14])([H:15])[H:16])[C:7]1([H:17])[H:18])([H:8])([H:9])[H:10],[C-:1]([O+:2]=[C:3]([C:7]([N:5]([C:4]([H:10])([H:12])[H:13])[C:6]([H:14])([H:15])[H:16])([H:17])[H:18])[H:11])([H:8])[H:9],"InChI=1S/C5H11NO/c1-6-3-5(4-6)7-2/h5H,3-4H2,1-2H3","InChI=1S/C5H11NO/c1-6(2)4-5-7-3/h5H,3-4H2,1-2H3",70.44974,41.616859999999996,
12489,[C:1]([O:2][C:3]1([H:11])[C:4]([H:12])([H:13])[N:5]([C:6]([H:14])([H:15])[H:16])[C:7]1([H:17])[H:18])([H:8])([H:9])[H:10],[C-:1]([O+:2]=[C:3]1[C:4]([H:12])([H:13])[N:5]([C:6]([H:14])([H:15])[H:16])[C:7]1([H:17])[H:18])([H:8])[H:9].[H:10][H:11],"InChI=1S/C5H11NO/c1-6-3-5(4-6)7-2/h5H,3-4H2,1-2H3","InChI=1S/C5H9NO.H2/c1-6-3-5(4-6)7-2;/h2-4H2,1H3;1H",68.92055,74.08856999999999,
12490,[C:1]([O:2][C:3]1([H:11])[C:4]([H:12])([H:13])[N:5]([C:6]([H:14])([H:15])[H:16])[C:7]1([H:17])[H:18])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]1([H:11])[C-:4]([H:12])[N+:5]([C:6]([H:14])([H:15])[H:16])=[C:7]1[H:18])([H:8])([H:9])[H:10].[H:13][H:17],"InChI=1S/C5H11NO/c1-6-3-5(4-6)7-2/h5H,3-4H2,1-2H3","InChI=1S/C5H9NO.H2/c1-6-3-5(4-6)7-2;/h3-5H,1-2H3;1H",67.7673,65.14792,
12491,[C:1]([O:2][C:3]1([H:11])[C:4]([H:12])([H:13])[N:5]([C:6]([H:14])([H:15])[H:16])[C:7]1([H:17])[H:18])([H:8])([H:9])[H:10],[C:1]([O:2][C@@:3]1([H:11])[C:4]([H:12])([H:13])[N:5]=[C:7]1[H:17])([H:8])([H:9])[H:10].[C:6]([H:14])([H:15])([H:16])[H:18],"InChI=1S/C5H11NO/c1-6-3-5(4-6)7-2/h5H,3-4H2,1-2H3","InChI=1S/C4H7NO.CH4/c1-6-4-2-5-3-4;/h2,4H,3H2,1H3;1H4/t4-;/m1./s1",94.9071,9.98742,
12492,[C:1]([O:2][C:3]1([H:11])[C:4]([H:12])([H:13])[N:5]([C:6]([H:14])([H:15])[H:16])[C:7]1([H:17])[H:18])([H:8])([H:9])[H:10],[C:1]([O:2][C@@:3]1([C:4]([H:11])([H:12])[H:13])[N:5]([C:6]([H:14])([H:15])[H:16])[C:7]1([H:17])[H:18])([H:8])([H:9])[H:10],"InChI=1S/C5H11NO/c1-6-3-5(4-6)7-2/h5H,3-4H2,1-2H3","InChI=1S/C5H11NO/c1-5(7-3)4-6(5)2/h4H2,1-3H3/t5-,6?/m1/s1",89.20089,-1.96632,
12493,[C:1]([O:2][C:3]1([H:11])[C:4]([H:12])([H:13])[N:5]([C:6]([H:14])([H:15])[H:16])[C:7]1([H:17])[H:18])([H:8])([H:9])[H:10],[C:1]([O:2][C-:3]1[C:4]([H:12])([H:13])[N+:5]([C:6]([H:14])([H:15])[H:16])([H:11])[C:7]1([H:17])[H:18])([H:8])([H:9])[H:10],"InChI=1S/C5H11NO/c1-6-3-5(4-6)7-2/h5H,3-4H2,1-2H3","InChI=1S/C5H10NO/c1-6-3-5(4-6)7-2/h3-4H2,1-2H3/q-1/p+1",74.31793,70.73052,
12494,[C:1]([O:2][C:3]1([H:11])[C:4]([H:12])([H:13])[N:5]([C:6]([H:14])([H:15])[H:16])[C:7]1([H:17])[H:18])([H:8])([H:9])[H:10],[C:1]([O:2][C@@:3]1([H:11])[C:4]([H:12])=[N+:5]([C-:6]([H:15])[H:16])[C:7]1([H:17])[H:18])([H:8])([H:9])[H:10].[H:13][H:14],"InChI=1S/C5H11NO/c1-6-3-5(4-6)7-2/h5H,3-4H2,1-2H3","InChI=1S/C5H9NO.H2/c1-6-3-5(4-6)7-2;/h3,5H,1,4H2,2H3;1H/t5-;/m0./s1",56.7819,49.50535,
12495,[C:1]([O:2][C:3]1([H:11])[C:4]([H:12])([H:13])[N:5]([C:6]([H:14])([H:15])[H:16])[C:7]1([H:17])[H:18])([H:8])([H:9])[H:10],[C:1]([O:2][H:13])([H:8])([H:9])[H:10].[C:3]1([H:11])=[C:4]([H:12])[N:5]([C:6]([H:14])([H:15])[H:16])[C:7]1([H:17])[H:18],"InChI=1S/C5H11NO/c1-6-3-5(4-6)7-2/h5H,3-4H2,1-2H3","InChI=1S/C4H7N.CH4O/c1-5-3-2-4-5;1-2/h2-3H,4H2,1H3;2H,1H3",66.37594,19.05295,"1,3_Insertion_ROR"
12496,[C:1]([O:2][C:3]1([H:11])[C:4]([H:12])([H:13])[N:5]([C:6]([H:14])([H:15])[H:16])[C:7]1([H:17])[H:18])([H:8])([H:9])[H:10],[C:1](=[O+:2][C@@:3]([C:4]([H:10])([H:12])[H:13])([C:7]([N-:5][C:6]([H:14])([H:15])[H:16])([H:17])[H:18])[H:11])([H:8])[H:9],"InChI=1S/C5H11NO/c1-6-3-5(4-6)7-2/h5H,3-4H2,1-2H3","InChI=1S/C5H11NO/c1-5(7-3)4-6-2/h5H,3-4H2,1-2H3/t5-/m0/s1",66.27266,53.87081,
12497,[C:1]([O:2][C:3]1([H:11])[C:4]([H:12])([H:13])[N:5]([C:6]([H:14])([H:15])[H:16])[C:7]1([H:17])[H:18])([H:8])([H:9])[H:10],[C:1]([O:2][C:3](=[C:4]([H:12])[H:13])[C:7]([N:5]([C:6]([H:14])([H:15])[H:16])[H:11])([H:17])[H:18])([H:8])([H:9])[H:10],"InChI=1S/C5H11NO/c1-6-3-5(4-6)7-2/h5H,3-4H2,1-2H3","InChI=1S/C5H11NO/c1-5(7-3)4-6-2/h6H,1,4H2,2-3H3",69.402,-13.42244,
12498,[C:1]([O:2][C:3]1([H:11])[C:4]([H:12])([H:13])[N:5]([C:6]([H:14])([H:15])[H:16])[C:7]1([H:17])[H:18])([H:8])([H:9])[H:10],[C:1]([O:2][C@@:3]([C:4]([N:5]([C+:6]([H:15])[H:16])[H:14])([H:12])[H:13])([C-:7]([H:17])[H:18])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H11NO/c1-6-3-5(4-6)7-2/h5H,3-4H2,1-2H3","InChI=1S/C5H11NO/c1-5(7-3)4-6-2/h5-6H,1-2,4H2,3H3/t5-/m1/s1",79.20435,52.97145,
12499,[C:1]([O:2][C:3]1([H:11])[C:4]([H:12])([H:13])[N:5]([C:6]([H:14])([H:15])[H:16])[C:7]1([H:17])[H:18])([H:8])([H:9])[H:10],[C:1]([O:2][C:3](=[C:7]([H:17])[H:18])[H:11])([H:8])([H:9])[H:10].[C:4](=[N:5][C:6]([H:14])([H:15])[H:16])([H:12])[H:13],"InChI=1S/C5H11NO/c1-6-3-5(4-6)7-2/h5H,3-4H2,1-2H3","InChI=1S/C3H6O.C2H5N/c1-3-4-2;1-3-2/h3H,1H2,2H3;1H2,2H3",76.18776,6.11803,
12500,[C:1]([c:2]1[n:3][o:4][c:5](=[O:6])[o:7]1)([H:8])([H:9])[H:10],[C:1]([C:2]#[N:3])([H:8])([H:9])[H:10].[O:4]1[C:5](=[O:7])[O:6]1,InChI=1S/C3H3NO3/c1-2-4-7-3(5)6-2/h1H3,InChI=1S/C2H3N.CO3/c1-2-3;2-1-3-4-1/h1H3;,61.207919999999994,63.475480000000005,
12501,[C:1]([c:2]1[n:3][o:4][c:5](=[O:6])[o:7]1)([H:8])([H:9])[H:10],[C:1]([N:3]=[C:2]=[O:7])([H:8])([H:9])[H:10].[O:4]=[C:5]=[O:6],InChI=1S/C3H3NO3/c1-2-4-7-3(5)6-2/h1H3,InChI=1S/C2H3NO.CO2/c1-3-2-4;2-1-3/h1H3;,31.76694,-40.81944,
12502,[C:1]([c:2]1[n:3][o:4][c:5](=[O:6])[o:7]1)([H:8])([H:9])[H:10],[C-:5]#[O+:6].[C:1]([C:2]([N:3]=[O:4])=[O:7])([H:8])([H:9])[H:10],InChI=1S/C3H3NO3/c1-2-4-7-3(5)6-2/h1H3,InChI=1S/C2H3NO2.CO/c1-2(4)3-5;1-2/h1H3;,60.87436999999999,51.8606,
12503,[C:1]([c:2]1[n:3][o:4][c:5](=[O:6])[o:7]1)([H:8])([H:9])[H:10],[C:1]([C:2]#[N+:3][O-:4])([H:8])([H:9])[H:10].[C:5](=[O:6])=[O:7],InChI=1S/C3H3NO3/c1-2-4-7-3(5)6-2/h1H3,InChI=1S/C2H3NO.CO2/c1-2-3-4;2-1-3/h1H3;,35.99685,14.932879999999999,
12504,[C:1]([C@@:2]([C:3](=[O:4])[H:12])([C:5](=[O:6])[N:7]([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:5](\[O:6][C:3](=[O:4])[H:12])[N:7]([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-3(2-6)4(5)7/h2-3H,1H3,(H2,5,7)/t3-/m0/s1","InChI=1S/C4H7NO2/c1-2-4(5)7-3-6/h2-3H,5H2,1H3/b4-2-",40.841390000000004,15.5044,ketoenol
12505,[C:1]([C@@:2]([C:3](=[O:4])[H:12])([C:5](=[O:6])[N:7]([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1](=[C:2]([C:5](=[O:6])[N:7]([H:13])[H:14])[H:11])([H:9])[H:10].[C:3](=[O:4])([H:8])[H:12],"InChI=1S/C4H7NO2/c1-3(2-6)4(5)7/h2-3H,1H3,(H2,5,7)/t3-/m0/s1","InChI=1S/C3H5NO.CH2O/c1-2-3(4)5;1-2/h2H,1H2,(H2,4,5);1H2",61.60803000000001,27.272440000000003,
12506,[C:1]([C@@:2]([C:3](=[O:4])[H:12])([C:5](=[O:6])[N:7]([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]([C:3](=[O:4])[H:12])(/[C:5]([O:6][H:14])=[N:7]\[H:13])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-3(2-6)4(5)7/h2-3H,1H3,(H2,5,7)/t3-/m0/s1","InChI=1S/C4H7NO2/c1-3(2-6)4(5)7/h2-3H,1H3,(H2,5,7)/t3-/m0/s1",38.992,8.40289,ketoenol
12507,[C:1]([C@@:2]([C:3](=[O:4])[H:12])([C:5](=[O:6])[N:7]([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([O:6]/[C:5](=[C:2](/[C:3](=[O:4])[H:12])[H:11])[N:7]([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-3(2-6)4(5)7/h2-3H,1H3,(H2,5,7)/t3-/m0/s1","InChI=1S/C4H7NO2/c1-7-4(5)2-3-6/h2-3H,5H2,1H3/b4-2+",70.51539,20.36984,ketoenol
12508,[C:1]([C@@:2]([C:3](=[O:4])[H:12])([C:5](=[O:6])[N:7]([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C-:3]#[O+:4].[C:1](/[C:2](=[C:5](/[O:6][H:12])[N:7]([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-3(2-6)4(5)7/h2-3H,1H3,(H2,5,7)/t3-/m0/s1","InChI=1S/C3H7NO.CO/c1-2-3(4)5;1-2/h2,5H,4H2,1H3;/b3-2+;",37.3961,19.13206,
12509,[C:1]([C@@:2]([C:3](=[O:4])[H:12])([C:5](=[O:6])[N:7]([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C-:3]#[O+:4].[C:1]([C:2](=[C:5]=[O:6])[H:11])([H:8])([H:9])[H:10].[N:7]([H:12])([H:13])[H:14],"InChI=1S/C4H7NO2/c1-3(2-6)4(5)7/h2-3H,1H3,(H2,5,7)/t3-/m0/s1","InChI=1S/C3H4O.CO.H3N/c1-2-3-4;1-2;/h2H,1H3;;1H3",46.28348,32.177859999999995,
12510,[C:1]([C@@:2]([C:3](=[O:4])[H:12])([C:5](=[O:6])[N:7]([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:14].[C@@:2]1([C:3](=[O:4])[H:12])([H:11])/[C:5](=[N:7]/[H:13])[O:6]1,"InChI=1S/C4H7NO2/c1-3(2-6)4(5)7/h2-3H,1H3,(H2,5,7)/t3-/m0/s1","InChI=1S/C3H3NO2.CH4/c4-3-2(1-5)6-3;/h1-2,4H;1H4/b4-3-;/t2-;/m1./s1",85.75646,51.95929,
12511,[C:1]([C@@:2]([C:3](=[O:4])[H:12])([C:5](=[O:6])[N:7]([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:3](\[O:4][H:14])[H:12])[H:11])([H:8])([H:9])[H:10].[C:5](=[O:6])=[N:7][H:13],"InChI=1S/C4H7NO2/c1-3(2-6)4(5)7/h2-3H,1H3,(H2,5,7)/t3-/m0/s1","InChI=1S/C3H6O.CHNO/c1-2-3-4;2-1-3/h2-4H,1H3;2H/b3-2-;",30.12554,14.805489999999999,Retroene
12512,[C:1]([C@@:2]([C:3](=[O:4])[H:12])([C:5](=[O:6])[N:7]([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]([O+:4]=[C-:3][H:12])([C:5](=[O:6])[N:7]([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-3(2-6)4(5)7/h2-3H,1H3,(H2,5,7)/t3-/m0/s1","InChI=1S/C4H7NO2/c1-3(7-2)4(5)6/h2-3H,1H3,(H2,5,6)/t3-/m1/s1",105.2226,66.61084,
12513,[C:1]([C@@:2]([C:3](=[O:4])[H:12])([C:5](=[O:6])[N:7]([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3](=[O:4])[H:12])([H:11])[H:13])([H:8])([H:9])[H:10].[C:5](=[O:6])=[N:7][H:14],"InChI=1S/C4H7NO2/c1-3(2-6)4(5)7/h2-3H,1H3,(H2,5,7)/t3-/m0/s1","InChI=1S/C3H6O.CHNO/c1-2-3-4;2-1-3/h3H,2H2,1H3;2H",67.0501,8.92932,
12514,[C:1]([C@@:2]([C:3](=[O:4])[H:12])([C:5](=[O:6])[N:7]([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([O:4]/[C:3](=[C:2](/[C:5](=[O:6])[N:7]([H:13])[H:14])[H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-3(2-6)4(5)7/h2-3H,1H3,(H2,5,7)/t3-/m0/s1","InChI=1S/C4H7NO2/c1-7-3-2-4(5)6/h2-3H,1H3,(H2,5,6)/b3-2+",72.40384,11.07155,ketoenol
12515,[C:1]([C@@:2]([C:3](=[O:4])[H:12])([C:5](=[O:6])[N:7]([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C@:2]1([H:11])[C@@:3]([O+:6]=[C-:5][N:7]([H:13])[H:14])([H:12])[O:4]1)([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-3(2-6)4(5)7/h2-3H,1H3,(H2,5,7)/t3-/m0/s1","InChI=1S/C4H7NO2/c1-3-4(7-3)6-2-5/h3-4H,5H2,1H3/t3-,4-/m1/s1",90.99101,68.88655,
12516,[C:1]([C@@:2]([C:3](=[O:4])[H:12])([C:5](=[O:6])[N:7]([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C@:2]1([C:3](=[O:4])[H:12])/[C:5](=[N:7]/[H:14])[O:6]1)([H:8])([H:9])[H:10].[H:11][H:13],"InChI=1S/C4H7NO2/c1-3(2-6)4(5)7/h2-3H,1H3,(H2,5,7)/t3-/m0/s1","InChI=1S/C4H5NO2.H2/c1-4(2-6)3(5)7-4;/h2,5H,1H3;1H/b5-3-;/t4-;/m0./s1",81.00573,58.555569999999996,
12517,[C:1]([C@@:2]([C:3](=[O:4])[H:12])([C:5](=[O:6])[N:7]([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]1([H:9])([H:10])[C@:2]([C:3](=[O:4])[H:12])([H:11])[C@:5]1([O:6][H:8])[N:7]([H:13])[H:14],"InChI=1S/C4H7NO2/c1-3(2-6)4(5)7/h2-3H,1H3,(H2,5,7)/t3-/m0/s1","InChI=1S/C4H7NO2/c5-4(7)1-3(4)2-6/h2-3,7H,1,5H2/t3-,4-/m0/s1",77.75398,26.283640000000002,
12518,[C:1]([C@@:2]([C:3](=[O:4])[H:12])([C:5](=[O:6])[N:7]([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:3](/[O:4][H:11])[H:12])[C:5](=[O:6])[N:7]([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-3(2-6)4(5)7/h2-3H,1H3,(H2,5,7)/t3-/m0/s1","InChI=1S/C4H7NO2/c1-3(2-6)4(5)7/h2,6H,1H3,(H2,5,7)/b3-2-",56.608000000000004,-3.9762699999999995,ketoenol
12519,[C:1]([C@@:2]([C:3](=[O:4])[H:12])([C:5](=[O:6])[N:7]([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:14])[O:4][C@@:5]12[O:6][N:7]2[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-3(2-6)4(5)7/h2-3H,1H3,(H2,5,7)/t3-/m0/s1","InChI=1S/C4H7NO2/c1-3-2-6-4(3)5-7-4/h3,5H,2H2,1H3/t3-,4+/m0/s1",119.48572,80.97795,
12520,[C:1]([C@@:2]([C:3](=[O:4])[H:12])([C:5](=[O:6])[N:7]([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1](=[C:2]([C@@:5]([C:3](=[O:4])[H:12])([O:6][H:8])[N:7]([H:13])[H:14])[H:11])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-3(2-6)4(5)7/h2-3H,1H3,(H2,5,7)/t3-/m0/s1","InChI=1S/C4H7NO2/c1-2-4(5,7)3-6/h2-3,7H,1,5H2/t4-/m0/s1",83.95758000000001,28.975790000000003,
12521,[C:1]([C@@:2]([C:3](=[O:4])[H:12])([C:5](=[O:6])[N:7]([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3](=[O:4])[H:12])=[C:5]=[O:6])([H:8])([H:9])[H:10].[N:7]([H:11])([H:13])[H:14],"InChI=1S/C4H7NO2/c1-3(2-6)4(5)7/h2-3H,1H3,(H2,5,7)/t3-/m0/s1","InChI=1S/C4H4O2.H3N/c1-4(2-5)3-6;/h2H,1H3;1H3",55.656659999999995,22.797810000000002,"1,3_NH3_elimination"
12522,[C:1]([C@@:2]([C:3](=[O:4])[H:12])([C:5](=[O:6])[N:7]([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:3](/[O:4][C:5](=[O:6])[N:7]([H:13])[H:14])[H:12])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-3(2-6)4(5)7/h2-3H,1H3,(H2,5,7)/t3-/m0/s1","InChI=1S/C4H7NO2/c1-2-3-7-4(5)6/h2-3H,1H3,(H2,5,6)/b3-2+",51.4229,3.52012,ketoenol
12523,[C:1]([C@@:2]([C:3](=[O:4])[H:12])([C:5](=[O:6])[N:7]([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1](=[C:2]([C:3](=[O:4])[H:12])[H:11])([H:9])[H:10].[C:5](=[O:6])=[N:7][H:13].[H:8][H:14],"InChI=1S/C4H7NO2/c1-3(2-6)4(5)7/h2-3H,1H3,(H2,5,7)/t3-/m0/s1","InChI=1S/C3H4O.CHNO.H2/c1-2-3-4;2-1-3;/h2-3H,1H2;2H;1H",68.43018000000001,39.49197,
12524,[C:1]([C@@:2]([C:3](=[O:4])[H:12])([C:5](=[O:6])[N:7]([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:5]1([N:7]([H:13])[H:14])[C@@:2]([C:3](=[O:4])[H:12])([H:11])[O:6]1)([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-3(2-6)4(5)7/h2-3H,1H3,(H2,5,7)/t3-/m0/s1","InChI=1S/C4H7NO2/c1-4(5)3(2-6)7-4/h2-3H,5H2,1H3/t3-,4-/m0/s1",88.86088000000001,37.79156,
12525,[C:1]([C@@:2]([C:3](=[O:4])[H:12])([C:5](=[O:6])[N:7]([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1](/[C:2]([C:3](=[O:4])[H:12])=[C:5](/[O:6][H:11])[N:7]([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-3(2-6)4(5)7/h2-3H,1H3,(H2,5,7)/t3-/m0/s1","InChI=1S/C4H7NO2/c1-3(2-6)4(5)7/h2,7H,5H2,1H3/b4-3-",45.8633,4.54455,ketoenol
12526,[C:1]([C@@:2]([C:3](=[O:4])[H:12])([C:5](=[O:6])[N:7]([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([N:7]([H:13])[H:14])([H:8])([H:9])[H:10].[C:2]([C:3](=[O:4])[H:12])(=[C:5]=[O:6])[H:11],"InChI=1S/C4H7NO2/c1-3(2-6)4(5)7/h2-3H,1H3,(H2,5,7)/t3-/m0/s1","InChI=1S/C3H2O2.CH5N/c4-2-1-3-5;1-2/h1-2H;2H2,1H3",79.03406,35.06391,
12527,[C:1]([C@@:2]([C:3](=[O:4])[H:12])([C:5](=[O:6])[N:7]([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([C:3](=[O:4])[H:12])[C@@:5]([N:7]([H:13])[H:14])([H:11])[O:6]1)([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-3(2-6)4(5)7/h2-3H,1H3,(H2,5,7)/t3-/m0/s1","InChI=1S/C4H7NO2/c1-4(2-6)3(5)7-4/h2-3H,5H2,1H3/t3-,4-/m1/s1",79.7302,35.25813,
12528,[C:1]([C@@:2]([C:3](=[O:4])[H:12])([C:5](=[O:6])[N:7]([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C-:5]#[O+:6].[C:1](/[C:2](=[C:3](\[O:4][N:7]([H:13])[H:14])[H:12])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-3(2-6)4(5)7/h2-3H,1H3,(H2,5,7)/t3-/m0/s1","InChI=1S/C3H7NO.CO/c1-2-3-5-4;1-2/h2-3H,4H2,1H3;/b3-2-;",96.48557,69.04866,
12529,[C:1]([C@@:2]([C:3](=[O:4])[H:12])([C:5](=[O:6])[N:7]([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C@:3]([O:4][N:7]([H:13])[H:14])([H:12])[C:5]1=[O:6])([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-3(2-6)4(5)7/h2-3H,1H3,(H2,5,7)/t3-/m0/s1","InChI=1S/C4H7NO2/c1-2-3(6)4(2)7-5/h2,4H,5H2,1H3/t2-,4-/m1/s1",114.26835,90.13611,
12530,[C:1]([C@@:2]([C:3](=[O:4])[H:12])([C:5](=[O:6])[N:7]([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C@@:3]([N:7]([H:13])[H:14])([H:12])[O:4][C:5]1=[O:6])([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-3(2-6)4(5)7/h2-3H,1H3,(H2,5,7)/t3-/m0/s1","InChI=1S/C4H7NO2/c1-2-3(5)7-4(2)6/h2-3H,5H2,1H3/t2-,3+/m0/s1",56.30616,6.77354,
12531,[C:1]([C@@:2]([C:3](=[O:4])[H:12])([C:5](=[O:6])[N:7]([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]([C:3](=[O:4])[H:12])([N:7]=[C:5]=[O:6])[H:11])([H:8])([H:9])[H:10].[H:13][H:14],"InChI=1S/C4H7NO2/c1-3(2-6)4(5)7/h2-3H,1H3,(H2,5,7)/t3-/m0/s1","InChI=1S/C4H5NO2.H2/c1-4(2-6)5-3-7;/h2,4H,1H3;1H/t4-;/m0./s1",87.57278000000001,25.49437,
12532,[C:1]([C@@:2]12[C@@:3]3([H:11])[C:4]([H:12])([H:13])[N:5]1[C:6]([H:14])([H:15])[C@@:7]23[H:16])([H:8])([H:9])[H:10],[C:1]([C:2]1=[N:5][C:4]([H:12])([H:13])[C@:3]1([C:7](=[C:6]([H:14])[H:15])[H:16])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-6-4-2-7(6)3-5(4)6/h4-5H,2-3H2,1H3/t4-,5+,6-","InChI=1S/C6H9N/c1-3-6-4-7-5(6)2/h3,6H,1,4H2,2H3/t6-/m1/s1",36.93543,-33.855990000000006,
12533,[C:1]([C@@:2]12[C@@:3]3([H:11])[C:4]([H:12])([H:13])[N:5]1[C:6]([H:14])([H:15])[C@@:7]23[H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:16])[C@@:3]2([H:11])[C:4]([H:12])([H:13])[N:5]1[C:6]([H:14])([H:15])[C:7]2)([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-6-4-2-7(6)3-5(4)6/h4-5H,2-3H2,1H3/t4-,5+,6-","InChI=1S/C6H9N/c1-5-6-2-3-7(5)4-6/h5-6H,3-4H2,1H3/t5-,6+/m0/s1",59.55845,50.79757,
12534,[C:1]([C@@:2]12[C@@:3]3([H:11])[C:4]([H:12])([H:13])[N:5]1[C:6]([H:14])([H:15])[C@@:7]23[H:16])([H:8])([H:9])[H:10],[C:1]([C@:2]12[C-:3]([H:11])[C@@:7]1([H:16])[C:6]([H:14])([H:15])[N+:5]2=[C:4]([H:12])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-6-4-2-7(6)3-5(4)6/h4-5H,2-3H2,1H3/t4-,5+,6-","InChI=1S/C6H9N/c1-6-3-5(6)4-7(6)2/h3,5H,2,4H2,1H3/t5-,6-/m0/s1",49.87985,43.044990000000006,
12535,[C:1]([C@@:2]12[C@@:3]3([H:11])[C:4]([H:12])([H:13])[N:5]1[C:6]([H:14])([H:15])[C@@:7]23[H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]12[C:3]([H:11])([H:16])[C:4]([H:12])([H:13])[N:5]1[C:6]([H:14])([H:15])[C:7]2)([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-6-4-2-7(6)3-5(4)6/h4-5H,2-3H2,1H3/t4-,5+,6-","InChI=1S/C6H9N/c1-6-2-4-7(6)5-3-6/h2,4-5H2,1H3/t6-/m0/s1",56.31475,57.04165,
12536,[C:1]([C@@:2]12[C@@:3]3([H:11])[C:4]([H:12])([H:13])[N:5]1[C:6]([H:14])([H:15])[C@@:7]23[H:16])([H:8])([H:9])[H:10],[C:1](=[C:2]1[N:5]2[C:4]([H:12])([H:13])[C:3][C@@:7]1([H:16])[C:6]2([H:14])[H:15])([H:8])[H:10].[H:9][H:11],"InChI=1S/C6H9N/c1-6-4-2-7(6)3-5(4)6/h4-5H,2-3H2,1H3/t4-,5+,6-","InChI=1S/C6H7N.H2/c1-5-6-2-3-7(5)4-6;/h6H,1,3-4H2;1H/t6-;/m0./s1",99.48799,81.44268000000001,
12537,[C:1]([C@@:2]12[C@@:3]3([H:11])[C:4]([H:12])([H:13])[N:5]1[C:6]([H:14])([H:15])[C@@:7]23[H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]12[C@@:3]([C:7][H:16])([H:11])[C:4]([H:12])([H:13])[N:5]1[C:6]2([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-6-4-2-7(6)3-5(4)6/h4-5H,2-3H2,1H3/t4-,5+,6-","InChI=1S/C6H9N/c1-5-3-7-4-6(5,7)2/h1,5H,3-4H2,2H3/t5-,6-,7?/m1/s1",66.47691,63.24061,
12538,[C:1]([C@@:2]12[C@@:3]3([H:11])[C:4]([H:12])([H:13])[N:5]1[C:6]([H:14])([H:15])[C@@:7]23[H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]12[C@@:3]3([H:11])[C:4]([H:12])([H:13])[N+:5]1([H:14])[C-:6]([H:15])[C@@:7]23[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-6-4-2-7(6)3-5(4)6/h4-5H,2-3H2,1H3/t4-,5+,6-","InChI=1S/C6H9N/c1-6-4-2-7(6)3-5(4)6/h2,4-5,7H,3H2,1H3/t4-,5+,6-/m1/s1",68.8297,53.43311,
12539,[C:1]([O:2][C:3]([C@@:4]([C:5]([H:14])([H:15])[H:16])([C:6]([O:7][H:19])([H:17])[H:18])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][H:19])([H:8])([H:9])[H:10].[C:3](=[C:4]([C:5]([H:14])([H:15])[H:16])[H:13])([H:11])[H:12].[C:6](=[O:7])([H:17])[H:18],"InChI=1S/C5H12O2/c1-5(3-6)4-7-2/h5-6H,3-4H2,1-2H3/t5-/m0/s1","InChI=1S/C3H6.CH4O.CH2O/c1-3-2;2*1-2/h3H,1H2,2H3;2H,1H3;1H2",48.14855,32.71229,
12540,[C:1]([O:2][C:3]([C@@:4]([C:5]([H:14])([H:15])[H:16])([C:6]([O:7][H:19])([H:17])[H:18])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][H:19])([H:8])([H:9])[H:10].[C:3]([C@@:4]1([H:13])[C:6]([H:17])([H:18])[O:7]1)([C:5]([H:14])([H:15])[H:16])([H:11])[H:12],"InChI=1S/C5H12O2/c1-5(3-6)4-7-2/h5-6H,3-4H2,1-2H3/t5-/m0/s1","InChI=1S/C4H8O.CH4O/c1-2-4-3-5-4;1-2/h4H,2-3H2,1H3;2H,1H3/t4-;/m0./s1",77.51871,27.0664,
12541,[C:1]([O:2][C:3]([C@@:4]([C:5]([H:14])([H:15])[H:16])([C:6]([O:7][H:19])([H:17])[H:18])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]([C:4](=[C:5]([H:14])[H:15])[C:6]([O:7][H:19])([H:17])[H:18])([H:11])[H:12])([H:8])([H:9])[H:10].[H:13][H:16],"InChI=1S/C5H12O2/c1-5(3-6)4-7-2/h5-6H,3-4H2,1-2H3/t5-/m0/s1","InChI=1S/C5H10O2.H2/c1-5(3-6)4-7-2;/h6H,1,3-4H2,2H3;1H",106.93286,31.60124,
12542,[C:1]([O:2][C:3]([C@@:4]([C:5]([H:14])([H:15])[H:16])([C:6]([O:7][H:19])([H:17])[H:18])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O+:2]=[C-:3][H:12])([H:8])([H:9])[H:10].[C:4]([C:5]([H:14])([H:15])[H:16])([C:6]([O:7][H:19])([H:17])[H:18])([H:11])[H:13],"InChI=1S/C5H12O2/c1-5(3-6)4-7-2/h5-6H,3-4H2,1-2H3/t5-/m0/s1","InChI=1S/C3H8O.C2H4O/c1-2-3-4;1-3-2/h4H,2-3H2,1H3;1H,2H3",72.80341999999999,72.11935,
12543,[C:1]([O:2][C:3]([C@@:4]([C:5]([H:14])([H:15])[H:16])([C:6]([O:7][H:19])([H:17])[H:18])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2]/[C:3](=[C:4](\[C:5]([H:14])([H:15])[H:16])[H:13])[H:12])([H:8])([H:9])[H:10].[C:6](=[O:7])([H:17])[H:18].[H:11][H:19],"InChI=1S/C5H12O2/c1-5(3-6)4-7-2/h5-6H,3-4H2,1-2H3/t5-/m0/s1","InChI=1S/C4H8O.CH2O.H2/c1-3-4-5-2;1-2;/h3-4H,1-2H3;1H2;1H/b4-3-;;",61.20411,45.19011,
12544,[C:1]([O:2][C:3]([C@@:4]([C:5]([H:14])([H:15])[H:16])([C:6]([O:7][H:19])([H:17])[H:18])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]([C:4]([C:5]([H:14])([H:15])[H:16])([H:13])[H:17])([H:11])[H:12])([H:8])([H:9])[H:10].[C:6]([O:7][H:19])[H:18],"InChI=1S/C5H12O2/c1-5(3-6)4-7-2/h5-6H,3-4H2,1-2H3/t5-/m0/s1","InChI=1S/C4H10O.CH2O/c1-3-4-5-2;1-2/h3-4H2,1-2H3;1-2H",75.45156,79.25349,
12545,[C:1]([O:2][C:3]([C@@:4]([C:5]([H:14])([H:15])[H:16])([C:6]([O:7][H:19])([H:17])[H:18])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]([C:4]([C:5]([H:14])([H:15])[H:16])=[C:6]([H:17])[H:18])([H:11])[H:12])([H:8])([H:9])[H:10].[O:7]([H:13])[H:19],"InChI=1S/C5H12O2/c1-5(3-6)4-7-2/h5-6H,3-4H2,1-2H3/t5-/m0/s1","InChI=1S/C5H10O.H2O/c1-5(2)4-6-3;/h1,4H2,2-3H3;1H2",62.68979,12.64817,"1,3_Insertion_ROR"
12546,[C:1]([O:2][C:3]([C@@:4]([C:5]([H:14])([H:15])[H:16])([C:6]([O:7][H:19])([H:17])[H:18])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C-:1]([O+:2]=[C:3]([C@@:4]([C:5]([H:14])([H:15])[H:16])([C:6]([O:7][H:19])([H:17])[H:18])[H:13])[H:12])([H:8])[H:10].[H:9][H:11],"InChI=1S/C5H12O2/c1-5(3-6)4-7-2/h5-6H,3-4H2,1-2H3/t5-/m0/s1","InChI=1S/C5H10O2.H2/c1-5(3-6)4-7-2;/h4-6H,2-3H2,1H3;1H/t5-;/m0./s1",68.77353000000001,74.15616999999999,
12547,[C:1]([O:2][C:3]([C@@:4]([C:5]([H:14])([H:15])[H:16])([C:6]([O:7][H:19])([H:17])[H:18])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]([C@@:4]([C:5]([H:14])([H:15])[H:16])([O:7][H:19])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10].[C:6]([H:17])[H:18],"InChI=1S/C5H12O2/c1-5(3-6)4-7-2/h5-6H,3-4H2,1-2H3/t5-/m0/s1","InChI=1S/C4H10O2.CH2/c1-4(5)3-6-2;/h4-5H,3H2,1-2H3;1H2/t4-;/m1./s1",112.80447,116.79772,
12548,[C:1]([O:2][C:3]([C@@:4]([C:5]([H:14])([H:15])[H:16])([C:6]([O:7][H:19])([H:17])[H:18])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2]/[C:3](=[C:4](/[C:6]([O:7][H:19])([H:17])[H:18])[H:13])[H:12])([H:8])([H:9])[H:10].[C:5]([H:11])([H:14])([H:15])[H:16],"InChI=1S/C5H12O2/c1-5(3-6)4-7-2/h5-6H,3-4H2,1-2H3/t5-/m0/s1","InChI=1S/C4H8O2.CH4/c1-6-4-2-3-5;/h2,4-5H,3H2,1H3;1H4/b4-2+;",106.8535,16.253420000000002,
12549,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C:4](=[O:5])[C:6]#[C:7][H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C:7](=[C:6]=[C:4]=[O:5])[H:15])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-4-6(7)5(2)3/h1,5H,2-3H3","InChI=1S/C6H8O/c1-6(2)4-3-5-7/h4,6H,1-2H3",84.64218000000001,-7.14363,
12550,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C:4](=[O:5])[C:6]#[C:7][H:15])[H:11])([H:8])([H:9])[H:10],[C:1](=[C:2]([C:3]([H:12])([H:13])[H:14])[H:11])([H:8])[H:10].[C:4](=[O:5])=[C:6]=[C:7]([H:9])[H:15],"InChI=1S/C6H8O/c1-4-6(7)5(2)3/h1,5H,2-3H3","InChI=1S/C3H2O.C3H6/c1-2-3-4;1-3-2/h1H2;3H,1H2,2H3",37.225429999999996,19.88235,Retroene
12551,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C:4](=[O:5])[C:6]#[C:7][H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C:4]#[C:6][C:7](=[O:5])[H:15])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-4-6(7)5(2)3/h1,5H,2-3H3","InChI=1S/C6H8O/c1-6(2)4-3-5-7/h5-6H,1-2H3",70.0195,0.36580999999999997,
12552,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C:4](=[O:5])[C:6]#[C:7][H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])=[C:4]([O:5][H:11])[C:6]#[C:7][H:15])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-4-6(7)5(2)3/h1,5H,2-3H3","InChI=1S/C6H8O/c1-4-6(7)5(2)3/h1,7H,2-3H3",62.882490000000004,4.14695,ketoenol
12553,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C:4](=[O:5])[C:6]#[C:7][H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([O:5]/[C:4](=[C:2](/[C:3]([H:12])([H:13])[H:14])[H:11])[C:6]#[C:7][H:15])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-4-6(7)5(2)3/h1,5H,2-3H3","InChI=1S/C6H8O/c1-4-6(5-2)7-3/h1,5H,2-3H3/b6-5+",79.62928000000001,17.72014,ketoenol
12554,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C:4](=[O:5])[C:6]#[C:7][H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]1([C:3]([H:12])([H:13])[H:14])[C@@:4]([C:6]#[C:7][H:15])([H:11])[O:5]1)([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-4-6(7)5(2)3/h1,5H,2-3H3","InChI=1S/C6H8O/c1-4-5-6(2,3)7-5/h1,5H,2-3H3/t5-/m0/s1",72.36332,20.55808,
12555,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C:4](=[O:5])[C:6]#[C:7][H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([C:6]1=[C:7]([H:15])[O:5]/[C:4]1=[C:2](\[C:3]([H:12])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-4-6(7)5(2)3/h1,5H,2-3H3","InChI=1S/C6H8O/c1-3-6-5(2)4-7-6/h3-4H,1-2H3/b6-3-",120.10708999999999,7.37971,
12556,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C:4](=[O:5])[C:6]#[C:7][H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([C@:2]1([H:11])[C:3]([H:12])([H:13])[C:7]([H:15])=[C:6]=[C:4]1[O:5][H:14])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-4-6(7)5(2)3/h1,5H,2-3H3","InChI=1S/C6H8O/c1-5-3-2-4-6(5)7/h2,5,7H,3H2,1H3/t5-/m1/s1",117.24535,20.62056,
12557,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C:4](=[O:5])[C:6]#[C:7][H:15])[H:11])([H:8])([H:9])[H:10],[C-:1]([O+:5]=[C:4]([C:2]([C:3]([H:12])([H:13])[H:14])([H:9])[H:11])[C:6]#[C:7][H:15])([H:8])[H:10],"InChI=1S/C6H8O/c1-4-6(7)5(2)3/h1,5H,2-3H3","InChI=1S/C6H8O/c1-4-6(5-2)7-3/h1H,3,5H2,2H3",102.52611999999999,56.222680000000004,
12558,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C:4](=[O:5])[C:6]#[C:7][H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([O+:5]=[C-:4][C:6]#[C:7][H:15])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-4-6(7)5(2)3/h1,5H,2-3H3","InChI=1S/C6H8O/c1-4-5-7-6(2)3/h1,6H,2-3H3",100.60502,56.791880000000006,
12559,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C:4](=[O:5])[C:6]#[C:7][H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]1([C:3]([H:12])([H:13])[H:14])[C:6](=[C:4]=[O:5])[C:7]1([H:11])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-4-6(7)5(2)3/h1,5H,2-3H3","InChI=1S/C6H8O/c1-6(2)3-5(6)4-7/h3H2,1-2H3",65.77804,-5.336530000000001,
12560,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C:4](=[O:5])[C:6]#[C:7][H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([C:7](=[C:6]=[C:4]=[O:5])[H:15])([H:12])[H:14])([H:11])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-4-6(7)5(2)3/h1,5H,2-3H3","InChI=1S/C6H8O/c1-2-3-4-5-6-7/h4H,2-3H2,1H3",77.85365999999999,-5.79853,
12561,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C:4](=[O:5])[C:6]#[C:7][H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C:4](=[O:5])[C:6](=[C:7])[H:15])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-4-6(7)5(2)3/h1,5H,2-3H3","InChI=1S/C6H8O/c1-4-6(7)5(2)3/h4-5H,2-3H3",41.91583,42.239959999999996,Singlet_Carbene_Intra_Disproportionation
12562,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C:4](=[O:5])[C:6]#[C:7][H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C-:4]=[O+:5][C:6]#[C:7][H:15])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-4-6(7)5(2)3/h1,5H,2-3H3","InChI=1S/C6H8O/c1-4-7-5-6(2)3/h1,6H,2-3H3",96.75282,81.64912,
12563,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C:4](=[O:5])[C:6]#[C:7][H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([C@:2]1([H:11])[C:4](=[C:6]=[C:7]([C:3]([H:12])([H:13])[H:14])[H:15])[O:5]1)([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-4-6(7)5(2)3/h1,5H,2-3H3","InChI=1S/C6H8O/c1-3-4-6-5(2)7-6/h3,5H,1-2H3/t4?,5-/m1/s1",93.29158000000001,22.12333,
12564,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C:4](=[O:5])[C:6]#[C:7][H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([H:9])[H:11])([O+:5]=[C-:4][C:6]#[C:7][H:15])([H:8])[H:10],"InChI=1S/C6H8O/c1-4-6(7)5(2)3/h1,5H,2-3H3","InChI=1S/C6H8O/c1-3-5-7-6-4-2/h1H,4,6H2,2H3",98.40741,60.53872,
12565,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C:4](=[O:5])[C:6]#[C:7][H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C:4](=[O:5])[H:11])[C:6]#[C:7][H:15])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-4-6(7)5(2)3/h1,5H,2-3H3","InChI=1S/C6H8O/c1-4-6(2,3)5-7/h1,5H,2-3H3",68.62680999999999,3.69878,
12566,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C:4](=[O:5])[C:6]#[C:7][H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([C:6]#[C:7][H:15])([H:8])([H:9])[H:10].[C:2]([C:3]([H:12])([H:13])[H:14])(=[C:4]=[O:5])[H:11],"InChI=1S/C6H8O/c1-4-6(7)5(2)3/h1,5H,2-3H3","InChI=1S/C3H4O.C3H4/c1-2-3-4;1-3-2/h2H,1H3;1H,2H3",79.80256,20.146929999999998,
12567,[C:1]([O:2][C:3](=[O:4])[C:5]([C:6](=[O:7])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]([O:4][C:6](=[O:7])[H:13])=[C:5]([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H6O3/c1-7-4(6)2-3-5/h3H,2H2,1H3","InChI=1S/C4H6O3/c1-4(6-2)7-3-5/h3H,1H2,2H3",43.864940000000004,19.13414,ketoenol
12568,[C:1]([O:2][C:3](=[O:4])[C:5]([C:6](=[O:7])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]1([H:8])([H:10])[O:2][C:3](=[O:4])[C:5]([H:11])([H:12])[C@@:6]1([O:7][H:9])[H:13],"InChI=1S/C4H6O3/c1-7-4(6)2-3-5/h3H,2H2,1H3","InChI=1S/C4H6O3/c5-3-1-4(6)7-2-3/h3,5H,1-2H2/t3-/m0/s1",78.9567,-5.97391,
12569,[C:1]([O:2][C:3](=[O:4])[C:5]([C:6](=[O:7])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](=[O+:2][C:3](=[O:4])[C:5]([C-:6]([O:7][H:9])[H:13])([H:11])[H:12])([H:8])[H:10],"InChI=1S/C4H6O3/c1-7-4(6)2-3-5/h3H,2H2,1H3","InChI=1S/C4H6O3/c1-7-4(6)2-3-5/h3,5H,1-2H2",82.66055,74.83738000000001,
12570,[C:1]([O:2][C:3](=[O:4])[C:5]([C:6](=[O:7])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:7][C:6](=[C:5]([H:11])[H:12])[H:13])([H:8])([H:9])[H:10].[O:2]=[C:3]=[O:4],"InChI=1S/C4H6O3/c1-7-4(6)2-3-5/h3H,2H2,1H3","InChI=1S/C3H6O.CO2/c1-3-4-2;2-1-3/h3H,1H2,2H3;",61.671780000000005,-2.70716,
12571,[C:1]([O:2][C:3](=[O:4])[C:5]([C:6](=[O:7])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C-:6]#[O+:7].[C:1]([O:2][H:13])([H:8])([H:9])[H:10].[C:3](=[O:4])=[C:5]([H:11])[H:12],"InChI=1S/C4H6O3/c1-7-4(6)2-3-5/h3H,2H2,1H3","InChI=1S/C2H2O.CH4O.CO/c1-2-3;2*1-2/h1H2;2H,1H3;",51.49456,31.898970000000002,
12572,[C:1]([O:2][C:3](=[O:4])[C:5]([C:6](=[O:7])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2]/[C:3]([O:4][H:12])=[C:5](/[C:6](=[O:7])[H:13])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H6O3/c1-7-4(6)2-3-5/h3H,2H2,1H3","InChI=1S/C4H6O3/c1-7-4(6)2-3-5/h2-3,6H,1H3/b4-2+",55.254180000000005,11.63218,ketoenol
12573,[C:1]([O:2][C:3](=[O:4])[C:5]([C:6](=[O:7])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C-:1]([O+:2]=[C:3]1[O:4][C@:6]([O:7][H:9])([H:13])[C:5]1([H:11])[H:12])([H:8])[H:10],"InChI=1S/C4H6O3/c1-7-4(6)2-3-5/h3H,2H2,1H3","InChI=1S/C4H6O3/c1-6-4-2-3(5)7-4/h3,5H,1-2H2/t3-/m1/s1",101.08294000000001,84.29034,
12574,[C:1]([O:2][C:3](=[O:4])[C:5]([C:6](=[O:7])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C:3](=[O:4])[C:5]([C:6][O:7][H:13])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H6O3/c1-7-4(6)2-3-5/h3H,2H2,1H3","InChI=1S/C4H6O3/c1-7-4(6)2-3-5/h5H,2H2,1H3",81.82464,55.94408000000001,
12575,[C:1]([O:2][C:3](=[O:4])[C:5]([C:6](=[O:7])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C-:6]#[O+:7].[C:1]([O:2][C:3]([O:4][H:13])=[C:5]([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H6O3/c1-7-4(6)2-3-5/h3H,2H2,1H3","InChI=1S/C3H6O2.CO/c1-3(4)5-2;1-2/h4H,1H2,2H3;",40.63412,22.4199,
12576,[C:1]([O:2][C:3](=[O:4])[C:5]([C:6](=[O:7])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C:3](=[O:4])[O:7][C:6](=[C:5]([H:11])[H:12])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H6O3/c1-7-4(6)2-3-5/h3H,2H2,1H3","InChI=1S/C4H6O3/c1-3-7-4(5)6-2/h3H,1H2,2H3",59.980169999999994,5.4038900000000005,ketoenol
12577,[C:1]([O:2][C:3](=[O:4])[C:5]([C:6](=[O:7])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O+:2]=[C-:3][O:4][C:5]([C:6](=[O:7])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H6O3/c1-7-4(6)2-3-5/h3H,2H2,1H3","InChI=1S/C4H6O3/c1-6-4-7-3-2-5/h2H,3H2,1H3",99.41202,60.804880000000004,
12578,[C:1]([O:2][C:3](=[O:4])[C:5]([C:6](=[O:7])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C:6](=[O:7])[H:13])([H:8])([H:9])[H:10].[C:3](=[O:4])=[C:5]([H:11])[H:12],"InChI=1S/C4H6O3/c1-7-4(6)2-3-5/h3H,2H2,1H3","InChI=1S/C2H4O2.C2H2O/c1-4-2-3;1-2-3/h2H,1H3;1H2",50.23512,19.25425,
12579,[C:1]([O:2][C:3](=[O:4])[C:5]([C:6](=[O:7])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:5]([C:6](=[O:7])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10].[O:2]=[C:3]=[O:4],"InChI=1S/C4H6O3/c1-7-4(6)2-3-5/h3H,2H2,1H3","InChI=1S/C3H6O.CO2/c1-2-3-4;2-1-3/h3H,2H2,1H3;",79.97713,-19.49359,"1,3_Insertion_CO2"
12580,[C:1]([O:2][C:3](=[O:4])[C:5]([C:6](=[O:7])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C@:3]1([H:12])[O:4][O:7][C:6]([H:13])=[C:5]1[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H6O3/c1-7-4(6)2-3-5/h3H,2H2,1H3","InChI=1S/C4H6O3/c1-5-4-2-3-6-7-4/h2-4H,1H3/t4-/m1/s1",88.80421,80.93157,
12581,[C:1]([O:2][C:3](=[O:4])[C:5]([C:6](=[O:7])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O+:2]=[C-:3][O:4][C@:6]1([H:13])[C:5]([H:11])([H:12])[O:7]1)([H:8])([H:9])[H:10],"InChI=1S/C4H6O3/c1-7-4(6)2-3-5/h3H,2H2,1H3","InChI=1S/C4H6O3/c1-5-3-7-4-2-6-4/h4H,2H2,1H3/t4-/m1/s1",99.71358000000001,79.43555,
12582,[C:1]([O:2][C:3](=[O:4])[C:5]([C:6](=[O:7])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](=[O:2])([H:8])[H:10].[C:3](=[O:4])=[C:5]([H:11])[H:12].[C:6](=[O:7])([H:9])[H:13],"InChI=1S/C4H6O3/c1-7-4(6)2-3-5/h3H,2H2,1H3",InChI=1S/C2H2O.2CH2O/c1-2-3;2*1-2/h1H2;2*1H2,67.14598000000001,54.57416,
12583,[C:1]([O:2][C:3](=[O:4])[C:5]([C:6](=[O:7])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]1([H:8])([H:10])[O:2][C@@:3]12[O:4][C@:6]([O:7][H:9])([H:13])[C:5]2([H:11])[H:12],"InChI=1S/C4H6O3/c1-7-4(6)2-3-5/h3H,2H2,1H3","InChI=1S/C4H6O3/c5-3-1-4(7-3)2-6-4/h3,5H,1-2H2/t3-,4+/m1/s1",83.97936,40.51659,
12584,[C:1]([O:2][C:3](=[O:4])[C:5]([C:6](=[O:7])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][O:7][C@:6]1([H:13])[C:3](=[O:4])[C:5]1([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H6O3/c1-7-4(6)2-3-5/h3H,2H2,1H3","InChI=1S/C4H6O3/c1-6-7-4-2-3(4)5/h4H,2H2,1H3/t4-/m0/s1",112.42878999999999,107.44843999999999,
12585,[C:1]([O:2][C:3](=[O:4])[C:5]([C:6](=[O:7])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C:3](=[O:4])[C:5]([O+:7]=[C-:6][H:13])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H6O3/c1-7-4(6)2-3-5/h3H,2H2,1H3","InChI=1S/C4H6O3/c1-6-3-4(5)7-2/h1H,3H2,2H3",111.75088000000001,71.40971,
12586,[C:1]([O:2][C:3](=[O:4])[C:5]([C:6](=[O:7])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C@:3]1([O+:7]=[C-:6][H:13])[O:4][C:5]1([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H6O3/c1-7-4(6)2-3-5/h3H,2H2,1H3","InChI=1S/C4H6O3/c1-5-4(6-2)3-7-4/h1H,3H2,2H3/t4-/m0/s1",117.17836000000001,107.80049,
12587,[C:1]([O:2][C:3](=[O:4])[C:5]([C:6](=[O:7])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C:3](=[O:4])/[C:5](=[C:6](/[O:7][H:12])[H:13])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H6O3/c1-7-4(6)2-3-5/h3H,2H2,1H3","InChI=1S/C4H6O3/c1-7-4(6)2-3-5/h2-3,5H,1H3/b3-2+",55.1757,-1.97193,ketoenol
12588,[C:1]([C:2]([C@@:3]1([C:6]#[N:7])[C:4]([H:13])([H:14])[O:5]1)([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]1=[C:6]=[N:7][C:4]([H:13])([H:14])[O:5]1)([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-2-5(3-6)4-7-5/h2,4H2,1H3/t5-/m1/s1","InChI=1S/C5H7NO/c1-2-5-3-6-4-7-5/h2,4H2,1H3",85.54533,44.69562,
12589,[C:1]([C:2]([C@@:3]1([C:6]#[N:7])[C:4]([H:13])([H:14])[O:5]1)([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3](=[C:4]([H:13])[H:14])[C:6]#[N+:7][O-:5])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-2-5(3-6)4-7-5/h2,4H2,1H3/t5-/m1/s1","InChI=1S/C5H7NO/c1-3-5(2)4-6-7/h2-3H2,1H3",81.57436,24.95449,
12590,[C:1]([C:2]([C@@:3]1([C:6]#[N:7])[C:4]([H:13])([H:14])[O:5]1)([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3][C:4]([O:5][C:6]#[N:7])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-2-5(3-6)4-7-5/h2,4H2,1H3/t5-/m1/s1","InChI=1S/C5H7NO/c1-2-3-4-7-5-6/h2,4H2,1H3",79.20894,75.54498000000001,
12591,[C:1]([C:2]([C@@:3]1([C:6]#[N:7])[C:4]([H:13])([H:14])[O:5]1)([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([H:9])([H:11])[H:12])([N:7]=[C:6]=[C:3]1[C:4]([H:13])([H:14])[O:5]1)([H:8])[H:10],"InChI=1S/C5H7NO/c1-2-5(3-6)4-7-5/h2,4H2,1H3/t5-/m1/s1","InChI=1S/C5H7NO/c1-2-6-3-5-4-7-5/h2,4H2,1H3",94.09943,39.18718,
12592,[C:1]([C:2]([C@@:3]1([C:6]#[N:7])[C:4]([H:13])([H:14])[O:5]1)([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]1=[O+:5][C:4]([H:13])([H:14])[C:6]1=[N-:7])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-2-5(3-6)4-7-5/h2,4H2,1H3/t5-/m1/s1","InChI=1S/C5H7NO/c1-2-5-4(6)3-7-5/h2-3H2,1H3",55.957190000000004,53.433580000000006,
12593,[C:1]([C:2]([C@@:3]1([C:6]#[N:7])[C:4]([H:13])([H:14])[O:5]1)([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:3]1([C-:6]=[N:7][H:14])[C:4]([H:13])=[O+:5]1)([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-2-5(3-6)4-7-5/h2,4H2,1H3/t5-/m1/s1","InChI=1S/C5H7NO/c1-2-5(3-6)4-7-5/h4,6H,2H2,1H3/t5-/m1/s1",125.35448999999998,74.13333,
12594,[C:1]([C:2]([C@@:3]1([C:6]#[N:7])[C:4]([H:13])([H:14])[O:5]1)([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([C:4]([C:6]#[N:7])([H:13])[H:14])=[O:5])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-2-5(3-6)4-7-5/h2,4H2,1H3/t5-/m1/s1","InChI=1S/C5H7NO/c1-2-5(7)3-4-6/h2-3H2,1H3",60.92865,-25.33288,
12595,[C:1]([C:2]([C@@:3]1([C:6]#[N:7])[C:4]([H:13])([H:14])[O:5]1)([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:3]([C:4][H:13])([O:5][H:14])[C:6]#[N:7])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-2-5(3-6)4-7-5/h2,4H2,1H3/t5-/m1/s1","InChI=1S/C5H7NO/c1-3-5(2,7)4-6/h2,7H,3H2,1H3/t5-/m1/s1",69.92979,67.36298000000001,
12596,[C:1]([C:2]([C@@:3]1([C:6]#[N:7])[C:4]([H:13])([H:14])[O:5]1)([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:3]([O+:5]=[C-:4][H:14])([C:6]#[N:7])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-2-5(3-6)4-7-5/h2,4H2,1H3/t5-/m1/s1","InChI=1S/C5H7NO/c1-3-5(4-6)7-2/h2,5H,3H2,1H3/t5-/m1/s1",81.2218,49.92702,
12597,[C:1]([C:2]([C@@:3]1([C:6]#[N:7])[C:4]([H:13])([H:14])[O:5]1)([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:5][C:4]([C:3](=[C:2]([H:11])[H:12])[C:6]#[N:7])([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-2-5(3-6)4-7-5/h2,4H2,1H3/t5-/m1/s1","InChI=1S/C5H7NO/c1-5(3-6)4-7-2/h1,4H2,2H3",79.40569,-1.3998700000000002,
12598,[C:1]([C:2]([C@@:3]1([C:6]#[N:7])[C:4]([H:13])([H:14])[O:5]1)([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]1([H:9])([H:10])[C:6]([C@:3]2([C:2]([H:8])([H:11])[H:12])[C:4]([H:13])([H:14])[O:5]2)=[N:7]1,"InChI=1S/C5H7NO/c1-2-5(3-6)4-7-5/h2,4H2,1H3/t5-/m1/s1","InChI=1S/C5H7NO/c1-5(3-7-5)4-2-6-4/h2-3H2,1H3/t5-/m0/s1",105.72676000000001,35.57992,
12599,[C:1]([C:2]([C@@:3]1([C:6]#[N:7])[C:4]([H:13])([H:14])[O:5]1)([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([O+:5]=[C:4]([H:13])[H:14])=[C:6]=[N-:7])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-2-5(3-6)4-7-5/h2,4H2,1H3/t5-/m1/s1","InChI=1S/C5H7NO/c1-3-5(4-6)7-2/h2-3H2,1H3",43.246159999999996,26.79278,
12600,[C:1]([C:2]([C@@:3]1([C:6]#[N:7])[C:4]([H:13])([H:14])[O:5]1)([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:3]1([N+:7]#[C-:6])[C:4]([H:13])([H:14])[O:5]1)([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-2-5(3-6)4-7-5/h2,4H2,1H3/t5-/m1/s1","InChI=1S/C5H7NO/c1-3-5(6-2)4-7-5/h3-4H2,1H3/t5-/m0/s1",54.664730000000006,22.361729999999998,
12601,[C:1]([C:2]([C@@:3]1([C:6]#[N:7])[C:4]([H:13])([H:14])[O:5]1)([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3](=[O:5])[C:6]1=[N:7][C:4]1([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-2-5(3-6)4-7-5/h2,4H2,1H3/t5-/m1/s1","InChI=1S/C5H7NO/c1-2-5(7)4-3-6-4/h2-3H2,1H3",55.51065,12.36075,
12602,[C:1]([C:2]([C@@:3]1([C:6]#[N:7])[C:4]([H:13])([H:14])[O:5]1)([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](=[C:2]([H:11])[H:12])([H:9])[H:10].[C:3]1(=[C:6]=[N:7][H:8])[C:4]([H:13])([H:14])[O:5]1,"InChI=1S/C5H7NO/c1-2-5(3-6)4-7-5/h2,4H2,1H3/t5-/m1/s1","InChI=1S/C3H3NO.C2H4/c4-1-3-2-5-3;1-2/h4H,2H2;1-2H2",62.1956,59.241009999999996,Retroene
12603,[C:1]([C:2]([C@@:3]1([C:6]#[N:7])[C:4]([H:13])([H:14])[O:5]1)([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([N+:7]#[C-:6])([H:8])([H:9])[H:10].[C:2](=[C:3]1[C:4]([H:13])([H:14])[O:5]1)([H:11])[H:12],"InChI=1S/C5H7NO/c1-2-5(3-6)4-7-5/h2,4H2,1H3/t5-/m1/s1",InChI=1S/C3H4O.C2H3N/c1-3-2-4-3;1-3-2/h1-2H2;1H3,108.94981999999999,51.21826,
12604,[C:1]([C:2]([C@@:3]1([C:6]#[N:7])[C:4]([H:13])([H:14])[O:5]1)([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](=[C:2]([H:11])[H:12])([H:9])[H:10].[C:3]([C:4]([H:8])([H:13])[H:14])(=[O:5])[C:6]#[N:7],"InChI=1S/C5H7NO/c1-2-5(3-6)4-7-5/h2,4H2,1H3/t5-/m1/s1",InChI=1S/C3H3NO.C2H4/c1-3(5)2-4;1-2/h1H3;1-2H2,58.51583,1.74151,
12605,[C:1]([C:2]([C@@:3]1([C:6]#[N:7])[C:4]([H:13])([H:14])[O:5]1)([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:3](=[C:2]([H:11])[H:12])[C:6]#[N:7])([H:8])([H:9])[H:10].[C:4](=[O:5])([H:13])[H:14],"InChI=1S/C5H7NO/c1-2-5(3-6)4-7-5/h2,4H2,1H3/t5-/m1/s1","InChI=1S/C4H5N.CH2O/c1-4(2)3-5;1-2/h1H2,2H3;1H2",79.27083,2.3784,
12606,[C:1]([C:2]([C@@:3]1([C:6]#[N:7])[C:4]([H:13])([H:14])[O:5]1)([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:4]([O+:5]=[C:3]=[C:6]=[N-:7])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-2-5(3-6)4-7-5/h2,4H2,1H3/t5-/m1/s1","InChI=1S/C5H7NO/c1-2-4-7-5-3-6/h2,4H2,1H3",93.43865,35.746159999999996,
12607,[C:1]([n:2]1[c:3]([H:11])[c:4]([C:5]([H:12])([H:13])[H:14])[c:6]([H:15])[n:7]1)([H:8])([H:9])[H:10],[C-:1]([n+:2]1[c:3]([H:11])[c:4]([C:5]([H:12])([H:13])[H:14])[c:6]([H:15])[n:7]1[H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5-3-6-7(2)4-5/h3-4H,1-2H3","InChI=1S/C5H8N2/c1-5-3-6-7(2)4-5/h3-4,6H,2H2,1H3",64.80195,52.31028,
12608,[C:1]([n:2]1[c:3]([H:11])[c:4]([C:5]([H:12])([H:13])[H:14])[c:6]([H:15])[n:7]1)([H:8])([H:9])[H:10],[C:1](/[N:2]=[C:3](/[C@:4]1([C:5]([H:12])([H:13])[H:14])[C:6]([H:15])=[N:7]1)[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5-3-6-7(2)4-5/h3-4H,1-2H3","InChI=1S/C5H8N2/c1-5(3-6-2)4-7-5/h3-4H,1-2H3/b6-3+/t5-/m1/s1",72.80415,42.583529999999996,
12609,[C:1]([n:2]1[c:3]([H:11])[c:4]([C:5]([H:12])([H:13])[H:14])[c:6]([H:15])[n:7]1)([H:8])([H:9])[H:10],[C:1]([N:2]1[C@@:3]([C:5]([H:12])([H:13])[H:14])([H:11])[C+:4]=[C:6]([H:15])[N-:7]1)([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5-3-6-7(2)4-5/h3-4H,1-2H3","InChI=1S/C5H8N2/c1-5-3-4-6-7(5)2/h4-5H,1-2H3/t5-/m1/s1",89.47735,74.66154,
12610,[C:1]([n:2]1[c:3]([H:11])[c:4]([C:5]([H:12])([H:13])[H:14])[c:6]([H:15])[n:7]1)([H:8])([H:9])[H:10],[C:1]([N:2]1[C+:3]([H:11])[C:4](=[C:5]([H:13])[H:14])[C-:6]([H:15])[N:7]1[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5-3-6-7(2)4-5/h3-4H,1-2H3","InChI=1S/C5H8N2/c1-5-3-6-7(2)4-5/h3-4,6H,1H2,2H3",113.54495,74.03041,
12611,[C:1]([n:2]1[c:3]([H:11])[c:4]([C:5]([H:12])([H:13])[H:14])[c:6]([H:15])[n:7]1)([H:8])([H:9])[H:10],[C:1]([n:2]1[c+:3]([H:11])[c:4]([C:5]([H:12])([H:13])[H:14])[c-:6][n:7]1[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5-3-6-7(2)4-5/h3-4H,1-2H3","InChI=1S/C5H8N2/c1-5-3-6-7(2)4-5/h4,6H,1-2H3",77.17727,54.880630000000004,
12612,[C:1]([n:2]1[c:3]([H:11])[c:4]([C:5]([H:12])([H:13])[H:14])[c:6]([H:15])[n:7]1)([H:8])([H:9])[H:10],[C:1]([C@:3]1([H:11])[N:2]=[N:7][C:6]([H:15])=[C:4]1[C:5]([H:12])([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5-3-6-7(2)4-5/h3-4H,1-2H3","InChI=1S/C5H8N2/c1-4-3-6-7-5(4)2/h3,5H,1-2H3/t5-/m0/s1",60.4887,22.722739999999998,
12613,[C:1]([n:2]1[c:3]([H:11])[c:4]([C:5]([H:12])([H:13])[H:14])[c:6]([H:15])[n:7]1)([H:8])([H:9])[H:10],[C:1]([N-:2][N+:7]#[C:6][H:15])([H:8])([H:9])[H:10].[C:3](#[C:4][C:5]([H:12])([H:13])[H:14])[H:11],"InChI=1S/C5H8N2/c1-5-3-6-7(2)4-5/h3-4H,1-2H3","InChI=1S/C3H4.C2H4N2/c1-3-2;1-3-4-2/h1H,2H3;1H,2H3",99.18384,93.88276,
12614,[C:1]([n:2]1[c:3]([H:11])[c:4]([C:5]([H:12])([H:13])[H:14])[c:6]([H:15])[n:7]1)([H:8])([H:9])[H:10],[C:1]([N:2]=[C:3]([C:4]([C:5]([H:12])([H:13])[H:14])=[C:6]=[N:7][H:15])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5-3-6-7(2)4-5/h3-4H,1-2H3","InChI=1S/C5H8N2/c1-5(3-6)4-7-2/h4,6H,1-2H3",77.63233000000001,18.878320000000002,
12615,[C:1]([n:2]1[c:3]([H:11])[c:4]([C:5]([H:12])([H:13])[H:14])[c:6]([H:15])[n:7]1)([H:8])([H:9])[H:10],[C:1]([N+:2]([C@:3]1([H:11])[C:4]([C:5]([H:12])([H:13])[H:14])=[C:6]1[H:15])=[N-:7])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5-3-6-7(2)4-5/h3-4H,1-2H3","InChI=1S/C5H8N2/c1-4-3-5(4)7(2)6/h3,5H,1-2H3/t5-/m0/s1",134.13986,93.64896999999999,
12616,[C:1]([n:2]1[c:3]([H:11])[c:4]([C:5]([H:12])([H:13])[H:14])[c:6]([H:15])[n:7]1)([H:8])([H:9])[H:10],[C:1]([N:2]1[C@@:3]2([H:11])[C:4]([C:5]([H:12])([H:13])[H:14])=[C:6]([H:15])[N:7]12)([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5-3-6-7(2)4-5/h3-4H,1-2H3","InChI=1S/C5H8N2/c1-4-3-7-5(4)6(7)2/h3,5H,1-2H3/t5-,6?,7?/m1/s1",109.61366000000001,84.54451999999999,
12617,[C:1]([n:2]1[c:3]([H:11])[c:4]([C:5]([H:12])([H:13])[H:14])[c:6]([H:15])[n:7]1)([H:8])([H:9])[H:10],[C:1]([N:2]1[C:3]([H:11])=[C:4]=[C:6]([H:15])[N:7]1[C:5]([H:12])([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5-3-6-7(2)4-5/h3-4H,1-2H3","InChI=1S/C5H8N2/c1-6-4-3-5-7(6)2/h4-5H,1-2H3",111.90723999999999,69.82231999999999,
12618,[C:1]([n:2]1[c:3]([H:11])[c:4]([C:5]([H:12])([H:13])[H:14])[c:6]([H:15])[n:7]1)([H:8])([H:9])[H:10],[C:1]([N:2]1[C:3]([H:11])([H:12])[C:4](=[C:5]([H:13])[H:14])[C:6]([H:15])=[N:7]1)([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5-3-6-7(2)4-5/h3-4H,1-2H3","InChI=1S/C5H8N2/c1-5-3-6-7(2)4-5/h3H,1,4H2,2H3",89.90361,25.27646,
12619,[C:1]([n:2]1[c:3]([H:11])[c:4]([C:5]([H:12])([H:13])[H:14])[c:6]([H:15])[n:7]1)([H:8])([H:9])[H:10],[C:1](=[N+:2]1[C:3]([H:11])=[C:4]([C:5]([H:12])([H:13])[H:14])[C:6]([H:8])([H:15])[N-:7]1)([H:9])[H:10],"InChI=1S/C5H8N2/c1-5-3-6-7(2)4-5/h3-4H,1-2H3","InChI=1S/C5H8N2/c1-5-3-6-7(2)4-5/h4H,2-3H2,1H3",97.34263,43.17403,
12620,[C:1]([n:2]1[c:3]([H:11])[c:4]([C:5]([H:12])([H:13])[H:14])[c:6]([H:15])[n:7]1)([H:8])([H:9])[H:10],[C:1](/[N:2]=[C:3](/[C@@:4]([C:5]([H:12])([H:13])[H:14])([C:6]#[N:7])[H:15])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5-3-6-7(2)4-5/h3-4H,1-2H3","InChI=1S/C5H8N2/c1-5(3-6)4-7-2/h4-5H,1-2H3/b7-4+/t5-/m0/s1",77.64144,6.88779,
12621,[C:1]([n:2]1[c:3]([H:11])[c:4]([C:5]([H:12])([H:13])[H:14])[c:6]([H:15])[n:7]1)([H:8])([H:9])[H:10],[C:1]([N+:2]1([H:12])[C-:3]([H:11])[C:4](=[C:5]([H:13])[H:14])[C:6]([H:15])=[N:7]1)([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5-3-6-7(2)4-5/h3-4H,1-2H3","InChI=1S/C5H8N2/c1-5-3-6-7(2)4-5/h3-4,7H,1H2,2H3",113.55888,73.75152,
12622,[C:1]([n:2]1[c:3]([H:11])[c:4]([C:5]([H:12])([H:13])[H:14])[c:6]([H:15])[n:7]1)([H:8])([H:9])[H:10],[C:1]([N:2]1[C:3]([H:11])=[C+:4][C@:6]([C:5]([H:12])([H:13])[H:14])([H:15])[N-:7]1)([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5-3-6-7(2)4-5/h3-4H,1-2H3","InChI=1S/C5H8N2/c1-5-3-4-7(2)6-5/h4-5H,1-2H3/t5-/m1/s1",94.77911999999999,77.88939,
12623,[C:1]([n:2]1[c:3]([H:11])[c:4]([C:5]([H:12])([H:13])[H:14])[c:6]([H:15])[n:7]1)([H:8])([H:9])[H:10],[C:1]([N+:2]1([H:11])[C-:3]=[C:4]([C:5]([H:12])([H:13])[H:14])[C:6]([H:15])=[N:7]1)([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5-3-6-7(2)4-5/h3-4H,1-2H3","InChI=1S/C5H8N2/c1-5-3-6-7(2)4-5/h3,7H,1-2H3",83.02736,70.37745,
12624,[C:1]([n:2]1[c:3]([H:11])[c:4]([C:5]([H:12])([H:13])[H:14])[c:6]([H:15])[n:7]1)([H:8])([H:9])[H:10],[C:1]([N+:2]([C:3](=[C:4]=[C:6]([C:5]([H:12])([H:13])[H:14])[H:15])[H:11])=[N-:7])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5-3-6-7(2)4-5/h3-4H,1-2H3","InChI=1S/C5H8N2/c1-3-4-5-7(2)6/h3,5H,1-2H3",94.75564,81.96868,
12625,[C:1]([n:2]1[c:3]([H:11])[c:4]([C:5]([H:12])([H:13])[H:14])[c:6]([H:15])[n:7]1)([H:8])([H:9])[H:10],[C:1](/[N:2]=[N:7]/[C:6](=[C:4]=[C:3]([C:5]([H:12])([H:13])[H:14])[H:11])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5-3-6-7(2)4-5/h3-4H,1-2H3","InChI=1S/C5H8N2/c1-3-4-5-7-6-2/h3,5H,1-2H3/b7-6+",89.47414,58.67915,
12626,[C:1]([n:2]1[c:3]([H:11])[c:4]([C:5]([H:12])([H:13])[H:14])[c:6]([H:15])[n:7]1)([H:8])([H:9])[H:10],[C-:1]([N+:2]1=[C:3]([H:11])[C@@:4]([C:5]([H:12])([H:13])[H:14])([H:8])[C:6]([H:15])=[N:7]1)([H:9])[H:10],"InChI=1S/C5H8N2/c1-5-3-6-7(2)4-5/h3-4H,1-2H3","InChI=1S/C5H8N2/c1-5-3-6-7(2)4-5/h3-5H,2H2,1H3/t5-/m1/s1",98.53449,55.71428,
12627,[C:1]([n:2]1[c:3]([H:11])[c:4]([C:5]([H:12])([H:13])[H:14])[c:6]([H:15])[n:7]1)([H:8])([H:9])[H:10],[C:1](=[N+:2]1[C:3]([H:8])([H:11])[C:4]([C:5]([H:12])([H:13])[H:14])=[C:6]([H:15])[N-:7]1)([H:9])[H:10],"InChI=1S/C5H8N2/c1-5-3-6-7(2)4-5/h3-4H,1-2H3","InChI=1S/C5H8N2/c1-5-3-6-7(2)4-5/h3H,2,4H2,1H3",89.71647,39.32479,
12628,[C:1]([n:2]1[c:3]([H:11])[c:4]([C:5]([H:12])([H:13])[H:14])[c:6]([H:15])[n:7]1)([H:8])([H:9])[H:10],[C:1](/[N:2]=[C:3](/[C:4]([C:5]([H:12])([H:13])[H:14])=[N+:7]=[C-:6][H:15])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-5-3-6-7(2)4-5/h3-4H,1-2H3","InChI=1S/C5H8N2/c1-5(7-3)4-6-2/h3-4H,1-2H3/b6-4+",135.74558000000002,43.20044,
12629,[C:1]([n:2]1[c:3]([H:11])[c:4]([C:5]([H:12])([H:13])[H:14])[c:6]([H:15])[n:7]1)([H:8])([H:9])[H:10],[C-:1]([N+:2]1([H:8])[C:3]([H:11])=[C:4]([C:5]([H:12])([H:13])[H:14])[C:6]([H:15])=[N:7]1)([H:9])[H:10],"InChI=1S/C5H8N2/c1-5-3-6-7(2)4-5/h3-4H,1-2H3","InChI=1S/C5H8N2/c1-5-3-6-7(2)4-5/h3-4,7H,2H2,1H3",96.29178,91.81085,
12630,[C:1]([N:2]1[C@@:3]2([H:11])[C@@:4]3([H:12])[C:5]([H:13])([H:14])[C@:6]1([H:15])[C@@:7]23[H:16])([H:8])([H:9])[H:10],[C:1]([N+:2]12[C@@:3]3([H:11])[C@@:4]([H:12])([C:5]1([H:13])[H:14])[C@@:7]3([H:16])[C-:6]2[H:15])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-7-4-2-3-5(4)6(3)7/h3-6H,2H2,1H3/t3-,4+,5-,6-/m0/s1","InChI=1S/C6H9N/c1-7-2-4-5(3-7)6(4)7/h2,4-6H,3H2,1H3/t4-,5+,6-,7?/m1/s1",94.49901,66.02557,
12631,[C:1]([N:2]1[C@@:3]2([H:11])[C@@:4]3([H:12])[C:5]([H:13])([H:14])[C@:6]1([H:15])[C@@:7]23[H:16])([H:8])([H:9])[H:10],[C:1]([N+:2]1=[C:6]([H:15])[C:7]([C:4](=[C:5]([H:13])[H:14])[H:12])([H:16])[C-:3]1[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-7-4-2-3-5(4)6(3)7/h3-6H,2H2,1H3/t3-,4+,5-,6-/m0/s1","InChI=1S/C6H9N/c1-3-6-4-7(2)5-6/h3-6H,1H2,2H3",30.44633,12.00575,
12632,[C:1]([N:2]1[C@@:3]2([H:11])[C@@:4]3([H:12])[C:5]([H:13])([H:14])[C@:6]1([H:15])[C@@:7]23[H:16])([H:8])([H:9])[H:10],[C:1](/[N:2]=[C:3](/[C@@:4]1([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])=[C:7]1[H:16])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-7-4-2-3-5(4)6(3)7/h3-6H,2H2,1H3/t3-,4+,5-,6-/m0/s1","InChI=1S/C6H9N/c1-7-5-6-3-2-4-6/h2-3,5-6H,4H2,1H3/b7-5+/t6-/m1/s1",31.74072,-28.57915,
12633,[C:1]([N:2]1[C@@:3]2([H:11])[C@@:4]3([H:12])[C:5]([H:13])([H:14])[C@:6]1([H:15])[C@@:7]23[H:16])([H:8])([H:9])[H:10],[C:1]([N:2]1[C:3]([H:11])=[C:7]2[C:4]([H:12])([H:16])[C:5]([H:13])([H:14])[C@@:6]12[H:15])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-7-4-2-3-5(4)6(3)7/h3-6H,2H2,1H3/t3-,4+,5-,6-/m0/s1","InChI=1S/C6H9N/c1-7-4-5-2-3-6(5)7/h4,6H,2-3H2,1H3/t6-/m1/s1",54.499340000000004,4.60775,
12634,[C:1]([N:2]1[C@@:3]2([H:11])[C@@:4]3([H:12])[C:5]([H:13])([H:14])[C@:6]1([H:15])[C@@:7]23[H:16])([H:8])([H:9])[H:10],[C:1]([N:2]1[C:3]([H:11])=[C:4]([H:12])[C@@:7]2([H:16])[C:5]([H:13])([H:14])[C@@:6]12[H:15])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-7-4-2-3-5(4)6(3)7/h3-6H,2H2,1H3/t3-,4+,5-,6-/m0/s1","InChI=1S/C6H9N/c1-7-3-2-5-4-6(5)7/h2-3,5-6H,4H2,1H3/t5-,6+/m0/s1",73.33455,-37.233109999999996,
12635,[C:1]([N:2]1[C@@:3]2([H:11])[C@@:4]3([H:12])[C:5]([H:13])([H:14])[C@:6]1([H:15])[C@@:7]23[H:16])([H:8])([H:9])[H:10],[C:1]([N+:2]1([H:16])[C@@:3]2([H:11])[C@@:4]3([H:12])[C:5]([H:13])([H:14])[C@:6]1([H:15])[C-:7]23)([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-7-4-2-3-5(4)6(3)7/h3-6H,2H2,1H3/t3-,4+,5-,6-/m0/s1","InChI=1S/C6H8N/c1-7-4-2-3-5(4)6(3)7/h3-4,6H,2H2,1H3/q-1/p+1/t3-,4+,6-/m0/s1",86.99794,59.086780000000005,
12636,[C:1]([N:2]1[C@@:3]2([H:11])[C@@:4]3([H:12])[C:5]([H:13])([H:14])[C@:6]1([H:15])[C@@:7]23[H:16])([H:8])([H:9])[H:10],[C:1]([N:2]1[C@:6]2([H:15])[C:5]([H:13])([H:14])[C:4]([H:12])=[C:3]([H:11])[C@:7]12[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-7-4-2-3-5(4)6(3)7/h3-6H,2H2,1H3/t3-,4+,5-,6-/m0/s1","InChI=1S/C6H9N/c1-7-5-3-2-4-6(5)7/h2-3,5-6H,4H2,1H3/t5-,6+,7?/m0/s1",51.49074,-32.39508,
12637,[C:1]([N:2]1[C@@:3]2([H:11])[C@@:4]3([H:12])[C:5]([H:13])([H:14])[C@:6]1([H:15])[C@@:7]23[H:16])([H:8])([H:9])[H:10],[C:1](=[N:2][C:3]([C@@:4]1([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])=[C:7]1[H:16])([H:9])[H:11])([H:8])[H:10],"InChI=1S/C6H9N/c1-7-4-2-3-5(4)6(3)7/h3-6H,2H2,1H3/t3-,4+,5-,6-/m0/s1","InChI=1S/C6H9N/c1-7-5-6-3-2-4-6/h2-3,6H,1,4-5H2/t6-/m1/s1",71.8913,-24.27573,
12638,[C:1]([N:2]1[C@@:3]2([H:11])[C@@:4]3([H:12])[C:5]([H:13])([H:14])[C@:6]1([H:15])[C@@:7]23[H:16])([H:8])([H:9])[H:10],[C:1]([N:2]1[C@@:3]2([H:11])[C:4][C:5]([H:13])([H:14])[C@:6]1([H:15])[C:7]2([H:12])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-7-4-2-3-5(4)6(3)7/h3-6H,2H2,1H3/t3-,4+,5-,6-/m0/s1","InChI=1S/C6H9N/c1-7-5-2-3-6(7)4-5/h5-6H,2,4H2,1H3/t5-,6+/m1/s1",59.188959999999994,47.87072,
12639,[C:1]([N:2]1[C@@:3]2([H:11])[C@@:4]3([H:12])[C:5]([H:13])([H:14])[C@:6]1([H:15])[C@@:7]23[H:16])([H:8])([H:9])[H:10],[C:1]([N:2]([C@@:3]1([H:11])[C@@:4]2([H:12])[C:5]([H:13])([H:14])[C:6][C@@:7]12[H:16])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-7-4-2-3-5(4)6(3)7/h3-6H,2H2,1H3/t3-,4+,5-,6-/m0/s1","InChI=1S/C6H9N/c1-7-6-4-2-3-5(4)6/h4-7H,2H2,1H3/t4-,5+,6-/m0/s1",58.467040000000004,39.20787,
12640,[C:1]([N:2]1[C@@:3]2([H:11])[C@@:4]3([H:12])[C:5]([H:13])([H:14])[C@:6]1([H:15])[C@@:7]23[H:16])([H:8])([H:9])[H:10],[C:1]([N:2]([C@@:3]1([H:11])[C@@:4]2([H:12])[C:5]([H:14])=[C:6]([H:15])[C@@:7]12[H:16])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-7-4-2-3-5(4)6(3)7/h3-6H,2H2,1H3/t3-,4+,5-,6-/m0/s1","InChI=1S/C6H9N/c1-7-6-4-2-3-5(4)6/h2-7H,1H3/t4-,5+,6-",69.10493000000001,-0.8584,
12641,[C:1]([N:2]1[C@@:3]2([H:11])[C@@:4]3([H:12])[C:5]([H:13])([H:14])[C@:6]1([H:15])[C@@:7]23[H:16])([H:8])([H:9])[H:10],[C:1]([N:2]1[C:3]([H:11])([H:12])[C@@:7]2([H:16])[C:4][C:5]([H:13])([H:14])[C@@:6]12[H:15])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-7-4-2-3-5(4)6(3)7/h3-6H,2H2,1H3/t3-,4+,5-,6-/m0/s1","InChI=1S/C6H9N/c1-7-4-5-2-3-6(5)7/h5-6H,3-4H2,1H3/t5-,6-/m1/s1",52.43076,56.68529,
12642,[C:1]([N:2]1[C@@:3]2([H:11])[C@@:4]3([H:12])[C:5]([H:13])([H:14])[C@:6]1([H:15])[C@@:7]23[H:16])([H:8])([H:9])[H:10],[C:1]([N+:2]1=[C:6]([H:15])[C:5]([H:13])([H:14])[C@:4]2([H:12])[C@@:3]1([H:11])[C-:7]2[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-7-4-2-3-5(4)6(3)7/h3-6H,2H2,1H3/t3-,4+,5-,6-/m0/s1","InChI=1S/C6H9N/c1-7-3-2-5-4-6(5)7/h3-6H,2H2,1H3/t5-,6+/m0/s1",25.813779999999998,23.10432,
12643,[C:1]([N:2]1[C@@:3]2([H:11])[C@@:4]3([H:12])[C:5]([H:13])([H:14])[C@:6]1([H:15])[C@@:7]23[H:16])([H:8])([H:9])[H:10],[C:1]([C@:4]1([H:12])[C@:3]2([H:11])[N:2]3[C@:6]([H:15])([C:5]1([H:13])[H:14])[C@@:7]32[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-7-4-2-3-5(4)6(3)7/h3-6H,2H2,1H3/t3-,4+,5-,6-/m0/s1","InChI=1S/C6H9N/c1-3-2-4-6-5(3)7(4)6/h3-6H,2H2,1H3/t3-,4+,5-,6+,7?/m0/s1",76.5942,-28.335440000000002,
12644,[C:1]([N:2]1[C@@:3]2([H:11])[C@@:4]3([H:12])[C:5]([H:13])([H:14])[C@:6]1([H:15])[C@@:7]23[H:16])([H:8])([H:9])[H:10],[C-:1]([N+:2]1=[C:3]([H:11])[C@@:7]2([H:16])[C:4]([H:9])([H:12])[C:5]([H:13])([H:14])[C@@:6]12[H:15])([H:8])[H:10],"InChI=1S/C6H9N/c1-7-4-2-3-5(4)6(3)7/h3-6H,2H2,1H3/t3-,4+,5-,6-/m0/s1","InChI=1S/C6H9N/c1-7-4-5-2-3-6(5)7/h4-6H,1-3H2/t5-,6-/m1/s1",55.35094,5.05279,
12645,[C:1]([N:2]1[C@@:3]2([H:11])[C@@:4]3([H:12])[C:5]([H:13])([H:14])[C@:6]1([H:15])[C@@:7]23[H:16])([H:8])([H:9])[H:10],[C:1]([N+:2]1([H:11])[C-:3]2[C@@:4]3([H:12])[C:5]([H:13])([H:14])[C@:6]1([H:15])[C@@:7]23[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-7-4-2-3-5(4)6(3)7/h3-6H,2H2,1H3/t3-,4+,5-,6-/m0/s1","InChI=1S/C6H9N/c1-7-4-2-3-5(4)6(3)7/h3-5,7H,2H2,1H3/t3-,4+,5-/m0/s1",63.80741999999999,49.546170000000004,
12646,[C:1]([N:2]1[C@@:3]2([H:11])[C@@:4]3([H:12])[C:5]([H:13])([H:14])[C@:6]1([H:15])[C@@:7]23[H:16])([H:8])([H:9])[H:10],[C-:1]([N+:2]1=[C:3]2[C@@:4]3([H:12])[C:5]([H:13])([H:14])[C@:6]1([H:15])[C@@:7]23[H:16])([H:8])[H:10].[H:9][H:11],"InChI=1S/C6H9N/c1-7-4-2-3-5(4)6(3)7/h3-6H,2H2,1H3/t3-,4+,5-,6-/m0/s1","InChI=1S/C6H7N.H2/c1-7-4-2-3-5(4)6(3)7;/h3-5H,1-2H2;1H/t3-,4+,5-;/m0./s1",85.33035,72.00336,
12647,[C:1]([N:2]1[C@@:3]2([H:11])[C@@:4]3([H:12])[C:5]([H:13])([H:14])[C@:6]1([H:15])[C@@:7]23[H:16])([H:8])([H:9])[H:10],[C:1](/[N:2]=[C:6](\[C:5]([C:4]1([H:12])[C:3]([H:11])=[C:7]1[H:16])([H:13])[H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-7-4-2-3-5(4)6(3)7/h3-6H,2H2,1H3/t3-,4+,5-,6-/m0/s1","InChI=1S/C6H9N/c1-7-5-4-6-2-3-6/h2-3,5-6H,4H2,1H3/b7-5-",76.67707,-3.7789699999999997,
12648,[C:1]([N:2]1[C@@:3]2([H:11])[C@@:4]3([H:12])[C:5]([H:13])([H:14])[C@:6]1([H:15])[C@@:7]23[H:16])([H:8])([H:9])[H:10],[C:1]([N:2]1[C@:3]([C:4](=[C:5]([H:13])[H:14])[H:12])([H:11])[C:7]([H:16])=[C:6]1[H:15])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-7-4-2-3-5(4)6(3)7/h3-6H,2H2,1H3/t3-,4+,5-,6-/m0/s1","InChI=1S/C6H9N/c1-3-6-4-5-7(6)2/h3-6H,1H2,2H3/t6-/m0/s1",30.57987,-16.51163,
12649,[C:1]([N:2]1[C@@:3]2([H:11])[C@@:4]3([H:12])[C:5]([H:13])([H:14])[C@:6]1([H:15])[C@@:7]23[H:16])([H:8])([H:9])[H:10],[C:1]([N:2]1[C@@:3]2([H:11])[C@@:4]([C:7][H:16])([H:12])[C:5]([H:13])([H:14])[C@@:6]12[H:15])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-7-4-2-3-5(4)6(3)7/h3-6H,2H2,1H3/t3-,4+,5-,6-/m0/s1","InChI=1S/C6H9N/c1-4-3-5-6(4)7(5)2/h1,4-6H,3H2,2H3/t4-,5-,6+,7?/m1/s1",83.38813,69.09645,
12650,[C:1]([N:2]1[C@@:3]2([H:11])[C@@:4]3([H:12])[C:5]([H:13])([H:14])[C@:6]1([H:15])[C@@:7]23[H:16])([H:8])([H:9])[H:10],[C:1]([N:2]1[C@@:3]2([H:11])[C@:4]3([H:12])[C:5]([H:13])([H:14])[C@@:7]2([H:16])[C@:6]13[H:15])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-7-4-2-3-5(4)6(3)7/h3-6H,2H2,1H3/t3-,4+,5-,6-/m0/s1","InChI=1S/C6H9N/c1-7-5-3-2-4(5)6(3)7/h3-6H,2H2,1H3/t3-,4+,5-,6+",74.72118,17.82773,
12651,[C:1](#[C:2][c:3]1[c:4]([H:9])[o:5][n:6][c:7]1[H:10])[H:8],[C:1](#[C:2][C:3]([C:4](=[O:5])[H:9])=[C:7]=[N:6][H:10])[H:8],"InChI=1S/C5H3NO/c1-2-5-3-6-7-4-5/h1,3-4H","InChI=1S/C5H3NO/c1-2-5(3-6)4-7/h1,4,6H",48.73121,-7.64507,
12652,[C:1](#[C:2][c:3]1[c:4]([H:9])[o:5][n:6][c:7]1[H:10])[H:8],[C+:1]#[C:2][C:3]1=[C:7]([H:10])[N-:6][O:5][C:4]1([H:8])[H:9],"InChI=1S/C5H3NO/c1-2-5-3-6-7-4-5/h1,3-4H","InChI=1S/C5H3NO/c1-2-5-3-6-7-4-5/h3H,4H2",100.29678,62.47699,
12653,[C:1](#[C:2][c:3]1[c:4]([H:9])[o:5][n:6][c:7]1[H:10])[H:8],[C:1](#[C:2][C:3](=[C+:4][O:5][H:9])[C:7](=[N-:6])[H:10])[H:8],"InChI=1S/C5H3NO/c1-2-5-3-6-7-4-5/h1,3-4H","InChI=1S/C5H3NO/c1-2-5(3-6)4-7/h1,3,7H",85.78688000000001,57.89835,
12654,[C:1](#[C:2][c:3]1[c:4]([H:9])[o:5][n:6][c:7]1[H:10])[H:8],[C:1](#[C:2][C@:3]([C:4](=[O:5])[H:9])([C:7]#[N:6])[H:10])[H:8],"InChI=1S/C5H3NO/c1-2-5-3-6-7-4-5/h1,3-4H","InChI=1S/C5H3NO/c1-2-5(3-6)4-7/h1,4-5H/t5-/m0/s1",48.8122,-7.8761399999999995,
12655,[C:1](#[C:2][c:3]1[c:4]([H:9])[o:5][n:6][c:7]1[H:10])[H:8],[C:1](#[C:2][C@:3]1([C:4](=[O:5])[H:9])[N:6]=[C:7]1[H:10])[H:8],"InChI=1S/C5H3NO/c1-2-5-3-6-7-4-5/h1,3-4H","InChI=1S/C5H3NO/c1-2-5(4-7)3-6-5/h1,3-4H/t5-/m0/s1",42.7181,20.70678,ketoenol
12656,[C:1](#[C:2][c:3]1[c:4]([H:9])[o:5][n:6][c:7]1[H:10])[H:8],[C:1](#[C:2][C:4](=[C:3]=[C:7]([N:6]=[O:5])[H:10])[H:9])[H:8],"InChI=1S/C5H3NO/c1-2-5-3-6-7-4-5/h1,3-4H","InChI=1S/C5H3NO/c1-2-3-4-5-6-7/h1,3,5H",83.59541,58.64171999999999,
12657,[C:1](#[C:2][c:3]1[c:4]([H:9])[o:5][n:6][c:7]1[H:10])[H:8],[C:1](#[C:2][C:3]#[C:4][H:9])[H:8].[O-:5][N+:6]#[C:7][H:10],"InChI=1S/C5H3NO/c1-2-5-3-6-7-4-5/h1,3-4H",InChI=1S/C4H2.CHNO/c1-3-4-2;1-2-3/h1-2H;1H,77.66346999999999,69.36362,
12658,[C:1](#[C:2][c:3]1[c:4]([H:9])[o:5][n:6][c:7]1[H:10])[H:8],[C+:1]1([H:8])[C:2]2=[C:3]=[C:7]([H:10])[N-:6][O:5][C@:4]12[H:9],"InChI=1S/C5H3NO/c1-2-5-3-6-7-4-5/h1,3-4H","InChI=1S/C5H3NO/c1-2-6-7-5-3-4(1)5/h2-3,5H/t5-/m1/s1",86.83062,87.82515,
12659,[C:1](#[C:2][c:3]1[c:4]([H:9])[o:5][n:6][c:7]1[H:10])[H:8],[C:1](#[C:2][C:3](=[C:4]([O-:5])[H:9])[N+:6]#[C:7][H:10])[H:8],"InChI=1S/C5H3NO/c1-2-5-3-6-7-4-5/h1,3-4H","InChI=1S/C5H3NO/c1-3-5(4-7)6-2/h1-2,4H",54.92514,14.2998,
12660,[C:1](#[C:2][c:3]1[c:4]([H:9])[o:5][n:6][c:7]1[H:10])[H:8],[C+:1]#[C:2][C:3]1=[C:4]([H:9])[O:5][N-:6][C:7]1([H:8])[H:10],"InChI=1S/C5H3NO/c1-2-5-3-6-7-4-5/h1,3-4H","InChI=1S/C5H3NO/c1-2-5-3-6-7-4-5/h4H,3H2",117.06968,88.40513,
12661,[C:1](#[C:2][c:3]1[c:4]([H:9])[o:5][n:6][c:7]1[H:10])[H:8],[C:1]1([H:8])=[C:4]([H:9])[O:5][N:6]=[C:7]([H:10])[C:3]#[C:2]1,"InChI=1S/C5H3NO/c1-2-5-3-6-7-4-5/h1,3-4H",InChI=1S/C5H3NO/c1-2-4-6-7-5-3-1/h3-5H,86.83570999999999,52.055820000000004,
12662,[C:1](#[C:2][c:3]1[c:4]([H:9])[o:5][n:6][c:7]1[H:10])[H:8],[C:1]1([H:8])=[C:7]([H:10])[N:6]2[C:2]1=[C:3]=[C:4]([H:9])[O:5]2,"InChI=1S/C5H3NO/c1-2-5-3-6-7-4-5/h1,3-4H","InChI=1S/C5H3NO/c1-3-6-5(1)2-4-7-6/h1,3-4H",108.01351000000001,82.67967,
12663,[C:1](#[C:2][c:3]1[c:4]([H:9])[o:5][n:6][c:7]1[H:10])[H:8],[C:1]1([H:8])=[C:2]=[C:3]([C:4](=[O:5])[H:9])[C:7]([H:10])=[N:6]1,"InChI=1S/C5H3NO/c1-2-5-3-6-7-4-5/h1,3-4H",InChI=1S/C5H3NO/c7-4-5-1-2-6-3-5/h2-4H,126.38798,29.127570000000002,
12664,[C:1](#[C:2][c:3]1[c:4]([H:9])[o:5][n:6][c:7]1[H:10])[H:8],[C-:1](=[C:2]1[C+:3]=[C:4]([H:9])[O:5][N:6]=[C:7]1[H:10])[H:8],"InChI=1S/C5H3NO/c1-2-5-3-6-7-4-5/h1,3-4H","InChI=1S/C5H3NO/c1-5-2-3-7-6-4-5/h1,3-4H",96.40541,97.56147,
12665,[C:1](#[C:2][c:3]1[c:4]([H:9])[o:5][n:6][c:7]1[H:10])[H:8],[C:1]=[C:2]([c:3]1[c:4]([H:9])[o:5][n:6][c:7]1[H:10])[H:8],"InChI=1S/C5H3NO/c1-2-5-3-6-7-4-5/h1,3-4H",InChI=1S/C5H3NO/c1-2-5-3-6-7-4-5/h2-4H,46.76363,53.68552,Singlet_Carbene_Intra_Disproportionation
12666,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([C:6]#[N:7])([H:10])[C:5]1([H:11])[H:12],[O:1]=[C:2]([C:3]([C+:4]=[C:6]=[N-:7])([H:8])[H:9])[C:5]([H:10])([H:11])[H:12],"InChI=1S/C5H5NO/c6-3-4-1-5(7)2-4/h4H,1-2H2","InChI=1S/C5H5NO/c1-5(7)3-2-4-6/h3H2,1H3",65.42455,58.764019999999995,
12667,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([C:6]#[N:7])([H:10])[C:5]1([H:11])[H:12],[O:1]([C:2]12[C:3]([H:8])([H:9])[C:4]1([H:10])[C:5]2([H:11])[H:12])[C:6]#[N:7],"InChI=1S/C5H5NO/c6-3-4-1-5(7)2-4/h4H,1-2H2","InChI=1S/C5H5NO/c6-3-7-5-1-4(5)2-5/h4H,1-2H2",116.57306000000001,55.428340000000006,
12668,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([C:6]#[N:7])([H:10])[C:5]1([H:11])[H:12],[O:1]=[C:6]=[N:7][C:4]1([H:10])[C:3]([H:8])([H:9])[C:2][C:5]1([H:11])[H:12],"InChI=1S/C5H5NO/c6-3-4-1-5(7)2-4/h4H,1-2H2","InChI=1S/C5H5NO/c7-4-6-5-2-1-3-5/h5H,2-3H2",127.86155,78.34051,
12669,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([C:6]#[N:7])([H:10])[C:5]1([H:11])[H:12],[O:1]=[C:2]([C:3]([C:4](=[C:5]([H:11])[H:12])[H:10])([H:8])[H:9])[N+:7]#[C-:6],"InChI=1S/C5H5NO/c6-3-4-1-5(7)2-4/h4H,1-2H2","InChI=1S/C5H5NO/c1-3-4-5(7)6-2/h3H,1,4H2",83.17956,24.02751,
12670,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([C:6]#[N:7])([H:10])[C:5]1([H:11])[H:12],[O:1]1[C@:2](/[C:5](=[C:4](/[C:6]#[N:7])[H:10])[H:12])([H:11])[C:3]1([H:8])[H:9],"InChI=1S/C5H5NO/c6-3-4-1-5(7)2-4/h4H,1-2H2","InChI=1S/C5H5NO/c6-3-1-2-5-4-7-5/h1-2,5H,4H2/b2-1+/t5-/m0/s1",93.76222,25.256,
12671,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([C:6]#[N:7])([H:10])[C:5]1([H:11])[H:12],[O:1]([C:2]1=[C:5]([H:11])[C@@:4]([C:6]#[N:7])([H:10])[C:3]1([H:8])[H:9])[H:12],"InChI=1S/C5H5NO/c6-3-4-1-5(7)2-4/h4H,1-2H2","InChI=1S/C5H5NO/c6-3-4-1-5(7)2-4/h1,4,7H,2H2/t4-/m0/s1",76.65905,11.78397,ketoenol
12672,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([C:6]#[N:7])([H:10])[C:5]1([H:11])[H:12],[O:1]=[C:2]([C:5](/[C:4](=[C:3](\[C:6]#[N:7])[H:9])[H:10])([H:11])[H:12])[H:8],"InChI=1S/C5H5NO/c6-3-4-1-5(7)2-4/h4H,1-2H2","InChI=1S/C5H5NO/c6-4-2-1-3-5-7/h1-2,5H,3H2/b2-1-",97.18094,1.32133,
12673,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([C:6]#[N:7])([H:10])[C:5]1([H:11])[H:12],[O-:1][C:2](=[C+:3][H:9])[C:5]([C:4]([C:6]#[N:7])([H:8])[H:10])([H:11])[H:12],"InChI=1S/C5H5NO/c6-3-4-1-5(7)2-4/h4H,1-2H2","InChI=1S/C5H5NO/c1-5(7)3-2-4-6/h1H,2-3H2",69.41994,66.49294,
12674,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([C:6]#[N:7])([H:10])[C:5]1([H:11])[H:12],[O:1]=[C:2]=[C:5]([C@@:4]([C:3]([H:8])([H:9])[H:11])([C:6]#[N:7])[H:10])[H:12],"InChI=1S/C5H5NO/c6-3-4-1-5(7)2-4/h4H,1-2H2","InChI=1S/C5H5NO/c1-5(4-6)2-3-7/h2,5H,1H3/t5-/m1/s1",74.09411999999999,0.5160399999999999,
12675,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([C:6]#[N:7])([H:10])[C:5]1([H:11])[H:12],[C:3](=[C:4]([C:6]#[N:7])[H:10])([H:8])[H:9].[O:1]=[C:2]=[C:5]([H:11])[H:12],"InChI=1S/C5H5NO/c6-3-4-1-5(7)2-4/h4H,1-2H2","InChI=1S/C3H3N.C2H2O/c1-2-3-4;1-2-3/h2H,1H2;1H2",39.16287,17.90183,
12676,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([C:6]#[N:7])([H:10])[C:5]1([H:11])[H:12],[C:3](=[C:4]([C:5]([C:6]#[N:7])([H:11])[H:12])[H:10])([H:8])[H:9].[O+:1]#[C-:2],"InChI=1S/C5H5NO/c6-3-4-1-5(7)2-4/h4H,1-2H2","InChI=1S/C4H5N.CO/c1-2-3-4-5;1-2/h2H,1,3H2;",76.83967,3.1214,
12677,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([C:6]#[N:7])([H:10])[C:5]1([H:11])[H:12],[O:1]=[C:2]([C:5]([C:4](=[C:3]([H:8])[H:9])[H:10])([H:11])[H:12])[C:6]#[N:7],"InChI=1S/C5H5NO/c6-3-4-1-5(7)2-4/h4H,1-2H2","InChI=1S/C5H5NO/c1-2-3-5(7)4-6/h2H,1,3H2",76.02063000000001,6.03901,
12678,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([C:6]#[N:7])([H:10])[C:5]1([H:11])[H:12],[O:1]([C+:2]1[C:3]([H:8])([H:9])[C:4](=[C:6]=[N-:7])[C:5]1([H:11])[H:12])[H:10],"InChI=1S/C5H5NO/c6-3-4-1-5(7)2-4/h4H,1-2H2","InChI=1S/C5H5NO/c6-3-4-1-5(7)2-4/h7H,1-2H2",89.49163,66.96965,
12679,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([C:6]#[N:7])([H:10])[C:5]1([H:11])[H:12],[O-:1][N+:7]#[C:6][C:4]1([H:10])[C:3]([H:8])([H:9])[C:2][C:5]1([H:11])[H:12],"InChI=1S/C5H5NO/c6-3-4-1-5(7)2-4/h4H,1-2H2","InChI=1S/C5H5NO/c7-6-4-5-2-1-3-5/h5H,2-3H2",150.2295,134.18081999999998,
12680,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([C:6]#[N:7])([H:10])[C:5]1([H:11])[H:12],[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([N+:7]#[C-:6])([H:10])[C:5]1([H:11])[H:12],"InChI=1S/C5H5NO/c6-3-4-1-5(7)2-4/h4H,1-2H2","InChI=1S/C5H5NO/c1-6-4-2-5(7)3-4/h4H,2-3H2",61.38565,25.6326,
12681,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([C:6]#[N:7])([H:10])[C:5]1([H:11])[H:12],[O+:1](=[C:2]1[C:3]([H:8])([H:9])[C-:4]([H:10])[C:5]1([H:11])[H:12])[C:6]#[N:7],"InChI=1S/C5H5NO/c6-3-4-1-5(7)2-4/h4H,1-2H2","InChI=1S/C5H5NO/c6-4-7-5-2-1-3-5/h1H,2-3H2",116.57177,99.08461,
12682,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([C:6]#[N:7])([H:10])[C:5]1([H:11])[H:12],[O:1]1[C:2](=[C:3]([H:8])[H:9])[C:5]([H:11])([H:12])[C@@:4]1([C:6]#[N:7])[H:10],"InChI=1S/C5H5NO/c6-3-4-1-5(7)2-4/h4H,1-2H2","InChI=1S/C5H5NO/c1-4-2-5(3-6)7-4/h5H,1-2H2/t5-/m1/s1",54.235040000000005,20.624370000000003,ketoenol
12683,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([C:6]#[N:7])([H:10])[C:5]1([H:11])[H:12],[O:1]=[C:2]([C@@:5]1([H:12])[C:3]([H:8])([H:9])[C@:4]1([C:6]#[N:7])[H:10])[H:11],"InChI=1S/C5H5NO/c6-3-4-1-5(7)2-4/h4H,1-2H2","InChI=1S/C5H5NO/c6-2-4-1-5(4)3-7/h3-5H,1H2/t4-,5+/m0/s1",74.11086,7.0119,
12684,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([C:6]#[N:7])([H:10])[C:5]1([H:11])[H:12],[O:1]1[C@:2]23[C:3]([H:8])([H:9])[C@:4]2([C:5]3([H:11])[H:12])/[C:6]1=[N:7]\[H:10],"InChI=1S/C5H5NO/c6-3-4-1-5(7)2-4/h4H,1-2H2","InChI=1S/C5H5NO/c6-3-4-1-5(4,2-4)7-3/h6H,1-2H2/b6-3+/t4-,5-",127.7034,62.46982,
12685,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([C:6]#[N:7])([H:10])[C:5]1([H:11])[H:12],[C:3]([C:4](=[C:5]([H:11])[H:12])[H:10])([N+:7]#[C-:6])([H:8])[H:9].[O+:1]#[C-:2],"InChI=1S/C5H5NO/c6-3-4-1-5(7)2-4/h4H,1-2H2","InChI=1S/C4H5N.CO/c1-3-4-5-2;1-2/h3H,1,4H2;",102.6699,29.670370000000002,
12686,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([C:6]#[N:7])([H:10])[C:5]1([H:11])[H:12],[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4](=[C:6]=[N:7][H:10])[C:5]1([H:11])[H:12],"InChI=1S/C5H5NO/c6-3-4-1-5(7)2-4/h4H,1-2H2","InChI=1S/C5H5NO/c6-3-4-1-5(7)2-4/h6H,1-2H2",82.49271,19.35706,
12687,[O:1]=[C:2]([C:3]([C:4]#[C:5][H:10])([H:8])[H:9])[C:6]#[N:7],[O:1]([C:2](=[C:3]([H:8])[H:9])[C:6]#[N:7])[C:4]#[C:5][H:10],"InChI=1S/C5H3NO/c1-2-3-5(7)4-6/h1H,3H2","InChI=1S/C5H3NO/c1-3-7-5(2)4-6/h1H,2H2",73.70383000000001,23.5832,ketoenol
12688,[O:1]=[C:2]([C:3]([C:4]#[C:5][H:10])([H:8])[H:9])[C:6]#[N:7],[O:1]=[C:2]=[C:6]=[N:7][C:4]1=[C:5]([H:10])[C:3]1([H:8])[H:9],"InChI=1S/C5H3NO/c1-2-3-5(7)4-6/h1H,3H2","InChI=1S/C5H3NO/c7-4-3-6-5-1-2-5/h1H,2H2",64.53545,45.69339,
12689,[O:1]=[C:2]([C:3]([C:4]#[C:5][H:10])([H:8])[H:9])[C:6]#[N:7],[O:1]([C:2](=[C:3]([H:8])[H:9])[C:4]#[C:5][H:10])[C:6]#[N:7],"InChI=1S/C5H3NO/c1-2-3-5(7)4-6/h1H,3H2","InChI=1S/C5H3NO/c1-3-5(2)7-4-6/h1H,2H2",103.32642,19.342979999999997,
12690,[O:1]=[C:2]([C:3]([C:4]#[C:5][H:10])([H:8])[H:9])[C:6]#[N:7],[O:1](/[C:2](=[C:3](/[C:4]#[C:5][H:10])[H:9])[C:6]#[N:7])[H:8],"InChI=1S/C5H3NO/c1-2-3-5(7)4-6/h1H,3H2","InChI=1S/C5H3NO/c1-2-3-5(7)4-6/h1,3,7H/b5-3+",55.72221,-2.74532,ketoenol
12691,[O:1]=[C:2]([C:3]([C:4]#[C:5][H:10])([H:8])[H:9])[C:6]#[N:7],[O+:1]#[C:2][C:3]([C:4](=[C-:5][H:10])[N+:7]#[C-:6])([H:8])[H:9],"InChI=1S/C5H3NO/c1-2-3-5(7)4-6/h1H,3H2","InChI=1S/C5H3NO/c1-5(6-2)3-4-7/h1H,3H2",73.69135,65.9829,
12692,[O:1]=[C:2]([C:3]([C:4]#[C:5][H:10])([H:8])[H:9])[C:6]#[N:7],[O:1]=[C:2]([C:5](=[C:4]=[C:3]([H:8])[H:9])[H:10])[C:6]#[N:7],"InChI=1S/C5H3NO/c1-2-3-5(7)4-6/h1H,3H2","InChI=1S/C5H3NO/c1-2-3-5(7)4-6/h3H,1H2",50.03423,-11.25548,
12693,[O:1]=[C:2]([C:3]([C:4]#[C:5][H:10])([H:8])[H:9])[C:6]#[N:7],[O:1]=[C:4]1[C:3]([H:8])([H:9])[C:2]([C:6]#[N:7])=[C:5]1[H:10],"InChI=1S/C5H3NO/c1-2-3-5(7)4-6/h1H,3H2","InChI=1S/C5H3NO/c6-3-4-1-5(7)2-4/h1H,2H2",108.98953999999999,-21.27432,
12694,[O:1]=[C:2]([C:3]([C:4]#[C:5][H:10])([H:8])[H:9])[C:6]#[N:7],[O+:1]#[C:2][C:3]([C:4](=[C-:5][H:10])[C:6]#[N:7])([H:8])[H:9],"InChI=1S/C5H3NO/c1-2-3-5(7)4-6/h1H,3H2","InChI=1S/C5H3NO/c1-5(4-6)2-3-7/h1H,2H2",55.506280000000004,38.96864,
12695,[O:1]=[C:2]([C:3]([C:4]#[C:5][H:10])([H:8])[H:9])[C:6]#[N:7],[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4](=[C:5])/[C:6]1=[N:7]\[H:10],"InChI=1S/C5H3NO/c1-2-3-5(7)4-6/h1H,3H2","InChI=1S/C5H3NO/c1-3-2-4(7)5(3)6/h6H,2H2/b6-5+",77.2226,56.04126,
12696,[O:1]=[C:2]([C:3]([C:4]#[C:5][H:10])([H:8])[H:9])[C:6]#[N:7],[O:1]1[C@:2]([C:4]#[C:5][H:10])([C:6]#[N:7])[C:3]1([H:8])[H:9],"InChI=1S/C5H3NO/c1-2-3-5(7)4-6/h1H,3H2","InChI=1S/C5H3NO/c1-2-5(3-6)4-7-5/h1H,4H2/t5-/m1/s1",87.25428000000001,24.7141,
12697,[O:1]=[C:2]([C:3]([C:4]#[C:5][H:10])([H:8])[H:9])[C:6]#[N:7],[C:3](=[C:4]=[C:5]([C:6]#[N:7])[H:10])([H:8])[H:9].[O+:1]#[C-:2],"InChI=1S/C5H3NO/c1-2-3-5(7)4-6/h1H,3H2","InChI=1S/C4H3N.CO/c1-2-3-4-5;1-2/h3H,1H2;",27.10466,-11.97846,
12698,[O:1]=[C:2]([C:3]([C:4]#[C:5][H:10])([H:8])[H:9])[C:6]#[N:7],[O:1]([C@:2]1([C:6]#[N:7])[C:3]([H:8])([H:9])[C:4]1=[C:5])[H:10],"InChI=1S/C5H3NO/c1-2-3-5(7)4-6/h1H,3H2","InChI=1S/C5H3NO/c1-4-2-5(4,7)3-6/h7H,2H2/t5-/m0/s1",82.91083,62.19118,
12699,[O:1]=[C:2]([C:3]([C:4]#[C:5][H:10])([H:8])[H:9])[C:6]#[N:7],[O:1]=[C:2](/[C:3](=[C:4](/[C:5][H:10])[H:8])[H:9])[C:6]#[N:7],"InChI=1S/C5H3NO/c1-2-3-5(7)4-6/h1H,3H2",InChI=1S/C5H3NO/c1-2-3-5(7)4-6/h1-3H/b3-2+,54.001219999999996,51.64265,
12700,[O:1]=[C:2]([C:3]([C:4]#[C:5][H:10])([H:8])[H:9])[C:6]#[N:7],[O:1]=[C:2]([C:3]([C:4]#[C:5][H:10])([H:8])[H:9])[N+:7]#[C-:6],"InChI=1S/C5H3NO/c1-2-3-5(7)4-6/h1H,3H2","InChI=1S/C5H3NO/c1-3-4-5(7)6-2/h1H,4H2",41.94137,17.40895,
12701,[O:1]=[C:2]([C:3]([C:4]#[C:5][H:10])([H:8])[H:9])[C:6]#[N:7],[C:3]1([H:8])([H:9])[C:4]([N+:7]#[C-:6])=[C:5]1[H:10].[O+:1]#[C-:2],"InChI=1S/C5H3NO/c1-2-3-5(7)4-6/h1H,3H2","InChI=1S/C4H3N.CO/c1-5-4-2-3-4;1-2/h2H,3H2;",64.50341,35.89127,
12702,[O:1]=[C:2]([C:3]([C:4]#[C:5][H:10])([H:8])[H:9])[C:6]#[N:7],[O:1]=[C:4]=[C:5]([C:3]([C+:2]=[C:6]=[N-:7])([H:8])[H:9])[H:10],"InChI=1S/C5H3NO/c1-2-3-5(7)4-6/h1H,3H2","InChI=1S/C5H3NO/c6-4-2-1-3-5-7/h3H,1H2",97.53237,42.3894,
12703,[O:1]=[C:2]([C:3]([C:4]#[C:5][H:10])([H:8])[H:9])[C:6]#[N:7],[O:1]=[C:2]([C:3]([C:5](=[C:4])[H:10])([H:8])[H:9])[C:6]#[N:7],"InChI=1S/C5H3NO/c1-2-3-5(7)4-6/h1H,3H2","InChI=1S/C5H3NO/c1-2-3-5(7)4-6/h2H,3H2",61.83559,52.31856,Singlet_Carbene_Intra_Disproportionation
12704,[O:1]=[C:2]([C:3]([C:4]#[C:5][H:10])([H:8])[H:9])[C:6]#[N:7],[O:1]=[C:2]=[C:6]=[N:7][C:3]([C:4]#[C:5][H:10])([H:8])[H:9],"InChI=1S/C5H3NO/c1-2-3-5(7)4-6/h1H,3H2","InChI=1S/C5H3NO/c1-2-3-6-4-5-7/h1H,3H2",70.21199,38.6144,
12705,[O:1]=[C:2]([C:3]([C:4]#[C:5][H:10])([H:8])[H:9])[C:6]#[N:7],[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]2=[C:5]([H:10])[N:7]=[C:6]12,"InChI=1S/C5H3NO/c1-2-3-5(7)4-6/h1H,3H2","InChI=1S/C5H3NO/c7-4-1-3-2-6-5(3)4/h2H,1H2",92.67838,70.45215999999999,
12706,[O:1]=[C:2]([C:3]([C:4]#[C:5][H:10])([H:8])[H:9])[C:6]#[N:7],[O:1]=[C:5]([C:4]1=[C:2]([C:6]#[N:7])[C:3]1([H:8])[H:9])[H:10],"InChI=1S/C5H3NO/c1-2-3-5(7)4-6/h1H,3H2","InChI=1S/C5H3NO/c6-2-4-1-5(4)3-7/h3H,1H2",78.89915,6.76473,
12707,[O:1]=[C:2]([C:3]([C:4]#[C:5][H:10])([H:8])[H:9])[C:6]#[N:7],[O:1]=[C:2]([C:3](=[C:4]=[C:5]([C:6]#[N:7])[H:10])[H:9])[H:8],"InChI=1S/C5H3NO/c1-2-3-5(7)4-6/h1H,3H2","InChI=1S/C5H3NO/c6-4-2-1-3-5-7/h2-3,5H",80.71382,-13.284270000000001,
12708,[O:1]=[C:2]([C:3]([C:4]#[C:5][H:10])([H:8])[H:9])[C:6]#[N:7],[O+:1](=[C-:2][C:3]([C:4]#[C:5][H:10])([H:8])[H:9])[C:6]#[N:7],"InChI=1S/C5H3NO/c1-2-3-5(7)4-6/h1H,3H2","InChI=1S/C5H3NO/c1-2-3-4-7-5-6/h1H,3H2",94.60585999999999,79.58610999999999,
12709,[C:1]([N:2]([C:3](=[O:4])[H:11])[C:5](=[O:6])[C:7]([H:12])([H:13])[H:14])([H:8])([H:9])[H:10],[C:1]([N:2]=[C:3]=[O:4])([H:8])([H:9])[H:10].[C:5](=[O:6])([C:7]([H:12])([H:13])[H:14])[H:11],"InChI=1S/C4H7NO2/c1-4(7)5(2)3-6/h3H,1-2H3","InChI=1S/C2H3NO.C2H4O/c1-3-2-4;1-2-3/h1H3;2H,1H3",57.63975,20.742729999999998,
12710,[C:1]([N:2]([C:3](=[O:4])[H:11])[C:5](=[O:6])[C:7]([H:12])([H:13])[H:14])([H:8])([H:9])[H:10],[C:1](/[N:2]=[C:3](/[O:4][C:5](=[O:6])[C:7]([H:12])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-4(7)5(2)3-6/h3H,1-2H3","InChI=1S/C4H7NO2/c1-4(6)7-3-5-2/h3H,1-2H3/b5-3+",34.32179,18.01445,ketoenol
12711,[C:1]([N:2]([C:3](=[O:4])[H:11])[C:5](=[O:6])[C:7]([H:12])([H:13])[H:14])([H:8])([H:9])[H:10],[C:1]([N:2]([C:3](=[O:4])[H:11])[C:5]([O:6][H:13])=[C:7]([H:12])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-4(7)5(2)3-6/h3H,1-2H3","InChI=1S/C4H7NO2/c1-4(7)5(2)3-6/h3,7H,1H2,2H3",61.695269999999994,18.60722,ketoenol
12712,[C:1]([N:2]([C:3](=[O:4])[H:11])[C:5](=[O:6])[C:7]([H:12])([H:13])[H:14])([H:8])([H:9])[H:10],[C:1]([N:2]([C:3](=[O:4])[H:11])[H:13])([H:8])([H:9])[H:10].[C:5](=[O:6])=[C:7]([H:12])[H:14],"InChI=1S/C4H7NO2/c1-4(7)5(2)3-6/h3H,1-2H3","InChI=1S/C2H5NO.C2H2O/c1-3-2-4;1-2-3/h2H,1H3,(H,3,4);1H2",67.01052,30.165540000000004,
12713,[C:1]([N:2]([C:3](=[O:4])[H:11])[C:5](=[O:6])[C:7]([H:12])([H:13])[H:14])([H:8])([H:9])[H:10],[C:1]([O:6]/[C:5](=[N:2]/[C:3](=[O:4])[H:11])[C:7]([H:12])([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-4(7)5(2)3-6/h3H,1-2H3","InChI=1S/C4H7NO2/c1-4(7-2)5-3-6/h3H,1-2H3/b5-4+",61.226319999999994,17.88734,ketoenol
12714,[C:1]([N:2]([C:3](=[O:4])[H:11])[C:5](=[O:6])[C:7]([H:12])([H:13])[H:14])([H:8])([H:9])[H:10],[C:1]([O:4]/[C:3](=[N:2]/[C:5](=[O:6])[C:7]([H:12])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-4(7)5(2)3-6/h3H,1-2H3","InChI=1S/C4H7NO2/c1-4(6)5-3-7-2/h3H,1-2H3/b5-3+",62.0603,17.20213,ketoenol
12715,[C:1]([N:2]([C:3](=[O:4])[H:11])[C:5](=[O:6])[C:7]([H:12])([H:13])[H:14])([H:8])([H:9])[H:10],[C:1](/[N:2]=[C:3](/[O:4][C:7]([C:5](=[O:6])[H:12])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-4(7)5(2)3-6/h3H,1-2H3","InChI=1S/C4H7NO2/c1-5-4-7-3-2-6/h2,4H,3H2,1H3/b5-4+",96.21633,35.22079,
12716,[C:1]([N:2]([C:3](=[O:4])[H:11])[C:5](=[O:6])[C:7]([H:12])([H:13])[H:14])([H:8])([H:9])[H:10],[C:1](=[N:2][C:5](=[O:6])[C:7]([H:12])([H:13])[H:14])([H:9])[H:10].[C:3](=[O:4])([H:8])[H:11],"InChI=1S/C4H7NO2/c1-4(7)5(2)3-6/h3H,1-2H3","InChI=1S/C3H5NO.CH2O/c1-3(5)4-2;1-2/h2H2,1H3;1H2",85.23437,44.10431,
12717,[C:1]([N:2]([C:3](=[O:4])[H:11])[C:5](=[O:6])[C:7]([H:12])([H:13])[H:14])([H:8])([H:9])[H:10],[C:1](/[N:2]=[C:5](/[O:6][C:3](=[O:4])[H:11])[C:7]([H:12])([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-4(7)5(2)3-6/h3H,1-2H3","InChI=1S/C4H7NO2/c1-4(5-2)7-3-6/h3H,1-2H3/b5-4+",35.08874,17.88954,ketoenol
12718,[C:1]([N:2]([C:3](=[O:4])[H:11])[C:5](=[O:6])[C:7]([H:12])([H:13])[H:14])([H:8])([H:9])[H:10],[C-:3]#[O+:4].[C:1](/[N:2]=[C:5](/[O:6][H:11])[C:7]([H:12])([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-4(7)5(2)3-6/h3H,1-2H3","InChI=1S/C3H7NO.CO/c1-3(5)4-2;1-2/h1-2H3,(H,4,5);",38.463840000000005,17.76381,
12719,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[O:4][C:5]([H:12])=[N:6][C:7]1([H:13])[H:14])[H:8],[O:1]([C:2](=[C:3]([H:10])[H:11])[H:9])[H:8].[O:4]=[C:5]([N:6]=[C:7]([H:13])[H:14])[H:12],"InChI=1S/C4H7NO2/c6-4-1-5-3-7-2-4/h3-4,6H,1-2H2/t4-/m1/s1","InChI=1S/C2H3NO.C2H4O/c1-3-2-4;1-2-3/h2H,1H2;2-3H,1H2",37.296479999999995,22.93137,
12720,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[O:4][C:5]([H:12])=[N:6][C:7]1([H:13])[H:14])[H:8],[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[O+:4]=[C-:5][N:6]([H:12])[C:7]1([H:13])[H:14])[H:8],"InChI=1S/C4H7NO2/c6-4-1-5-3-7-2-4/h3-4,6H,1-2H2/t4-/m1/s1","InChI=1S/C4H7NO2/c6-4-1-5-3-7-2-4/h4-6H,1-2H2/t4-/m1/s1",70.65685,31.904020000000003,
12721,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[O:4][C:5]([H:12])=[N:6][C:7]1([H:13])[H:14])[H:8],[C:2]1([H:9])=[C:7]([H:13])[N:6]=[C:5]([H:12])[O:4][C:3]1([H:10])[H:11].[O:1]([H:8])[H:14],"InChI=1S/C4H7NO2/c6-4-1-5-3-7-2-4/h3-4,6H,1-2H2/t4-/m1/s1","InChI=1S/C4H5NO.H2O/c1-2-5-4-6-3-1;/h1-2,4H,3H2;1H2",58.18495,10.72332,"1,3_Insertion_ROR"
12722,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[O:4][C:5]([H:12])=[N:6][C:7]1([H:13])[H:14])[H:8],[O:1]([C:2][C:3]([O:4]/[C:5](=[N:6]\[C:7]([H:9])([H:13])[H:14])[H:12])([H:10])[H:11])[H:8],"InChI=1S/C4H7NO2/c6-4-1-5-3-7-2-4/h3-4,6H,1-2H2/t4-/m1/s1","InChI=1S/C4H7NO2/c1-5-4-7-3-2-6/h4,6H,3H2,1H3/b5-4-",65.49636,66.23487,
12723,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[O:4][C:5]([H:12])=[N:6][C:7]1([H:13])[H:14])[H:8],[O:1]([C:2][C:7](/[N:6]=[C:5](\[O:4][C:3]([H:9])([H:10])[H:11])[H:12])([H:13])[H:14])[H:8],"InChI=1S/C4H7NO2/c6-4-1-5-3-7-2-4/h3-4,6H,1-2H2/t4-/m1/s1","InChI=1S/C4H7NO2/c1-7-4-5-2-3-6/h4,6H,2H2,1H3/b5-4-",106.26427,71.754,
12724,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[O:4][C:5]([H:12])=[N:6][C:7]1([H:13])[H:14])[H:8],[O:1]([C@@:2]1([H:9])[C-:3]([H:10])[O+:4]=[C:5]([H:12])[N:6]([H:11])[C:7]1([H:13])[H:14])[H:8],"InChI=1S/C4H7NO2/c6-4-1-5-3-7-2-4/h3-4,6H,1-2H2/t4-/m1/s1","InChI=1S/C4H7NO2/c6-4-1-5-3-7-2-4/h2-6H,1H2/t4-/m1/s1",64.98478,49.26815,
12725,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[O:4][C:5]([H:12])=[N:6][C:7]1([H:13])[H:14])[H:8],[O:1]([C:2]([C:3]([O:4][C:5](=[N+:6]=[C-:7][H:14])[H:12])([H:10])[H:11])([H:9])[H:13])[H:8],"InChI=1S/C4H7NO2/c6-4-1-5-3-7-2-4/h3-4,6H,1-2H2/t4-/m1/s1","InChI=1S/C4H7NO2/c1-5-4-7-3-2-6/h1,4,6H,2-3H2",70.55259000000001,54.4276,
12726,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[O:4][C:5]([H:12])=[N:6][C:7]1([H:13])[H:14])[H:8],[O:1]=[C:2]([C:3]([O:4][C:5]([N:6]=[C:7]([H:13])[H:14])([H:8])[H:12])([H:10])[H:11])[H:9],"InChI=1S/C4H7NO2/c6-4-1-5-3-7-2-4/h3-4,6H,1-2H2/t4-/m1/s1","InChI=1S/C4H7NO2/c1-5-4-7-3-2-6/h2H,1,3-4H2",52.89914,23.33205,
12727,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[O:4][C:5]([H:12])=[N:6][C:7]1([H:13])[H:14])[H:8],[O:1]1[C@@:2]([C:7](/[N:6]=[C:5](\[O:4][H:8])[H:12])([H:13])[H:14])([H:9])[C:3]1([H:10])[H:11],"InChI=1S/C4H7NO2/c6-4-1-5-3-7-2-4/h3-4,6H,1-2H2/t4-/m1/s1","InChI=1S/C4H7NO2/c6-3-5-1-4-2-7-4/h3-4H,1-2H2,(H,5,6)/t4-/m1/s1",56.500069999999994,15.98456,
12728,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[O:4][C:5]([H:12])=[N:6][C:7]1([H:13])[H:14])[H:8],[O:1]([C@@:2]([C:3](=[O:4])[H:11])([C:7]([N:6]=[C:5]([H:10])[H:12])([H:13])[H:14])[H:9])[H:8],"InChI=1S/C4H7NO2/c6-4-1-5-3-7-2-4/h3-4,6H,1-2H2/t4-/m1/s1","InChI=1S/C4H7NO2/c1-5-2-4(7)3-6/h3-4,7H,1-2H2/t4-/m1/s1",72.79633000000001,12.55475,
12729,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[O:4][C:5]([H:12])=[N:6][C:7]1([H:13])[H:14])[H:8],[O:1]([C:2]1([H:9])[C:3]([H:10])([H:11])[N:6]([C:5](=[O:4])[H:12])[C:7]1([H:13])[H:14])[H:8],"InChI=1S/C4H7NO2/c6-4-1-5-3-7-2-4/h3-4,6H,1-2H2/t4-/m1/s1","InChI=1S/C4H7NO2/c6-3-5-1-4(7)2-5/h3-4,7H,1-2H2",62.125040000000006,6.3581900000000005,ketoenol
12730,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[O:4][C:5]([H:12])=[N:6][C:7]1([H:13])[H:14])[H:8],[H:12][H:14].[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[O:4][C-:5]=[N+:6]=[C:7]1[H:13])[H:8],"InChI=1S/C4H7NO2/c6-4-1-5-3-7-2-4/h3-4,6H,1-2H2/t4-/m1/s1","InChI=1S/C4H5NO2.H2/c6-4-1-5-3-7-2-4;/h1,4,6H,2H2;1H/t4-;/m1./s1",94.3872,77.42159000000001,
12731,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[O:4][C:5]([H:12])=[N:6][C:7]1([H:13])[H:14])[H:8],[O:1](/[C:5](=[N:6]\[C:7]([C:2]([C:3](=[O:4])[H:11])([H:9])[H:10])([H:13])[H:14])[H:12])[H:8],"InChI=1S/C4H7NO2/c6-4-1-5-3-7-2-4/h3-4,6H,1-2H2/t4-/m1/s1","InChI=1S/C4H7NO2/c6-3-1-2-5-4-7/h3-4H,1-2H2,(H,5,7)",82.75936,4.00347,
12732,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[O:4][C:5]([H:12])=[N:6][C:7]1([H:13])[H:14])[H:8],[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[O+:4]=[C:5]([H:12])[N:6]([H:14])[C-:7]1[H:13])[H:8],"InChI=1S/C4H7NO2/c6-4-1-5-3-7-2-4/h3-4,6H,1-2H2/t4-/m1/s1","InChI=1S/C4H7NO2/c6-4-1-5-3-7-2-4/h1,3-6H,2H2/t4-/m1/s1",68.63028,39.669959999999996,
12733,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[O:4][C:5]([H:12])=[N:6][C:7]1([H:13])[H:14])[H:8],[O:1]([C@@:2]([C:3]([O:4][H:14])([H:10])[H:11])([C:7](=[N+:6]=[C-:5][H:12])[H:13])[H:9])[H:8],"InChI=1S/C4H7NO2/c6-4-1-5-3-7-2-4/h3-4,6H,1-2H2/t4-/m1/s1","InChI=1S/C4H7NO2/c1-5-2-4(7)3-6/h1-2,4,6-7H,3H2/t4-/m1/s1",77.16265,44.803340000000006,
12734,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[O:4][C:5]([H:12])=[N:6][C:7]1([H:13])[H:14])[H:8],[C:5](#[N:6])[H:12].[O:1]([C@@:2]1([C:7]([H:9])([H:13])[H:14])[C:3]([H:10])([H:11])[O:4]1)[H:8],"InChI=1S/C4H7NO2/c6-4-1-5-3-7-2-4/h3-4,6H,1-2H2/t4-/m1/s1","InChI=1S/C3H6O2.CHN/c1-3(4)2-5-3;1-2/h4H,2H2,1H3;1H/t3-;/m1./s1",92.48147,28.50603,
12735,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[O:4][C:5]([H:12])=[N:6][C:7]1([H:13])[H:14])[H:8],[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[O:4][C:5]([H:12])([H:14])[N:6]=[C:7]1[H:13])[H:8],"InChI=1S/C4H7NO2/c6-4-1-5-3-7-2-4/h3-4,6H,1-2H2/t4-/m1/s1","InChI=1S/C4H7NO2/c6-4-1-5-3-7-2-4/h1,4,6H,2-3H2/t4-/m1/s1",86.52776,9.06485,
12736,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[O:4][C:5]([H:12])=[N:6][C:7]1([H:13])[H:14])[H:8],[C:2]1([H:9])=[C:3]([H:10])[O:4][C:5]([H:12])=[N:6][C:7]1([H:13])[H:14].[O:1]([H:8])[H:11],"InChI=1S/C4H7NO2/c6-4-1-5-3-7-2-4/h3-4,6H,1-2H2/t4-/m1/s1","InChI=1S/C4H5NO.H2O/c1-2-5-4-6-3-1;/h1,3-4H,2H2;1H2",62.08472,10.341289999999999,"1,3_Insertion_ROR"
12737,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[O:4][C:5]([H:12])=[N:6][C:7]1([H:13])[H:14])[H:8],[O:1]1[C@:2]([C:3]([O:4]/[C:5](=[N:6]\[H:8])[H:12])([H:10])[H:11])([H:9])[C:7]1([H:13])[H:14],"InChI=1S/C4H7NO2/c6-4-1-5-3-7-2-4/h3-4,6H,1-2H2/t4-/m1/s1","InChI=1S/C4H7NO2/c5-3-6-1-4-2-7-4/h3-5H,1-2H2/b5-3-/t4-/m0/s1",75.67172,26.641040000000004,
12738,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[O:4][C:5]([H:12])=[N:6][C:7]1([H:13])[H:14])[H:8],[O:1]([C:2]([C:7](/[N:6]=[C:5](\[O+:4]=[C-:3][H:10])[H:12])([H:13])[H:14])([H:9])[H:11])[H:8],"InChI=1S/C4H7NO2/c6-4-1-5-3-7-2-4/h3-4,6H,1-2H2/t4-/m1/s1","InChI=1S/C4H7NO2/c1-7-4-5-2-3-6/h1,4,6H,2-3H2/b5-4-",79.18541,76.95185,
12739,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[O:4][C:5]([H:12])=[N:6][C:7]1([H:13])[H:14])[H:8],[O:1]1[C@:2]([C:3]([O:4][H:8])([H:10])[H:11])([H:9])[C:7]([H:13])([H:14])[N:6]=[C:5]1[H:12],"InChI=1S/C4H7NO2/c6-4-1-5-3-7-2-4/h3-4,6H,1-2H2/t4-/m1/s1","InChI=1S/C4H7NO2/c6-2-4-1-5-3-7-4/h3-4,6H,1-2H2/t4-/m1/s1",55.23115,-0.38816,
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12743,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[O:4][C:5]([H:12])=[N:6][C:7]1([H:13])[H:14])[H:8],[O:1]([C@:5]1([H:12])[O:4][C:3]([H:10])([H:11])[C@:2]2([H:9])[N:6]1[C:7]2([H:13])[H:14])[H:8],"InChI=1S/C4H7NO2/c6-4-1-5-3-7-2-4/h3-4,6H,1-2H2/t4-/m1/s1","InChI=1S/C4H7NO2/c6-4-5-1-3(5)2-7-4/h3-4,6H,1-2H2/t3-,4-,5?/m1/s1",77.92535,18.74138,
12744,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[O:4][C:5]([H:12])=[N:6][C:7]1([H:13])[H:14])[H:8],[H:8][H:9].[O:1]=[C:2]1[C:3]([H:10])([H:11])[O:4][C:5]([H:12])=[N:6][C:7]1([H:13])[H:14],"InChI=1S/C4H7NO2/c6-4-1-5-3-7-2-4/h3-4,6H,1-2H2/t4-/m1/s1","InChI=1S/C4H5NO2.H2/c6-4-1-5-3-7-2-4;/h3H,1-2H2;1H",83.54753000000001,18.54543,
12745,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[O:4][C:5]([H:12])=[N:6][C:7]1([H:13])[H:14])[H:8],[O:1]([C@@:2]1([C:3]([H:9])([H:10])[H:11])[N:6]([C:5](=[O:4])[H:12])[C:7]1([H:13])[H:14])[H:8],"InChI=1S/C4H7NO2/c6-4-1-5-3-7-2-4/h3-4,6H,1-2H2/t4-/m1/s1","InChI=1S/C4H7NO2/c1-4(7)2-5(4)3-6/h3,7H,2H2,1H3/t4-,5?/m1/s1",59.94104,7.4790399999999995,
12746,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[O:4][C:5]([H:12])=[N:6][C:7]1([H:13])[H:14])[H:8],[O:1](/[C:2](=[C:7](\[N:6]=[C:5](/[O:4][C:3]([H:10])([H:11])[H:13])[H:12])[H:14])[H:9])[H:8],"InChI=1S/C4H7NO2/c6-4-1-5-3-7-2-4/h3-4,6H,1-2H2/t4-/m1/s1","InChI=1S/C4H7NO2/c1-7-4-5-2-3-6/h2-4,6H,1H3/b3-2-,5-4-",96.25759000000001,12.22504,
12747,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[O:4][C:5]([H:12])=[N:6][C:7]1([H:13])[H:14])[H:8],[H:13][H:14].[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[O:4][C:5]([H:12])=[N+:6]=[C-:7]1)[H:8],"InChI=1S/C4H7NO2/c6-4-1-5-3-7-2-4/h3-4,6H,1-2H2/t4-/m1/s1","InChI=1S/C4H5NO2.H2/c6-4-1-5-3-7-2-4;/h3-4,6H,2H2;1H/t4-;/m1./s1",81.53911,82.12234000000001,
12748,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[O:4][C:5]([H:12])=[N:6][C:7]1([H:13])[H:14])[H:8],[H:8][H:11].[O:1]=[C:2]([C@@:3]1([H:10])[O:4][C:5]([H:12])=[N:6][C:7]1([H:13])[H:14])[H:9],"InChI=1S/C4H7NO2/c6-4-1-5-3-7-2-4/h3-4,6H,1-2H2/t4-/m1/s1","InChI=1S/C4H5NO2.H2/c6-2-4-1-5-3-7-4;/h2-4H,1H2;1H/t4-;/m0./s1",79.55428,23.27507,
12749,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[O:4][C:5]([H:12])=[N:6][C:7]1([H:13])[H:14])[H:8],[C:3]([H:10])[H:11].[O:1]([C@@:2]1([H:9])[O:4][C:5]([H:12])=[N:6][C:7]1([H:13])[H:14])[H:8],"InChI=1S/C4H7NO2/c6-4-1-5-3-7-2-4/h3-4,6H,1-2H2/t4-/m1/s1","InChI=1S/C3H5NO2.CH2/c5-3-1-4-2-6-3;/h2-3,5H,1H2;1H2/t3-;/m0./s1",104.29521,111.87275,
12750,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[O:4][C:5]([H:12])=[N:6][C:7]1([H:13])[H:14])[H:8],[O:1]([C:2]([C:7](=[N:6][C:5](=[O+:4][C-:3]([H:10])[H:11])[H:12])[H:13])([H:9])[H:14])[H:8],"InChI=1S/C4H7NO2/c6-4-1-5-3-7-2-4/h3-4,6H,1-2H2/t4-/m1/s1","InChI=1S/C4H7NO2/c1-7-4-5-2-3-6/h2,4,6H,1,3H2",97.96444,61.92654,
12751,[C:1]([C:2]([O:3][C@@:4]1([H:13])[C:5]([H:14])([H:15])[C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([H:11])([H:12])[H:14])([H:8])([H:9])[H:10].[O:3]=[C:4](/[C:5](=[C:6](\[C:7]([H:17])([H:18])[H:19])[H:16])[H:15])[H:13],"InChI=1S/C6H12O/c1-3-7-6-4-5(6)2/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C4H6O.C2H6/c1-2-3-4-5;1-2/h2-4H,1H3;1-2H3/b3-2-;",59.93388,-10.69389,
12752,[C:1]([C:2]([O:3][C@@:4]1([H:13])[C:5]([H:14])([H:15])[C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([O:3][C:5]([C@:6]([C:4][H:13])([C:7]([H:17])([H:18])[H:19])[H:16])([H:14])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-3-7-6-4-5(6)2/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C6H12O/c1-4-7-5-6(2)3/h2,6H,4-5H2,1,3H3/t6-/m1/s1",83.29106999999999,78.82244,
12753,[C:1]([C:2]([O:3][C@@:4]1([H:13])[C:5]([H:14])([H:15])[C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([O:3][C@@:4]([C:5]([H:14])([H:15])[H:16])([C:6][C:7]([H:17])([H:18])[H:19])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-3-7-6-4-5(6)2/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C6H12O/c1-4-6(3)7-5-2/h6H,5H2,1-3H3/t6-/m0/s1",66.13065999999999,64.65858,
12754,[C:1]([C:2]([O:3][C@@:4]1([H:13])[C:5]([H:14])([H:15])[C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:4](=[O:3])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10].[C:5](=[C:6]([C:7]([H:17])([H:18])[H:19])[H:16])([H:14])[H:15],"InChI=1S/C6H12O/c1-3-7-6-4-5(6)2/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C3H6O.C3H6/c1-2-3-4;1-3-2/h3H,2H2,1H3;3H,1H2,2H3",85.52256,-6.3045800000000005,
12755,[C:1]([C:2]([O:3][C@@:4]1([H:13])[C:5]([H:14])([H:15])[C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](=[C:2]([H:11])[H:12])([H:9])[H:10].[O:3]=[C:4]([C:5]([C:6]([C:7]([H:17])([H:18])[H:19])([H:8])[H:16])([H:14])[H:15])[H:13],"InChI=1S/C6H12O/c1-3-7-6-4-5(6)2/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C4H8O.C2H4/c1-2-3-4-5;1-2/h4H,2-3H2,1H3;1-2H2",45.32318,-1.56523,
12756,[C:1]([C:2]([O:3][C@@:4]1([H:13])[C:5]([H:14])([H:15])[C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([O:3][H:19])([H:11])[H:12])([H:8])([H:9])[H:10].[C@@:4]12([H:13])[C:5]([H:14])([H:15])[C@:6]1([H:16])[C:7]2([H:17])[H:18],"InChI=1S/C6H12O/c1-3-7-6-4-5(6)2/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C4H6.C2H6O/c1-3-2-4(1)3;1-2-3/h3-4H,1-2H2;3H,2H2,1H3/t3-,4+;",93.99404,31.79247,
12757,[C:1]([C:2]([O:3][C@@:4]1([H:13])[C:5]([H:14])([H:15])[C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C-:2]([O+:3]=[C:4]([C:5]([C:6]([C:7]([H:17])([H:18])[H:19])([H:11])[H:16])([H:14])[H:15])[H:13])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-3-7-6-4-5(6)2/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C6H12O/c1-3-5-6-7-4-2/h4,6H,3,5H2,1-2H3",64.53168000000001,32.637370000000004,
12758,[C:1]([C:2]([O:3][C@@:4]1([H:13])[C:5]([H:14])([H:15])[C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](=[C:2]([H:11])[H:12])([H:9])[H:10].[H:8][H:13].[O:3]=[C:4]1[C:5]([H:14])([H:15])[C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16],"InChI=1S/C6H12O/c1-3-7-6-4-5(6)2/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C4H6O.C2H4.H2/c1-3-2-4(3)5;1-2;/h3H,2H2,1H3;1-2H2;1H/t3-;;/m1../s1",65.73518,42.65341,
12759,[C:1]([C:2]([O:3][C@@:4]1([H:13])[C:5]([H:14])([H:15])[C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([O:3][C@@:4]1([H:13])[C:5]([H:14])([H:15])[C:6]1)([H:11])[H:12])([H:8])([H:9])[H:10].[C:7]([H:16])([H:17])([H:18])[H:19],"InChI=1S/C6H12O/c1-3-7-6-4-5(6)2/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C5H8O.CH4/c1-2-6-5-3-4-5;/h5H,2-3H2,1H3;1H4/t5-;/m0./s1",88.43598,94.32016,
12760,[C:1]([C:2]([O:3][C@@:4]1([H:13])[C:5]([H:14])([H:15])[C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([O:3]/[C:4](=[C:5](/[C:6]([C:7]([H:17])([H:18])[H:19])([H:15])[H:16])[H:14])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-3-7-6-4-5(6)2/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C6H12O/c1-3-5-6-7-4-2/h5-6H,3-4H2,1-2H3/b6-5+",66.92456999999999,-9.28063,
12761,[C:1]([C:2]([O:3][C@@:4]1([H:13])[C:5]([H:14])([H:15])[C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C-:2](=[O+:3][C@@:4]1([H:13])[C:5]([H:14])([H:15])[C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])[H:12].[C:1]([H:8])([H:9])([H:10])[H:11],"InChI=1S/C6H12O/c1-3-7-6-4-5(6)2/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C5H8O.CH4/c1-4-3-5(4)6-2;/h2,4-5H,3H2,1H3;1H4/t4-,5+;/m1./s1",76.61518000000001,65.76183,
12762,[C:1]([C:2]([O:3][C@@:4]1([H:13])[C:5]([H:14])([H:15])[C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C-:2]([O+:3]=[C:4]1[C:5]([H:14])([H:15])[C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])([H:11])[H:12].[C:1]([H:8])([H:9])([H:10])[H:13],"InChI=1S/C6H12O/c1-3-7-6-4-5(6)2/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C5H8O.CH4/c1-4-3-5(4)6-2;/h4H,2-3H2,1H3;1H4/t4-;/m1./s1",80.08443,69.74356,
12763,[C:1]([C:2]([O:3][C@@:4]1([H:13])[C:5]([H:14])([H:15])[C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([H:10])([H:11])[H:12])([C:5]([C@:6]([C:4](=[O:3])[H:13])([C:7]([H:17])([H:18])[H:19])[H:16])([H:14])[H:15])([H:8])[H:9],"InChI=1S/C6H12O/c1-3-7-6-4-5(6)2/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C6H12O/c1-3-4-6(2)5-7/h5-6H,3-4H2,1-2H3/t6-/m1/s1",81.18924,-25.75542,
12764,[C:1]([C:2]([O:3][C@@:4]1([H:13])[C:5]([H:14])([H:15])[C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([O:3][C:4](=[C:5]([H:14])[H:15])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10].[C:6](=[C:7]([H:17])[H:19])([H:16])[H:18],"InChI=1S/C6H12O/c1-3-7-6-4-5(6)2/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C4H8O.C2H4/c1-3-5-4-2;1-2/h3H,1,4H2,2H3;1-2H2",77.70016,15.049879999999998,
12765,[C:1]([C:2]([O:3][C@@:4]1([H:13])[C:5]([H:14])([H:15])[C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:6]([C@@:4]1([H:13])[O:3][C:5]1([H:14])[H:15])([C:7]([H:17])([H:18])[H:19])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-3-7-6-4-5(6)2/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C6H12O/c1-3-5(2)6-4-7-6/h5-6H,3-4H2,1-2H3/t5-,6-/m0/s1",95.20741,-2.38073,
12766,[C:1]([C:2]([O:3][C@@:4]1([H:13])[C:5]([H:14])([H:15])[C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:3][C:2]([C@@:6]([C:4](=[C:5]([H:14])[H:15])[H:13])([C:7]([H:17])([H:18])[H:19])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-3-7-6-4-5(6)2/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C6H12O/c1-4-6(2)5-7-3/h4,6H,1,5H2,2-3H3/t6-/m1/s1",108.04104,-1.45513,
12767,[C:1]([C:2]([O:3][C@@:4]1([H:13])[C:5]([H:14])([H:15])[C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([O:3][C@@:4]1([H:13])[C:5]([H:14])([H:15])[C:6]1=[C:7]([H:17])[H:19])([H:11])[H:12])([H:8])([H:9])[H:10].[H:16][H:18],"InChI=1S/C6H12O/c1-3-7-6-4-5(6)2/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C6H10O.H2/c1-3-7-6-4-5(6)2;/h6H,2-4H2,1H3;1H/t6-;/m0./s1",113.09167,39.48465,
12768,[C:1]([C:2]([O:3][C@@:4]1([H:13])[C:5]([H:14])([H:15])[C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([O:3][H:15])([H:11])[H:12])([H:8])([H:9])[H:10].[C:4]1([H:13])=[C:5]([H:14])[C:6]1([C:7]([H:17])([H:18])[H:19])[H:16],"InChI=1S/C6H12O/c1-3-7-6-4-5(6)2/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C4H6.C2H6O/c1-4-2-3-4;1-2-3/h2-4H,1H3;3H,2H2,1H3",73.84373000000001,38.32515,
12769,[C:1]([C:2]([O:3][C@@:4]1([H:13])[C:5]([H:14])([H:15])[C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2](=[O:3])[H:12])([H:8])([H:9])[H:10].[C:4]1([H:13])=[C:6]([H:16])[C:5]1([H:14])[H:15].[C:7]([H:11])([H:17])([H:18])[H:19],"InChI=1S/C6H12O/c1-3-7-6-4-5(6)2/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C3H4.C2H4O.CH4/c1-2-3-1;1-2-3;/h1-2H,3H2;2H,1H3;1H4",97.24564000000001,43.447520000000004,
12770,[C:1]([C:2]([O:3][C@@:4]1([H:13])[C:5]([H:14])([H:15])[C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([O:3][C:4]([C:5]([C:6][C:7]([H:17])([H:18])[H:19])([H:14])[H:15])([H:13])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-3-7-6-4-5(6)2/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C6H12O/c1-3-5-6-7-4-2/h4-6H2,1-2H3",66.09325,69.25348000000001,
12771,[C:1]([C:2]([O:3][C@@:4]1([H:13])[C:5]([H:14])([H:15])[C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2](=[O+:3][C:4]([C@@:6]([C-:5]([H:14])[H:15])([C:7]([H:17])([H:18])[H:19])[H:16])([H:11])[H:13])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-3-7-6-4-5(6)2/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C6H12O/c1-4-7-5-6(2)3/h4,6H,2,5H2,1,3H3/t6-/m0/s1",78.21975,66.57629,
12772,[C:1]([C:2]([O:3][C@@:4]1([H:13])[C:5]([H:14])([H:15])[C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([O:3][C:4]1([H:13])[C:5]([H:15])=[C:6]1[H:16])([H:11])[H:12])([H:8])([H:9])[H:10].[C:7]([H:14])([H:17])([H:18])[H:19],"InChI=1S/C6H12O/c1-3-7-6-4-5(6)2/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C5H8O.CH4/c1-2-6-5-3-4-5;/h3-5H,2H2,1H3;1H4",111.82918000000001,38.24155,
12773,[C:1]([C:2]([O:3][C@@:4]1([H:13])[C:5]([H:14])([H:15])[C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](=[C:2]([O:3][C@@:4]1([H:13])[C:5]([H:14])([H:15])[C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])[H:12])([H:9])[H:10].[H:8][H:11],"InChI=1S/C6H12O/c1-3-7-6-4-5(6)2/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C6H10O.H2/c1-3-7-6-4-5(6)2;/h3,5-6H,1,4H2,2H3;1H/t5-,6+;/m1./s1",102.08118,27.704590000000003,
12774,[C:1]([C:2]([O:3][C@@:4]1([H:13])[C:5]([H:14])([H:15])[C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2](=[O:3])[H:12])([H:8])([H:9])[H:10].[C:4](=[C:5]([H:14])[H:15])([C:6]([C:7]([H:17])([H:18])[H:19])([H:11])[H:16])[H:13],"InChI=1S/C6H12O/c1-3-7-6-4-5(6)2/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C4H8.C2H4O/c1-3-4-2;1-2-3/h3H,1,4H2,2H3;2H,1H3",57.41356999999999,-5.175,
12775,[C:1]([C:2]([O:3][C@@:4]1([H:13])[C:5]([H:14])([H:15])[C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([O:3][C@@:6]([C:5]([C:4][H:13])([H:14])[H:15])([C:7]([H:17])([H:18])[H:19])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-3-7-6-4-5(6)2/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C6H12O/c1-4-6(3)7-5-2/h1,6H,4-5H2,2-3H3/t6-/m1/s1",88.14012,76.01216,
12776,[C:1]([C:2]([O:3][C@@:4]1([H:13])[C:5]([H:14])([H:15])[C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])[H:10].[C:2]([O:3][C:4]1[C:5]([H:14])([H:15])[C@:6]1([C:7]([H:17])([H:18])[H:19])[H:16])([H:11])([H:12])[H:13],"InChI=1S/C6H12O/c1-3-7-6-4-5(6)2/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C5H9O.CH3/c1-4-3-5(4)6-2;/h4H,3H2,1-2H3;1H3/t4-;/m1./s1",119.06379,94.02216,
12777,[N:1]#[C:2][C:3]([O:4][C:5]([C:6]#[N:7])([H:10])[H:11])([H:8])[H:9],[N:1]#[C:2][C@@:3]1([H:8])[O:4][C:5]([H:10])([H:11])[C:6][N:7]1[H:9],InChI=1S/C4H4N2O/c5-1-3-7-4-2-6/h3-4H2,"InChI=1S/C4H4N2O/c5-3-4-6-1-2-7-4/h4,6H,2H2/t4-/m1/s1",57.033640000000005,36.00412,
12778,[N:1]#[C:2][C:3]([O:4][C:5]([C:6]#[N:7])([H:10])[H:11])([H:8])[H:9],[N:1](=[C:2]=[C:3]([O:4][C:5]([C:6]#[N:7])([H:10])[H:11])[H:8])[H:9],InChI=1S/C4H4N2O/c5-1-3-7-4-2-6/h3-4H2,"InChI=1S/C4H4N2O/c5-1-3-7-4-2-6/h3,5H,4H2",79.75332,21.513720000000003,
12779,[N:1]#[C:2][C:3]([O:4][C:5]([C:6]#[N:7])([H:10])[H:11])([H:8])[H:9],[N:1]1[C@:2]23[C:3]([H:8])([H:9])[O:4][C:5]([H:10])([H:11])[C@:6]12[N:7]3,InChI=1S/C4H4N2O/c5-1-3-7-4-2-6/h3-4H2,"InChI=1S/C4H4N2O/c1-3-4(5-3,6-3)2-7-1/h1-2H2/t3-,4+",92.31823,81.03537,
12780,[N:1]#[C:2][C:3]([O:4][C:5]([C:6]#[N:7])([H:10])[H:11])([H:8])[H:9],[N:1]#[C:2][C:3]([O:4][C:6]1=[N:7][C:5]1([H:10])[H:11])([H:8])[H:9],InChI=1S/C4H4N2O/c5-1-3-7-4-2-6/h3-4H2,InChI=1S/C4H4N2O/c5-1-2-7-4-3-6-4/h2-3H2,74.00339,29.727490000000003,
12781,[N:1]#[C:2][C:3]([O:4][C:5]([C:6]#[N:7])([H:10])[H:11])([H:8])[H:9],[N+:1](#[C-:2])[C:3]([O:4][C:5]([C:6]#[N:7])([H:10])[H:11])([H:8])[H:9],InChI=1S/C4H4N2O/c5-1-3-7-4-2-6/h3-4H2,InChI=1S/C4H4N2O/c1-6-4-7-3-2-5/h3-4H2,51.75723,22.51679,
12782,[N:1]#[C:2][C:3]([O:4][C:5]([C:6]#[N:7])([H:10])[H:11])([H:8])[H:9],[C:3](=[O:4])([H:8])[H:9].[N+:1](#[C-:2])[C:6]1=[N:7][C:5]1([H:10])[H:11],InChI=1S/C4H4N2O/c5-1-3-7-4-2-6/h3-4H2,InChI=1S/C3H2N2.CH2O/c1-4-3-2-5-3;1-2/h2H2;1H2,82.46797,68.22365,
12783,[N:1]#[C:2][C:3]([O:4][C:5]([C:6]#[N:7])([H:10])[H:11])([H:8])[H:9],[N:1](=[C:2]=[C:3]([H:8])[H:9])[O:4][C:5]([C:6]#[N:7])([H:10])[H:11],InChI=1S/C4H4N2O/c5-1-3-7-4-2-6/h3-4H2,"InChI=1S/C4H4N2O/c1-2-6-7-4-3-5/h1,4H2",72.47713,46.65039,
12784,[N:1]#[C:2][C:3]([O:4][C:5]([C:6]#[N:7])([H:10])[H:11])([H:8])[H:9],[N:1]#[C:2][C@@:3]([O:4][H:8])([N:7]=[C:6]=[C:5]([H:10])[H:11])[H:9],InChI=1S/C4H4N2O/c5-1-3-7-4-2-6/h3-4H2,"InChI=1S/C4H4N2O/c1-2-6-4(7)3-5/h4,7H,1H2/t4-/m1/s1",72.31879,8.22978,
12785,[N:1]#[C:2][C:3]([O:4][C:5]([C:6]#[N:7])([H:10])[H:11])([H:8])[H:9],[N:1]1=[C:2]([H:9])[C:3]([H:8])=[O+:4][C:5]([H:10])([H:11])[C:6]1=[N-:7],InChI=1S/C4H4N2O/c5-1-3-7-4-2-6/h3-4H2,"InChI=1S/C4H4N2O/c5-4-3-7-2-1-6-4/h1-2H,3H2",69.48258,45.10075,
12786,[N:1]#[C:2][C:3]([O:4][C:5]([C:6]#[N:7])([H:10])[H:11])([H:8])[H:9],[N:1]1=[C:2]([C:3]([O:4][H:10])([H:8])[H:9])[C@@:5]1([C:6]#[N:7])[H:11],InChI=1S/C4H4N2O/c5-1-3-7-4-2-6/h3-4H2,"InChI=1S/C4H4N2O/c5-1-3-4(2-7)6-3/h3,7H,2H2/t3-/m0/s1",75.68543000000001,21.182129999999997,
12787,[N:1]#[C:2][C:3]([O:4][C:5]([C:6]#[N:7])([H:10])[H:11])([H:8])[H:9],[C:5](=[C:6]=[N:7][H:9])([H:10])[H:11].[N:1]#[C:2][C:3](=[O:4])[H:8],InChI=1S/C4H4N2O/c5-1-3-7-4-2-6/h3-4H2,"InChI=1S/C2HNO.C2H3N/c3-1-2-4;1-2-3/h2H;3H,1H2",42.43237,21.10729,Retroene
12788,[N:1]#[C:2][C:3]([O:4][C:5]([C:6]#[N:7])([H:10])[H:11])([H:8])[H:9],[H:9][H:10].[N:1]#[C:2][C:3](=[O+:4][C:5](=[C:6]=[N-:7])[H:11])[H:8],InChI=1S/C4H4N2O/c5-1-3-7-4-2-6/h3-4H2,InChI=1S/C4H2N2O.H2/c5-1-3-7-4-2-6;/h3-4H;1H,61.36351,51.705870000000004,
12789,[N:1]#[C:2][C:3]([O:4][C:5]([C:6]#[N:7])([H:10])[H:11])([H:8])[H:9],[N:1]#[C:2][C:6]1=[N:7][C:5]([H:10])([H:11])[O:4][C:3]1([H:8])[H:9],InChI=1S/C4H4N2O/c5-1-3-7-4-2-6/h3-4H2,InChI=1S/C4H4N2O/c5-1-4-2-7-3-6-4/h2-3H2,65.53655,-4.67184,
12790,[N:1]#[C:2][C:3]([O:4][C:5]([C:6]#[N:7])([H:10])[H:11])([H:8])[H:9],[N:1]=[C:2]1[C:3]([H:8])([H:9])[O:4][C:6](=[N:7])[C:5]1([H:10])[H:11],InChI=1S/C4H4N2O/c5-1-3-7-4-2-6/h3-4H2,InChI=1S/C4H4N2O/c5-3-1-4(6)7-2-3/h1-2H2,74.05271,48.48908,
12791,[N:1]#[C:2][C:3]([O:4][C:5]([C:6]#[N:7])([H:10])[H:11])([H:8])[H:9],[N:1](=[C:2]=[C:3]([H:8])[H:9])[N+:7]#[C-:6].[O:4]=[C:5]([H:10])[H:11],InChI=1S/C4H4N2O/c5-1-3-7-4-2-6/h3-4H2,InChI=1S/C3H2N2.CH2O/c1-3-5-4-2;1-2/h1H2;1H2,84.93070999999999,76.86476,
12792,[O:1]([c:2]1=[n:3][c:4]([O:5][H:9])[c:6]([H:10])[n:7]1[H:11])[H:8],[O:1]=[c:2]1[n:3]([H:8])[c:4]([O:5][H:9])[c:6]([H:10])[n:7]1[H:11],"InChI=1S/C3H4N2O2/c6-2-1-4-3(7)5-2/h1,6H,(H2,4,5,7)","InChI=1S/C3H4N2O2/c6-2-1-4-3(7)5-2/h1,6H,(H2,4,5,7)",37.431740000000005,-2.04819,ketoenol
12793,[O:1]([c:2]1=[n:3][c:4]([O:5][H:9])[c:6]([H:10])[n:7]1[H:11])[H:8],[O:1]([C-:2]=[N+:3]=[C:4]([O:5][H:9])/[C:6](=[N:7]\[H:11])[H:10])[H:8],"InChI=1S/C3H4N2O2/c6-2-1-4-3(7)5-2/h1,6H,(H2,4,5,7)","InChI=1S/C3H4N2O2/c4-1-3(7)5-2-6/h1,4,6-7H/b4-1-",59.5548,50.929759999999995,
12794,[O:1]([c:2]1=[n:3][c:4]([O:5][H:9])[c:6]([H:10])[n:7]1[H:11])[H:8],[O:1]([C@@:2]1([H:11])[N:3]=[C:4]([O:5][H:9])[C:6]([H:10])=[N:7]1)[H:8],"InChI=1S/C3H4N2O2/c6-2-1-4-3(7)5-2/h1,6H,(H2,4,5,7)","InChI=1S/C3H4N2O2/c6-2-1-4-3(7)5-2/h1,3,7H,(H,5,6)/t3-/m1/s1",45.30845,16.94265,
12795,[O:1]([c:2]1=[n:3][c:4]([O:5][H:9])[c:6]([H:10])[n:7]1[H:11])[H:8],[O:1](/[N:3]=[C:2]1/[C:4]([O:5][H:9])=[C:6]([H:10])[N:7]1[H:11])[H:8],"InChI=1S/C3H4N2O2/c6-2-1-4-3(7)5-2/h1,6H,(H2,4,5,7)","InChI=1S/C3H4N2O2/c6-2-1-4-3(2)5-7/h1,6-7H,(H,4,5)",141.79781,83.31126,
12796,[O:1]([c:2]1=[n:3][c:4]([O:5][H:9])[c:6]([H:10])[n:7]1[H:11])[H:8],[O:1]([C:2]1=[N:7][C:6]([H:10])([H:11])[C:4]([O:5][H:9])=[N:3]1)[H:8],"InChI=1S/C3H4N2O2/c6-2-1-4-3(7)5-2/h1,6H,(H2,4,5,7)","InChI=1S/C3H4N2O2/c6-2-1-4-3(7)5-2/h1H2,(H2,4,5,6,7)",41.85198,1.9268900000000002,
12797,[O:1]([c:2]1=[n:3][c:4]([O:5][H:9])[c:6]([H:10])[n:7]1[H:11])[H:8],[O:1](/[C:2]([N:3]1[C:4]([O:5][H:9])=[C:6]1[H:10])=[N:7]\[H:11])[H:8],"InChI=1S/C3H4N2O2/c6-2-1-4-3(7)5-2/h1,6H,(H2,4,5,7)","InChI=1S/C3H4N2O2/c4-3(7)5-1-2(5)6/h1,6H,(H2,4,7)",89.0996,71.57002,
12798,[O:1]([c:2]1=[n:3][c:4]([O:5][H:9])[c:6]([H:10])[n:7]1[H:11])[H:8],[O:1]=[C:2]1[N:3]=[C:4]([O:5][H:9])[C:6]([H:8])([H:10])[N:7]1[H:11],"InChI=1S/C3H4N2O2/c6-2-1-4-3(7)5-2/h1,6H,(H2,4,5,7)","InChI=1S/C3H4N2O2/c6-2-1-4-3(7)5-2/h1H2,(H2,4,5,6,7)",82.81696,-9.645389999999999,
12800,[O:1]([c:2]1=[n:3][c:4]([O:5][H:9])[c:6]([H:10])[n:7]1[H:11])[H:8],[O:1]([c:2]1[n:3]([H:9])[c:4]([O-:5])[c:6]([H:10])[n+:7]1[H:11])[H:8],"InChI=1S/C3H4N2O2/c6-2-1-4-3(7)5-2/h1,6H,(H2,4,5,7)","InChI=1S/C3H4N2O2/c6-2-1-4-3(7)5-2/h1,6H,(H2,4,5,7)",42.07768,15.779370000000002,
12801,[O:1]([c:2]1=[n:3][c:4]([O:5][H:9])[c:6]([H:10])[n:7]1[H:11])[H:8],[O:1]([C:2]([N:3]=[C:4]=[C:6]([O:5][H:9])[H:10])=[N:7][H:11])[H:8],"InChI=1S/C3H4N2O2/c6-2-1-4-3(7)5-2/h1,6H,(H2,4,5,7)","InChI=1S/C3H4N2O2/c4-3(7)5-1-2-6/h2,6H,(H2,4,7)",87.73229,40.36958,
12802,[O:1]([c:2]1=[n:3][c:4]([O:5][H:9])[c:6]([H:10])[n:7]1[H:11])[H:8],[O:1]=[C:2](/[N:3]=[C:4]([O:5][H:9])\[C:6](=[N:7]\[H:11])[H:10])[H:8],"InChI=1S/C3H4N2O2/c6-2-1-4-3(7)5-2/h1,6H,(H2,4,5,7)","InChI=1S/C3H4N2O2/c4-1-3(7)5-2-6/h1-2,4H,(H,5,6,7)/b4-1+",60.125240000000005,16.14935,
12803,[O:1]([c:2]1=[n:3][c:4]([O:5][H:9])[c:6]([H:10])[n:7]1[H:11])[H:8],[O:1]([C:2]1=[N:3][C@@:4]([O:5][H:9])([H:10])[C-:6]=[N+:7]1[H:11])[H:8],"InChI=1S/C3H4N2O2/c6-2-1-4-3(7)5-2/h1,6H,(H2,4,5,7)","InChI=1S/C3H4N2O2/c6-2-1-4-3(7)5-2/h2,4,6H,(H,5,7)/t2-/m1/s1",60.93258,55.50658000000001,Singlet_Carbene_Intra_Disproportionation
12804,[O:1]([c:2]1=[n:3][c:4]([O:5][H:9])[c:6]([H:10])[n:7]1[H:11])[H:8],[O:1]([C+:2]1[N+:3](=[C-:4][O:5][H:9])[C-:6]([H:10])[N:7]1[H:11])[H:8],"InChI=1S/C3H4N2O2/c6-2-1-4-3(7)5-2/h1,6H,(H2,4,5,7)","InChI=1S/C3H4N2O2/c6-2-5-1-4-3(5)7/h1,4,6-7H",114.8501,112.38561999999999,
12805,[O:1]([c:2]1=[n:3][c:4]([O:5][H:9])[c:6]([H:10])[n:7]1[H:11])[H:8],[O:1]([C:2]1=[N:3][C:4](=[O:5])[C:6]([H:9])([H:10])[N:7]1[H:11])[H:8],"InChI=1S/C3H4N2O2/c6-2-1-4-3(7)5-2/h1,6H,(H2,4,5,7)","InChI=1S/C3H4N2O2/c6-2-1-4-3(7)5-2/h1H2,(H2,4,5,6,7)",51.39462,-7.7245,ketoenol
12806,[O:1]([c:2]1=[n:3][c:4]([O:5][H:9])[c:6]([H:10])[n:7]1[H:11])[H:8],[O:1]([C:2]1=[N:3][C:4]([O:5][H:9])=[C-:6][N+:7]1([H:10])[H:11])[H:8],"InChI=1S/C3H4N2O2/c6-2-1-4-3(7)5-2/h1,6H,(H2,4,5,7)","InChI=1S/C3H4N2O2/c6-2-1-4-3(7)5-2/h6H,4H2,(H,5,7)",88.91045,84.43464,
12807,[O:1]([c:2]1=[n:3][c:4]([O:5][H:9])[c:6]([H:10])[n:7]1[H:11])[H:8],[O:1]([C-:2]=[N+:7]([C@@:6]1([H:10])[N:3]=[C:4]1[O:5][H:9])[H:11])[H:8],"InChI=1S/C3H4N2O2/c6-2-1-4-3(7)5-2/h1,6H,(H2,4,5,7)","InChI=1S/C3H4N2O2/c6-1-4-2-3(7)5-2/h2,4,6H,(H,5,7)/t2-/m0/s1",106.23617,76.50238,
12808,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]1([O:5][C:6](=[O:7])[H:13])[H:12])[H:8],[C:6](=[O:7])([H:12])[H:13].[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C:4]1=[O:5])[H:8],"InChI=1S/C4H6O3/c5-2-7-4-1-3(4)6/h2-4,6H,1H2/t3-,4+/m0/s1","InChI=1S/C3H4O2.CH2O/c4-2-1-3(2)5;1-2/h2,4H,1H2;1H2/t2-;/m0./s1",67.14029000000001,40.855979999999995,
12809,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]1([O:5][C:6](=[O:7])[H:13])[H:12])[H:8],[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]1([O+:5]=[C-:6][O:7][H:13])[H:12])[H:8],"InChI=1S/C4H6O3/c5-2-7-4-1-3(4)6/h2-4,6H,1H2/t3-,4+/m0/s1","InChI=1S/C4H6O3/c5-2-7-4-1-3(4)6/h3-6H,1H2/t3-,4+/m0/s1",75.7825,45.330709999999996,
12810,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]1([O:5][C:6](=[O:7])[H:13])[H:12])[H:8],[H:8][H:9].[O:1]=[C:2]1[C:3]([H:10])([H:11])[C@:4]1([O:5][C:6](=[O:7])[H:13])[H:12],"InChI=1S/C4H6O3/c5-2-7-4-1-3(4)6/h2-4,6H,1H2/t3-,4+/m0/s1","InChI=1S/C4H4O3.H2/c5-2-7-4-1-3(4)6;/h2,4H,1H2;1H/t4-;/m1./s1",88.87405,32.66225,
12811,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]1([O:5][C:6](=[O:7])[H:13])[H:12])[H:8],[O:1]([C@@:2]([C:3]([C:4](=[O:5])[H:12])([H:10])[H:11])([C:6](=[O:7])[H:13])[H:9])[H:8],"InChI=1S/C4H6O3/c5-2-7-4-1-3(4)6/h2-4,6H,1H2/t3-,4+/m0/s1","InChI=1S/C4H6O3/c5-2-1-4(7)3-6/h2-4,7H,1H2/t4-/m0/s1",54.76555,-4.8083800000000005,
12812,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]1([O:5][C:6](=[O:7])[H:13])[H:12])[H:8],[O:1]([C:2]([C@@:4]([C:3][H:11])([O:5][C:6](=[O:7])[H:13])[H:12])([H:9])[H:10])[H:8],"InChI=1S/C4H6O3/c5-2-7-4-1-3(4)6/h2-4,6H,1H2/t3-,4+/m0/s1","InChI=1S/C4H6O3/c1-4(2-5)7-3-6/h1,3-5H,2H2/t4-/m1/s1",66.64766999999999,71.3239,
12813,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]1([O:5][C:6](=[O:7])[H:13])[H:12])[H:8],[O:1]([C@@:2]([C:4](=[C:3]([H:10])[H:11])[H:12])([O:7][C:6](=[O:5])[H:13])[H:9])[H:8],"InChI=1S/C4H6O3/c5-2-7-4-1-3(4)6/h2-4,6H,1H2/t3-,4+/m0/s1","InChI=1S/C4H6O3/c1-2-4(6)7-3-5/h2-4,6H,1H2/t4-/m1/s1",32.28032,-12.64785,
12814,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]1([O:5][C:6](=[O:7])[H:13])[H:12])[H:8],[C-:6]#[O+:7].[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]1([O:5][H:13])[H:12])[H:8],"InChI=1S/C4H6O3/c5-2-7-4-1-3(4)6/h2-4,6H,1H2/t3-,4+/m0/s1","InChI=1S/C3H6O2.CO/c4-2-1-3(2)5;1-2/h2-5H,1H2;/t2-,3+;",60.75966999999999,9.86875,"1,2_Insertion_CO"
12815,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]1([O:5][C:6](=[O:7])[H:13])[H:12])[H:8],[H:9][H:12].[O:1]([C:2]1=[C:4]([O:5][C:6](=[O:7])[H:13])[C:3]1([H:10])[H:11])[H:8],"InChI=1S/C4H6O3/c5-2-7-4-1-3(4)6/h2-4,6H,1H2/t3-,4+/m0/s1","InChI=1S/C4H4O3.H2/c5-2-7-4-1-3(4)6;/h2,6H,1H2;1H",108.34097,47.95462,
12816,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]1([O:5][C:6](=[O:7])[H:13])[H:12])[H:8],[O:1]=[C:2]([C:4](=[C:3]([H:10])[H:11])[H:12])[H:9].[O:5]=[C:6]([O:7][H:8])[H:13],"InChI=1S/C4H6O3/c5-2-7-4-1-3(4)6/h2-4,6H,1H2/t3-,4+/m0/s1","InChI=1S/C3H4O.CH2O2/c1-2-3-4;2-1-3/h2-3H,1H2;1H,(H,2,3)",17.05868,-8.64201,
12817,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]1([O:5][C:6](=[O:7])[H:13])[H:12])[H:8],[O:1]([C:2](/[C:3](=[C:4](/[O:5][C:6](=[O:7])[H:13])[H:12])[H:11])([H:9])[H:10])[H:8],"InChI=1S/C4H6O3/c5-2-7-4-1-3(4)6/h2-4,6H,1H2/t3-,4+/m0/s1","InChI=1S/C4H6O3/c5-2-1-3-7-4-6/h1,3-5H,2H2/b3-1+",66.6455,-5.56036,
12818,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]1([O:5][C:6](=[O:7])[H:13])[H:12])[H:8],[C:6](=[O:7])([H:11])[H:13].[O:1](/[C:2](=[C:3](\[C:4](=[O:5])[H:12])[H:10])[H:9])[H:8],"InChI=1S/C4H6O3/c5-2-7-4-1-3(4)6/h2-4,6H,1H2/t3-,4+/m0/s1",InChI=1S/C3H4O2.CH2O/c4-2-1-3-5;1-2/h1-4H;1H2/b2-1-;,59.48109,-1.64153,
12819,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]1([O:5][C:6](=[O:7])[H:13])[H:12])[H:8],[C-:6]#[O+:7].[O:1]([C:2]([C:3]([C:4](=[O:5])[H:12])([H:10])[H:11])([H:9])[H:13])[H:8],"InChI=1S/C4H6O3/c5-2-7-4-1-3(4)6/h2-4,6H,1H2/t3-,4+/m0/s1","InChI=1S/C3H6O2.CO/c4-2-1-3-5;1-2/h2,5H,1,3H2;",51.67183,-4.246580000000001,
12820,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]1([O:5][C:6](=[O:7])[H:13])[H:12])[H:8],[O:1]=[C:2]1[C:3]([H:10])([H:11])[C:4]1([H:9])[H:12].[O:5]=[C:6]([O:7][H:8])[H:13],"InChI=1S/C4H6O3/c5-2-7-4-1-3(4)6/h2-4,6H,1H2/t3-,4+/m0/s1","InChI=1S/C3H4O.CH2O2/c4-3-1-2-3;2-1-3/h1-2H2;1H,(H,2,3)",55.7221,8.149230000000001,
12821,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]1([O:5][C:6](=[O:7])[H:13])[H:12])[H:8],[O:1]1[C@@:2]2([H:9])[C:3]([H:10])([H:11])[C@@:4]2([H:12])[O:5][C@@:6]1([O:7][H:8])[H:13],"InChI=1S/C4H6O3/c5-2-7-4-1-3(4)6/h2-4,6H,1H2/t3-,4+/m0/s1","InChI=1S/C4H6O3/c5-4-6-2-1-3(2)7-4/h2-5H,1H2/t2-,3+,4+",42.72497,10.76096,
12822,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]1([O:5][C:6](=[O:7])[H:13])[H:12])[H:8],[O:1]([C:2]1([H:9])[C:3]([H:10])=[C:4]1[H:12])[H:8].[O:5]=[C:6]([O:7][H:11])[H:13],"InChI=1S/C4H6O3/c5-2-7-4-1-3(4)6/h2-4,6H,1H2/t3-,4+/m0/s1","InChI=1S/C3H4O.CH2O2/c4-3-1-2-3;2-1-3/h1-4H;1H,(H,2,3)",49.932520000000004,29.571720000000003,Retroene
12823,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]1([O:5][C:6](=[O:7])[H:13])[H:12])[H:8],[O:1]1[C@@:2]2([H:9])[C:3]([H:10])([H:11])[C@@:4]12[H:12].[O:5]=[C:6]([O:7][H:8])[H:13],"InChI=1S/C4H6O3/c5-2-7-4-1-3(4)6/h2-4,6H,1H2/t3-,4+/m0/s1","InChI=1S/C3H4O.CH2O2/c1-2-3(1)4-2;2-1-3/h2-3H,1H2;1H,(H,2,3)/t2-,3+;",59.39524,46.96545,
12824,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]1([O:5][C:6](=[O:7])[H:13])[H:12])[H:8],[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[O:7][C:6]([H:13])=[O+:5][C-:4]1[H:12])[H:8],"InChI=1S/C4H6O3/c5-2-7-4-1-3(4)6/h2-4,6H,1H2/t3-,4+/m0/s1","InChI=1S/C4H6O3/c5-4-1-6-3-7-2-4/h1,3-5H,2H2/t4-/m1/s1",55.94265,47.624190000000006,
12825,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]1([O:5][C:6](=[O:7])[H:13])[H:12])[H:8],[O:1]([C:6]([O:5][C@@:4]1([H:12])[C:2][C:3]1([H:10])[H:11])([O:7][H:9])[H:13])[H:8],"InChI=1S/C4H6O3/c5-2-7-4-1-3(4)6/h2-4,6H,1H2/t3-,4+/m0/s1","InChI=1S/C4H6O3/c5-4(6)7-3-1-2-3/h3-6H,1H2/t3-/m1/s1",88.48128,82.21152,
12826,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]1([O:5][C:6](=[O:7])[H:13])[H:12])[H:8],[O:1]([C:2]([C:3]([C-:4]=[O+:5][C:6](=[O:7])[H:13])([H:10])[H:11])([H:9])[H:12])[H:8],"InChI=1S/C4H6O3/c5-2-7-4-1-3(4)6/h2-4,6H,1H2/t3-,4+/m0/s1","InChI=1S/C4H6O3/c5-2-1-3-7-4-6/h4-5H,1-2H2",57.014959999999995,51.04457,
12827,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]1([O:5][C:6](=[O:7])[H:13])[H:12])[H:8],[C:2]1([H:9])=[C:3]([H:10])[C:4]1([O:5][C:6](=[O:7])[H:13])[H:12].[O:1]([H:8])[H:11],"InChI=1S/C4H6O3/c5-2-7-4-1-3(4)6/h2-4,6H,1H2/t3-,4+/m0/s1",InChI=1S/C4H4O2.H2O/c5-3-6-4-1-2-4;/h1-4H;1H2,61.71913000000001,31.400109999999998,
12828,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]1([O:5][C:6](=[O:7])[H:13])[H:12])[H:8],[O:1]([C:2][C:3]([C:4]([O:5][C:6](=[O:7])[H:13])([H:9])[H:12])([H:10])[H:11])[H:8],"InChI=1S/C4H6O3/c5-2-7-4-1-3(4)6/h2-4,6H,1H2/t3-,4+/m0/s1","InChI=1S/C4H6O3/c5-2-1-3-7-4-6/h4-5H,1,3H2",52.66741999999999,37.99842,
12829,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]1([O:5][C:6](=[O:7])[H:13])[H:12])[H:8],[C-:6]#[O+:7].[O:1]([C@@:2]([C:3]([H:10])([H:11])[H:13])([C:4](=[O:5])[H:12])[H:9])[H:8],"InChI=1S/C4H6O3/c5-2-7-4-1-3(4)6/h2-4,6H,1H2/t3-,4+/m0/s1","InChI=1S/C3H6O2.CO/c1-3(5)2-4;1-2/h2-3,5H,1H3;/t3-;/m0./s1",47.62769,-11.66465,
12830,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]1([O:5][C:6](=[O:7])[H:13])[H:12])[H:8],[C:3](=[C:4]([O:5][C:6](=[O:7])[H:13])[H:12])([H:10])[H:11].[O:1]([C:2][H:9])[H:8],"InChI=1S/C4H6O3/c5-2-7-4-1-3(4)6/h2-4,6H,1H2/t3-,4+/m0/s1","InChI=1S/C3H4O2.CH2O/c1-2-5-3-4;1-2/h2-3H,1H2;1-2H",52.43914,65.58314,
12831,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]1([O:5][C:6](=[O:7])[H:13])[H:12])[H:8],[O:1]=[C:2]([C:3]([C@@:4]1([H:12])[O:5][C@:6]1([O:7][H:8])[H:13])([H:10])[H:11])[H:9],"InChI=1S/C4H6O3/c5-2-7-4-1-3(4)6/h2-4,6H,1H2/t3-,4+/m0/s1","InChI=1S/C4H6O3/c5-2-1-3-4(6)7-3/h2-4,6H,1H2/t3-,4-/m1/s1",35.417759999999994,7.036389999999999,
12832,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]1([O:5][C:6](=[O:7])[H:13])[H:12])[H:8],[O:1]=[C:2]([C:3]([C:4]([O:5][C:6](=[O:7])[H:13])([H:8])[H:12])([H:10])[H:11])[H:9],"InChI=1S/C4H6O3/c5-2-7-4-1-3(4)6/h2-4,6H,1H2/t3-,4+/m0/s1","InChI=1S/C4H6O3/c5-2-1-3-7-4-6/h2,4H,1,3H2",46.33061,-17.33897,
12833,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]1([O:5][C:6](=[O:7])[H:13])[H:12])[H:8],[O:1](/[C:2](=[C:3](/[C:4]([O:5][C:6](=[O:7])[H:13])([H:10])[H:12])[H:11])[H:9])[H:8],"InChI=1S/C4H6O3/c5-2-7-4-1-3(4)6/h2-4,6H,1H2/t3-,4+/m0/s1","InChI=1S/C4H6O3/c5-2-1-3-7-4-6/h1-2,4-5H,3H2/b2-1+",70.21519,-12.189860000000001,
12834,[C:1]([N:2]([c:3]1[n:4][n:5]([H:12])[c:6]([H:13])[c:7]1[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([N:2]([C@:3]1([H:14])[N-:4][N:5]([H:12])[C:6]([H:13])=[C+:7]1)[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H7N3/c1-5-4-2-3-6-7-4/h2-3H,1H3,(H2,5,6,7)","InChI=1S/C4H7N3/c1-5-4-2-3-6-7-4/h3-6H,1H3/t4-/m1/s1",85.22974,86.56603,
12835,[C:1]([N:2]([c:3]1[n:4][n:5]([H:12])[c:6]([H:13])[c:7]1[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]1([H:9])([H:10])[N:2]([H:11])[C@:3]12[N-:4][N+:5]([H:8])([H:12])[C:6]([H:13])=[C:7]2[H:14],"InChI=1S/C4H7N3/c1-5-4-2-3-6-7-4/h2-3H,1H3,(H2,5,6,7)","InChI=1S/C4H7N3/c1-2-6-7-4(1)3-5-4/h1-2,5H,3,6H2/t4-/m1/s1",114.02225,88.49391999999999,
12836,[C:1]([N:2]([c:3]1[n:4][n:5]([H:12])[c:6]([H:13])[c:7]1[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([N+:2]([C:3]1=[C:7]=[C:6]([H:13])[N:5]([H:12])[N-:4]1)([H:11])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C4H7N3/c1-5-4-2-3-6-7-4/h2-3H,1H3,(H2,5,6,7)","InChI=1S/C4H6N3/c1-5-4-2-3-6-7-4/h3,5-6H,1H3/q-1/p+1",76.39593,69.47543,
12837,[C:1]([N:2]([c:3]1[n:4][n:5]([H:12])[c:6]([H:13])[c:7]1[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([N:2]([C:3]1=[C:7]=[C:6]([H:13])[N:5]([H:12])[N:4]1[H:14])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H7N3/c1-5-4-2-3-6-7-4/h2-3H,1H3,(H2,5,6,7)","InChI=1S/C4H7N3/c1-5-4-2-3-6-7-4/h3,5-7H,1H3",95.27719,56.72769,
12838,[C:1]([N:2]([c:3]1[n:4][n:5]([H:12])[c:6]([H:13])[c:7]1[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([N:2]([C:3]1(/[N:4]=[N:5]/[H:12])[C:6]([H:13])=[C:7]1[H:14])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H7N3/c1-5-4-2-3-6-7-4/h2-3H,1H3,(H2,5,6,7)","InChI=1S/C4H7N3/c1-6-4(7-5)2-3-4/h2-3,5-6H,1H3/b7-5+",96.35104,81.88172,
12839,[C:1]([N:2]([c:3]1[n:4][n:5]([H:12])[c:6]([H:13])[c:7]1[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([N:2]([C:3](/[N:4]=[N:5]/[H:12])=[C:7]=[C:6]([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H7N3/c1-5-4-2-3-6-7-4/h2-3H,1H3,(H2,5,6,7)","InChI=1S/C4H7N3/c1-3-4(6-2)7-5/h5-6H,1H2,2H3/b7-5+",74.49499,59.49267,
12840,[C:1]([N:2]([c:3]1[n:4][n:5]([H:12])[c:6]([H:13])[c:7]1[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([N:2]([C:3]1=[C:7]([H:14])[C@:6]1([N:5]([N:4])[H:12])[H:13])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H7N3/c1-5-4-2-3-6-7-4/h2-3H,1H3,(H2,5,6,7)","InChI=1S/C4H7N3/c1-6-3-2-4(3)7-5/h2,4,6-7H,1H3/t4-/m1/s1",111.55486,88.38249,
12841,[C:1]([N:2]([c:3]1[n:4][n:5]([H:12])[c:6]([H:13])[c:7]1[H:14])[H:11])([H:8])([H:9])[H:10],[C:1](/[N:2]=[c:3]1/[n:4]([H:11])[n:5]([H:12])[c:6]([H:13])[c:7]1[H:14])([H:8])([H:9])[H:10],"InChI=1S/C4H7N3/c1-5-4-2-3-6-7-4/h2-3H,1H3,(H2,5,6,7)","InChI=1S/C4H7N3/c1-5-4-2-3-6-7-4/h2-3H,1H3,(H2,5,6,7)",55.46951,19.36775,
12842,[C:1]([N:2]([c:3]1[n:4][n:5]([H:12])[c:6]([H:13])[c:7]1[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([N:2]([C:3]1=[N:4][N+:5]([H:12])([H:13])[C-:6]=[C:7]1[H:14])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H7N3/c1-5-4-2-3-6-7-4/h2-3H,1H3,(H2,5,6,7)","InChI=1S/C4H7N3/c1-5-4-2-3-6-7-4/h2H,6H2,1H3,(H,5,7)",78.66463,64.38243,
12843,[C:1]([N:2]([c:3]1[n:4][n:5]([H:12])[c:6]([H:13])[c:7]1[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([N:2]([C:3]1=[N:4][C@:7]1(/[C:6](=[N:5]/[H:12])[H:13])[H:14])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H7N3/c1-5-4-2-3-6-7-4/h2-3H,1H3,(H2,5,6,7)","InChI=1S/C4H7N3/c1-6-4-3(2-5)7-4/h2-3,5H,1H3,(H,6,7)/b5-2+/t3-/m0/s1",69.90423,31.07338,
12844,[C:1]([N:2]([c:3]1[n:4][n:5]([H:12])[c:6]([H:13])[c:7]1[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([N:2]([C:3]1=[N:4][N+:5]([H:12])=[C-:6][C:7]1([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H7N3/c1-5-4-2-3-6-7-4/h2-3H,1H3,(H2,5,6,7)","InChI=1S/C4H7N3/c1-5-4-2-3-6-7-4/h6H,2H2,1H3,(H,5,7)",62.696290000000005,45.45342,Singlet_Carbene_Intra_Disproportionation
12845,[C:1]([N:2]([c:3]1[n:4][n:5]([H:12])[c:6]([H:13])[c:7]1[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([N+:2]1([H:11])[C:3](=[C:7]([C:6](=[N:5][H:12])[H:13])[H:14])[N-:4]1)([H:8])([H:9])[H:10],"InChI=1S/C4H7N3/c1-5-4-2-3-6-7-4/h2-3H,1H3,(H2,5,6,7)","InChI=1S/C4H7N3/c1-7-4(6-7)2-3-5/h2-3,5,7H,1H3",69.76105,66.079,
12846,[C:1]([N:2]([c:3]1[n:4][n:5]([H:12])[c:6]([H:13])[c:7]1[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([N:2]([c:3]1[n:4]([H:12])[n:5][c:6]([H:13])[c:7]1[H:14])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H7N3/c1-5-4-2-3-6-7-4/h2-3H,1H3,(H2,5,6,7)","InChI=1S/C4H7N3/c1-5-4-2-3-6-7-4/h2-3H,1H3,(H2,5,6,7)",42.34837,1.74543,
12847,[C:1]([N:2]([c:3]1[n:4][n:5]([H:12])[c:6]([H:13])[c:7]1[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([N:2]([C:3]1=[C:7]([H:14])[C:6]([H:12])([H:13])[N:5]=[N:4]1)[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H7N3/c1-5-4-2-3-6-7-4/h2-3H,1H3,(H2,5,6,7)","InChI=1S/C4H7N3/c1-5-4-2-3-6-7-4/h2,5H,3H2,1H3",44.05215,24.73958,
12848,[C:1]([N:2]([c:3]1[n:4][n:5]([H:12])[c:6]([H:13])[c:7]1[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([N:2]=[C:3]1[N-:4][N:5]([H:12])[C+:6]([H:13])[C:7]1([H:11])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C4H7N3/c1-5-4-2-3-6-7-4/h2-3H,1H3,(H2,5,6,7)","InChI=1S/C4H7N3/c1-5-4-2-3-6-7-4/h3,6H,2H2,1H3",77.28135,33.56589,
12849,[C:1]([N:2]([c:3]1[n:4][n:5]([H:12])[c:6]([H:13])[c:7]1[H:14])[H:11])([H:8])([H:9])[H:10],[C:1](/[N+:2](=[C:7](/[C:3]=[N:4][N:5]([C-:6][H:13])[H:12])[H:14])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H7N3/c1-5-4-2-3-6-7-4/h2-3H,1H3,(H2,5,6,7)","InChI=1S/C4H6N3/c1-5-3-4-7-6-2/h2-3,6H,1H3/q-1/p+1",127.78426,101.17388000000001,
12850,[C:1]([N:2]([c:3]1[n:4][n:5]([H:12])[c:6]([H:13])[c:7]1[H:14])[H:11])([H:8])([H:9])[H:10],[C-:1]([N:2]([C:3]1=[N:4][N+:5]([H:12])=[C:6]([H:13])[C:7]1([H:8])[H:14])[H:11])([H:9])[H:10],"InChI=1S/C4H7N3/c1-5-4-2-3-6-7-4/h2-3H,1H3,(H2,5,6,7)","InChI=1S/C4H6N3/c1-5-4-2-3-6-7-4/h3H,1-2H2,(H,5,7)/q-1/p+1",61.14914,59.113580000000006,
12851,[C:1]([N:2]([c:3]1[n:4][n:5]([H:12])[c:6]([H:13])[c:7]1[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([N:2]([C:3]#[N+:4][N-:5][H:12])[H:11])([H:8])([H:9])[H:10].[C:6](#[C:7][H:14])[H:13],"InChI=1S/C4H7N3/c1-5-4-2-3-6-7-4/h2-3H,1H3,(H2,5,6,7)","InChI=1S/C2H5N3.C2H2/c1-4-2-5-3;1-2/h3-4H,1H3;1-2H",94.31204,95.51402,
12852,[C:1]([N:2]([c:3]1[n:4][n:5]([H:12])[c:6]([H:13])[c:7]1[H:14])[H:11])([H:8])([H:9])[H:10],[C-:1]([N:2]([c:3]1[n:4]([H:8])[n:5]([H:12])[c+:6]([H:13])[c:7]1[H:14])[H:11])([H:9])[H:10],"InChI=1S/C4H7N3/c1-5-4-2-3-6-7-4/h2-3H,1H3,(H2,5,6,7)","InChI=1S/C4H7N3/c1-5-4-2-3-6-7-4/h2-3,5-7H,1H2",80.47015999999999,70.26009,
12853,[C:1]([N:2]([c:3]1[n:4][n:5]([H:12])[c:6]([H:13])[c:7]1[H:14])[H:11])([H:8])([H:9])[H:10],[C:1](/[N+:2](=[C:6](/[C:7](=[C:3]=[N:4][N-:5][H:12])[H:14])[H:13])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H7N3/c1-5-4-2-3-6-7-4/h2-3H,1H3,(H2,5,6,7)","InChI=1S/C4H6N3/c1-6-3-2-4-7-5/h2-3,5H,1H3/q-1/p+1/b6-3+",151.80189,41.76325,
12854,[C:1]([N:2]([c:3]1[n:4][n:5]([H:12])[c:6]([H:13])[c:7]1[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([N:2]([C:3]1=[C+:7][C:6]([H:13])([H:14])[N:5]([H:12])[N-:4]1)[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H7N3/c1-5-4-2-3-6-7-4/h2-3H,1H3,(H2,5,6,7)","InChI=1S/C4H7N3/c1-5-4-2-3-6-7-4/h5-6H,3H2,1H3",74.47625,73.76411999999999,Singlet_Carbene_Intra_Disproportionation
12855,[C:1]([N:2]([c:3]1[n:4][n:5]([H:12])[c:6]([H:13])[c:7]1[H:14])[H:11])([H:8])([H:9])[H:10],[C+:1]([N:2]([C:3]1=[C:7]([H:14])[C:6]([H:8])([H:13])[N:5]([H:12])[N-:4]1)[H:11])([H:9])[H:10],"InChI=1S/C4H7N3/c1-5-4-2-3-6-7-4/h2-3H,1H3,(H2,5,6,7)","InChI=1S/C4H7N3/c1-5-4-2-3-6-7-4/h2,5-6H,1,3H2",110.68096000000001,67.20433,
12856,[C:1]([N:2]([c:3]1[n:4][n:5]([H:12])[c:6]([H:13])[c:7]1[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([N:2]([C:3](/[N:4]=[N:5]/[H:12])=[C:7](/[C:6][H:13])[H:14])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H7N3/c1-5-4-2-3-6-7-4/h2-3H,1H3,(H2,5,6,7)","InChI=1S/C4H7N3/c1-3-4(6-2)7-5/h1,3,5-6H,2H3/b4-3-,7-5+",98.97426999999999,97.40435,
12857,[C:1]([N:2]([c:3]1[n:4][n:5]([H:12])[c:6]([H:13])[c:7]1[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([n:4]1/[c:3](=[N:2]/[H:11])[c:7]([H:14])[c:6]([H:13])[n:5]1[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H7N3/c1-5-4-2-3-6-7-4/h2-3H,1H3,(H2,5,6,7)","InChI=1S/C4H7N3/c1-7-4(5)2-3-6-7/h2-3,5-6H,1H3/b5-4+",75.16891,15.79846,
12858,[C:1]([N:2]([c:3]1[n:4][n:5]([H:12])[c:6]([H:13])[c:7]1[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([N:2]([C:3]1=[C:7]([H:14])[C@:6]2([H:13])[N:4]1[N:5]2[H:12])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H7N3/c1-5-4-2-3-6-7-4/h2-3H,1H3,(H2,5,6,7)","InChI=1S/C4H7N3/c1-5-3-2-4-6-7(3)4/h2,4-6H,1H3/t4-,7?/m0/s1",93.22385,76.20756999999999,
12859,[C:1]([N:2]([c:3]1[n:4][n:5]([H:12])[c:6]([H:13])[c:7]1[H:14])[H:11])([H:8])([H:9])[H:10],[C-:1]([N+:2]([c:3]1[n:4][n:5]([H:12])[c:6]([H:13])[c:7]1[H:14])([H:8])[H:11])([H:9])[H:10],"InChI=1S/C4H7N3/c1-5-4-2-3-6-7-4/h2-3H,1H3,(H2,5,6,7)","InChI=1S/C4H7N3/c1-5-4-2-3-6-7-4/h2-3H,1,5H2,(H,6,7)",81.88058000000001,71.64625,
12860,[C:1]([c:2]1[c:3]([H:11])[o:4][c:5]([O:6][H:12])[n:7]1)([H:8])([H:9])[H:10],[C:1](=[C:2]1[C-:3]([H:11])[O+:4]=[C:5]([O:6][H:12])[N:7]1[H:10])([H:8])[H:9],"InChI=1S/C4H5NO2/c1-3-2-7-4(6)5-3/h2H,1H3,(H,5,6)","InChI=1S/C4H5NO2/c1-3-2-7-4(6)5-3/h2,5-6H,1H2",80.72029,57.4615,
12861,[C:1]([c:2]1[c:3]([H:11])[o:4][c:5]([O:6][H:12])[n:7]1)([H:8])([H:9])[H:10],[C:1]([C:3](=[C:2]=[N:7][C:5](=[O:4])[O:6][H:12])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H5NO2/c1-3-2-7-4(6)5-3/h2H,1H3,(H,5,6)","InChI=1S/C4H5NO2/c1-2-3-5-4(6)7/h2H,1H3,(H,6,7)",66.41243,12.1174,
12862,[C:1]([c:2]1[c:3]([H:11])[o:4][c:5]([O:6][H:12])[n:7]1)([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3])[N:7]=[C:5]([O:4][H:11])[O:6][H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H5NO2/c1-3-2-7-4(6)5-3/h2H,1H3,(H,5,6)","InChI=1S/C4H5NO2/c1-3(2)5-4(6)7/h1H3,(H2,5,6,7)",85.71159,83.14242,
12863,[C:1]([c:2]1[c:3]([H:11])[o:4][c:5]([O:6][H:12])[n:7]1)([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:3]([H:11])[N:7]1[C:5](=[O:4])[O:6][H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H5NO2/c1-3-2-7-4(6)5-3/h2H,1H3,(H,5,6)","InChI=1S/C4H5NO2/c1-3-2-5(3)4(6)7/h2H,1H3,(H,6,7)",68.08678,56.135580000000004,ketoenol
12864,[C:1]([c:2]1[c:3]([H:11])[o:4][c:5]([O:6][H:12])[n:7]1)([H:8])([H:9])[H:10],[C:1]1([H:8])([H:9])[C:2](=[N:7][C:5](=[O:4])[O:6][H:12])[C:3]1([H:10])[H:11],"InChI=1S/C4H5NO2/c1-3-2-7-4(6)5-3/h2H,1H3,(H,5,6)","InChI=1S/C4H5NO2/c6-4(7)5-3-1-2-3/h1-2H2,(H,6,7)",73.05295,23.2131,
12865,[C:1]([c:2]1[c:3]([H:11])[o:4][c:5]([O:6][H:12])[n:7]1)([H:8])([H:9])[H:10],[C:1]([C:2]#[C:3][H:11])([H:8])([H:9])[H:10].[O:4]=[C:5]=[N:7][O:6][H:12],"InChI=1S/C4H5NO2/c1-3-2-7-4(6)5-3/h2H,1H3,(H,5,6)","InChI=1S/C3H4.CHNO2/c1-3-2;3-1-2-4/h1H,2H3;4H",97.94844,86.99088,
12866,[C:1]([c:2]1[c:3]([H:11])[o:4][c:5]([O:6][H:12])[n:7]1)([H:8])([H:9])[H:10],[C:1]([N:7]=[C:2]=[C:3]([O+:4]=[C-:5][O:6][H:12])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H5NO2/c1-3-2-7-4(6)5-3/h2H,1H3,(H,5,6)","InChI=1S/C4H5NO2/c1-5-2-3-7-4-6/h3,6H,1H3",133.26979,80.78245,
12867,[C:1]([c:2]1[c:3]([H:11])[o:4][c:5]([O:6][H:12])[n:7]1)([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]=[O:4])/[N:7]=[C:5](/[O:6][H:12])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H5NO2/c1-3-2-7-4(6)5-3/h2H,1H3,(H,5,6)","InChI=1S/C4H5NO2/c1-4(2-6)5-3-7/h3H,1H3,(H,5,7)",123.54968000000001,20.43905,
12868,[C:1]([c:2]1[c:3]([H:11])[o:4][c:5]([O:6][H:12])[n:7]1)([H:8])([H:9])[H:10],[C:1]([c:2]1[c:3]([H:11])[o:4][c:5](=[O:6])[n:7]1[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H5NO2/c1-3-2-7-4(6)5-3/h2H,1H3,(H,5,6)","InChI=1S/C4H5NO2/c1-3-2-7-4(6)5-3/h2H,1H3,(H,5,6)",36.72177,-9.15265,ketoenol
12869,[C:1]([c:2]1[c:3]([H:11])[o:4][c:5]([O:6][H:12])[n:7]1)([H:8])([H:9])[H:10],[C:1]([C-:2]=[N+:7]=[C:5]([O+:4]=[C-:3][H:11])[O:6][H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H5NO2/c1-3-2-7-4(6)5-3/h2H,1H3,(H,5,6)","InChI=1S/C4H5NO2/c1-3-5-4(6)7-2/h2,6H,1H3",140.03521,126.95728000000001,
12870,[C:1]([c:2]1[c:3]([H:11])[o:4][c:5]([O:6][H:12])[n:7]1)([H:8])([H:9])[H:10],[C:1]([C@:2]1([H:11])[C-:3]=[O+:4][C:5]([O:6][H:12])=[N:7]1)([H:8])([H:9])[H:10],"InChI=1S/C4H5NO2/c1-3-2-7-4(6)5-3/h2H,1H3,(H,5,6)","InChI=1S/C4H5NO2/c1-3-2-7-4(6)5-3/h3H,1H3,(H,5,6)/t3-/m1/s1",61.67844,57.018359999999994,Singlet_Carbene_Intra_Disproportionation
12871,[C:1]([c:2]1[c:3]([H:11])[o:4][c:5]([O:6][H:12])[n:7]1)([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:3]([H:11])[O:4]/[C:5]1=[N:7]\[O:6][H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H5NO2/c1-3-2-7-4(6)5-3/h2H,1H3,(H,5,6)","InChI=1S/C4H5NO2/c1-3-2-7-4(3)5-6/h2,6H,1H3/b5-4-",142.49448999999998,75.91935,
12872,[C:1]([c:2]1[c:3]([H:11])[o:4][c:5]([O:6][H:12])[n:7]1)([H:8])([H:9])[H:10],[C:1](=[C:2]1[C:3]([H:10])([H:11])[O:4][C:5]([O:6][H:12])=[N:7]1)([H:8])[H:9],"InChI=1S/C4H5NO2/c1-3-2-7-4(6)5-3/h2H,1H3,(H,5,6)","InChI=1S/C4H5NO2/c1-3-2-7-4(6)5-3/h1-2H2,(H,5,6)",81.07256,8.283669999999999,
12873,[C:1]([c:2]1[c:3]([H:11])[o:4][c:5]([O:6][H:12])[n:7]1)([H:8])([H:9])[H:10],[C:1]([n+:7]1[c-:2][c:3]([H:11])[o:4][c:5]1[O:6][H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H5NO2/c1-3-2-7-4(6)5-3/h2H,1H3,(H,5,6)","InChI=1S/C4H5NO2/c1-5-2-3-7-4(5)6/h3,6H,1H3",110.28606,61.574130000000004,
12874,[C:1]([c:2]1[c:3]([H:11])[o:4][c:5]([O:6][H:12])[n:7]1)([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:3](/[O:4][H:12])[H:11])[N:7]=[C:5]=[O:6])([H:8])([H:9])[H:10],"InChI=1S/C4H5NO2/c1-3-2-7-4(6)5-3/h2H,1H3,(H,5,6)","InChI=1S/C4H5NO2/c1-4(2-6)5-3-7/h2,6H,1H3/b4-2-",51.035790000000006,1.41709,
12875,[C:1](#[C:2][C:3]#[C:4][C@@:5]1([H:9])[C:6]([H:10])([H:11])[O:7]1)[H:8],[C:1]1([H:8])=[C:2]=[C:3]=[C:4]=[C:5]([H:9])[C:6]([H:10])([H:11])[O:7]1,"InChI=1S/C6H4O/c1-2-3-4-6-5-7-6/h1,6H,5H2/t6-/m0/s1","InChI=1S/C6H4O/c1-2-4-6-7-5-3-1/h3,6H,5H2",61.23133000000001,29.661620000000003,
12876,[C:1](#[C:2][C:3]#[C:4][C@@:5]1([H:9])[C:6]([H:10])([H:11])[O:7]1)[H:8],[C:1](#[C:2][C-:3]=[C:4]([C:5]1=[O+:7][C:6]1([H:10])[H:11])[H:9])[H:8],"InChI=1S/C6H4O/c1-2-3-4-6-5-7-6/h1,6H,5H2/t6-/m0/s1","InChI=1S/C6H4O/c1-2-3-4-6-5-7-6/h1,4H,5H2",65.6872,39.62637,
12877,[C:1](#[C:2][C:3]#[C:4][C@@:5]1([H:9])[C:6]([H:10])([H:11])[O:7]1)[H:8],[C:1](#[C:2][C:3]1=[C:4]=[C:5]([H:9])[C:6]([H:10])([H:11])[O:7]1)[H:8],"InChI=1S/C6H4O/c1-2-3-4-6-5-7-6/h1,6H,5H2/t6-/m0/s1","InChI=1S/C6H4O/c1-2-6-4-3-5-7-6/h1,3H,5H2",56.7117,15.20786,
12878,[C:1](#[C:2][C:3]#[C:4][C@@:5]1([H:9])[C:6]([H:10])([H:11])[O:7]1)[H:8],[C:1](=[C:2]=[C:3]=[C:4]=[C:5]1[C:6]([H:10])([H:11])[O:7]1)([H:8])[H:9],"InChI=1S/C6H4O/c1-2-3-4-6-5-7-6/h1,6H,5H2/t6-/m0/s1","InChI=1S/C6H4O/c1-2-3-4-6-5-7-6/h1,5H2",69.84748,0.7640399999999999,Intra_ene_reaction
12879,[C:1](#[C:2][C:3]#[C:4][C@@:5]1([H:9])[C:6]([H:10])([H:11])[O:7]1)[H:8],[C:1]12([H:8])[C:2]3=[C:3]1[C:4]23[C@@:5]1([H:9])[C:6]([H:10])([H:11])[O:7]1,"InChI=1S/C6H4O/c1-2-3-4-6-5-7-6/h1,6H,5H2/t6-/m0/s1","InChI=1S/C6H4O/c1-2(7-1)6-3-4(6)5(3)6/h2-3H,1H2/t2-,3?,6?/m1/s1",90.42254,69.70156999999999,
12880,[C:1](#[C:2][C:3]#[C:4][C@@:5]1([H:9])[C:6]([H:10])([H:11])[O:7]1)[H:8],[C:1](#[C:2][C:3]#[C:4][C:5](=[O+:7][C-:6]([H:10])[H:11])[H:9])[H:8],"InChI=1S/C6H4O/c1-2-3-4-6-5-7-6/h1,6H,5H2/t6-/m0/s1","InChI=1S/C6H4O/c1-3-4-5-6-7-2/h1,6H,2H2",41.03532,24.49236,
12881,[C:1](#[C:2][C:3]#[C:4][C@@:5]1([H:9])[C:6]([H:10])([H:11])[O:7]1)[H:8],[C:1](#[C:2][C:4](=[C:3])[C@@:5]1([H:9])[C:6]([H:10])([H:11])[O:7]1)[H:8],"InChI=1S/C6H4O/c1-2-3-4-6-5-7-6/h1,6H,5H2/t6-/m0/s1","InChI=1S/C6H4O/c1-3-5(2)6-4-7-6/h1,6H,4H2/t6-/m1/s1",55.59806,59.89144,
12882,[C:1](#[C:2][C:3]#[C:4][C@@:5]1([H:9])[C:6]([H:10])([H:11])[O:7]1)[H:8],[C:1]1([H:8])=[C+:2][C:3]2=[C-:4][C@:5]12[H:9].[C:6](=[O:7])([H:10])[H:11],"InChI=1S/C6H4O/c1-2-3-4-6-5-7-6/h1,6H,5H2/t6-/m0/s1","InChI=1S/C5H2.CH2O/c1-2-5-3-4(1)5;1-2/h1,4H;1H2/t4-;/m0./s1",122.17486000000001,112.77036000000001,
12883,[C:1](#[C:2][C:3]#[C:4][C@@:5]1([H:9])[C:6]([H:10])([H:11])[O:7]1)[H:8],[C:1](#[C:2][C:3](=[C:4]=[C:5]1[C:6]([H:10])([H:11])[O:7]1)[H:9])[H:8],"InChI=1S/C6H4O/c1-2-3-4-6-5-7-6/h1,6H,5H2/t6-/m0/s1","InChI=1S/C6H4O/c1-2-3-4-6-5-7-6/h1,3H,5H2",89.86166,8.078389999999999,
12884,[C:1](#[C:2][C:3]#[C:4][C@@:5]1([H:9])[C:6]([H:10])([H:11])[O:7]1)[H:8],[C:1](=[C:2]=[C:3]=[C:4]=[C:5]([C:6](=[O:7])[H:11])[H:9])([H:8])[H:10],"InChI=1S/C6H4O/c1-2-3-4-6-5-7-6/h1,6H,5H2/t6-/m0/s1","InChI=1S/C6H4O/c1-2-3-4-5-6-7/h5-6H,1H2",76.16413,-30.921490000000002,
12885,[C:1](#[C:2][C:3]#[C:4][C@@:5]1([H:9])[C:6]([H:10])([H:11])[O:7]1)[H:8],[C-:1]#[C:2][C+:3]=[C:4]([C@@:5]1([H:9])[C:6]([H:10])([H:11])[O:7]1)[H:8],"InChI=1S/C6H4O/c1-2-3-4-6-5-7-6/h1,6H,5H2/t6-/m0/s1","InChI=1S/C6H4O/c1-2-3-4-6-5-7-6/h4,6H,5H2/t6-/m0/s1",99.5446,47.201640000000005,
12886,[C:1](#[C:2][C:3]#[C:4][C@@:5]1([H:9])[C:6]([H:10])([H:11])[O:7]1)[H:8],[C:1](#[C:2][C:3]1=[C:4]=[C:5]([H:9])[O:7][C:6]1([H:10])[H:11])[H:8],"InChI=1S/C6H4O/c1-2-3-4-6-5-7-6/h1,6H,5H2/t6-/m0/s1","InChI=1S/C6H4O/c1-2-6-3-4-7-5-6/h1,4H,5H2",75.20883,11.83395,
12887,[C:1](#[C:2][C:3]#[C:4][C@@:5]1([H:9])[C:6]([H:10])([H:11])[O:7]1)[H:8],[C:1](=[C-:2])([C:4](=[C+:3])[C@@:5]1([H:9])[C:6]([H:10])([H:11])[O:7]1)[H:8],"InChI=1S/C6H4O/c1-2-3-4-6-5-7-6/h1,6H,5H2/t6-/m0/s1","InChI=1S/C6H4O/c1-3-5(2)6-4-7-6/h3,6H,4H2/t6-/m1/s1",100.39705,113.11588,
12888,[C:1](#[C:2][C:3]#[C:4][C@@:5]1([H:9])[C:6]([H:10])([H:11])[O:7]1)[H:8],[C:1]1([H:8])=[C:5]([H:9])[C:4]([O+:7]=[C:6]([H:10])[H:11])=[C:3]=[C-:2]1,"InChI=1S/C6H4O/c1-2-3-4-6-5-7-6/h1,6H,5H2/t6-/m0/s1","InChI=1S/C6H4O/c1-7-6-4-2-3-5-6/h2,4H,1H2",106.74236,64.40708000000001,
12889,[C:1](#[C:2][C:3]#[C:4][C@@:5]1([H:9])[C:6]([H:10])([H:11])[O:7]1)[H:8],[C:1](#[C:2][C:3]1=[C:4]=[C:5]1[H:9])[H:8].[C:6](=[O:7])([H:10])[H:11],"InChI=1S/C6H4O/c1-2-3-4-6-5-7-6/h1,6H,5H2/t6-/m0/s1","InChI=1S/C5H2.CH2O/c1-2-5-3-4-5;1-2/h1,3H;1H2",75.00694,47.84568,
12890,[C:1]([C@@:2]1([H:11])[C@:3]([C:4]([H:13])([H:14])[H:15])([H:12])[C@:5]1([C:6]#[C:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])[C:4]([H:13])([H:14])[C:7]([H:15])([H:17])[C:6][C@@:5]12[H:16])([H:8])([H:9])[H:10],"InChI=1S/C7H10/c1-4-7-5(2)6(7)3/h1,5-7H,2-3H3/t5-,6+,7-","InChI=1S/C7H10/c1-5-6-3-2-4-7(5)6/h5-7H,2-3H2,1H3/t5-,6+,7-/m0/s1",73.23808000000001,41.09811,
12891,[C:1]([C@@:2]1([H:11])[C@:3]([C:4]([H:13])([H:14])[H:15])([H:12])[C@:5]1([C:6]#[C:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1]([C@:2]1([H:11])[C@@:3]([C:4]([H:13])([H:14])[H:15])([H:12])/[C:5]1=[C:6](\[C:7][H:17])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C7H10/c1-4-7-5(2)6(7)3/h1,5-7H,2-3H3/t5-,6+,7-","InChI=1S/C7H10/c1-4-7-5(2)6(7)3/h1,4-6H,2-3H3/b7-4-/t5-,6+/m1/s1",74.1795,67.02575,
12892,[C:1]([C@@:2]1([H:11])[C@:3]([C:4]([H:13])([H:14])[H:15])([H:12])[C@:5]1([C:6]#[C:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]([C:3](=[C:4]([H:14])[H:15])[H:12])([C:5](=[C:6]=[C:7]([H:13])[H:17])[H:16])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C7H10/c1-4-7-5(2)6(7)3/h1,5-7H,2-3H3/t5-,6+,7-","InChI=1S/C7H10/c1-4-6-7(3)5-2/h5-7H,1-2H2,3H3/t7-/m0/s1",28.143959999999996,-7.43147,
12893,[C:1]([C@@:2]1([H:11])[C@:3]([C:4]([H:13])([H:14])[H:15])([H:12])[C@:5]1([C:6]#[C:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C@:3]([C:4]([H:13])([H:14])[H:15])([H:12])[C+:5]([H:16])[C:6]1=[C-:7][H:17])([H:8])([H:9])[H:10],"InChI=1S/C7H10/c1-4-7-5(2)6(7)3/h1,5-7H,2-3H3/t5-,6+,7-","InChI=1S/C7H10/c1-5-4-6(2)7(5)3/h1,4,6-7H,2-3H3/t6-,7+/m0/s1",57.82185,59.426840000000006,
12894,[C:1]([C@@:2]1([H:11])[C@:3]([C:4]([H:13])([H:14])[H:15])([H:12])[C@:5]1([C:6]#[C:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]([C:3]([C:4]([H:13])([H:14])[H:15])([H:12])[H:16])([C-:5]=[C:6]=[C+:7][H:17])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C7H10/c1-4-7-5(2)6(7)3/h1,5-7H,2-3H3/t5-,6+,7-","InChI=1S/C7H10/c1-4-6-7(3)5-2/h1,7H,5H2,2-3H3/t7-/m0/s1",59.807030000000005,54.5416,
12895,[C:1]([C@@:2]1([H:11])[C@:3]([C:4]([H:13])([H:14])[H:15])([H:12])[C@:5]1([C:6]#[C:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1]([C:2][C@@:5]([C:3]([C:4]([H:13])([H:14])[H:15])([H:11])[H:12])([C:6]#[C:7][H:17])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C7H10/c1-4-7-5(2)6(7)3/h1,5-7H,2-3H3/t5-,6+,7-","InChI=1S/C7H10/c1-4-7(5-2)6-3/h1,7H,5H2,2-3H3/t7-/m1/s1",67.78995,70.4252,
12896,[C:1]([C@@:2]1([H:11])[C@:3]([C:4]([H:13])([H:14])[H:15])([H:12])[C@:5]1([C:6]#[C:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:5](\[C:6]#[C:7][H:17])[H:16])[H:11])([H:8])([H:9])[H:10].[C:3](=[C:4]([H:13])[H:15])([H:12])[H:14],"InChI=1S/C7H10/c1-4-7-5(2)6(7)3/h1,5-7H,2-3H3/t5-,6+,7-","InChI=1S/C5H6.C2H4/c1-3-5-4-2;1-2/h1,4-5H,2H3;1-2H2/b5-4-;",65.89131,14.466529999999999,
12897,[C:1]([C@@:2]1([H:11])[C@:3]([C:4]([H:13])([H:14])[H:15])([H:12])[C@:5]1([C:6]#[C:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1]1([H:8])([H:9])[C@@:2]2([H:11])[C@:3]([C:4]([H:13])([H:14])[H:15])([H:12])[C@@:5]2([H:16])[C:6]1=[C:7]([H:10])[H:17],"InChI=1S/C7H10/c1-4-7-5(2)6(7)3/h1,5-7H,2-3H3/t5-,6+,7-","InChI=1S/C7H10/c1-4-3-6-5(2)7(4)6/h5-7H,1,3H2,2H3/t5-,6+,7-/m1/s1",86.86296999999999,-5.24969,
12898,[C:1]([C@@:2]1([H:11])[C@:3]([C:4]([H:13])([H:14])[H:15])([H:12])[C@:5]1([C:6]#[C:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C@:3]([C:4]([H:13])([H:14])[H:15])([H:12])[C:5]1=[C:6]=[C:7]([H:16])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C7H10/c1-4-7-5(2)6(7)3/h1,5-7H,2-3H3/t5-,6+,7-","InChI=1S/C7H10/c1-4-7-5(2)6(7)3/h5-6H,1H2,2-3H3/t5-,6+",88.88259000000001,1.11952,
12899,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])/[C:5](=[N:6]/[H:14])[O:7]1)([H:8])([H:9])[H:10],[C:1](/[C:5]([C:4]([O:3][C:2](=[O:7])[H:11])([H:12])[H:13])=[N:6]\[H:14])([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-3-6-2-4(5)7-3/h3,5H,2H2,1H3/b5-4-/t3-/m0/s1","InChI=1S/C4H7NO2/c1-4(5)2-7-3-6/h3,5H,2H2,1H3/b5-4+",80.50535,-3.2929800000000005,
12900,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])/[C:5](=[N:6]/[H:14])[O:7]1)([H:8])([H:9])[H:10],[C:1]([O:3][C:4](/[C:5](=[N:6]/[H:14])[O+:7]=[C-:2][H:11])([H:12])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-3-6-2-4(5)7-3/h3,5H,2H2,1H3/b5-4-/t3-/m0/s1","InChI=1S/C4H7NO2/c1-6-3-4(5)7-2/h2,5H,3H2,1H3/b5-4-",112.3338,87.29341,
12901,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])/[C:5](=[N:6]/[H:14])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C@@:2]([O:3][C:4]([C:5]#[N:6])([H:12])[H:13])([O:7][H:14])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-3-6-2-4(5)7-3/h3,5H,2H2,1H3/b5-4-/t3-/m0/s1","InChI=1S/C4H7NO2/c1-4(6)7-3-2-5/h4,6H,3H2,1H3/t4-/m1/s1",61.40152,8.191989999999999,
12902,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])/[C:5](=[N:6]/[H:14])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:13])=[C:5]([N:6]([H:12])[H:14])[O:7]1)([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-3-6-2-4(5)7-3/h3,5H,2H2,1H3/b5-4-/t3-/m0/s1","InChI=1S/C4H7NO2/c1-3-6-2-4(5)7-3/h2-3H,5H2,1H3/t3-/m0/s1",70.92194,15.82112,
12903,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])/[C:5](=[N:6]/[H:14])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C:2](=[O:3])[H:11])([H:8])([H:9])[H:10].[C:4]1([H:12])([H:13])[C:5](=[O:7])[N:6]1[H:14],"InChI=1S/C4H7NO2/c1-3-6-2-4(5)7-3/h3,5H,2H2,1H3/b5-4-/t3-/m0/s1","InChI=1S/C2H3NO.C2H4O/c4-2-1-3-2;1-2-3/h1H2,(H,3,4);2H,1H3",46.26789,35.75823,
12904,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])/[C:5](=[N:6]/[H:14])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C:5](=[O:7])[N:6]1[H:14])([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-3-6-2-4(5)7-3/h3,5H,2H2,1H3/b5-4-/t3-/m0/s1","InChI=1S/C4H7NO2/c1-3-5-4(6)2-7-3/h3H,2H2,1H3,(H,5,6)/t3-/m1/s1",47.57349,-10.79267,ketoenol
12905,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])/[C:5](=[N:6]/[H:14])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C-:2]=[O+:7]/[C:5]([C:4]([O:3][H:11])([H:12])[H:13])=[N:6]\[H:14])([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-3-6-2-4(5)7-3/h3,5H,2H2,1H3/b5-4-/t3-/m0/s1","InChI=1S/C4H7NO2/c1-2-7-4(5)3-6/h5-6H,3H2,1H3/b5-4-",62.54339,60.18552,
12906,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])/[C:5](=[N:6]/[H:14])[O:7]1)([H:8])([H:9])[H:10],[C:1]([c:2]1[o+:3][c:4]([H:12])[c:5]([N-:6][H:14])[o:7]1)([H:8])([H:9])[H:10].[H:11][H:13],"InChI=1S/C4H7NO2/c1-3-6-2-4(5)7-3/h3,5H,2H2,1H3/b5-4-/t3-/m0/s1","InChI=1S/C4H5NO2.H2/c1-3-6-2-4(5)7-3;/h2,5H,1H3;1H",59.073809999999995,46.564,
12907,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])/[C:5](=[N:6]/[H:14])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C:2](=[O+:3][C-:4]([H:12])[H:13])[H:11])([H:8])([H:9])[H:10].[C:5](=[N:6][H:14])=[O:7],"InChI=1S/C4H7NO2/c1-3-6-2-4(5)7-3/h3,5H,2H2,1H3/b5-4-/t3-/m0/s1","InChI=1S/C3H6O.CHNO/c1-3-4-2;2-1-3/h3H,2H2,1H3;2H",50.88851,57.61835,
12908,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])/[C:5](=[N:6]/[H:14])[O:7]1)([H:8])([H:9])[H:10],[C:1]([O:7]/[C:5]([C:4]([O+:3]=[C-:2][H:11])([H:12])[H:13])=[N:6]\[H:14])([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-3-6-2-4(5)7-3/h3,5H,2H2,1H3/b5-4-/t3-/m0/s1","InChI=1S/C4H7NO2/c1-6-3-4(5)7-2/h1,5H,3H2,2H3/b5-4-",116.31391,78.82549,
12909,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])/[C:5](=[N:6]/[H:14])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[O:3][N:6]([H:14])[C:5](=[C:4]([H:12])[H:13])[O:7]1)([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-3-6-2-4(5)7-3/h3,5H,2H2,1H3/b5-4-/t3-/m0/s1","InChI=1S/C4H7NO2/c1-3-5-7-4(2)6-3/h4-5H,1H2,2H3/t4-/m1/s1",66.6798,46.84908,
12910,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])/[C:5](=[N:6]/[H:14])[O:7]1)([H:8])([H:9])[H:10],[C-:2]1=[O+:3][C:4]([H:12])([H:13])/[C:5](=[N:6]/[H:14])[O:7]1.[C:1]([H:8])([H:9])([H:10])[H:11],"InChI=1S/C4H7NO2/c1-3-6-2-4(5)7-3/h3,5H,2H2,1H3/b5-4-/t3-/m0/s1","InChI=1S/C3H3NO2.CH4/c4-3-1-5-2-6-3;/h4H,1H2;1H4/b4-3-;",71.5012,40.21506,
12911,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])/[C:5](=[N:6]/[H:14])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C:2](=[O+:7][C:5](=[C:4]([O:3][H:12])[H:13])[N-:6][H:14])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-3-6-2-4(5)7-3/h3,5H,2H2,1H3/b5-4-/t3-/m0/s1","InChI=1S/C4H7NO2/c1-2-7-4(5)3-6/h2-3,5-6H,1H3",77.35656,66.92055,
12912,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])/[C:5](=[N:6]/[H:14])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[O+:3]=[C-:4]/[C:5](=[N:6]/[H:14])[O:7]1)([H:8])([H:9])[H:10].[H:12][H:13],"InChI=1S/C4H7NO2/c1-3-6-2-4(5)7-3/h3,5H,2H2,1H3/b5-4-/t3-/m0/s1","InChI=1S/C4H5NO2.H2/c1-3-6-2-4(5)7-3;/h3,5H,1H3;1H/b5-4-;/t3-;/m0./s1",75.18934,68.67300999999999,
12913,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])/[C:5](=[N:6]/[H:14])[O:7]1)([H:8])([H:9])[H:10],[C:1]([C:2](=[O:7])[H:11])([H:8])([H:9])[H:10].[C:5]=[N:6][H:14].[O:3]=[C:4]([H:12])[H:13],"InChI=1S/C4H7NO2/c1-3-6-2-4(5)7-3/h3,5H,2H2,1H3/b5-4-/t3-/m0/s1","InChI=1S/C2H4O.CHN.CH2O/c1-2-3;2*1-2/h2H,1H3;2H;1H2",57.103359999999995,57.718619999999994,
12914,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])/[C:5](=[N:6]/[H:14])[O:7]1)([H:8])([H:9])[H:10],[C:1]1([H:9])([H:10])[C:2]([H:8])([H:11])[O:7]/[C:5](=[N:6]\[H:14])[C:4]([H:12])([H:13])[O:3]1,"InChI=1S/C4H7NO2/c1-3-6-2-4(5)7-3/h3,5H,2H2,1H3/b5-4-/t3-/m0/s1","InChI=1S/C4H7NO2/c5-4-3-6-1-2-7-4/h5H,1-3H2/b5-4-",91.77409,11.4897,
12915,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])/[C:5](=[N:6]/[H:14])[O:7]1)([H:8])([H:9])[H:10],[C:1](=[C:2]([O:7]/[C:5]([C:4](=[O:3])[H:13])=[N:6]\[H:14])[H:11])([H:9])[H:10].[H:8][H:12],"InChI=1S/C4H7NO2/c1-3-6-2-4(5)7-3/h3,5H,2H2,1H3/b5-4-/t3-/m0/s1","InChI=1S/C4H5NO2.H2/c1-2-7-4(5)3-6;/h2-3,5H,1H2;1H/b5-4-;",73.65359000000001,38.427009999999996,
12916,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])/[C:5](=[N:6]/[H:14])[O:7]1)([H:8])([H:9])[H:10],[C:1]([O:7][C:2](=[O:3])[H:11])([H:8])([H:9])[H:10].[C:4](=[C:5]=[N:6][H:14])([H:12])[H:13],"InChI=1S/C4H7NO2/c1-3-6-2-4(5)7-3/h3,5H,2H2,1H3/b5-4-/t3-/m0/s1","InChI=1S/C2H3N.C2H4O2/c1-2-3;1-4-2-3/h3H,1H2;2H,1H3",96.58205,27.06655,
12917,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])/[C:5](=[N:6]/[H:14])[O:7]1)([H:8])([H:9])[H:10],[C:1](=[C:2]([O:3][C:4](/[C:5](=[N:6]/[H:14])[O:7][H:8])([H:12])[H:13])[H:11])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-3-6-2-4(5)7-3/h3,5H,2H2,1H3/b5-4-/t3-/m0/s1","InChI=1S/C4H7NO2/c1-2-7-3-4(5)6/h2H,1,3H2,(H2,5,6)",43.42107,11.15419,
12918,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])/[C:5](=[N:6]/[H:14])[O:7]1)([H:8])([H:9])[H:10],[C:1](=[C:2]1[O:3][C:4]([H:12])([H:13])/[C:5](=[N:6]/[H:14])[O:7]1)([H:9])[H:10].[H:8][H:11],"InChI=1S/C4H7NO2/c1-3-6-2-4(5)7-3/h3,5H,2H2,1H3/b5-4-/t3-/m0/s1","InChI=1S/C4H5NO2.H2/c1-3-6-2-4(5)7-3;/h5H,1-2H2;1H/b5-4-;",98.48321999999999,26.1953,
12919,[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])/[C:5](=[N:6]/[H:14])[O:7]1)([H:8])([H:9])[H:10],[C:1](=[C:2]([O:3][C:4]([C:5]([N:6]([H:8])[H:14])=[O:7])([H:12])[H:13])[H:11])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-3-6-2-4(5)7-3/h3,5H,2H2,1H3/b5-4-/t3-/m0/s1","InChI=1S/C4H7NO2/c1-2-7-3-4(5)6/h2H,1,3H2,(H2,5,6)",45.6299,2.38427,
12920,[C:1]([O:2][C@@:3]1([H:11])[C@@:4]2([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([O:2][C@@:3]1([H:11])[C@:4]([C:5]([H:13])([H:14])[H:15])([H:12])[C@:7]1([C:6][H:16])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-7-6-4-2-3-5(4)6/h4-6H,2-3H2,1H3/t4-,5+,6-","InChI=1S/C6H10O/c1-4-5(2)6(4)7-3/h1,4-6H,2-3H3/t4-,5+,6-/m1/s1",75.91056,61.01053,
12921,[C:1]([O:2][C@@:3]1([H:11])[C@@:4]2([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([O:2][C@@:3]1([H:11])[C:4]([H:12])([H:17])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[C:7]1)([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-7-6-4-2-3-5(4)6/h4-6H,2-3H2,1H3/t4-,5+,6-","InChI=1S/C6H10O/c1-7-6-4-2-3-5-6/h6H,2-4H2,1H3/t6-/m0/s1",61.64856999999999,45.03265,
12922,[C:1]([O:2][C@@:3]1([H:11])[C@@:4]2([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([O:2][C@@:3]([C:4]1([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([C:7][H:17])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-7-6-4-2-3-5(4)6/h4-6H,2-3H2,1H3/t4-,5+,6-","InChI=1S/C6H10O/c1-5(7-2)6-3-4-6/h1,5-6H,3-4H2,2H3/t5-/m1/s1",67.34608,72.92913,
12923,[C:1]([O:2][C@@:3]1([H:11])[C@@:4]2([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([O:2][C:6]([C:5]([C:4]1([H:12])[C:3]([H:11])=[C:7]1[H:17])([H:13])[H:14])([H:15])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-7-6-4-2-3-5(4)6/h4-6H,2-3H2,1H3/t4-,5+,6-","InChI=1S/C6H10O/c1-7-5-4-6-2-3-6/h2-3,6H,4-5H2,1H3",81.23055,18.59895,
12924,[C:1]([O:2][C@@:3]1([H:11])[C@@:4]2([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C-:1]([O+:2]=[C:3]1[C@@:4]2([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])[H:9].[H:10][H:11],"InChI=1S/C6H10O/c1-7-6-4-2-3-5(4)6/h4-6H,2-3H2,1H3/t4-,5+,6-","InChI=1S/C6H8O.H2/c1-7-6-4-2-3-5(4)6;/h4-5H,1-3H2;1H/t4-,5+;",73.91739,79.67243,
12925,[C:1]([O:2][C@@:3]1([H:11])[C@@:4]2([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([O:2]/[C:3](=[C:7](\[C:4]1([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])[H:17])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-7-6-4-2-3-5(4)6/h4-6H,2-3H2,1H3/t4-,5+,6-","InChI=1S/C6H10O/c1-7-5-4-6-2-3-6/h4-6H,2-3H2,1H3/b5-4-",67.3501,-8.51644,
12926,[C:1]([O:2][C@@:3]1([H:11])[C@@:4]2([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([O:2][C@@:7]1([H:17])[C@:4]([C:3][H:11])([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-7-6-4-2-3-5(4)6/h4-6H,2-3H2,1H3/t4-,5+,6-","InChI=1S/C6H10O/c1-5-3-4-6(5)7-2/h1,5-6H,3-4H2,2H3/t5-,6+/m0/s1",89.32486999999999,76.19836,
12927,[C:1]([O:2][C@@:3]1([H:11])[C@@:4]2([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1](=[O:2])([H:8])[H:9].[C:3]1([H:11])=[C:4]([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[C:7]1([H:10])[H:17],"InChI=1S/C6H10O/c1-7-6-4-2-3-5(4)6/h4-6H,2-3H2,1H3/t4-,5+,6-","InChI=1S/C5H8.CH2O/c1-2-4-5-3-1;1-2/h1-2H,3-5H2;1H2",33.65932,-20.16345,
12928,[C:1]([O:2][C@@:3]1([H:11])[C@@:4]2([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([O:2][C@@:3]1([H:11])[C@:4]([C:5]([C:6][H:15])([H:13])[H:14])([H:12])[C:7]1([H:16])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-7-6-4-2-3-5(4)6/h4-6H,2-3H2,1H3/t4-,5+,6-","InChI=1S/C6H10O/c1-3-5-4-6(5)7-2/h1,5-6H,3-4H2,2H3/t5-,6+/m0/s1",79.19458,78.17914,
12929,[C:1]([O:2][C@@:3]1([H:11])[C@@:4]2([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1](=[O:2])([H:8])[H:9].[C:3]1([H:11])=[C:7]([H:17])[C:4]1([C:5]([C:6]([H:10])([H:15])[H:16])([H:13])[H:14])[H:12],"InChI=1S/C6H10O/c1-7-6-4-2-3-5(4)6/h4-6H,2-3H2,1H3/t4-,5+,6-","InChI=1S/C5H8.CH2O/c1-2-5-3-4-5;1-2/h3-5H,2H2,1H3;1H2",82.14799000000001,24.48235,
12930,[C:1]([O:2][C@@:3]1([H:11])[C@@:4]2([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]([C@@:4]1([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[C:7]1)([H:11])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-7-6-4-2-3-5(4)6/h4-6H,2-3H2,1H3/t4-,5+,6-","InChI=1S/C6H10O/c1-7-5-6-3-2-4-6/h6H,2-3,5H2,1H3/t6-/m0/s1",66.84284,68.81600999999999,
12931,[C:1]([O:2][C@@:3]1([H:11])[C@@:4]2([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1](=[O+:2][C:3]([C@@:7]1([H:17])[C-:4]([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:10])[H:11])([H:8])[H:9],"InChI=1S/C6H10O/c1-7-6-4-2-3-5(4)6/h4-6H,2-3H2,1H3/t4-,5+,6-","InChI=1S/C6H10O/c1-7-5-6-3-2-4-6/h3,6H,1-2,4-5H2/t6-/m0/s1",83.23543000000001,65.91493,
12932,[C:1]([O:2][C@@:3]1([H:11])[C@@:4]2([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([O+:2]=[C:3]([C@@:4]1([H:12])[C-:5]([H:13])[C:6]([H:15])([H:16])[C:7]1([H:14])[H:17])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-7-6-4-2-3-5(4)6/h4-6H,2-3H2,1H3/t4-,5+,6-","InChI=1S/C6H10O/c1-7-5-6-3-2-4-6/h3,5-6H,2,4H2,1H3/t6-/m0/s1",106.78927,58.062259999999995,
12933,[C:1]([O:2][C@@:3]1([H:11])[C@@:4]2([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([O+:2]=[C-:3][C:4]1([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[C:7]1([H:11])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-7-6-4-2-3-5(4)6/h4-6H,2-3H2,1H3/t4-,5+,6-","InChI=1S/C6H10O/c1-7-5-6-3-2-4-6/h6H,2-4H2,1H3",52.37573,33.40139,
12934,[C:1]([O:2][C@@:3]1([H:11])[C@@:4]2([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]([C:4](=[C:5]([H:13])[H:14])[H:12])([C:7](=[C:6]([H:15])[H:16])[H:17])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-7-6-4-2-3-5(4)6/h4-6H,2-3H2,1H3/t4-,5+,6-","InChI=1S/C6H10O/c1-4-6(5-2)7-3/h4-6H,1-2H2,3H3",69.78331,-10.6869,
12935,[C:1]([O:2][C@@:3]1([H:11])[C@@:4]2([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C-:1]([O+:2]=[C:3]([C:4]1([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[C:7]1([H:10])[H:17])[H:11])([H:8])[H:9],"InChI=1S/C6H10O/c1-7-6-4-2-3-5(4)6/h4-6H,2-3H2,1H3/t4-,5+,6-","InChI=1S/C6H10O/c1-7-5-6-3-2-4-6/h5-6H,1-4H2",63.9903,34.25635,
12936,[C:1]([O:2][C@@:3]1([H:11])[C@@:4]2([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([O+:2]=[C:3]1[C:4]([H:11])([H:12])[C@:7]1([C:6]([C-:5]([H:13])[H:14])([H:15])[H:16])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-7-6-4-2-3-5(4)6/h4-6H,2-3H2,1H3/t4-,5+,6-","InChI=1S/C6H10O/c1-3-5-4-6(5)7-2/h5H,1,3-4H2,2H3/t5-/m1/s1",100.95694,58.13851999999999,
12937,[C:1]([O:2][C@@:3]1([H:11])[C@@:4]2([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:7]1([H:17])[C@@:3]2([H:11])[O:2][C@@:4]2([H:12])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-7-6-4-2-3-5(4)6/h4-6H,2-3H2,1H3/t4-,5+,6-","InChI=1S/C6H10O/c1-4-2-3-5-6(4)7-5/h4-6H,2-3H2,1H3/t4-,5+,6-/m1/s1",72.95966,-30.66617,
12938,[C:1]([O:2][C@@:3]1([H:11])[C@@:4]2([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([O:2][C@:3]1([H:11])[C@@:4]([C:7](=[C:6]([H:15])[H:16])[H:17])([H:12])[C:5]1([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-7-6-4-2-3-5(4)6/h4-6H,2-3H2,1H3/t4-,5+,6-","InChI=1S/C6H10O/c1-3-5-4-6(5)7-2/h3,5-6H,1,4H2,2H3/t5-,6+/m1/s1",58.003409999999995,-5.00272,
12939,[C:1]([O:2][C@@:3]1([H:11])[C@@:4]2([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([O:2]/[C:3](=[C:7](\[C:6]([C:5]([C:4][H:12])([H:13])[H:14])([H:15])[H:16])[H:17])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-7-6-4-2-3-5(4)6/h4-6H,2-3H2,1H3/t4-,5+,6-","InChI=1S/C6H10O/c1-3-4-5-6-7-2/h1,5-6H,3-4H2,2H3/b6-5-",62.78839,67.81234,
12940,[C:1]([O:2][C@@:3]1([H:11])[C@@:4]2([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]([C:4]1([H:12])[C-:5]([H:13])[C:6]([H:15])([H:16])[C+:7]1[H:17])([H:11])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-7-6-4-2-3-5(4)6/h4-6H,2-3H2,1H3/t4-,5+,6-","InChI=1S/C6H10O/c1-7-5-6-3-2-4-6/h3-4,6H,2,5H2,1H3",98.09104,71.89317,
12941,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]12[C:4]([H:12])([H:13])[C@@:5]1([H:14])[C:6]([H:15])([H:16])[C@@:7]21[H:17],[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]12[C:4]([H:12])([H:13])[C:5]([H:14])([H:17])[C:6]([H:15])([H:16])[C:7]2,"InChI=1S/C7H10/c1-2-7(1)4-5-3-6(5)7/h5-6H,1-4H2/t5-,6-/m1/s1","InChI=1S/C7H10/c1-2-4-7(3-1)5-6-7/h1-3,5-6H2",58.27093000000001,34.12885,
12942,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]12[C:4]([H:12])([H:13])[C@@:5]1([H:14])[C:6]([H:15])([H:16])[C@@:7]21[H:17],[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]12[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])=[C:7]2[H:17],"InChI=1S/C7H10/c1-2-7(1)4-5-3-6(5)7/h5-6H,1-4H2/t5-,6-/m1/s1","InChI=1S/C7H10/c1-2-4-7(3-1)5-6-7/h1,3H,2,4-6H2",65.22858000000001,-29.807479999999998,
12943,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]12[C:4]([H:12])([H:13])[C@@:5]1([H:14])[C:6]([H:15])([H:16])[C@@:7]21[H:17],[C:1]1([H:8])([H:9])[C@:3]23[C:2]([H:10])([H:11])[C:6]([H:15])([H:16])[C@:5]([H:14])([C:4]2([H:12])[H:13])[C@:7]13[H:17],"InChI=1S/C7H10/c1-2-7(1)4-5-3-6(5)7/h5-6H,1-4H2/t5-,6-/m1/s1","InChI=1S/C7H10/c1-2-7-3-5(1)6(7)4-7/h5-6H,1-4H2/t5-,6+,7+/m1/s1",92.69164,20.80258,
12944,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]12[C:4]([H:12])([H:13])[C@@:5]1([H:14])[C:6]([H:15])([H:16])[C@@:7]21[H:17],[C:1]1([H:8])([H:9])[C:3](=[C:2]([H:10])[H:11])[C:4]([H:12])([H:13])[C:5]1([C:7](=[C:6]([H:15])[H:16])[H:17])[H:14],"InChI=1S/C7H10/c1-2-7(1)4-5-3-6(5)7/h5-6H,1-4H2/t5-,6-/m1/s1","InChI=1S/C7H10/c1-3-7-4-6(2)5-7/h3,7H,1-2,4-5H2",96.60712,-15.19094,
12945,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]12[C:4]([H:12])([H:13])[C@@:5]1([H:14])[C:6]([H:15])([H:16])[C@@:7]21[H:17],[C:1]([C:2]([H:10])([H:11])[H:12])([C:3]1=[C:4]([H:13])[C@@:5]2([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])[H:9],"InChI=1S/C7H10/c1-2-7(1)4-5-3-6(5)7/h5-6H,1-4H2/t5-,6-/m1/s1","InChI=1S/C7H10/c1-2-5-3-6-4-7(5)6/h3,6-7H,2,4H2,1H3/t6-,7-/m0/s1",69.47818000000001,1.8914099999999998,
12946,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]12[C:4]([H:12])([H:13])[C@@:5]1([H:14])[C:6]([H:15])([H:16])[C@@:7]21[H:17],[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]1([C:4]([C@@:5]1([H:14])[C:6]([H:15])([H:16])[C:7]1)([H:12])[H:13])[H:17],"InChI=1S/C7H10/c1-2-7(1)4-5-3-6(5)7/h5-6H,1-4H2/t5-,6-/m1/s1","InChI=1S/C7H10/c1-2-6(1)5-7-3-4-7/h6-7H,1-3,5H2/t7-/m0/s1",70.66011,68.66771999999999,
12947,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]12[C:4]([H:12])([H:13])[C@@:5]1([H:14])[C:6]([H:15])([H:16])[C@@:7]21[H:17],[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]1([C@@:7]1([H:17])[C@:5]([C:4][H:13])([H:14])[C:6]1([H:15])[H:16])[H:12],"InChI=1S/C7H10/c1-2-7(1)4-5-3-6(5)7/h5-6H,1-4H2/t5-,6-/m1/s1","InChI=1S/C7H10/c1-5-4-7(5)6-2-3-6/h1,5-7H,2-4H2/t5-,7+/m0/s1",75.60636,65.8089,
12948,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]12[C:4]([H:12])([H:13])[C@@:5]1([H:14])[C:6]([H:15])([H:16])[C@@:7]21[H:17],[C:1]1([H:8])([H:9])[C+:2]([H:10])[C@:3]12[C:4]([H:12])([H:13])[C-:5]([H:14])[C:6]([H:15])([H:16])[C:7]2([H:11])[H:17],"InChI=1S/C7H10/c1-2-7(1)4-5-3-6(5)7/h5-6H,1-4H2/t5-,6-/m1/s1","InChI=1S/C7H10/c1-2-4-7(3-1)5-6-7/h1,5H,2-4,6H2/t7-/m1/s1",78.04175,48.12794,
12949,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]12[C:4]([H:12])([H:13])[C@@:5]1([H:14])[C:6]([H:15])([H:16])[C@@:7]21[H:17],[C:1]([C-:2]([H:10])[H:11])([C:3]1=[C:7]([H:17])[C:6]([H:15])([H:16])[C+:5]([H:14])[C:4]1([H:12])[H:13])([H:8])[H:9],"InChI=1S/C7H10/c1-2-7(1)4-5-3-6(5)7/h5-6H,1-4H2/t5-,6-/m1/s1","InChI=1S/C7H10/c1-2-7-5-3-4-6-7/h3,6H,1-2,4-5H2",43.51981,48.13138,
12950,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]12[C:4]([H:12])([H:13])[C@@:5]1([H:14])[C:6]([H:15])([H:16])[C@@:7]21[H:17],[C:1](=[C:3]([C:2]([H:10])([H:11])[H:15])[C:4]([C:5]1([H:14])[C:6]([H:16])=[C:7]1[H:17])([H:12])[H:13])([H:8])[H:9],"InChI=1S/C7H10/c1-2-7(1)4-5-3-6(5)7/h5-6H,1-4H2/t5-,6-/m1/s1","InChI=1S/C7H10/c1-6(2)5-7-3-4-7/h3-4,7H,1,5H2,2H3",67.55247,8.144919999999999,
12951,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]12[C:4]([H:12])([H:13])[C@@:5]1([H:14])[C:6]([H:15])([H:16])[C@@:7]21[H:17],[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]1=[C:7]([C:6]([C:5](=[C:4]([H:12])[H:13])[H:14])([H:15])[H:16])[H:17],"InChI=1S/C7H10/c1-2-7(1)4-5-3-6(5)7/h5-6H,1-4H2/t5-,6-/m1/s1","InChI=1S/C7H10/c1-2-3-4-7-5-6-7/h2,4H,1,3,5-6H2",47.36761,-6.06672,
12952,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]12[C:4]([H:12])([H:13])[C@@:5]1([H:14])[C:6]([H:15])([H:16])[C@@:7]21[H:17],[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]1([C:4][H:12])[C:7]1([H:17])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16],"InChI=1S/C7H10/c1-2-7(1)4-5-3-6(5)7/h5-6H,1-4H2/t5-,6-/m1/s1","InChI=1S/C7H10/c1-7(4-5-7)6-2-3-6/h1,6H,2-5H2",77.54599,77.49594,
12953,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]12[C:4]([H:12])([H:13])[C@@:5]1([H:14])[C:6]([H:15])([H:16])[C@@:7]21[H:17],[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]12[C:4]([H:12])([H:13])[C@:7]2([C:6]([C:5][H:14])([H:15])[H:16])[H:17],"InChI=1S/C7H10/c1-2-7(1)4-5-3-6(5)7/h5-6H,1-4H2/t5-,6-/m1/s1","InChI=1S/C7H10/c1-2-6-5-7(6)3-4-7/h1,6H,2-5H2/t6-/m1/s1",75.03894,81.02027,
12954,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]12[C:4]([H:12])([H:13])[C@@:5]1([H:14])[C:6]([H:15])([H:16])[C@@:7]21[H:17],[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]12[C:4]([H:12])([H:13])[C@:5]([C:6]([H:15])([H:16])[H:17])([H:14])[C:7]2,"InChI=1S/C7H10/c1-2-7(1)4-5-3-6(5)7/h5-6H,1-4H2/t5-,6-/m1/s1","InChI=1S/C7H10/c1-6-4-7(5-6)2-3-7/h6H,2-4H2,1H3/t6-/m1/s1",60.52686,57.606390000000005,
12955,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]12[C:4]([H:12])([H:13])[C@@:5]1([H:14])[C:6]([H:15])([H:16])[C@@:7]21[H:17],[C:1](\[C:2]([H:9])([H:10])[H:11])(=[C:3]1/[C:4]([H:12])([H:13])[C@@:5]2([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])[H:8],"InChI=1S/C7H10/c1-2-7(1)4-5-3-6(5)7/h5-6H,1-4H2/t5-,6-/m1/s1","InChI=1S/C7H10/c1-2-5-3-6-4-7(5)6/h2,6-7H,3-4H2,1H3/b5-2-/t6-,7-/m0/s1",66.07621,-10.6566,
12956,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]12[C:4]([H:12])([H:13])[C@@:5]1([H:14])[C:6]([H:15])([H:16])[C@@:7]21[H:17],[C+:1]1([H:9])[C:2]([H:10])([H:11])[C@@:3]1([C:4]([H:8])([H:12])[H:13])[C@@:7]1([H:17])[C-:5]([H:14])[C:6]1([H:15])[H:16],"InChI=1S/C7H10/c1-2-7(1)4-5-3-6(5)7/h5-6H,1-4H2/t5-,6-/m1/s1","InChI=1S/C7H10/c1-7(4-5-7)6-2-3-6/h2,4,6H,3,5H2,1H3/t6-,7-/m0/s1",109.44493999999999,85.33914,
12957,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]12[C:4]([H:12])([H:13])[C@@:5]1([H:14])[C:6]([H:15])([H:16])[C@@:7]21[H:17],[C-:1]([C:2]([C:3](=[C:4]([H:12])[H:13])[C@@:7]1([H:17])[C+:5]([H:14])[C:6]1([H:15])[H:16])([H:10])[H:11])([H:8])[H:9],"InChI=1S/C7H10/c1-2-7(1)4-5-3-6(5)7/h5-6H,1-4H2/t5-,6-/m1/s1","InChI=1S/C7H10/c1-3-6(2)7-4-5-7/h4,7H,1-3,5H2/t7-/m0/s1",75.38632,78.30733000000001,
12958,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]12[C:4]([H:12])([H:13])[C@@:5]1([H:14])[C:6]([H:15])([H:16])[C@@:7]21[H:17],[C:1](=[C:2]([H:10])[H:11])([H:8])[H:9].[C:3]1(=[C:4]([H:12])[H:13])[C@:5]2([H:14])[C:6]([H:15])([H:16])[C@:7]12[H:17],"InChI=1S/C7H10/c1-2-7(1)4-5-3-6(5)7/h5-6H,1-4H2/t5-,6-/m1/s1","InChI=1S/C5H6.C2H4/c1-3-4-2-5(3)4;1-2/h4-5H,1-2H2;1-2H2/t4-,5+;",101.40366,29.268109999999997,
12959,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]12[C:4]([H:12])([H:13])[C@@:5]1([H:14])[C:6]([H:15])([H:16])[C@@:7]21[H:17],[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]1([C:4]([H:12])([H:13])[H:14])[C@@:7]1([H:17])[C:5][C:6]1([H:15])[H:16],"InChI=1S/C7H10/c1-2-7(1)4-5-3-6(5)7/h5-6H,1-4H2/t5-,6-/m1/s1","InChI=1S/C7H10/c1-7(4-5-7)6-2-3-6/h6H,2,4-5H2,1H3/t6-/m1/s1",69.45819,67.3098,
12960,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]12[C:4]([H:12])([H:13])[C@@:5]1([H:14])[C:6]([H:15])([H:16])[C@@:7]21[H:17],[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]12[C:4]([H:12])([H:13])[C:5]([H:14])([H:16])[C@:7]2([C:6][H:15])[H:17],"InChI=1S/C7H10/c1-2-7(1)4-5-3-6(5)7/h5-6H,1-4H2/t5-,6-/m1/s1","InChI=1S/C7H10/c1-6-2-3-7(6)4-5-7/h1,6H,2-5H2/t6-/m1/s1",65.01052,68.30935,
12961,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]12[C:4]([H:12])([H:13])[C@@:5]1([H:14])[C:6]([H:15])([H:16])[C@@:7]21[H:17],[C:1]([C@:3]1([C:2]([H:9])([H:10])[H:11])[C:4]([H:12])([H:13])[C@@:5]2([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])[H:8],"InChI=1S/C7H10/c1-2-7(1)4-5-3-6(5)7/h5-6H,1-4H2/t5-,6-/m1/s1","InChI=1S/C7H10/c1-7(2)4-5-3-6(5)7/h1,5-6H,3-4H2,2H3/t5-,6-,7+/m1/s1",66.05192,72.67768000000001,
12962,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]12[C:4]([H:12])([H:13])[C@@:5]1([H:14])[C:6]([H:15])([H:16])[C@@:7]21[H:17],[C:1]1([H:8])([H:9])[C:2]([H:11])=[C:3]1[C:4]([H:10])([H:12])[H:13].[C:5]1([H:14])=[C:7]([H:17])[C:6]1([H:15])[H:16],"InChI=1S/C7H10/c1-2-7(1)4-5-3-6(5)7/h5-6H,1-4H2/t5-,6-/m1/s1","InChI=1S/C4H6.C3H4/c1-4-2-3-4;1-2-3-1/h2H,3H2,1H3;1-2H,3H2",109.08102,58.9069,
12963,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]12[C:4]([H:12])([H:13])[C@@:5]1([H:14])[C:6]([H:15])([H:16])[C@@:7]21[H:17],[C:1]1([H:8])([H:9])[C:2]([H:10])=[C:3]1[C:4]([C:5]1([H:14])[C:6]([H:16])=[C:7]1[H:17])([H:12])[H:13].[H:11][H:15],"InChI=1S/C7H10/c1-2-7(1)4-5-3-6(5)7/h5-6H,1-4H2/t5-,6-/m1/s1","InChI=1S/C7H8.H2/c1-2-6(1)5-7-3-4-7;/h1-3,6H,4-5H2;1H",102.70642,68.02414,
12964,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]12[C:4]([H:12])([H:13])[C@@:5]1([H:14])[C:6]([H:15])([H:16])[C@@:7]21[H:17],[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]1([C:4]([C:5](=[C:6]([H:15])[H:16])[H:14])([H:12])[H:13])[C:7][H:17],"InChI=1S/C7H10/c1-2-7(1)4-5-3-6(5)7/h5-6H,1-4H2/t5-,6-/m1/s1","InChI=1S/C7H10/c1-3-4-7(2)5-6-7/h2-3H,1,4-6H2",62.6259,59.56436,
12965,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]12[C:4]([H:12])([H:13])[C@@:5]1([H:14])[C:6]([H:15])([H:16])[C@@:7]21[H:17],[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]1=[C:7]([C:5]1([H:14])[C:4]([H:12])([H:13])[C:6]1([H:15])[H:16])[H:17],"InChI=1S/C7H10/c1-2-7(1)4-5-3-6(5)7/h5-6H,1-4H2/t5-,6-/m1/s1","InChI=1S/C7H10/c1-2-6(1)5-7-3-4-7/h5-6H,1-4H2",81.99659,-0.9524100000000001,
12966,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]12[C:4]([H:12])([H:13])[C@@:5]1([H:14])[C:6]([H:15])([H:16])[C@@:7]21[H:17],[C:1](=[C:2]([H:10])[H:11])([H:8])[H:9].[C:3]1[C:4]([H:12])([H:13])[C@@:5]2([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17],"InChI=1S/C7H10/c1-2-7(1)4-5-3-6(5)7/h5-6H,1-4H2/t5-,6-/m1/s1","InChI=1S/C5H6.C2H4/c1-2-5-3-4(1)5;1-2/h4-5H,1,3H2;1-2H2/t4-,5+;/m0./s1",63.45355,71.35905,
12967,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]12[C:4]([H:12])([H:13])[C@@:5]1([H:14])[C:6]([H:15])([H:16])[C@@:7]21[H:17],[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]12[C:4]([H:12])([H:13])[C:5][C:6]([H:15])([H:16])[C:7]2([H:14])[H:17],"InChI=1S/C7H10/c1-2-7(1)4-5-3-6(5)7/h5-6H,1-4H2/t5-,6-/m1/s1","InChI=1S/C7H10/c1-2-4-7(3-1)5-6-7/h1,3-6H2",59.13024,42.4185,
12968,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]12[C:4]([H:12])([H:13])[C@@:5]1([H:14])[C:6]([H:15])([H:16])[C@@:7]21[H:17],[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]1([C:4](=[C:5]([H:12])[H:14])[H:13])[C:7](=[C:6]([H:15])[H:16])[H:17],"InChI=1S/C7H10/c1-2-7(1)4-5-3-6(5)7/h5-6H,1-4H2/t5-,6-/m1/s1","InChI=1S/C7H10/c1-3-7(4-2)5-6-7/h3-4H,1-2,5-6H2",88.0877,-14.1232,
12969,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]12[C:4]([H:12])([H:13])[C@@:5]1([H:14])[C:6]([H:15])([H:16])[C@@:7]21[H:17],[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]12[C:4]([H:12])([H:13])[C:5][C@:7]2([C:6]([H:14])([H:15])[H:16])[H:17],"InChI=1S/C7H10/c1-2-7(1)4-5-3-6(5)7/h5-6H,1-4H2/t5-,6-/m1/s1","InChI=1S/C7H10/c1-6-2-3-7(6)4-5-7/h6H,3-5H2,1H3/t6-/m1/s1",64.12288000000001,65.48167,
12970,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]12[C:4]([H:12])([H:13])[C@@:5]1([H:14])[C:6]([H:15])([H:16])[C@@:7]21[H:17],[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]12[C:4]([H:12])([H:13])[C:5]([H:14])=[C:6]([H:15])[C:7]2([H:16])[H:17],"InChI=1S/C7H10/c1-2-7(1)4-5-3-6(5)7/h5-6H,1-4H2/t5-,6-/m1/s1","InChI=1S/C7H10/c1-2-4-7(3-1)5-6-7/h1-2H,3-6H2",64.56006,55.440709999999996,
12971,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]12[C:4]([H:12])([H:13])[C@@:5]1([H:14])[C:6]([H:15])([H:16])[C@@:7]21[H:17],[C:1](=[C:2]([C:3]1=[C:4]([H:12])[C@@:5]2([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])[H:11])([H:8])[H:9].[H:10][H:13],"InChI=1S/C7H10/c1-2-7(1)4-5-3-6(5)7/h5-6H,1-4H2/t5-,6-/m1/s1","InChI=1S/C7H8.H2/c1-2-5-3-6-4-7(5)6;/h2-3,6-7H,1,4H2;1H/t6-,7-;/m0./s1",96.23488,29.665020000000002,
12972,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[N:4]([H:14])[C:5]([H:15])([H:16])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1](=[C:2]([C:3]([H:11])([H:12])[H:13])[N:4]([C:5]([C:6](=[O:7])[H:10])([H:15])[H:16])[H:14])([H:8])[H:9],"InChI=1S/C5H9NO/c1-5(2)4(7)3-6-5/h6H,3H2,1-2H3","InChI=1S/C5H9NO/c1-5(2)6-3-4-7/h4,6H,1,3H2,2H3",67.52336,1.03122,
12973,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[N:4]([H:14])[C:5]([H:15])([H:16])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([N:4]([C:5][H:15])[H:14])[C:6](=[O:7])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-5(2)4(7)3-6-5/h6H,3H2,1-2H3","InChI=1S/C5H9NO/c1-5(2,4-7)6-3/h3-4,6H,1-2H3",44.01396,39.40403,
12974,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[N:4]([H:14])[C:5]([H:15])([H:16])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C-:6]#[O+:7].[C:1]([C+:2]([C:3]([H:11])([H:12])[H:13])[N:4]([C-:5]([H:15])[H:16])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-5(2)4(7)3-6-5/h6H,3H2,1-2H3","InChI=1S/C4H9N.CO/c1-4(2)5-3;1-2/h5H,3H2,1-2H3;",29.527459999999998,27.76997,
12975,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[N:4]([H:14])[C:5]([H:15])([H:16])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[N+:4]2([H:14])[C:5]([H:15])([H:16])[C-:6]1[O:7]2)([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-5(2)4(7)3-6-5/h6H,3H2,1-2H3","InChI=1S/C5H8NO/c1-5(2)4-3-6(5)7-4/h3H2,1-2H3/q-1/p+1",138.16905,139.65003000000002,
12976,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[N:4]([H:14])[C:5]([H:15])([H:16])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([N+:4]1([H:14])[C:2]([C:3]([H:11])([H:12])[H:13])=[C:6]([O-:7])[C:5]1([H:15])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-5(2)4(7)3-6-5/h6H,3H2,1-2H3","InChI=1S/C5H9NO/c1-4-5(7)3-6(4)2/h7H,3H2,1-2H3",85.08619,30.57719,
12977,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[N:4]([H:14])[C:5]([H:15])([H:16])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[N+:4]([H:14])([H:15])[C:5]([H:16])=[C:6]1[O-:7])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-5(2)4(7)3-6-5/h6H,3H2,1-2H3","InChI=1S/C5H9NO/c1-5(2)4(7)3-6-5/h3,6-7H,1-2H3",56.59666,22.48855,
12978,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[N:4]([H:14])[C:5]([H:15])([H:16])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([C@:2]12[C:3]([H:11])([H:13])[C@@:6]1([O:7][H:12])[C:5]([H:15])([H:16])[N:4]2[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-5(2)4(7)3-6-5/h6H,3H2,1-2H3","InChI=1S/C5H9NO/c1-4-2-5(4,7)3-6-4/h6-7H,2-3H2,1H3/t4-,5+/m0/s1",91.53187,29.16163,
12979,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[N:4]([H:14])[C:5]([H:15])([H:16])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])=[N:4][H:14])([H:8])([H:9])[H:10].[C:5](=[C:6]=[O:7])([H:15])[H:16],"InChI=1S/C5H9NO/c1-5(2)4(7)3-6-5/h6H,3H2,1-2H3","InChI=1S/C3H7N.C2H2O/c1-3(2)4;1-2-3/h4H,1-2H3;1H2",44.35212,3.4384900000000003,
12980,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[N:4]([H:14])[C:5]([H:15])([H:16])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:12].[C:2]1(=[C:3]([H:11])[H:13])[N:4]([H:14])[C:5]([H:15])([H:16])[C:6]1=[O:7],"InChI=1S/C5H9NO/c1-5(2)4(7)3-6-5/h6H,3H2,1-2H3","InChI=1S/C4H5NO.CH4/c1-3-4(6)2-5-3;/h5H,1-2H2;1H4",77.5331,13.511610000000001,
12981,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[N:4]([H:14])[C:5]([H:15])([H:16])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([C:6]([C:5]([N:4]([C:2][C:3]([H:11])([H:12])[H:13])[H:14])([H:15])[H:16])=[O:7])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-5(2)4(7)3-6-5/h6H,3H2,1-2H3","InChI=1S/C5H9NO/c1-3-6-4-5(2)7/h6H,4H2,1-2H3",46.22045,32.52041,
12982,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@@:4]2([O:5][H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15])[H:8],[O:1]([C@@:2]1([H:9])[C@@:4]2([C:3]([O:5][H:12])([H:10])[H:11])[C:6]([H:13])([H:14])[C@@:7]12[H:15])[H:8],"InChI=1S/C5H8O2/c6-4-2-5(7)1-3(4)5/h3-4,6-7H,1-2H2/t3-,4-,5-/m0/s1","InChI=1S/C5H8O2/c6-2-5-1-3(5)4(5)7/h3-4,6-7H,1-2H2/t3-,4+,5+/m0/s1",83.12888000000001,11.52759,
12983,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@@:4]2([O:5][H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15])[H:8],[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C:4]2=[C:6]([H:14])[C@@:7]12[H:15])[H:8].[O:5]([H:12])[H:13],"InChI=1S/C5H8O2/c6-4-2-5(7)1-3(4)5/h3-4,6-7H,1-2H2/t3-,4-,5-/m0/s1","InChI=1S/C5H6O.H2O/c6-5-2-3-1-4(3)5;/h1,4-6H,2H2;1H2/t4-,5+;/m1./s1",80.08827,64.22108,
12984,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@@:4]2([O:5][H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15])[H:8],[O:1]([C@@:2]([C:3][H:10])([C@@:7]1([H:15])[C@@:4]([O:5][H:12])([H:11])[C:6]1([H:13])[H:14])[H:9])[H:8],"InChI=1S/C5H8O2/c6-4-2-5(7)1-3(4)5/h3-4,6-7H,1-2H2/t3-,4-,5-/m0/s1","InChI=1S/C5H8O2/c1-3(6)4-2-5(4)7/h1,3-7H,2H2/t3-,4-,5+/m0/s1",78.15089,76.94906,
12985,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@@:4]2([O:5][H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15])[H:8],[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C:4]([O:5][H:12])=[C:6]([H:14])[C:7]1([H:13])[H:15])[H:8],"InChI=1S/C5H8O2/c6-4-2-5(7)1-3(4)5/h3-4,6-7H,1-2H2/t3-,4-,5-/m0/s1","InChI=1S/C5H8O2/c6-4-1-2-5(7)3-4/h1,5-7H,2-3H2/t5-/m1/s1",60.819959999999995,-31.66817,
12986,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@@:4]2([O:5][H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15])[H:8],[C:4]1([O:5][H:12])=[C:7]([H:15])[C:6]1([H:13])[H:14].[O:1]([C:2](=[C:3]([H:10])[H:11])[H:9])[H:8],"InChI=1S/C5H8O2/c6-4-2-5(7)1-3(4)5/h3-4,6-7H,1-2H2/t3-,4-,5-/m0/s1","InChI=1S/C3H4O.C2H4O/c4-3-1-2-3;1-2-3/h1,4H,2H2;2-3H,1H2",73.03414000000001,34.49705,
12987,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@@:4]2([O:5][H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15])[H:8],[O:1](/[C:2](=[C:7](/[C:6]([C:4](=[C:3]([H:10])[H:11])[O:5][H:12])([H:13])[H:14])[H:15])[H:9])[H:8],"InChI=1S/C5H8O2/c6-4-2-5(7)1-3(4)5/h3-4,6-7H,1-2H2/t3-,4-,5-/m0/s1","InChI=1S/C5H8O2/c1-5(7)3-2-4-6/h2,4,6-7H,1,3H2/b4-2+",29.85277,-22.7903,
12988,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@@:4]2([O:5][H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15])[H:8],[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:7]1([C:6]([C:4][O:5][H:12])([H:13])[H:14])[H:15])[H:8],"InChI=1S/C5H8O2/c6-4-2-5(7)1-3(4)5/h3-4,6-7H,1-2H2/t3-,4-,5-/m0/s1","InChI=1S/C5H8O2/c6-2-1-4-3-5(4)7/h4-7H,1,3H2/t4-,5+/m1/s1",57.895509999999994,42.76808,
12989,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@@:4]2([O:5][H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15])[H:8],[O:1]([C@@:2]([C:3]([H:10])([H:11])[H:12])([C@@:7]1([H:15])[C:4](=[O:5])[C:6]1([H:13])[H:14])[H:9])[H:8],"InChI=1S/C5H8O2/c6-4-2-5(7)1-3(4)5/h3-4,6-7H,1-2H2/t3-,4-,5-/m0/s1","InChI=1S/C5H8O2/c1-3(6)4-2-5(4)7/h3-4,6H,2H2,1H3/t3-,4-/m0/s1",69.36041,-6.41708,
12990,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@@:4]2([O:5][H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15])[H:8],[O:1]([C:2]([C:3]([C:4]([O:5][H:12])=[C:6]([H:13])[H:14])([H:10])[H:11])=[C:7]([H:9])[H:15])[H:8],"InChI=1S/C5H8O2/c6-4-2-5(7)1-3(4)5/h3-4,6-7H,1-2H2/t3-,4-,5-/m0/s1","InChI=1S/C5H8O2/c1-4(6)3-5(2)7/h6-7H,1-3H2",77.01836,-25.32822,
12991,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@@:4]2([O:5][H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15])[H:8],[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C:6]([H:13])([H:14])[C@@:7]1([C:4][O:5][H:12])[H:15])[H:8],"InChI=1S/C5H8O2/c6-4-2-5(7)1-3(4)5/h3-4,6-7H,1-2H2/t3-,4-,5-/m0/s1","InChI=1S/C5H8O2/c6-3-4-1-2-5(4)7/h4-7H,1-2H2/t4-,5+/m1/s1",92.48961,39.17609,
12992,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@@:4]2([O:5][H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15])[H:8],[O:1]([C@@:2]1([H:9])[C:3]([H:11])=[C:4]2[C:6]([H:13])([H:14])[C@@:7]12[H:15])[H:8].[O:5]([H:10])[H:12],"InChI=1S/C5H8O2/c6-4-2-5(7)1-3(4)5/h3-4,6-7H,1-2H2/t3-,4-,5-/m0/s1","InChI=1S/C5H6O.H2O/c6-5-2-3-1-4(3)5;/h2,4-6H,1H2;1H2/t4-,5+;/m1./s1",87.41863000000001,58.69968000000001,"1,3_Insertion_ROR"
12993,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@@:4]2([O:5][H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15])[H:8],[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]([O:5][H:12])([H:15])[C:6]([H:13])([H:14])[C:7]1)[H:8],"InChI=1S/C5H8O2/c6-4-2-5(7)1-3(4)5/h3-4,6-7H,1-2H2/t3-,4-,5-/m0/s1","InChI=1S/C5H8O2/c6-4-1-2-5(7)3-4/h4-7H,1,3H2/t4-,5+/m0/s1",63.16766,42.93162,
12994,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@@:4]2([O:5][H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15])[H:8],[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C:6]([H:13])([H:14])[C:4]([O:5][H:12])=[C:7]1[H:15])[H:8],"InChI=1S/C5H8O2/c6-4-2-5(7)1-3(4)5/h3-4,6-7H,1-2H2/t3-,4-,5-/m0/s1","InChI=1S/C5H8O2/c6-4-1-2-5(7)3-4/h3-4,6-7H,1-2H2/t4-/m0/s1",56.95114,-33.2089,
12995,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@@:4]2([O:5][H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15])[H:8],[O:1]([C@@:2]([C:3]([C:4][O:5][H:12])([H:10])[H:11])([C:7](=[C:6]([H:13])[H:14])[H:15])[H:9])[H:8],"InChI=1S/C5H8O2/c6-4-2-5(7)1-3(4)5/h3-4,6-7H,1-2H2/t3-,4-,5-/m0/s1","InChI=1S/C5H8O2/c1-2-5(7)3-4-6/h2,5-7H,1,3H2/t5-/m1/s1",39.220040000000004,37.543440000000004,
12996,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@@:4]2([O:5][H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15])[H:8],[C:2]1([H:9])=[C:3]([H:10])[C@@:4]2([O:5][H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15].[O:1]([H:8])[H:11],"InChI=1S/C5H8O2/c6-4-2-5(7)1-3(4)5/h3-4,6-7H,1-2H2/t3-,4-,5-/m0/s1","InChI=1S/C5H6O.H2O/c6-5-2-1-4(5)3-5;/h1-2,4,6H,3H2;1H2/t4-,5-;/m1./s1",71.96800999999999,29.1345,"1,3_Insertion_ROR"
12997,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@@:4]2([O:5][H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15])[H:8],[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C:4]2=[C:7]1[C:6]2([H:13])[H:14])[H:8].[O:5]([H:12])[H:15],"InChI=1S/C5H8O2/c6-4-2-5(7)1-3(4)5/h3-4,6-7H,1-2H2/t3-,4-,5-/m0/s1","InChI=1S/C5H6O.H2O/c6-5-2-3-1-4(3)5;/h5-6H,1-2H2;1H2/t5-;/m0./s1",88.6499,71.13705999999999,
12998,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@@:4]2([O:5][H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15])[H:8],[H:8][H:14].[O:1]=[C:2]([C:3]([C:4]1([O:5][H:12])[C:6]([H:13])=[C:7]1[H:15])([H:10])[H:11])[H:9],"InChI=1S/C5H8O2/c6-4-2-5(7)1-3(4)5/h3-4,6-7H,1-2H2/t3-,4-,5-/m0/s1","InChI=1S/C5H6O2.H2/c6-4-3-5(7)1-2-5;/h1-2,4,7H,3H2;1H",59.649409999999996,35.63593,
12999,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@@:4]2([O:5][H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15])[H:8],[C:2]1([H:9])=[C:7]([H:15])[C:6]([H:13])=[C:4]([O:5][H:12])[C:3]1([H:10])[H:11].[O:1]([H:8])[H:14],"InChI=1S/C5H8O2/c6-4-2-5(7)1-3(4)5/h3-4,6-7H,1-2H2/t3-,4-,5-/m0/s1","InChI=1S/C5H6O.H2O/c6-5-3-1-2-4-5;/h1-3,6H,4H2;1H2",54.00974,-24.354670000000002,
13000,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@@:4]2([O:5][H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15])[H:8],[O:1]([C:2][C:3]([C:4]1([O:5][H:12])[C:6]([H:13])([H:14])[C:7]1([H:9])[H:15])([H:10])[H:11])[H:8],"InChI=1S/C5H8O2/c6-4-2-5(7)1-3(4)5/h3-4,6-7H,1-2H2/t3-,4-,5-/m0/s1","InChI=1S/C5H8O2/c6-4-3-5(7)1-2-5/h6-7H,1-3H2",58.4806,39.75056,
13001,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@@:4]2([O:5][H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15])[H:8],[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C:4][C:6]([H:13])([H:14])[C@@:7]1([O:5][H:12])[H:15])[H:8],"InChI=1S/C5H8O2/c6-4-2-5(7)1-3(4)5/h3-4,6-7H,1-2H2/t3-,4-,5-/m0/s1","InChI=1S/C5H8O2/c6-4-2-1-3-5(4)7/h4-7H,2-3H2/t4-,5-/m0/s1",70.79759,46.39855,
13002,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@@:4]2([O:5][H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15])[H:8],[O:1]([C@@:2]([C:3]([C:4](=[O:5])[H:12])([H:10])[H:11])([C:7](=[C:6]([H:13])[H:14])[H:15])[H:9])[H:8],"InChI=1S/C5H8O2/c6-4-2-5(7)1-3(4)5/h3-4,6-7H,1-2H2/t3-,4-,5-/m0/s1","InChI=1S/C5H8O2/c1-2-5(7)3-4-6/h2,4-5,7H,1,3H2/t5-/m1/s1",64.12617,-19.96875,
13003,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@@:4]2([O:5][H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15])[H:8],[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C:4](=[O:5])[C:6]([H:13])([H:14])[C:7]1([H:12])[H:15])[H:8],"InChI=1S/C5H8O2/c6-4-2-5(7)1-3(4)5/h3-4,6-7H,1-2H2/t3-,4-,5-/m0/s1","InChI=1S/C5H8O2/c6-4-1-2-5(7)3-4/h4,6H,1-3H2/t4-/m1/s1",52.67909,-42.051790000000004,
13004,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@@:4]2([O:5][H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15])[H:8],[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@@:7]1([C:4]([O:5][H:12])=[C:6]([H:13])[H:14])[H:15])[H:8],"InChI=1S/C5H8O2/c6-4-2-5(7)1-3(4)5/h3-4,6-7H,1-2H2/t3-,4-,5-/m0/s1","InChI=1S/C5H8O2/c1-3(6)4-2-5(4)7/h4-7H,1-2H2/t4-,5+/m1/s1",56.054919999999996,-12.09972,
13005,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@@:4]2([O:5][H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15])[H:8],[H:8][H:9].[O:1]=[C:2]1[C:3]([H:10])([H:11])[C@@:4]2([O:5][H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15],"InChI=1S/C5H8O2/c6-4-2-5(7)1-3(4)5/h3-4,6-7H,1-2H2/t3-,4-,5-/m0/s1","InChI=1S/C5H6O2.H2/c6-4-2-5(7)1-3(4)5;/h3,7H,1-2H2;1H/t3-,5-;/m0./s1",77.46231999999999,12.090869999999999,
13006,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@@:4]2([O:5][H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15])[H:8],[O:1]([C:3]([C@@:2]1([H:9])[C@@:4]2([O:5][H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15])([H:10])[H:11])[H:8],"InChI=1S/C5H8O2/c6-4-2-5(7)1-3(4)5/h3-4,6-7H,1-2H2/t3-,4-,5-/m0/s1","InChI=1S/C5H8O2/c6-2-4-3-1-5(3,4)7/h3-4,6-7H,1-2H2/t3-,4+,5+/m0/s1",85.1002,16.79288,
13007,[C:1]([O:2][c:3]1[n:4][o:5][c:6]([H:11])[c:7]1[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]([N:4]=[O:5])=[C:7]=[C:6]([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H5NO2/c1-6-4-2-3-7-5-4/h2-3H,1H3","InChI=1S/C4H5NO2/c1-3-4(5-6)7-2/h1H2,2H3",74.31481,66.09172,
13008,[C:1]([O:2][c:3]1[n:4][o:5][c:6]([H:11])[c:7]1[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]1=[N:4][C@:7]1([C:6](=[O:5])[H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H5NO2/c1-6-4-2-3-7-5-4/h2-3H,1H3","InChI=1S/C4H5NO2/c1-7-4-3(2-6)5-4/h2-3H,1H3/t3-/m0/s1",46.6406,13.124789999999999,ketoenol
13009,[C:1]([O:2][c:3]1[n:4][o:5][c:6]([H:11])[c:7]1[H:12])([H:8])([H:9])[H:10],[C:1]([C@@:7]1([H:12])[C:3]([O-:2])=[N:4][O+:5]=[C:6]1[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H5NO2/c1-6-4-2-3-7-5-4/h2-3H,1H3","InChI=1S/C4H5NO2/c1-3-2-7-5-4(3)6/h2-3H,1H3/t3-/m1/s1",78.0503,21.17752,
13010,[C:1]([O:2][c:3]1[n:4][o:5][c:6]([H:11])[c:7]1[H:12])([H:8])([H:9])[H:10],[C:1]([n:4]1[c:3](=[O:2])[c:7]([H:12])[c:6]([H:11])[o:5]1)([H:8])([H:9])[H:10],"InChI=1S/C4H5NO2/c1-6-4-2-3-7-5-4/h2-3H,1H3","InChI=1S/C4H5NO2/c1-5-4(6)2-3-7-5/h2-3H,1H3",52.628240000000005,-5.57843,ketoenol
13011,[C:1]([O:2][c:3]1[n:4][o:5][c:6]([H:11])[c:7]1[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]1=[C+:7][C:6]([H:11])([H:12])[O:5][N-:4]1)([H:8])([H:9])[H:10],"InChI=1S/C4H5NO2/c1-6-4-2-3-7-5-4/h2-3H,1H3","InChI=1S/C4H5NO2/c1-6-4-2-3-7-5-4/h3H2,1H3",74.26698,71.91131,Singlet_Carbene_Intra_Disproportionation
13012,[C:1]([O:2][c:3]1[n:4][o:5][c:6]([H:11])[c:7]1[H:12])([H:8])([H:9])[H:10],[C:1]1([H:9])([H:10])[O:2]/[C:3](=[C:7](/[C:6](=[O:5])[H:11])[H:12])[N:4]1[H:8],"InChI=1S/C4H5NO2/c1-6-4-2-3-7-5-4/h2-3H,1H3","InChI=1S/C4H5NO2/c6-2-1-4-5-3-7-4/h1-2,5H,3H2/b4-1+",55.93938000000001,-10.00739,
13013,[C:1]([O:2][c:3]1[n:4][o:5][c:6]([H:11])[c:7]1[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]1=[C:7]=[C:6]([H:11])[O:5][N:4]1[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H5NO2/c1-6-4-2-3-7-5-4/h2-3H,1H3","InChI=1S/C4H5NO2/c1-6-4-2-3-7-5-4/h3,5H,1H3",102.41855,58.86809,
13014,[C:1]([O:2][c:3]1[n:4][o:5][c:6]([H:11])[c:7]1[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]#[N+:4][O-:5])([H:8])([H:9])[H:10].[C:6](#[C:7][H:12])[H:11],"InChI=1S/C4H5NO2/c1-6-4-2-3-7-5-4/h2-3H,1H3",InChI=1S/C2H3NO2.C2H2/c1-5-2-3-4;1-2/h1H3;1-2H,87.92636,91.89881,
13015,[C:1]([O:2][c:3]1[n:4][o:5][c:6]([H:11])[c:7]1[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C:3](=[N-:4])[C:7](=[C+:6][O:5][H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H5NO2/c1-6-4-2-3-7-5-4/h2-3H,1H3","InChI=1S/C4H5NO2/c1-7-4(5)2-3-6/h2,6H,1H3",83.06756999999999,62.324290000000005,
13016,[C:1]([O:2][c:3]1[n:4][o:5][c:6]([H:11])[c:7]1[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]1=[C:7]([H:12])[C@@:6]2([H:11])[N:4]1[O:5]2)([H:8])([H:9])[H:10],"InChI=1S/C4H5NO2/c1-6-4-2-3-7-5-4/h2-3H,1H3","InChI=1S/C4H5NO2/c1-6-3-2-4-5(3)7-4/h2,4H,1H3/t4-,5?/m0/s1",89.83059,70.2564,
13017,[C:1]([O:2][c:3]1[n:4][o:5][c:6]([H:11])[c:7]1[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][N:4]=[C:3]=[C:7]([C:6](=[O:5])[H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H5NO2/c1-6-4-2-3-7-5-4/h2-3H,1H3","InChI=1S/C4H5NO2/c1-7-5-3-2-4-6/h2,4H,1H3",64.27221999999999,31.93047,
13018,[C:1]([O:2][c:3]1[n:4][o:5][c:6]([H:11])[c:7]1[H:12])([H:8])([H:9])[H:10],[C:1]([O:2]/[C:3]([N:4]=[O:5])=[C:6](\[C:7][H:12])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H5NO2/c1-6-4-2-3-7-5-4/h2-3H,1H3","InChI=1S/C4H5NO2/c1-3-4(5-6)7-2/h1,3H,2H3/b4-3-",91.70515999999999,89.99531999999999,
13019,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]12[C:4]([H:12])([H:13])[C:5]([H:14])=[C:6]([H:15])[C:7]2([H:16])[H:17],[C:1](=[C:2]([H:10])[H:11])([C:3]1=[C:7]([H:16])[C:6]([H:15])=[C:5]([H:14])[C:4]1([H:12])[H:13])[H:9].[H:8][H:17],"InChI=1S/C7H10/c1-2-4-7(3-1)5-6-7/h1-2H,3-6H2","InChI=1S/C7H8.H2/c1-2-7-5-3-4-6-7;/h2-5H,1,6H2;1H",79.3386,11.76869,
13020,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]12[C:4]([H:12])([H:13])[C:5]([H:14])=[C:6]([H:15])[C:7]2([H:16])[H:17],[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]12[C:4]([H:12])([H:13])[C:5][C:6]([H:14])([H:15])[C:7]2([H:16])[H:17],"InChI=1S/C7H10/c1-2-4-7(3-1)5-6-7/h1-2H,3-6H2","InChI=1S/C7H10/c1-2-4-7(3-1)5-6-7/h1,3-6H2",69.04930999999999,71.10318000000001,Singlet_Carbene_Intra_Disproportionation
13021,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]12[C:4]([H:12])([H:13])[C:5]([H:14])=[C:6]([H:15])[C:7]2([H:16])[H:17],[C:1]([C:2]([H:10])([H:11])[H:13])([C:3]1=[C:4]([H:12])[C:5]([H:14])=[C:6]([H:15])[C:7]1([H:16])[H:17])([H:8])[H:9],"InChI=1S/C7H10/c1-2-4-7(3-1)5-6-7/h1-2H,3-6H2","InChI=1S/C7H10/c1-2-7-5-3-4-6-7/h3-5H,2,6H2,1H3",63.825219999999995,-14.9077,
13022,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]12[C:4]([H:12])([H:13])[C:5]([H:14])=[C:6]([H:15])[C:7]2([H:16])[H:17],[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]12[C:4]([H:12])=[C:5]([H:14])[C:6]([H:13])([H:15])[C:7]2([H:16])[H:17],"InChI=1S/C7H10/c1-2-4-7(3-1)5-6-7/h1-2H,3-6H2","InChI=1S/C7H10/c1-2-4-7(3-1)5-6-7/h1,3H,2,4-6H2",72.97322,-1.177,
13023,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]12[C:4]([H:12])([H:13])[C:5]([H:14])=[C:6]([H:15])[C:7]2([H:16])[H:17],[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]12[C:4]([H:12])([H:13])[C:5]([H:14])=[C:6]=[C:7]2[H:16].[H:15][H:17],"InChI=1S/C7H10/c1-2-4-7(3-1)5-6-7/h1-2H,3-6H2","InChI=1S/C7H8.H2/c1-2-4-7(3-1)5-6-7;/h1,4H,3,5-6H2;1H",93.47147,86.62313,
13024,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]12[C:4]([H:12])([H:13])[C:5]([H:14])=[C:6]([H:15])[C:7]2([H:16])[H:17],[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:7]([H:16])([H:17])[C:3]12[C:4]([H:12])([H:13])[C:5]([H:14])=[C:6]2[H:15],"InChI=1S/C7H10/c1-2-4-7(3-1)5-6-7/h1-2H,3-6H2","InChI=1S/C7H10/c1-3-7(4-1)5-2-6-7/h1,3H,2,4-6H2",105.62912,21.831570000000003,
13025,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]12[C:4]([H:12])([H:13])[C:5]([H:14])=[C:6]([H:15])[C:7]2([H:16])[H:17],[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]12[C:4]([H:12])([H:13])[C:5]([H:14])=[C:6]2[C:7]([H:15])([H:16])[H:17],"InChI=1S/C7H10/c1-2-4-7(3-1)5-6-7/h1-2H,3-6H2","InChI=1S/C7H10/c1-6-2-3-7(6)4-5-7/h2H,3-5H2,1H3",138.24379,18.35001,
13026,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]12[C:4]([H:12])([H:13])[C:5]([H:14])=[C:6]([H:15])[C:7]2([H:16])[H:17],[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]1([C:4]([H:12])([H:13])[H:14])[C:7]([C:6](=[C:5])[H:15])([H:16])[H:17],"InChI=1S/C7H10/c1-2-4-7(3-1)5-6-7/h1-2H,3-6H2","InChI=1S/C7H10/c1-3-4-7(2)5-6-7/h3H,4-6H2,2H3",73.62615,76.45723000000001,
13027,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]12[C:4]([H:12])([H:13])[C:5]([H:14])=[C:6]([H:15])[C:7]2([H:16])[H:17],[C:1]1([H:8])([H:9])[C:3](=[C:2]([H:10])[H:11])[C:7]([H:16])([H:17])[C:6]1([C:5](=[C:4]([H:12])[H:13])[H:14])[H:15],"InChI=1S/C7H10/c1-2-4-7(3-1)5-6-7/h1-2H,3-6H2","InChI=1S/C7H10/c1-3-7-4-6(2)5-7/h3,7H,1-2,4-5H2",78.50726999999999,13.43418,
13028,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]12[C:4]([H:12])([H:13])[C:5]([H:14])=[C:6]([H:15])[C:7]2([H:16])[H:17],[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]12[C:4]([H:13])=[C:5]([H:14])[C:6]([H:15])=[C:7]2[H:17].[H:12][H:16],"InChI=1S/C7H10/c1-2-4-7(3-1)5-6-7/h1-2H,3-6H2","InChI=1S/C7H8.H2/c1-2-4-7(3-1)5-6-7;/h1-4H,5-6H2;1H",51.96975,20.94645,
13029,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]12[C:4]([H:12])([H:13])[C:5]([H:14])=[C:6]([H:15])[C:7]2([H:16])[H:17],[C:1]1([H:8])([H:9])[C+:2]([H:10])[C@:3]1([C:4]([C:5](=[C-:6][H:15])[H:14])([H:12])[H:13])[C:7]([H:11])([H:16])[H:17],"InChI=1S/C7H10/c1-2-4-7(3-1)5-6-7/h1-2H,3-6H2","InChI=1S/C7H10/c1-3-4-7(2)5-6-7/h1,3,5H,4,6H2,2H3/t7-/m1/s1",127.83335,101.06358,
13030,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]12[C:4]([H:12])([H:13])[C:5]([H:14])=[C:6]([H:15])[C:7]2([H:16])[H:17],[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]12[C+:4]([H:13])[C:5]([H:12])([H:14])[C-:6]([H:15])[C:7]2([H:16])[H:17],"InChI=1S/C7H10/c1-2-4-7(3-1)5-6-7/h1-2H,3-6H2","InChI=1S/C7H10/c1-2-4-7(3-1)5-6-7/h1,4H,2-3,5-6H2",73.46296,80.19189,
13031,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C@@:5]1([H:14])[C:6]([H:15])([H:16])[O:7]1)[H:13])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C-:5]=[O+:7][C:6]([H:14])([H:15])[H:16])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-3-5(6-3)4-2-7-4/h3-6H,2H2,1H3/t3-,4-,5-/m1/s1","InChI=1S/C5H9NO/c1-4-5(6-4)3-7-2/h4-6H,1-2H3/t4-,5+/m1/s1",69.08541,37.542429999999996,
13032,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C@@:5]1([H:14])[C:6]([H:15])([H:16])[O:7]1)[H:13])([H:8])([H:9])[H:10],[C:1]([C:2][N:3]([C:4]([C@@:5]1([H:14])[C:6]([H:15])([H:16])[O:7]1)([H:11])[H:13])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-3-5(6-3)4-2-7-4/h3-6H,2H2,1H3/t3-,4-,5-/m1/s1","InChI=1S/C5H9NO/c1-2-6-3-5-4-7-5/h5-6H,3-4H2,1H3/t5-/m0/s1",73.78801999999999,28.268859999999997,
13033,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C@@:5]1([H:14])[C:6]([H:15])([H:16])[O:7]1)[H:13])([H:8])([H:9])[H:10],[C:1]([C-:2]([N:3]([C+:4]([C@@:5]1([H:14])[C:6]([H:15])([H:16])[O:7]1)[H:13])[H:12])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-3-5(6-3)4-2-7-4/h3-6H,2H2,1H3/t3-,4-,5-/m1/s1","InChI=1S/C5H9NO/c1-2-6-3-5-4-7-5/h2-3,5-6H,4H2,1H3/t5-/m0/s1",40.31805,21.438,
13034,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C@@:5]1([H:14])[C:6]([H:15])([H:16])[O:7]1)[H:13])([H:8])([H:9])[H:10],[C:1]([C:2]([N:3](/[C:4](=[C:5]1/[C:6]([H:15])([H:16])[O:7]1)[H:13])[H:12])([H:11])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-3-5(6-3)4-2-7-4/h3-6H,2H2,1H3/t3-,4-,5-/m1/s1","InChI=1S/C5H9NO/c1-2-6-3-5-4-7-5/h3,6H,2,4H2,1H3/b5-3-",102.70085999999999,1.30094,
13035,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C@@:5]1([H:14])[C:6]([H:15])([H:16])[O:7]1)[H:13])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C:5]([O+:7]=[C-:6][H:16])([H:14])[H:15])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-3-5(6-3)4-2-7-4/h3-6H,2H2,1H3/t3-,4-,5-/m1/s1","InChI=1S/C5H9NO/c1-4-5(6-4)3-7-2/h2,4-6H,3H2,1H3/t4-,5+/m1/s1",76.90581999999999,50.74755,
13036,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C@@:5]1([H:14])[C:6]([H:15])([H:16])[O:7]1)[H:13])([H:8])([H:9])[H:10],[C:1](/[C:2](=[N:3]/[C:4]([C@@:5]1([H:14])[C:6]([H:15])([H:16])[O:7]1)([H:12])[H:13])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-3-5(6-3)4-2-7-4/h3-6H,2H2,1H3/t3-,4-,5-/m1/s1","InChI=1S/C5H9NO/c1-2-6-3-5-4-7-5/h2,5H,3-4H2,1H3/b6-2+/t5-/m0/s1",67.36922,-10.16681,
13037,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C@@:5]1([H:14])[C:6]([H:15])([H:16])[O:7]1)[H:13])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[N:3]([H:12])/[C:4]1=[C:5](/[C:6]([O:7][H:13])([H:15])[H:16])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-3-5(6-3)4-2-7-4/h3-6H,2H2,1H3/t3-,4-,5-/m1/s1","InChI=1S/C5H9NO/c1-4-5(6-4)2-3-7/h2,4,6-7H,3H2,1H3/b5-2+/t4-/m1/s1",60.6361,-6.73986,
13038,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C@@:5]1([H:14])[C:6]([H:15])([H:16])[O:7]1)[H:13])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[N+:3]([H:12])([H:13])[C-:4]1[C@@:5]1([H:14])[C:6]([H:15])([H:16])[O:7]1)([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-3-5(6-3)4-2-7-4/h3-6H,2H2,1H3/t3-,4-,5-/m1/s1","InChI=1S/C5H9NO/c1-3-5(6-3)4-2-7-4/h3-4H,2,6H2,1H3/t3-,4-/m1/s1",59.85555,45.527120000000004,
13039,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C@@:5]1([H:14])[C:6]([H:15])([H:16])[O:7]1)[H:13])([H:8])([H:9])[H:10],[C:1]([C:2](/[N:3]=[C:4](/[C@@:5]1([H:14])[C:6]([H:15])([H:16])[O:7]1)[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-3-5(6-3)4-2-7-4/h3-6H,2H2,1H3/t3-,4-,5-/m1/s1","InChI=1S/C5H9NO/c1-2-6-3-5-4-7-5/h3,5H,2,4H2,1H3/b6-3+/t5-/m0/s1",64.79599,-8.75865,
13040,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C@@:5]1([H:14])[C:6]([H:15])([H:16])[O:7]1)[H:13])([H:8])([H:9])[H:10],[C:1]([C@@:4]([N:3]([C:2][H:11])[H:12])([C@@:5]1([H:14])[C:6]([H:15])([H:16])[O:7]1)[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-3-5(6-3)4-2-7-4/h3-6H,2H2,1H3/t3-,4-,5-/m1/s1","InChI=1S/C5H9NO/c1-4(6-2)5-3-7-5/h2,4-6H,3H2,1H3/t4-,5-/m1/s1",91.87875,33.377320000000005,
13041,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C@@:5]1([H:14])[C:6]([H:15])([H:16])[O:7]1)[H:13])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C:4]1=[C:5]([H:13])[H:14])([H:8])([H:9])[H:10].[C:6](=[O:7])([H:15])[H:16],"InChI=1S/C5H9NO/c1-3-5(6-3)4-2-7-4/h3-6H,2H2,1H3/t3-,4-,5-/m1/s1","InChI=1S/C4H7N.CH2O/c1-3-4(2)5-3;1-2/h4-5H,1H2,2H3;1H2/t4-;/m1./s1",64.47998,11.21601,
13042,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C@@:5]1([H:14])[C:6]([H:15])([H:16])[O:7]1)[H:13])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[N:3]([H:12])/[C:4]1=[C:5]1/[C:6]([H:15])([H:16])[O:7]1)([H:8])([H:9])[H:10].[H:13][H:14],"InChI=1S/C5H9NO/c1-3-5(6-3)4-2-7-4/h3-6H,2H2,1H3/t3-,4-,5-/m1/s1","InChI=1S/C5H7NO.H2/c1-3-5(6-3)4-2-7-4;/h3,6H,2H2,1H3;1H/b5-4-;/t3-;/m1./s1",90.83952,44.32745,
13043,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C@@:5]1([H:14])[C:6]([H:15])([H:16])[O:7]1)[H:13])([H:8])([H:9])[H:10],[C:1]([C:2][C@@:4]([N:3]([H:11])[H:12])([C@@:5]1([H:14])[C:6]([H:15])([H:16])[O:7]1)[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-3-5(6-3)4-2-7-4/h3-6H,2H2,1H3/t3-,4-,5-/m1/s1","InChI=1S/C5H9NO/c1-2-4(6)5-3-7-5/h4-5H,3,6H2,1H3/t4-,5-/m1/s1",62.19251,60.97149,
13044,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C@@:5]1([H:14])[C:6]([H:15])([H:16])[O:7]1)[H:13])([H:8])([H:9])[H:10],[C:1]([C@@:2]([N:3]([H:12])[H:16])(/[C:4](=[C:5](\[C:6](=[O:7])[H:15])[H:14])[H:13])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-3-5(6-3)4-2-7-4/h3-6H,2H2,1H3/t3-,4-,5-/m1/s1","InChI=1S/C5H9NO/c1-5(6)3-2-4-7/h2-5H,6H2,1H3/b3-2-/t5-/m1/s1",58.5721,-32.11806,
13045,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C@@:5]1([H:14])[C:6]([H:15])([H:16])[O:7]1)[H:13])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C@@:5]([C:6][H:15])([O:7][H:16])[H:14])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-3-5(6-3)4-2-7-4/h3-6H,2H2,1H3/t3-,4-,5-/m1/s1","InChI=1S/C5H9NO/c1-3-5(6-3)4(2)7/h2-7H,1H3/t3-,4-,5-/m1/s1",71.78811,69.08775,
13046,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C@@:5]1([H:14])[C:6]([H:15])([H:16])[O:7]1)[H:13])([H:8])([H:9])[H:10],[C:1](/[C:2](=[N:3]\[H:12])[C:4]([C@@:5]1([H:14])[C:6]([H:15])([H:16])[O:7]1)([H:11])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-3-5(6-3)4-2-7-4/h3-6H,2H2,1H3/t3-,4-,5-/m1/s1","InChI=1S/C5H9NO/c1-4(6)2-5-3-7-5/h5-6H,2-3H2,1H3/b6-4+/t5-/m0/s1",56.119690000000006,-19.73803,
13047,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C@@:5]1([H:14])[C:6]([H:15])([H:16])[O:7]1)[H:13])([H:8])([H:9])[H:10],[C:1](/[C:2](=[N:3]\[H:12])[H:11])([H:8])([H:9])[H:10].[C:4](=[C:5]1[C:6]([H:15])([H:16])[O:7]1)([H:13])[H:14],"InChI=1S/C5H9NO/c1-3-5(6-3)4-2-7-4/h3-6H,2H2,1H3/t3-,4-,5-/m1/s1","InChI=1S/C3H4O.C2H5N/c1-3-2-4-3;1-2-3/h1-2H2;2-3H,1H3/b;3-2-",82.06416999999999,9.04145,
13048,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C@@:5]1([H:14])[C:6]([H:15])([H:16])[O:7]1)[H:13])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[N:3]([H:12])[O:7][C:6]([H:15])([H:16])[C:5]([H:14])=[C:4]1[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-3-5(6-3)4-2-7-4/h3-6H,2H2,1H3/t3-,4-,5-/m1/s1","InChI=1S/C5H9NO/c1-5-3-2-4-7-6-5/h2-3,5-6H,4H2,1H3/t5-/m1/s1",79.25646,55.09065,
13049,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C@@:5]1([H:14])[C:6]([H:15])([H:16])[O:7]1)[H:13])([H:8])([H:9])[H:10],[C:1]([C@@:5]([C@@:4]1([H:13])[C-:2]([H:11])[N:3]1[H:12])([O+:7]=[C:6]([H:15])[H:16])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-3-5(6-3)4-2-7-4/h3-6H,2H2,1H3/t3-,4-,5-/m1/s1","InChI=1S/C5H9NO/c1-4(7-2)5-3-6-5/h3-6H,2H2,1H3/t4-,5+/m0/s1",118.45121999999999,74.87196,
13050,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C@@:5]1([H:14])[C:6]([H:15])([H:16])[O:7]1)[H:13])([H:8])([H:9])[H:10],[C:1](/[C:2](=[N:3]\[H:12])[H:11])([H:8])([H:9])[H:10].[C:4]([C@@:5]1([H:14])[C:6]([H:15])([H:16])[O:7]1)[H:13],"InChI=1S/C5H9NO/c1-3-5(6-3)4-2-7-4/h3-6H,2H2,1H3/t3-,4-,5-/m1/s1","InChI=1S/C3H4O.C2H5N/c1-3-2-4-3;1-2-3/h1,3H,2H2;2-3H,1H3/b;3-2-/t3-;/m0./s1",74.78721,82.49916,
13051,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C@@:5]1([H:14])[C:6]([H:15])([H:16])[O:7]1)[H:13])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C:5](=[O+:7][C-:6]([H:15])[H:16])[H:14])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-3-5(6-3)4-2-7-4/h3-6H,2H2,1H3/t3-,4-,5-/m1/s1","InChI=1S/C5H9NO/c1-4-5(6-4)3-7-2/h3-6H,2H2,1H3/t4-,5+/m1/s1",49.90772,41.29698,
13052,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C@@:5]1([H:14])[C:6]([H:15])([H:16])[O:7]1)[H:13])([H:8])([H:9])[H:10],[C:1](=[C:2]([H:8])[H:11])([H:9])[H:10].[N:3](=[C:4](\[C@@:5]1([H:14])[C:6]([H:15])([H:16])[O:7]1)[H:13])\[H:12],"InChI=1S/C5H9NO/c1-3-5(6-3)4-2-7-4/h3-6H,2H2,1H3/t3-,4-,5-/m1/s1","InChI=1S/C3H5NO.C2H4/c4-1-3-2-5-3;1-2/h1,3-4H,2H2;1-2H2/b4-1-;/t3-;/m0./s1",76.85172,8.48813,
13053,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C@@:5]1([H:14])[C:6]([H:15])([H:16])[O:7]1)[H:13])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([O:7][C:6]([C:5][H:14])([H:15])[H:16])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-3-5(6-3)4-2-7-4/h3-6H,2H2,1H3/t3-,4-,5-/m1/s1","InChI=1S/C5H9NO/c1-3-7-5-4(2)6-5/h1,4-6H,3H2,2H3/t4-,5+/m1/s1",96.86287,82.04581,
13054,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C@@:5]1([H:14])[C:6]([H:15])([H:16])[O:7]1)[H:13])([H:8])([H:9])[H:10],[C:1]([C:2]([N:3]([C:4][C@@:5]1([H:14])[C:6]([H:15])([H:16])[O:7]1)[H:12])([H:11])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-3-5(6-3)4-2-7-4/h3-6H,2H2,1H3/t3-,4-,5-/m1/s1","InChI=1S/C5H9NO/c1-2-6-3-5-4-7-5/h5-6H,2,4H2,1H3/t5-/m0/s1",68.18606,22.6907,
13055,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C@@:5]1([H:14])[C:6]([H:15])([H:16])[O:7]1)[H:13])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C:5][C:6]([O:7][H:14])([H:15])[H:16])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-3-5(6-3)4-2-7-4/h3-6H,2H2,1H3/t3-,4-,5-/m1/s1","InChI=1S/C5H9NO/c1-4-5(6-4)2-3-7/h4-7H,3H2,1H3/t4-,5+/m1/s1",67.70092,54.0339,
13056,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C@@:5]1([H:14])[C:6]([H:15])([H:16])[O:7]1)[H:13])([H:8])([H:9])[H:10],[C:1](=[C:2]([N:3]([C:4](=[C:5]1[C:6]([H:15])([H:16])[O:7]1)[H:13])[H:12])[H:11])([H:9])[H:10].[H:8][H:14],"InChI=1S/C5H9NO/c1-3-5(6-3)4-2-7-4/h3-6H,2H2,1H3/t3-,4-,5-/m1/s1","InChI=1S/C5H7NO.H2/c1-2-6-3-5-4-7-5;/h2-3,6H,1,4H2;1H",66.52334,25.276870000000002,
13057,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C@@:5]1([H:14])[C:6]([H:15])([H:16])[O:7]1)[H:13])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C@@:5]1([H:14])[C-:6]=[O+:7]1)[H:13])([H:8])([H:9])[H:10].[H:15][H:16],"InChI=1S/C5H9NO/c1-3-5(6-3)4-2-7-4/h3-6H,2H2,1H3/t3-,4-,5-/m1/s1","InChI=1S/C5H7NO.H2/c1-3-5(6-3)4-2-7-4;/h3-6H,1H3;1H/t3-,4-,5-;/m1./s1",82.94981999999999,67.00783,
13058,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C@@:5]1([H:14])[C:6]([H:15])([H:16])[O:7]1)[H:13])([H:8])([H:9])[H:10],[C:1]([C@@:2]([N:3]([H:12])[H:14])(/[C:4](=[C:5]1\[C:6]([H:15])([H:16])[O:7]1)[H:13])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-3-5(6-3)4-2-7-4/h3-6H,2H2,1H3/t3-,4-,5-/m1/s1","InChI=1S/C5H9NO/c1-4(6)2-5-3-7-5/h2,4H,3,6H2,1H3/b5-2+/t4-/m1/s1",66.40373000000001,-4.57025,
13059,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C@@:5]1([H:14])[C:6]([H:15])([H:16])[O:7]1)[H:13])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:11].[C:2]1[N:3]([H:12])[C@:4]1([C@@:5]1([H:14])[C:6]([H:15])([H:16])[O:7]1)[H:13],"InChI=1S/C5H9NO/c1-3-5(6-3)4-2-7-4/h3-6H,2H2,1H3/t3-,4-,5-/m1/s1","InChI=1S/C4H5NO.CH4/c1-3(5-1)4-2-6-4;/h3-5H,2H2;1H4/t3-,4-;/m1./s1",81.7253,61.64858,
13060,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C@@:5]1([H:14])[C:6]([H:15])([H:16])[O:7]1)[H:13])([H:8])([H:9])[H:10],[C:1]([N+:3]1([H:12])[C-:2]([H:11])[C@@:4]1([C@@:5]1([H:14])[C:6]([H:15])([H:16])[O:7]1)[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-3-5(6-3)4-2-7-4/h3-6H,2H2,1H3/t3-,4-,5-/m1/s1","InChI=1S/C5H9NO/c1-6-2-4(6)5-3-7-5/h2,4-6H,3H2,1H3/t4-,5-/m1/s1",104.85209,61.0717,
13061,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C@@:5]1([H:14])[C:6]([H:15])([H:16])[O:7]1)[H:13])([H:8])([H:9])[H:10],[C:1](=[C:2]([N:3]([C:4]1([H:13])[C:5]([H:10])([H:14])[O:7][C:6]1([H:15])[H:16])[H:12])[H:11])([H:8])[H:9],"InChI=1S/C5H9NO/c1-3-5(6-3)4-2-7-4/h3-6H,2H2,1H3/t3-,4-,5-/m1/s1","InChI=1S/C5H9NO/c1-2-6-5-3-7-4-5/h2,5-6H,1,3-4H2",80.60961999999999,-6.25619,
13062,[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C@@:4]([H:13])([C:5]([H:14])([H:15])[C:6]1([H:16])[H:17])[O:7]2)([H:8])([H:9])[H:10],[C:1]([C:6]([C:2]([C:3]([C:4](=[C:5]([H:14])[H:15])[H:13])([H:11])[H:12])=[O:7])([H:16])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-6-3-2-5(4-6)7-6/h5H,2-4H2,1H3/t5-,6+/m1/s1","InChI=1S/C6H10O/c1-3-5-6(7)4-2/h3H,1,4-5H2,2H3",71.19856,-16.47015,
13063,[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C@@:4]([H:13])([C:5]([H:14])([H:15])[C:6]1([H:16])[H:17])[O:7]2)([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:12].[C:2]12=[C:3]([H:11])[C@@:4]([H:13])([C:5]([H:14])([H:15])[C:6]1([H:16])[H:17])[O:7]2,"InChI=1S/C6H10O/c1-6-3-2-5(4-6)7-6/h5H,2-4H2,1H3/t5-,6+/m1/s1","InChI=1S/C5H6O.CH4/c1-2-5-3-4(1)6-5;/h3-4H,1-2H2;1H4/t4-;/m1./s1",132.02237,88.34944,
13064,[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C@@:4]([H:13])([C:5]([H:14])([H:15])[C:6]1([H:16])[H:17])[O:7]2)([H:8])([H:9])[H:10],[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[C:6]([H:16])([H:17])[C:5]([H:14])([H:15])[C-:4]=[O+:7]1)([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-6-3-2-5(4-6)7-6/h5H,2-4H2,1H3/t5-,6+/m1/s1","InChI=1S/C6H10O/c1-6(2)4-3-5-7-6/h3-4H2,1-2H3",66.53455,21.63243,
13065,[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C@@:4]([H:13])([C:5]([H:14])([H:15])[C:6]1([H:16])[H:17])[O:7]2)([H:8])([H:9])[H:10],[C:1]([C@@:2]1([O:7][H:13])[C:3]([H:11])([H:12])[C:4][C:5]([H:14])([H:15])[C:6]1([H:16])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-6-3-2-5(4-6)7-6/h5H,2-4H2,1H3/t5-,6+/m1/s1","InChI=1S/C6H10O/c1-6(7)4-2-3-5-6/h7H,2,4-5H2,1H3/t6-/m0/s1",66.66639,52.67913000000001,
13066,[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C@@:4]([H:13])([C:5]([H:14])([H:15])[C:6]1([H:16])[H:17])[O:7]2)([H:8])([H:9])[H:10],[C:1]([C:2]([C:6]([C:5]([C:4](=[C:3]([H:11])[H:12])[H:13])([H:14])[H:15])([H:16])[H:17])=[O:7])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-6-3-2-5(4-6)7-6/h5H,2-4H2,1H3/t5-,6+/m1/s1","InChI=1S/C6H10O/c1-3-4-5-6(2)7/h3H,1,4-5H2,2H3",42.74488,-18.23609,
13067,[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C@@:4]([H:13])([C:5]([H:14])([H:15])[C:6]1([H:16])[H:17])[O:7]2)([H:8])([H:9])[H:10],[C:1]([O:7][C@@:4]1([H:13])[C:3]([H:11])([H:12])[C:2][C:6]([H:16])([H:17])[C:5]1([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-6-3-2-5(4-6)7-6/h5H,2-4H2,1H3/t5-,6+/m1/s1","InChI=1S/C6H10O/c1-7-6-4-2-3-5-6/h6H,2,4-5H2,1H3/t6-/m1/s1",111.21708000000001,66.19268000000001,
13068,[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C@@:4]([H:13])([C:5]([H:14])([H:15])[C:6]1([H:16])[H:17])[O:7]2)([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]([H:11])[H:12])[C:6]([C:5]([C:4](=[O:7])[H:13])([H:14])[H:15])([H:16])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-6-3-2-5(4-6)7-6/h5H,2-4H2,1H3/t5-,6+/m1/s1","InChI=1S/C6H10O/c1-6(2)4-3-5-7/h5H,1,3-4H2,2H3",37.78839,-13.808520000000001,
13069,[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C@@:4]([H:13])([C:5]([H:14])([H:15])[C:6]1([H:16])[H:17])[O:7]2)([H:8])([H:9])[H:10],[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C:4](=[C:5]([H:15])[C:6]1([H:16])[H:17])[O:7]2)([H:8])([H:9])[H:10].[H:13][H:14],"InChI=1S/C6H10O/c1-6-3-2-5(4-6)7-6/h5H,2-4H2,1H3/t5-,6+/m1/s1","InChI=1S/C6H8O.H2/c1-6-3-2-5(4-6)7-6;/h2H,3-4H2,1H3;1H/t6-;/m0./s1",110.36248,97.00578,
13070,[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C@@:4]([H:13])([C:5]([H:14])([H:15])[C:6]1([H:16])[H:17])[O:7]2)([H:8])([H:9])[H:10],[C:1]([C@:2]12[C:3]([H:11])([H:12])[C:4](=[O+:7]1)[C:5]([H:14])([H:15])[C-:6]2[H:16])([H:8])([H:9])[H:10].[H:13][H:17],"InChI=1S/C6H10O/c1-6-3-2-5(4-6)7-6/h5H,2-4H2,1H3/t5-,6+/m1/s1","InChI=1S/C6H8O.H2/c1-6-3-2-5(4-6)7-6;/h3H,2,4H2,1H3;1H/t6-;/m0./s1",141.41091,109.79377,
13071,[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C@@:4]([H:13])([C:5]([H:14])([H:15])[C:6]1([H:16])[H:17])[O:7]2)([H:8])([H:9])[H:10],[C:1]([C@:2]1([C:6]([C:5]([C:4][H:13])([H:14])[H:15])([H:16])[H:17])[C:3]([H:11])([H:12])[O:7]1)([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-6-3-2-5(4-6)7-6/h5H,2-4H2,1H3/t5-,6+/m1/s1","InChI=1S/C6H10O/c1-3-4-6(2)5-7-6/h1H,3-5H2,2H3/t6-/m0/s1",95.0882,82.10269,
13072,[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C@@:4]([H:13])([C:5]([H:14])([H:15])[C:6]1([H:16])[H:17])[O:7]2)([H:8])([H:9])[H:10],[C:1]([C@@:2]12[C@@:3]([H:12])([C:4]([H:13])=[C:5]([H:15])[C:6]1([H:16])[H:17])[O:7]2)([H:8])([H:9])[H:10].[H:11][H:14],"InChI=1S/C6H10O/c1-6-3-2-5(4-6)7-6/h5H,2-4H2,1H3/t5-,6+/m1/s1","InChI=1S/C6H8O.H2/c1-6-4-2-3-5(6)7-6;/h2-3,5H,4H2,1H3;1H/t5-,6+;/m1./s1",98.44462,20.8215,
13073,[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C@@:4]([H:13])([C:5]([H:14])([H:15])[C:6]1([H:16])[H:17])[O:7]2)([H:8])([H:9])[H:10],[C:1]([C@:2]1([C:6]([C:5]([H:13])([H:14])[H:15])([H:16])[H:17])[C:3]([H:11])([H:12])[C-:4]=[O+:7]1)([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-6-3-2-5(4-6)7-6/h5H,2-4H2,1H3/t5-,6+/m1/s1","InChI=1S/C6H10O/c1-3-6(2)4-5-7-6/h3-4H2,1-2H3/t6-/m0/s1",58.80608,43.188959999999994,
13074,[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C@@:4]([H:13])([C:5]([H:14])([H:15])[C:6]1([H:16])[H:17])[O:7]2)([H:8])([H:9])[H:10],[C:1]([C@@:2]1([C:3]([C:4][H:13])([H:11])[H:12])[C:6]([H:16])([H:17])[C:5]([H:14])([H:15])[O:7]1)([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-6-3-2-5(4-6)7-6/h5H,2-4H2,1H3/t5-,6+/m1/s1","InChI=1S/C6H10O/c1-3-6(2)4-5-7-6/h1H,3-5H2,2H3/t6-/m1/s1",105.56727,87.12419,
13075,[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C@@:4]([H:13])([C:5]([H:14])([H:15])[C:6]1([H:16])[H:17])[O:7]2)([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:17].[C:2]12=[C:6]([H:16])[C:5]([H:14])([H:15])[C@:4]([H:13])([C:3]1([H:11])[H:12])[O:7]2,"InChI=1S/C6H10O/c1-6-3-2-5(4-6)7-6/h5H,2-4H2,1H3/t5-,6+/m1/s1","InChI=1S/C5H6O.CH4/c1-2-5-3-4(1)6-5;/h1,5H,2-3H2;1H4/t5-;/m1./s1",118.04012,89.92192,
13076,[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C@@:4]([H:13])([C:5]([H:14])([H:15])[C:6]1([H:16])[H:17])[O:7]2)([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:3]([H:11])[C@@:4]([O:7][H:12])([H:13])[C:5]([H:14])([H:15])[C:6]1([H:16])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-6-3-2-5(4-6)7-6/h5H,2-4H2,1H3/t5-,6+/m1/s1","InChI=1S/C6H10O/c1-5-2-3-6(7)4-5/h4,6-7H,2-3H2,1H3/t6-/m1/s1",71.03265999999999,-19.47319,
13077,[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C@@:4]([H:13])([C:5]([H:14])([H:15])[C:6]1([H:16])[H:17])[O:7]2)([H:8])([H:9])[H:10],[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C@@:4]([H:13])([C:5]([H:14])([H:15])[C:6]1)[O:7]2)([H:8])([H:9])[H:10].[H:16][H:17],"InChI=1S/C6H10O/c1-6-3-2-5(4-6)7-6/h5H,2-4H2,1H3/t5-,6+/m1/s1","InChI=1S/C6H8O.H2/c1-6-3-2-5(4-6)7-6;/h5H,2,4H2,1H3;1H/t5-,6+;/m1./s1",95.72289,104.2836,
13078,[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C@@:4]([H:13])([C:5]([H:14])([H:15])[C:6]1([H:16])[H:17])[O:7]2)([H:8])([H:9])[H:10],[C:1](=[C:2]1[C@@:6]2([H:17])[C:3]([H:11])([H:12])[C@:4]([H:13])([C:5]2([H:14])[H:15])[O:7]1)([H:8])[H:9].[H:10][H:16],"InChI=1S/C6H10O/c1-6-3-2-5(4-6)7-6/h5H,2-4H2,1H3/t5-,6+/m1/s1","InChI=1S/C6H8O.H2/c1-4-5-2-6(3-5)7-4;/h5-6H,1-3H2;1H/t5-,6+;",103.12879000000001,30.04938,
13079,[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C@@:4]([H:13])([C:5]([H:14])([H:15])[C:6]1([H:16])[H:17])[O:7]2)([H:8])([H:9])[H:10],[C:1]([C:2][C:6]([C:5]([C@:4]1([H:13])[C:3]([H:11])([H:12])[O:7]1)([H:14])[H:15])([H:16])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-6-3-2-5(4-6)7-6/h5H,2-4H2,1H3/t5-,6+/m1/s1","InChI=1S/C6H10O/c1-2-3-4-6-5-7-6/h6H,3-5H2,1H3/t6-/m1/s1",93.14156,81.12363,
13080,[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C@@:4]([H:13])([C:5]([H:14])([H:15])[C:6]1([H:16])[H:17])[O:7]2)([H:8])([H:9])[H:10],[C:1]([C:2][C:3]([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[O:7]1)([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-6-3-2-5(4-6)7-6/h5H,2-4H2,1H3/t5-,6+/m1/s1","InChI=1S/C6H10O/c1-2-3-6-4-5-7-6/h6H,3-5H2,1H3/t6-/m0/s1",103.66025,84.33022,
13081,[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C@@:4]([H:13])([C:5]([H:14])([H:15])[C:6]1([H:16])[H:17])[O:7]2)([H:8])([H:9])[H:10],[C:1]([C:3]([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[C-:2]=[O+:7]1)([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-6-3-2-5(4-6)7-6/h5H,2-4H2,1H3/t5-,6+/m1/s1","InChI=1S/C6H10O/c1-2-6-4-3-5-7-6/h6H,2-4H2,1H3/t6-/m0/s1",106.62624,25.65578,
13082,[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C@@:4]([H:13])([C:5]([H:14])([H:15])[C:6]1([H:16])[H:17])[O:7]2)([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:6]([H:16])([H:17])[C:5]([H:14])([H:15])[C@@:4]([C:3][H:12])([H:13])[O:7]1)([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-6-3-2-5(4-6)7-6/h5H,2-4H2,1H3/t5-,6+/m1/s1","InChI=1S/C6H10O/c1-5-3-4-6(2)7-5/h1,5-6H,3-4H2,2H3/t5-,6-/m0/s1",76.96414,67.20251999999999,
13083,[O:1]([C@@:2]1([H:9])[C@@:3]2([H:10])[O:4][C@:5]1([H:11])[C:6]([H:12])=[C:7]2[H:13])[H:8],[O:1]([C:2]([C@@:3]1([H:10])[O+:4]=[C-:5][C:6]([H:12])=[C:7]1[H:13])([H:9])[H:11])[H:8],"InChI=1S/C5H6O2/c6-5-3-1-2-4(5)7-3/h1-6H/t3-,4+,5-","InChI=1S/C5H6O2/c6-4-5-2-1-3-7-5/h1-2,5-6H,4H2/t5-/m0/s1",53.25428,10.1778,
13084,[O:1]([C@@:2]1([H:9])[C@@:3]2([H:10])[O:4][C@:5]1([H:11])[C:6]([H:12])=[C:7]2[H:13])[H:8],[O:1]([C@@:2]1([H:9])[C-:3]=[O+:4][C@@:5]1([C:6](=[C:7]([H:10])[H:13])[H:12])[H:11])[H:8],"InChI=1S/C5H6O2/c6-5-3-1-2-4(5)7-3/h1-6H/t3-,4+,5-","InChI=1S/C5H6O2/c1-2-5-4(6)3-7-5/h2,4-6H,1H2/t4-,5+/m0/s1",62.012609999999995,37.54487,
13085,[O:1]([C@@:2]1([H:9])[C@@:3]2([H:10])[O:4][C@:5]1([H:11])[C:6]([H:12])=[C:7]2[H:13])[H:8],[O:1]([C@@:2]1([H:9])[C-:3]=[C:7]([H:13])[C+:6]([H:12])[C@:5]1([O:4][H:10])[H:11])[H:8],"InChI=1S/C5H6O2/c6-5-3-1-2-4(5)7-3/h1-6H/t3-,4+,5-","InChI=1S/C5H6O2/c6-4-2-1-3-5(4)7/h1-2,4-7H/t4-,5+/m1/s1",58.0573,34.89955,
13086,[O:1]([C@@:2]1([H:9])[C@@:3]2([H:10])[O:4][C@:5]1([H:11])[C:6]([H:12])=[C:7]2[H:13])[H:8],[O:1]([C@@:2]1([H:9])[C:3]([H:10])=[C:7]([H:13])[C@@:6]2([H:12])[O:4][C@@:5]12[H:11])[H:8],"InChI=1S/C5H6O2/c6-5-3-1-2-4(5)7-3/h1-6H/t3-,4+,5-","InChI=1S/C5H6O2/c6-3-1-2-4-5(3)7-4/h1-6H/t3-,4+,5-/m0/s1",24.98112,-17.808,
13087,[O:1]([C@@:2]1([H:9])[C@@:3]2([H:10])[O:4][C@:5]1([H:11])[C:6]([H:12])=[C:7]2[H:13])[H:8],[O:1]([C@@:2]1([H:9])[O:4][C:3]([H:10])=[C:7]([H:13])[C:6]([H:12])=[C:5]1[H:11])[H:8],"InChI=1S/C5H6O2/c6-5-3-1-2-4(5)7-3/h1-6H/t3-,4+,5-",InChI=1S/C5H6O2/c6-5-3-1-2-4-7-5/h1-6H/t5-/m0/s1,25.07028,-42.96744,
13088,[O:1]([C@@:2]1([H:9])[C@@:3]2([H:10])[O:4][C@:5]1([H:11])[C:6]([H:12])=[C:7]2[H:13])[H:8],[C:2]123[C@:3]4([H:10])[O:4][C@@:5]1([H:11])[C@@:6]2([H:12])[C@:7]34[H:13].[O:1]([H:8])[H:9],"InChI=1S/C5H6O2/c6-5-3-1-2-4(5)7-3/h1-6H/t3-,4+,5-","InChI=1S/C5H4O.H2O/c6-3-1-2-4(6)5(1,2)3;/h1-4H;1H2/t1-,2+,3+,4-,5?;",75.08038,67.04115,
13089,[C:1]([c:2]1[n:3][c:4]([H:11])[c:5]([O:6][H:12])[n:7]1[H:13])([H:8])([H:9])[H:10],[C:1]([C:2]1=[N+:3]=[C-:4][C@@:5]([O:6][H:12])([H:11])[N:7]1[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-3-5-2-4(7)6-3/h2,7H,1H3,(H,5,6)","InChI=1S/C4H6N2O/c1-3-5-2-4(7)6-3/h4,6-7H,1H3/t4-/m0/s1",73.78322,68.46417,Singlet_Carbene_Intra_Disproportionation
13090,[C:1]([c:2]1[n:3][c:4]([H:11])[c:5]([O:6][H:12])[n:7]1[H:13])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:13])[N:3]=[C:4]([H:11])[C:5]([O:6][H:12])=[N:7]1)([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-3-5-2-4(7)6-3/h2,7H,1H3,(H,5,6)","InChI=1S/C4H6N2O/c1-3-5-2-4(7)6-3/h2-3H,1H3,(H,6,7)/t3-/m0/s1",44.05512,10.421380000000001,
13091,[C:1]([c:2]1[n:3][c:4]([H:11])[c:5]([O:6][H:12])[n:7]1[H:13])([H:8])([H:9])[H:10],[C:1](=[C:2]1[N:3]=[C:4]([H:11])[C@@:5]([O:6][H:12])([H:9])[N:7]1[H:13])([H:8])[H:10],"InChI=1S/C4H6N2O/c1-3-5-2-4(7)6-3/h2,7H,1H3,(H,5,6)","InChI=1S/C4H6N2O/c1-3-5-2-4(7)6-3/h2,4,6-7H,1H2/t4-/m0/s1",82.48021999999999,21.13406,
13092,[C:1]([c:2]1[n:3][c:4]([H:11])[c:5]([O:6][H:12])[n:7]1[H:13])([H:8])([H:9])[H:10],[C:1]([C:2]1=[N:3]/[C:5](=[C:4](/[O:6][H:12])[H:11])[N:7]1[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-3-5-2-4(7)6-3/h2,7H,1H3,(H,5,6)","InChI=1S/C4H6N2O/c1-3-5-4(2-7)6-3/h2,7H,1H3,(H,5,6)",139.77036,45.19768,
13093,[C:1]([c:2]1[n:3][c:4]([H:11])[c:5]([O:6][H:12])[n:7]1[H:13])([H:8])([H:9])[H:10],[C:1]([C@:5]1([O:6][H:12])[C:4]([H:11])=[N+:3]=[C-:2][N:7]1[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-3-5-2-4(7)6-3/h2,7H,1H3,(H,5,6)","InChI=1S/C4H6N2O/c1-4(7)2-5-3-6-4/h2,6-7H,1H3/t4-/m0/s1",135.59561000000002,64.95535,
13094,[C:1]([c:2]1[n:3][c:4]([H:11])[c:5]([O:6][H:12])[n:7]1[H:13])([H:8])([H:9])[H:10],[C:1]([C:2]1=[N:3][C:4]([H:11])([H:12])[C:5](=[O:6])[N:7]1[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-3-5-2-4(7)6-3/h2,7H,1H3,(H,5,6)","InChI=1S/C4H6N2O/c1-3-5-2-4(7)6-3/h2H2,1H3,(H,5,6,7)",53.56442,-9.95116,ketoenol
13095,[C:1]([c:2]1[n:3][c:4]([H:11])[c:5]([O:6][H:12])[n:7]1[H:13])([H:8])([H:9])[H:10],[C:1]([c+:2]1[n:3]([H:11])[c-:4][c:5]([O:6][H:12])[n:7]1[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-3-5-2-4(7)6-3/h2,7H,1H3,(H,5,6)","InChI=1S/C4H6N2O/c1-3-5-2-4(7)6-3/h5-7H,1H3",78.23113000000001,46.88867,
13096,[C:1]([c:2]1[n:3][c:4]([H:11])[c:5]([O:6][H:12])[n:7]1[H:13])([H:8])([H:9])[H:10],[C:1](=[C:2]1[N:3]([H:9])[C:4]([H:11])=[C:5]([O:6][H:12])[N:7]1[H:13])([H:8])[H:10],"InChI=1S/C4H6N2O/c1-3-5-2-4(7)6-3/h2,7H,1H3,(H,5,6)","InChI=1S/C4H6N2O/c1-3-5-2-4(7)6-3/h2,5-7H,1H2",68.06276,26.883740000000003,
13097,[C:1]([c:2]1[n:3][c:4]([H:11])[c:5]([O:6][H:12])[n:7]1[H:13])([H:8])([H:9])[H:10],[C:1]([C:2]1=[N:7][C@@:5]([O:6][H:12])([H:13])[C:4]([H:11])=[N:3]1)([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-3-5-2-4(7)6-3/h2,7H,1H3,(H,5,6)","InChI=1S/C4H6N2O/c1-3-5-2-4(7)6-3/h2,4,7H,1H3/t4-/m1/s1",48.288509999999995,19.45778,
13098,[C:1]([c:2]1[n:3][c:4]([H:11])[c:5]([O:6][H:12])[n:7]1[H:13])([H:8])([H:9])[H:10],[C:1]([C@:4]([N+:3]#[C-:2])(/[C:5]([O:6][H:12])=[N:7]/[H:13])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-3-5-2-4(7)6-3/h2,7H,1H3,(H,5,6)","InChI=1S/C4H6N2O/c1-3(6-2)4(5)7/h3H,1H3,(H2,5,7)/t3-/m0/s1",105.17218999999999,34.87897,
13099,[C:1]([c:2]1[n:3][c:4]([H:11])[c:5]([O:6][H:12])[n:7]1[H:13])([H:8])([H:9])[H:10],[C:1]([C-:2]=[N+:3]=[C:4](/[C:5]([O:6][H:12])=[N:7]/[H:13])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-3-5-2-4(7)6-3/h2,7H,1H3,(H,5,6)","InChI=1S/C4H6N2O/c1-2-6-3-4(5)7/h3H,1H3,(H2,5,7)",43.70306,43.58703,
13100,[C:1]([c:2]1[n:3][c:4]([H:11])[c:5]([O:6][H:12])[n:7]1[H:13])([H:8])([H:9])[H:10],[C:1]([C:2]1=[N:3][C@:4]1(/[C:5]([O:6][H:12])=[N:7]/[H:13])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-3-5-2-4(7)6-3/h2,7H,1H3,(H,5,6)","InChI=1S/C4H6N2O/c1-2-3(6-2)4(5)7/h3H,1H3,(H2,5,7)/t3-/m1/s1",81.50454,36.67587,
13101,[C:1]([c:2]1[n:3][c:4]([H:11])[c:5]([O:6][H:12])[n:7]1[H:13])([H:8])([H:9])[H:10],[C:1]([C:2]1=[N:3][C@:4]([O:6][H:12])([H:11])[C-:5]=[N+:7]1[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-3-5-2-4(7)6-3/h2,7H,1H3,(H,5,6)","InChI=1S/C4H6N2O/c1-3-5-2-4(7)6-3/h4-5,7H,1H3/t4-/m0/s1",78.6868,55.61513000000001,
13102,[C:1]([c:2]1[n:3][c:4]([H:11])[c:5]([O:6][H:12])[n:7]1[H:13])([H:8])([H:9])[H:10],[C:1](/[N:3]=[C:2]1/[C:4]([H:11])=[C:5]([O:6][H:12])[N:7]1[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-3-5-2-4(7)6-3/h2,7H,1H3,(H,5,6)","InChI=1S/C4H6N2O/c1-5-3-2-4(7)6-3/h2H,1H3,(H2,5,6,7)",140.52532,43.65323,
13103,[C:1]([c:2]1[n:3][c:4]([H:11])[c:5]([O:6][H:12])[n:7]1[H:13])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([N:7]([C:5][O:6][H:12])[H:13])[N:3]=[C:4]1[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-3-5-2-4(7)6-3/h2,7H,1H3,(H,5,6)","InChI=1S/C4H6N2O/c1-4(2-5-4)6-3-7/h2,6-7H,1H3/t4-/m0/s1",114.07664,80.12977,
13104,[C:1]([c:2]1[n:3][c:4]([H:11])[c:5]([O:6][H:12])[n:7]1[H:13])([H:8])([H:9])[H:10],[C:1](=[C:2]1[N-:3][C:4]([H:11])=[C:5]=[N+:7]1[H:13])([H:8])[H:10].[O:6]([H:9])[H:12],"InChI=1S/C4H6N2O/c1-3-5-2-4(7)6-3/h2,7H,1H3,(H,5,6)","InChI=1S/C4H3N2.H2O/c1-4-5-2-3-6-4;/h2H,1H2;1H2/q-1;/p+1",115.50491000000001,64.85848,
13105,[C:1]([c:2]1[n:3][c:4]([H:11])[c:5]([O:6][H:12])[n:7]1[H:13])([H:8])([H:9])[H:10],[C:1]([N:7](/[C:5](=[C:4](\[N+:3]#[C-:2])[H:11])[O:6][H:12])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-3-5-2-4(7)6-3/h2,7H,1H3,(H,5,6)","InChI=1S/C4H6N2O/c1-5-3-4(7)6-2/h3,6-7H,2H3/b4-3+",104.15908,41.25034,
13106,[C:1]([c:2]1[n:3][c:4]([H:11])[c:5]([O:6][H:12])[n:7]1[H:13])([H:8])([H:9])[H:10],[C:1]([C:2](=[N+:3]=[C-:4][H:11])[N:7]([C:5][O:6][H:12])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-3-5-2-4(7)6-3/h2,7H,1H3,(H,5,6)","InChI=1S/C4H6N2O/c1-4(5-2)6-3-7/h2,6-7H,1H3",79.81635,89.30693000000001,
13107,[C:1]([c:2]1[n:3][c:4]([H:11])[c:5]([O:6][H:12])[n:7]1[H:13])([H:8])([H:9])[H:10],[C:1]([C:2](/[N:3]=[C:4](/[C:5][O:6][H:12])[H:11])=[N:7]\[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-3-5-2-4(7)6-3/h2,7H,1H3,(H,5,6)","InChI=1S/C4H6N2O/c1-4(5)6-2-3-7/h2,5,7H,1H3/b5-4+,6-2+",90.32582,77.40544,
13108,[C:1]([c:2]1[n:3][c:4]([H:11])[c:5]([O:6][H:12])[n:7]1[H:13])([H:8])([H:9])[H:10],[C:1]([C:2]#[N:3])([H:8])([H:9])[H:10].[C:4](=[C:5]=[N:7][H:13])([O:6][H:12])[H:11],"InChI=1S/C4H6N2O/c1-3-5-2-4(7)6-3/h2,7H,1H3,(H,5,6)",InChI=1S/C2H3NO.C2H3N/c3-1-2-4;1-2-3/h2-4H;1H3,96.05845,49.0352,
13109,[O:1]([C:2]([C:3]1([H:11])[C:4]([H:12])([H:13])[C:5](=[O:6])[C:7]1([H:14])[H:15])([H:9])[H:10])[H:8],[C:4](=[C:5]=[O:6])([H:12])[H:13].[O:1]([C:2]([C:3](=[C:7]([H:14])[H:15])[H:11])([H:9])[H:10])[H:8],"InChI=1S/C5H8O2/c6-3-4-1-5(7)2-4/h4,6H,1-3H2","InChI=1S/C3H6O.C2H2O/c1-2-3-4;1-2-3/h2,4H,1,3H2;1H2",34.49735,19.36891,
13110,[O:1]([C:2]([C:3]1([H:11])[C:4]([H:12])([H:13])[C:5](=[O:6])[C:7]1([H:14])[H:15])([H:9])[H:10])[H:8],[O:1]([C:2]([C@:3]1([H:11])[C:4]([H:12])=[C:5]([O:6][H:13])[C:7]1([H:14])[H:15])([H:9])[H:10])[H:8],"InChI=1S/C5H8O2/c6-3-4-1-5(7)2-4/h4,6H,1-3H2","InChI=1S/C5H8O2/c6-3-4-1-5(7)2-4/h1,4,6-7H,2-3H2/t4-/m1/s1",76.3224,14.706779999999998,ketoenol
13111,[O:1]([C:2]([C:3]1([H:11])[C:4]([H:12])([H:13])[C:5](=[O:6])[C:7]1([H:14])[H:15])([H:9])[H:10])[H:8],[C:3]1([H:11])=[C:4]([H:13])[C:5](=[O:6])[C:7]1([H:14])[H:15].[O:1]([C:2]([H:9])([H:10])[H:12])[H:8],"InChI=1S/C5H8O2/c6-3-4-1-5(7)2-4/h4,6H,1-3H2","InChI=1S/C4H4O.CH4O/c5-4-2-1-3-4;1-2/h1-2H,3H2;2H,1H3",89.53823,26.551059999999996,
13112,[O:1]([C:2]([C:3]1([H:11])[C:4]([H:12])([H:13])[C:5](=[O:6])[C:7]1([H:14])[H:15])([H:9])[H:10])[H:8],[H:8][H:10].[O:1]=[C:2]([C:3]1([H:11])[C:4]([H:12])([H:13])[C:5](=[O:6])[C:7]1([H:14])[H:15])[H:9],"InChI=1S/C5H8O2/c6-3-4-1-5(7)2-4/h4,6H,1-3H2","InChI=1S/C5H6O2.H2/c6-3-4-1-5(7)2-4;/h3-4H,1-2H2;1H",78.46392,17.49249,
13113,[O:1]([C:2]([C:3]1([H:11])[C:4]([H:12])([H:13])[C:5](=[O:6])[C:7]1([H:14])[H:15])([H:9])[H:10])[H:8],[C-:5]#[O+:6].[O:1]([C:2]([C:4]([C:3](=[C:7]([H:14])[H:15])[H:11])([H:12])[H:13])([H:9])[H:10])[H:8],"InChI=1S/C5H8O2/c6-3-4-1-5(7)2-4/h4,6H,1-3H2","InChI=1S/C4H8O.CO/c1-2-3-4-5;1-2/h2,5H,1,3-4H2;",72.80163,4.682930000000001,
13114,[O:1]([C:2]([C:3]1([H:11])[C:4]([H:12])([H:13])[C:5](=[O:6])[C:7]1([H:14])[H:15])([H:9])[H:10])[H:8],[C:2]1([H:9])([H:10])[C@:3]2([H:11])[C@@:4]1([H:13])[C:5](=[O:6])[C:7]2([H:14])[H:15].[O:1]([H:8])[H:12],"InChI=1S/C5H8O2/c6-3-4-1-5(7)2-4/h4,6H,1-3H2","InChI=1S/C5H6O.H2O/c6-5-2-3-1-4(3)5;/h3-4H,1-2H2;1H2/t3-,4-;/m0./s1",68.11248,17.5541,
13115,[O:1]([C:2]([C:3]1([H:11])[C:4]([H:12])([H:13])[C:5](=[O:6])[C:7]1([H:14])[H:15])([H:9])[H:10])[H:8],[H:11][H:13].[O:1]([C:2]([C:3]1=[C:4]([H:12])[C:5](=[O:6])[C:7]1([H:14])[H:15])([H:9])[H:10])[H:8],"InChI=1S/C5H8O2/c6-3-4-1-5(7)2-4/h4,6H,1-3H2","InChI=1S/C5H6O2.H2/c6-3-4-1-5(7)2-4;/h1,6H,2-3H2;1H",95.4837,30.96626,
13116,[O:1]([C:2]([C:3]1([H:11])[C:4]([H:12])([H:13])[C:5](=[O:6])[C:7]1([H:14])[H:15])([H:9])[H:10])[H:8],[O:1]([C+:2]([C@:3]([C-:4]([H:12])[H:13])([C:7]([C:5](=[O:6])[H:10])([H:14])[H:15])[H:11])[H:9])[H:8],"InChI=1S/C5H8O2/c6-3-4-1-5(7)2-4/h4,6H,1-3H2","InChI=1S/C5H8O2/c1-5(4-7)2-3-6/h3-5,7H,1-2H2/t5-/m1/s1",66.60438,71.28075,
13117,[O:1]([C:2]([C:3]1([H:11])[C:4]([H:12])([H:13])[C:5](=[O:6])[C:7]1([H:14])[H:15])([H:9])[H:10])[H:8],[O:1]([C:2]([C:3]([C:7]([C:5](=[C+:4][H:12])[O-:6])([H:14])[H:15])([H:11])[H:13])([H:9])[H:10])[H:8],"InChI=1S/C5H8O2/c6-3-4-1-5(7)2-4/h4,6H,1-3H2","InChI=1S/C5H8O2/c1-5(7)3-2-4-6/h1,6H,2-4H2",67.33086999999999,64.21719,
13118,[O:1]([C:2]([C:3]1([H:11])[C:4]([H:12])([H:13])[C:5](=[O:6])[C:7]1([H:14])[H:15])([H:9])[H:10])[H:8],[O:1]([C:2]([C@:3]([C:4]([H:12])([H:13])[H:14])([C:7](=[C:5]=[O:6])[H:15])[H:11])([H:9])[H:10])[H:8],"InChI=1S/C5H8O2/c6-3-4-1-5(7)2-4/h4,6H,1-3H2","InChI=1S/C5H8O2/c1-5(4-7)2-3-6/h2,5,7H,4H2,1H3/t5-/m1/s1",68.57,-1.8389900000000001,
13119,[O:1]([C:2]([C:3]1([H:11])[C:4]([H:12])([H:13])[C:5](=[O:6])[C:7]1([H:14])[H:15])([H:9])[H:10])[H:8],[O:1]([C:2]([C-:3]1[C:4]([H:12])([H:13])[C+:5]([O:6][H:11])[C:7]1([H:14])[H:15])([H:9])[H:10])[H:8],"InChI=1S/C5H8O2/c6-3-4-1-5(7)2-4/h4,6H,1-3H2","InChI=1S/C5H8O2/c6-3-4-1-5(7)2-4/h6-7H,1-3H2",92.51935999999999,80.94440999999999,
13120,[O:1]([C:2]([C:3]1([H:11])[C:4]([H:12])([H:13])[C:5](=[O:6])[C:7]1([H:14])[H:15])([H:9])[H:10])[H:8],[O:1]([C:2]([C:3][C:7]([C:5]([C:4]([H:11])([H:12])[H:13])=[O:6])([H:14])[H:15])([H:9])[H:10])[H:8],"InChI=1S/C5H8O2/c6-3-4-1-5(7)2-4/h4,6H,1-3H2","InChI=1S/C5H8O2/c1-5(7)3-2-4-6/h6H,3-4H2,1H3",68.59956,67.82235,
13121,[O:1]([C:2]([C:3]1([H:11])[C:4]([H:12])([H:13])[C:5](=[O:6])[C:7]1([H:14])[H:15])([H:9])[H:10])[H:8],[C:2](=[C:3]1[C:4]([H:12])([H:13])[C:5](=[O:6])[C:7]1([H:14])[H:15])([H:9])[H:10].[O:1]([H:8])[H:11],"InChI=1S/C5H8O2/c6-3-4-1-5(7)2-4/h4,6H,1-3H2",InChI=1S/C5H6O.H2O/c1-4-2-5(6)3-4;/h1-3H2;1H2,62.62395,11.06899,"1,3_Insertion_ROR"
13122,[C:1]([C@@:2]12[O:3][C@@:4]3([H:11])[C@:5]1([H:12])[O:6][C@@:7]23[H:13])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([C:7](=[O:6])[H:13])[O:3][C:4]([H:11])=[C:5]1[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H6O2/c1-5-3-2(7-5)4(5)6-3/h2-4H,1H3/t2-,3-,4+,5+","InChI=1S/C5H6O2/c1-5(4-6)2-3-7-5/h2-4H,1H3/t5-/m1/s1",29.9978,-59.80842,
13123,[C:1]([C@@:2]12[O:3][C@@:4]3([H:11])[C@:5]1([H:12])[O:6][C@@:7]23[H:13])([H:8])([H:9])[H:10],[C:1]([C:2](=[O:3])[C@@:7]1([H:13])[C:4]([H:11])=[C:5]([H:12])[O:6]1)([H:8])([H:9])[H:10],"InChI=1S/C5H6O2/c1-5-3-2(7-5)4(5)6-3/h2-4H,1H3/t2-,3-,4+,5+","InChI=1S/C5H6O2/c1-4(6)5-2-3-7-5/h2-3,5H,1H3/t5-/m1/s1",25.97825,-60.648759999999996,
13124,[C:1]([C@@:2]12[O:3][C@@:4]3([H:11])[C@:5]1([H:12])[O:6][C@@:7]23[H:13])([H:8])([H:9])[H:10],[C:1]([O:6][C@@:7]1([H:13])[C:2]2=[C:5]([H:12])[C@:4]1([H:11])[O:3]2)([H:8])([H:9])[H:10],"InChI=1S/C5H6O2/c1-5-3-2(7-5)4(5)6-3/h2-4H,1H3/t2-,3-,4+,5+","InChI=1S/C5H6O2/c1-6-5-3-2-4(5)7-3/h2-3,5H,1H3/t3-,5+/m0/s1",95.57563,83.8954,
13125,[C:1]([C@@:2]12[O:3][C@@:4]3([H:11])[C@:5]1([H:12])[O:6][C@@:7]23[H:13])([H:8])([H:9])[H:10],[C:1](=[C:2]([O:3][H:9])[C@:5]1([H:12])[C:4]([H:11])=[C:7]([H:13])[O:6]1)([H:8])[H:10],"InChI=1S/C5H6O2/c1-5-3-2(7-5)4(5)6-3/h2-4H,1H3/t2-,3-,4+,5+","InChI=1S/C5H6O2/c1-4(6)5-2-3-7-5/h2-3,5-6H,1H2/t5-/m0/s1",71.38763,-50.372040000000005,
13126,[C:1]([C@@:2]12[O:3][C@@:4]3([H:11])[C@:5]1([H:12])[O:6][C@@:7]23[H:13])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:7]([H:13])[O:6][C@:5]1([C:4](=[O:3])[H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H6O2/c1-5-3-2(7-5)4(5)6-3/h2-4H,1H3/t2-,3-,4+,5+","InChI=1S/C5H6O2/c1-4-3-7-5(4)2-6/h2-3,5H,1H3/t5-/m0/s1",28.64909,-57.761309999999995,
13127,[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])([H:16])[C:6]([H:17])([H:18])[C@@:7]12[H:19])([H:8])([H:9])[H:10],[C:1]([C:2]1([H:11])[C:3]([H:12])=[C:4]([H:13])[C:5]([H:15])([H:16])[C:6]([H:18])=[C:7]1[H:19])([H:8])([H:9])[H:10].[H:14][H:17],"InChI=1S/C7H12/c1-5-6-3-2-4-7(5)6/h5-7H,2-4H2,1H3/t5-,6+,7-","InChI=1S/C7H10.H2/c1-7-5-3-2-4-6-7;/h3-7H,2H2,1H3;1H",95.85812,13.41552,
13128,[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])([H:16])[C:6]([H:17])([H:18])[C@@:7]12[H:19])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3][C:4]([H:13])([H:14])[C:5]([H:15])([H:16])[C:6]([H:17])([H:18])[C:7]1([H:12])[H:19])([H:8])([H:9])[H:10],"InChI=1S/C7H12/c1-5-6-3-2-4-7(5)6/h5-7H,2-4H2,1H3/t5-,6+,7-","InChI=1S/C7H12/c1-7-5-3-2-4-6-7/h7H,2-5H2,1H3/t7-/m1/s1",66.77794,66.20038000000001,
13129,[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])([H:16])[C:6]([H:17])([H:18])[C@@:7]12[H:19])([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:3](\[C:7](=[C:6]([H:17])[H:18])[H:19])[H:12])[H:11])([H:8])([H:9])[H:10].[C:4](=[C:5]([H:15])[H:16])([H:13])[H:14],"InChI=1S/C7H12/c1-5-6-3-2-4-7(5)6/h5-7H,2-4H2,1H3/t5-,6+,7-","InChI=1S/C5H8.C2H4/c1-3-5-4-2;1-2/h3-5H,1H2,2H3;1-2H2/b5-4-;",73.54423,26.18668,
13130,[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])([H:16])[C:6]([H:17])([H:18])[C@@:7]12[H:19])([H:8])([H:9])[H:10],[C:1]([C@@:3]1([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])([H:16])[C:6]([H:17])([H:18])[C@:7]1([C:2][H:11])[H:19])([H:8])([H:9])[H:10],"InChI=1S/C7H12/c1-5-6-3-2-4-7(5)6/h5-7H,2-4H2,1H3/t5-,6+,7-","InChI=1S/C7H12/c1-6-4-3-5-7(6)2/h1,6-7H,3-5H2,2H3/t6-,7+/m1/s1",92.26852,77.80511,
13131,[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])([H:16])[C:6]([H:17])([H:18])[C@@:7]12[H:19])([H:8])([H:9])[H:10],[C:1]([C@@:2]([C:3]1([H:12])[C:4]([H:13])([H:14])[C:5]1([H:15])[H:16])([C:7](=[C:6]([H:17])[H:18])[H:19])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C7H12/c1-5-6-3-2-4-7(5)6/h5-7H,2-4H2,1H3/t5-,6+,7-","InChI=1S/C7H12/c1-3-6(2)7-4-5-7/h3,6-7H,1,4-5H2,2H3/t6-/m1/s1",88.78664,14.80075,
13132,[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])([H:16])[C:6]([H:17])([H:18])[C@@:7]12[H:19])([H:8])([H:9])[H:10],[C:1]([C@@:2]([C:3](=[C:4]([H:13])[H:14])[H:12])(/[C:7](=[C:6](\[C:5]([H:15])([H:16])[H:18])[H:17])[H:19])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C7H12/c1-5-6-3-2-4-7(5)6/h5-7H,2-4H2,1H3/t5-,6+,7-","InChI=1S/C7H12/c1-4-6-7(3)5-2/h4-7H,2H2,1,3H3/b6-4-/t7-/m0/s1",77.14448,6.817080000000001,
13133,[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])([H:16])[C:6]([H:17])([H:18])[C@@:7]12[H:19])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:7]1([H:19])[C:3][C:4]([H:13])([H:14])[C:5]([H:15])([H:16])[C:6]1([H:17])[H:18])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C7H12/c1-5-6-3-2-4-7(5)6/h5-7H,2-4H2,1H3/t5-,6+,7-","InChI=1S/C7H12/c1-2-7-5-3-4-6-7/h7H,2-5H2,1H3/t7-/m1/s1",63.91808,64.01645,
13134,[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])([H:16])[C:6]([H:17])([H:18])[C@@:7]12[H:19])([H:8])([H:9])[H:10],[C:1]([C:2][C:7]1([H:19])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])([H:16])[C:6]1([H:17])[H:18])([H:8])([H:9])[H:10],"InChI=1S/C7H12/c1-5-6-3-2-4-7(5)6/h5-7H,2-4H2,1H3/t5-,6+,7-","InChI=1S/C7H12/c1-2-7-5-3-4-6-7/h7H,3-6H2,1H3",66.32234,67.37665,
13135,[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])([H:16])[C:6]([H:17])([H:18])[C@@:7]12[H:19])([H:8])([H:9])[H:10],[C:1](=[C:2]([C@@:3]1([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])([H:16])[C:6]([H:18])=[C:7]1[H:19])[H:11])([H:8])[H:9].[H:10][H:17],"InChI=1S/C7H12/c1-5-6-3-2-4-7(5)6/h5-7H,2-4H2,1H3/t5-,6+,7-","InChI=1S/C7H10.H2/c1-2-7-5-3-4-6-7;/h2-3,5,7H,1,4,6H2;1H/t7-;/m1./s1",51.44784,23.2917,
13136,[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])([H:16])[C:6]([H:17])([H:18])[C@@:7]12[H:19])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])([H:16])[C:6]([H:18])=[C:7]12)([H:8])([H:9])[H:10].[H:17][H:19],"InChI=1S/C7H12/c1-5-6-3-2-4-7(5)6/h5-7H,2-4H2,1H3/t5-,6+,7-","InChI=1S/C7H10.H2/c1-5-6-3-2-4-7(5)6;/h3,5,7H,2,4H2,1H3;1H/t5-,7-;/m1./s1",104.28132,58.04043000000001,
13137,[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])([H:16])[C:6]([H:17])([H:18])[C@@:7]12[H:19])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])[C:4]([H:13])([H:14])[C:5][C:6]([H:17])([H:18])[C@@:7]12[H:19])([H:8])([H:9])[H:10].[H:15][H:16],"InChI=1S/C7H12/c1-5-6-3-2-4-7(5)6/h5-7H,2-4H2,1H3/t5-,6+,7-","InChI=1S/C7H10.H2/c1-5-6-3-2-4-7(5)6;/h5-7H,3-4H2,1H3;1H/t5-,6+,7-;",92.78294,97.12049,
13138,[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])([H:16])[C:6]([H:17])([H:18])[C@@:7]12[H:19])([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:7]([C:3](=[C:4](/[C:5]([C:6]([H:13])([H:17])[H:18])([H:15])[H:16])[H:14])\[H:12])/[H:19])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C7H12/c1-5-6-3-2-4-7(5)6/h5-7H,2-4H2,1H3/t5-,6+,7-","InChI=1S/C7H12/c1-3-5-7-6-4-2/h3,5-7H,4H2,1-2H3/b5-3-,7-6-",127.86868999999999,0.82232,
13139,[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])([H:16])[C:6]([H:17])([H:18])[C@@:7]12[H:19])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])[C:4]([H:13])=[C:5]([H:16])[C:6]([H:17])([H:18])[C@@:7]12[H:19])([H:8])([H:9])[H:10].[H:14][H:15],"InChI=1S/C7H12/c1-5-6-3-2-4-7(5)6/h5-7H,2-4H2,1H3/t5-,6+,7-","InChI=1S/C7H10.H2/c1-5-6-3-2-4-7(5)6;/h2-3,5-7H,4H2,1H3;1H/t5-,6+,7-;/m0./s1",100.27387,25.73848,
13140,[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])([H:16])[C:6]([H:17])([H:18])[C@@:7]12[H:19])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:3]([H:12])[C@:7]1([C:6]([C:5]([C:4]([H:11])([H:13])[H:14])([H:15])[H:16])([H:17])[H:18])[H:19])([H:8])([H:9])[H:10],"InChI=1S/C7H12/c1-5-6-3-2-4-7(5)6/h5-7H,2-4H2,1H3/t5-,6+,7-","InChI=1S/C7H12/c1-3-4-7-5-6(7)2/h5,7H,3-4H2,1-2H3/t7-/m1/s1",89.40383,31.62875,
13141,[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])([H:16])[C:6]([H:17])([H:18])[C@@:7]12[H:19])([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:7]1/[C:3]([H:12])=[C:4]([H:14])[C:5]([H:15])([H:16])[C:6]1([H:17])[H:18])[H:11])([H:8])([H:9])[H:10].[H:13][H:19],"InChI=1S/C7H12/c1-5-6-3-2-4-7(5)6/h5-7H,2-4H2,1H3/t5-,6+,7-","InChI=1S/C7H10.H2/c1-2-7-5-3-4-6-7;/h2-3,5H,4,6H2,1H3;1H/b7-2-;",109.24722,11.366810000000001,
13142,[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])([H:16])[C:6]([H:17])([H:18])[C@@:7]12[H:19])([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:7](\[C:6]([C:5]([C:4](=[C:3]([H:12])[H:13])[H:14])([H:15])[H:16])([H:17])[H:18])[H:19])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C7H12/c1-5-6-3-2-4-7(5)6/h5-7H,2-4H2,1H3/t5-,6+,7-","InChI=1S/C7H12/c1-3-5-7-6-4-2/h3-4,6H,1,5,7H2,2H3/b6-4-",76.04956999999999,6.8785,
13143,[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])([H:16])[C:6]([H:17])([H:18])[C@@:7]12[H:19])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:7]1([C:6]([C:5]([C:4][H:14])([H:15])[H:16])([H:17])[H:18])[H:19])([H:8])([H:9])[H:10],"InChI=1S/C7H12/c1-5-6-3-2-4-7(5)6/h5-7H,2-4H2,1H3/t5-,6+,7-","InChI=1S/C7H12/c1-3-4-7-5-6(7)2/h1,6-7H,3-5H2,2H3/t6-,7+/m0/s1",104.51598,94.87778,
13144,[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])([H:16])[C:6]([H:17])([H:18])[C@@:7]12[H:19])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C@:3]([C:4]([C:5]([H:15])([H:16])[H:17])([H:13])[H:14])([H:12])[C@:7]1([C:6][H:18])[H:19])([H:8])([H:9])[H:10],"InChI=1S/C7H12/c1-5-6-3-2-4-7(5)6/h5-7H,2-4H2,1H3/t5-,6+,7-","InChI=1S/C7H12/c1-4-7-5(2)6(7)3/h2,5-7H,4H2,1,3H3/t5-,6+,7-/m0/s1",79.02747,81.00284,
13145,[C:1]([C@@:2]([O:3][H:12])([C@@:4]([O:5][H:14])([C:6](=[O:7])[H:15])[H:13])[H:11])([H:8])([H:9])[H:10],[C:1]([C@:2]1([H:11])[C@:4]([O:5][H:14])([H:13])[C@:6]1([O:7][O:3][H:12])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C4H8O3/c1-3(6)4(7)2-5/h2-4,6-7H,1H3/t3-,4+/m1/s1","InChI=1S/C4H8O3/c1-2-3(5)4(2)7-6/h2-6H,1H3/t2-,3-,4+/m1/s1",94.10899,78.86652,
13146,[C:1]([C@@:2]([O:3][H:12])([C@@:4]([O:5][H:14])([C:6](=[O:7])[H:15])[H:13])[H:11])([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:4](/[O:5][H:14])[H:13])[H:11])([H:8])([H:9])[H:10].[O:3]([C:6](=[O:7])[H:15])[H:12],"InChI=1S/C4H8O3/c1-3(6)4(7)2-5/h2-4,6-7H,1H3/t3-,4+/m1/s1","InChI=1S/C3H6O.CH2O2/c1-2-3-4;2-1-3/h2-4H,1H3;1H,(H,2,3)/b3-2+;",43.94212,1.47373,
13147,[C:1]([C@@:2]([O:3][H:12])([C@@:4]([O:5][H:14])([C:6](=[O:7])[H:15])[H:13])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2](=[O:3])[H:11])([H:8])([H:9])[H:10].[C:4](\[O:5][H:14])(=[C:6](\[O:7][H:12])[H:15])[H:13],"InChI=1S/C4H8O3/c1-3(6)4(7)2-5/h2-4,6-7H,1H3/t3-,4+/m1/s1","InChI=1S/C2H4O2.C2H4O/c3-1-2-4;1-2-3/h1-4H;2H,1H3/b2-1-;",20.17207,20.09505,Retroene
13148,[C:1]([C@@:2]([O:3][H:12])([C@@:4]([O:5][H:14])([C:6](=[O:7])[H:15])[H:13])[H:11])([H:8])([H:9])[H:10],[C+:4]([O:5][H:14])=[C:6]([O-:7])[H:15].[C:1]([C:2]([O:3][H:12])([H:11])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H8O3/c1-3(6)4(7)2-5/h2-4,6-7H,1H3/t3-,4+/m1/s1","InChI=1S/C2H2O2.C2H6O/c3-1-2-4;1-2-3/h1H,(H-,3,4);3H,2H2,1H3",76.89317,74.27671,
13149,[C:1]([C@@:2]([O:3][H:12])([C@@:4]([O:5][H:14])([C:6](=[O:7])[H:15])[H:13])[H:11])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:14].[C:2](=[O:3])([C:4]([O:5][H:12])([C:6](=[O:7])[H:15])[H:13])[H:11],"InChI=1S/C4H8O3/c1-3(6)4(7)2-5/h2-4,6-7H,1H3/t3-,4+/m1/s1","InChI=1S/C3H4O3.CH4/c4-1-3(6)2-5;/h1-3,6H;1H4",65.57122,14.33283,
13150,[C:1]([C@@:2]([O:3][H:12])([C@@:4]([O:5][H:14])([C:6](=[O:7])[H:15])[H:13])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[O:3][C@@:6]([O:7][H:12])([H:15])[C@@:4]1([O:5][H:14])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H8O3/c1-3(6)4(7)2-5/h2-4,6-7H,1H3/t3-,4+/m1/s1","InChI=1S/C4H8O3/c1-2-3(5)4(6)7-2/h2-6H,1H3/t2-,3-,4+/m1/s1",43.39077,12.58043,
13151,[C:1]([C@@:2]([O:3][H:12])([C@@:4]([O:5][H:14])([C:6](=[O:7])[H:15])[H:13])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2](=[O:3])[C@@:4]([O:5][H:14])([C:6](=[O:7])[H:15])[H:13])([H:8])([H:9])[H:10].[H:11][H:12],"InChI=1S/C4H8O3/c1-3(6)4(7)2-5/h2-4,6-7H,1H3/t3-,4+/m1/s1","InChI=1S/C4H6O3.H2/c1-3(6)4(7)2-5;/h2,4,7H,1H3;1H/t4-;/m0./s1",80.30379,19.62388,
13152,[C:1]([C@@:2]([O:3][H:12])([C@@:4]([O:5][H:14])([C:6](=[O:7])[H:15])[H:13])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2][C@@:4]([O:5][H:14])([C:6](=[O:7])[H:15])[H:13])([H:8])([H:9])[H:10].[O:3]([H:11])[H:12],"InChI=1S/C4H8O3/c1-3(6)4(7)2-5/h2-4,6-7H,1H3/t3-,4+/m1/s1","InChI=1S/C4H6O2.H2O/c1-2-4(6)3-5;/h3-4,6H,1H3;1H2/t4-;/m1./s1",73.44827,89.25,
13153,[C:1]([C@@:2]([O:3][H:12])([C@@:4]([O:5][H:14])([C:6](=[O:7])[H:15])[H:13])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]([O:3][H:12])([C:4](=[O:5])[C:6]([O:7][H:14])([H:13])[H:15])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H8O3/c1-3(6)4(7)2-5/h2-4,6-7H,1H3/t3-,4+/m1/s1","InChI=1S/C4H8O3/c1-3(6)4(7)2-5/h3,5-6H,2H2,1H3/t3-/m1/s1",35.43459,-3.29839,
13154,[C:1]([C@@:2]([O:3][H:12])([C@@:4]([O:5][H:14])([C:6](=[O:7])[H:15])[H:13])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]([O:3][H:12])(/[C:4]([O:5][H:13])=[C:6](/[O:7][H:14])[H:15])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H8O3/c1-3(6)4(7)2-5/h2-4,6-7H,1H3/t3-,4+/m1/s1","InChI=1S/C4H8O3/c1-3(6)4(7)2-5/h2-3,5-7H,1H3/b4-2-/t3-/m1/s1",60.44761,5.7439599999999995,ketoenol
13155,[C:1]([C@@:2]([O:3][H:12])([C@@:4]([O:5][H:14])([C:6](=[O:7])[H:15])[H:13])[H:11])([H:8])([H:9])[H:10],[C:1](=[C:2]([C@@:4]([O:5][H:14])([C:6](=[O:7])[H:15])[H:13])[H:11])([H:9])[H:10].[O:3]([H:8])[H:12],"InChI=1S/C4H8O3/c1-3(6)4(7)2-5/h2-4,6-7H,1H3/t3-,4+/m1/s1","InChI=1S/C4H6O2.H2O/c1-2-4(6)3-5;/h2-4,6H,1H2;1H2/t4-;/m1./s1",61.476530000000004,16.96485,"1,3_Insertion_ROR"
13156,[C:1]([C@@:2]([O:3][H:12])([C@@:4]([O:5][H:14])([C:6](=[O:7])[H:15])[H:13])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]([O:3][H:12])([C@@:4]1([H:13])[O:5][C@@:6]1([O:7][H:14])[H:15])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H8O3/c1-3(6)4(7)2-5/h2-4,6-7H,1H3/t3-,4+/m1/s1","InChI=1S/C4H8O3/c1-2(5)3-4(6)7-3/h2-6H,1H3/t2-,3-,4+/m1/s1",45.78572,16.5197,
13157,[C:1]([C@@:2]([O:3][H:12])([C@@:4]([O:5][H:14])([C:6](=[O:7])[H:15])[H:13])[H:11])([H:8])([H:9])[H:10],[C-:6]#[O+:7].[C:1](/[C:2]([O:3][H:12])=[C:4](\[O:5][H:14])[H:13])([H:8])([H:9])[H:10].[H:11][H:15],"InChI=1S/C4H8O3/c1-3(6)4(7)2-5/h2-4,6-7H,1H3/t3-,4+/m1/s1","InChI=1S/C3H6O2.CO.H2/c1-3(5)2-4;1-2;/h2,4-5H,1H3;;1H/b3-2+;;",61.46221,27.582729999999998,
13158,[C:1]([C@@:2]([O:3][H:12])([C@@:4]([O:5][H:14])([C:6](=[O:7])[H:15])[H:13])[H:11])([H:8])([H:9])[H:10],[C:1](/[C:2]([O:3][H:12])=[C:4](/[C:6](=[O:7])[H:15])[H:13])([H:8])([H:9])[H:10].[O:5]([H:11])[H:14],"InChI=1S/C4H8O3/c1-3(6)4(7)2-5/h2-4,6-7H,1H3/t3-,4+/m1/s1","InChI=1S/C4H6O2.H2O/c1-4(6)2-3-5;/h2-3,6H,1H3;1H2/b4-2-;",66.27054,-12.12095,"1,3_Insertion_ROR"
13159,[C:1]([C@@:2]([O:3][H:12])([C@@:4]([O:5][H:14])([C:6](=[O:7])[H:15])[H:13])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([C:4](=[O:5])[C:6](=[O:7])[H:15])([H:11])[H:13])([H:8])([H:9])[H:10].[O:3]([H:12])[H:14],"InChI=1S/C4H8O3/c1-3(6)4(7)2-5/h2-4,6-7H,1H3/t3-,4+/m1/s1","InChI=1S/C4H6O2.H2O/c1-2-4(6)3-5;/h3H,2H2,1H3;1H2",59.48891,10.77622,
13160,[C:1]([C@@:2]([O:3][H:12])([C@@:4]([O:5][H:14])([C:6](=[O:7])[H:15])[H:13])[H:11])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:11].[C:2]([O:3][H:12])[C@@:4]([O:5][H:14])([C:6](=[O:7])[H:15])[H:13],"InChI=1S/C4H8O3/c1-3(6)4(7)2-5/h2-4,6-7H,1H3/t3-,4+/m1/s1","InChI=1S/C3H4O3.CH4/c4-1-3(6)2-5;/h1,3,5-6H;1H4/t3-;/m0./s1",75.17430999999999,70.24337,
13161,[C:1]([C@@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[N:5]2[C:6]([H:14])([H:15])[C@@:7]12[H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[N+:5]([C-:6]([H:14])[H:15])=[C:7]1[H:16])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-5(7)3-6-2-4(5)6/h4,7H,2-3H2,1H3/t4-,5+,6?/m0/s1","InChI=1S/C5H9NO/c1-5(7)3-6(2)4-5/h3,7H,2,4H2,1H3/t5-/m0/s1",45.22423,9.42537,
13162,[C:1]([C@@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[N:5]2[C:6]([H:14])([H:15])[C@@:7]12[H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[N+:5]2([H:15])[C-:6]([H:14])[C@@:7]12[H:16])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-5(7)3-6-2-4(5)6/h4,7H,2-3H2,1H3/t4-,5+,6?/m0/s1","InChI=1S/C5H9NO/c1-5(7)3-6-2-4(5)6/h2,4,6-7H,3H2,1H3/t4-,5+/m0/s1",60.32096,47.8378,
13163,[C:1]([C@@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[N:5]2[C:6]([H:14])([H:15])[C@@:7]12[H:16])([H:8])([H:9])[H:10],[C:1]([C@@:7]1([H:16])[C@@:2]2([O:3][H:11])[C:4]([H:12])([H:13])[N:5]2[C:6]1([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-5(7)3-6-2-4(5)6/h4,7H,2-3H2,1H3/t4-,5+,6?/m0/s1","InChI=1S/C5H9NO/c1-4-2-6-3-5(4,6)7/h4,7H,2-3H2,1H3/t4-,5+,6?/m1/s1",63.35915,-3.6705900000000002,
13164,[C:1]([C@@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[N:5]2[C:6]([H:14])([H:15])[C@@:7]12[H:16])([H:8])([H:9])[H:10],[C:1](=[C:2]([O:3][H:11])[C:7]([C:6]([N:5]=[C:4]([H:12])[H:13])([H:14])[H:15])([H:9])[H:16])([H:8])[H:10],"InChI=1S/C5H9NO/c1-5(7)3-6-2-4(5)6/h4,7H,2-3H2,1H3/t4-,5+,6?/m0/s1","InChI=1S/C5H9NO/c1-5(7)3-4-6-2/h7H,1-4H2",62.92114,-28.020640000000004,
13165,[C:1]([C@@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[N:5]2[C:6]([H:14])([H:15])[C@@:7]12[H:16])([H:8])([H:9])[H:10],[C:1](/[C:2]([O:3][H:11])=[C:7](/[C:6]([N:5]=[C:4]([H:12])[H:13])([H:14])[H:15])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-5(7)3-6-2-4(5)6/h4,7H,2-3H2,1H3/t4-,5+,6?/m0/s1","InChI=1S/C5H9NO/c1-5(7)3-4-6-2/h3,7H,2,4H2,1H3/b5-3-",50.41322,-24.947020000000002,
13166,[C:1]([C@@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[N:5]2[C:6]([H:14])([H:15])[C@@:7]12[H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[N+:5]2([H:16])[C:6]([H:14])([H:15])[C-:7]12)([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-5(7)3-6-2-4(5)6/h4,7H,2-3H2,1H3/t4-,5+,6?/m0/s1","InChI=1S/C5H9NO/c1-5(7)3-6-2-4(5)6/h6-7H,2-3H2,1H3/t5-/m1/s1",53.79878000000001,43.25573,
13167,[C:1]([C@@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[N:5]2[C:6]([H:14])([H:15])[C@@:7]12[H:16])([H:8])([H:9])[H:10],[C:1]([C:4]([N:5]1[C:6]([H:14])([H:15])[C@:7]1([C:2][O:3][H:11])[H:16])([H:12])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-5(7)3-6-2-4(5)6/h4,7H,2-3H2,1H3/t4-,5+,6?/m0/s1","InChI=1S/C5H9NO/c1-2-6-3-5(6)4-7/h5,7H,2-3H2,1H3/t5-,6?/m0/s1",101.13983,39.9561,
13168,[C:1]([C@@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[N:5]2[C:6]([H:14])([H:15])[C@@:7]12[H:16])([H:8])([H:9])[H:10],[C:1]([C:4]([C@@:2]1([O:3][H:11])[N:5]2[C:6]([H:14])([H:15])[C@@:7]12[H:16])([H:12])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-5(7)3-6-2-4(5)6/h4,7H,2-3H2,1H3/t4-,5+,6?/m0/s1","InChI=1S/C5H9NO/c1-2-5(7)4-3-6(4)5/h4,7H,2-3H2,1H3/t4-,5-,6?/m0/s1",80.65592,0.37596,
13169,[C:1]([C@@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[N:5]2[C:6]([H:14])([H:15])[C@@:7]12[H:16])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:11].[C:2]1(=[O:3])[C:4]([H:12])([H:13])[N:5]2[C:6]([H:14])([H:15])[C@@:7]12[H:16],"InChI=1S/C5H9NO/c1-5(7)3-6-2-4(5)6/h4,7H,2-3H2,1H3/t4-,5+,6?/m0/s1","InChI=1S/C4H5NO.CH4/c6-4-2-5-1-3(4)5;/h3H,1-2H2;1H4/t3-,5?;/m0./s1",73.47649,1.5677,
13170,[C:1]([C@@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[N:5]2[C:6]([H:14])([H:15])[C@@:7]12[H:16])([H:8])([H:9])[H:10],[C:1]([C:6]([C@@:7]1([H:16])[C@@:2]2([O:3][H:11])[C:4]([H:12])([H:13])[N:5]21)([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-5(7)3-6-2-4(5)6/h4,7H,2-3H2,1H3/t4-,5+,6?/m0/s1","InChI=1S/C5H9NO/c1-2-4-5(7)3-6(4)5/h4,7H,2-3H2,1H3/t4-,5-,6?/m0/s1",96.462,3.964,
13171,[C:1]([C@@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[N:5]2[C:6]([H:14])([H:15])[C@@:7]12[H:16])([H:8])([H:9])[H:10],[C:1]([C:2](=[O:3])[C:4]([N:5]1[C:6]([H:14])([H:15])[C:7]1([H:11])[H:16])([H:12])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-5(7)3-6-2-4(5)6/h4,7H,2-3H2,1H3/t4-,5+,6?/m0/s1","InChI=1S/C5H9NO/c1-5(7)4-6-2-3-6/h2-4H2,1H3",59.06811,-14.12948,
13172,[C:1]([C@@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[N:5]2[C:6]([H:14])([H:15])[C@@:7]12[H:16])([H:8])([H:9])[H:10],[C:1]([C@:2]12[C:4]([H:12])([H:13])[N:5]([O:3][H:11])[C@@:7]1([H:16])[C:6]2([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-5(7)3-6-2-4(5)6/h4,7H,2-3H2,1H3/t4-,5+,6?/m0/s1","InChI=1S/C5H9NO/c1-5-2-4(5)6(7)3-5/h4,7H,2-3H2,1H3/t4-,5-/m0/s1",104.20905,31.8984,
13173,[C:1]([C@@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[N:5]2[C:6]([H:14])([H:15])[C@@:7]12[H:16])([H:8])([H:9])[H:10],[C:1](=[C:2]([O:3][H:11])[C:4](/[N:5]=[C:7](\[C:6]([H:9])([H:14])[H:15])[H:16])([H:12])[H:13])([H:8])[H:10],"InChI=1S/C5H9NO/c1-5(7)3-6-2-4(5)6/h4,7H,2-3H2,1H3/t4-,5+,6?/m0/s1","InChI=1S/C5H9NO/c1-3-6-4-5(2)7/h3,7H,2,4H2,1H3/b6-3-",73.15039,-31.28523,
13174,[C:1]([C@@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[N:5]2[C:6]([H:14])([H:15])[C@@:7]12[H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([O:3][H:11])[C-:4]([H:12])[N+:5]2([H:13])[C:6]([H:14])([H:15])[C@@:7]12[H:16])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-5(7)3-6-2-4(5)6/h4,7H,2-3H2,1H3/t4-,5+,6?/m0/s1","InChI=1S/C5H9NO/c1-5(7)3-6-2-4(5)6/h3-4,6-7H,2H2,1H3/t4-,5+/m0/s1",78.69951999999999,51.45296,
13175,[C:1]([C@@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[N:5]2[C:6]([H:14])([H:15])[C@@:7]12[H:16])([H:8])([H:9])[H:10],[C:1](=[C:2]([O:3][H:11])[C:4]([N:5]1[C:6]([H:15])=[C:7]1[H:16])([H:12])[H:13])([H:8])[H:10].[H:9][H:14],"InChI=1S/C5H9NO/c1-5(7)3-6-2-4(5)6/h4,7H,2-3H2,1H3/t4-,5+,6?/m0/s1","InChI=1S/C5H7NO.H2/c1-5(7)4-6-2-3-6;/h2-3,7H,1,4H2;1H",91.02552,57.603730000000006,
13176,[C:1]([C@@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[N:5]2[C:6]([H:14])([H:15])[C@@:7]12[H:16])([H:8])([H:9])[H:10],[C:1]([C@:2]12[O:3][C@@:7]1([H:16])[C:6]([H:14])([H:15])[N:5]([H:11])[C:4]2([H:12])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-5(7)3-6-2-4(5)6/h4,7H,2-3H2,1H3/t4-,5+,6?/m0/s1","InChI=1S/C5H9NO/c1-5-3-6-2-4(5)7-5/h4,6H,2-3H2,1H3/t4-,5+/m0/s1",40.28069,-22.11965,
13177,[C:1]([C@@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[N:5]2[C:6]([H:14])([H:15])[C@@:7]12[H:16])([H:8])([H:9])[H:10],[C:1](/[C:7](=[C:2](/[O:3][H:11])[C:4]([N:5]=[C:6]([H:14])[H:15])([H:12])[H:13])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-5(7)3-6-2-4(5)6/h4,7H,2-3H2,1H3/t4-,5+,6?/m0/s1","InChI=1S/C5H9NO/c1-3-5(7)4-6-2/h3,7H,2,4H2,1H3/b5-3+",63.40132,-23.655379999999997,
13178,[C:1]([C@@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[N:5]2[C:6]([H:14])([H:15])[C@@:7]12[H:16])([H:8])([H:9])[H:10],[C:1](=[C:2]1[C:4]([H:12])([H:13])[N:5]2[C:6]([H:14])([H:15])[C@@:7]12[H:16])([H:8])[H:10].[O:3]([H:9])[H:11],"InChI=1S/C5H9NO/c1-5(7)3-6-2-4(5)6/h4,7H,2-3H2,1H3/t4-,5+,6?/m0/s1","InChI=1S/C5H7N.H2O/c1-4-2-6-3-5(4)6;/h5H,1-3H2;1H2/t5-,6?;/m0./s1",62.18683000000001,14.8089,"1,3_Insertion_ROR"
13179,[C:1]([C@@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[N:5]2[C:6]([H:14])([H:15])[C@@:7]12[H:16])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:7]2[N:5]([C:4]1([H:12])[H:13])[C:6]2([H:14])[H:15])([H:8])([H:9])[H:10].[O:3]([H:11])[H:16],"InChI=1S/C5H9NO/c1-5(7)3-6-2-4(5)6/h4,7H,2-3H2,1H3/t4-,5+,6?/m0/s1","InChI=1S/C5H7N.H2O/c1-4-2-6-3-5(4)6;/h2-3H2,1H3;1H2",75.05874,54.1339,"1,3_Insertion_ROR"
13180,[C:1]([C@@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[N:5]2[C:6]([H:14])([H:15])[C@@:7]12[H:16])([H:8])([H:9])[H:10],[C:1]([C:2]([O:3][H:11])([C:4]([H:12])([H:13])[H:15])[C@@:7]1([H:16])[N:5]=[C:6]1[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-5(7)3-6-2-4(5)6/h4,7H,2-3H2,1H3/t4-,5+,6?/m0/s1","InChI=1S/C5H9NO/c1-5(2,7)4-3-6-4/h3-4,7H,1-2H3/t4-/m0/s1",66.53192,-7.71822,
13181,[C:1]([C@@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[N:5]2[C:6]([H:14])([H:15])[C@@:7]12[H:16])([H:8])([H:9])[H:10],[C:1]1([H:8])([H:10])[C@@:2]2([O:3][H:11])[C@:4]1([H:12])[N:5]1[C:6]([H:14])([H:15])[C@@:7]21[H:16].[H:9][H:13],"InChI=1S/C5H9NO/c1-5(7)3-6-2-4(5)6/h4,7H,2-3H2,1H3/t4-,5+,6?/m0/s1","InChI=1S/C5H7NO.H2/c7-5-1-3(5)6-2-4(5)6;/h3-4,7H,1-2H2;1H/t3-,4+,5-,6?;/m1./s1",100.98999,54.72191,
13182,[C:1]([C@@:2]([C:3]([C:4]#[N:5])([H:12])[H:13])([C:6]#[C:7][H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]([C:3]([C:4]#[N:5])([H:12])[H:13])([C:7](=[C:6])[H:14])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H7N/c1-3-6(2)4-5-7/h1,6H,4H2,2H3/t6-/m1/s1","InChI=1S/C6H7N/c1-3-6(2)4-5-7/h3,6H,4H2,2H3/t6-/m1/s1",57.74719,52.185829999999996,Singlet_Carbene_Intra_Disproportionation
13183,[C:1]([C@@:2]([C:3]([C:4]#[N:5])([H:12])[H:13])([C:6]#[C:7][H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:6]=[C:7]([N:5]=[C:4]=[C:3]([H:12])[H:13])[H:14])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H7N/c1-3-6(2)4-5-7/h1,6H,4H2,2H3/t6-/m1/s1","InChI=1S/C6H7N/c1-3-5-6-7-4-2/h3,6H,2H2,1H3",37.71451,16.86399,
13184,[C:1]([C@@:2]([C:3]([C:4]#[N:5])([H:12])[H:13])([C:6]#[C:7][H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:6]=[C:7]([C:3]([C:4]#[N:5])([H:12])[H:13])[H:14])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H7N/c1-3-6(2)4-5-7/h1,6H,4H2,2H3/t6-/m1/s1","InChI=1S/C6H7N/c1-2-3-4-5-6-7/h2,4H,5H2,1H3",61.62667,-5.87226,
13185,[C:1]([C@@:2]([C:3]([C:4]#[N:5])([H:12])[H:13])([C:6]#[C:7][H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])/[C:6]1=[C:7](\[C:4]#[N:5])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C6H7N/c1-3-6(2)4-5-7/h1,6H,4H2,2H3/t6-/m1/s1","InChI=1S/C6H7N/c1-5-4-6(5)2-3-7/h2,5H,4H2,1H3/b6-2+/t5-/m0/s1",80.17726,-4.17462,
13186,[C:1]([C@@:2]([C:3]([C:4]#[N:5])([H:12])[H:13])([C:6]#[C:7][H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C@:3]([C:4]#[N:5])([H:12])[C:6]1=[C:7]([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C6H7N/c1-3-6(2)4-5-7/h1,6H,4H2,2H3/t6-/m1/s1","InChI=1S/C6H7N/c1-4-5(2)6(4)3-7/h5-6H,1H2,2H3/t5-,6+/m1/s1",70.54347,-1.64073,
13187,[C:1]([C@@:2]([C:3]([C:4]#[N:5])([H:12])[H:13])([C:6]#[C:7][H:14])[H:11])([H:8])([H:9])[H:10],[C:1](/[C:2]([C:3]([C:4]#[N:5])([H:12])[H:13])=[C:6](\[C:7][H:14])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H7N/c1-3-6(2)4-5-7/h1,6H,4H2,2H3/t6-/m1/s1","InChI=1S/C6H7N/c1-3-6(2)4-5-7/h1,3H,4H2,2H3/b6-3+",64.10941,55.580490000000005,
13188,[C:1]([C@@:2]([C:3]([C:4]#[N:5])([H:12])[H:13])([C:6]#[C:7][H:14])[H:11])([H:8])([H:9])[H:10],[C:1]1([H:8])([H:9])[C@:2]([C:3]([C:4]#[N:5])([H:12])[H:13])([H:11])[C@:6]1([C:7][H:14])[H:10],"InChI=1S/C6H7N/c1-3-6(2)4-5-7/h1,6H,4H2,2H3/t6-/m1/s1","InChI=1S/C6H7N/c1-5-4-6(5)2-3-7/h1,5-6H,2,4H2/t5-,6+/m0/s1",86.69516,64.658,
13189,[C:1]([C@@:2]([C:3]([C:4]#[N:5])([H:12])[H:13])([C:6]#[C:7][H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]([C:3]([N+:5]#[C-:4])([H:12])[H:13])([C:6]#[C:7][H:14])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H7N/c1-3-6(2)4-5-7/h1,6H,4H2,2H3/t6-/m1/s1","InChI=1S/C6H7N/c1-4-6(2)5-7-3/h1,6H,5H2,2H3/t6-/m1/s1",59.80113000000001,25.91318,
13190,[C:1]([C@@:2]([C:3]([C:4]#[N:5])([H:12])[H:13])([C:6]#[C:7][H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])/[C:4](=[N:5]/[H:14])[C:7]#[C:6]1)([H:8])([H:9])[H:10],"InChI=1S/C6H7N/c1-3-6(2)4-5-7/h1,6H,4H2,2H3/t6-/m1/s1","InChI=1S/C6H7N/c1-5-2-3-6(7)4-5/h5,7H,4H2,1H3/b7-6+/t5-/m1/s1",81.24857,53.91461999999999,
13191,[C:1]([C@@:2]([C:3]([C:4]#[N:5])([H:12])[H:13])([C:6]#[C:7][H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:11].[C:2](=[C:3](/[C:4]#[N:5])[H:12])(\[C:6]#[C:7][H:14])[H:13],"InChI=1S/C6H7N/c1-3-6(2)4-5-7/h1,6H,4H2,2H3/t6-/m1/s1","InChI=1S/C5H3N.CH4/c1-2-3-4-5-6;/h1,3-4H;1H4/b4-3+;",111.54933999999999,11.80057,
13192,[C:1]([C@@:2]([C:3]([C:4]#[N:5])([H:12])[H:13])([C:6]#[C:7][H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([C:4]#[N:5])([H:12])[H:13])=[C:6]=[C:7]([H:11])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C6H7N/c1-3-6(2)4-5-7/h1,6H,4H2,2H3/t6-/m1/s1","InChI=1S/C6H7N/c1-3-6(2)4-5-7/h1,4H2,2H3",70.17945,-7.3570199999999994,
13193,[C:1]([C@@:2]([C:3]([C:4]#[N:5])([H:12])[H:13])([C:6]#[C:7][H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]([C:3](=[C:4]=[N:5][H:13])[H:12])([C:6]#[C:7][H:14])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H7N/c1-3-6(2)4-5-7/h1,6H,4H2,2H3/t6-/m1/s1","InChI=1S/C6H7N/c1-3-6(2)4-5-7/h1,4,6-7H,2H3/t6-/m1/s1",83.10217,20.51802,
13194,[C:1]([C@@:2]([C:3]([C:4]#[N:5])([H:12])[H:13])([C:6]#[C:7][H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:6]([N:5]=[C:4]=[C:3]([H:12])[H:13])=[C:7]1[H:14])([H:8])([H:9])[H:10],"InChI=1S/C6H7N/c1-3-6(2)4-5-7/h1,6H,4H2,2H3/t6-/m1/s1","InChI=1S/C6H7N/c1-3-7-6-4-5(6)2/h4-5H,1H2,2H3/t5-/m1/s1",76.3736,36.17429,
13195,[C:1]([C@@:2]([C:3]([C:4]#[N:5])([H:12])[H:13])([C:6]#[C:7][H:14])[H:11])([H:8])([H:9])[H:10],[C:1]1([H:8])([H:10])[C@:2]([C:3]([C+:4]=[N:5][H:9])([H:12])[H:13])([H:11])[C-:6]=[C:7]1[H:14],"InChI=1S/C6H7N/c1-3-6(2)4-5-7/h1,6H,4H2,2H3/t6-/m1/s1","InChI=1S/C6H7N/c7-5-4-6-2-1-3-6/h1,6-7H,2,4H2/t6-/m1/s1",110.71881,98.80726999999999,
13196,[C:1]([C@@:2]([C:3]([C:4]#[N:5])([H:12])[H:13])([C:6]#[C:7][H:14])[H:11])([H:8])([H:9])[H:10],[C:1]1([H:8])([H:9])[C@:2]([C:3]([C:4]#[N:5])([H:12])[H:13])([H:11])[C:6][C:7]1([H:10])[H:14],"InChI=1S/C6H7N/c1-3-6(2)4-5-7/h1,6H,4H2,2H3/t6-/m1/s1","InChI=1S/C6H7N/c7-5-4-6-2-1-3-6/h6H,1-2,4H2/t6-/m1/s1",93.1281,61.563669999999995,
13197,[C:1]([C@@:2]([C:3]([C:4]#[N:5])([H:12])[H:13])([C:6]#[C:7][H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C:4]1=[N:5][C:7]([H:14])=[C:6]=[C:2]([H:11])[C:3]1([H:12])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C6H7N/c1-3-6(2)4-5-7/h1,6H,4H2,2H3/t6-/m1/s1","InChI=1S/C6H7N/c1-6-4-2-3-5-7-6/h2,5H,4H2,1H3",98.31276,22.866989999999998,
13198,[C:1]([C@@:2]([C:3]([C:4]#[N:5])([H:12])[H:13])([C:6]#[C:7][H:14])[H:11])([H:8])([H:9])[H:10],[C:1]1([H:8])([H:9])[C@@:2]([C:6](=[C-:7][H:14])[H:10])([H:11])[C:3]([H:12])([H:13])[C:4]#[N+:5]1,"InChI=1S/C6H7N/c1-3-6(2)4-5-7/h1,6H,4H2,2H3/t6-/m1/s1","InChI=1S/C6H7N/c1-2-6-3-4-7-5-6/h1-2,6H,3,5H2/t6-/m1/s1",100.96905,95.68338,
13199,[C:1]([C@@:2]([C:3]([C:4]#[N:5])([H:12])[H:13])([C:6]#[C:7][H:14])[H:11])([H:8])([H:9])[H:10],[C:1]1([H:8])([H:9])[C@:2]([C:3]([C:4]#[N:5])([H:12])[H:13])([H:11])[C:6]1=[C:7]([H:10])[H:14],"InChI=1S/C6H7N/c1-3-6(2)4-5-7/h1,6H,4H2,2H3/t6-/m1/s1","InChI=1S/C6H7N/c1-5-4-6(5)2-3-7/h6H,1-2,4H2/t6-/m1/s1",84.25715,0.9283799999999999,
13200,[C:1]([C@@:2]([C:3]([C:4]#[N:5])([H:12])[H:13])([C:6]#[C:7][H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C-:2]=[C:6]=[C+:7][H:14])([H:8])([H:9])[H:10].[C:3]([C:4]#[N:5])([H:11])([H:12])[H:13],"InChI=1S/C6H7N/c1-3-6(2)4-5-7/h1,6H,4H2,2H3/t6-/m1/s1","InChI=1S/C4H4.C2H3N/c1-3-4-2;1-2-3/h1H,2H3;1H3",69.34767,76.75473000000001,
13201,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[N:5]=[C:6]([H:12])[O:7]1,[O:1]=[C:2]1[C+:3]([H:9])[C:4]([H:10])([H:11])[N-:5][C:6]([H:8])([H:12])[O:7]1,"InChI=1S/C4H5NO2/c6-4-1-2-5-3-7-4/h3H,1-2H2","InChI=1S/C4H5NO2/c6-4-1-2-5-3-7-4/h1H,2-3H2",73.9849,74.47234,
13202,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[N:5]=[C:6]([H:12])[O:7]1,[H:11][H:12].[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])=[N+:5]=[C-:6][O:7]1,"InChI=1S/C4H5NO2/c6-4-1-2-5-3-7-4/h3H,1-2H2","InChI=1S/C4H3NO2.H2/c6-4-1-2-5-3-7-4;/h2H,1H2;1H",103.03014,83.29793000000001,
13203,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[N:5]=[C:6]([H:12])[O:7]1,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[N:5]1[C:6](=[O:7])[H:12],"InChI=1S/C4H5NO2/c6-4-1-2-5-3-7-4/h3H,1-2H2","InChI=1S/C4H5NO2/c6-3-5-2-1-4(5)7/h3H,1-2H2",49.269,6.54913,ketoenol
13204,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[N:5]=[C:6]([H:12])[O:7]1,[O:1]=[C:2]([C@@:3]1([H:8])[C:4]([H:10])([H:11])[N:5]1[C:6](=[O:7])[H:12])[H:9],"InChI=1S/C4H5NO2/c6-4-1-2-5-3-7-4/h3H,1-2H2","InChI=1S/C4H5NO2/c6-2-4-1-5(4)3-7/h2-4H,1H2/t4-,5?/m1/s1",80.7887,34.477779999999996,
13205,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[N:5]=[C:6]([H:12])[O:7]1,[N:5](=[C:6]=[O:7])[H:12].[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]1([H:10])[H:11],"InChI=1S/C4H5NO2/c6-4-1-2-5-3-7-4/h3H,1-2H2",InChI=1S/C3H4O.CHNO/c4-3-1-2-3;2-1-3/h1-2H2;2H,106.0809,32.78182,
13206,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[N:5]=[C:6]([H:12])[O:7]1,[O:1]=[C:2]([C:3](/[C:4](=[N:5]\[C:6](=[O:7])[H:12])[H:11])([H:8])[H:9])[H:10],"InChI=1S/C4H5NO2/c6-4-1-2-5-3-7-4/h3H,1-2H2","InChI=1S/C4H5NO2/c6-3-1-2-5-4-7/h2-4H,1H2/b5-2-",58.98924,20.32722,
13207,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[N:5]=[C:6]([H:12])[O:7]1,[O:1]=[C:2]1[C@@:4]([C:3]([H:8])([H:9])[H:11])([H:10])[N:5]=[C:6]([H:12])[O:7]1,"InChI=1S/C4H5NO2/c6-4-1-2-5-3-7-4/h3H,1-2H2","InChI=1S/C4H5NO2/c1-3-4(6)7-2-5-3/h2-3H,1H3/t3-/m0/s1",88.01043,-2.4668900000000002,
13208,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[N:5]=[C:6]([H:12])[O:7]1,[C:3]1([H:8])([H:9])[C:4]([H:10])([H:11])[N:5]=[C:6]1[H:12].[O:1]=[C:2]=[O:7],"InChI=1S/C4H5NO2/c6-4-1-2-5-3-7-4/h3H,1-2H2","InChI=1S/C3H5N.CO2/c1-2-4-3-1;2-1-3/h2H,1,3H2;",76.9705,16.13395,
13209,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[N:5]=[C:6]([H:12])[O:7]1,[H:10][H:11].[O:1]=[C:2]1[C:3]([H:8])([H:9])[C-:4]=[N+:5]=[C:6]([H:12])[O:7]1,"InChI=1S/C4H5NO2/c6-4-1-2-5-3-7-4/h3H,1-2H2","InChI=1S/C4H3NO2.H2/c6-4-1-2-5-3-7-4;/h3H,1H2;1H",83.99443000000001,86.21391,
13210,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[N:5]=[C:6]([H:12])[O:7]1,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C-:4]([H:10])[N:5]([H:11])[C:6]([H:12])=[O+:7]1,"InChI=1S/C4H5NO2/c6-4-1-2-5-3-7-4/h3H,1-2H2","InChI=1S/C4H5NO2/c6-4-1-2-5-3-7-4/h2-3,5H,1H2",68.83747,38.54636,
13211,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[N:5]=[C:6]([H:12])[O:7]1,[O:1]([C:2]1=[C:3]([H:8])[C:4]([H:10])([H:11])[N:5]=[C:6]([H:12])[O:7]1)[H:9],"InChI=1S/C4H5NO2/c6-4-1-2-5-3-7-4/h3H,1-2H2","InChI=1S/C4H5NO2/c6-4-1-2-5-3-7-4/h1,3,6H,2H2",67.65047,18.77201,ketoenol
13212,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[N:5]=[C:6]([H:12])[O:7]1,[C:4](=[N:5][C:6](=[O:7])[H:12])([H:10])[H:11].[O:1]=[C:2]=[C:3]([H:8])[H:9],"InChI=1S/C4H5NO2/c6-4-1-2-5-3-7-4/h3H,1-2H2","InChI=1S/C2H3NO.C2H2O/c1-3-2-4;1-2-3/h2H,1H2;1H2",41.17846,40.59987,
13213,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[N:5]=[C:6]([H:12])[O:7]1,[O:1]=[C:2]([C:3]([C:4]([N+:5]#[C-:6])([H:10])[H:11])([H:8])[H:9])[O:7][H:12],"InChI=1S/C4H5NO2/c6-4-1-2-5-3-7-4/h3H,1-2H2","InChI=1S/C4H5NO2/c1-5-3-2-4(6)7/h2-3H2,(H,6,7)",51.26491,20.236720000000002,
13214,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[N:5]=[C:6]([H:12])[O:7]1,[C:3]1([H:8])([H:9])[C:4]([H:10])([H:11])[N:5]1[C:6](=[O:7])[H:12].[O+:1]#[C-:2],"InChI=1S/C4H5NO2/c6-4-1-2-5-3-7-4/h3H,1-2H2","InChI=1S/C3H5NO.CO/c5-3-4-1-2-4;1-2/h3H,1-2H2;",80.03594,34.56402,
13215,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[N:5]=[C:6]([H:12])[O:7]1,[O:1]=[C:2]=[C:3]([C:4]([N:5]([C:6](=[O:7])[H:12])[H:8])([H:10])[H:11])[H:9],"InChI=1S/C4H5NO2/c6-4-1-2-5-3-7-4/h3H,1-2H2","InChI=1S/C4H5NO2/c6-3-1-2-5-4-7/h1,4H,2H2,(H,5,7)",61.6393,11.83435,
13216,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[N:5]=[C:6]([H:12])[O:7]1,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[N:5]([H:12])[C-:6]=[O+:7]1,"InChI=1S/C4H5NO2/c6-4-1-2-5-3-7-4/h3H,1-2H2","InChI=1S/C4H5NO2/c6-4-1-2-5-3-7-4/h5H,1-2H2",73.66721,35.56289,
13217,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[N:5]=[C:6]([H:12])[O:7]1,[H:8][H:11].[O:1]=[c:2]1[c:3]([H:9])[c:4]([H:10])[n:5][c:6]([H:12])[o:7]1,"InChI=1S/C4H5NO2/c6-4-1-2-5-3-7-4/h3H,1-2H2",InChI=1S/C4H3NO2.H2/c6-4-1-2-5-3-7-4;/h1-3H;1H,89.78112,15.57288,
13218,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[N:5]=[C:6]([H:12])[O:7]1,[C:4]1([H:10])([H:11])[N:5]=[C:6]([H:12])[O:7]1.[O:1]=[C:2]=[C:3]([H:8])[H:9],"InChI=1S/C4H5NO2/c6-4-1-2-5-3-7-4/h3H,1-2H2","InChI=1S/C2H3NO.C2H2O/c1-3-2-4-1;1-2-3/h1H,2H2;1H2",70.85436,60.42041999999999,
13219,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[N:5]=[C:6]([H:12])[O:7]1,[O:1]=[C:2]1[C:3]([H:8])([H:9])[N+:5]([C-:4]([H:10])[H:11])=[C:6]([H:12])[O:7]1,"InChI=1S/C4H5NO2/c6-4-1-2-5-3-7-4/h3H,1-2H2","InChI=1S/C4H5NO2/c1-5-2-4(6)7-3-5/h3H,1-2H2",97.8359,50.58285,
13220,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[N:5]=[C:6]([H:12])[O:7]1,[C:3](=[C:4]([H:10])[H:11])([H:8])[H:9].[N:5]#[C:6][H:12].[O:1]=[C:2]=[O:7],"InChI=1S/C4H5NO2/c6-4-1-2-5-3-7-4/h3H,1-2H2",InChI=1S/C2H4.CHN.CO2/c2*1-2;2-1-3/h1-2H2;1H;,57.3269,14.474770000000001,
13221,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[N:5]=[C:6]([H:12])[O:7]1,[O:1]=[C:2]([C:3]([C:4](=[N+:5]=[C-:6][H:12])[H:11])([H:8])[H:9])[O:7][H:10],"InChI=1S/C4H5NO2/c6-4-1-2-5-3-7-4/h3H,1-2H2","InChI=1S/C4H5NO2/c1-5-3-2-4(6)7/h1,3H,2H2,(H,6,7)",64.572,39.4161,
13222,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[N:5]=[C:6]([H:12])[O:7]1,[O:1]=[C:2]([C:3]([C:4]([N+:5]#[C:6][H:12])([H:10])[H:11])([H:8])[H:9])[O-:7],"InChI=1S/C4H5NO2/c6-4-1-2-5-3-7-4/h3H,1-2H2","InChI=1S/C4H5NO2/c1-5-3-2-4(6)7/h1H,2-3H2",64.44575999999999,56.35142,
13223,[N:1]([c:2]1[n:3][o:4][n:5][c:6]1[N:7]([H:10])[H:11])([H:8])[H:9],[N:1]([C:2]#[N+:3][O-:4])([H:8])[H:9].[N:5]#[C:6][N:7]([H:10])[H:11],"InChI=1S/C2H4N4O/c3-1-2(4)6-7-5-1/h(H2,3,5)(H2,4,6)",InChI=1S/CH2N2O.CH2N2/c2-1-3-4;2-1-3/h2H2;2H2,40.67435,32.25513,
13224,[N:1]([c:2]1[n:3][o:4][n:5][c:6]1[N:7]([H:10])[H:11])([H:8])[H:9],[N:1]([C@@:2]1([H:10])[N-:3][O+:4]=[N:5][C:6]1=[N:7][H:11])([H:8])[H:9],"InChI=1S/C2H4N4O/c3-1-2(4)6-7-5-1/h(H2,3,5)(H2,4,6)","InChI=1S/C2H4N4O/c3-1-2(4)6-7-5-1/h1,4H,3H2/t1-/m0/s1",74.63302,55.93554,
13225,[N:1]([c:2]1[n:3][o:4][n:5][c:6]1[N:7]([H:10])[H:11])([H:8])[H:9],[N:1]([c:2]1[n:3][o:4][n:5]([H:11])/[c:6]1=[N:7]/[H:10])([H:8])[H:9],"InChI=1S/C2H4N4O/c3-1-2(4)6-7-5-1/h(H2,3,5)(H2,4,6)","InChI=1S/C2H4N4O/c3-1-2(4)6-7-5-1/h(H2,3,5)(H2,4,6)",60.7748,19.95072,
13226,[N:1]([c:2]1[n:3][o:4][n:5][c:6]1[N:7]([H:10])[H:11])([H:8])[H:9],[N:1]([c:2]1[n:3]2[o:4][n:5]2[c:6]1[N:7]([H:10])[H:11])([H:8])[H:9],"InChI=1S/C2H4N4O/c3-1-2(4)6-7-5-1/h(H2,3,5)(H2,4,6)",InChI=1S/C2H4N4O/c3-1-2(4)6-5(1)7-6/h3-4H2,115.92164,96.45795,
13227,[N:1]([c:2]1[n:3][o:4][n:5][c:6]1[N:7]([H:10])[H:11])([H:8])[H:9],[H:9][H:11].[N:1](=[C:2]1[N-:3][O+:4]=[N:5][C:6]1=[N:7][H:10])[H:8],"InChI=1S/C2H4N4O/c3-1-2(4)6-7-5-1/h(H2,3,5)(H2,4,6)",InChI=1S/C2H2N4O.H2/c3-1-2(4)6-7-5-1;/h3-4H;1H,76.71188000000001,74.36043000000001,
13228,[N:1]([c:2]1[n:3][o:4][n:5][c:6]1[N:7]([H:10])[H:11])([H:8])[H:9],[N:1]([C:2]1=[N:3][C@@:6]1([N:5]=[O:4])[N:7]([H:10])[H:11])([H:8])[H:9],"InChI=1S/C2H4N4O/c3-1-2(4)6-7-5-1/h(H2,3,5)(H2,4,6)","InChI=1S/C2H4N4O/c3-1-2(4,5-1)6-7/h4H2,(H2,3,5)/t2-/m0/s1",47.12634,41.6989,ketoenol
13229,[N:1]([c:2]1[n:3][o:4][n:5][c:6]1[N:7]([H:10])[H:11])([H:8])[H:9],[N-:3]=[O+:4][N:5].[N:1]([C:2]#[C:6][N:7]([H:10])[H:11])([H:8])[H:9],"InChI=1S/C2H4N4O/c3-1-2(4)6-7-5-1/h(H2,3,5)(H2,4,6)",InChI=1S/C2H4N2.N2O/c3-1-2-4;1-3-2/h3-4H2;,140.9138,138.74783,
13230,[N:1]([c:2]1[n:3][o:4][n:5][c:6]1[N:7]([H:10])[H:11])([H:8])[H:9],[N:1]([C:6]([C:2]#[N:3])([N:5]=[O:4])[N:7]([H:10])[H:11])([H:8])[H:9],"InChI=1S/C2H4N4O/c3-1-2(4)6-7-5-1/h(H2,3,5)(H2,4,6)","InChI=1S/C2H4N4O/c3-1-2(4,5)6-7/h4-5H2",79.66984000000001,24.97757,
13231,[O:1]([C:2]([C:3]#[C:4][C:5]([C:6](=[O:7])[H:13])([H:11])[H:12])([H:9])[H:10])[H:8],[O:1]([C:2]([C:3](=[C:4]=[C:5]([H:11])[H:12])[C:6](=[O:7])[H:13])([H:9])[H:10])[H:8],"InChI=1S/C5H6O2/c6-4-2-1-3-5-7/h4,7H,2,5H2","InChI=1S/C5H6O2/c1-2-5(3-6)4-7/h3,7H,1,4H2",45.6832,-13.7075,
13232,[O:1]([C:2]([C:3]#[C:4][C:5]([C:6](=[O:7])[H:13])([H:11])[H:12])([H:9])[H:10])[H:8],[C:6](=[O:7])([H:10])[H:13].[O:1]([C:2](=[C:3]=[C:4]=[C:5]([H:11])[H:12])[H:9])[H:8],"InChI=1S/C5H6O2/c6-4-2-1-3-5-7/h4,7H,2,5H2","InChI=1S/C4H4O.CH2O/c1-2-3-4-5;1-2/h4-5H,1H2;1H2",58.09568,19.90204,
13233,[O:1]([C:2]([C:3]#[C:4][C:5]([C:6](=[O:7])[H:13])([H:11])[H:12])([H:9])[H:10])[H:8],[O:1]1[C:2]([H:9])([H:10])/[C:3]1=[C:4]1\[C:5]([H:11])([H:12])[C@:6]1([O:7][H:8])[H:13],"InChI=1S/C5H6O2/c6-4-2-1-3-5-7/h4,7H,2,5H2","InChI=1S/C5H6O2/c6-4-1-3(4)5-2-7-5/h4,6H,1-2H2/b5-3-/t4-/m1/s1",55.115919999999996,28.0956,
13234,[O:1]([C:2]([C:3]#[C:4][C:5]([C:6](=[O:7])[H:13])([H:11])[H:12])([H:9])[H:10])[H:8],[O:1]([C:4](=[C:3]=[C:2]([H:9])[H:10])[C:5]([C:6](=[O:7])[H:13])([H:11])[H:12])[H:8],"InChI=1S/C5H6O2/c6-4-2-1-3-5-7/h4,7H,2,5H2","InChI=1S/C5H6O2/c1-2-5(7)3-4-6/h4,7H,1,3H2",57.8861,-10.324160000000001,
13235,[O:1]([C:2]([C:3]#[C:4][C:5]([C:6](=[O:7])[H:13])([H:11])[H:12])([H:9])[H:10])[H:8],[O:1]([C:3]1=[C:4]([C:5]([C:6](=[O:7])[H:13])([H:11])[H:12])[C:2]1([H:9])[H:10])[H:8],"InChI=1S/C5H6O2/c6-4-2-1-3-5-7/h4,7H,2,5H2","InChI=1S/C5H6O2/c6-2-1-4-3-5(4)7/h2,7H,1,3H2",73.80909,4.55414,
13236,[O:1]([C:2]([C:3]#[C:4][C:5]([C:6](=[O:7])[H:13])([H:11])[H:12])([H:9])[H:10])[H:8],[O:1]([C:2]([C:3]#[C:4]/[C:5](=[C:6](/[O:7][H:12])[H:13])[H:11])([H:9])[H:10])[H:8],"InChI=1S/C5H6O2/c6-4-2-1-3-5-7/h4,7H,2,5H2","InChI=1S/C5H6O2/c6-4-2-1-3-5-7/h2,4,6-7H,5H2/b4-2+",55.51214,-1.7657,ketoenol
13237,[O:1]([C:2]([C:3]#[C:4][C:5]([C:6](=[O:7])[H:13])([H:11])[H:12])([H:9])[H:10])[H:8],[O:1]([C:2]([C-:3]=[C:4]([C:5]([C:6]#[O+:7])([H:11])[H:12])[H:13])([H:9])[H:10])[H:8],"InChI=1S/C5H6O2/c6-4-2-1-3-5-7/h4,7H,2,5H2","InChI=1S/C5H6O2/c6-4-2-1-3-5-7/h1,7H,2,5H2",57.031909999999996,37.16588,
13238,[O:1]([C:2]([C:3]#[C:4][C:5]([C:6](=[O:7])[H:13])([H:11])[H:12])([H:9])[H:10])[H:8],[O:1]([C:2]([C:3]/[C:4](=[C:5](/[C:6](=[O:7])[H:13])[H:11])[H:12])([H:9])[H:10])[H:8],"InChI=1S/C5H6O2/c6-4-2-1-3-5-7/h4,7H,2,5H2","InChI=1S/C5H6O2/c6-4-2-1-3-5-7/h1-2,4,7H,5H2/b2-1+",55.17316999999999,41.683659999999996,
13239,[O:1]([C:2]([C:3]#[C:4][C:5]([C:6](=[O:7])[H:13])([H:11])[H:12])([H:9])[H:10])[H:8],[C:6](=[O:7])([H:8])[H:13].[O:1]1[C:2]([H:9])([H:10])[C:3]1=[C:4]=[C:5]([H:11])[H:12],"InChI=1S/C5H6O2/c6-4-2-1-3-5-7/h4,7H,2,5H2","InChI=1S/C4H4O.CH2O/c1-2-4-3-5-4;1-2/h1,3H2;1H2",77.56430999999999,42.798970000000004,
13240,[O:1]([C:2]([C:3]#[C:4][C:5]([C:6](=[O:7])[H:13])([H:11])[H:12])([H:9])[H:10])[H:8],[O:1]([C:2]([C:3]1=[C:6]([H:13])[C:5]([H:11])([H:12])[C:4]1=[O:7])([H:9])[H:10])[H:8],"InChI=1S/C5H6O2/c6-4-2-1-3-5-7/h4,7H,2,5H2","InChI=1S/C5H6O2/c6-3-4-1-2-5(4)7/h1,6H,2-3H2",102.34201999999999,-15.94418,
13241,[O:1]([C:2]([C:3]#[C:4][C:5]([C:6](=[O:7])[H:13])([H:11])[H:12])([H:9])[H:10])[H:8],[O:1]([C:2]([C:3](=[C:4]=[C:5]([C:6](=[O:7])[H:13])[H:11])[H:12])([H:9])[H:10])[H:8],"InChI=1S/C5H6O2/c6-4-2-1-3-5-7/h4,7H,2,5H2","InChI=1S/C5H6O2/c6-4-2-1-3-5-7/h2-4,7H,5H2",55.0873,-9.93367,
13242,[O:1]([C:2]([C:3]#[C:4][C:5]([C:6](=[O:7])[H:13])([H:11])[H:12])([H:9])[H:10])[H:8],[O:1]([C:2]([C:3]#[C:4][O:7][C:6](=[C:5]([H:11])[H:12])[H:13])([H:9])[H:10])[H:8],"InChI=1S/C5H6O2/c6-4-2-1-3-5-7/h4,7H,2,5H2","InChI=1S/C5H6O2/c1-2-7-5-3-4-6/h2,6H,1,4H2",86.64615,24.39256,ketoenol
13243,[O:1]([C:2]([C:3]#[C:4][C:5]([C:6](=[O:7])[H:13])([H:11])[H:12])([H:9])[H:10])[H:8],[C-:6]#[O+:7].[C:2](=[C:3]=[C:4]=[C:5]([H:11])[H:12])([H:9])[H:10].[O:1]([H:8])[H:13],"InChI=1S/C5H6O2/c6-4-2-1-3-5-7/h4,7H,2,5H2",InChI=1S/C4H4.CO.H2O/c1-3-4-2;1-2;/h1-2H2;;1H2,48.03333,8.823260000000001,
13244,[O:1]([C:2]([C:3]#[C:4][C:5]([C:6](=[O:7])[H:13])([H:11])[H:12])([H:9])[H:10])[H:8],[O:1]=[C:2]([C:3]#[C:4][C:5]([C:6]([O:7][H:8])([H:10])[H:13])([H:11])[H:12])[H:9],"InChI=1S/C5H6O2/c6-4-2-1-3-5-7/h4,7H,2,5H2","InChI=1S/C5H6O2/c6-4-2-1-3-5-7/h5-6H,2,4H2",57.26594,-3.45349,
13245,[O:1]([C:2]([C:3]#[C:4][C:5]([C:6](=[O:7])[H:13])([H:11])[H:12])([H:9])[H:10])[H:8],[O:1]([C:2](=[C:3]=[C:4]([C:5]([C:6](=[O:7])[H:13])([H:11])[H:12])[H:10])[H:9])[H:8],"InChI=1S/C5H6O2/c6-4-2-1-3-5-7/h4,7H,2,5H2","InChI=1S/C5H6O2/c6-4-2-1-3-5-7/h1,4-5,7H,2H2",71.42719,-7.030410000000001,
13246,[O:1]([C:2]([C:3]#[C:4][C:5]([C:6](=[O:7])[H:13])([H:11])[H:12])([H:9])[H:10])[H:8],[H:10][H:12].[O:1]([C:2](=[C:3]=[C:4]=[C:5]([C:6](=[O:7])[H:13])[H:11])[H:9])[H:8],"InChI=1S/C5H6O2/c6-4-2-1-3-5-7/h4,7H,2,5H2","InChI=1S/C5H4O2.H2/c6-4-2-1-3-5-7;/h2,4-5,7H;1H",56.7186,13.731570000000001,
13247,[O:1]([C:2]([C:3]#[C:4][C:5]([C:6](=[O:7])[H:13])([H:11])[H:12])([H:9])[H:10])[H:8],[O:1](/[C:2](=[C:3](\[C:4][C:5]([C:6](=[O:7])[H:13])([H:11])[H:12])[H:10])[H:9])[H:8],"InChI=1S/C5H6O2/c6-4-2-1-3-5-7/h4,7H,2,5H2","InChI=1S/C5H6O2/c6-4-2-1-3-5-7/h2,4-6H,3H2/b4-2-",53.273,31.01427,
13248,[O:1]([C:2]([C:3]#[C:4][C:5]([C:6](=[O:7])[H:13])([H:11])[H:12])([H:9])[H:10])[H:8],[O:1]([C:2]([C:4](=[C:3])[C:5]([C:6](=[O:7])[H:13])([H:11])[H:12])([H:9])[H:10])[H:8],"InChI=1S/C5H6O2/c6-4-2-1-3-5-7/h4,7H,2,5H2","InChI=1S/C5H6O2/c1-5(4-7)2-3-6/h3,7H,2,4H2",49.89758,55.16904,
13249,[O:1]([C:2]([C:3]#[C:4][C:5]([C:6](=[O:7])[H:13])([H:11])[H:12])([H:9])[H:10])[H:8],[O:1]([C:2]([C:3]#[C:4][C@@:6]1([H:13])[C:5]([H:11])([H:12])[O:7]1)([H:9])[H:10])[H:8],"InChI=1S/C5H6O2/c6-4-2-1-3-5-7/h4,7H,2,5H2","InChI=1S/C5H6O2/c6-3-1-2-5-4-7-5/h5-6H,3-4H2/t5-/m0/s1",82.93298,22.83835,
13250,[O:1]([C:2]([C:3]#[C:4][C:5]([C:6](=[O:7])[H:13])([H:11])[H:12])([H:9])[H:10])[H:8],[O:1]([O:7][C:6]1([H:13])[C:2]([H:9])([H:10])[C:3]#[C:4][C:5]1([H:11])[H:12])[H:8],"InChI=1S/C5H6O2/c6-4-2-1-3-5-7/h4,7H,2,5H2","InChI=1S/C5H6O2/c6-7-5-3-1-2-4-5/h5-6H,3-4H2",117.29285,111.01348,
13251,[O:1]([C:2]([C:3]#[C:4][C:5]([C:6](=[O:7])[H:13])([H:11])[H:12])([H:9])[H:10])[H:8],[C-:6]#[O+:7].[O:1]([C:2]([C:3](=[C:4]=[C:5]([H:11])[H:12])[H:13])([H:9])[H:10])[H:8],"InChI=1S/C5H6O2/c6-4-2-1-3-5-7/h4,7H,2,5H2","InChI=1S/C4H6O.CO/c1-2-3-4-5;1-2/h3,5H,1,4H2;",32.47245,-6.26166,
13252,[O:1]([C:2]([C:3]#[C:4][C:5]([C:6](=[O:7])[H:13])([H:11])[H:12])([H:9])[H:10])[H:8],[O:1]([C:2]([C:3]([C:4]1=[C:6]([H:13])[C:5]1([H:11])[H:12])=[O:7])([H:9])[H:10])[H:8],"InChI=1S/C5H6O2/c6-4-2-1-3-5-7/h4,7H,2,5H2","InChI=1S/C5H6O2/c6-3-5(7)4-1-2-4/h1,6H,2-3H2",74.58575,7.248060000000001,
13253,[O:1]([C:2]([C:3]#[C:4][C:5]([C:6](=[O:7])[H:13])([H:11])[H:12])([H:9])[H:10])[H:8],[H:10][H:13].[O:1]([C:2](=[C:3]=[C:4]1[C:5]([H:11])([H:12])[C:6]1=[O:7])[H:9])[H:8],"InChI=1S/C5H6O2/c6-4-2-1-3-5-7/h4,7H,2,5H2","InChI=1S/C5H4O2.H2/c6-2-1-4-3-5(4)7;/h2,6H,3H2;1H",78.17496,40.156279999999995,
13254,[O:1]([C:2]([C:3]#[C:4][C:5]([C:6](=[O:7])[H:13])([H:11])[H:12])([H:9])[H:10])[H:8],[O:1]1[C:2]([H:9])([H:10])[C:3][C@@:4]1([C:5]([C:6](=[O:7])[H:13])([H:11])[H:12])[H:8],"InChI=1S/C5H6O2/c6-4-2-1-3-5-7/h4,7H,2,5H2","InChI=1S/C5H6O2/c6-3-1-5-2-4-7-5/h3,5H,1,4H2/t5-/m0/s1",86.91372,70.47106,
13255,[O:1]([C:2]([C:3]#[C:4][C:5]([C:6](=[O:7])[H:13])([H:11])[H:12])([H:9])[H:10])[H:8],[C:2](=[C:3]=[C:4]=[C:5]([C:6](=[O:7])[H:13])[H:11])([H:9])[H:10].[O:1]([H:8])[H:12],"InChI=1S/C5H6O2/c6-4-2-1-3-5-7/h4,7H,2,5H2","InChI=1S/C5H4O.H2O/c1-2-3-4-5-6;/h4-5H,1H2;1H2",50.98788,4.54363,
13256,[O:1]([C:2]([C:3]#[C:4][C:5]([C:6](=[O:7])[H:13])([H:11])[H:12])([H:9])[H:10])[H:8],[C+:2](=[C:3]=[C-:4][C:5]([C:6](=[O:7])[H:13])([H:11])[H:12])[H:9].[O:1]([H:8])[H:10],"InChI=1S/C5H6O2/c6-4-2-1-3-5-7/h4,7H,2,5H2","InChI=1S/C5H4O.H2O/c1-2-3-4-5-6;/h1,5H,4H2;1H2",61.88989,69.44634,
13257,[C:1]([C@@:2]1([H:11])[C@:3]([C:4]([H:13])([H:14])[H:15])([H:12])[C:5]1([C:6]([H:16])([H:17])[H:18])[C:7]([H:19])([H:20])[H:21])([H:8])([H:9])[H:10],[C:1]([C:2]1([H:11])[C:3]([C:4]([H:13])([H:14])[H:15])=[C:5]1[C:7]([H:19])([H:20])[H:21])([H:8])([H:9])[H:10].[C:6]([H:12])([H:16])([H:17])[H:18],"InChI=1S/C7H14/c1-5-6(2)7(5,3)4/h5-6H,1-4H3/t5-,6+","InChI=1S/C6H10.CH4/c1-4-5(2)6(4)3;/h4H,1-3H3;1H4",93.37926,31.31999,
13258,[C:1]([C@@:2]1([H:11])[C@:3]([C:4]([H:13])([H:14])[H:15])([H:12])[C:5]1([C:6]([H:16])([H:17])[H:18])[C:7]([H:19])([H:20])[H:21])([H:8])([H:9])[H:10],[C:1]([C:2][C:5]([C:3]([C:4]([H:13])([H:14])[H:15])([H:11])[H:12])([C:6]([H:16])([H:17])[H:18])[C:7]([H:19])([H:20])[H:21])([H:8])([H:9])[H:10],"InChI=1S/C7H14/c1-5-6(2)7(5,3)4/h5-6H,1-4H3/t5-,6+","InChI=1S/C7H14/c1-5-7(3,4)6-2/h5H2,1-4H3",66.55044000000001,70.32288,
13259,[C:1]([C@@:2]1([H:11])[C@:3]([C:4]([H:13])([H:14])[H:15])([H:12])[C:5]1([C:6]([H:16])([H:17])[H:18])[C:7]([H:19])([H:20])[H:21])([H:8])([H:9])[H:10],[C:1]([C@@:2]([C:3](=[C:4]([H:13])[H:14])[H:12])([C:5]([C:6]([H:15])([H:16])[H:18])([C:7]([H:19])([H:20])[H:21])[H:17])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C7H14/c1-5-6(2)7(5,3)4/h5-6H,1-4H3/t5-,6+","InChI=1S/C7H14/c1-5-7(4)6(2)3/h5-7H,1H2,2-4H3/t7-/m0/s1",78.7026,-3.4291099999999997,
13260,[C:1]([C@@:2]1([H:11])[C@:3]([C:4]([H:13])([H:14])[H:15])([H:12])[C:5]1([C:6]([H:16])([H:17])[H:18])[C:7]([H:19])([H:20])[H:21])([H:8])([H:9])[H:10],[C:1]([C@@:2]([C:3][C:4]([H:13])([H:14])[H:15])([C:5]([C:6]([H:16])([H:17])[H:18])([C:7]([H:19])([H:20])[H:21])[H:12])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C7H14/c1-5-6(2)7(5,3)4/h5-6H,1-4H3/t5-,6+","InChI=1S/C7H14/c1-5-7(4)6(2)3/h6-7H,1-4H3/t7-/m0/s1",66.80532,71.11752,
13261,[C:1]([C@@:2]1([H:11])[C@:3]([C:4]([H:13])([H:14])[H:15])([H:12])[C:5]1([C:6]([H:16])([H:17])[H:18])[C:7]([H:19])([H:20])[H:21])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:12].[C:2]1([H:11])=[C:3]([C:4]([H:13])([H:14])[H:15])[C:5]1([C:6]([H:16])([H:17])[H:18])[C:7]([H:19])([H:20])[H:21],"InChI=1S/C7H14/c1-5-6(2)7(5,3)4/h5-6H,1-4H3/t5-,6+","InChI=1S/C6H10.CH4/c1-5-4-6(5,2)3;/h4H,1-3H3;1H4",93.49145,34.67541,
13262,[C:1]([C@@:2]1([H:11])[C@:3]([C:4]([H:13])([H:14])[H:15])([H:12])[C:5]1([C:6]([H:16])([H:17])[H:18])[C:7]([H:19])([H:20])[H:21])([H:8])([H:9])[H:10],[C:1]([C:2]([C:5]([C:3](=[C:4]([H:13])[H:14])[H:12])([C:6]([H:16])([H:17])[H:18])[C:7]([H:19])([H:20])[H:21])([H:8])[H:11])([H:9])([H:10])[H:15],"InChI=1S/C7H14/c1-5-6(2)7(5,3)4/h5-6H,1-4H3/t5-,6+","InChI=1S/C7H14/c1-5-7(3,4)6-2/h5H,1,6H2,2-4H3",76.13753,-4.62931,
13263,[C:1]([C@@:2]1([H:11])[C@:3]([C:4]([H:13])([H:14])[H:15])([H:12])[C:5]1([C:6]([H:16])([H:17])[H:18])[C:7]([H:19])([H:20])[H:21])([H:8])([H:9])[H:10],[C:1](=[C:2]1[C@:3]([C:4]([H:13])([H:14])[H:15])([H:12])[C:5]1([C:6]([H:16])([H:17])[H:18])[C:7]([H:19])([H:20])[H:21])([H:9])[H:10].[H:8][H:11],"InChI=1S/C7H14/c1-5-6(2)7(5,3)4/h5-6H,1-4H3/t5-,6+","InChI=1S/C7H12.H2/c1-5-6(2)7(5,3)4;/h6H,1H2,2-4H3;1H/t6-;/m1./s1",109.40655,35.990190000000005,
13264,[C:1]([C@@:2]1([H:11])[C@:3]([C:4]([H:13])([H:14])[H:15])([H:12])[C:5]1([C:6]([H:16])([H:17])[H:18])[C:7]([H:19])([H:20])[H:21])([H:8])([H:9])[H:10],[C:1]([C@@:2]([C:3][H:12])([C:5]([C:4]([H:13])([H:14])[H:15])([C:6]([H:16])([H:17])[H:18])[C:7]([H:19])([H:20])[H:21])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C7H14/c1-5-6(2)7(5,3)4/h5-6H,1-4H3/t5-,6+","InChI=1S/C7H14/c1-6(2)7(3,4)5/h1,6H,2-5H3/t6-/m1/s1",94.05637,81.15635,
13265,[C:1]([C@@:2]1([H:11])[C@:3]([C:4]([H:13])([H:14])[H:15])([H:12])[C:5]1([C:6]([H:16])([H:17])[H:18])[C:7]([H:19])([H:20])[H:21])([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:3](\[C:4]([H:13])([H:14])[H:15])[H:12])[H:11])([H:8])([H:9])[H:10].[C:5]([C:6]([H:16])([H:17])[H:18])(=[C:7]([H:19])[H:20])[H:21],"InChI=1S/C7H14/c1-5-6(2)7(5,3)4/h5-6H,1-4H3/t5-,6+","InChI=1S/C4H8.C3H6/c1-3-4-2;1-3-2/h3-4H,1-2H3;3H,1H2,2H3/b4-3-;",86.64878,14.34171,
13266,[N:1]([c:2]1[c:3]([H:10])[c:4]([O:5][H:11])[c:6]([H:12])[o:7]1)([H:8])[H:9],[N:1](=[C:2]1/[C:3]([H:9])([H:10])[C:4]([O:5][H:11])=[C:6]([H:12])[O:7]1)\[H:8],"InChI=1S/C4H5NO2/c5-4-1-3(6)2-7-4/h1-2,6H,5H2","InChI=1S/C4H5NO2/c5-4-1-3(6)2-7-4/h2,5-6H,1H2/b5-4-",66.5997,3.71024,
13267,[N:1]([c:2]1[c:3]([H:10])[c:4]([O:5][H:11])[c:6]([H:12])[o:7]1)([H:8])[H:9],[N:1]([C:2]12[C-:3]([H:10])[C:4]1([C+:6]([O:5][H:11])[H:12])[O:7]2)([H:8])[H:9],"InChI=1S/C4H5NO2/c5-4-1-3(6)2-7-4/h1-2,6H,5H2","InChI=1S/C4H5NO2/c5-4-1-3(4,2-6)7-4/h1-2,6H,5H2",70.08828000000001,40.938179999999996,
13268,[N:1]([c:2]1[c:3]([H:10])[c:4]([O:5][H:11])[c:6]([H:12])[o:7]1)([H:8])[H:9],[N:1]([C:2](=[C:3]=[C:4]([O:5][H:11])[C:6](=[O:7])[H:12])[H:10])([H:8])[H:9],"InChI=1S/C4H5NO2/c5-4-1-3(6)2-7-4/h1-2,6H,5H2","InChI=1S/C4H5NO2/c5-2-1-4(7)3-6/h2-3,7H,5H2",65.08359,22.65101,
13269,[N:1]([c:2]1[c:3]([H:10])[c:4]([O:5][H:11])[c:6]([H:12])[o:7]1)([H:8])[H:9],[N:1]([C:2]1=[O+:7][C:6]([H:12])=[C:4]([O-:5])[C:3]1([H:10])[H:11])([H:8])[H:9],"InChI=1S/C4H5NO2/c5-4-1-3(6)2-7-4/h1-2,6H,5H2","InChI=1S/C4H5NO2/c5-4-1-3(6)2-7-4/h2H,1,5H2",59.19927,22.25028,
13270,[N:1]([c:2]1[c:3]([H:10])[c:4]([O:5][H:11])[c:6]([H:12])[o:7]1)([H:8])[H:9],[N:1]([C@:2]12[C:3]([H:10])=[C:4]([O:5][H:11])[C@@:6]1([H:12])[O:7]2)([H:8])[H:9],"InChI=1S/C4H5NO2/c5-4-1-3(6)2-7-4/h1-2,6H,5H2","InChI=1S/C4H5NO2/c5-4-1-2(6)3(4)7-4/h1,3,6H,5H2/t3-,4+/m1/s1",71.36081999999999,59.44633,Intra_2+2_cycloaddition_Cd
13271,[N:1]([c:2]1[c:3]([H:10])[c:4]([O:5][H:11])[c:6]([H:12])[o:7]1)([H:8])[H:9],[N:1]([C:2]1=[C:3]([H:10])[C@@:4]([O:5][H:11])([H:12])[C-:6]=[O+:7]1)([H:8])[H:9],"InChI=1S/C4H5NO2/c5-4-1-3(6)2-7-4/h1-2,6H,5H2","InChI=1S/C4H5NO2/c5-4-1-3(6)2-7-4/h1,3,6H,5H2/t3-/m0/s1",63.75833000000001,64.55830999999999,Singlet_Carbene_Intra_Disproportionation
13272,[N:1]([c:2]1[c:3]([H:10])[c:4]([O:5][H:11])[c:6]([H:12])[o:7]1)([H:8])[H:9],[N:1]([C:2]1=[C:3]([H:10])[C:4](=[O:5])[C:6]([H:11])([H:12])[O:7]1)([H:8])[H:9],"InChI=1S/C4H5NO2/c5-4-1-3(6)2-7-4/h1-2,6H,5H2","InChI=1S/C4H5NO2/c5-4-1-3(6)2-7-4/h1H,2,5H2",44.10155,-14.66182,ketoenol
13273,[N:1]([c:2]1[c:3]([H:10])[c:4]([O:5][H:11])[c:6]([H:12])[o:7]1)([H:8])[H:9],[N:1]([C-:2]=[O+:7][C@@:6]1([H:12])[C:3]([H:10])=[C:4]1[O:5][H:11])([H:8])[H:9],"InChI=1S/C4H5NO2/c5-4-1-3(6)2-7-4/h1-2,6H,5H2","InChI=1S/C4H5NO2/c5-2-7-4-1-3(4)6/h1,4,6H,5H2/t4-/m0/s1",105.33774,76.0847,
13274,[N:1]([c:2]1[c:3]([H:10])[c:4]([O:5][H:11])[c:6]([H:12])[o:7]1)([H:8])[H:9],[N:1]([C:2]1=[C:3]=[C:4]([O:5][H:11])[C:6]([H:10])([H:12])[O:7]1)([H:8])[H:9],"InChI=1S/C4H5NO2/c5-4-1-3(6)2-7-4/h1-2,6H,5H2","InChI=1S/C4H5NO2/c5-4-1-3(6)2-7-4/h6H,2,5H2",81.40634,27.29366,
13275,[N:1]([c:2]1[c:3]([H:10])[c:4]([O:5][H:11])[c:6]([H:12])[o:7]1)([H:8])[H:9],[N:1]([C:2]([C:3](=[C:4]=[C:6]([O:5][H:11])[H:12])[H:10])=[O:7])([H:8])[H:9],"InChI=1S/C4H5NO2/c5-4-1-3(6)2-7-4/h1-2,6H,5H2","InChI=1S/C4H5NO2/c5-4(7)2-1-3-6/h2-3,6H,(H2,5,7)",70.09075,7.45487,
13276,[N:1]([c:2]1[c:3]([H:10])[c:4]([O:5][H:11])[c:6]([H:12])[o:7]1)([H:8])[H:9],[N:1](=[C:2]([C:3](=[C:4](/[O:5][H:11])[C:6](=[O:7])[H:12])/[H:10])\[H:9])\[H:8],"InChI=1S/C4H5NO2/c5-4-1-3(6)2-7-4/h1-2,6H,5H2","InChI=1S/C4H5NO2/c5-2-1-4(7)3-6/h1-3,5,7H/b4-1+,5-2+",67.71466,5.66017,
13277,[N:1]([c:2]1[c:3]([H:10])[c:4]([O:5][H:11])[c:6]([H:12])[o:7]1)([H:8])[H:9],[N:1](=[C:2]=[C:3]([C:4]([O:5][H:11])=[C:6]([O:7][H:8])[H:12])[H:10])[H:9],"InChI=1S/C4H5NO2/c5-4-1-3(6)2-7-4/h1-2,6H,5H2","InChI=1S/C4H5NO2/c5-2-1-4(7)3-6/h1,3,5-7H",67.78902,23.25827,
13278,[N:1]([c:2]1[c:3]([H:10])[c:4]([O:5][H:11])[c:6]([H:12])[o:7]1)([H:8])[H:9],[N:1]([C:2]#[C:3][C@:4]([O:5][H:11])([C:6](=[O:7])[H:12])[H:10])([H:8])[H:9],"InChI=1S/C4H5NO2/c5-4-1-3(6)2-7-4/h1-2,6H,5H2","InChI=1S/C4H5NO2/c5-2-1-4(7)3-6/h3-4,7H,5H2/t4-/m0/s1",80.49159,37.71676,
13279,[N:1]([c:2]1[c:3]([H:10])[c:4]([O:5][H:11])[c:6]([H:12])[o:7]1)([H:8])[H:9],[N:1](=[C:2]1\[C:3]([H:10])=[C:4]([O:5][H:11])[C:6]([H:8])([H:12])[O:7]1)\[H:9],"InChI=1S/C4H5NO2/c5-4-1-3(6)2-7-4/h1-2,6H,5H2","InChI=1S/C4H5NO2/c5-4-1-3(6)2-7-4/h1,5-6H,2H2/b5-4+",80.61653000000001,-3.28714,
13280,[N:1]([c:2]1[c:3]([H:10])[c:4]([O:5][H:11])[c:6]([H:12])[o:7]1)([H:8])[H:9],[N:1]([C@@:3]1([H:10])[C-:2]=[O+:7][C:6]([H:12])=[C:4]1[O:5][H:11])([H:8])[H:9],"InChI=1S/C4H5NO2/c5-4-1-3(6)2-7-4/h1-2,6H,5H2","InChI=1S/C4H5NO2/c5-3-1-7-2-4(3)6/h2-3,6H,5H2/t3-/m0/s1",82.73210999999999,63.22667,
13281,[N:1]([c:2]1[c:3]([H:10])[c:4]([O:5][H:11])[c:6]([H:12])[o:7]1)([H:8])[H:9],[N:1]([C:2]([C@@:3]1([H:10])[C:4]([O:5][H:11])=[C:6]1[H:12])=[O:7])([H:8])[H:9],"InChI=1S/C4H5NO2/c5-4-1-3(6)2-7-4/h1-2,6H,5H2","InChI=1S/C4H5NO2/c5-4(7)2-1-3(2)6/h1-2,6H,(H2,5,7)/t2-/m1/s1",57.04976,24.26374,ketoenol
13282,[C:1]([C:2]([C:3]([N:4]1[C:5]([H:15])([H:16])[C@:6]1([C:7]([H:18])([H:19])[H:20])[H:17])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([C:5](/[N:4]=[C:6](\[C:7]([H:18])([H:19])[H:20])[H:17])([H:15])[H:16])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H13N/c1-3-4-7-5-6(7)2/h6H,3-5H2,1-2H3/t6-,7?/m1/s1","InChI=1S/C6H13N/c1-3-5-6-7-4-2/h4H,3,5-6H2,1-2H3/b7-4-",87.97589,-16.686220000000002,
13283,[C:1]([C:2]([C:3]([N:4]1[C:5]([H:15])([H:16])[C@:6]1([C:7]([H:18])([H:19])[H:20])[H:17])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([N+:4]1([H:15])[C-:5]([H:16])[C@:6]1([C:7]([H:18])([H:19])[H:20])[H:17])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H13N/c1-3-4-7-5-6(7)2/h6H,3-5H2,1-2H3/t6-,7?/m1/s1","InChI=1S/C6H13N/c1-3-4-7-5-6(7)2/h5-7H,3-4H2,1-2H3/t6-/m1/s1",62.64363,52.25138,
13284,[C:1]([C:2]([C:3]([N:4]1[C:5]([H:15])([H:16])[C@:6]1([C:7]([H:18])([H:19])[H:20])[H:17])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C-:3]([N+:4]1=[C:5]([H:15])[C@:6]1([C:7]([H:18])([H:19])[H:20])[H:17])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10].[H:13][H:16],"InChI=1S/C6H13N/c1-3-4-7-5-6(7)2/h6H,3-5H2,1-2H3/t6-,7?/m1/s1","InChI=1S/C6H11N.H2/c1-3-4-7-5-6(7)2;/h4-6H,3H2,1-2H3;1H/t6-;/m1./s1",67.12699,62.43569,
13285,[C:1]([C:2]([C:3]([N:4]1[C:5]([H:15])([H:16])[C@:6]1([C:7]([H:18])([H:19])[H:20])[H:17])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([N:4]=[C:5]([H:15])[H:16])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10].[C:6](=[C:7]([H:19])[H:20])([H:17])[H:18],"InChI=1S/C6H13N/c1-3-4-7-5-6(7)2/h6H,3-5H2,1-2H3/t6-,7?/m1/s1","InChI=1S/C4H9N.C2H4/c1-3-4-5-2;1-2/h2-4H2,1H3;1-2H2",77.66824,9.677769999999999,
13286,[C:1]([C:2]([C:3]([N:4]1[C:5]([H:15])([H:16])[C@:6]1([C:7]([H:18])([H:19])[H:20])[H:17])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([N+:4]1([C:7]([H:18])([H:19])[H:20])[C:5]([H:15])([H:16])[C-:6]1[H:17])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H13N/c1-3-4-7-5-6(7)2/h6H,3-5H2,1-2H3/t6-,7?/m1/s1","InChI=1S/C6H13N/c1-3-4-7(2)5-6-7/h5H,3-4,6H2,1-2H3",100.72776,60.126169999999995,
13287,[C:1]([C:2]([C:3]([N:4]1[C:5]([H:15])([H:16])[C@:6]1([C:7]([H:18])([H:19])[H:20])[H:17])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([H:11])([H:12])[H:18])([H:8])([H:9])[H:10].[C:3](=[N:4][C:5]([C:6](=[C:7]([H:19])[H:20])[H:17])([H:15])[H:16])([H:13])[H:14],"InChI=1S/C6H13N/c1-3-4-7-5-6(7)2/h6H,3-5H2,1-2H3/t6-,7?/m1/s1","InChI=1S/C4H7N.C2H6/c1-3-4-5-2;1-2/h3H,1-2,4H2;1-2H3",82.93791999999999,8.28627,
13288,[C:1]([C:2]([C:3]([N:4]1[C:5]([H:15])([H:16])[C@:6]1([C:7]([H:18])([H:19])[H:20])[H:17])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([N+:4]([C-:5]([H:15])[H:16])=[C:6]([C:7]([H:18])([H:19])[H:20])[H:17])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H13N/c1-3-4-7-5-6(7)2/h6H,3-5H2,1-2H3/t6-,7?/m1/s1","InChI=1S/C6H13N/c1-4-6-7(3)5-2/h5H,3-4,6H2,1-2H3",37.20729,22.032329999999998,
13289,[C:1]([C:2]([C:3]([N:4]1[C:5]([H:15])([H:16])[C@:6]1([C:7]([H:18])([H:19])[H:20])[H:17])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]([H:13])[H:14])[H:11])([H:8])([H:9])[H:10].[H:12][H:16].[N:4]1=[C:5]([H:15])[C@:6]1([C:7]([H:18])([H:19])[H:20])[H:17],"InChI=1S/C6H13N/c1-3-4-7-5-6(7)2/h6H,3-5H2,1-2H3/t6-,7?/m1/s1","InChI=1S/C3H5N.C3H6.H2/c1-3-2-4-3;1-3-2;/h2-3H,1H3;3H,1H2,2H3;1H/t3-;;/m1../s1",71.54398,51.80723,
13290,[C:1]([C:2]([C:3]([N:4]1[C:5]([H:15])([H:16])[C@:6]1([C:7]([H:18])([H:19])[H:20])[H:17])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([N+:4]1([H:17])[C:5]([H:15])([H:16])[C-:6]1[C:7]([H:18])([H:19])[H:20])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H13N/c1-3-4-7-5-6(7)2/h6H,3-5H2,1-2H3/t6-,7?/m1/s1","InChI=1S/C6H13N/c1-3-4-7-5-6(7)2/h7H,3-5H2,1-2H3",69.81235,50.87942,
13291,[C:1]([C:2]([C:3]([N:4]1[C:5]([H:15])([H:16])[C@:6]1([C:7]([H:18])([H:19])[H:20])[H:17])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C-:3]([N+:4]1=[C:5]([H:15])[C@:6]1([C:7]([H:18])([H:19])[H:20])[H:17])([H:13])[H:14].[C:1]([C:2]([H:11])([H:12])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H13N/c1-3-4-7-5-6(7)2/h6H,3-5H2,1-2H3/t6-,7?/m1/s1","InChI=1S/C4H7N.C2H6/c1-4-3-5(4)2;1-2/h3-4H,2H2,1H3;1-2H3/t4-;/m1./s1",77.18088,54.34913,
13292,[C:1]([C:2]([C:3]([N:4]1[C:5]([H:15])([H:16])[C@:6]1([C:7]([H:18])([H:19])[H:20])[H:17])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3](/[N:4]=[C:5](\[C:6](=[C:7]([H:19])[H:20])[H:17])[H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10].[H:16][H:18],"InChI=1S/C6H13N/c1-3-4-7-5-6(7)2/h6H,3-5H2,1-2H3/t6-,7?/m1/s1","InChI=1S/C6H11N.H2/c1-3-5-7-6-4-2;/h3,5H,1,4,6H2,2H3;1H/b7-5-;",118.47601,11.0106,
13293,[C:1]([C:2]([C:3]([N:4]1[C:5]([H:15])([H:16])[C@:6]1([C:7]([H:18])([H:19])[H:20])[H:17])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([C@@:6]([N:4]=[C:5]([H:15])[H:16])([C:7]([H:18])([H:19])[H:20])[H:17])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H13N/c1-3-4-7-5-6(7)2/h6H,3-5H2,1-2H3/t6-,7?/m1/s1","InChI=1S/C6H13N/c1-4-5-6(2)7-3/h6H,3-5H2,1-2H3/t6-/m0/s1",87.6852,-14.9373,
13294,[C:1]([C:2]([C:3]([N:4]1[C:5]([H:15])([H:16])[C@:6]1([C:7]([H:18])([H:19])[H:20])[H:17])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C-:2]1([H:11])[C:3]([H:13])([H:14])[N+:4]12[C:5]([H:15])([H:16])[C@:6]2([C:7]([H:18])([H:19])[H:20])[H:17].[C:1]([H:8])([H:9])([H:10])[H:12],"InChI=1S/C6H13N/c1-3-4-7-5-6(7)2/h6H,3-5H2,1-2H3/t6-,7?/m1/s1","InChI=1S/C5H9N.CH4/c1-5-4-6(5)2-3-6;/h2,5H,3-4H2,1H3;1H4/t5-,6?;/m1./s1",93.85710999999999,86.56097,
13295,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[O:3][C:4]([H:12])([H:13])[C:5]([H:14])=[C:6]([H:15])[C:7]1([H:16])[H:17],[C:1]([C:2]([O:3][C:4]([C:5]#[C:6][H:15])([H:12])[H:13])([H:10])[H:11])([C:7]([H:14])([H:16])[H:17])([H:8])[H:9],"InChI=1S/C6H10O/c1-2-4-6-7-5-3-1/h1,3H,2,4-6H2","InChI=1S/C6H10O/c1-3-5-7-6-4-2/h1H,4-6H2,2H3",95.61272,30.201859999999996,
13296,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[O:3][C:4]([H:12])([H:13])[C:5]([H:14])=[C:6]([H:15])[C:7]1([H:16])[H:17],[C:1]([C:2]([H:9])([H:10])[H:11])([C:7](/[C:6](=[C:5](\[C:4](=[O:3])[H:13])[H:14])[H:15])([H:16])[H:17])([H:8])[H:12],"InChI=1S/C6H10O/c1-2-4-6-7-5-3-1/h1,3H,2,4-6H2","InChI=1S/C6H10O/c1-2-3-4-5-6-7/h4-6H,2-3H2,1H3/b5-4-",79.5537,-9.746960000000001,
13297,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[O:3][C:4]([H:12])([H:13])[C:5]([H:14])=[C:6]([H:15])[C:7]1([H:16])[H:17],[C:1](=[C:2]([H:10])[H:11])([C:7](/[C:6](=[C:5](\[C:4]([O:3][H:9])([H:12])[H:13])[H:14])[H:15])([H:16])[H:17])[H:8],"InChI=1S/C6H10O/c1-2-4-6-7-5-3-1/h1,3H,2,4-6H2","InChI=1S/C6H10O/c1-2-3-4-5-6-7/h2,4-5,7H,1,3,6H2/b5-4-",58.77166,6.8323100000000005,
13298,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[O:3][C:4]([H:12])([H:13])[C:5]([H:14])=[C:6]([H:15])[C:7]1([H:16])[H:17],[C:1]([C:2](=[O:3])[H:10])([C:7]([C:6]([C:5](=[C:4]([H:12])[H:13])[H:14])([H:11])[H:15])([H:16])[H:17])([H:8])[H:9],"InChI=1S/C6H10O/c1-2-4-6-7-5-3-1/h1,3H,2,4-6H2","InChI=1S/C6H10O/c1-2-3-4-5-6-7/h2,6H,1,3-5H2",40.93884,-3.22357,
13299,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[O:3][C:4]([H:12])([H:13])[C:5]([H:14])=[C:6]([H:15])[C:7]1([H:16])[H:17],[C:1]([C:2]([O:3][H:12])([H:10])[H:11])([C:7](/[C:6](=[C:5](\[C:4][H:13])[H:14])[H:15])([H:16])[H:17])([H:8])[H:9],"InChI=1S/C6H10O/c1-2-4-6-7-5-3-1/h1,3H,2,4-6H2","InChI=1S/C6H10O/c1-2-3-4-5-6-7/h1-3,7H,4-6H2/b3-2-",72.85905,71.59716,
13300,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[O:3][C:4]([H:12])([H:13])[C:5]([H:14])=[C:6]([H:15])[C:7]1([H:16])[H:17],[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[O+:3]=[C-:4][C:5]([H:14])=[C:6]([H:15])[C:7]1([H:16])[H:17].[H:12][H:13],"InChI=1S/C6H10O/c1-2-4-6-7-5-3-1/h1,3H,2,4-6H2","InChI=1S/C6H8O.H2/c1-2-4-6-7-5-3-1;/h1,3H,2,4,6H2;1H",71.64887,72.47809000000001,
13301,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[O:3][C:4]([H:12])([H:13])[C:5]([H:14])=[C:6]([H:15])[C:7]1([H:16])[H:17],[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[O:3][C:4]([H:12])=[C:5]([H:14])[C:6]([H:15])=[C:7]1[H:17].[H:13][H:16],"InChI=1S/C6H10O/c1-2-4-6-7-5-3-1/h1,3H,2,4-6H2","InChI=1S/C6H8O.H2/c1-2-4-6-7-5-3-1;/h1-3,5H,4,6H2;1H",46.24078,15.00823,
13302,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[O:3][C:4]([H:12])([H:13])[C:5]([H:14])=[C:6]([H:15])[C:7]1([H:16])[H:17],[C:1]([C:2]([O:3][H:14])([H:10])[H:11])([C:7]([C:6](=[C:5]=[C:4]([H:12])[H:13])[H:15])([H:16])[H:17])([H:8])[H:9],"InChI=1S/C6H10O/c1-2-4-6-7-5-3-1/h1,3H,2,4-6H2","InChI=1S/C6H10O/c1-2-3-4-5-6-7/h3,7H,1,4-6H2",98.14288,13.8858,
13303,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[O:3][C:4]([H:12])([H:13])[C:5]([H:14])=[C:6]([H:15])[C:7]1([H:16])[H:17],[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[O:3][C:4]([H:12])=[C:5]([H:14])[C:6]([H:13])([H:15])[C:7]1([H:16])[H:17],"InChI=1S/C6H10O/c1-2-4-6-7-5-3-1/h1,3H,2,4-6H2","InChI=1S/C6H10O/c1-2-4-6-7-5-3-1/h3,5H,1-2,4,6H2",60.91489,-4.52137,
13304,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[O:3][C:4]([H:12])([H:13])[C:5]([H:14])=[C:6]([H:15])[C:7]1([H:16])[H:17],[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[O:3][C:4]([H:12])([H:13])[C@:5]1([C:6](=[C:7]([H:16])[H:17])[H:15])[H:14],"InChI=1S/C6H10O/c1-2-4-6-7-5-3-1/h1,3H,2,4-6H2","InChI=1S/C6H10O/c1-2-6-3-4-7-5-6/h2,6H,1,3-5H2/t6-/m0/s1",69.50968,1.7470599999999998,
13305,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[O:3][C:4]([H:12])([H:13])[C:5]([H:14])=[C:6]([H:15])[C:7]1([H:16])[H:17],[C:1]1([H:8])([H:9])[C:2]([H:10])=[O+:3][C:4]([H:12])([H:13])[C:5]([H:14])=[C-:6][C:7]1([H:16])[H:17].[H:11][H:15],"InChI=1S/C6H10O/c1-2-4-6-7-5-3-1/h1,3H,2,4-6H2","InChI=1S/C6H8O.H2/c1-2-4-6-7-5-3-1;/h4-5H,1,3,6H2;1H",103.13897,99.00494,
13306,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[O:3][C:4]([H:12])([H:13])[C:5]([H:14])=[C:6]([H:15])[C:7]1([H:16])[H:17],[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[O:3][C:5]([C:4]([H:12])([H:13])[H:14])=[C:6]([H:15])[C:7]1([H:16])[H:17],"InChI=1S/C6H10O/c1-2-4-6-7-5-3-1/h1,3H,2,4-6H2","InChI=1S/C6H10O/c1-6-4-2-3-5-7-6/h4H,2-3,5H2,1H3",100.65167,-14.22105,
13307,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[O:3][C:4]([H:12])([H:13])[C:5]([H:14])=[C:6]([H:15])[C:7]1([H:16])[H:17],[C:1]([C:2]([O:3]/[C:4](=[C:5](\[C:6](=[C:7]([H:16])[H:17])[H:15])[H:14])[H:13])([H:10])[H:11])([H:8])([H:9])[H:12],"InChI=1S/C6H10O/c1-2-4-6-7-5-3-1/h1,3H,2,4-6H2","InChI=1S/C6H10O/c1-3-5-6-7-4-2/h3,5-6H,1,4H2,2H3/b6-5-",68.91866,5.9667,
13308,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[O:3][C:4]([H:12])([H:13])[C:5]([H:14])=[C:6]([H:15])[C:7]1([H:16])[H:17],[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[O:3][C@@:6]([C:5](=[C:4]([H:12])[H:13])[H:14])([H:15])[C:7]1([H:16])[H:17],"InChI=1S/C6H10O/c1-2-4-6-7-5-3-1/h1,3H,2,4-6H2","InChI=1S/C6H10O/c1-2-6-4-3-5-7-6/h2,6H,1,3-5H2/t6-/m1/s1",56.14111,-1.23058,
13309,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[O:3][C:4]([H:12])([H:13])[C:5]([H:14])=[C:6]([H:15])[C:7]1([H:16])[H:17],[C:1](=[C:2]([O:3][C:4]([C:5]([C:6](=[C:7]([H:16])[H:17])[H:15])([H:10])[H:14])([H:12])[H:13])[H:11])([H:8])[H:9],"InChI=1S/C6H10O/c1-2-4-6-7-5-3-1/h1,3H,2,4-6H2","InChI=1S/C6H10O/c1-3-5-6-7-4-2/h3-4H,1-2,5-6H2",53.99105,13.10672,
13310,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[O:3][C:4]([H:12])([H:13])[C:5]([H:14])=[C:6]([H:15])[C:7]1([H:16])[H:17],[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[O:3][C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6][C:7]1([H:16])[H:17],"InChI=1S/C6H10O/c1-2-4-6-7-5-3-1/h1,3H,2,4-6H2","InChI=1S/C6H10O/c1-2-4-6-7-5-3-1/h1,3-6H2",72.68999000000001,75.46961,Singlet_Carbene_Intra_Disproportionation
13311,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[O:3][C:4]([H:12])([H:13])[C:5]([H:14])=[C:6]([H:15])[C:7]1([H:16])[H:17],[C:1]([C:7]([C:6](=[C:5]([C:4](=[O+:3][C-:2]([H:10])[H:11])[H:13])[H:14])[H:15])([H:16])[H:17])([H:8])([H:9])[H:12],"InChI=1S/C6H10O/c1-2-4-6-7-5-3-1/h1,3H,2,4-6H2","InChI=1S/C6H10O/c1-3-4-5-6-7-2/h4-6H,2-3H2,1H3",82.20895,47.57635,
13312,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[O:3][C:4]([H:12])([H:13])[C:5]([H:14])=[C:6]([H:15])[C:7]1([H:16])[H:17],[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[O:3][C:4]([H:12])([H:13])[C:5][C:6]([H:14])([H:15])[C:7]1([H:16])[H:17],"InChI=1S/C6H10O/c1-2-4-6-7-5-3-1/h1,3H,2,4-6H2","InChI=1S/C6H10O/c1-2-4-6-7-5-3-1/h1-3,5-6H2",68.87168,71.7894,Singlet_Carbene_Intra_Disproportionation
13313,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[O:3][C:4]([H:12])([H:13])[C:5]([H:14])=[C:6]([H:15])[C:7]1([H:16])[H:17],[C:1]([C:2](=[O:3])[H:11])([C:7]([C:6]1([H:15])[C:4]([H:12])([H:13])[C:5]1([H:10])[H:14])([H:16])[H:17])([H:8])[H:9],"InChI=1S/C6H10O/c1-2-4-6-7-5-3-1/h1,3H,2,4-6H2","InChI=1S/C6H10O/c7-5-1-2-6-3-4-6/h5-6H,1-4H2",72.6553,3.4921300000000004,
13314,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[O:3][C:4]([H:12])([H:13])[C:5]([H:14])=[C:6]([H:15])[C:7]1([H:16])[H:17],[C:1](=[C:2]([H:10])[H:11])([H:8])[H:9].[O:3]1[C:4]([H:12])([H:13])[C:5]([H:14])=[C:6]([H:15])[C:7]1([H:16])[H:17],"InChI=1S/C6H10O/c1-2-4-6-7-5-3-1/h1,3H,2,4-6H2","InChI=1S/C4H6O.C2H4/c1-2-4-5-3-1;1-2/h1-2H,3-4H2;1-2H2",84.40843000000001,23.53504,
13315,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[O:3][C:4]([H:12])([H:13])[C:5]([H:14])=[C:6]([H:15])[C:7]1([H:16])[H:17],[C:1]1([H:9])=[C:2]([H:10])[O:3][C:4]([H:12])([H:13])[C:5]([H:14])=[C:6]([H:15])[C:7]1([H:16])[H:17].[H:8][H:11],"InChI=1S/C6H10O/c1-2-4-6-7-5-3-1/h1,3H,2,4-6H2","InChI=1S/C6H8O.H2/c1-2-4-6-7-5-3-1;/h1,3-4,6H,2,5H2;1H",95.03097,25.56271,
13316,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[O:3][C:4]([H:12])([H:13])[C:5]([H:14])=[C:6]([H:15])[C:7]1([H:16])[H:17],[C:1](=[C:2]([O:3][C:4](/[C:5](=[C:6](\[C:7]([H:9])([H:16])[H:17])[H:15])[H:14])([H:12])[H:13])[H:11])([H:8])[H:10],"InChI=1S/C6H10O/c1-2-4-6-7-5-3-1/h1,3H,2,4-6H2","InChI=1S/C6H10O/c1-3-5-6-7-4-2/h3-5H,2,6H2,1H3/b5-3-",87.74816,10.04069,
13317,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[O:3][C:4]([H:12])([H:13])[C:5]([H:14])=[C:6]([H:15])[C:7]1([H:16])[H:17],[C:1]([C:7](/[C:6](=[C:5](\[C:4]([O+:3]=[C-:2][H:11])([H:12])[H:13])[H:14])[H:15])([H:16])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-2-4-6-7-5-3-1/h1,3H,2,4-6H2","InChI=1S/C6H10O/c1-3-4-5-6-7-2/h2,4-5H,3,6H2,1H3/b5-4-",69.49113,63.694109999999995,
13318,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[O:3][C:4]([H:12])([H:13])[C:5]([H:14])=[C:6]([H:15])[C:7]1([H:16])[H:17],[C:1]1([H:8])([H:9])[O:3][C:4]([H:12])([H:13])[C:5]([H:14])=[C:6]([H:15])[C:7]1([H:16])[H:17].[C:2]([H:10])[H:11],"InChI=1S/C6H10O/c1-2-4-6-7-5-3-1/h1,3H,2,4-6H2","InChI=1S/C5H8O.CH2/c1-2-4-6-5-3-1;/h1-2H,3-5H2;1H2",109.33658,114.33846000000001,
13319,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[O:3][C:4]([H:12])([H:13])[C:5]([H:14])=[C:6]([H:15])[C:7]1([H:16])[H:17],[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[O:3][C:4]([H:12])([H:13])[C@@:5]([C:6][H:15])([H:14])[C:7]1([H:16])[H:17],"InChI=1S/C6H10O/c1-2-4-6-7-5-3-1/h1,3H,2,4-6H2","InChI=1S/C6H10O/c1-6-3-2-4-7-5-6/h1,6H,2-5H2/t6-/m1/s1",80.07068000000001,82.13401999999999,
13320,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[O:3][C:4]([H:12])([H:13])[C:5]([H:14])=[C:6]([H:15])[C:7]1([H:16])[H:17],[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[O:3][C:4]([H:12])([H:13])[C:5]([H:14])([H:16])[C:6]([H:15])=[C:7]1[H:17],"InChI=1S/C6H10O/c1-2-4-6-7-5-3-1/h1,3H,2,4-6H2","InChI=1S/C6H10O/c1-2-4-6-7-5-3-1/h1-2H,3-6H2",69.4491,-0.1361,
13321,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[O:3][C:4]([H:12])([H:13])[C:5]([H:14])=[C:6]([H:15])[C:7]1([H:16])[H:17],[C:1](=[C:2]([H:10])[H:11])([H:8])[H:9].[O:3]=[C:4](/[C:5](=[C:6](\[C:7]([H:12])([H:16])[H:17])[H:15])[H:14])[H:13],"InChI=1S/C6H10O/c1-2-4-6-7-5-3-1/h1,3H,2,4-6H2","InChI=1S/C4H6O.C2H4/c1-2-3-4-5;1-2/h2-4H,1H3;1-2H2/b3-2-;",90.19502,12.80053,
13322,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[O:3][C:4]([H:12])([H:13])[C:5]([H:14])=[C:6]([H:15])[C:7]1([H:16])[H:17],[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[O+:3]=[C:4]([H:13])[C:5]([H:12])([H:14])[C-:6]([H:15])[C:7]1([H:16])[H:17],"InChI=1S/C6H10O/c1-2-4-6-7-5-3-1/h1,3H,2,4-6H2","InChI=1S/C6H10O/c1-2-4-6-7-5-3-1/h1,5H,2-4,6H2",68.95854,71.64948000000001,
13323,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[O:3][C:4]([H:12])([H:13])[C:5]([H:14])=[C:6]([H:15])[C:7]1([H:16])[H:17],[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[O:3][C:4]([H:13])=[C:5]=[C:6]([H:15])[C:7]1([H:16])[H:17].[H:12][H:14],"InChI=1S/C6H10O/c1-2-4-6-7-5-3-1/h1,3H,2,4-6H2","InChI=1S/C6H8O.H2/c1-2-4-6-7-5-3-1;/h1,5H,2,4,6H2;1H",74.77493,48.01993,
13324,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[O:3][C:4]([H:12])([H:13])[C:5]([H:14])=[C:6]([H:15])[C:7]1([H:16])[H:17],[C:1](=[C:2]([H:10])[H:11])([H:8])[H:9].[O:3]1[C:4]([H:12])([H:13])[C@:5]1([C:6](=[C:7]([H:16])[H:17])[H:15])[H:14],"InChI=1S/C6H10O/c1-2-4-6-7-5-3-1/h1,3H,2,4-6H2","InChI=1S/C4H6O.C2H4/c1-2-4-3-5-4;1-2/h2,4H,1,3H2;1-2H2/t4-;/m1./s1",73.44293,40.32108,
13325,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[O:3][C:4]([H:12])([H:13])[C:5]([H:14])=[C:6]([H:15])[C:7]1([H:16])[H:17],[C:1]([C:2]([O:3][H:16])([H:10])[H:11])(/[C:7](=[C:6](\[C:5](=[C:4]([H:12])[H:13])[H:14])[H:15])[H:17])([H:8])[H:9],"InChI=1S/C6H10O/c1-2-4-6-7-5-3-1/h1,3H,2,4-6H2","InChI=1S/C6H10O/c1-2-3-4-5-6-7/h2-4,7H,1,5-6H2/b4-3-",59.24694,1.59176,
13326,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[O:3][C:4]([H:12])([H:13])[C:5]([H:14])=[C:6]([H:15])[C:7]1([H:16])[H:17],[C:1]([C:2]([O:3][C:4]([C:5](=[C:6]([H:15])[H:16])[H:14])([H:12])[H:13])([H:10])[H:11])(=[C:7]([H:9])[H:17])[H:8],"InChI=1S/C6H10O/c1-2-4-6-7-5-3-1/h1,3H,2,4-6H2","InChI=1S/C6H10O/c1-3-5-7-6-4-2/h3-4H,1-2,5-6H2",117.81921000000001,19.23742,
13327,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[O:3][C:4]([H:12])([H:13])[C:5]([H:14])=[C:6]([H:15])[C:7]1([H:16])[H:17],[C:1]([C:2]([O:3][C:4](/[C:5](=[C:6](\[C:7][H:16])[H:15])[H:14])([H:12])[H:13])([H:10])[H:11])([H:8])([H:9])[H:17],"InChI=1S/C6H10O/c1-2-4-6-7-5-3-1/h1,3H,2,4-6H2","InChI=1S/C6H10O/c1-3-5-6-7-4-2/h1,3,5H,4,6H2,2H3/b5-3-",85.33445999999999,76.49943,
13328,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[O:3][C:4]([H:12])([H:13])[C:5]([H:14])=[C:6]([H:15])[C:7]1([H:16])[H:17],[C:1]1([H:8])([H:9])[C-:2]=[O+:3][C:4]([H:12])([H:13])[C:5]([H:14])=[C:6]([H:15])[C:7]1([H:16])[H:17].[H:10][H:11],"InChI=1S/C6H10O/c1-2-4-6-7-5-3-1/h1,3H,2,4-6H2","InChI=1S/C6H8O.H2/c1-2-4-6-7-5-3-1;/h1,3H,2,4-5H2;1H",76.07913,71.07522,
13329,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[O:3][C:4]([H:12])([H:13])[C:5]([H:14])=[C:6]([H:15])[C:7]1([H:16])[H:17],[C@:1]12([H:9])[C:2]([H:10])([H:11])[O:3][C:4]([H:12])([H:13])[C:5]([H:14])=[C:6]1[C:7]2([H:16])[H:17].[H:8][H:15],"InChI=1S/C6H10O/c1-2-4-6-7-5-3-1/h1,3H,2,4-6H2","InChI=1S/C6H8O.H2/c1-2-7-4-6-3-5(1)6;/h1,6H,2-4H2;1H/t6-;/m0./s1",98.81799000000001,54.1471,
13330,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[O:3][C:4]([H:12])([H:13])[C:5]([H:14])=[C:6]([H:15])[C:7]1([H:16])[H:17],[C:1]1([H:8])([H:9])[C:4]([H:12])([H:13])[C:5]([H:14])=[C:6]([H:15])[C:7]1([H:16])[H:17].[C:2](=[O:3])([H:10])[H:11],"InChI=1S/C6H10O/c1-2-4-6-7-5-3-1/h1,3H,2,4-6H2","InChI=1S/C5H8.CH2O/c1-2-4-5-3-1;1-2/h1-2H,3-5H2;1H2",71.02801,8.762780000000001,
13331,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[O:3][C:4]([H:12])([H:13])[C:5]([H:14])=[C:6]([H:15])[C:7]1([H:16])[H:17],[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[O+:3]=[C:4]([H:12])[C:5]([H:14])=[C-:6][C:7]1([H:16])[H:17].[H:13][H:15],"InChI=1S/C6H10O/c1-2-4-6-7-5-3-1/h1,3H,2,4-6H2","InChI=1S/C6H8O.H2/c1-2-4-6-7-5-3-1;/h4,6H,1,3,5H2;1H",102.72957,82.71321999999999,
13332,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[O:3][C:4]([H:12])([H:13])[C:5]([H:14])=[C:6]([H:15])[C:7]1([H:16])[H:17],[C:1]1([H:8])([H:9])[C:2]([H:11])=[O+:3][C-:4]([H:13])[C:5]([H:14])=[C:6]([H:15])[C:7]1([H:16])[H:17].[H:10][H:12],"InChI=1S/C6H10O/c1-2-4-6-7-5-3-1/h1,3H,2,4-6H2","InChI=1S/C6H8O.H2/c1-2-4-6-7-5-3-1;/h1,3,5-6H,2,4H2;1H",57.264959999999995,51.47697,
13333,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[O:3][C:4]([H:12])([H:13])[C:5]([H:14])=[C:6]([H:15])[C:7]1([H:16])[H:17],[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[O:3][C:5]([H:14])=[C:6]([H:15])[C:7]1([H:16])[H:17].[C:4]([H:12])[H:13],"InChI=1S/C6H10O/c1-2-4-6-7-5-3-1/h1,3H,2,4-6H2","InChI=1S/C5H8O.CH2/c1-2-4-6-5-3-1;/h2,4H,1,3,5H2;1H2",90.90904,108.51056000000001,
13334,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[O:3][C:4]([H:12])([H:13])[C:5]([H:14])=[C:6]([H:15])[C:7]1([H:16])[H:17],[C:1]([C:2]([O:3][C:4]([H:8])([H:12])[H:13])([H:10])[H:11])(=[C:7]([H:16])[H:17])[H:9].[C:5](#[C:6][H:15])[H:14],"InChI=1S/C6H10O/c1-2-4-6-7-5-3-1/h1,3H,2,4-6H2","InChI=1S/C4H8O.C2H2/c1-3-4-5-2;1-2/h3H,1,4H2,2H3;1-2H",104.11346,57.42819,
13335,[C:1]1([H:8])([H:9])[O:2][C@@:3]2([H:10])[C@@:4]3([H:11])[O:5][C@:6]1([H:12])[C@@:7]23[H:13],[C:1](=[O:2])([H:8])[H:9].[c:3]1([H:10])[c:4]([H:11])[o:5][c:6]([H:12])[c:7]1[H:13],"InChI=1S/C5H6O2/c1-2-3-4(6-1)5(3)7-2/h2-5H,1H2/t2-,3-,4+,5-/m0/s1",InChI=1S/C4H4O.CH2O/c1-2-4-5-3-1;1-2/h1-4H;1H2,21.38781,-34.04443,
13336,[C:1]1([H:8])([H:9])[O:2][C@@:3]2([H:10])[C@@:4]3([H:11])[O:5][C@:6]1([H:12])[C@@:7]23[H:13],[C:1]1([H:9])=[C:6]([H:12])[C:7]([H:8])([H:13])[C@@:3]([C:4](=[O:5])[H:11])([H:10])[O:2]1,"InChI=1S/C5H6O2/c1-2-3-4(6-1)5(3)7-2/h2-5H,1H2/t2-,3-,4+,5-/m0/s1","InChI=1S/C5H6O2/c6-4-5-2-1-3-7-5/h1,3-5H,2H2/t5-/m1/s1",72.25416,-40.53816,
13337,[C:1]1([H:8])([H:9])[O:2][C@@:3]2([H:10])[C@@:4]3([H:11])[O:5][C@:6]1([H:12])[C@@:7]23[H:13],[C:1]1([H:8])([H:9])[O:2][C@@:3]2([H:10])[C@@:4]([H:11])([O+:5]=[C-:6]1)[C:7]2([H:12])[H:13],"InChI=1S/C5H6O2/c1-2-3-4(6-1)5(3)7-2/h2-5H,1H2/t2-,3-,4+,5-/m0/s1","InChI=1S/C5H6O2/c1-2-7-5-3-4(5)6-1/h4-5H,1,3H2/t4-,5+/m1/s1",69.55074,32.72448,
13338,[C:1]1([H:8])([H:9])[O:2][C@@:3]2([H:10])[C@@:4]3([H:11])[O:5][C@:6]1([H:12])[C@@:7]23[H:13],[C:1]1([H:8])([H:9])[O+:2]=[C-:3][C@@:4]2([H:11])[O:5][C@:6]1([H:12])[C:7]2([H:10])[H:13],"InChI=1S/C5H6O2/c1-2-3-4(6-1)5(3)7-2/h2-5H,1H2/t2-,3-,4+,5-/m0/s1","InChI=1S/C5H6O2/c1-4-2-6-3-5(1)7-4/h4-5H,1-2H2/t4-,5+/m1/s1",54.18832,28.349859999999996,
13339,[C:1]1([H:8])([H:9])[O:2][C@@:3]2([H:10])[C@@:4]3([H:11])[O:5][C@:6]1([H:12])[C@@:7]23[H:13],[C:1]1([H:8])([H:9])[O:2][C@:3]2([H:10])[C@:4]([H:11])([O:5][C:6]1([H:12])[H:13])[C:7]2,"InChI=1S/C5H6O2/c1-2-3-4(6-1)5(3)7-2/h2-5H,1H2/t2-,3-,4+,5-/m0/s1","InChI=1S/C5H6O2/c1-2-7-5-3-4(5)6-1/h4-5H,1-2H2/t4-,5+",72.48472,69.41915,
13340,[C:1]1([H:8])([H:9])[O:2][C@@:3]2([H:10])[C@@:4]3([H:11])[O:5][C@:6]1([H:12])[C@@:7]23[H:13],[C@@:1]12([H:9])[O:2][C@@:3]3([H:10])[C@@:4]([H:11])([O:5]1)[C@@:7]3([H:13])[C:6]2([H:8])[H:12],"InChI=1S/C5H6O2/c1-2-3-4(6-1)5(3)7-2/h2-5H,1H2/t2-,3-,4+,5-/m0/s1","InChI=1S/C5H6O2/c1-2-4-5(2)7-3(1)6-4/h2-5H,1H2/t2-,3+,4+,5-",54.22096,-26.18244,
13341,[C:1]1([H:8])([H:9])[O:2][C@@:3]2([H:10])[C@@:4]3([H:11])[O:5][C@:6]1([H:12])[C@@:7]23[H:13],[C:1](=[O:2])([C:6]([C@@:7]1([H:13])[C@:3]2([H:10])[C@@:4]1([H:11])[O:5]2)([H:8])[H:12])[H:9],"InChI=1S/C5H6O2/c1-2-3-4(6-1)5(3)7-2/h2-5H,1H2/t2-,3-,4+,5-/m0/s1","InChI=1S/C5H6O2/c6-2-1-3-4-5(3)7-4/h2-5H,1H2/t3-,4+,5-",98.30315,9.54776,
13342,[C:1]1([H:8])([H:9])[O:2][C@@:3]2([H:10])[C@@:4]3([H:11])[O:5][C@:6]1([H:12])[C@@:7]23[H:13],[C-:1]1=[O+:2][C@@:3]2([H:10])[C@@:4]3([H:11])[O:5][C@:6]1([H:12])[C@@:7]23[H:13].[H:8][H:9],"InChI=1S/C5H6O2/c1-2-3-4(6-1)5(3)7-2/h2-5H,1H2/t2-,3-,4+,5-/m0/s1","InChI=1S/C5H4O2.H2/c1-2-3-4(6-1)5(3)7-2;/h2-5H;1H/t2-,3-,4+,5-;/m0./s1",73.19227,68.04606,
13343,[C:1]1([H:8])([H:9])[O:2][C@@:3]2([H:10])[C@@:4]3([H:11])[O:5][C@:6]1([H:12])[C@@:7]23[H:13],[C-:1]([O+:2]=[C:3]([C@@:7]1([H:13])[C@@:4]2([H:11])[O:5][C@:6]21[H:12])[H:10])([H:8])[H:9],"InChI=1S/C5H6O2/c1-2-3-4(6-1)5(3)7-2/h2-5H,1H2/t2-,3-,4+,5-/m0/s1","InChI=1S/C5H6O2/c1-6-2-3-4-5(3)7-4/h2-5H,1H2/t3-,4+,5-",78.22521,72.76706999999999,
13344,[C:1]1([H:8])([H:9])[O:2][C@@:3]2([H:10])[C@@:4]3([H:11])[O:5][C@:6]1([H:12])[C@@:7]23[H:13],[C:1]1([H:8])([H:9])[O:2][C@@:3]([C:7](=[C-:6][H:12])[H:13])([H:10])[C:4]([H:11])=[O+:5]1,"InChI=1S/C5H6O2/c1-2-3-4(6-1)5(3)7-2/h2-5H,1H2/t2-,3-,4+,5-/m0/s1","InChI=1S/C5H6O2/c1-2-5-3-6-4-7-5/h1-3,5H,4H2/t5-/m1/s1",90.02032,52.16726,
13345,[C:1]1([H:8])([H:9])[O:2][C@@:3]2([H:10])[C@@:4]3([H:11])[O:5][C@:6]1([H:12])[C@@:7]23[H:13],[C:1](=[C:6]([O:5]/[C:4](=[C:7](\[C:3](=[O:2])[H:10])[H:13])[H:11])[H:12])([H:8])[H:9],"InChI=1S/C5H6O2/c1-2-3-4(6-1)5(3)7-2/h2-5H,1H2/t2-,3-,4+,5-/m0/s1","InChI=1S/C5H6O2/c1-2-7-5-3-4-6/h2-5H,1H2/b5-3-",42.94773,-33.30284,
13346,[C:1]1([H:8])([H:9])[O:2][C@@:3]2([H:10])[C@@:4]3([H:11])[O:5][C@:6]1([H:12])[C@@:7]23[H:13],[C:1]([C@:6]1([H:12])[O:5][C@:4]2([H:11])[C@@:3]([O:2][H:9])([H:10])[C@@:7]21[H:13])[H:8],"InChI=1S/C5H6O2/c1-2-3-4(6-1)5(3)7-2/h2-5H,1H2/t2-,3-,4+,5-/m0/s1","InChI=1S/C5H6O2/c1-2-3-4(6)5(3)7-2/h1-6H/t2-,3-,4+,5-/m0/s1",72.52841,69.91953000000001,
13347,[C:1]1([H:8])([H:9])[O:2][C@@:3]2([H:10])[C@@:4]3([H:11])[O:5][C@:6]1([H:12])[C@@:7]23[H:13],[C:1]1([H:8])([H:9])[O:2][C:3]([H:10])([H:13])[C:7]2=[C:4]([H:11])[O:5][C@@:6]12[H:12],"InChI=1S/C5H6O2/c1-2-3-4(6-1)5(3)7-2/h2-5H,1H2/t2-,3-,4+,5-/m0/s1","InChI=1S/C5H6O2/c1-4-2-7-5(4)3-6-1/h2,5H,1,3H2/t5-/m0/s1",61.1348,1.14129,
13348,[C:1]1([H:8])([H:9])[O:2][C@@:3]2([H:10])[C@@:4]3([H:11])[O:5][C@:6]1([H:12])[C@@:7]23[H:13],[C:1]1([H:8])([H:9])[O:2][C:3]([H:10])=[C:7]2[C:4]([H:11])([H:13])[O:5][C@@:6]12[H:12],"InChI=1S/C5H6O2/c1-2-3-4(6-1)5(3)7-2/h2-5H,1H2/t2-,3-,4+,5-/m0/s1","InChI=1S/C5H6O2/c1-4-2-7-5(4)3-6-1/h1,5H,2-3H2/t5-/m0/s1",61.17961,-3.6898199999999997,
13349,[C:1]1([H:8])([H:9])[O:2][C@@:3]2([H:10])[C@@:4]3([H:11])[O:5][C@:6]1([H:12])[C@@:7]23[H:13],[C-:1]([O+:2]=[C:3]([C@@:4]1([H:11])[O:5][C:6]([H:12])=[C:7]1[H:13])[H:10])([H:8])[H:9],"InChI=1S/C5H6O2/c1-2-3-4(6-1)5(3)7-2/h2-5H,1H2/t2-,3-,4+,5-/m0/s1","InChI=1S/C5H6O2/c1-6-4-5-2-3-7-5/h2-5H,1H2/t5-/m0/s1",50.81645,40.7913,
13350,[C:1]1([H:8])([H:9])[O:2][C@@:3]2([H:10])[C@@:4]3([H:11])[O:5][C@:6]1([H:12])[C@@:7]23[H:13],[C:1]1([H:8])([H:9])[O:2][C@@:3]2([H:10])[C-:4]=[O+:5][C@:6]1([H:12])[C:7]2([H:11])[H:13],"InChI=1S/C5H6O2/c1-2-3-4(6-1)5(3)7-2/h2-5H,1H2/t2-,3-,4+,5-/m0/s1","InChI=1S/C5H6O2/c1-4-2-6-5(1)3-7-4/h4-5H,1-2H2/t4-,5-/m1/s1",53.96688,11.60548,
13351,[C:1]1([H:8])([H:9])[O:2][C@@:3]2([H:10])[C@@:4]3([H:11])[O:5][C@:6]1([H:12])[C@@:7]23[H:13],[C:1]1([H:8])([H:9])[O:2][C@@:3]2([H:10])[C:4]([H:11])([H:13])[O:5][C@:6]1([H:12])[C:7]2,"InChI=1S/C5H6O2/c1-2-3-4(6-1)5(3)7-2/h2-5H,1H2/t2-,3-,4+,5-/m0/s1","InChI=1S/C5H6O2/c1-4-2-6-5(1)3-7-4/h4-5H,2-3H2/t4-,5-/m1/s1",61.17899,51.8115,
13352,[C:1]1([H:8])([H:9])[O:2][C@@:3]2([H:10])[C@@:4]3([H:11])[O:5][C@:6]1([H:12])[C@@:7]23[H:13],[C:1]1([H:8])([H:9])[O:2][C:3]([H:10])=[C:7]([H:13])[C@:6]1([O+:5]=[C-:4][H:11])[H:12],"InChI=1S/C5H6O2/c1-2-3-4(6-1)5(3)7-2/h2-5H,1H2/t2-,3-,4+,5-/m0/s1","InChI=1S/C5H6O2/c1-6-5-2-3-7-4-5/h1-3,5H,4H2/t5-/m1/s1",39.01916,22.81615,
13353,[C:1]1([H:8])([H:9])[O:2][C@@:3]2([H:10])[C@@:4]3([H:11])[O:5][C@:6]1([H:12])[C@@:7]23[H:13],[C:1]1([H:8])([H:9])[O:2][C@:4]2([H:11])[C:3]([H:10])=[C:7]([H:13])[C@@:6]1([H:12])[O:5]2,"InChI=1S/C5H6O2/c1-2-3-4(6-1)5(3)7-2/h2-5H,1H2/t2-,3-,4+,5-/m0/s1","InChI=1S/C5H6O2/c1-2-5-6-3-4(1)7-5/h1-2,4-5H,3H2/t4-,5+/m1/s1",21.38508,-26.747429999999998,
13354,[C:1]1([H:8])([H:9])[O:2][C@@:3]2([H:10])[C@@:4]3([H:11])[O:5][C@:6]1([H:12])[C@@:7]23[H:13],[C:1]1([H:9])=[C:6]2[O:5][C@:4]3([H:11])[C@:3]([H:10])([O:2]1)[C@@:7]32[H:13].[H:8][H:12],"InChI=1S/C5H6O2/c1-2-3-4(6-1)5(3)7-2/h2-5H,1H2/t2-,3-,4+,5-/m0/s1","InChI=1S/C5H4O2.H2/c1-2-3-4(6-1)5(3)7-2;/h1,3-5H;1H/t3-,4+,5-;/m0./s1",86.10536,73.33948000000001,
13355,[C:1]1([H:8])([H:9])[O:2][C@@:3]2([H:10])[C@@:4]3([H:11])[O:5][C@:6]1([H:12])[C@@:7]23[H:13],[C-:1](=[O+:2][C@@:3]1([H:10])[C@@:4]2([H:11])[O:5][C:6]([H:8])([H:12])[C@@:7]12[H:13])[H:9],"InChI=1S/C5H6O2/c1-2-3-4(6-1)5(3)7-2/h2-5H,1H2/t2-,3-,4+,5-/m0/s1","InChI=1S/C5H6O2/c1-6-4-3-2-7-5(3)4/h1,3-5H,2H2/t3-,4+,5-/m0/s1",80.56564,63.36793,
13356,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]2([C:5]([H:12])([H:13])[N:6]2[H:14])[C:7]1([H:15])[H:16])[H:8],[O:1]([C:2]([C:7]([C@@:4]12[C-:3]([H:11])[N+:6]1([H:14])[C:5]2([H:12])[H:13])([H:15])[H:16])([H:9])[H:10])[H:8],"InChI=1S/C5H9NO/c7-4-1-5(2-4)3-6-5/h4,6-7H,1-3H2/t4-,5+","InChI=1S/C5H9NO/c7-2-1-5-3-6(5)4-5/h3,6-7H,1-2,4H2/t5-/m0/s1",74.70514,67.26309,
13357,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]2([C:5]([H:12])([H:13])[N:6]2[H:14])[C:7]1([H:15])[H:16])[H:8],[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]2([C-:5]([H:13])[N+:6]2([H:12])[H:14])[C:7]1([H:15])[H:16])[H:8],"InChI=1S/C5H9NO/c7-4-1-5(2-4)3-6-5/h4,6-7H,1-3H2/t4-,5+","InChI=1S/C5H9NO/c7-4-1-5(2-4)3-6-5/h3-4,7H,1-2,6H2/t4-,5+",60.8276,52.79595,
13358,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]2([C:5]([H:12])([H:13])[N:6]2[H:14])[C:7]1([H:15])[H:16])[H:8],[O:1]([C:2][C:7]([C@:4]1([C:3]([H:9])([H:10])[H:11])[C:5]([H:12])([H:13])[N:6]1[H:14])([H:15])[H:16])[H:8],"InChI=1S/C5H9NO/c7-4-1-5(2-4)3-6-5/h4,6-7H,1-3H2/t4-,5+","InChI=1S/C5H9NO/c1-5(2-3-7)4-6-5/h6-7H,2,4H2,1H3/t5-/m1/s1",54.99352,38.85191,
13359,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]2([C:5]([H:12])([H:13])[N:6]2[H:14])[C:7]1([H:15])[H:16])[H:8],[O:1]([C:2]1([H:9])[C:3]([H:10])([H:11])[C+:4]([N:6]([C-:5]([H:12])[H:13])[H:14])[C:7]1([H:15])[H:16])[H:8],"InChI=1S/C5H9NO/c7-4-1-5(2-4)3-6-5/h4,6-7H,1-3H2/t4-,5+","InChI=1S/C5H9NO/c1-6-4-2-5(7)3-4/h5-7H,1-3H2",39.348420000000004,19.95288,
13360,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]2([C:5]([H:12])([H:13])[N:6]2[H:14])[C:7]1([H:15])[H:16])[H:8],[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C:4]([C:5]([N:6]([H:14])[H:15])([H:12])[H:13])=[C:7]1[H:16])[H:8],"InChI=1S/C5H9NO/c7-4-1-5(2-4)3-6-5/h4,6-7H,1-3H2/t4-,5+","InChI=1S/C5H9NO/c6-3-4-1-5(7)2-4/h1,5,7H,2-3,6H2/t5-/m1/s1",60.691669999999995,-10.72935,
13361,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]2([C:5]([H:12])([H:13])[N:6]2[H:14])[C:7]1([H:15])[H:16])[H:8],[O:1]([C@:2]1([H:9])[C:3]([H:10])([H:11])[C@@:4]([N:6]([C:5][H:12])[H:14])([H:13])[C:7]1([H:15])[H:16])[H:8],"InChI=1S/C5H9NO/c7-4-1-5(2-4)3-6-5/h4,6-7H,1-3H2/t4-,5+","InChI=1S/C5H9NO/c1-6-4-2-5(7)3-4/h1,4-7H,2-3H2/t4-,5+",66.98544,31.531309999999998,
13362,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]2([C:5]([H:12])([H:13])[N:6]2[H:14])[C:7]1([H:15])[H:16])[H:8],[O:1]([C-:2]([C:7]([C@:4]1([C:3]([H:10])([H:11])[H:12])[C+:5]([H:13])[N:6]1[H:14])([H:15])[H:16])[H:9])[H:8],"InChI=1S/C5H9NO/c7-4-1-5(2-4)3-6-5/h4,6-7H,1-3H2/t4-,5+","InChI=1S/C5H9NO/c1-5(2-3-7)4-6-5/h3-4,6-7H,2H2,1H3/t5-/m1/s1",94.0045,65.65637,
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13364,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]2([C:5]([H:12])([H:13])[N:6]2[H:14])[C:7]1([H:15])[H:16])[H:8],[C:2]1([H:9])=[C:7]([H:15])[C@:4]2([C:3]1([H:10])[H:11])[C:5]([H:12])([H:13])[N:6]2[H:14].[O:1]([H:8])[H:16],"InChI=1S/C5H9NO/c7-4-1-5(2-4)3-6-5/h4,6-7H,1-3H2/t4-,5+","InChI=1S/C5H7N.H2O/c1-2-5(3-1)4-6-5;/h1-2,6H,3-4H2;1H2/t5-;/m0./s1",60.6255,16.35129,"1,3_Insertion_ROR"
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13366,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]2([C:5]([H:12])([H:13])[N:6]2[H:14])[C:7]1([H:15])[H:16])[H:8],[O:1]([C:2]([C:3]([C@@:4]1([C:7][H:16])[C:5]([H:12])([H:13])[N:6]1[H:14])([H:10])[H:11])([H:9])[H:15])[H:8],"InChI=1S/C5H9NO/c7-4-1-5(2-4)3-6-5/h4,6-7H,1-3H2/t4-,5+","InChI=1S/C5H9NO/c1-5(2-3-7)4-6-5/h1,6-7H,2-4H2/t5-/m0/s1",81.48541999999999,60.95819,
13367,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]2([C:5]([H:12])([H:13])[N:6]2[H:14])[C:7]1([H:15])[H:16])[H:8],[H:8][H:16].[O:1]=[C:2]([C@@:7]1([H:15])[C:3]([H:10])([H:11])[C@:4]12[C:5]([H:12])([H:13])[N:6]2[H:14])[H:9],"InChI=1S/C5H9NO/c7-4-1-5(2-4)3-6-5/h4,6-7H,1-3H2/t4-,5+","InChI=1S/C5H7NO.H2/c7-2-4-1-5(4)3-6-5;/h2,4,6H,1,3H2;1H/t4-,5+;/m1./s1",78.33079000000001,24.781129999999997,
13368,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]2([C:5]([H:12])([H:13])[N:6]2[H:14])[C:7]1([H:15])[H:16])[H:8],[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C:4]([N:6]([C:5]([H:12])([H:13])[H:15])[H:14])=[C:7]1[H:16])[H:8],"InChI=1S/C5H9NO/c7-4-1-5(2-4)3-6-5/h4,6-7H,1-3H2/t4-,5+","InChI=1S/C5H9NO/c1-6-4-2-5(7)3-4/h2,5-7H,3H2,1H3/t5-/m1/s1",84.62342,-12.5546,
13369,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]2([C:5]([H:12])([H:13])[N:6]2[H:14])[C:7]1([H:15])[H:16])[H:8],[O:1]([C@@:2]([C:3]([H:10])([H:11])[H:12])([C:7]([C:4]1=[C:5]([H:13])[N:6]1[H:14])([H:15])[H:16])[H:9])[H:8],"InChI=1S/C5H9NO/c7-4-1-5(2-4)3-6-5/h4,6-7H,1-3H2/t4-,5+","InChI=1S/C5H9NO/c1-4(7)2-5-3-6-5/h3-4,6-7H,2H2,1H3/t4-/m0/s1",105.49076000000001,23.962320000000002,
13370,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]2([C:5]([H:12])([H:13])[N:6]2[H:14])[C:7]1([H:15])[H:16])[H:8],[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C:5]([H:12])([H:13])/[C:4](=[N:6]/[H:14])[C:7]1([H:15])[H:16])[H:8],"InChI=1S/C5H9NO/c7-4-1-5(2-4)3-6-5/h4,6-7H,1-3H2/t4-,5+","InChI=1S/C5H9NO/c6-4-1-2-5(7)3-4/h5-7H,1-3H2/b6-4-/t5-/m0/s1",57.27434,-41.07131,
13371,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]2([C:5]([H:12])([H:13])[N:6]2[H:14])[C:7]1([H:15])[H:16])[H:8],[C:5](=[N:6][H:14])([H:12])[H:13].[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C:4]([H:15])=[C:7]1[H:16])[H:8],"InChI=1S/C5H9NO/c7-4-1-5(2-4)3-6-5/h4,6-7H,1-3H2/t4-,5+","InChI=1S/C4H6O.CH3N/c5-4-2-1-3-4;1-2/h1-2,4-5H,3H2;2H,1H2/t4-;/m1./s1",78.93241,11.49897,
13372,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]2([C:5]([H:12])([H:13])[N:6]2[H:14])[C:7]1([H:15])[H:16])[H:8],[O:1]=[C:2]([C:3]([C:4]([C:5]([N:6]([H:8])[H:14])([H:12])[H:13])=[C:7]([H:15])[H:16])([H:10])[H:11])[H:9],"InChI=1S/C5H9NO/c7-4-1-5(2-4)3-6-5/h4,6-7H,1-3H2/t4-,5+","InChI=1S/C5H9NO/c1-5(4-6)2-3-7/h3H,1-2,4,6H2",33.52026,-27.689259999999997,
13373,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]2([C:5]([H:12])([H:13])[N:6]2[H:14])[C:7]1([H:15])[H:16])[H:8],[C:3]1([H:10])([H:11])[C:4]2([C:5]([H:12])([H:13])[N:6]2[H:14])[C:7]1([H:15])[H:16].[O:1]([C:2][H:9])[H:8],"InChI=1S/C5H9NO/c7-4-1-5(2-4)3-6-5/h4,6-7H,1-3H2/t4-,5+","InChI=1S/C4H7N.CH2O/c1-2-4(1)3-5-4;1-2/h5H,1-3H2;1-2H",95.55075,82.8797,
13374,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]2([C:5]([H:12])([H:13])[N:6]2[H:14])[C:7]1([H:15])[H:16])[H:8],[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C-:4]2[C:5]([H:12])([H:13])[N+:6]2([H:14])[C:7]1([H:15])[H:16])[H:8],"InChI=1S/C5H9NO/c7-4-1-5(2-4)3-6-5/h4,6-7H,1-3H2/t4-,5+","InChI=1S/C5H9NO/c7-5-1-4-2-6(4)3-5/h5-7H,1-3H2/t5-/m0/s1",79.53302,37.18723,
13375,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:4]2([C:5]([H:14])([H:15])[O:6]2)[C:7]1([H:16])[H:17])([H:8])([H:9])[H:10],[C:1]([C:2]1([H:11])[C:3]([H:12])([H:13])[C:4](=[O+:6][C-:5]([H:14])[H:15])[C:7]1([H:16])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-5-2-6(3-5)4-7-6/h5H,2-4H2,1H3/t5-,6+","InChI=1S/C6H10O/c1-5-3-6(4-5)7-2/h5H,2-4H2,1H3",54.44944,40.93777,
13376,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:4]2([C:5]([H:14])([H:15])[O:6]2)[C:7]1([H:16])[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:4]2([C-:5]=[O+:6]2)[C:7]1([H:16])[H:17])([H:8])([H:9])[H:10].[H:14][H:15],"InChI=1S/C6H10O/c1-5-2-6(3-5)4-7-6/h5H,2-4H2,1H3/t5-,6+","InChI=1S/C6H8O.H2/c1-5-2-6(3-5)4-7-6;/h5H,2-3H2,1H3;1H/t5-,6+;",81.34465,64.01833,
13377,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:4]2([C:5]([H:14])([H:15])[O:6]2)[C:7]1([H:16])[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:5]([H:14])([H:15])[O+:6]=[C-:4][C:7]1([H:16])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-5-2-6(3-5)4-7-6/h5H,2-4H2,1H3/t5-,6+","InChI=1S/C6H10O/c1-6-2-4-7-5-3-6/h6H,2-4H2,1H3/t6-/m0/s1",85.74698000000001,20.722189999999998,
13378,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:4]2([C:5]([H:14])([H:15])[O:6]2)[C:7]1([H:16])[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@@:4]([C:5][H:15])([O:6][H:14])[C:7]1([H:16])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-5-2-6(3-5)4-7-6/h5H,2-4H2,1H3/t5-,6+","InChI=1S/C6H10O/c1-5-3-6(2,7)4-5/h2,5,7H,3-4H2,1H3/t5-,6+",68.86431999999999,67.06351,
13379,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:4]2([C:5]([H:14])([H:15])[O:6]2)[C:7]1([H:16])[H:17])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]([H:12])[H:13])[C:7]([C:4]([C:5]([H:11])([H:14])[H:15])=[O:6])([H:16])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-5-2-6(3-5)4-7-6/h5H,2-4H2,1H3/t5-,6+","InChI=1S/C6H10O/c1-5(2)4-6(3)7/h1,4H2,2-3H3",62.460919999999994,-31.98173,
13380,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:4]2([C:5]([H:14])([H:15])[O:6]2)[C:7]1([H:16])[H:17])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([C:4](=[C+:5][H:15])[O-:6])([H:12])[H:13])([C:7]([H:14])([H:16])[H:17])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-5-2-6(3-5)4-7-6/h5H,2-4H2,1H3/t5-,6+","InChI=1S/C6H10O/c1-5(2)4-6(3)7/h3,5H,4H2,1-2H3",92.0083,37.792359999999995,
13381,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:4]2([C:5]([H:14])([H:15])[O:6]2)[C:7]1([H:16])[H:17])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]([H:12])[H:13])[H:11])([H:8])([H:9])[H:10].[C:4]1(=[C:7]([H:16])[H:17])[C:5]([H:14])([H:15])[O:6]1,"InChI=1S/C6H10O/c1-5-2-6(3-5)4-7-6/h5H,2-4H2,1H3/t5-,6+","InChI=1S/C3H4O.C3H6/c1-3-2-4-3;1-3-2/h1-2H2;3H,1H2,2H3",82.42730999999999,23.16338,
13382,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:4]2([C:5]([H:14])([H:15])[O:6]2)[C:7]1([H:16])[H:17])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:11].[C:2]1[C:3]([H:12])([H:13])[C:4]2([C:5]([H:14])([H:15])[O:6]2)[C:7]1([H:16])[H:17],"InChI=1S/C6H10O/c1-5-2-6(3-5)4-7-6/h5H,2-4H2,1H3/t5-,6+",InChI=1S/C5H6O.CH4/c1-2-5(3-1)4-6-5;/h2-4H2;1H4,88.89324,94.16242,
13383,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:4]2([C:5]([H:14])([H:15])[O:6]2)[C:7]1([H:16])[H:17])([H:8])([H:9])[H:10],[C:1]([C:2]12[C:3]([H:12])([H:13])[C:4]1([H:11])[C:7]2([H:16])[H:17])([H:8])([H:9])[H:10].[C:5](=[O:6])([H:14])[H:15],"InChI=1S/C6H10O/c1-5-2-6(3-5)4-7-6/h5H,2-4H2,1H3/t5-,6+","InChI=1S/C5H8.CH2O/c1-5-2-4(5)3-5;1-2/h4H,2-3H2,1H3;1H2",78.4247,25.41341,
13384,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:4]2([C:5]([H:14])([H:15])[O:6]2)[C:7]1([H:16])[H:17])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([C@@:4]1([C:7][H:16])[C:5]([H:14])([H:15])[O:6]1)([H:12])[H:13])([H:11])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-5-2-6(3-5)4-7-6/h5H,2-4H2,1H3/t5-,6+","InChI=1S/C6H10O/c1-3-4-6(2)5-7-6/h2H,3-5H2,1H3/t6-/m0/s1",74.63490999999999,70.88414,
13385,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:4]2([C:5]([H:14])([H:15])[O:6]2)[C:7]1([H:16])[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:4]([O+:6]=[C-:5][H:14])([H:15])[C:7]1([H:16])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-5-2-6(3-5)4-7-6/h5H,2-4H2,1H3/t5-,6+","InChI=1S/C6H10O/c1-5-3-6(4-5)7-2/h2,5-6H,3-4H2,1H3/t5-,6+",75.43193000000001,47.42822,
13386,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:4]2([C:5]([H:14])([H:15])[O:6]2)[C:7]1([H:16])[H:17])([H:8])([H:9])[H:10],[C:1]([C:2]1([H:11])[C:3]([H:12])([H:13])[C:4](=[C:5]([H:14])[H:15])[C:7]1([H:16])[H:17])([O:6][H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-5-2-6(3-5)4-7-6/h5H,2-4H2,1H3/t5-,6+","InChI=1S/C6H10O/c1-5-2-6(3-5)4-7/h6-7H,1-4H2",81.07026,-7.3167,
13387,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:4]2([C:5]([H:14])([H:15])[O:6]2)[C:7]1([H:16])[H:17])([H:8])([H:9])[H:10],[C:1]([C:2][C:7]([C@:4]1([C:3]([H:11])([H:12])[H:13])[C:5]([H:14])([H:15])[O:6]1)([H:16])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-5-2-6(3-5)4-7-6/h5H,2-4H2,1H3/t5-,6+","InChI=1S/C6H10O/c1-3-4-6(2)5-7-6/h4-5H2,1-2H3/t6-/m1/s1",71.709,70.11016,
13388,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:4]2([C:5]([H:14])([H:15])[O:6]2)[C:7]1([H:16])[H:17])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]([H:12])[H:13])[C:7]([C@:4]1([H:11])[C:5]([H:14])([H:15])[O:6]1)([H:16])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-5-2-6(3-5)4-7-6/h5H,2-4H2,1H3/t5-,6+","InChI=1S/C6H10O/c1-5(2)3-6-4-7-6/h6H,1,3-4H2,2H3/t6-/m1/s1",96.94881,-3.6974699999999996,
13389,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:4]2([C:5]([H:14])([H:15])[O:6]2)[C:7]1([H:16])[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([O:6][C:5]([H:14])([H:15])[H:17])=[C:7]1[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-5-2-6(3-5)4-7-6/h5H,2-4H2,1H3/t5-,6+","InChI=1S/C6H10O/c1-5-3-6(4-5)7-2/h3,5H,4H2,1-2H3/t5-/m1/s1",90.1609,-1.55399,
13390,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:4]2([C:5]([H:14])([H:15])[O:6]2)[C:7]1([H:16])[H:17])([H:8])([H:9])[H:10],[C:1]([C-:2]1[C:3]([H:12])([H:13])[C:4]2([C:5]([H:15])=[O+:6]2)[C:7]1([H:16])[H:17])([H:8])([H:9])[H:10].[H:11][H:14],"InChI=1S/C6H10O/c1-5-2-6(3-5)4-7-6/h5H,2-4H2,1H3/t5-,6+","InChI=1S/C6H8O.H2/c1-5-2-6(3-5)4-7-6;/h4H,2-3H2,1H3;1H",111.16826,20.61085,
13391,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:4]2([C:5]([H:14])([H:15])[O:6]2)[C:7]1([H:16])[H:17])([H:8])([H:9])[H:10],[C:1]1([H:8])([H:9])[C@@:2]2([H:11])[C:3]([H:12])([H:13])[C@:4]3([C:5]([H:14])([H:15])[O:6]3)[C@@:7]12[H:16].[H:10][H:17],"InChI=1S/C6H10O/c1-5-2-6(3-5)4-7-6/h5H,2-4H2,1H3/t5-,6+","InChI=1S/C6H8O.H2/c1-4-2-6(3-7-6)5(1)4;/h4-5H,1-3H2;1H/t4-,5-,6-;/m0./s1",100.55095,39.68942,
13392,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:4]2([C:5]([H:14])([H:15])[O:6]2)[C:7]1([H:16])[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:13])=[C:4]([H:12])[C:7]1([H:16])[H:17])([H:8])([H:9])[H:10].[C:5](=[O:6])([H:14])[H:15],"InChI=1S/C6H10O/c1-5-2-6(3-5)4-7-6/h5H,2-4H2,1H3/t5-,6+","InChI=1S/C5H8.CH2O/c1-5-3-2-4-5;1-2/h2-3,5H,4H2,1H3;1H2/t5-;/m0./s1",70.46924,13.316729999999998,
13393,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:4]2([C:5]([H:14])([H:15])[O:6]2)[C:7]1([H:16])[H:17])([H:8])([H:9])[H:10],[C:1]([C:2]12[C:3]([H:12])([H:13])[C:4]1([O:6][C:5]([H:11])([H:14])[H:15])[C:7]2([H:16])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-5-2-6(3-5)4-7-6/h5H,2-4H2,1H3/t5-,6+","InChI=1S/C6H10O/c1-5-3-6(5,4-5)7-2/h3-4H2,1-2H3",89.8926,19.79597,
13394,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:4]2([C:5]([H:14])([H:15])[O:6]2)[C:7]1([H:16])[H:17])([H:8])([H:9])[H:10],[C:1]([C:2](/[C:3](=[C:4]1/[C:5]([H:14])([H:15])[O:6]1)[H:12])([C:7]([H:13])([H:16])[H:17])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-5-2-6(3-5)4-7-6/h5H,2-4H2,1H3/t5-,6+","InChI=1S/C6H10O/c1-5(2)3-6-4-7-6/h3,5H,4H2,1-2H3/b6-3-",113.72481,1.6621099999999998,
13395,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:4]2([C:5]([H:14])([H:15])[O:6]2)[C:7]1([H:16])[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[O:6][C:4](=[C:5]([H:14])[H:15])[C:7]1([H:16])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-5-2-6(3-5)4-7-6/h5H,2-4H2,1H3/t5-,6+","InChI=1S/C6H10O/c1-5-3-6(2)7-4-5/h5H,2-4H2,1H3/t5-/m1/s1",89.10104,-27.83447,
13396,[C:1]([C@@:2]([O:3][C:4](=[O:5])[H:12])([C:6]#[C:7][H:13])[H:11])([H:8])([H:9])[H:10],[C:1]([C-:2]([O+:3]=[C:4]([O:5][C:6]#[C:7][H:13])[H:12])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H6O2/c1-3-5(2)7-4-6/h1,4-5H,2H3/t5-/m1/s1","InChI=1S/C5H6O2/c1-3-6-5-7-4-2/h1,4-5H,2H3",92.49781,86.40167,
13397,[C:1]([C@@:2]([O:3][C:4](=[O:5])[H:12])([C:6]#[C:7][H:13])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([O:3][C:4](=[O:5])[H:12])=[C:6]=[C:7]([H:11])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H6O2/c1-3-5(2)7-4-6/h1,4-5H,2H3/t5-/m1/s1","InChI=1S/C5H6O2/c1-3-5(2)7-4-6/h4H,1H2,2H3",56.38191,-6.1995,
13398,[C:1]([C@@:2]([O:3][C:4](=[O:5])[H:12])([C:6]#[C:7][H:13])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:6]=[C:7]([O:5][C:4](=[O:3])[H:12])[H:13])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H6O2/c1-3-5(2)7-4-6/h1,4-5H,2H3/t5-/m1/s1","InChI=1S/C5H6O2/c1-2-3-4-7-5-6/h2,4-5H,1H3",30.961879999999997,-4.78112,
13399,[C:1]([C@@:2]([O:3][C:4](=[O:5])[H:12])([C:6]#[C:7][H:13])[H:11])([H:8])([H:9])[H:10],[C:1]1([H:8])([H:10])[C@:2]([O:3][C:4](=[O:5])[H:12])([H:11])[C:6][C:7]1([H:9])[H:13],"InChI=1S/C5H6O2/c1-3-5(2)7-4-6/h1,4-5H,2H3/t5-/m1/s1","InChI=1S/C5H6O2/c6-4-7-5-2-1-3-5/h4-5H,1-2H2/t5-/m1/s1",93.6563,59.40256,
13400,[C:1]([C@@:2]([O:3][C:4](=[O:5])[H:12])([C:6]#[C:7][H:13])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[O:3]/[C:6]1=[C:7](\[C:4](=[O:5])[H:12])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H6O2/c1-3-5(2)7-4-6/h1,4-5H,2H3/t5-/m1/s1","InChI=1S/C5H6O2/c1-4-5(7-4)2-3-6/h2-4H,1H3/b5-2-/t4-/m1/s1",58.775459999999995,0.24961,
13401,[C:1]([C@@:2]([O:3][C:4](=[O:5])[H:12])([C:6]#[C:7][H:13])[H:11])([H:8])([H:9])[H:10],[C-:4]#[O+:5].[C:1]([C:2](=[O:3])[H:11])([H:8])([H:9])[H:10].[C:6](#[C:7][H:13])[H:12],"InChI=1S/C5H6O2/c1-3-5(2)7-4-6/h1,4-5H,2H3/t5-/m1/s1","InChI=1S/C2H4O.C2H2.CO/c1-2-3;2*1-2/h2H,1H3;1-2H;",56.574169999999995,23.47871,
13402,[C:1]([C@@:2]([O:3][C:4](=[O:5])[H:12])([C:6]#[C:7][H:13])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2](=[O:3])[C:6]#[C:7][H:13])([H:8])([H:9])[H:10].[C:4](=[O:5])([H:11])[H:12],"InChI=1S/C5H6O2/c1-3-5(2)7-4-6/h1,4-5H,2H3/t5-/m1/s1","InChI=1S/C4H4O.CH2O/c1-3-4(2)5;1-2/h1H,2H3;1H2",61.53196,24.240070000000003,
13403,[C:1]([C@@:2]([O:3][C:4](=[O:5])[H:12])([C:6]#[C:7][H:13])[H:11])([H:8])([H:9])[H:10],[C:1](/[C:2]([O:3][C:4](=[O:5])[H:12])=[C:6](\[C:7][H:13])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H6O2/c1-3-5(2)7-4-6/h1,4-5H,2H3/t5-/m1/s1","InChI=1S/C5H6O2/c1-3-5(2)7-4-6/h1,3-4H,2H3/b5-3+",62.96983,49.160470000000004,
13404,[C:1]([C@@:2]([O:3][C:4](=[O:5])[H:12])([C:6]#[C:7][H:13])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2](=[O:3])[H:11])([C:6]#[C:7][H:13])([H:8])[H:10].[C:4](=[O:5])([H:9])[H:12],"InChI=1S/C5H6O2/c1-3-5(2)7-4-6/h1,4-5H,2H3/t5-/m1/s1","InChI=1S/C4H4O.CH2O/c1-2-3-4-5;1-2/h1,4H,3H2;1H2",96.71845,30.1924,
13405,[C:1]([C@@:2]([O:3][C:4](=[O:5])[H:12])([C:6]#[C:7][H:13])[H:11])([H:8])([H:9])[H:10],[C:1]1([H:8])([H:10])[C@@:2]([C:6]#[C:7][H:13])([H:11])[O:3]1.[C:4](=[O:5])([H:9])[H:12],"InChI=1S/C5H6O2/c1-3-5(2)7-4-6/h1,4-5H,2H3/t5-/m1/s1","InChI=1S/C4H4O.CH2O/c1-2-4-3-5-4;1-2/h1,4H,3H2;1H2/t4-;/m0./s1",98.42766999999999,53.5839,
13406,[C:1]([C@@:2]([O:3][C:4](=[O:5])[H:12])([C:6]#[C:7][H:13])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:6]([O:5][C:4](=[O:3])[H:12])=[C:7]1[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H6O2/c1-3-5(2)7-4-6/h1,4-5H,2H3/t5-/m1/s1","InChI=1S/C5H6O2/c1-4-2-5(4)7-3-6/h2-4H,1H3/t4-/m1/s1",48.144079999999995,16.17016,
13407,[C:1]([C@@:2]([O:3][C:4](=[O:5])[H:12])([C:6]#[C:7][H:13])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:6]=[C:7]([H:12])[H:13])[H:11])([H:8])([H:9])[H:10].[O:3]=[C:4]=[O:5],"InChI=1S/C5H6O2/c1-3-5(2)7-4-6/h1,4-5H,2H3/t5-/m1/s1","InChI=1S/C4H6.CO2/c1-3-4-2;2-1-3/h4H,1H2,2H3;",31.58158,-28.3403,Retroene
13408,[C:1]([C@@:2]([O:3][C:4](=[O:5])[H:12])([C:6]#[C:7][H:13])[H:11])([H:8])([H:9])[H:10],[C:1](=[C:2]([C:6]#[C:7][H:13])[H:11])([H:8])[H:10].[O:3]=[C:4]([O:5][H:9])[H:12],"InChI=1S/C5H6O2/c1-3-5(2)7-4-6/h1,4-5H,2H3/t5-/m1/s1","InChI=1S/C4H4.CH2O2/c1-3-4-2;2-1-3/h1,4H,2H2;1H,(H,2,3)",48.39565,7.45662,Retroene
13409,[C:1]([C@@:2]([O:3][C:4](=[O:5])[H:12])([C:6]#[C:7][H:13])[H:11])([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:6](/[O:5][C:4](=[O:3])[H:12])[C:7][H:13])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H6O2/c1-3-5(2)7-4-6/h1,4-5H,2H3/t5-/m1/s1","InChI=1S/C5H6O2/c1-3-5(2)7-4-6/h2-4H,1H3/b5-3+",48.14672,51.70923,
13410,[C:1]([C@@:2]([O:3][C:4](=[O:5])[H:12])([C:6]#[C:7][H:13])[H:11])([H:8])([H:9])[H:10],[C:1]1([H:8])([H:10])[C@:2]([O:3][C:4](=[O:5])[H:12])([H:11])[C@:6]1([C:7][H:13])[H:9],"InChI=1S/C5H6O2/c1-3-5(2)7-4-6/h1,4-5H,2H3/t5-/m1/s1","InChI=1S/C5H6O2/c1-4-2-5(4)7-3-6/h1,3-5H,2H2/t4-,5+/m0/s1",88.37609,69.17625,
13411,[C:1]([C@@:2]([O:3][C:4](=[O:5])[H:12])([C:6]#[C:7][H:13])[H:11])([H:8])([H:9])[H:10],[C-:4]#[O+:5].[C:1]([C@@:2]([O:3][H:12])([C:6]#[C:7][H:13])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H6O2/c1-3-5(2)7-4-6/h1,4-5H,2H3/t5-/m1/s1","InChI=1S/C4H6O.CO/c1-3-4(2)5;1-2/h1,4-5H,2H3;/t4-;/m1./s1",63.112919999999995,12.1024,"1,2_Insertion_CO"
13412,[C:1]([C@@:2]([O:3][C:4](=[O:5])[H:12])([C:6]#[C:7][H:13])[H:11])([H:8])([H:9])[H:10],[C:1]([O:5][C:4](=[O+:3][C-:2]([C:6]#[C:7][H:13])[H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H6O2/c1-3-5(2)7-4-6/h1,4-5H,2H3/t5-/m1/s1","InChI=1S/C5H6O2/c1-3-4-7-5-6-2/h1,4-5H,2H3",80.35578000000001,69.44275,
13413,[C:1]([C@@:2]([O:3][C:4](=[O:5])[H:12])([C:6]#[C:7][H:13])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]1([H:11])[C:6]([H:12])=[C:7]1[H:13])([H:8])([H:9])[H:10].[O:3]=[C:4]=[O:5],"InChI=1S/C5H6O2/c1-3-5(2)7-4-6/h1,4-5H,2H3/t5-/m1/s1","InChI=1S/C4H6.CO2/c1-4-2-3-4;2-1-3/h2-4H,1H3;",53.03997,-5.45857,
13414,[C:1]([C@@:2]([O:3][C:4](=[O:5])[H:12])([C:6]#[C:7][H:13])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:6]=[C:7]([C:4]1([H:12])[O:3][O:5]1)[H:13])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H6O2/c1-3-5(2)7-4-6/h1,4-5H,2H3/t5-/m1/s1","InChI=1S/C5H6O2/c1-2-3-4-5-6-7-5/h2,4-5H,1H3",91.59241,71.95891,
13415,[C:1]([C@@:2]([O:3][C:4](=[O:5])[H:12])([C:6]#[C:7][H:13])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]([O:3][C:4](=[O:5])[H:12])([C:7](=[C:6])[H:13])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H6O2/c1-3-5(2)7-4-6/h1,4-5H,2H3/t5-/m1/s1","InChI=1S/C5H6O2/c1-3-5(2)7-4-6/h3-5H,2H3/t5-/m1/s1",56.30458,51.773740000000004,Singlet_Carbene_Intra_Disproportionation
13416,[C:1]([C@@:2]([O:3][C:4](=[O:5])[H:12])([C:6]#[C:7][H:13])[H:11])([H:8])([H:9])[H:10],[C:1]([H:8])[H:10].[C:2]([O:3][C:4](=[O:5])[H:12])([C:6]#[C:7][H:13])([H:9])[H:11],"InChI=1S/C5H6O2/c1-3-5(2)7-4-6/h1,4-5H,2H3/t5-/m1/s1","InChI=1S/C4H4O2.CH2/c1-2-3-6-4-5;/h1,4H,3H2;1H2",108.50436,121.23916000000001,"1,2_Insertion_carbene"
13417,[C:1]([C@@:2]([O:3][C:4](=[O:5])[H:12])([C:6]#[C:7][H:13])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])=[C:7]([H:13])[C:6]1=[O:5])([H:8])([H:9])[H:10],"InChI=1S/C5H6O2/c1-3-5(2)7-4-6/h1,4-5H,2H3/t5-/m1/s1","InChI=1S/C5H6O2/c1-4-5(6)2-3-7-4/h2-4H,1H3/t4-/m1/s1",104.17356,-32.10779,
13418,[C:1]([C@@:2]([O:3][C:4](=[O:5])[H:12])([C:6]#[C:7][H:13])[H:11])([H:8])([H:9])[H:10],[C:1]1([H:8])([H:10])[C@:2]([O:3][C:4](=[O:5])[H:12])([H:11])[C:6]1=[C:7]([H:9])[H:13],"InChI=1S/C5H6O2/c1-3-5(2)7-4-6/h1,4-5H,2H3/t5-/m1/s1","InChI=1S/C5H6O2/c1-4-2-5(4)7-3-6/h3,5H,1-2H2/t5-/m1/s1",95.13025999999999,2.47715,
13419,[C:1]([C@@:2]([O:3][C:4](=[O:5])[H:12])([C:6]#[C:7][H:13])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]([O+:3]=[C-:4][O:5][H:12])([C:6]#[C:7][H:13])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H6O2/c1-3-5(2)7-4-6/h1,4-5H,2H3/t5-/m1/s1","InChI=1S/C5H6O2/c1-3-5(2)7-4-6/h1,5-6H,2H3/t5-/m1/s1",74.98904,44.09962,
13420,[C:1]([C@@:2]([O:3][C:4](=[O:5])[H:12])([C:6]#[C:7][H:13])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[O:3][C-:4]=[O+:5][C:6]1=[C:7]([H:12])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H6O2/c1-3-5(2)7-4-6/h1,4-5H,2H3/t5-/m1/s1","InChI=1S/C5H6O2/c1-4-5(2)7-3-6-4/h5H,1H2,2H3/t5-/m1/s1",85.03179,11.51631,
13421,[N:1](=[c:2]1\[n:3][n:4][o:5][n:6][c:7]1[H:9])\[H:8],[N:1](=[C:2]1[N:3]=[N+:4]([O-:5])[N:6]=[C:7]1[H:9])[H:8],"InChI=1S/C2H2N4O/c3-2-1-4-7-6-5-2/h1,3H/b3-2-","InChI=1S/C2H2N4O/c3-2-1-4-6(7)5-2/h1,3H",49.368809999999996,-10.79637,
13422,[N:1](=[c:2]1\[n:3][n:4][o:5][n:6][c:7]1[H:9])\[H:8],[N-:1]([C:2]([N+:4]#[N:3])=[C:7]([N:6]=[O:5])[H:9])[H:8],"InChI=1S/C2H2N4O/c3-2-1-4-7-6-5-2/h1,3H/b3-2-","InChI=1S/C2H2N4O/c3-2(6-4)1-5-7/h1,3H",1.5676700000000001,-8.291889999999999,
13423,[N:1](=[c:2]1\[n:3][n:4][o:5][n:6][c:7]1[H:9])\[H:8],[N:1]#[C:2][C:7]([N:6]=[O:5])([H:8])[H:9].[N:3]#[N:4],"InChI=1S/C2H2N4O/c3-2-1-4-7-6-5-2/h1,3H/b3-2-",InChI=1S/C2H2N2O.N2/c3-1-2-4-5;1-2/h2H2;,12.957310000000001,-40.2958,
13424,[N:1](=[c:2]1\[n:3][n:4][o:5][n:6][c:7]1[H:9])\[H:8],[N:1](=[C:2]=[C:7]([N:6]=[O:5])[H:9])[H:8].[N:3]#[N:4],"InChI=1S/C2H2N4O/c3-2-1-4-7-6-5-2/h1,3H/b3-2-",InChI=1S/C2H2N2O.N2/c3-1-2-4-5;1-2/h2-3H;,1.5411700000000002,-32.42625,
13425,[N:1](=[c:2]1\[n:3][n:4][o:5][n:6][c:7]1[H:9])\[H:8],[N-:3]=[N+:4]=[O:5].[N:1](=[c:2]1\[n:6][c:7]1[H:9])\[H:8],"InChI=1S/C2H2N4O/c3-2-1-4-7-6-5-2/h1,3H/b3-2-","InChI=1S/C2H2N2.N2O/c3-2-1-4-2;1-2-3/h1,3H;/b3-2-;",55.500930000000004,5.11681,
13426,[N:1](=[c:2]1\[n:3][n:4][o:5][n:6][c:7]1[H:9])\[H:8],[N:1](=[C:2]1\[N:3]=[N:4][C@@:7]1([N:6]=[O:5])[H:9])\[H:8],"InChI=1S/C2H2N4O/c3-2-1-4-7-6-5-2/h1,3H/b3-2-",InChI=1S/C2H2N4O/c3-1-2(6-7)5-4-1/h2-3H/b3-1-/t2-/m1/s1,38.9103,33.96667,ketoenol
13427,[N:1](=[c:2]1\[n:3][n:4][o:5][n:6][c:7]1[H:9])\[H:8],[N:1](=[C:2]=[N:3][N:4]=[O:5])[H:8].[N:6]#[C:7][H:9],"InChI=1S/C2H2N4O/c3-2-1-4-7-6-5-2/h1,3H/b3-2-",InChI=1S/CHN3O.CHN/c2-1-3-4-5;1-2/h2H;1H,38.46318,-0.72749,
13428,[N:1](=[c:2]1\[n:3][n:4][o:5][n:6][c:7]1[H:9])\[H:8],[N:1](=[C:2]1\[O:5][N:6]=[C:7]1[H:9])\[H:8].[N:3]#[N:4],"InChI=1S/C2H2N4O/c3-2-1-4-7-6-5-2/h1,3H/b3-2-","InChI=1S/C2H2N2O.N2/c3-2-1-4-5-2;1-2/h1,3H;/b3-2-;",1.56084,-39.881809999999994,
13429,[C:1]([C@@:2]1([H:11])[C@:3]([C:4]#[N:5])([H:12])[N:6]1[C:7]([H:13])([H:14])[H:15])([H:8])([H:9])[H:10],[C:1](=[C:2]([N:6]([C:3](=[C:4]=[N:5][H:10])[H:12])[C:7]([H:13])([H:14])[H:15])[H:11])([H:8])[H:9],"InChI=1S/C5H8N2/c1-4-5(3-6)7(4)2/h4-5H,1-2H3/t4-,5+,7?/m0/s1","InChI=1S/C5H8N2/c1-3-7(2)5-4-6/h3,5-6H,1H2,2H3",46.39567,12.514660000000001,
13430,[C:1]([C@@:2]1([H:11])[C@:3]([C:4]#[N:5])([H:12])[N:6]1[C:7]([H:13])([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[N:5]=[C:4]=[C:3]([H:12])[N:6]1[C:7]([H:13])([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-4-5(3-6)7(4)2/h4-5H,1-2H3/t4-,5+,7?/m0/s1","InChI=1S/C5H8N2/c1-5-6-3-4-7(5)2/h4-5H,1-2H3/t5-/m0/s1",87.21888,42.8442,
13431,[C:1]([C@@:2]1([H:11])[C@:3]([C:4]#[N:5])([H:12])[N:6]1[C:7]([H:13])([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]([C:3][H:12])([N:6]([C:4]#[N:5])[C:7]([H:13])([H:14])[H:15])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-4-5(3-6)7(4)2/h4-5H,1-2H3/t4-,5+,7?/m0/s1","InChI=1S/C5H8N2/c1-5(2)7(3)4-6/h1,5H,2-3H3/t5-/m1/s1",82.11265,79.12175,
13432,[C:1]([C@@:2]1([H:11])[C@:3]([C:4]#[N:5])([H:12])[N:6]1[C:7]([H:13])([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C@:3]([N+:5]#[C-:4])([H:12])[N:6]1[C:7]([H:13])([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-4-5(3-6)7(4)2/h4-5H,1-2H3/t4-,5+,7?/m0/s1","InChI=1S/C5H8N2/c1-4-5(6-2)7(4)3/h4-5H,1,3H3/t4-,5-,7?/m0/s1",57.58456999999999,24.834770000000002,
13433,[C:1]([C@@:2]1([H:11])[C@:3]([C:4]#[N:5])([H:12])[N:6]1[C:7]([H:13])([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])=[C:4]=[N:5][C:7]([H:13])([H:15])[N:6]1[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-4-5(3-6)7(4)2/h4-5H,1-2H3/t4-,5+,7?/m0/s1","InChI=1S/C5H8N2/c1-5-2-3-6-4-7-5/h2,5,7H,4H2,1H3/t5-/m0/s1",67.37581,20.19014,
13434,[C:1]([C@@:2]1([H:11])[C@:3]([C:4]#[N:5])([H:12])[N:6]1[C:7]([H:13])([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C-:3]([H:12])[N+:6]1([C:4]#[N:5])[C:7]([H:13])([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-4-5(3-6)7(4)2/h4-5H,1-2H3/t4-,5+,7?/m0/s1","InChI=1S/C5H8N2/c1-5-3-7(5,2)4-6/h3,5H,1-2H3/t5-,7?/m0/s1",73.99205,70.32431,
13435,[C:1]([C@@:2]1([H:11])[C@:3]([C:4]#[N:5])([H:12])[N:6]1[C:7]([H:13])([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([C:4]#[N:5])=[N+:6]1[C-:7]([H:14])[H:15])([H:8])([H:9])[H:10].[H:12][H:13],"InChI=1S/C5H8N2/c1-4-5(3-6)7(4)2/h4-5H,1-2H3/t4-,5+,7?/m0/s1","InChI=1S/C5H6N2.H2/c1-4-5(3-6)7(4)2;/h4H,2H2,1H3;1H/t4-;/m0./s1",64.75069,56.18897,
13436,[C:1]([C@@:2]1([H:11])[C@:3]([C:4]#[N:5])([H:12])[N:6]1[C:7]([H:13])([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([C+:2]1[C@:3]([C-:4]=[N:5][H:11])([H:12])[N:6]1[C:7]([H:13])([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-4-5(3-6)7(4)2/h4-5H,1-2H3/t4-,5+,7?/m0/s1","InChI=1S/C5H8N2/c1-4-5(3-6)7(4)2/h5-6H,1-2H3/t5-,7?/m1/s1",122.15958,80.50834,
13437,[C:1]([C@@:2]1([H:11])[C@:3]([C:4]#[N:5])([H:12])[N:6]1[C:7]([H:13])([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([N+:6]1([C:7]([H:13])([H:14])[H:15])[C-:2]([H:11])[C@:3]1([C:4]#[N:5])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-4-5(3-6)7(4)2/h4-5H,1-2H3/t4-,5+,7?/m0/s1","InChI=1S/C5H8N2/c1-7(2)4-5(7)3-6/h4-5H,1-2H3/t5-/m1/s1",101.0606,59.77365,
13438,[C:1]([C@@:2]1([H:11])[C@:3]([C:4]#[N:5])([H:12])[N:6]1[C:7]([H:13])([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C-:3]([C:4]#[N:5])[N+:6]1([C:7]([H:13])([H:14])[H:15])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-4-5(3-6)7(4)2/h4-5H,1-2H3/t4-,5+,7?/m0/s1","InChI=1S/C5H8N2/c1-4-5(3-6)7(4)2/h4,7H,1-2H3/t4-/m0/s1",65.88664,37.998909999999995,
13439,[C:1]([C@@:2]1([H:11])[C@:3]([C:4]#[N:5])([H:12])[N:6]1[C:7]([H:13])([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([C:2](=[N+:6]([N-:5][C:4]#[C:3][H:12])[C:7]([H:13])([H:14])[H:15])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-4-5(3-6)7(4)2/h4-5H,1-2H3/t4-,5+,7?/m0/s1","InChI=1S/C5H8N2/c1-4-6-7(3)5-2/h1,5H,2-3H3",71.92996,51.89363,
13440,[C:1]([C@@:2]1([H:11])[C@:3]([C:4]#[N:5])([H:12])[N:6]1[C:7]([H:13])([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[N:6]([C:7]([H:13])([H:14])[H:15])[C:3]([H:12])=[C:4]=[N:5]1,"InChI=1S/C5H8N2/c1-4-5(3-6)7(4)2/h4-5H,1-2H3/t4-,5+,7?/m0/s1","InChI=1S/C5H8N2/c1-7-4-2-6-3-5-7/h5H,2,4H2,1H3",75.14036,29.096220000000002,
13441,[C:1]([C@@:2]1([H:11])[C@:3]([C:4]#[N:5])([H:12])[N:6]1[C:7]([H:13])([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([C-:2]1[C@:3]([C:4]#[N:5])([H:12])[N+:6]1([C:7]([H:13])([H:14])[H:15])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-4-5(3-6)7(4)2/h4-5H,1-2H3/t4-,5+,7?/m0/s1","InChI=1S/C5H8N2/c1-4-5(3-6)7(4)2/h5,7H,1-2H3/t5-/m1/s1",71.61336999999999,50.645759999999996,
13442,[C:1]([C@@:2]1([H:11])[C@:3]([C:4]#[N:5])([H:12])[N:6]1[C:7]([H:13])([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([C@:2]1([H:11])[C:4](/[C:3](=[N:6]/[C:7]([H:13])([H:14])[H:15])[H:12])=[N:5]1)([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-4-5(3-6)7(4)2/h4-5H,1-2H3/t4-,5+,7?/m0/s1","InChI=1S/C5H8N2/c1-4-5(7-4)3-6-2/h3-4H,1-2H3/b6-3+/t4-/m1/s1",59.50198,17.25729,
13443,[C:1]([C@@:2]1([H:11])[C@:3]([C:4]#[N:5])([H:12])[N:6]1[C:7]([H:13])([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([C-:2]([N+:6](=[C:3]([C:4]#[N:5])[H:12])[C:7]([H:13])([H:14])[H:15])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-4-5(3-6)7(4)2/h4-5H,1-2H3/t4-,5+,7?/m0/s1","InChI=1S/C5H8N2/c1-3-7(2)5-4-6/h3,5H,1-2H3",29.67718,4.88051,
13444,[C:1]([C@@:2]1([H:11])[C@:3]([C:4]#[N:5])([H:12])[N:6]1[C:7]([H:13])([H:14])[H:15])([H:8])([H:9])[H:10],[C:1](/[C:2](=[N:6]/[C@@:3]([C:4]#[N:5])([C:7]([H:13])([H:14])[H:15])[H:12])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-4-5(3-6)7(4)2/h4-5H,1-2H3/t4-,5+,7?/m0/s1","InChI=1S/C5H8N2/c1-3-7-5(2)4-6/h3,5H,1-2H3/b7-3+/t5-/m1/s1",87.15368000000001,-17.71989,
13445,[C:1]([C@@:2]1([H:11])[C@:3]([C:4]#[N:5])([H:12])[N:6]1[C:7]([H:13])([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([C:2](/[N:6]=[C:3](/[C:4]#[N:5])[H:12])([C:7]([H:13])([H:14])[H:15])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-4-5(3-6)7(4)2/h4-5H,1-2H3/t4-,5+,7?/m0/s1","InChI=1S/C5H8N2/c1-5(2)7-4-3-6/h4-5H,1-2H3/b7-4+",87.46500999999999,-16.44501,
13446,[C:1]([C@@:2]1([H:11])[C@:3]([C:4]#[N:5])([H:12])[N:6]1[C:7]([H:13])([H:14])[H:15])([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:3](\[C:4]#[N:5])[H:12])[H:11])([H:8])([H:9])[H:10].[N:6](=[C:7]([H:14])[H:15])[H:13],"InChI=1S/C5H8N2/c1-4-5(3-6)7(4)2/h4-5H,1-2H3/t4-,5+,7?/m0/s1","InChI=1S/C4H5N.CH3N/c1-2-3-4-5;1-2/h2-3H,1H3;2H,1H2/b3-2-;",83.1125,-0.83239,
13447,[C:1]([C@@:2]1([H:11])[C@:3]([C:4]#[N:5])([H:12])[N:6]1[C:7]([H:13])([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([C:2]1=[N+:6]([C-:7]([H:14])[H:15])[C@@:3]1([C:4]#[N:5])[H:12])([H:8])([H:9])[H:10].[H:11][H:13],"InChI=1S/C5H8N2/c1-4-5(3-6)7(4)2/h4-5H,1-2H3/t4-,5+,7?/m0/s1","InChI=1S/C5H6N2.H2/c1-4-5(3-6)7(4)2;/h5H,2H2,1H3;1H/t5-;/m1./s1",69.0608,64.18055,
13448,[C:1]([C@@:2]1([H:11])[C@:3]([C:4]#[N:5])([H:12])[N:6]1[C:7]([H:13])([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3](=[C:4]=[N:5][H:12])[N:6]1[C:7]([H:13])([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-4-5(3-6)7(4)2/h4-5H,1-2H3/t4-,5+,7?/m0/s1","InChI=1S/C5H8N2/c1-4-5(3-6)7(4)2/h4,6H,1-2H3/t4-,7?/m0/s1",104.19716,28.225479999999997,
13449,[C:1]([C@@:2]1([H:11])[C@:3]([C:4]#[N:5])([H:12])[N:6]1[C:7]([H:13])([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])/[C:4](=[N:5]/[C:7]([H:13])([H:14])[H:15])[N:6]12)([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-4-5(3-6)7(4)2/h4-5H,1-2H3/t4-,5+,7?/m0/s1","InChI=1S/C5H8N2/c1-3-4-5(6-2)7(3)4/h3-4H,1-2H3/b6-5-/t3-,4-,7?/m0/s1",90.57030999999999,31.755979999999997,
13450,[C:1]([C@@:2]1([H:11])[C@:3]([C:4]#[N:5])([H:12])[N:6]1[C:7]([H:13])([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:13].[C:2]1([H:11])=[N+:6]([C-:7]([H:14])[H:15])[C@@:3]1([C:4]#[N:5])[H:12],"InChI=1S/C5H8N2/c1-4-5(3-6)7(4)2/h4-5H,1-2H3/t4-,5+,7?/m0/s1","InChI=1S/C4H4N2.CH4/c1-6-3-4(6)2-5;/h3-4H,1H2;1H4/t4-;/m1./s1",86.1368,56.91255,
13451,[N:1]#[C:2][C:3]12[C:4]([H:8])([H:9])[C:5]([H:10])([C:6]1([H:11])[H:12])[O:7]2,[N:1]#[C:2][C@@:3]1([C:6]([C:5][H:10])([H:11])[H:12])[C:4]([H:8])([H:9])[O:7]1,"InChI=1S/C5H5NO/c6-3-5-1-4(2-5)7-5/h4H,1-2H2","InChI=1S/C5H5NO/c1-2-5(3-6)4-7-5/h1H,2,4H2/t5-/m0/s1",79.31307,57.283159999999995,
13452,[N:1]#[C:2][C:3]12[C:4]([H:8])([H:9])[C:5]([H:10])([C:6]1([H:11])[H:12])[O:7]2,[N-:1]=[C:2]=[C+:3][C:6]([C@@:5]1([H:10])[C:4]([H:8])([H:9])[O:7]1)([H:11])[H:12],"InChI=1S/C5H5NO/c6-3-5-1-4(2-5)7-5/h4H,1-2H2","InChI=1S/C5H5NO/c6-3-1-2-5-4-7-5/h5H,2,4H2/t5-/m0/s1",62.585080000000005,37.1438,
13453,[N:1]#[C:2][C:3]12[C:4]([H:8])([H:9])[C:5]([H:10])([C:6]1([H:11])[H:12])[O:7]2,[N:1]#[C:2][C:3](=[C:4]([H:8])[H:9])[C:6]([C:5](=[O:7])[H:10])([H:11])[H:12],"InChI=1S/C5H5NO/c6-3-5-1-4(2-5)7-5/h4H,1-2H2","InChI=1S/C5H5NO/c1-5(4-6)2-3-7/h3H,1-2H2",30.728340000000003,-51.06429,
13454,[N:1]#[C:2][C:3]12[C:4]([H:8])([H:9])[C:5]([H:10])([C:6]1([H:11])[H:12])[O:7]2,[N-:1]=[C:2]([C@:3]12[C+:4]([H:9])[C@:5]([H:10])([C:6]1([H:11])[H:12])[O:7]2)[H:8],"InChI=1S/C5H5NO/c6-3-5-1-4(2-5)7-5/h4H,1-2H2","InChI=1S/C5H5NO/c6-3-5-1-4(2-5)7-5/h1,3-4H,2H2/t4-,5+/m1/s1",101.44617,96.17825,
13455,[N:1]#[C:2][C:3]12[C:4]([H:8])([H:9])[C:5]([H:10])([C:6]1([H:11])[H:12])[O:7]2,[N+:1](#[C-:2])[C:3]12[C:4]([H:8])([H:9])[C:5]([H:10])([C:6]1([H:11])[H:12])[O:7]2,"InChI=1S/C5H5NO/c6-3-5-1-4(2-5)7-5/h4H,1-2H2","InChI=1S/C5H5NO/c1-6-5-2-4(3-5)7-5/h4H,2-3H2",56.88454,21.5513,
13456,[N:1]#[C:2][C:3]12[C:4]([H:8])([H:9])[C:5]([H:10])([C:6]1([H:11])[H:12])[O:7]2,[N+:1](#[C-:2])[C:4]([C@:5]1([H:10])[C:6]([H:11])([H:12])[C-:3]=[O+:7]1)([H:8])[H:9],"InChI=1S/C5H5NO/c6-3-5-1-4(2-5)7-5/h4H,1-2H2","InChI=1S/C5H5NO/c1-6-4-5-2-3-7-5/h5H,2,4H2/t5-/m0/s1",73.60234,38.17627,
13457,[N:1]#[C:2][C:3]12[C:4]([H:8])([H:9])[C:5]([H:10])([C:6]1([H:11])[H:12])[O:7]2,[N:1]#[C:2][C:6]([C@@:5]1([H:10])[C:4]([H:8])([H:9])[C-:3]=[O+:7]1)([H:11])[H:12],"InChI=1S/C5H5NO/c6-3-5-1-4(2-5)7-5/h4H,1-2H2","InChI=1S/C5H5NO/c6-3-1-5-2-4-7-5/h5H,1-2H2/t5-/m0/s1",56.20706,12.32217,
13458,[N:1]#[C:2][C:3]12[C:4]([H:8])([H:9])[C:5]([H:10])([C:6]1([H:11])[H:12])[O:7]2,[N:1]#[C:2][C:3]([C:6]([C:5](=[C:4]([H:8])[H:9])[H:10])([H:11])[H:12])=[O:7],"InChI=1S/C5H5NO/c6-3-5-1-4(2-5)7-5/h4H,1-2H2","InChI=1S/C5H5NO/c1-2-3-5(7)4-6/h2H,1,3H2",29.71159,-47.94713,
13459,[N:1]#[C:2][C:3]12[C:4]([H:8])([H:9])[C:5]([H:10])([C:6]1([H:11])[H:12])[O:7]2,[N:1]#[C:2][C@:3]1([C:4]([H:8])([H:9])[H:10])[C:6]([H:11])([H:12])[C-:5]=[O+:7]1,"InChI=1S/C5H5NO/c6-3-5-1-4(2-5)7-5/h4H,1-2H2","InChI=1S/C5H5NO/c1-5(4-6)2-3-7-5/h2H2,1H3/t5-/m0/s1",56.847190000000005,11.75415,
13460,[N:1]([C@@:2]([C:3]([C:4]([O:5][H:15])([H:13])[H:14])([H:11])[H:12])([C:6]#[N:7])[H:10])([H:8])[H:9],[N:1]1([H:9])[C@@:2]([C:6]#[N:7])([H:10])[C:3]([H:11])([H:12])[C:4]1([H:13])[H:14].[O:5]([H:8])[H:15],"InChI=1S/C4H8N2O/c5-3-4(6)1-2-7/h4,7H,1-2,6H2/t4-/m0/s1","InChI=1S/C4H6N2.H2O/c5-3-4-1-2-6-4;/h4,6H,1-2H2;1H2/t4-;/m0./s1",69.7134,20.438570000000002,
13461,[N:1]([C@@:2]([C:3]([C:4]([O:5][H:15])([H:13])[H:14])([H:11])[H:12])([C:6]#[N:7])[H:10])([H:8])[H:9],[N:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[O:5]/[C:6]1=[N:7]\[H:15])([H:8])[H:9],"InChI=1S/C4H8N2O/c5-3-4(6)1-2-7/h4,7H,1-2,6H2/t4-/m0/s1","InChI=1S/C4H8N2O/c5-3-1-2-7-4(3)6/h3,6H,1-2,5H2/b6-4-/t3-/m0/s1",51.22316,-9.99342,
13462,[N:1]([C@@:2]([C:3]([C:4]([O:5][H:15])([H:13])[H:14])([H:11])[H:12])([C:6]#[N:7])[H:10])([H:8])[H:9],[N:1]([N:7]=[C:6]=[C:2]([C:3]([C:4]([O:5][H:15])([H:13])[H:14])([H:11])[H:12])[H:10])([H:8])[H:9],"InChI=1S/C4H8N2O/c5-3-4(6)1-2-7/h4,7H,1-2,6H2/t4-/m0/s1","InChI=1S/C4H8N2O/c5-6-3-1-2-4-7/h1,7H,2,4-5H2",80.9916,37.7384,
13463,[N:1]([C@@:2]([C:3]([C:4]([O:5][H:15])([H:13])[H:14])([H:11])[H:12])([C:6]#[N:7])[H:10])([H:8])[H:9],[N:1]([C:2]([C:3]([C:4]([O:5][H:15])([H:13])[H:14])([H:11])[H:12])=[C:6]=[N:7][H:10])([H:8])[H:9],"InChI=1S/C4H8N2O/c5-3-4(6)1-2-7/h4,7H,1-2,6H2/t4-/m0/s1","InChI=1S/C4H8N2O/c5-3-4(6)1-2-7/h5,7H,1-2,6H2",78.63282,17.08983,
13464,[N:1]([C@@:2]([C:3]([C:4]([O:5][H:15])([H:13])[H:14])([H:11])[H:12])([C:6]#[N:7])[H:10])([H:8])[H:9],[N:1]([C@@:2]1([H:10])[C@@:3]([C:4]([O:5][H:15])([H:13])[H:14])([H:12])[N:7]([H:11])[C:6]1)([H:8])[H:9],"InChI=1S/C4H8N2O/c5-3-4(6)1-2-7/h4,7H,1-2,6H2/t4-/m0/s1","InChI=1S/C4H8N2O/c5-3-1-6-4(3)2-7/h3-4,6-7H,2,5H2/t3-,4+/m1/s1",117.58136999999999,67.78438,
13465,[N:1]([C@@:2]([C:3]([C:4]([O:5][H:15])([H:13])[H:14])([H:11])[H:12])([C:6]#[N:7])[H:10])([H:8])[H:9],[C:3](=[C:4]([O:5][H:15])[H:13])([H:11])[H:12].[N:1]([C:2](=[C:6]=[N:7][H:14])[H:10])([H:8])[H:9],"InChI=1S/C4H8N2O/c5-3-4(6)1-2-7/h4,7H,1-2,6H2/t4-/m0/s1","InChI=1S/C2H4N2.C2H4O/c3-1-2-4;1-2-3/h1,4H,3H2;2-3H,1H2",50.60051,38.08057,Retroene
13466,[N:1]([C@@:2]([C:3]([C:4]([O:5][H:15])([H:13])[H:14])([H:11])[H:12])([C:6]#[N:7])[H:10])([H:8])[H:9],[H:9][H:12].[N:1](=[C:2](\[C@:3]([C:4]([O:5][H:15])([H:13])[H:14])([C:6]#[N:7])[H:11])[H:10])\[H:8],"InChI=1S/C4H8N2O/c5-3-4(6)1-2-7/h4,7H,1-2,6H2/t4-/m0/s1","InChI=1S/C4H6N2O.H2/c5-1-4(2-6)3-7;/h1,4-5,7H,3H2;1H/b5-1-;/t4-;/m0./s1",96.431,22.34743,
13467,[N:1]([C@@:2]([C:3]([C:4]([O:5][H:15])([H:13])[H:14])([H:11])[H:12])([C:6]#[N:7])[H:10])([H:8])[H:9],[C:4]([O:5][H:15])([H:12])([H:13])[H:14].[N+:1]1([H:8])([H:9])[C@@:2]([C:6]#[N:7])([H:10])[C-:3]1[H:11],"InChI=1S/C4H8N2O/c5-3-4(6)1-2-7/h4,7H,1-2,6H2/t4-/m0/s1","InChI=1S/C3H4N2.CH4O/c4-1-3-2-5-3;1-2/h2-3H,5H2;2H,1H3/t3-;/m1./s1",85.75825,87.33173000000001,
13468,[N:1]([C@@:2]([C:3]([C:4]([O:5][H:15])([H:13])[H:14])([H:11])[H:12])([C:6]#[N:7])[H:10])([H:8])[H:9],[C:4](=[O:5])([H:13])[H:14].[C:6](#[N:7])[H:15].[N:1]([C:2](=[C:3]([H:11])[H:12])[H:10])([H:8])[H:9],"InChI=1S/C4H8N2O/c5-3-4(6)1-2-7/h4,7H,1-2,6H2/t4-/m0/s1","InChI=1S/C2H5N.CHN.CH2O/c1-2-3;2*1-2/h2H,1,3H2;1H;1H2",32.20581,36.397,
13469,[N:1]([C@@:2]([C:3]([C:4]([O:5][H:15])([H:13])[H:14])([H:11])[H:12])([C:6]#[N:7])[H:10])([H:8])[H:9],[N:1]([C@@:2]([C:3](=[C:4]([H:13])[H:14])[H:11])([C:6]#[N:7])[H:10])([H:8])[H:9].[O:5]([H:12])[H:15],"InChI=1S/C4H8N2O/c5-3-4(6)1-2-7/h4,7H,1-2,6H2/t4-/m0/s1","InChI=1S/C4H6N2.H2O/c1-2-4(6)3-5;/h2,4H,1,6H2;1H2/t4-;/m0./s1",60.39937,12.69913,"1,3_Insertion_ROR"
13470,[N:1]([C@@:2]([C:3]([C:4]([O:5][H:15])([H:13])[H:14])([H:11])[H:12])([C:6]#[N:7])[H:10])([H:8])[H:9],[N:1]([C@@:2]([C:3]([C:4]([O:5][H:15])([H:13])[H:14])([H:11])[H:12])([N+:7]#[C-:6])[H:10])([H:8])[H:9],"InChI=1S/C4H8N2O/c5-3-4(6)1-2-7/h4,7H,1-2,6H2/t4-/m0/s1","InChI=1S/C4H8N2O/c1-6-4(5)2-3-7/h4,7H,2-3,5H2/t4-/m1/s1",35.28333,19.30499,
13471,[N:1]([C@@:2]([C:3]([C:4]([O:5][H:15])([H:13])[H:14])([H:11])[H:12])([C:6]#[N:7])[H:10])([H:8])[H:9],[C:2](=[C:3](/[C:4]([O:5][H:15])([H:13])[H:14])[H:11])(\[C:6]#[N:7])[H:10].[N:1]([H:8])([H:9])[H:12],"InChI=1S/C4H8N2O/c5-3-4(6)1-2-7/h4,7H,1-2,6H2/t4-/m0/s1","InChI=1S/C4H5NO.H3N/c5-3-1-2-4-6;/h1-2,6H,4H2;1H3/b2-1+;",58.90833000000001,8.5636,"1,3_NH3_elimination"
13472,[N:1]([C@@:2]([C:3]([C:4]([O:5][H:15])([H:13])[H:14])([H:11])[H:12])([C:6]#[N:7])[H:10])([H:8])[H:9],[N:1]([C:6]1=[N:7][C@@:2]1([C:3]([C:4]([O:5][H:15])([H:13])[H:14])([H:11])[H:12])[H:10])([H:8])[H:9],"InChI=1S/C4H8N2O/c5-3-4(6)1-2-7/h4,7H,1-2,6H2/t4-/m0/s1","InChI=1S/C4H8N2O/c5-4-3(6-4)1-2-7/h3,7H,1-2H2,(H2,5,6)/t3-/m1/s1",77.15946,23.08752,
13473,[N:1]([C@@:2]([C:3]([C:4]([O:5][H:15])([H:13])[H:14])([H:11])[H:12])([C:6]#[N:7])[H:10])([H:8])[H:9],[N:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@@:4]([O:5][H:15])([H:14])[N:7]([H:13])[C:6]1)([H:8])[H:9],"InChI=1S/C4H8N2O/c5-3-4(6)1-2-7/h4,7H,1-2,6H2/t4-/m0/s1","InChI=1S/C4H8N2O/c5-3-1-4(7)6-2-3/h3-4,6-7H,1,5H2/t3-,4-/m0/s1",75.8534,39.67881,
13474,[N:1]([C@@:2]([C:3]([C:4]([O:5][H:15])([H:13])[H:14])([H:11])[H:12])([C:6]#[N:7])[H:10])([H:8])[H:9],[C:4]([O:5][H:15])[H:13].[N:1]([C@@:2]([C:3]([H:11])([H:12])[H:14])([C:6]#[N:7])[H:10])([H:8])[H:9],"InChI=1S/C4H8N2O/c5-3-4(6)1-2-7/h4,7H,1-2,6H2/t4-/m0/s1","InChI=1S/C3H6N2.CH2O/c1-3(5)2-4;1-2/h3H,5H2,1H3;1-2H/t3-;/m0./s1",74.03166,71.34751999999999,
13475,[N:1]([C@@:2]([C:3]([C:4]([O:5][H:15])([H:13])[H:14])([H:11])[H:12])([C:6]#[N:7])[H:10])([H:8])[H:9],[C:3]([C:4]([O:5][H:15])([H:13])[H:14])([H:10])([H:11])[H:12].[N:1]([C+:2]=[C:6]=[N-:7])([H:8])[H:9],"InChI=1S/C4H8N2O/c5-3-4(6)1-2-7/h4,7H,1-2,6H2/t4-/m0/s1","InChI=1S/C2H2N2.C2H6O/c3-1-2-4;1-2-3/h3H2;3H,2H2,1H3",57.51954,43.64185,
13476,[N:1]([C@@:2]([C:3]([C:4]([O:5][H:15])([H:13])[H:14])([H:11])[H:12])([C:6]#[N:7])[H:10])([H:8])[H:9],[C:3](=[C:4]([H:13])[H:14])([H:11])[H:12].[N:1](=[C:2](\[C:6]#[N:7])[H:10])\[H:8].[O:5]([H:9])[H:15],"InChI=1S/C4H8N2O/c5-3-4(6)1-2-7/h4,7H,1-2,6H2/t4-/m0/s1","InChI=1S/C2H2N2.C2H4.H2O/c3-1-2-4;1-2;/h1,3H;1-2H2;1H2/b3-1-;;",50.55493,28.911009999999997,
13477,[N:1]([C@@:2]([C:3]([C:4]([O:5][H:15])([H:13])[H:14])([H:11])[H:12])([C:6]#[N:7])[H:10])([H:8])[H:9],[N:1]([C:2](=[C:6]=[N:7][C@:4]([C:3]([H:11])([H:12])[H:14])([O:5][H:15])[H:13])[H:10])([H:8])[H:9],"InChI=1S/C4H8N2O/c5-3-4(6)1-2-7/h4,7H,1-2,6H2/t4-/m0/s1","InChI=1S/C4H8N2O/c1-4(7)6-3-2-5/h2,4,7H,5H2,1H3/t4-/m0/s1",82.29043,19.2069,
13478,[N:1]([C@@:2]([C:3]([C:4]([O:5][H:15])([H:13])[H:14])([H:11])[H:12])([C:6]#[N:7])[H:10])([H:8])[H:9],[N:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[O:5][N:7]([H:15])[C:6]1)([H:8])[H:9],"InChI=1S/C4H8N2O/c5-3-4(6)1-2-7/h4,7H,1-2,6H2/t4-/m0/s1","InChI=1S/C4H8N2O/c5-4-1-2-7-6-3-4/h4,6H,1-2,5H2/t4-/m0/s1",67.20483,69.70699,
13479,[N:1]([C@@:2]([C:3]([C:4]([O:5][H:15])([H:13])[H:14])([H:11])[H:12])([C:6]#[N:7])[H:10])([H:8])[H:9],[C:6]#[N:7].[N:1]([C:2]([C:3]([C:4]([O:5][H:15])([H:13])[H:14])([H:11])[H:12])[H:10])([H:8])[H:9],"InChI=1S/C4H8N2O/c5-3-4(6)1-2-7/h4,7H,1-2,6H2/t4-/m0/s1","InChI=1S/C3H8NO.CN/c4-2-1-3-5;1-2/h2,5H,1,3-4H2;",32.21844,109.99891000000001,
13480,[N:1]([C@@:2]([C:3]([C:4]([O:5][H:15])([H:13])[H:14])([H:11])[H:12])([C:6]#[N:7])[H:10])([H:8])[H:9],[N+:1]([C-:2]([C:3]([C:4]([O:5][H:15])([H:13])[H:14])([H:11])[H:12])[C:6]#[N:7])([H:8])([H:9])[H:10],"InChI=1S/C4H8N2O/c5-3-4(6)1-2-7/h4,7H,1-2,6H2/t4-/m0/s1","InChI=1S/C4H8N2O/c5-3-4(6)1-2-7/h7H,1-2H2,6H3",66.77645,41.11938,
13481,[N:1]([C@@:2]([C:3]([C:4]([O:5][H:15])([H:13])[H:14])([H:11])[H:12])([C:6]#[N:7])[H:10])([H:8])[H:9],[H:12][H:14].[N:1]([C@@:2](/[C:3](=[C:4](\[O:5][H:15])[H:13])[H:11])([C:6]#[N:7])[H:10])([H:8])[H:9],"InChI=1S/C4H8N2O/c5-3-4(6)1-2-7/h4,7H,1-2,6H2/t4-/m0/s1","InChI=1S/C4H6N2O.H2/c5-3-4(6)1-2-7;/h1-2,4,7H,6H2;1H/b2-1-;/t4-;/m0./s1",102.42945999999999,25.36125,
13482,[C:1]([C:2]([C:3]([C:4]1([H:15])[C:5]([H:16])([H:17])[O:6][C:7]1([H:18])[H:19])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@:3]1([H:14])[C@:4]2([H:15])[C@@:5]1([H:17])[O:6][C:7]2([H:18])[H:19])([H:11])[H:12])([H:8])([H:9])[H:10].[H:13][H:16],"InChI=1S/C6H12O/c1-2-3-6-4-7-5-6/h6H,2-5H2,1H3","InChI=1S/C6H10O.H2/c1-2-4-5-3-7-6(4)5;/h4-6H,2-3H2,1H3;1H/t4-,5-,6+;/m1./s1",92.50322,40.72436,
13483,[C:1]([C:2]([C:3]([C:4]1([H:15])[C:5]([H:16])([H:17])[O:6][C:7]1([H:18])[H:19])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([C:4]([C:7]([O+:6]=[C-:5][H:17])([H:18])[H:19])([H:15])[H:16])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-2-3-6-4-7-5-6/h6H,2-5H2,1H3","InChI=1S/C6H12O/c1-3-4-5-6-7-2/h2H,3-6H2,1H3",76.30006,45.771440000000005,
13484,[C:1]([C:2]([C:3]([C:4]1([H:15])[C:5]([H:16])([H:17])[O:6][C:7]1([H:18])[H:19])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([C:4](=[C:5]([H:16])[H:17])[C:7]([O:6][H:15])([H:18])[H:19])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-2-3-6-4-7-5-6/h6H,2-5H2,1H3","InChI=1S/C6H12O/c1-3-4-6(2)5-7/h7H,2-5H2,1H3",83.51758000000001,-13.75874,
13485,[C:1]([C:2]([C:3]([C:4]1([H:15])[C:5]([H:16])([H:17])[O:6][C:7]1([H:18])[H:19])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([C:4](=[C:7]([H:18])[H:19])[H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10].[C:5](=[O:6])([H:16])[H:17],"InChI=1S/C6H12O/c1-2-3-6-4-7-5-6/h6H,2-5H2,1H3","InChI=1S/C5H10.CH2O/c1-3-5-4-2;1-2/h3H,1,4-5H2,2H3;1H2",56.935390000000005,4.860180000000001,2+2_cycloaddition
13486,[C:1]([C:2]([C:3]([C:4]1([H:15])[C:5]([H:16])([H:17])[O:6][C:7]1([H:18])[H:19])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:13])([H:14])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10].[C:4]1[C:5]([H:16])([H:17])[O:6][C:7]1([H:18])[H:19],"InChI=1S/C6H12O/c1-2-3-6-4-7-5-6/h6H,2-5H2,1H3","InChI=1S/C3H4O.C3H8/c1-2-4-3-1;1-3-2/h2-3H2;3H2,1-2H3",88.72499,96.03161999999999,
13487,[C:1]([C:2]([C:3]([C:4]1([H:15])[C:5]([H:16])([H:17])[O:6][C:7]1([H:18])[H:19])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([C@:4]([C:5][H:16])([C:7]([O:6][H:17])([H:18])[H:19])[H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-2-3-6-4-7-5-6/h6H,2-5H2,1H3","InChI=1S/C6H12O/c1-3-4-6(2)5-7/h2,6-7H,3-5H2,1H3/t6-/m0/s1",73.12786,73.10544,
13488,[C:1]([C:2]([C:3]([C:4]1([H:15])[C:5]([H:16])([H:17])[O:6][C:7]1([H:18])[H:19])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](=[C:2]([C:3]([C:4]1([H:15])[C:5]([H:16])([H:17])[O:6][C:7]1([H:18])[H:19])([H:13])[H:14])[H:11])([H:9])[H:10].[H:8][H:12],"InChI=1S/C6H12O/c1-2-3-6-4-7-5-6/h6H,2-5H2,1H3","InChI=1S/C6H10O.H2/c1-2-3-6-4-7-5-6;/h2,6H,1,3-5H2;1H",107.27578000000001,30.53678,
13489,[C:1]([C:2]([C:3]([C:4]1([H:15])[C:5]([H:16])([H:17])[O:6][C:7]1([H:18])[H:19])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([C@:4]1([H:15])[C-:5]=[O+:6][C:7]1([H:18])[H:19])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10].[H:16][H:17],"InChI=1S/C6H12O/c1-2-3-6-4-7-5-6/h6H,2-5H2,1H3","InChI=1S/C6H10O.H2/c1-2-3-6-4-7-5-6;/h6H,2-4H2,1H3;1H/t6-;/m0./s1",74.88919,69.34408,
13490,[C:1]([C:2]([C:3]([C:4]1([H:15])[C:5]([H:16])([H:17])[O:6][C:7]1([H:18])[H:19])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([C:4]1=[C:7]([H:18])[O:6][C:5]1([H:16])[H:17])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10].[H:15][H:19],"InChI=1S/C6H12O/c1-2-3-6-4-7-5-6/h6H,2-5H2,1H3","InChI=1S/C6H10O.H2/c1-2-3-6-4-7-5-6;/h4H,2-3,5H2,1H3;1H",106.88378,30.457790000000003,
13491,[C:1]([C:2]([C:3]([C:4]1([H:15])[C:5]([H:16])([H:17])[O:6][C:7]1([H:18])[H:19])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]([H:13])[H:14])[H:11])([H:8])([H:9])[H:10].[C:4]1([H:15])=[C:7]([H:19])[O:6][C:5]1([H:16])[H:17].[H:12][H:18],"InChI=1S/C6H12O/c1-2-3-6-4-7-5-6/h6H,2-5H2,1H3","InChI=1S/C3H4O.C3H6.H2/c1-2-4-3-1;1-3-2;/h1-2H,3H2;3H,1H2,2H3;1H",80.41133,53.51239,
13492,[C:1]([C:2]([C:3]([C:4]1([H:15])[C:5]([H:16])([H:17])[O:6][C:7]1([H:18])[H:19])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([C:4][C:5]([O:6][C:7]([H:15])([H:18])[H:19])([H:16])[H:17])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-2-3-6-4-7-5-6/h6H,2-5H2,1H3","InChI=1S/C6H12O/c1-3-4-5-6-7-2/h3-4,6H2,1-2H3",77.6421,71.07252,
13493,[C:1]([C:2](=[O:3])[C:4](=[O:5])[C:6](=[O:7])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2](=[O:3])[C:4]([O-:5])=[C+:6][O:7][H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H4O3/c1-3(6)4(7)2-5/h2H,1H3","InChI=1S/C4H4O3/c1-3(6)4(7)2-5/h1H3,(H-,5,6,7)",77.67891,43.52786,
13494,[C:1]([C:2](=[O:3])[C:4](=[O:5])[C:6](=[O:7])[H:11])([H:8])([H:9])[H:10],[C:1](=[C:2]=[O:3])([H:8])[H:9].[C:4](=[O:5])([C:6](=[O:7])[H:11])[H:10],"InChI=1S/C4H4O3/c1-3(6)4(7)2-5/h2H,1H3",InChI=1S/C2H2O2.C2H2O/c3-1-2-4;1-2-3/h1-2H;1H2,67.22753,22.02386,
13495,[C:1]([C:2](=[O:3])[C:4](=[O:5])[C:6](=[O:7])[H:11])([H:8])([H:9])[H:10],[C-:4]#[O+:5].[C:1]([C:2](=[O:3])[C:6](=[O:7])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H4O3/c1-3(6)4(7)2-5/h2H,1H3","InChI=1S/C3H4O2.CO/c1-3(5)2-4;1-2/h2H,1H3;",34.35532,-4.2323699999999995,"1,2_Insertion_CO"
13496,[C:1]([C:2](=[O:3])[C:4](=[O:5])[C:6](=[O:7])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2](=[O:3])[O+:5]=[C:4]=[C:6]([O-:7])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H4O3/c1-3(6)4(7)2-5/h2H,1H3","InChI=1S/C4H4O3/c1-4(6)7-3-2-5/h2H,1H3",54.35504,47.54229,
13497,[C:1]([C:2](=[O:3])[C:4](=[O:5])[C:6](=[O:7])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2](=[O:3])[O:7][C:6](=[C:4]=[O:5])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H4O3/c1-3(6)4(7)2-5/h2H,1H3","InChI=1S/C4H4O3/c1-4(6)7-3-2-5/h3H,1H3",42.1809,-6.0793800000000005,ketoenol
13498,[C:1]([C:2](=[O:3])[C:4](=[O:5])[C:6](=[O:7])[H:11])([H:8])([H:9])[H:10],[C:1]([C-:2]=[O+:3][C@:6]1([H:11])[C:4](=[O:5])[O:7]1)([H:8])([H:9])[H:10],"InChI=1S/C4H4O3/c1-3(6)4(7)2-5/h2H,1H3","InChI=1S/C4H4O3/c1-2-6-4-3(5)7-4/h4H,1H3/t4-/m0/s1",75.88122,71.16503,
13499,[C:1]([C:2](=[O:3])[C:4](=[O:5])[C:6](=[O:7])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([O-:3])=[C:4]=[O+:5][C:6](=[O:7])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H4O3/c1-3(6)4(7)2-5/h2H,1H3","InChI=1S/C4H4O3/c1-4(6)2-7-3-5/h3H,1H3",51.57907,43.180209999999995,
13500,[C:1]([C:2](=[O:3])[C:4](=[O:5])[C:6](=[O:7])[H:11])([H:8])([H:9])[H:10],[C:1](=[C:2]([O:3][H:10])[C:4](=[O:5])[C:6](=[O:7])[H:11])([H:8])[H:9],"InChI=1S/C4H4O3/c1-3(6)4(7)2-5/h2H,1H3","InChI=1S/C4H4O3/c1-3(6)4(7)2-5/h2,6H,1H2",62.15141,4.96762,ketoenol
13501,[C:1]([C:2](=[O:3])[C:4](=[O:5])[C:6](=[O:7])[H:11])([H:8])([H:9])[H:10],[C:1](=[C:2]1[O:3][C@:6]([O:7][H:10])([H:11])[C:4]1=[O:5])([H:8])[H:9],"InChI=1S/C4H4O3/c1-3(6)4(7)2-5/h2H,1H3","InChI=1S/C4H4O3/c1-2-3(5)4(6)7-2/h4,6H,1H2/t4-/m1/s1",50.353390000000005,11.15225,
13502,[C:1]([C:2](=[O:3])[C:4](=[O:5])[C:6](=[O:7])[H:11])([H:8])([H:9])[H:10],[C-:6]#[O+:7].[C:1](=[C:2]([O-:3])[C:4]#[O+:5])([H:8])[H:9].[H:10][H:11],"InChI=1S/C4H4O3/c1-3(6)4(7)2-5/h2H,1H3",InChI=1S/C3H2O2.CO.H2/c1-3(5)2-4;1-2;/h1H2;;1H,61.610730000000004,35.01464,
13503,[C:1]([C:2](=[O:3])[C:4](=[O:5])[C:6](=[O:7])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]12[O:3][C:6]([H:11])([C:4]1=[O:5])[O:7]2)([H:8])([H:9])[H:10],"InChI=1S/C4H4O3/c1-3(6)4(7)2-5/h2H,1H3","InChI=1S/C4H4O3/c1-4-2(5)3(6-4)7-4/h3H,1H3",59.91826999999999,50.86013,
13504,[C:1]([C:2](=[O:3])[C:4](=[O:5])[C:6](=[O:7])[H:11])([H:8])([H:9])[H:10],[C-:6]#[O+:7].[C:1]([C:2]([O-:3])=[C+:4][O:5][H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H4O3/c1-3(6)4(7)2-5/h2H,1H3","InChI=1S/C3H4O2.CO/c1-3(5)2-4;1-2/h1H3,(H-,4,5);",48.96219,45.551840000000006,
13505,[C:1]([C:2](=[O:3])[C:4](=[O:5])[C:6](=[O:7])[H:11])([H:8])([H:9])[H:10],[C:1]([O:5][C:4](=[C:2]=[O:3])[C:6](=[O:7])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H4O3/c1-3(6)4(7)2-5/h2H,1H3","InChI=1S/C4H4O3/c1-7-4(2-5)3-6/h2H,1H3",72.98832,16.45505,ketoenol
13506,[C:1]([C:2](=[O:3])[C:4](=[O:5])[C:6](=[O:7])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([O:3][C:6](=[O:7])[H:11])=[C:4]=[O:5])([H:8])([H:9])[H:10],"InChI=1S/C4H4O3/c1-3(6)4(7)2-5/h2H,1H3","InChI=1S/C4H4O3/c1-4(2-5)7-3-6/h3H,1H3",39.36157,-1.6477099999999998,ketoenol
13507,[C:1]([C:2](=[O:3])[C:4](=[O:5])[C:6](=[O:7])[H:11])([H:8])([H:9])[H:10],[C:1](=[C:2]=[O:3])([H:8])[H:9].[C:4](=[O:5])=[C:6]([O:7][H:10])[H:11],"InChI=1S/C4H4O3/c1-3(6)4(7)2-5/h2H,1H3","InChI=1S/C2H2O2.C2H2O/c3-1-2-4;1-2-3/h1,3H;1H2",45.50873,32.20001,Retroene
13508,[C:1]([C:2](=[O:3])[C:4](=[O:5])[C:6](=[O:7])[H:11])([H:8])([H:9])[H:10],[C:1]1([H:8])([H:9])[C:2]2([O:3]1)[C:4](=[O:5])[C:6]([H:10])([H:11])[O:7]2,"InChI=1S/C4H4O3/c1-3(6)4(7)2-5/h2H,1H3",InChI=1S/C4H4O3/c5-3-1-6-4(3)2-7-4/h1-2H2,87.39548,33.56365,
13509,[C:1]([C:2](=[O:3])[C:4](=[O:5])[C:6](=[O:7])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2](=[O:3])[H:10])([C:4](=[O:5])[C:6](=[O:7])[H:11])([H:8])[H:9],"InChI=1S/C4H4O3/c1-3(6)4(7)2-5/h2H,1H3","InChI=1S/C4H4O3/c5-2-1-4(7)3-6/h2-3H,1H2",64.57871,0.29441,
13510,[C:1]([C:2](=[O:3])[C:4](=[O:5])[C:6](=[O:7])[H:11])([H:8])([H:9])[H:10],[C-:2]#[O+:3].[C:1]([O:7][C:6](=[C:4]=[O:5])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H4O3/c1-3(6)4(7)2-5/h2H,1H3","InChI=1S/C3H4O2.CO/c1-5-3-2-4;1-2/h3H,1H3;",74.2763,26.16553,
13511,[C:1]([C:2](=[O:3])[C:4](=[O:5])[C:6](=[O:7])[H:11])([H:8])([H:9])[H:10],[C:1]([C@:2]1([O+:7]=[C-:6][H:11])[O:3][C:4]1=[O:5])([H:8])([H:9])[H:10],"InChI=1S/C4H4O3/c1-3(6)4(7)2-5/h2H,1H3","InChI=1S/C4H4O3/c1-4(6-2)3(5)7-4/h2H,1H3/t4-/m0/s1",78.48789000000001,74.09096,
13512,[C:1]([C:2](=[O:3])[C:4](=[O:5])[C:6](=[O:7])[H:11])([H:8])([H:9])[H:10],[C:1](=[C:2]([O:3][C:4](=[O:5])[C:6](=[O:7])[H:11])[H:10])([H:8])[H:9],"InChI=1S/C4H4O3/c1-3(6)4(7)2-5/h2H,1H3","InChI=1S/C4H4O3/c1-2-7-4(6)3-5/h2-3H,1H2",64.57852,5.75663,
13513,[C:1]([C:2](=[O:3])[C:4](=[O:5])[C:6](=[O:7])[H:11])([H:8])([H:9])[H:10],[C-:4]#[O+:5].[C-:6]#[O+:7].[C:1]([C:2](=[O:3])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H4O3/c1-3(6)4(7)2-5/h2H,1H3","InChI=1S/C2H4O.2CO/c1-2-3;2*1-2/h2H,1H3;;",43.64382,-4.16351,
13514,[C:1]([C:2](=[O:3])[C:4](=[O:5])[C:6](=[O:7])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([O:3][H:11])=[C:4]([O-:5])[C:6]#[O+:7])([H:8])([H:9])[H:10],"InChI=1S/C4H4O3/c1-3(6)4(7)2-5/h2H,1H3","InChI=1S/C4H4O3/c1-3(6)4(7)2-5/h1H3,(H-,6,7)",36.37894,8.71575,
13515,[C:1]([C:2](=[O:3])[C:4](=[O:5])[C:6](=[O:7])[H:11])([H:8])([H:9])[H:10],[C:1]([O+:7]=[C:6]([C:4](=[C:2]=[O:3])[O-:5])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H4O3/c1-3(6)4(7)2-5/h2H,1H3","InChI=1S/C4H4O3/c1-7-3-4(6)2-5/h3H,1H3",74.97793,34.93804,
13516,[C:1]([C:2](=[O:3])[C:4](=[O:5])[C:6](=[O:7])[H:11])([H:8])([H:9])[H:10],[C:1]([C:4](=[C:2]=[O+:3][O-:5])[C:6](=[O:7])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H4O3/c1-3(6)4(7)2-5/h2H,1H3","InChI=1S/C4H4O3/c1-4(2-5)3-7-6/h2H,1H3",157.42446,113.88251000000001,
13517,[C:1]([C:2](=[O:3])[C:4](=[O:5])[C:6](=[O:7])[H:11])([H:8])([H:9])[H:10],[C-:4]#[O+:5].[C:1]([C:2](=[O:3])[O+:7]=[C-:6][H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H4O3/c1-3(6)4(7)2-5/h2H,1H3","InChI=1S/C3H4O2.CO/c1-3(4)5-2;1-2/h2H,1H3;",54.68343,51.844120000000004,
13518,[C:1]([C:2]#[C:3][C:4]([N:5]1[C:6]([H:13])([H:14])[C:7]1([H:15])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3])[C:4]([N:5]1[C:6]([H:13])([H:14])[C:7]1([H:15])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-2-3-4-7-5-6-7/h4-6H2,1H3","InChI=1S/C6H9N/c1-6(2)5-7-3-4-7/h3-5H2,1H3",54.0761,51.5376,
13519,[C:1]([C:2]#[C:3][C:4]([N:5]1[C:6]([H:13])([H:14])[C:7]1([H:15])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](=[C:2]=[C:3]([C:4]([N:5]1[C:6]([H:13])([H:14])[C:7]1([H:15])[H:16])([H:11])[H:12])[H:9])([H:8])[H:10],"InChI=1S/C6H9N/c1-2-3-4-7-5-6-7/h4-6H2,1H3","InChI=1S/C6H9N/c1-2-3-4-7-5-6-7/h3H,1,4-6H2",72.1543,-1.27998,
13520,[C:1]([C:2]#[C:3][C:4]([N:5]1[C:6]([H:13])([H:14])[C:7]1([H:15])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:3]([C:4]([N:5]=[C:6]([H:13])[H:14])([H:11])[H:12])[C:7]1([H:15])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-2-3-4-7-5-6-7/h4-6H2,1H3","InChI=1S/C6H9N/c1-5-3-6(5)4-7-2/h2-4H2,1H3",57.83721,-3.07197,
13521,[C:1]([C:2]#[C:3][C:4]([N:5]1[C:6]([H:13])([H:14])[C:7]1([H:15])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]#[C:3][C:4]([N+:5]1([H:13])[C-:6]([H:14])[C:7]1([H:15])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-2-3-4-7-5-6-7/h4-6H2,1H3","InChI=1S/C6H9N/c1-2-3-4-7-5-6-7/h5,7H,4,6H2,1H3",63.634859999999996,51.837959999999995,
13522,[C:1]([C:2]#[C:3][C:4]([N:5]1[C:6]([H:13])([H:14])[C:7]1([H:15])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]#[C:3][C:4]([N+:5]([C-:6]([H:13])[H:14])=[C:7]([H:15])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-2-3-4-7-5-6-7/h4-6H2,1H3","InChI=1S/C6H9N/c1-4-5-6-7(2)3/h2-3,6H2,1H3",38.05655,19.94725,
13523,[C:1]([C:2]#[C:3][C:4]([N:5]1[C:6]([H:13])([H:14])[C:7]1([H:15])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]=[C:4]([H:11])[H:12])[H:16])([H:8])([H:9])[H:10].[N:5]1=[C:7]([H:15])[C:6]1([H:13])[H:14],"InChI=1S/C6H9N/c1-2-3-4-7-5-6-7/h4-6H2,1H3","InChI=1S/C4H6.C2H3N/c1-3-4-2;1-2-3-1/h4H,1H2,2H3;1H,2H2",37.91977,18.2806,Retroene
13524,[C:1]([C:2]#[C:3][C:4]([N:5]1[C:6]([H:13])([H:14])[C:7]1([H:15])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C+:2]=[C:3]1[C:4]([H:11])([H:12])[N-:5]1)([H:8])([H:9])[H:10].[C:6](=[C:7]([H:15])[H:16])([H:13])[H:14],"InChI=1S/C6H9N/c1-2-3-4-7-5-6-7/h4-6H2,1H3","InChI=1S/C4H5N.C2H4/c1-2-4-3-5-4;1-2/h3H2,1H3;1-2H2",69.4842,53.09958,
13525,[C:1]([C:2]#[C:3][C:4]([N:5]1[C:6]([H:13])([H:14])[C:7]1([H:15])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]/[C:3](=[C:4](\[N:5]1[C:6]([H:13])([H:14])[C:7]1([H:15])[H:16])[H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-2-3-4-7-5-6-7/h4-6H2,1H3","InChI=1S/C6H9N/c1-2-3-4-7-5-6-7/h3-4H,5-6H2,1H3/b4-3-",61.20287,41.56536,
13526,[C:1]([C:2]#[C:3][C:4]([N:5]1[C:6]([H:13])([H:14])[C:7]1([H:15])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]#[C:3][C-:4]([N+:5]1=[C:6]([H:14])[C:7]1([H:15])[H:16])[H:11])([H:8])([H:9])[H:10].[H:12][H:13],"InChI=1S/C6H9N/c1-2-3-4-7-5-6-7/h4-6H2,1H3","InChI=1S/C6H7N.H2/c1-2-3-4-7-5-6-7;/h4-5H,6H2,1H3;1H",61.0915,54.10645,
13527,[C:1]([C:2]#[C:3][C:4]([N:5]1[C:6]([H:13])([H:14])[C:7]1([H:15])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:3]([H:12])[C@:4]1([N:5]1[C:6]([H:13])([H:14])[C:7]1([H:15])[H:16])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-2-3-4-7-5-6-7/h4-6H2,1H3","InChI=1S/C6H9N/c1-5-4-6(5)7-2-3-7/h4,6H,2-3H2,1H3/t6-/m1/s1",53.938109999999995,12.46563,
13528,[C:1]([C:2]#[C:3][C:4]([N:5]1[C:6]([H:13])([H:14])[C:7]1([H:15])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:3]2[C:4]([H:11])([H:12])[N:5]12)([H:8])([H:9])[H:10].[C:6](=[C:7]([H:15])[H:16])([H:13])[H:14],"InChI=1S/C6H9N/c1-2-3-4-7-5-6-7/h4-6H2,1H3","InChI=1S/C4H5N.C2H4/c1-3-4-2-5(3)4;1-2/h2H2,1H3;1-2H2",67.50012,51.3223,
13529,[C:1]([C:2]#[C:3][C:4]([N:5]1[C:6]([H:13])([H:14])[C:7]1([H:15])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]=[C:4]([N:5]1[C:6]([H:13])([H:14])[C:7]1([H:15])[H:16])[H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-2-3-4-7-5-6-7/h4-6H2,1H3","InChI=1S/C6H9N/c1-2-3-4-7-5-6-7/h2,4H,5-6H2,1H3",65.70895,-5.6569400000000005,
13530,[C:1]([C:2]#[C:3][C:4]([N:5]1[C:6]([H:13])([H:14])[C:7]1([H:15])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C+:1]([C:2](=[C-:3][C:4]([N:5]1[C:6]([H:13])([H:14])[C:7]1([H:15])[H:16])([H:11])[H:12])[H:9])([H:8])[H:10],"InChI=1S/C6H9N/c1-2-3-4-7-5-6-7/h4-6H2,1H3","InChI=1S/C6H9N/c1-2-3-4-7-5-6-7/h2H,1,4-6H2",71.1708,58.11329,
13531,[C:1]([C@@:2]([O:3][H:12])([C:4](=[O:5])[C:6]#[C:7][H:13])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[O:3][C@:4]1([O:5][H:12])[C:6]#[C:7][H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H6O2/c1-3-5(7)4(2)6/h1,4,6H,2H3/t4-/m1/s1","InChI=1S/C5H6O2/c1-3-5(6)4(2)7-5/h1,4,6H,2H3/t4-,5-/m1/s1",45.34272,21.71107,
13532,[C:1]([C@@:2]([O:3][H:12])([C:4](=[O:5])[C:6]#[C:7][H:13])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2](=[O:3])[C@@:4]([O:5][H:12])([C:6]#[C:7][H:13])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H6O2/c1-3-5(7)4(2)6/h1,4,6H,2H3/t4-/m1/s1","InChI=1S/C5H6O2/c1-3-5(7)4(2)6/h1,5,7H,2H3/t5-/m0/s1",34.374320000000004,0.67374,
13533,[C:1]([C@@:2]([O:3][H:12])([C:4](=[O:5])[C:6]#[C:7][H:13])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([O:3][H:12])=[C:4]([O-:5])[C:6](=[C+:7][H:13])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H6O2/c1-3-5(7)4(2)6/h1,4,6H,2H3/t4-/m1/s1","InChI=1S/C5H6O2/c1-3-5(7)4(2)6/h1,3H,2H3,(H-,6,7)",50.70805,44.597190000000005,
13534,[C:1]([C@@:2]([O:3][H:12])([C:4](=[O:5])[C:6]#[C:7][H:13])[H:11])([H:8])([H:9])[H:10],[C:1](=[C:2]([O:3][H:12])[H:11])([H:8])[H:10].[C:4](=[O:5])=[C:6]=[C:7]([H:9])[H:13],"InChI=1S/C5H6O2/c1-3-5(7)4(2)6/h1,4,6H,2H3/t4-/m1/s1","InChI=1S/C3H2O.C2H4O/c1-2-3-4;1-2-3/h1H2;2-3H,1H2",37.49825,20.238310000000002,Retroene
13535,[C:1]([C@@:2]([O:3][H:12])([C:4](=[O:5])[C:6]#[C:7][H:13])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2](=[O:3])[H:11])([H:8])([H:9])[H:10].[C:4](=[O:5])=[C:6]=[C:7]([H:12])[H:13],"InChI=1S/C5H6O2/c1-3-5(7)4(2)6/h1,4,6H,2H3/t4-/m1/s1","InChI=1S/C3H2O.C2H4O/c1-2-3-4;1-2-3/h1H2;2H,1H3",24.11463,10.935080000000001,Retroene
13536,[C:1]([C@@:2]([O:3][H:12])([C:4](=[O:5])[C:6]#[C:7][H:13])[H:11])([H:8])([H:9])[H:10],[C:1](=[C:2]([O:3][H:12])[C:4](=[O:5])[C:6](=[C:7]([H:11])[H:13])[H:9])([H:8])[H:10],"InChI=1S/C5H6O2/c1-3-5(7)4(2)6/h1,4,6H,2H3/t4-/m1/s1","InChI=1S/C5H6O2/c1-3-5(7)4(2)6/h3,6H,1-2H2",71.87544,-24.90296,
13537,[C:1]([C@@:2]([O:3][H:12])([C:4](=[O:5])[C:6]#[C:7][H:13])[H:11])([H:8])([H:9])[H:10],[C+:2]([O:3][H:12])=[C:4]([O-:5])[C:6]#[C:7][H:13].[C:1]([H:8])([H:9])([H:10])[H:11],"InChI=1S/C5H6O2/c1-3-5(7)4(2)6/h1,4,6H,2H3/t4-/m1/s1","InChI=1S/C4H2O2.CH4/c1-2-4(6)3-5;/h1H,(H-,5,6);1H4",64.19301,63.83631,
13538,[C:1]([C@@:2]([O:3][H:12])([C:4](=[O:5])[C:6]#[C:7][H:13])[H:11])([H:8])([H:9])[H:10],[C:1](/[C:2]([O:3][H:11])=[C:4](/[O:5][H:12])[C:6]#[C:7][H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H6O2/c1-3-5(7)4(2)6/h1,4,6H,2H3/t4-/m1/s1","InChI=1S/C5H6O2/c1-3-5(7)4(2)6/h1,6-7H,2H3/b5-4-",58.52036999999999,1.77675,ketoenol
13539,[C:1]([C@@:2]([O:3][H:12])([C:4](=[O:5])[C:6]#[C:7][H:13])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]([O:3][H:12])([C:4]#[C:6][C:7](=[O:5])[H:13])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H6O2/c1-3-5(7)4(2)6/h1,4,6H,2H3/t4-/m1/s1","InChI=1S/C5H6O2/c1-5(7)3-2-4-6/h4-5,7H,1H3/t5-/m1/s1",72.50943000000001,4.22346,
13540,[C:1]([C@@:2]([O:3][H:12])([C:4](=[O:5])[C:6]#[C:7][H:13])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[O:3][C:6](=[C:7]([H:12])[H:13])[C:4]1=[O:5])([H:8])([H:9])[H:10],"InChI=1S/C5H6O2/c1-3-5(7)4(2)6/h1,4,6H,2H3/t4-/m1/s1","InChI=1S/C5H6O2/c1-3-5(6)4(2)7-3/h4H,1H2,2H3/t4-/m1/s1",60.012480000000004,-12.89913,
13541,[C:1]([C@@:2]([O:3][H:12])([C:4](=[O:5])[C:6]#[C:7][H:13])[H:11])([H:8])([H:9])[H:10],[C:1]([C@:2]1([H:11])[C:4](=[O:5])/[C:6]1=[C:7](/[O:3][H:12])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H6O2/c1-3-5(7)4(2)6/h1,4,6H,2H3/t4-/m1/s1","InChI=1S/C5H6O2/c1-3-4(2-6)5(3)7/h2-3,6H,1H3/b4-2+/t3-/m0/s1",57.698930000000004,1.43061,
13542,[C:1]([C@@:2]([O:3][H:12])([C:4](=[O:5])[C:6]#[C:7][H:13])[H:11])([H:8])([H:9])[H:10],[C:1]1([H:8])([H:10])[C@:2]([O:3][H:12])([H:11])[C@:4]1([O:5][H:9])[C:6]#[C:7][H:13],"InChI=1S/C5H6O2/c1-3-5(7)4(2)6/h1,4,6H,2H3/t4-/m1/s1","InChI=1S/C5H6O2/c1-2-5(7)3-4(5)6/h1,4,6-7H,3H2/t4-,5+/m1/s1",89.17676999999999,22.389020000000002,
13543,[C:1]([C@@:2]([O:3][H:12])([C:4](=[O:5])[C:6]#[C:7][H:13])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[O:3][C:7]([H:13])=[C:6]([H:12])[C:4]1=[O:5])([H:8])([H:9])[H:10],"InChI=1S/C5H6O2/c1-3-5(7)4(2)6/h1,4,6H,2H3/t4-/m1/s1","InChI=1S/C5H6O2/c1-4-5(6)2-3-7-4/h2-4H,1H3/t4-/m1/s1",58.59721,-35.47707,
13544,[C:1]([C@@:2]([O:3][H:12])([C:4](=[O:5])[C:6]#[C:7][H:13])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]([O:3][H:12])([C:4](=[C:6])[C:7](=[O:5])[H:13])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H6O2/c1-3-5(7)4(2)6/h1,4,6H,2H3/t4-/m1/s1","InChI=1S/C5H6O2/c1-4(3-6)5(2)7/h3,5,7H,2H3/t5-/m1/s1",73.8038,47.98108,
13545,[C:1]([C@@:2]([O:3][H:12])([C:4](=[O:5])[C:6]#[C:7][H:13])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:4]([C:2](=[O:3])[H:11])([O:5][H:12])[C:6]#[C:7][H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H6O2/c1-3-5(7)4(2)6/h1,4,6H,2H3/t4-/m1/s1","InChI=1S/C5H6O2/c1-3-5(2,7)4-6/h1,4,7H,2H3/t5-/m1/s1",39.27189,4.9968699999999995,
13546,[C:1]([C@@:2]([O:3][H:12])([C:4](=[O:5])[C:6]#[C:7][H:13])[H:11])([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:4]1\[O:5][C:7]([H:13])=[C:6]1[O:3][H:12])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H6O2/c1-3-5(7)4(2)6/h1,4,6H,2H3/t4-/m1/s1","InChI=1S/C5H6O2/c1-2-5-4(6)3-7-5/h2-3,6H,1H3/b5-2-",67.15987,13.29166,
13547,[C:1]([C@@:2]([O:3][H:12])([C:4](=[O:5])[C:6]#[C:7][H:13])[H:11])([H:8])([H:9])[H:10],[C:1](=[C:2]([C:4](=[O:5])[C:6]#[C:7][H:13])[H:11])([H:8])[H:10].[O:3]([H:9])[H:12],"InChI=1S/C5H6O2/c1-3-5(7)4(2)6/h1,4,6H,2H3/t4-/m1/s1","InChI=1S/C5H4O.H2O/c1-3-5(6)4-2;/h1,4H,2H2;1H2",61.40857,14.31091,"1,3_Insertion_ROR"
13548,[C:1]([C@@:2]([O:3][H:12])([C:4](=[O:5])[C:6]#[C:7][H:13])[H:11])([H:8])([H:9])[H:10],[C:1](=[C:2]([O:3][H:12])[C:4]([O:5][H:9])=[C:6]=[C:7]([H:11])[H:13])([H:8])[H:10],"InChI=1S/C5H6O2/c1-3-5(7)4(2)6/h1,4,6H,2H3/t4-/m1/s1","InChI=1S/C5H6O2/c1-3-5(7)4(2)6/h6-7H,1-2H2",94.54415999999999,1.1007200000000001,
13549,[C:1]([C@@:2]([O:3][H:12])([C:4](=[O:5])[C:6]#[C:7][H:13])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]([O:3][H:12])([C-:4]=[O+:5][C:6]#[C:7][H:13])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H6O2/c1-3-5(7)4(2)6/h1,4,6H,2H3/t4-/m1/s1","InChI=1S/C5H6O2/c1-3-7-4-5(2)6/h1,5-6H,2H3/t5-/m1/s1",97.95801999999999,82.94594000000001,
13550,[C:1]([C@@:2]([O:3][H:12])([C:4](=[O:5])[C:6]#[C:7][H:13])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:4]=[O:5])[H:11])([H:8])([H:9])[H:10].[O:3]([C:6]#[C:7][H:13])[H:12],"InChI=1S/C5H6O2/c1-3-5(7)4(2)6/h1,4,6H,2H3/t4-/m1/s1","InChI=1S/C3H4O.C2H2O/c1-2-3-4;1-2-3/h2H,1H3;1,3H",63.95778000000001,29.75905,
13551,[C:1]([C@@:2]([O:3][H:12])([C:4](=[O:5])[C:6]#[C:7][H:13])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]([O:3][H:12])([C:4](=[O:5])[C:6](=[C:7])[H:13])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H6O2/c1-3-5(7)4(2)6/h1,4,6H,2H3/t4-/m1/s1","InChI=1S/C5H6O2/c1-3-5(7)4(2)6/h3-4,6H,2H3/t4-/m1/s1",44.34205,49.8473,Singlet_Carbene_Intra_Disproportionation
13552,[O:1]([C:2]([C@@:3]1([C:6](=[O:7])[H:14])[C:4]([H:11])([H:12])[N:5]1[H:13])([H:9])[H:10])[H:8],[O:1]([C:2]([C:3][N:5]([C:4]([C:6](=[O:7])[H:14])([H:11])[H:12])[H:13])([H:9])[H:10])[H:8],"InChI=1S/C4H7NO2/c6-2-4(3-7)1-5-4/h2,5,7H,1,3H2/t4-/m0/s1","InChI=1S/C4H7NO2/c6-3-1-5-2-4-7/h3,5,7H,1,4H2",69.60829,38.18813,
13553,[O:1]([C:2]([C@@:3]1([C:6](=[O:7])[H:14])[C:4]([H:11])([H:12])[N:5]1[H:13])([H:9])[H:10])[H:8],[O:1]([C:2]([C:4]([N:5]([C+:3]=[C:6]([O-:7])[H:14])[H:13])([H:11])[H:12])([H:9])[H:10])[H:8],"InChI=1S/C4H7NO2/c6-2-4(3-7)1-5-4/h2,5,7H,1,3H2/t4-/m0/s1","InChI=1S/C4H7NO2/c6-3-1-5-2-4-7/h4-6H,1,3H2",90.58579,22.56127,
13554,[O:1]([C:2]([C@@:3]1([C:6](=[O:7])[H:14])[C:4]([H:11])([H:12])[N:5]1[H:13])([H:9])[H:10])[H:8],[O:1]([C:2](/[C:3]([C:4]([C:6](=[O:7])[H:14])([H:11])[H:12])=[N:5]/[H:13])([H:9])[H:10])[H:8],"InChI=1S/C4H7NO2/c6-2-4(3-7)1-5-4/h2,5,7H,1,3H2/t4-/m0/s1","InChI=1S/C4H7NO2/c5-4(3-7)1-2-6/h2,5,7H,1,3H2/b5-4+",68.07181,-17.00619,
13555,[O:1]([C:2]([C@@:3]1([C:6](=[O:7])[H:14])[C:4]([H:11])([H:12])[N:5]1[H:13])([H:9])[H:10])[H:8],[C-:6]#[O+:7].[O:1]([C:2]([C:3](=[C:4]([H:11])[H:12])[N:5]([H:13])[H:14])([H:9])[H:10])[H:8],"InChI=1S/C4H7NO2/c6-2-4(3-7)1-5-4/h2,5,7H,1,3H2/t4-/m0/s1","InChI=1S/C3H7NO.CO/c1-3(4)2-5;1-2/h5H,1-2,4H2;",66.01697,-12.01817,
13556,[O:1]([C:2]([C@@:3]1([C:6](=[O:7])[H:14])[C:4]([H:11])([H:12])[N:5]1[H:13])([H:9])[H:10])[H:8],[C:4](=[N:5][H:13])([H:11])[H:12].[O:1]([C:2]([C:3](=[C:6]=[O:7])[H:14])([H:9])[H:10])[H:8],"InChI=1S/C4H7NO2/c6-2-4(3-7)1-5-4/h2,5,7H,1,3H2/t4-/m0/s1","InChI=1S/C3H4O2.CH3N/c4-2-1-3-5;1-2/h1,4H,2H2;2H,1H2",62.3623,10.92399,
13557,[O:1]([C:2]([C@@:3]1([C:6](=[O:7])[H:14])[C:4]([H:11])([H:12])[N:5]1[H:13])([H:9])[H:10])[H:8],[O:1]1[C:2]([H:9])([H:10])[C@:3]2([C:4]([H:11])([H:12])[N:5]2[H:13])[C@:6]1([O:7][H:8])[H:14],"InChI=1S/C4H7NO2/c6-2-4(3-7)1-5-4/h2,5,7H,1,3H2/t4-/m0/s1","InChI=1S/C4H7NO2/c6-3-4(1-5-4)2-7-3/h3,5-6H,1-2H2/t3-,4+/m0/s1",51.99654,17.96432,
13558,[O:1]([C:2]([C@@:3]1([C:6](=[O:7])[H:14])[C:4]([H:11])([H:12])[N:5]1[H:13])([H:9])[H:10])[H:8],[O:1]([C:2]([O:7]/[C:6](=[C:3]1/[C:4]([H:11])([H:12])[N:5]1[H:13])[H:14])([H:9])[H:10])[H:8],"InChI=1S/C4H7NO2/c6-2-4(3-7)1-5-4/h2,5,7H,1,3H2/t4-/m0/s1","InChI=1S/C4H7NO2/c6-3-7-2-4-1-5-4/h2,5-6H,1,3H2/b4-2-",42.25737,27.63235,ketoenol
13559,[O:1]([C:2]([C@@:3]1([C:6](=[O:7])[H:14])[C:4]([H:11])([H:12])[N:5]1[H:13])([H:9])[H:10])[H:8],[C:3]1(=[C:6](/[O:7][H:8])[H:14])\[C:4]([H:11])([H:12])[N:5]1[H:13].[O:1]=[C:2]([H:9])[H:10],"InChI=1S/C4H7NO2/c6-2-4(3-7)1-5-4/h2,5,7H,1,3H2/t4-/m0/s1","InChI=1S/C3H5NO.CH2O/c5-2-3-1-4-3;1-2/h2,4-5H,1H2;1H2/b3-2-;",39.73591,38.99822,Retroene
13560,[O:1]([C:2]([C@@:3]1([C:6](=[O:7])[H:14])[C:4]([H:11])([H:12])[N:5]1[H:13])([H:9])[H:10])[H:8],[O:1]([C:2]([C@@:3]([N:5]([C:4][H:11])[H:13])([C:6](=[O:7])[H:14])[H:12])([H:9])[H:10])[H:8],"InChI=1S/C4H7NO2/c6-2-4(3-7)1-5-4/h2,5,7H,1,3H2/t4-/m0/s1","InChI=1S/C4H7NO2/c1-5-4(2-6)3-7/h1-2,4-5,7H,3H2/t4-/m0/s1",74.54306,38.8524,
13561,[O:1]([C:2]([C@@:3]1([C:6](=[O:7])[H:14])[C:4]([H:11])([H:12])[N:5]1[H:13])([H:9])[H:10])[H:8],[O:1]([C:2](/[C:3](=[N:5]\[C:4]([H:11])([H:12])[H:13])[C:6](=[O:7])[H:14])([H:9])[H:10])[H:8],"InChI=1S/C4H7NO2/c6-2-4(3-7)1-5-4/h2,5,7H,1,3H2/t4-/m0/s1","InChI=1S/C4H7NO2/c1-5-4(2-6)3-7/h2,7H,3H2,1H3/b5-4-",63.1475,-6.78625,
13562,[O:1]([C:2]([C@@:3]1([C:6](=[O:7])[H:14])[C:4]([H:11])([H:12])[N:5]1[H:13])([H:9])[H:10])[H:8],[O:1]([C:2]([C:3](=[C:4]([H:11])[H:12])[N:5]([C:6](=[O:7])[H:14])[H:13])([H:9])[H:10])[H:8],"InChI=1S/C4H7NO2/c6-2-4(3-7)1-5-4/h2,5,7H,1,3H2/t4-/m0/s1","InChI=1S/C4H7NO2/c1-4(2-6)5-3-7/h3,6H,1-2H2,(H,5,7)",63.46376,-21.25486,
13563,[O:1]([C:2]([C@@:3]1([C:6](=[O:7])[H:14])[C:4]([H:11])([H:12])[N:5]1[H:13])([H:9])[H:10])[H:8],[O:1]([C:2]([N+:5]1([H:13])[C:3](=[C:6]([O-:7])[H:14])[C:4]1([H:11])[H:12])([H:9])[H:10])[H:8],"InChI=1S/C4H7NO2/c6-2-4(3-7)1-5-4/h2,5,7H,1,3H2/t4-/m0/s1","InChI=1S/C4H7NO2/c6-2-4-1-5(4)3-7/h2,6-7H,1,3H2",80.70425999999999,40.51415,
13564,[O:1]([C:2]([C@@:3]1([C:6](=[O:7])[H:14])[C:4]([H:11])([H:12])[N:5]1[H:13])([H:9])[H:10])[H:8],[O:1]([C@@:3]1([C@:6]2([H:14])[C:2]([H:9])([H:10])[O:7]2)[C:4]([H:11])([H:12])[N:5]1[H:13])[H:8],"InChI=1S/C4H7NO2/c6-2-4(3-7)1-5-4/h2,5,7H,1,3H2/t4-/m0/s1","InChI=1S/C4H7NO2/c6-4(2-5-4)3-1-7-3/h3,5-6H,1-2H2/t3-,4+/m0/s1",80.48161999999999,22.30363,
13565,[O:1]([C:2]([C@@:3]1([C:6](=[O:7])[H:14])[C:4]([H:11])([H:12])[N:5]1[H:13])([H:9])[H:10])[H:8],[O:1]([C:2]([C:3]([N:5]([C+:4]([H:11])[H:12])[H:13])=[C:6]([O-:7])[H:14])([H:9])[H:10])[H:8],"InChI=1S/C4H7NO2/c6-2-4(3-7)1-5-4/h2,5,7H,1,3H2/t4-/m0/s1","InChI=1S/C4H7NO2/c1-5-4(2-6)3-7/h2,5,7H,1,3H2",33.8952,5.951980000000001,
13566,[O:1]([C:2]([C@@:3]1([C:6](=[O:7])[H:14])[C:4]([H:11])([H:12])[N:5]1[H:13])([H:9])[H:10])[H:8],[O:1]([C:2]([C:3][C:4]([N:5]([C:6](=[O:7])[H:14])[H:13])([H:11])[H:12])([H:9])[H:10])[H:8],"InChI=1S/C4H7NO2/c6-2-4(3-7)1-5-4/h2,5,7H,1,3H2/t4-/m0/s1","InChI=1S/C4H7NO2/c6-3-1-2-5-4-7/h4,6H,2-3H2,(H,5,7)",72.05077,54.31661999999999,
13567,[O:1]([C:2]([C@@:3]1([C:6](=[O:7])[H:14])[C:4]([H:11])([H:12])[N:5]1[H:13])([H:9])[H:10])[H:8],[O:1]([C:2]([C:3]1=[C:6]([H:14])[O:7][N:5]([H:13])[C:4]1([H:11])[H:12])([H:9])[H:10])[H:8],"InChI=1S/C4H7NO2/c6-2-4(3-7)1-5-4/h2,5,7H,1,3H2/t4-/m0/s1","InChI=1S/C4H7NO2/c6-2-4-1-5-7-3-4/h3,5-6H,1-2H2",51.269890000000004,28.753559999999997,ketoenol
13568,[O:1]([C:2]([C@@:3]1([C:6](=[O:7])[H:14])[C:4]([H:11])([H:12])[N:5]1[H:13])([H:9])[H:10])[H:8],[H:11][H:14].[O:1]([C:2]([C@@:3]1([C:6]#[O+:7])[C-:4]([H:12])[N:5]1[H:13])([H:9])[H:10])[H:8],"InChI=1S/C4H7NO2/c6-2-4(3-7)1-5-4/h2,5,7H,1,3H2/t4-/m0/s1","InChI=1S/C4H5NO2.H2/c6-2-4(3-7)1-5-4;/h1,5-6H,2H2;1H/t4-;/m1./s1",110.41833999999999,74.28133000000001,
13569,[O:1]([C:2]([C@@:3]1([C:6](=[O:7])[H:14])[C:4]([H:11])([H:12])[N:5]1[H:13])([H:9])[H:10])[H:8],[O:1]([C:2]([C:3]1([C:6]([O:7][H:13])([H:12])[H:14])[C:4]([H:11])=[N:5]1)([H:9])[H:10])[H:8],"InChI=1S/C4H7NO2/c6-2-4(3-7)1-5-4/h2,5,7H,1,3H2/t4-/m0/s1","InChI=1S/C4H7NO2/c6-2-4(3-7)1-5-4/h1,6-7H,2-3H2",72.57248,20.88097,
13570,[O:1]([C:2]([C@@:3]1([C:6](=[O:7])[H:14])[C:4]([H:11])([H:12])[N:5]1[H:13])([H:9])[H:10])[H:8],[H:10][H:11].[O:1]([C+:2]([C@@:3]1([C:6](=[O:7])[H:14])[C-:4]([H:12])[N:5]1[H:13])[H:9])[H:8],"InChI=1S/C4H7NO2/c6-2-4(3-7)1-5-4/h2,5,7H,1,3H2/t4-/m0/s1","InChI=1S/C4H5NO2.H2/c6-2-4(3-7)1-5-4;/h1-3,5-6H;1H/t4-;/m1./s1",79.51536,86.00151,
13571,[O:1]([C:2]([C@@:3]1([C:6](=[O:7])[H:14])[C:4]([H:11])([H:12])[N:5]1[H:13])([H:9])[H:10])[H:8],[C-:6]#[O+:7].[O:1]([C:2](/[C:3]([C:4]([H:11])([H:12])[H:14])=[N:5]/[H:13])([H:9])[H:10])[H:8],"InChI=1S/C4H7NO2/c6-2-4(3-7)1-5-4/h2,5,7H,1,3H2/t4-/m0/s1","InChI=1S/C3H7NO.CO/c1-3(4)2-5;1-2/h4-5H,2H2,1H3;/b4-3+;",65.80868000000001,-15.68716,
13572,[O:1]([C:2]([C@@:3]1([C:6](=[O:7])[H:14])[C:4]([H:11])([H:12])[N:5]1[H:13])([H:9])[H:10])[H:8],[O:1]([C:2]([C:3]([C:4]([N:5]([H:13])[H:14])([H:11])[H:12])=[C:6]=[O:7])([H:9])[H:10])[H:8],"InChI=1S/C4H7NO2/c6-2-4(3-7)1-5-4/h2,5,7H,1,3H2/t4-/m0/s1","InChI=1S/C4H7NO2/c5-1-4(2-6)3-7/h6H,1-2,5H2",92.45855999999999,-12.0255,
13573,[O:1]([C:2]([C@@:3]1([C:6](=[O:7])[H:14])[C:4]([H:11])([H:12])[N:5]1[H:13])([H:9])[H:10])[H:8],[C:3]1(=[C:6]=[O:7])[C:4]([H:11])([H:12])[N:5]1[H:13].[O:1]([C:2]([H:9])([H:10])[H:14])[H:8],"InChI=1S/C4H7NO2/c6-2-4(3-7)1-5-4/h2,5,7H,1,3H2/t4-/m0/s1","InChI=1S/C3H3NO.CH4O/c5-2-3-1-4-3;1-2/h4H,1H2;2H,1H3",73.03358,42.29149,
13574,[O:1]([C:2]([C@@:3]1([C:6](=[O:7])[H:14])[C:4]([H:11])([H:12])[N:5]1[H:13])([H:9])[H:10])[H:8],[C:2](=[C:3]1[C:4]([H:11])([H:12])[N:5]1[H:13])([H:9])[H:10].[O:1]([C:6](=[O:7])[H:14])[H:8],"InChI=1S/C4H7NO2/c6-2-4(3-7)1-5-4/h2,5,7H,1,3H2/t4-/m0/s1","InChI=1S/C3H5N.CH2O2/c1-3-2-4-3;2-1-3/h4H,1-2H2;1H,(H,2,3)",58.31709,11.319410000000001,
13575,[O:1]([C:2]([C@@:3]1([C:6](=[O:7])[H:14])[C:4]([H:11])([H:12])[N:5]1[H:13])([H:9])[H:10])[H:8],[O:1]([C:2]([C@@:3]1([C:6](=[O:7])[H:14])[C-:4]([H:11])[N+:5]1([H:12])[H:13])([H:9])[H:10])[H:8],"InChI=1S/C4H7NO2/c6-2-4(3-7)1-5-4/h2,5,7H,1,3H2/t4-/m0/s1","InChI=1S/C4H7NO2/c6-2-4(3-7)1-5-4/h1-2,7H,3,5H2/t4-/m0/s1",73.81819,56.975590000000004,
13576,[O:1]([C:2]([C@@:3]1([C:6](=[O:7])[H:14])[C:4]([H:11])([H:12])[N:5]1[H:13])([H:9])[H:10])[H:8],[C:4](=[N:5][H:13])([H:11])[H:12].[O:1]([C:2]([C+:3]=[C:6]([O-:7])[H:14])([H:9])[H:10])[H:8],"InChI=1S/C4H7NO2/c6-2-4(3-7)1-5-4/h2,5,7H,1,3H2/t4-/m0/s1","InChI=1S/C3H4O2.CH3N/c4-2-1-3-5;1-2/h2,5H,3H2;2H,1H2",64.99299,76.31465,
13577,[O:1]([C:2]([C@@:3]1([C:6](=[O:7])[H:14])[C:4]([H:11])([H:12])[N:5]1[H:13])([H:9])[H:10])[H:8],[O:1]([C:2]([C@@:3]1([C:6][O:7][H:14])[C:4]([H:11])([H:12])[N:5]1[H:13])([H:9])[H:10])[H:8],"InChI=1S/C4H7NO2/c6-2-4(3-7)1-5-4/h2,5,7H,1,3H2/t4-/m0/s1","InChI=1S/C4H7NO2/c6-2-4(3-7)1-5-4/h5-7H,1-2H2/t4-/m1/s1",79.0928,54.150830000000006,
13578,[O:1]([C:2]([C@@:3]1([C:6](=[O:7])[H:14])[C:4]([H:11])([H:12])[N:5]1[H:13])([H:9])[H:10])[H:8],[C@@:3]1([C:6](=[O:7])[H:14])([H:10])[C:4]([H:11])([H:12])[N:5]1[H:13].[O:1]([C:2][H:9])[H:8],"InChI=1S/C4H7NO2/c6-2-4(3-7)1-5-4/h2,5,7H,1,3H2/t4-/m0/s1","InChI=1S/C3H5NO.CH2O/c5-2-3-1-4-3;1-2/h2-4H,1H2;1-2H/t3-;/m0./s1",73.76733,80.69875,
13579,[C:1](#[C:2][c:3]1[c:4]([H:9])[n:5][n:6][n:7]1[H:10])[H:8],[C:1](#[C:2]/[C:3]([C-:4]([N+:5]#[N:6])[H:9])=[N:7]\[H:10])[H:8],"InChI=1S/C4H3N3/c1-2-4-3-5-7-6-4/h1,3H,(H,5,6,7)","InChI=1S/C4H3N3/c1-2-4(5)3-7-6/h1,3,5H/b5-4+",22.81687,9.62925,
13580,[C:1](#[C:2][c:3]1[c:4]([H:9])[n:5][n:6][n:7]1[H:10])[H:8],[C-:1]#[C:2][C:3]1=[N+:7]([H:10])[N:6]=[N:5][C:4]1([H:8])[H:9],"InChI=1S/C4H3N3/c1-2-4-3-5-7-6-4/h1,3H,(H,5,6,7)",InChI=1S/C4H2N3/c1-2-4-3-5-7-6-4/h3H2/q-1/p+1,96.41,58.68011,
13581,[C:1](#[C:2][c:3]1[c:4]([H:9])[n:5][n:6][n:7]1[H:10])[H:8],[C:1](#[C:2][c:3]1[c:4]([H:9])[n:5][n:6]([H:10])[n:7]1)[H:8],"InChI=1S/C4H3N3/c1-2-4-3-5-7-6-4/h1,3H,(H,5,6,7)","InChI=1S/C4H3N3/c1-2-4-3-5-7-6-4/h1,3H,(H,5,6,7)",45.808679999999995,-6.02843,
13582,[C:1](#[C:2][c:3]1[c:4]([H:9])[n:5][n:6][n:7]1[H:10])[H:8],[C:1](=[C:2]=[C:3]1[C:4]([H:9])=[N:5][N:6]=[N:7]1)([H:8])[H:10],"InChI=1S/C4H3N3/c1-2-4-3-5-7-6-4/h1,3H,(H,5,6,7)","InChI=1S/C4H3N3/c1-2-4-3-5-7-6-4/h3H,1H2",63.80904,15.51489,
13583,[C:1](#[C:2][c:3]1[c:4]([H:9])[n:5][n:6][n:7]1[H:10])[H:8],[C:4](#[N:5])[H:9].[c:1]1([H:8])[c:2]#[c:3][n:7]([H:10])[n:6]1,"InChI=1S/C4H3N3/c1-2-4-3-5-7-6-4/h1,3H,(H,5,6,7)","InChI=1S/C3H2N2.CHN/c1-2-4-5-3-1;1-2/h2,5H;1H",135.18636,88.71069,
13584,[C:1](#[C:2][c:3]1[c:4]([H:9])[n:5][n:6][n:7]1[H:10])[H:8],[C:1](#[C:2][C:3]1=[C+:4][N:5]([H:9])[N-:6][N:7]1[H:10])[H:8],"InChI=1S/C4H3N3/c1-2-4-3-5-7-6-4/h1,3H,(H,5,6,7)","InChI=1S/C4H3N3/c1-2-4-3-5-7-6-4/h1,5-6H",82.00981999999999,38.700990000000004,
13585,[C:1](#[C:2][c:3]1[c:4]([H:9])[n:5][n:6][n:7]1[H:10])[H:8],[C:1](#[C:2][C@@:3]1([H:10])[C:4]([H:9])=[N:5][N:6]=[N:7]1)[H:8],"InChI=1S/C4H3N3/c1-2-4-3-5-7-6-4/h1,3H,(H,5,6,7)","InChI=1S/C4H3N3/c1-2-4-3-5-7-6-4/h1,3-4H/t4-/m0/s1",54.966069999999995,33.190529999999995,
13586,[C:1](#[C:2][c:3]1[c:4]([H:9])[n:5][n:6][n:7]1[H:10])[H:8],[C:1](=[C:2])([c:3]1[c:4]([H:9])[n:5][n:6][n:7]1[H:10])[H:8],"InChI=1S/C4H3N3/c1-2-4-3-5-7-6-4/h1,3H,(H,5,6,7)","InChI=1S/C4H3N3/c1-2-4-3-5-7-6-4/h2-3H,(H,5,6,7)",50.327740000000006,54.32982,Singlet_Carbene_Intra_Disproportionation
13587,[C:1](#[C:2][c:3]1[c:4]([H:9])[n:5][n:6][n:7]1[H:10])[H:8],[C:1](=[C:2]=[C:3]1[C:4]#[N+:5][N-:6][N:7]1[H:10])([H:8])[H:9],"InChI=1S/C4H3N3/c1-2-4-3-5-7-6-4/h1,3H,(H,5,6,7)","InChI=1S/C4H3N3/c1-2-4-3-5-7-6-4/h6H,1H2",87.64265999999999,64.24775,
13588,[C:1](#[C:2][c:3]1[c:4]([H:9])[n:5][n:6][n:7]1[H:10])[H:8],[C+:1]#[C:2][C:3]1=[C:4]([H:9])[N:5]([H:8])[N-:6][N:7]1[H:10],"InChI=1S/C4H3N3/c1-2-4-3-5-7-6-4/h1,3H,(H,5,6,7)","InChI=1S/C4H3N3/c1-2-4-3-5-7-6-4/h3,5-6H",144.65579,49.92881,
13589,[C:1](#[C:2][c:3]1[c:4]([H:9])[n:5][n:6][n:7]1[H:10])[H:8],[C:1]1([H:8])=[C+:2][C@:3]12[C:4]([H:9])=[N:5][N-:6][N:7]2[H:10],"InChI=1S/C4H3N3/c1-2-4-3-5-7-6-4/h1,3H,(H,5,6,7)","InChI=1S/C4H3N3/c1-2-4(1)3-5-7-6-4/h1,3,6H/t4-/m0/s1",51.53962,50.44607,
13590,[C:1](#[C:2][c:3]1[c:4]([H:9])[n:5][n:6][n:7]1[H:10])[H:8],[C:1](#[C:2][C:3]1=[N+:6]([N-:7][H:10])[N:5]=[C:4]1[H:9])[H:8],"InChI=1S/C4H3N3/c1-2-4-3-5-7-6-4/h1,3H,(H,5,6,7)","InChI=1S/C4H3N3/c1-2-4-3-6-7(4)5/h1,3,5H",90.49081,73.27566,
13591,[C:1](#[C:2][c:3]1[c:4]([H:9])[n:5][n:6][n:7]1[H:10])[H:8],[C:1](#[C:2][N:7]([C+:3]=[C:4]([N:5]=[N-:6])[H:9])[H:10])[H:8],"InChI=1S/C4H3N3/c1-2-4-3-5-7-6-4/h1,3H,(H,5,6,7)","InChI=1S/C4H3N3/c1-2-6-3-4-7-5/h1,4,6H",79.72214,48.14829,
13592,[C:1](#[C:2][c:3]1[c:4]([H:9])[n:5][n:6][n:7]1[H:10])[H:8],[C+:1]#[C:2][C:3]1=[C:4]([H:9])[N-:5][N:6]([H:8])[N:7]1[H:10],"InChI=1S/C4H3N3/c1-2-4-3-5-7-6-4/h1,3H,(H,5,6,7)","InChI=1S/C4H3N3/c1-2-4-3-5-7-6-4/h3,6-7H",129.59117,54.50504,
13593,[C:1](#[C:2][c:3]1[c:4]([H:9])[n:5][n:6][n:7]1[H:10])[H:8],[C:1]1([H:8])=[C:2]=[C:3]1/[C:4](=[N:5]\[N:6]=[N:7]\[H:10])[H:9],"InChI=1S/C4H3N3/c1-2-4-3-5-7-6-4/h1,3H,(H,5,6,7)","InChI=1S/C4H3N3/c5-7-6-3-4-1-2-4/h1,3,5H/b6-3-,7-5+",83.30271,80.60875,
13594,[C:1]([O:2][C:3]([C:4]([N:5]([C:6](=[O:7])[H:16])[H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C:3](=[C:4]([H:13])[H:14])[H:12])([H:8])([H:9])[H:10].[N:5](=[C:6](/[O:7][H:11])[H:16])\[H:15],"InChI=1S/C4H9NO2/c1-7-3-2-5-4-6/h4H,2-3H2,1H3,(H,5,6)","InChI=1S/C3H6O.CH3NO/c1-3-4-2;2-1-3/h3H,1H2,2H3;1H,(H2,2,3)",54.558840000000004,23.010170000000002,Retroene
13595,[C:1]([O:2][C:3]([C:4]([N:5]([C:6](=[O:7])[H:16])[H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]([C:4]([N:5]([C:6][O:7][H:16])[H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H9NO2/c1-7-3-2-5-4-6/h4H,2-3H2,1H3,(H,5,6)","InChI=1S/C4H9NO2/c1-7-3-2-5-4-6/h5-6H,2-3H2,1H3",73.00140999999999,43.95062,
13596,[C:1]([O:2][C:3]([C:4]([N:5]([C:6](=[O:7])[H:16])[H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C:3](/[C:4](=[N:5]\[H:15])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10].[C:6](=[O:7])([H:14])[H:16],"InChI=1S/C4H9NO2/c1-7-3-2-5-4-6/h4H,2-3H2,1H3,(H,5,6)","InChI=1S/C3H7NO.CH2O/c1-5-3-2-4;1-2/h2,4H,3H2,1H3;1H2/b4-2-;",76.94108,37.89777,
13597,[C:1]([O:2][C:3]([C:4]([N:5]([C:6](=[O:7])[H:16])[H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]([O+:7]=[C:6]([N:5]([C-:4]([H:13])[H:14])[H:15])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H9NO2/c1-7-3-2-5-4-6/h4H,2-3H2,1H3,(H,5,6)","InChI=1S/C4H9NO2/c1-5-3-7-4-6-2/h3,5H,1,4H2,2H3",72.93588000000001,61.23936,
13598,[C:1]([O:2][C:3]([C:4]([N:5]([C:6](=[O:7])[H:16])[H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]([C:4]([N:5]=[C:6]=[O:7])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10].[H:15][H:16],"InChI=1S/C4H9NO2/c1-7-3-2-5-4-6/h4H,2-3H2,1H3,(H,5,6)","InChI=1S/C4H7NO2.H2/c1-7-3-2-5-4-6;/h2-3H2,1H3;1H",73.23392,16.51047,
13599,[C:1]([O:2][C:3]([C:4]([N:5]([C:6](=[O:7])[H:16])[H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]([C:6](=[O:7])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10].[C:4](=[N:5][H:15])([H:13])[H:14],"InChI=1S/C4H9NO2/c1-7-3-2-5-4-6/h4H,2-3H2,1H3,(H,5,6)","InChI=1S/C3H6O2.CH3N/c1-5-3-2-4;1-2/h2H,3H2,1H3;2H,1H2",91.25999,37.76482,
13600,[C:1]([O:2][C:3]([C:4]([N:5]([C:6](=[O:7])[H:16])[H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]([C:4](/[N:5]=[C:6](/[O:7][H:15])[H:16])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H9NO2/c1-7-3-2-5-4-6/h4H,2-3H2,1H3,(H,5,6)","InChI=1S/C4H9NO2/c1-7-3-2-5-4-6/h4H,2-3H2,1H3,(H,5,6)",43.58611,12.05065,ketoenol
13601,[C:1]([O:2][C:3]([C:4]([N:5]([C:6](=[O:7])[H:16])[H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C@@:6]1([H:16])[N:5]([H:15])[C:4]([H:13])([H:14])[C:3]([H:11])([H:12])[O:7]1)([H:8])([H:9])[H:10],"InChI=1S/C4H9NO2/c1-7-3-2-5-4-6/h4H,2-3H2,1H3,(H,5,6)","InChI=1S/C4H9NO2/c1-6-4-5-2-3-7-4/h4-5H,2-3H2,1H3/t4-/m1/s1",74.92896999999999,14.25221,
13602,[C:1]([O:2][C:3]([C:4]([N:5]([C:6](=[O:7])[H:16])[H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C-:6]#[O+:7].[C:1]([O:2][C:3]([C:4]([N:5]([H:15])[H:16])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H9NO2/c1-7-3-2-5-4-6/h4H,2-3H2,1H3,(H,5,6)","InChI=1S/C3H9NO.CO/c1-5-3-2-4;1-2/h2-4H2,1H3;",76.31336,15.36645,"1,2_Insertion_CO"
13603,[C:1]([O:2][C:3]([C:4]([N:5]([C:6](=[O:7])[H:16])[H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]([C:4]([O:7]/[C:6](=[N:5]/[H:15])[H:16])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H9NO2/c1-7-3-2-5-4-6/h4H,2-3H2,1H3,(H,5,6)","InChI=1S/C4H9NO2/c1-6-2-3-7-4-5/h4-5H,2-3H2,1H3/b5-4+",62.68911,17.3918,ketoenol
13604,[C:1]([O:2][C:3]([C:4]([N:5]([C:6](=[O:7])[H:16])[H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C:3](/[C:4](=[N:5]/[C:6](=[O:7])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10].[H:14][H:15],"InChI=1S/C4H9NO2/c1-7-3-2-5-4-6/h4H,2-3H2,1H3,(H,5,6)","InChI=1S/C4H7NO2.H2/c1-7-3-2-5-4-6;/h2,4H,3H2,1H3;1H/b5-2+;",97.76935999999999,38.76895,
13605,[C:1]([O:2][C:3]([C:4]([N:5]([C:6](=[O:7])[H:16])[H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C-:4](=[N+:5]([C:6](=[O:7])[H:16])[H:15])[H:13].[C:1]([O:2][C:3]([H:11])([H:12])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C4H9NO2/c1-7-3-2-5-4-6/h4H,2-3H2,1H3,(H,5,6)",InChI=1S/C2H3NO.C2H6O/c1-3-2-4;1-3-2/h1-3H;1-2H3,91.69281,73.85081,
13606,[C:1]([O:2][C:3]([C:4]([N:5]([C:6](=[O:7])[H:16])[H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][H:15])([H:8])([H:9])[H:10].[C:3]1([H:11])([H:12])[C:4]([H:13])([H:14])[N:5]1[C:6](=[O:7])[H:16],"InChI=1S/C4H9NO2/c1-7-3-2-5-4-6/h4H,2-3H2,1H3,(H,5,6)","InChI=1S/C3H5NO.CH4O/c5-3-4-1-2-4;1-2/h3H,1-2H2;2H,1H3",62.48335,34.46414,
13607,[C:1]([O:2][C:3]([C:4]([N:5]([C:6](=[O:7])[H:16])[H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]([C-:4]([N+:5]([C:6](=[O:7])[H:16])([H:14])[H:15])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H9NO2/c1-7-3-2-5-4-6/h4H,2-3H2,1H3,(H,5,6)","InChI=1S/C4H9NO2/c1-7-3-2-5-4-6/h2,4H,3,5H2,1H3",89.87175,70.82936,
13608,[O:1]1[C@:2]2([H:8])[C@:3]3([H:9])[C@:4]4([H:10])[C@@:5]1([H:11])[C@@:6]2([H:12])[N:7]34,[O:1]1[C@@:2]2([H:8])[C@@:3]3([H:9])[C:4][C@:5]1([H:11])[C@:6]2([H:12])[N:7]3[H:10],"InChI=1S/C5H5NO/c7-4-1-2-5(7)3(4)6(1)2/h1-5H/t1-,2+,3-,4+,5-,6?","InChI=1S/C5H5NO/c1-2-5-4(6-2)3(1)7-5/h2-6H/t2-,3-,4+,5+/m1/s1",51.24449,48.90532,
13609,[O:1]1[C@:2]2([H:8])[C@:3]3([H:9])[C@:4]4([H:10])[C@@:5]1([H:11])[C@@:6]2([H:12])[N:7]34,[O+:1]1=[C-:2][C@:6]2([H:12])[C@@:5]1([H:11])[C@:4]1([H:10])[C:3]([H:8])([H:9])[N:7]12,"InChI=1S/C5H5NO/c7-4-1-2-5(7)3(4)6(1)2/h1-5H/t1-,2+,3-,4+,5-,6?","InChI=1S/C5H5NO/c1-3-5-4(2-7-5)6(1)3/h3-5H,1H2/t3-,4+,5+,6?/m0/s1",56.10009,38.54459,
13610,[O:1]1[C@:2]2([H:8])[C@:3]3([H:9])[C@:4]4([H:10])[C@@:5]1([H:11])[C@@:6]2([H:12])[N:7]34,[O:1]1[C@@:2]2([H:8])[C@:3]3([H:9])[C@@:6]2([H:12])[N:7]3[C:4]([H:10])=[C:5]1[H:11],"InChI=1S/C5H5NO/c7-4-1-2-5(7)3(4)6(1)2/h1-5H/t1-,2+,3-,4+,5-,6?","InChI=1S/C5H5NO/c1-2-7-5-3-4(5)6(1)3/h1-5H/t3-,4+,5-,6?",33.489090000000004,-19.11216,
13611,[O:1]1[C@:2]2([H:8])[C@:3]3([H:9])[C@:4]4([H:10])[C@@:5]1([H:11])[C@@:6]2([H:12])[N:7]34,[O:1]1[C@@:2]2([H:8])[C:3]([H:9])=[N:7][C@@:6]2([H:12])[C@:5]1([C:4][H:10])[H:11],"InChI=1S/C5H5NO/c7-4-1-2-5(7)3(4)6(1)2/h1-5H/t1-,2+,3-,4+,5-,6?","InChI=1S/C5H5NO/c1-3-5-4(7-3)2-6-5/h1-5H/t3-,4+,5+/m1/s1",53.155719999999995,53.89383,
13612,[O:1]1[C@:2]2([H:8])[C@:3]3([H:9])[C@:4]4([H:10])[C@@:5]1([H:11])[C@@:6]2([H:12])[N:7]34,[O:1]1[C:2]([H:8])=[C:3]([H:9])[C@@:4]2([H:10])[C@:5]1([H:11])[C:6]([H:12])=[N:7]2,"InChI=1S/C5H5NO/c7-4-1-2-5(7)3(4)6(1)2/h1-5H/t1-,2+,3-,4+,5-,6?","InChI=1S/C5H5NO/c1-2-7-5-3-6-4(1)5/h1-5H/t4-,5-/m0/s1",53.544819999999994,-49.05044,
13613,[O:1]1[C@:2]2([H:8])[C@:3]3([H:9])[C@:4]4([H:10])[C@@:5]1([H:11])[C@@:6]2([H:12])[N:7]34,[O+:1]1=[C-:2][C@@:3]2([H:9])[C@@:4]3([H:10])[C@:5]1([H:11])[C:6]([H:8])([H:12])[N:7]23,"InChI=1S/C5H5NO/c7-4-1-2-5(7)3(4)6(1)2/h1-5H/t1-,2+,3-,4+,5-,6?","InChI=1S/C5H5NO/c1-4-5-3(2-7-4)6(1)5/h3-5H,1H2/t3-,4-,5-,6?/m0/s1",60.19471,10.7388,
13614,[O:1]1[C@:2]2([H:8])[C@:3]3([H:9])[C@:4]4([H:10])[C@@:5]1([H:11])[C@@:6]2([H:12])[N:7]34,[O:1]=[C:2]([C@@:3]1([H:9])[C@@:4]2([H:10])[C:5]([H:11])=[C:6]([H:12])[N:7]12)[H:8],"InChI=1S/C5H5NO/c7-4-1-2-5(7)3(4)6(1)2/h1-5H/t1-,2+,3-,4+,5-,6?","InChI=1S/C5H5NO/c7-3-5-4-1-2-6(4)5/h1-5H/t4-,5+,6?/m1/s1",31.81652,-17.95841,
13615,[O:1]1[C@:2]2([H:8])[C@:3]3([H:9])[C@:4]4([H:10])[C@@:5]1([H:11])[C@@:6]2([H:12])[N:7]34,[O:1]1[C@:2]2([H:8])[C@:3]3([H:9])[C@:4]([H:10])([C@@:5]1([H:11])[C:6]2)[N:7]3[H:12],"InChI=1S/C5H5NO/c7-4-1-2-5(7)3(4)6(1)2/h1-5H/t1-,2+,3-,4+,5-,6?","InChI=1S/C5H5NO/c1-2-4-5(6-4)3(1)7-2/h2-6H/t2-,3+,4+,5-",59.1189,37.233470000000004,
13616,[O:1]1[C@:2]2([H:8])[C@:3]3([H:9])[C@:4]4([H:10])[C@@:5]1([H:11])[C@@:6]2([H:12])[N:7]34,[O:1]1[C:2]([H:8])=[C:6]([H:12])[C@:5]1([C@:4]1([H:10])[C:3]([H:9])=[N:7]1)[H:11],"InChI=1S/C5H5NO/c7-4-1-2-5(7)3(4)6(1)2/h1-5H/t1-,2+,3-,4+,5-,6?","InChI=1S/C5H5NO/c1-2-7-5(1)4-3-6-4/h1-5H/t4-,5-/m0/s1",69.90644,-13.662,
13617,[N:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[c:5]([O:6][H:12])[n:7]1[H:13])([H:8])[H:9],[N:1]([C:2]1=[C:3]([H:10])[C:4]([H:11])([H:13])[C:5]([O:6][H:12])=[N:7]1)([H:8])[H:9],"InChI=1S/C4H6N2O/c5-3-1-2-4(7)6-3/h1-2,6-7H,5H2","InChI=1S/C4H6N2O/c5-3-1-2-4(7)6-3/h1H,2,5H2,(H,6,7)",42.197990000000004,1.48129,
13618,[N:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[c:5]([O:6][H:12])[n:7]1[H:13])([H:8])[H:9],[N+:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[c:5]([O:6][H:12])[n-:7]1)([H:8])([H:9])[H:13],"InChI=1S/C4H6N2O/c5-3-1-2-4(7)6-3/h1-2,6-7H,5H2","InChI=1S/C4H5N2O/c5-3-1-2-4(7)6-3/h1-2,7H,5H2/q-1/p+1",45.35911,34.835229999999996,
13619,[N:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[c:5]([O:6][H:12])[n:7]1[H:13])([H:8])[H:9],[N:1]([C:2]1=[C:3]([H:10])/[C:5](=[C:4](/[O:6][H:12])[H:11])[N:7]1[H:13])([H:8])[H:9],"InChI=1S/C4H6N2O/c5-3-1-2-4(7)6-3/h1-2,6-7H,5H2","InChI=1S/C4H6N2O/c5-4-1-3(2-7)6-4/h1-2,6-7H,5H2/b3-2-",150.42148999999998,42.55234,
13620,[N:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[c:5]([O:6][H:12])[n:7]1[H:13])([H:8])[H:9],[N:1]([C@:3]1([H:10])[C:2][N:7]([H:13])[C:5]([O:6][H:12])=[C:4]1[H:11])([H:8])[H:9],"InChI=1S/C4H6N2O/c5-3-1-2-4(7)6-3/h1-2,6-7H,5H2","InChI=1S/C4H6N2O/c5-3-1-4(7)6-2-3/h1,3,6-7H,5H2/t3-/m0/s1",71.43455,60.59514,
13621,[N:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[c:5]([O:6][H:12])[n:7]1[H:13])([H:8])[H:9],[N:1]([C:2]1=[C:3]([H:10])[C@@:4]([O:6][H:12])([H:11])[C:5][N:7]1[H:13])([H:8])[H:9],"InChI=1S/C4H6N2O/c5-3-1-2-4(7)6-3/h1-2,6-7H,5H2","InChI=1S/C4H6N2O/c5-4-1-3(7)2-6-4/h1,3,6-7H,5H2/t3-/m0/s1",72.31416,59.12535,
13622,[N:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[c:5]([O:6][H:12])[n:7]1[H:13])([H:8])[H:9],[N:1]([C@:2]1([H:13])[C:3]([H:10])=[C:4]([H:11])[C:5]([O:6][H:12])=[N:7]1)([H:8])[H:9],"InChI=1S/C4H6N2O/c5-3-1-2-4(7)6-3/h1-2,6-7H,5H2","InChI=1S/C4H6N2O/c5-3-1-2-4(7)6-3/h1-3H,5H2,(H,6,7)/t3-/m0/s1",42.68763,8.81823,
13623,[N:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[c:5]([O:6][H:12])[n:7]1[H:13])([H:8])[H:9],[N:1](=[C:2]1\[C:3]([H:9])([H:10])[C:4]([H:11])=[C:5]([O:6][H:12])[N:7]1[H:13])\[H:8],"InChI=1S/C4H6N2O/c5-3-1-2-4(7)6-3/h1-2,6-7H,5H2","InChI=1S/C4H6N2O/c5-3-1-2-4(7)6-3/h2,7H,1H2,(H2,5,6)",64.76911,1.03264,
13624,[N:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[c:5]([O:6][H:12])[n:7]1[H:13])([H:8])[H:9],[N:1](=[C:2]1\[C:3]([H:10])=[C:4]([H:11])[C@:5]([O:6][H:12])([H:8])[N:7]1[H:13])\[H:9],"InChI=1S/C4H6N2O/c5-3-1-2-4(7)6-3/h1-2,6-7H,5H2","InChI=1S/C4H6N2O/c5-3-1-2-4(7)6-3/h1-2,4,7H,(H2,5,6)/t4-/m1/s1",78.42387,3.63509,
13625,[N:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[c:5]([O:6][H:12])[n:7]1[H:13])([H:8])[H:9],[N:1]([C@@:2]12[C:3]([H:10])=[C:4]([H:11])[C@:5]1([O:6][H:12])[N:7]2[H:13])([H:8])[H:9],"InChI=1S/C4H6N2O/c5-3-1-2-4(7)6-3/h1-2,6-7H,5H2","InChI=1S/C4H6N2O/c5-3-1-2-4(3,7)6-3/h1-2,6-7H,5H2/t3-,4-/m1/s1",88.59706,77.81078000000001,Intra_2+2_cycloaddition_Cd
13626,[N:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[c:5]([O:6][H:12])[n:7]1[H:13])([H:8])[H:9],[N:1]([C:2]1=[C:3]([H:10])[C:4]([H:11])([H:12])[C:5](=[O:6])[N:7]1[H:13])([H:8])[H:9],"InChI=1S/C4H6N2O/c5-3-1-2-4(7)6-3/h1-2,6-7H,5H2","InChI=1S/C4H6N2O/c5-3-1-2-4(7)6-3/h1H,2,5H2,(H,6,7)",50.16877,-10.93393,ketoenol
13627,[N:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[c:5]([O:6][H:12])[n:7]1[H:13])([H:8])[H:9],[N:1]([C@@:2]1([O:6][H:12])[C+:3]([H:10])[C:4]([H:11])=[C-:5][N:7]1[H:13])([H:8])[H:9],"InChI=1S/C4H6N2O/c5-3-1-2-4(7)6-3/h1-2,6-7H,5H2","InChI=1S/C4H6N2O/c5-4(7)2-1-3-6-4/h1-2,6-7H,5H2/t4-/m0/s1",101.21118,55.824459999999995,
13628,[N:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[c:5]([O:6][H:12])[n:7]1[H:13])([H:8])[H:9],[N:1]([C:2]1=[C:3]([H:10])[C@:4]1(/[C:5]([O:6][H:12])=[N:7]/[H:13])[H:11])([H:8])[H:9],"InChI=1S/C4H6N2O/c5-3-1-2-4(7)6-3/h1-2,6-7H,5H2","InChI=1S/C4H6N2O/c5-3-1-2(3)4(6)7/h1-2H,5H2,(H2,6,7)/t2-/m1/s1",58.77413000000001,39.67542,
13629,[N:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[c:5]([O:6][H:12])[n:7]1[H:13])([H:8])[H:9],[N+:1](=[C-:2]/[C:3](=[C:4]([C:5](\[O:6][H:12])=[N:7]\[H:13])/[H:11])[H:10])([H:8])[H:9],"InChI=1S/C4H6N2O/c5-3-1-2-4(7)6-3/h1-2,6-7H,5H2","InChI=1S/C4H6N2O/c5-3-1-2-4(6)7/h1-2H,5H2,(H2,6,7)/b2-1-",41.46495,39.373709999999996,
13630,[N:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[c:5]([O:6][H:12])[n:7]1[H:13])([H:8])[H:9],[N:1]([C:2]1=[N:7][C:5]([O:6][H:12])=[C:4]([H:11])[C:3]1([H:10])[H:13])([H:8])[H:9],"InChI=1S/C4H6N2O/c5-3-1-2-4(7)6-3/h1-2,6-7H,5H2","InChI=1S/C4H6N2O/c5-3-1-2-4(7)6-3/h2,7H,1H2,(H2,5,6)",43.957370000000004,-0.8731700000000001,
13631,[N:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[c:5]([O:6][H:12])[n:7]1[H:13])([H:8])[H:9],[N:1]([C:2]1=[N:7][C@:5]([O:6][H:12])([H:13])[C:4]([H:11])=[C:3]1[H:10])([H:8])[H:9],"InChI=1S/C4H6N2O/c5-3-1-2-4(7)6-3/h1-2,6-7H,5H2","InChI=1S/C4H6N2O/c5-3-1-2-4(7)6-3/h1-2,4,7H,(H2,5,6)/t4-/m0/s1",42.19486,5.89425,
13632,[N:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[c:5]([O:6][H:12])[n:7]1[H:13])([H:8])[H:9],[N:1]([C:2]([C:3](=[C:4]=[C:5]([O:6][H:12])[H:11])[H:10])=[N:7][H:13])([H:8])[H:9],"InChI=1S/C4H6N2O/c5-3-1-2-4(7)6-3/h1-2,6-7H,5H2","InChI=1S/C4H6N2O/c5-4(6)2-1-3-7/h2-3,7H,(H3,5,6)",70.69234,30.00471,
13633,[N:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[c:5]([O:6][H:12])[n:7]1[H:13])([H:8])[H:9],[N:1]([C:2]1=[C-:3][C:4]([H:10])([H:11])[C+:5]([O:6][H:12])[N:7]1[H:13])([H:8])[H:9],"InChI=1S/C4H6N2O/c5-3-1-2-4(7)6-3/h1-2,6-7H,5H2","InChI=1S/C4H6N2O/c5-3-1-2-4(7)6-3/h6-7H,2,5H2",74.54926999999999,69.32514,
13634,[N:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[c:5]([O:6][H:12])[n:7]1[H:13])([H:8])[H:9],[N:1]([C@@:2]1([H:10])[C-:3]=[C:4]([H:11])[C+:5]([O:6][H:12])[N:7]1[H:13])([H:8])[H:9],"InChI=1S/C4H6N2O/c5-3-1-2-4(7)6-3/h1-2,6-7H,5H2","InChI=1S/C4H6N2O/c5-3-1-2-4(7)6-3/h2-3,6-7H,5H2/t3-/m1/s1",65.39759000000001,58.804990000000004,Singlet_Carbene_Intra_Disproportionation
13635,[N:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[c:5]([O:6][H:12])[n:7]1[H:13])([H:8])[H:9],[N:1]([C:2][N:7]([C:5]1([O:6][H:12])[C:3]([H:10])=[C:4]1[H:11])[H:13])([H:8])[H:9],"InChI=1S/C4H6N2O/c5-3-1-2-4(7)6-3/h1-2,6-7H,5H2","InChI=1S/C4H6N2O/c5-3-6-4(7)1-2-4/h1-2,6-7H,5H2",103.42669000000001,82.73161,
13636,[N:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[c:5]([O:6][H:12])[n:7]1[H:13])([H:8])[H:9],[H:12][H:13].[N:1]([C:2]1=[N:7][C:5](=[O:6])[C:4]([H:11])=[C:3]1[H:10])([H:8])[H:9],"InChI=1S/C4H6N2O/c5-3-1-2-4(7)6-3/h1-2,6-7H,5H2","InChI=1S/C4H4N2O.H2/c5-3-1-2-4(7)6-3;/h1-2H,(H2,5,6,7);1H",70.99181999999999,14.381170000000001,
13637,[N:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[c:5]([O:6][H:12])[n:7]1[H:13])([H:8])[H:9],[N:1]([C+:2]1[C:3]([H:10])=[C-:4][C@@:5]([O:6][H:12])([H:11])[N:7]1[H:13])([H:8])[H:9],"InChI=1S/C4H6N2O/c5-3-1-2-4(7)6-3/h1-2,6-7H,5H2","InChI=1S/C4H6N2O/c5-3-1-2-4(7)6-3/h1,4,6-7H,5H2/t4-/m0/s1",64.47028,55.017340000000004,Singlet_Carbene_Intra_Disproportionation
13638,[N:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[c:5]([O:6][H:12])[n:7]1[H:13])([H:8])[H:9],[N:1]([C@@:2]1([H:12])[C:3]([H:10])=[C:4]([H:11])[C:5](=[O:6])[N:7]1[H:13])([H:8])[H:9],"InChI=1S/C4H6N2O/c5-3-1-2-4(7)6-3/h1-2,6-7H,5H2","InChI=1S/C4H6N2O/c5-3-1-2-4(7)6-3/h1-3H,5H2,(H,6,7)/t3-/m1/s1",77.08744,-5.48653,
13639,[N:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[c:5]([O:6][H:12])[n:7]1[H:13])([H:8])[H:9],[N:1]([C@@:2]1([H:11])[C:3]([H:10])=[C:4]=[C:5]([O:6][H:12])[N:7]1[H:13])([H:8])[H:9],"InChI=1S/C4H6N2O/c5-3-1-2-4(7)6-3/h1-2,6-7H,5H2","InChI=1S/C4H6N2O/c5-3-1-2-4(7)6-3/h1,3,6-7H,5H2/t3-/m1/s1",71.96564000000001,48.877179999999996,
13640,[N:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[c:5]([O:6][H:12])[n:7]1[H:13])([H:8])[H:9],[N+:1]([C-:2]1[C:3]([H:10])=[C:4]=[C:5]([O:6][H:12])[N:7]1[H:13])([H:8])([H:9])[H:11],"InChI=1S/C4H6N2O/c5-3-1-2-4(7)6-3/h1-2,6-7H,5H2","InChI=1S/C4H6N2O/c5-3-1-2-4(7)6-3/h1,6-7H,5H3",124.70723000000001,92.87643,
13641,[N:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[c:5]([O:6][H:12])[n:7]1[H:13])([H:8])[H:9],[N+:1]([C:2]1=[C:3]=[C:4]([H:11])[C-:5]([O:6][H:12])[N:7]1[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c5-3-1-2-4(7)6-3/h1-2,6-7H,5H2","InChI=1S/C4H5N2O/c5-3-1-2-4(7)6-3/h2,6-7H,5H2/q-1/p+1",82.66232,82.68482,
13642,[N:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[c:5]([O:6][H:12])[n:7]1[H:13])([H:8])[H:9],[N:1]([C:2](=[C:3])[N:7]([C:5](=[C:4]([H:10])[H:11])[O:6][H:12])[H:13])([H:8])[H:9],"InChI=1S/C4H6N2O/c5-3-1-2-4(7)6-3/h1-2,6-7H,5H2","InChI=1S/C4H6N2O/c1-3(5)6-4(2)7/h6-7H,2,5H2",92.12599,96.39671,
13643,[N:1]([c:2]1[c:3]([H:10])[c:4]([H:11])[c:5]([O:6][H:12])[n:7]1[H:13])([H:8])[H:9],[N:1]([C:2]1=[C:3]([H:10])[C:4]([H:11])=[C:5]=[N:7]1)([H:8])[H:9].[O:6]([H:12])[H:13],"InChI=1S/C4H6N2O/c5-3-1-2-4(7)6-3/h1-2,6-7H,5H2","InChI=1S/C4H4N2.H2O/c5-4-2-1-3-6-4;/h1-2H,5H2;1H2",64.52016,72.73385999999999,
13644,[C:1]([C:2]([N:3]([C:4](=[O:5])[O:6][C:7]([H:14])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C-:2](=[N+:3]([C:4](=[O:5])[O:6][C:7]([H:14])([H:15])[H:16])[H:13])[H:11].[C:1]([H:8])([H:9])([H:10])[H:12],"InChI=1S/C4H9NO2/c1-3-5-4(6)7-2/h3H2,1-2H3,(H,5,6)","InChI=1S/C3H5NO2.CH4/c1-4-3(5)6-2;/h1,4H,2H3;1H4",71.68045,63.18801,
13645,[C:1]([C:2]([N:3]([C:4](=[O:5])[O:6][C:7]([H:14])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O+:5]=[C:4]([N:3]([C-:2]([H:11])[H:12])[H:13])[O:6][C:7]([H:14])([H:15])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C4H9NO2/c1-3-5-4(6)7-2/h3H2,1-2H3,(H,5,6)","InChI=1S/C4H9NO2/c1-5-4(6-2)7-3/h5H,1H2,2-3H3",92.24204,84.78618,
13646,[C:1]([C:2]([N:3]([C:4](=[O:5])[O:6][C:7]([H:14])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2](/[N:3]=[C:4](/[O:5][H:13])[O:6][C:7]([H:14])([H:15])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H9NO2/c1-3-5-4(6)7-2/h3H2,1-2H3,(H,5,6)","InChI=1S/C4H9NO2/c1-3-5-4(6)7-2/h3H2,1-2H3,(H,5,6)",46.047,18.27065,ketoenol
13647,[C:1]([C:2]([N:3]([C:4](=[O:5])[O:6][C:7]([H:14])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](=[C:2]([H:11])[H:12])([H:8])[H:10].[N:3](=[C:4](/[O:5][H:9])[O:6][C:7]([H:14])([H:15])[H:16])\[H:13],"InChI=1S/C4H9NO2/c1-3-5-4(6)7-2/h3H2,1-2H3,(H,5,6)","InChI=1S/C2H5NO2.C2H4/c1-5-2(3)4;1-2/h1H3,(H2,3,4);1-2H2",53.69565,35.48836,Retroene
13648,[C:1]([C:2]([N:3]([C:4](=[O:5])[O:6][C:7]([H:14])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:4](=[O:5])[O:6][C:7]([H:14])([H:15])[H:16])([H:8])([H:9])[H:10].[C:2](=[N:3][H:13])([H:11])[H:12],"InChI=1S/C4H9NO2/c1-3-5-4(6)7-2/h3H2,1-2H3,(H,5,6)","InChI=1S/C3H6O2.CH3N/c1-3(4)5-2;1-2/h1-2H3;2H,1H2",102.22502,27.131520000000002,
13649,[C:1]([C:2]([N:3]([C:4](=[O:5])[O:6][C:7]([H:14])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](/[C:2](=[N:3]/[C:4](=[O:5])[O:6][C:7]([H:13])([H:14])[H:15])[H:11])([H:8])([H:9])[H:10].[H:12][H:16],"InChI=1S/C4H9NO2/c1-3-5-4(6)7-2/h3H2,1-2H3,(H,5,6)","InChI=1S/C4H7NO2.H2/c1-3-5-4(6)7-2;/h3H,1-2H3;1H/b5-3+;",90.56889,33.75342,
13650,[C:1]([C:2]([N:3]([C:4](=[O:5])[O:6][C:7]([H:14])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([O:5]/[C:4](=[N:3]/[H:13])[O:6][C:7]([H:14])([H:15])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H9NO2/c1-3-5-4(6)7-2/h3H2,1-2H3,(H,5,6)","InChI=1S/C4H9NO2/c1-3-7-4(5)6-2/h5H,3H2,1-2H3/b5-4+",68.04661,21.23396,ketoenol
13651,[C:1]([C:2]([N:3]([C:4](=[O:5])[O:6][C:7]([H:14])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](/[C:2](=[N:3]\[H:13])[H:11])([H:8])([H:9])[H:10].[C:4](=[O:5])([O:6][C:7]([H:14])([H:15])[H:16])[H:12],"InChI=1S/C4H9NO2/c1-3-5-4(6)7-2/h3H2,1-2H3,(H,5,6)","InChI=1S/C2H5N.C2H4O2/c1-2-3;1-4-2-3/h2-3H,1H3;2H,1H3/b3-2-;",88.44926,27.250020000000003,
13652,[C:1]([C:2]([N:3]([C:4](=[O:5])[O:6][C:7]([H:14])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:13].[C:2](=[N:3][C:4](=[O:5])[O:6][C:7]([H:14])([H:15])[H:16])([H:11])[H:12],"InChI=1S/C4H9NO2/c1-3-5-4(6)7-2/h3H2,1-2H3,(H,5,6)","InChI=1S/C3H5NO2.CH4/c1-4-3(5)6-2;/h1H2,2H3;1H4",93.69771999999999,24.85356,
13653,[C:1]([C:2]([N:3]([C:4](=[O:5])[O:6][C:7]([H:14])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([H:11])([H:12])[H:13])([H:8])([H:9])[H:10].[N:3](=[C:4]=[O:5])[O:6][C:7]([H:14])([H:15])[H:16],"InChI=1S/C4H9NO2/c1-3-5-4(6)7-2/h3H2,1-2H3,(H,5,6)",InChI=1S/C2H3NO2.C2H6/c1-5-3-2-4;1-2/h1H3;1-2H3,83.61616,66.60015,
13654,[C:1]([C:2]([N:3]([C:4](=[O:5])[O:6][C:7]([H:14])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C-:2]([N+:3]([C:4](=[O:5])[O:6][C:7]([H:14])([H:15])[H:16])([H:12])[H:13])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H9NO2/c1-3-5-4(6)7-2/h3H2,1-2H3,(H,5,6)","InChI=1S/C4H9NO2/c1-3-5-4(6)7-2/h3H,5H2,1-2H3",86.47801,78.94882,
13655,[C:1]([C:2]([N:3]([C:4](=[O:5])[O:6][C:7]([H:14])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([N:3]=[C:4]=[O:5])([H:11])[H:12])([H:8])([H:9])[H:10].[O:6]([C:7]([H:14])([H:15])[H:16])[H:13],"InChI=1S/C4H9NO2/c1-3-5-4(6)7-2/h3H2,1-2H3,(H,5,6)","InChI=1S/C3H5NO.CH4O/c1-2-4-3-5;1-2/h2H2,1H3;2H,1H3",44.81635,19.78683,"1,3_Insertion_ROR"
13656,[C:1]([C:2]([N:3]([C:4](=[O:5])[O:6][C:7]([H:14])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([N:3]([C:4](=[O:5])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10].[O:6]=[C:7]([H:14])[H:15],"InChI=1S/C4H9NO2/c1-3-5-4(6)7-2/h3H2,1-2H3,(H,5,6)","InChI=1S/C3H7NO.CH2O/c1-2-4-3-5;1-2/h3H,2H2,1H3,(H,4,5);1H2",79.15209,26.414209999999997,
13657,[C:1]([C:2]([N:3]([C:4](=[O:5])[O:6][C:7]([H:14])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([N:3]([C:7]([H:14])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10].[C:4](=[O:5])=[O:6],"InChI=1S/C4H9NO2/c1-3-5-4(6)7-2/h3H2,1-2H3,(H,5,6)","InChI=1S/C3H9N.CO2/c1-3-4-2;2-1-3/h4H,3H2,1-2H3;",62.870430000000006,-1.1291200000000001,"1,3_Insertion_CO2"
13658,[C:1]([C:2]([N:3]([C:4](=[O:5])[O:6][C:7]([H:14])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]1([H:8])([H:10])[C:2]([H:11])([H:12])[N:3]1[H:13].[C:4](=[O:5])([O:6][C:7]([H:14])([H:15])[H:16])[H:9],"InChI=1S/C4H9NO2/c1-3-5-4(6)7-2/h3H2,1-2H3,(H,5,6)","InChI=1S/C2H5N.C2H4O2/c1-2-3-1;1-4-2-3/h3H,1-2H2;2H,1H3",108.25223999999999,49.67653,
13659,[C:1]([C:2]([N:3]([C:4](=[O:5])[O:6][C:7]([H:14])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]1([H:8])([H:10])[C:2]([H:11])([H:12])[N:3]([H:13])[C@@:4]1([O:5][H:9])[O:6][C:7]([H:14])([H:15])[H:16],"InChI=1S/C4H9NO2/c1-3-5-4(6)7-2/h3H2,1-2H3,(H,5,6)","InChI=1S/C4H9NO2/c1-7-4(6)2-3-5-4/h5-6H,2-3H2,1H3/t4-/m0/s1",90.04758000000001,38.60477,
13660,[C:1]([C:2]([N:3]([C:4](=[O:5])[O:6][C:7]([H:14])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](=[C:2]([H:11])[H:12])([H:8])[H:10].[N:3](=[C:4]=[O:5])[H:13].[O:6]([C:7]([H:14])([H:15])[H:16])[H:9],"InChI=1S/C4H9NO2/c1-3-5-4(6)7-2/h3H2,1-2H3,(H,5,6)","InChI=1S/C2H4.CHNO.CH4O/c1-2;2-1-3;1-2/h1-2H2;2H;2H,1H3",69.36553,37.89386,
13661,[C:1]([C:2]([N:3]([C:4](=[O:5])[O:6][C:7]([H:14])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([N:3]([O:5][C-:4]=[O+:6][C:7]([H:14])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H9NO2/c1-3-5-4(6)7-2/h3H2,1-2H3,(H,5,6)","InChI=1S/C4H9NO2/c1-3-5-7-4-6-2/h5H,3H2,1-2H3",113.33774,99.03599,
13662,[C:1]([C:2]([N:3]([C:4](=[O:5])[O:6][C:7]([H:14])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([N:3]([C@@:4]1([O:5][H:16])[O:6][C:7]1([H:14])[H:15])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H9NO2/c1-3-5-4(6)7-2/h3H2,1-2H3,(H,5,6)","InChI=1S/C4H9NO2/c1-2-5-4(6)3-7-4/h5-6H,2-3H2,1H3/t4-/m0/s1",81.31042,41.97018,
13663,[C:1]([C:2]([N:3]([C:4](=[O:5])[O:6][C:7]([H:14])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([O:6][C:7]([H:14])([H:15])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10].[N:3](=[C:4]=[O:5])[H:13],"InChI=1S/C4H9NO2/c1-3-5-4(6)7-2/h3H2,1-2H3,(H,5,6)","InChI=1S/C3H8O.CHNO/c1-3-4-2;2-1-3/h3H2,1-2H3;2H",77.88678,22.31038,
13664,[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C@:5]1([C:6]([O:7][H:19])([H:17])[H:18])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C@:5]1([C:6](=[O:7])[H:18])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10].[H:17][H:19],"InChI=1S/C6H12O/c1-2-5-3-6(5)4-7/h5-7H,2-4H2,1H3/t5-,6-/m0/s1","InChI=1S/C6H10O.H2/c1-2-5-3-6(5)4-7;/h4-6H,2-3H2,1H3;1H/t5-,6-;/m0./s1",82.24283,14.631020000000001,
13665,[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C@:5]1([C:6]([O:7][H:19])([H:17])[H:18])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]1([H:9])([H:10])[C:2]([H:11])([H:12])[C:3]1([C:4]([C:5]([C:6]([O:7][H:19])([H:17])[H:18])([H:8])[H:16])([H:14])[H:15])[H:13],"InChI=1S/C6H12O/c1-2-5-3-6(5)4-7/h5-7H,2-4H2,1H3/t5-,6-/m0/s1","InChI=1S/C6H12O/c7-5-1-2-6-3-4-6/h6-7H,1-5H2",79.76501,3.4246199999999996,
13666,[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C@:5]1([C:6]([O:7][H:19])([H:17])[H:18])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:11].[C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C@:5]1([C:6]([O:7][H:19])([H:17])[H:18])[H:16])[H:12],"InChI=1S/C6H12O/c1-2-5-3-6(5)4-7/h5-7H,2-4H2,1H3/t5-,6-/m0/s1","InChI=1S/C5H8O.CH4/c1-4-2-5(4)3-6;/h1,4-6H,2-3H2;1H4/t4-,5-;/m0./s1",82.92917,88.51413000000001,
13667,[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C@:5]1([C:6]([O:7][H:19])([H:17])[H:18])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([H:11])([H:12])[H:19])([H:8])([H:9])[H:10].[C:3]1([H:13])=[C:5]([H:16])[C:4]1([H:14])[H:15].[C:6](=[O:7])([H:17])[H:18],"InChI=1S/C6H12O/c1-2-5-3-6(5)4-7/h5-7H,2-4H2,1H3/t5-,6-/m0/s1","InChI=1S/C3H4.C2H6.CH2O/c1-2-3-1;2*1-2/h1-2H,3H2;1-2H3;1H2",81.28636,62.04186,
13668,[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C@:5]1([C:6]([O:7][H:19])([H:17])[H:18])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C@@:5]([C:3]1([H:13])[C:2]([H:11])([H:12])[C:4]1([H:14])[H:15])([C:6]([O:7][H:19])([H:17])[H:18])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-2-5-3-6(5)4-7/h5-7H,2-4H2,1H3/t5-,6-/m0/s1","InChI=1S/C6H12O/c1-5(4-7)6-2-3-6/h5-7H,2-4H2,1H3/t5-/m1/s1",107.77233999999999,2.0261299999999998,
13669,[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C@:5]1([C:6]([O:7][H:19])([H:17])[H:18])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:3](=[C:2]([H:11])[H:12])[H:13])([H:8])([H:9])[H:10].[C:4](=[C:5]([C:6]([O:7][H:19])([H:17])[H:18])[H:16])([H:14])[H:15],"InChI=1S/C6H12O/c1-2-5-3-6(5)4-7/h5-7H,2-4H2,1H3/t5-,6-/m0/s1","InChI=1S/C3H6O.C3H6/c1-2-3-4;1-3-2/h2,4H,1,3H2;3H,1H2,2H3",97.16261,15.324029999999999,
13670,[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C@:5]1([C:6]([O:7][H:19])([H:17])[H:18])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:3]1([H:13])[C-:4]([H:15])[C@:5]1([C+:6]([O:7][H:19])[H:18])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10].[H:14][H:17],"InChI=1S/C6H12O/c1-2-5-3-6(5)4-7/h5-7H,2-4H2,1H3/t5-,6-/m0/s1","InChI=1S/C6H10O.H2/c1-2-5-3-6(5)4-7;/h3-7H,2H2,1H3;1H/t5-,6-;/m0./s1",102.46853,78.37634,
13671,[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C@:5]1([C:6]([O:7][H:19])([H:17])[H:18])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3][C:4]([C:5]([C:6]([O:7][H:19])([H:17])[H:18])([H:13])[H:16])([H:14])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-2-5-3-6(5)4-7/h5-7H,2-4H2,1H3/t5-,6-/m0/s1","InChI=1S/C6H12O/c1-2-3-4-5-6-7/h7H,2,4-6H2,1H3",66.02771,68.60200999999999,
13672,[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C@:5]1([C:6]([O:7][H:19])([H:17])[H:18])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:3]([C:4]([H:14])([H:15])[H:16])([C:5][C:6]([O:7][H:19])([H:17])[H:18])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-2-5-3-6(5)4-7/h5-7H,2-4H2,1H3/t5-,6-/m0/s1","InChI=1S/C6H12O/c1-3-6(2)4-5-7/h6-7H,3,5H2,1-2H3/t6-/m1/s1",64.31591,64.38393,
13673,[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C@:5]1([C:6]([O:7][H:19])([H:17])[H:18])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]1([H:13])[C:4]([H:15])=[C:5]1[H:16])([H:11])[H:12])([H:8])([H:9])[H:10].[C:6]([O:7][H:19])([H:14])([H:17])[H:18],"InChI=1S/C6H12O/c1-2-5-3-6(5)4-7/h5-7H,2-4H2,1H3/t5-,6-/m0/s1","InChI=1S/C5H8.CH4O/c1-2-5-3-4-5;1-2/h3-5H,2H2,1H3;2H,1H3",94.23399,48.46735,
13674,[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C@:5]1([C:6]([O:7][H:19])([H:17])[H:18])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:3]([C:4](=[C:5](/[C:6]([O:7][H:19])([H:17])[H:18])[H:16])\[H:14])/[H:13])[H:12])([H:8])([H:9])[H:10].[H:11][H:15],"InChI=1S/C6H12O/c1-2-5-3-6(5)4-7/h5-7H,2-4H2,1H3/t5-,6-/m0/s1","InChI=1S/C6H10O.H2/c1-2-3-4-5-6-7;/h2-5,7H,6H2,1H3;1H/b3-2-,5-4-;",98.45329,20.34744,
13675,[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C@:5]1([C:6]([O:7][H:19])([H:17])[H:18])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C:5]1=[C:6]([H:17])[H:18])([H:11])[H:12])([H:8])([H:9])[H:10].[O:7]([H:16])[H:19],"InChI=1S/C6H12O/c1-2-5-3-6(5)4-7/h5-7H,2-4H2,1H3/t5-,6-/m0/s1","InChI=1S/C6H10.H2O/c1-3-6-4-5(6)2;/h6H,2-4H2,1H3;1H2/t6-;/m0./s1",66.64741,17.69572,"1,3_Insertion_ROR"
13676,[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C@:5]1([C:6]([O:7][H:19])([H:17])[H:18])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](=[C:2]([H:11])[H:12])([H:9])[H:10].[C:3]1([H:13])=[C:4]([H:14])[C:5]1([C:6]([O:7][H:19])([H:17])[H:18])[H:16].[H:8][H:15],"InChI=1S/C6H12O/c1-2-5-3-6(5)4-7/h5-7H,2-4H2,1H3/t5-,6-/m0/s1","InChI=1S/C4H6O.C2H4.H2/c5-3-4-1-2-4;1-2;/h1-2,4-5H,3H2;1-2H2;1H",93.70125,78.31867,
13677,[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C@:5]1([C:6]([O:7][H:19])([H:17])[H:18])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:3]([C:4]([O:7][H:19])([H:14])[H:15])([C:5](=[C:6]([H:17])[H:18])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-2-5-3-6(5)4-7/h5-7H,2-4H2,1H3/t5-,6-/m0/s1","InChI=1S/C6H12O/c1-3-6(4-2)5-7/h3,6-7H,1,4-5H2,2H3/t6-/m0/s1",65.63363000000001,-3.6468,
13678,[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C@:5]1([C:6]([O:7][H:19])([H:17])[H:18])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3](=[C:4]([H:14])[H:15])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10].[C:5](=[C:6]([O:7][H:19])[H:17])([H:16])[H:18],"InChI=1S/C6H12O/c1-2-5-3-6(5)4-7/h5-7H,2-4H2,1H3/t5-,6-/m0/s1","InChI=1S/C4H8.C2H4O/c1-3-4-2;1-2-3/h3H,1,4H2,2H3;2-3H,1H2",75.09871,8.96008,
13679,[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C@:5]1([C:6]([O:7][H:19])([H:17])[H:18])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2](/[C:3](=[C:4]([C:5](=[C:6](\[O:7][H:19])[H:18])\[H:16])/[H:14])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10].[H:15][H:17],"InChI=1S/C6H12O/c1-2-5-3-6(5)4-7/h5-7H,2-4H2,1H3/t5-,6-/m0/s1","InChI=1S/C6H10O.H2/c1-2-3-4-5-6-7;/h3-7H,2H2,1H3;1H/b4-3-,6-5+;",83.98087,13.35503,
13680,[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C@:5]1([C:6]([O:7][H:19])([H:17])[H:18])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:3]([C:4]([C:6]([O:7][H:19])([H:17])[H:18])([H:14])[H:15])([C:5][H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-2-5-3-6(5)4-7/h5-7H,2-4H2,1H3/t5-,6-/m0/s1","InChI=1S/C6H12O/c1-3-6(2)4-5-7/h2,6-7H,3-5H2,1H3/t6-/m0/s1",92.14751,80.16946999999999,
13681,[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C@:5]1([C:6]([O:7][H:19])([H:17])[H:18])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C@:5]1([O:7][H:19])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10].[C:6]([H:17])[H:18],"InChI=1S/C6H12O/c1-2-5-3-6(5)4-7/h5-7H,2-4H2,1H3/t5-,6-/m0/s1","InChI=1S/C5H10O.CH2/c1-2-4-3-5(4)6;/h4-6H,2-3H2,1H3;1H2/t4-,5+;/m0./s1",119.18246,117.46066,
13682,[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C@:5]1([C:6]([O:7][H:19])([H:17])[H:18])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](=[C:2]([H:11])[H:12])([H:9])[H:10].[C:3](=[C:4]([H:14])[H:15])([C:5]([C:6]([O:7][H:19])([H:17])[H:18])([H:8])[H:16])[H:13],"InChI=1S/C6H12O/c1-2-5-3-6(5)4-7/h5-7H,2-4H2,1H3/t5-,6-/m0/s1","InChI=1S/C4H8O.C2H4/c1-2-3-4-5;1-2/h2,5H,1,3-4H2;1-2H2",70.2853,18.23522,
13683,[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C@:5]1([C:6]([O:7][H:19])([H:17])[H:18])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2](/[C:3](=[C:5](\[C:4]([H:14])([H:15])[H:19])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10].[C:6](=[O:7])([H:17])[H:18],"InChI=1S/C6H12O/c1-2-5-3-6(5)4-7/h5-7H,2-4H2,1H3/t5-,6-/m0/s1","InChI=1S/C5H10.CH2O/c1-3-5-4-2;1-2/h3,5H,4H2,1-2H3;1H2/b5-3-;",51.34619,9.093,
13684,[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C@:5]1([C:6]([O:7][H:19])([H:17])[H:18])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3][C@@:5]([C:4]([H:13])([H:14])[H:15])([C:6]([O:7][H:19])([H:17])[H:18])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-2-5-3-6(5)4-7/h5-7H,2-4H2,1H3/t5-,6-/m0/s1","InChI=1S/C6H12O/c1-3-4-6(2)5-7/h6-7H,3,5H2,1-2H3/t6-/m1/s1",68.81453,71.46705,
13685,[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C@:5]1([C:6]([O:7][H:19])([H:17])[H:18])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C@:5]([O:7][H:19])([H:16])[C:6]1([H:17])[H:18])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-2-5-3-6(5)4-7/h5-7H,2-4H2,1H3/t5-,6-/m0/s1","InChI=1S/C6H12O/c1-2-5-3-6(7)4-5/h5-7H,2-4H2,1H3/t5-,6+",75.19236,-5.10131,
13686,[N:1]([C:2](=[O:3])[C:4]([O:5][C:6](=[O:7])[H:12])([H:10])[H:11])([H:8])[H:9],[H:8][H:11].[N:1](=[C:2]1\[O:3][C@@:4]1([O:5][C:6](=[O:7])[H:12])[H:10])\[H:9],"InChI=1S/C3H5NO3/c4-3(6)1-7-2-5/h2H,1H2,(H2,4,6)","InChI=1S/C3H3NO3.H2/c4-2-3(7-2)6-1-5;/h1,3-4H;1H/b4-2-;/t3-;/m0./s1",86.65375999999999,64.24577,
13687,[N:1]([C:2](=[O:3])[C:4]([O:5][C:6](=[O:7])[H:12])([H:10])[H:11])([H:8])[H:9],[N:1]1([H:9])[C:2](=[O:3])[C:4]([H:10])([H:11])[O:5][C@@:6]1([O:7][H:8])[H:12],"InChI=1S/C3H5NO3/c4-3(6)1-7-2-5/h2H,1H2,(H2,4,6)","InChI=1S/C3H5NO3/c5-2-1-7-3(6)4-2/h3,6H,1H2,(H,4,5)/t3-/m0/s1",53.15628,8.38141,
13688,[N:1]([C:2](=[O:3])[C:4]([O:5][C:6](=[O:7])[H:12])([H:10])[H:11])([H:8])[H:9],[N:1](/[C:2]([O:3][H:11])=[C:4](\[O:5][C:6](=[O:7])[H:12])[H:10])([H:8])[H:9],"InChI=1S/C3H5NO3/c4-3(6)1-7-2-5/h2H,1H2,(H2,4,6)","InChI=1S/C3H5NO3/c4-3(6)1-7-2-5/h1-2,6H,4H2/b3-1+",57.73367,24.145670000000003,ketoenol
13689,[N:1]([C:2](=[O:3])[C:4]([O:5][C:6](=[O:7])[H:12])([H:10])[H:11])([H:8])[H:9],[N:1](=[C:2]1\[O:3][C@:6]([O:7][H:8])([H:12])[O:5][C:4]1([H:10])[H:11])\[H:9],"InChI=1S/C3H5NO3/c4-3(6)1-7-2-5/h2H,1H2,(H2,4,6)","InChI=1S/C3H5NO3/c4-2-1-6-3(5)7-2/h3-5H,1H2/b4-2-/t3-/m0/s1",57.54192,19.583389999999998,
13690,[N:1]([C:2](=[O:3])[C:4]([O:5][C:6](=[O:7])[H:12])([H:10])[H:11])([H:8])[H:9],[N:1]([C:2]12[O:3][C:6]([H:12])([O:5][C:4]1([H:10])[H:11])[O:7]2)([H:8])[H:9],"InChI=1S/C3H5NO3/c4-3(6)1-7-2-5/h2H,1H2,(H2,4,6)","InChI=1S/C3H5NO3/c4-3-1-5-2(6-3)7-3/h2H,1,4H2",60.175909999999995,55.45276,
13691,[N:1]([C:2](=[O:3])[C:4]([O:5][C:6](=[O:7])[H:12])([H:10])[H:11])([H:8])[H:9],[N:1](=[C:2]1\[O:3][O:7][C:6]([H:8])([H:12])[O:5][C:4]1([H:10])[H:11])\[H:9],"InChI=1S/C3H5NO3/c4-3(6)1-7-2-5/h2H,1H2,(H2,4,6)","InChI=1S/C3H5NO3/c4-3-1-5-2-6-7-3/h4H,1-2H2/b4-3-",111.24553999999999,90.0355,
13692,[N:1]([C:2](=[O:3])[C:4]([O:5][C:6](=[O:7])[H:12])([H:10])[H:11])([H:8])[H:9],[C:2](=[O:3])=[C:4]([O:5][C:6](=[O:7])[H:12])[H:10].[N:1]([H:8])([H:9])[H:11],"InChI=1S/C3H5NO3/c4-3(6)1-7-2-5/h2H,1H2,(H2,4,6)",InChI=1S/C3H2O3.H3N/c4-1-2-6-3-5;/h2-3H;1H3,67.39952,44.80852,"1,3_NH3_elimination"
13693,[N:1]([C:2](=[O:3])[C:4]([O:5][C:6](=[O:7])[H:12])([H:10])[H:11])([H:8])[H:9],[C:6](=[O:7])([H:11])[H:12].[N:1]([C:2](=[O:3])[C:4](=[O:5])[H:10])([H:8])[H:9],"InChI=1S/C3H5NO3/c4-3(6)1-7-2-5/h2H,1H2,(H2,4,6)","InChI=1S/C2H3NO2.CH2O/c3-2(5)1-4;1-2/h1H,(H2,3,5);1H2",63.034380000000006,30.16334,
13694,[N:1]([C:2](=[O:3])[C:4]([O:5][C:6](=[O:7])[H:12])([H:10])[H:11])([H:8])[H:9],[N:1]([C@@:2]1([O:3][C:6](=[O:7])[H:12])[C:4]([H:10])([H:11])[O:5]1)([H:8])[H:9],"InChI=1S/C3H5NO3/c4-3(6)1-7-2-5/h2H,1H2,(H2,4,6)","InChI=1S/C3H5NO3/c4-3(1-6-3)7-2-5/h2H,1,4H2/t3-/m0/s1",54.87676,39.734809999999996,
13695,[N:1]([C:2](=[O:3])[C:4]([O:5][C:6](=[O:7])[H:12])([H:10])[H:11])([H:8])[H:9],[N:1]([C@@:2]1([H:12])[O:3][C:6](=[O:7])[O:5][C:4]1([H:10])[H:11])([H:8])[H:9],"InChI=1S/C3H5NO3/c4-3(6)1-7-2-5/h2H,1H2,(H2,4,6)","InChI=1S/C3H5NO3/c4-2-1-6-3(5)7-2/h2H,1,4H2/t2-/m0/s1",70.88498,4.38863,
13696,[N:1]([C:2](=[O:3])[C:4]([O:5][C:6](=[O:7])[H:12])([H:10])[H:11])([H:8])[H:9],[N:1](=[C:2](/[O:3][H:8])[C:4]([O:5][C:6](=[O:7])[H:12])([H:10])[H:11])\[H:9],"InChI=1S/C3H5NO3/c4-3(6)1-7-2-5/h2H,1H2,(H2,4,6)","InChI=1S/C3H5NO3/c4-3(6)1-7-2-5/h2H,1H2,(H2,4,6)",42.58109,10.35635,ketoenol
13697,[N:1]([C:2](=[O:3])[C:4]([O:5][C:6](=[O:7])[H:12])([H:10])[H:11])([H:8])[H:9],[N:1](=[C:2]1\[O:3][C:4]1([H:10])[H:11])\[H:9].[O:5]=[C:6]([O:7][H:8])[H:12],"InChI=1S/C3H5NO3/c4-3(6)1-7-2-5/h2H,1H2,(H2,4,6)","InChI=1S/C2H3NO.CH2O2/c3-2-1-4-2;2-1-3/h3H,1H2;1H,(H,2,3)/b3-2-;",38.76501,46.779579999999996,
13698,[N:1]([C:2](=[O:3])[C:4]([O:5][C:6](=[O:7])[H:12])([H:10])[H:11])([H:8])[H:9],[C-:2]#[O+:3].[C:4](=[O:5])([H:10])[H:11].[N:1]([C:6](=[O:7])[H:12])([H:8])[H:9],"InChI=1S/C3H5NO3/c4-3(6)1-7-2-5/h2H,1H2,(H2,4,6)","InChI=1S/CH3NO.CH2O.CO/c2-1-3;2*1-2/h1H,(H2,2,3);1H2;",57.68401,31.679209999999998,
13699,[N:1]([C:2](=[O:3])[C:4]([O:5][C:6](=[O:7])[H:12])([H:10])[H:11])([H:8])[H:9],[N:1]([O:7][C@:6]1([H:12])[C:2](=[O:3])[C:4]([H:10])([H:11])[O:5]1)([H:8])[H:9],"InChI=1S/C3H5NO3/c4-3(6)1-7-2-5/h2H,1H2,(H2,4,6)","InChI=1S/C3H5NO3/c4-7-3-2(5)1-6-3/h3H,1,4H2/t3-/m1/s1",116.63857,81.72791,
13700,[N:1]([C:2](=[O:3])[C:4]([O:5][C:6](=[O:7])[H:12])([H:10])[H:11])([H:8])[H:9],[N:1]([C:2](=[O:3])[C:4]([O:5][C-:6]=[O+:7][H:12])([H:10])[H:11])([H:8])[H:9],"InChI=1S/C3H5NO3/c4-3(6)1-7-2-5/h2H,1H2,(H2,4,6)","InChI=1S/C3H5NO3/c4-3(6)1-7-2-5/h5H,1H2,(H2,4,6)",75.82927,45.62631,
13701,[N:1]([C:2](=[O:3])[C:4]([O:5][C:6](=[O:7])[H:12])([H:10])[H:11])([H:8])[H:9],[C-:6]#[O+:7].[N:1]([C:2](=[O:3])[C:4]([O:5][H:12])([H:10])[H:11])([H:8])[H:9],"InChI=1S/C3H5NO3/c4-3(6)1-7-2-5/h2H,1H2,(H2,4,6)","InChI=1S/C2H5NO2.CO/c3-2(5)1-4;1-2/h4H,1H2,(H2,3,5);",51.51079,8.48557,"1,2_Insertion_CO"
13702,[N:1]([C:2](=[O:3])[C:4]([O:5][C:6](=[O:7])[H:12])([H:10])[H:11])([H:8])[H:9],[N:1]([C:4]([C:2](=[O:3])[O:7][C:6](=[O:5])[H:12])([H:10])[H:11])([H:8])[H:9],"InChI=1S/C3H5NO3/c4-3(6)1-7-2-5/h2H,1H2,(H2,4,6)","InChI=1S/C3H5NO3/c4-1-3(6)7-2-5/h2H,1,4H2",68.58771,12.931519999999999,
13703,[N:1]([C:2](=[O:3])[C:4]([O:5][C:6](=[O:7])[H:12])([H:10])[H:11])([H:8])[H:9],[C:4]([O:5][C:6](=[O:7])[H:12])([H:9])([H:10])[H:11].[N:1](=[C:2]=[O:3])[H:8],"InChI=1S/C3H5NO3/c4-3(6)1-7-2-5/h2H,1H2,(H2,4,6)","InChI=1S/C2H4O2.CHNO/c1-4-2-3;2-1-3/h2H,1H3;2H",74.44801,11.497710000000001,
13704,[N:1]([C:2](=[O:3])[C:4]([O:5][C:6](=[O:7])[H:12])([H:10])[H:11])([H:8])[H:9],[C:4](=[O:5])([H:10])[H:11].[N:1]([C-:2]=[O+:3][C:6](=[O:7])[H:12])([H:8])[H:9],"InChI=1S/C3H5NO3/c4-3(6)1-7-2-5/h2H,1H2,(H2,4,6)","InChI=1S/C2H3NO2.CH2O/c3-1-5-2-4;1-2/h2H,3H2;1H2",63.343219999999995,72.29653,
13705,[N:1]([C:2](=[O:3])[C:4]([O:5][C:6](=[O:7])[H:12])([H:10])[H:11])([H:8])[H:9],[N:1]([C:2](=[O:3])[O:7][C:6](=[O+:5][C-:4]([H:10])[H:11])[H:12])([H:8])[H:9],"InChI=1S/C3H5NO3/c4-3(6)1-7-2-5/h2H,1H2,(H2,4,6)","InChI=1S/C3H5NO3/c1-6-2-7-3(4)5/h2H,1H2,(H2,4,5)",74.29383,67.71417,
13706,[N:1]([C:2](=[O:3])[C:4]([O:5][C:6](=[O:7])[H:12])([H:10])[H:11])([H:8])[H:9],[N:1]([C@:6]1([H:12])[O:5][C:4]([H:10])([H:11])[C:2](=[O:3])[O:7]1)([H:8])[H:9],"InChI=1S/C3H5NO3/c4-3(6)1-7-2-5/h2H,1H2,(H2,4,6)","InChI=1S/C3H5NO3/c4-3-6-1-2(5)7-3/h3H,1,4H2/t3-/m1/s1",50.211209999999994,14.39052,
13707,[N:1]([C:2](=[O:3])[C:4]([O:5][C:6](=[O:7])[H:12])([H:10])[H:11])([H:8])[H:9],[N:1]([C:2](=[O:3])[C:4]([H:10])[H:11])([H:8])[H:9].[O:5]=[C:6]([O:7])[H:12],"InChI=1S/C3H5NO3/c4-3(6)1-7-2-5/h2H,1H2,(H2,4,6)","InChI=1S/C2H4NO.CHO2/c1-2(3)4;2-1-3/h1H2,(H2,3,4);1H",76.98541999999999,79.32168,
13708,[N:1]([C:2](=[O:3])[C:4]([O:5][C:6](=[O:7])[H:12])([H:10])[H:11])([H:8])[H:9],[N:1]([C@:2]12[O:3][O:7][C@@:6]1([H:12])[O:5][C:4]2([H:10])[H:11])([H:8])[H:9],"InChI=1S/C3H5NO3/c4-3(6)1-7-2-5/h2H,1H2,(H2,4,6)","InChI=1S/C3H5NO3/c4-3-1-5-2(3)6-7-3/h2H,1,4H2/t2-,3-/m1/s1",124.93328999999999,116.38949,
13709,[N:1]([C:2](=[O:3])[C:4]([O:5][C:6](=[O:7])[H:12])([H:10])[H:11])([H:8])[H:9],[N:1]1([H:9])[C@@:2]2([O:3]1)[C:4]([H:10])([H:11])[O:5][C:6]([H:8])([H:12])[O:7]2,"InChI=1S/C3H5NO3/c4-3(6)1-7-2-5/h2H,1H2,(H2,4,6)","InChI=1S/C3H5NO3/c1-3(4-7-3)6-2-5-1/h4H,1-2H2/t3-/m0/s1",113.50437,85.13971,
13710,[C:1]([C:2]([O:3][C@@:4]([C:5]([H:14])([H:15])[H:16])([C:6](=[O:7])[H:17])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2](=[O:3])[H:12])([H:8])([H:9])[H:10].[C:4](\[C:5]([H:14])([H:15])[H:16])(=[C:6](/[O:7][H:11])[H:17])[H:13],"InChI=1S/C5H10O2/c1-3-7-5(2)4-6/h4-5H,3H2,1-2H3/t5-/m0/s1","InChI=1S/C3H6O.C2H4O/c1-2-3-4;1-2-3/h2-4H,1H3;2H,1H3/b3-2+;",39.89764,7.75438,Retroene
13711,[C:1]([C:2]([O:3][C@@:4]([C:5]([H:14])([H:15])[H:16])([C:6](=[O:7])[H:17])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([O:3]/[C:4](=[C:6](/[O:7][C:5]([H:14])([H:15])[H:16])[H:17])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-3-7-5(2)4-6/h4-5H,3H2,1-2H3/t5-/m0/s1","InChI=1S/C5H10O2/c1-3-7-5-4-6-2/h4-5H,3H2,1-2H3/b5-4+",76.3015,17.86068,ketoenol
13712,[C:1]([C:2]([O:3][C@@:4]([C:5]([H:14])([H:15])[H:16])([C:6](=[O:7])[H:17])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](=[C:2]([H:11])[H:12])([H:8])[H:10].[H:9][H:13].[O:3]=[C:4]([C:5]([H:14])([H:15])[H:16])[C:6](=[O:7])[H:17],"InChI=1S/C5H10O2/c1-3-7-5(2)4-6/h4-5H,3H2,1-2H3/t5-/m0/s1","InChI=1S/C3H4O2.C2H4.H2/c1-3(5)2-4;1-2;/h2H,1H3;1-2H2;1H",53.324040000000004,32.033,
13713,[C:1]([C:2]([O:3][C@@:4]([C:5]([H:14])([H:15])[H:16])([C:6](=[O:7])[H:17])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([O:3][C@:6]1([H:17])[C@:4]([C:5]([H:14])([H:15])[H:16])([H:13])[O:7]1)([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-3-7-5(2)4-6/h4-5H,3H2,1-2H3/t5-/m0/s1","InChI=1S/C5H10O2/c1-3-6-5-4(2)7-5/h4-5H,3H2,1-2H3/t4-,5+/m1/s1",57.58987,15.306329999999999,
13714,[C:1]([C:2]([O:3][C@@:4]([C:5]([H:14])([H:15])[H:16])([C:6](=[O:7])[H:17])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([O:3][C@@:4]1([H:13])[C:5]([H:14])([H:16])[C@:6]1([O:7][H:15])[H:17])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-3-7-5(2)4-6/h4-5H,3H2,1-2H3/t5-/m0/s1","InChI=1S/C5H10O2/c1-2-7-5-3-4(5)6/h4-6H,2-3H2,1H3/t4-,5+/m1/s1",75.62504,18.17012,
13715,[C:1]([C:2]([O:3][C@@:4]([C:5]([H:14])([H:15])[H:16])([C:6](=[O:7])[H:17])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:13].[C:2](=[O+:3][C:4]([C:5]([H:14])([H:15])[H:16])=[C:6]([O-:7])[H:17])([H:11])[H:12],"InChI=1S/C5H10O2/c1-3-7-5(2)4-6/h4-5H,3H2,1-2H3/t5-/m0/s1","InChI=1S/C4H6O2.CH4/c1-4(3-5)6-2;/h3H,2H2,1H3;1H4",70.0338,43.328140000000005,
13716,[C:1]([C:2]([O:3][C@@:4]([C:5]([H:14])([H:15])[H:16])([C:6](=[O:7])[H:17])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([O:3][H:15])([H:11])[H:12])([H:8])([H:9])[H:10].[C:4](=[C:5]([H:14])[H:16])([C:6](=[O:7])[H:17])[H:13],"InChI=1S/C5H10O2/c1-3-7-5(2)4-6/h4-5H,3H2,1-2H3/t5-/m0/s1","InChI=1S/C3H4O.C2H6O/c1-2-3-4;1-2-3/h2-3H,1H2;3H,2H2,1H3",56.12673,10.9533,"1,3_Insertion_ROR"
13717,[C:1]([C:2]([O:3][C@@:4]([C:5]([H:14])([H:15])[H:16])([C:6](=[O:7])[H:17])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:7]/[C:6](=[C:4](/[C:5]([H:14])([H:15])[H:16])[H:13])[H:17])([H:8])([H:9])[H:10].[C:2](=[O:3])([H:11])[H:12],"InChI=1S/C5H10O2/c1-3-7-5(2)4-6/h4-5H,3H2,1-2H3/t5-/m0/s1","InChI=1S/C4H8O.CH2O/c1-3-4-5-2;1-2/h3-4H,1-2H3;1H2/b4-3+;",81.65389,27.574040000000004,
13718,[C:1]([C:2]([O:3][C@@:4]([C:5]([H:14])([H:15])[H:16])([C:6](=[O:7])[H:17])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([O:3][O:7]/[C:6](=[C:4](/[C:5]([H:14])([H:15])[H:16])[H:13])[H:17])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-3-7-5(2)4-6/h4-5H,3H2,1-2H3/t5-/m0/s1","InChI=1S/C5H10O2/c1-3-5-7-6-4-2/h3,5H,4H2,1-2H3/b5-3+",73.30286,59.3095,ketoenol
13719,[C:1]([C:2]([O:3][C@@:4]([C:5]([H:14])([H:15])[H:16])([C:6](=[O:7])[H:17])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([O:3]/[C:4]([C:5]([H:14])([H:15])[H:16])=[C:6](/[O:7][H:13])[H:17])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-3-7-5(2)4-6/h4-5H,3H2,1-2H3/t5-/m0/s1","InChI=1S/C5H10O2/c1-3-7-5(2)4-6/h4,6H,3H2,1-2H3/b5-4+",65.51201,3.4910300000000003,ketoenol
13720,[C:1]([C:2]([O:3][C@@:4]([C:5]([H:14])([H:15])[H:16])([C:6](=[O:7])[H:17])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([O+:3]=[C:4]=[C:6]([O-:7])[H:17])([H:11])[H:12])([H:8])([H:9])[H:10].[C:5]([H:13])([H:14])([H:15])[H:16],"InChI=1S/C5H10O2/c1-3-7-5(2)4-6/h4-5H,3H2,1-2H3/t5-/m0/s1","InChI=1S/C4H6O2.CH4/c1-2-6-4-3-5;/h3H,2H2,1H3;1H4",64.55825,56.68846,
13721,[C:1]([C:2]([O:3][C@@:4]([C:5]([H:14])([H:15])[H:16])([C:6](=[O:7])[H:17])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])[H:10].[C:2]([O:3][C:4]([C:5]([H:14])([H:15])[H:16])=[C:6]([O:7])[H:17])([H:11])([H:12])[H:13],"InChI=1S/C5H10O2/c1-3-7-5(2)4-6/h4-5H,3H2,1-2H3/t5-/m0/s1","InChI=1S/C4H7O2.CH3/c1-4(3-5)6-2;/h3H,1-2H3;1H3",101.16705999999999,65.75516999999999,
13722,[C:1]([C:2]([O:3][C@@:4]([C:5]([H:14])([H:15])[H:16])([C:6](=[O:7])[H:17])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](=[C:2]([H:11])[H:12])([H:8])[H:10].[C:6](=[O:7])([H:9])[H:17].[O:3]=[C:4]([C:5]([H:14])([H:15])[H:16])[H:13],"InChI=1S/C5H10O2/c1-3-7-5(2)4-6/h4-5H,3H2,1-2H3/t5-/m0/s1","InChI=1S/C2H4O.C2H4.CH2O/c1-2-3;2*1-2/h2H,1H3;1-2H2;1H2",66.00004,31.8634,
13723,[C:1]([C:2]([O:3][C@@:4]([C:5]([H:14])([H:15])[H:16])([C:6](=[O:7])[H:17])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([O:3][C@@:4]([C:5]([H:14])([H:15])[H:16])([O+:7]=[C-:6][H:17])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-3-7-5(2)4-6/h4-5H,3H2,1-2H3/t5-/m0/s1","InChI=1S/C5H10O2/c1-4-7-5(2)6-3/h3,5H,4H2,1-2H3/t5-/m0/s1",91.07262,61.44497,
13724,[C:1]([C:2]([O:3][C@@:4]([C:5]([H:14])([H:15])[H:16])([C:6](=[O:7])[H:17])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C-:6]#[O+:7].[C:1]([C:2]([O:3][C:4](=[C:5]([H:14])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10].[H:15][H:17],"InChI=1S/C5H10O2/c1-3-7-5(2)4-6/h4-5H,3H2,1-2H3/t5-/m0/s1","InChI=1S/C4H8O.CO.H2/c1-3-5-4-2;1-2;/h3H,1,4H2,2H3;;1H",56.83334,26.67618,
13725,[C:1]([C:2]([O:3][C@@:4]([C:5]([H:14])([H:15])[H:16])([C:6](=[O:7])[H:17])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([O:3][C@@:4]([C:5]([H:14])([H:15])[H:16])([C:6][O:7][H:17])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-3-7-5(2)4-6/h4-5H,3H2,1-2H3/t5-/m0/s1","InChI=1S/C5H10O2/c1-3-7-5(2)4-6/h5-6H,3H2,1-2H3/t5-/m0/s1",81.43239,55.64235,
13726,[C:1]([C:2]([O:3][C@@:4]([C:5]([H:14])([H:15])[H:16])([C:6](=[O:7])[H:17])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C-:2](=[O+:3][C@@:4]([C:5]([H:14])([H:15])[H:16])([C:6](=[O:7])[H:17])[H:13])[H:12].[C:1]([H:8])([H:9])([H:10])[H:11],"InChI=1S/C5H10O2/c1-3-7-5(2)4-6/h4-5H,3H2,1-2H3/t5-/m0/s1","InChI=1S/C4H6O2.CH4/c1-4(3-5)6-2;/h2-4H,1H3;1H4/t4-;/m0./s1",74.45215,65.54725,
13727,[C:1]([C:2]([O:3][C@@:4]([C:5]([H:14])([H:15])[H:16])([C:6](=[O:7])[H:17])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2](=[O+:3][C:4]([C:5]([H:14])([H:15])[H:16])=[C:6]([O-:7])[H:17])[H:12])([H:8])([H:9])[H:10].[H:11][H:13],"InChI=1S/C5H10O2/c1-3-7-5(2)4-6/h4-5H,3H2,1-2H3/t5-/m0/s1","InChI=1S/C5H8O2.H2/c1-3-7-5(2)4-6;/h3-4H,1-2H3;1H",52.81544,44.29215,
13728,[C:1]([C:2]([O:3][C@@:4]([C:5]([H:14])([H:15])[H:16])([C:6](=[O:7])[H:17])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:3][C:2]([O:7]/[C:6](=[C:4](/[C:5]([H:14])([H:15])[H:16])[H:13])[H:17])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-3-7-5(2)4-6/h4-5H,3H2,1-2H3/t5-/m0/s1","InChI=1S/C5H10O2/c1-3-4-7-5-6-2/h3-4H,5H2,1-2H3/b4-3+",88.87006,16.07045,
13729,[C:1]([C:2]([O:3][C@@:4]([C:5]([H:14])([H:15])[H:16])([C:6](=[O:7])[H:17])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](=[C:2]([H:11])[H:12])([H:8])[H:9].[O:3]([C@@:4]([C:5]([H:14])([H:15])[H:16])([C:6](=[O:7])[H:17])[H:13])[H:10],"InChI=1S/C5H10O2/c1-3-7-5(2)4-6/h4-5H,3H2,1-2H3/t5-/m0/s1","InChI=1S/C3H6O2.C2H4/c1-3(5)2-4;1-2/h2-3,5H,1H3;1-2H2/t3-;/m0./s1",57.92145,15.73859,"1,3_Insertion_ROR"
13730,[N:1]([c:2]1[n:3][n:4][c:5]([N:6]([H:10])[H:11])[o:7]1)([H:8])[H:9],[N:1]([C@@:2]1([H:10])[N:3]=[N:4]/[C:5](=[N:6]\[H:11])[O:7]1)([H:8])[H:9],"InChI=1S/C2H4N4O/c3-1-5-6-2(4)7-1/h(H2,3,5)(H2,4,6)","InChI=1S/C2H4N4O/c3-1-5-6-2(4)7-1/h1,4H,3H2/b4-2+/t1-/m0/s1",88.4078,23.57227,
13731,[N:1]([c:2]1[n:3][n:4][c:5]([N:6]([H:10])[H:11])[o:7]1)([H:8])[H:9],[N:1]([N:3]=[C:2]=[O:7])([H:8])[H:9].[N:4]#[C:5][N:6]([H:10])[H:11],"InChI=1S/C2H4N4O/c3-1-5-6-2(4)7-1/h(H2,3,5)(H2,4,6)",InChI=1S/CH2N2O.CH2N2/c2-3-1-4;2-1-3/h2H2;2H2,55.40869,29.035220000000002,
13732,[N:1]([c:2]1[n:3][n:4][c:5]([N:6]([H:10])[H:11])[o:7]1)([H:8])[H:9],[N:1](=[c:2]1/[n:3]([H:9])[n:4][c:5]([N:6]([H:10])[H:11])[o:7]1)\[H:8],"InChI=1S/C2H4N4O/c3-1-5-6-2(4)7-1/h(H2,3,5)(H2,4,6)","InChI=1S/C2H4N4O/c3-1-5-6-2(4)7-1/h(H2,3,5)(H2,4,6)",52.360209999999995,2.3315200000000003,
13733,[N:1]([c:2]1[n:3][n:4][c:5]([N:6]([H:10])[H:11])[o:7]1)([H:8])[H:9],[N:1]([C:2]([N:3]1[N:4]=[C:5]1[N:6]([H:10])[H:11])=[O:7])([H:8])[H:9],"InChI=1S/C2H4N4O/c3-1-5-6-2(4)7-1/h(H2,3,5)(H2,4,6)","InChI=1S/C2H4N4O/c3-1-5-6(1)2(4)7/h(H2,3,5)(H2,4,7)",50.69583,27.889979999999998,ketoenol
13734,[N:1]([c:2]1[n:3][n:4][c:5]([N:6]([H:10])[H:11])[o:7]1)([H:8])[H:9],[N+:1]([C:2]1=[N:3][N-:4][C:5](=[N:6][H:11])[O:7]1)([H:8])([H:9])[H:10],"InChI=1S/C2H4N4O/c3-1-5-6-2(4)7-1/h(H2,3,5)(H2,4,6)","InChI=1S/C2H3N4O/c3-1-5-6-2(4)7-1/h(H3-,3,4,5,6)/q-1/p+1",97.61983000000001,56.50475,
13735,[N:1]([c:2]1[n:3][n:4][c:5]([N:6]([H:10])[H:11])[o:7]1)([H:8])[H:9],[C:5]=[N:6][H:11].[N:1]([C:2](=[O:7])[H:10])([H:8])[H:9].[N:3]#[N:4],"InChI=1S/C2H4N4O/c3-1-5-6-2(4)7-1/h(H2,3,5)(H2,4,6)","InChI=1S/CH3NO.CHN.N2/c2-1-3;2*1-2/h1H,(H2,2,3);2H;",68.20036999999999,3.4247699999999996,
13736,[N:1]([c:2]1[n:3][n:4][c:5]([N:6]([H:10])[H:11])[o:7]1)([H:8])[H:9],[N+:1](=[C:2]=[C:5]([N:6]([H:10])[H:11])[O-:7])([H:8])[H:9].[N:3]#[N:4],"InChI=1S/C2H4N4O/c3-1-5-6-2(4)7-1/h(H2,3,5)(H2,4,6)","InChI=1S/C2H4N2O.N2/c3-1-2(4)5;1-2/h3,5H,4H2;",60.69633,-1.47583,
13737,[N:1]([c:2]1[n:3][n:4][c:5]([N:6]([H:10])[H:11])[o:7]1)([H:8])[H:9],[N:1]([N:4]([N+:3]#[C-:2])[C:5]([N:6]([H:10])[H:11])=[O:7])([H:8])[H:9],"InChI=1S/C2H4N4O/c3-1-5-6-2(4)7-1/h(H2,3,5)(H2,4,6)","InChI=1S/C2H4N4O/c1-5-6(4)2(3)7/h4H2,(H2,3,7)",94.54688,58.959419999999994,
13738,[N:1]([c:2]1[n:3][n:4][c:5]([N:6]([H:10])[H:11])[o:7]1)([H:8])[H:9],[N:1]([C-:2]=[O+:7][C:5][N:6]([H:10])[H:11])([H:8])[H:9].[N:3]#[N:4],"InChI=1S/C2H4N4O/c3-1-5-6-2(4)7-1/h(H2,3,5)(H2,4,6)",InChI=1S/C2H4N2O.N2/c3-1-5-2-4;1-2/h3-4H2;,68.02813,51.2431,
13739,[N:1]([c:2]1[n:3][n:4][c:5]([N:6]([H:10])[H:11])[o:7]1)([H:8])[H:9],[N:1]([C:5](=[N:4][N:3]=[C:2]=[O:7])[N:6]([H:10])[H:11])([H:8])[H:9],"InChI=1S/C2H4N4O/c3-1-5-6-2(4)7-1/h(H2,3,5)(H2,4,6)","InChI=1S/C2H4N4O/c3-2(4)6-5-1-7/h(H4,3,4,6)",40.10032,-3.22264,
13740,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:4]1([C:5]([C:6](=[O:7])[H:17])([H:15])[H:16])[H:14])([H:8])([H:9])[H:10],[C:1](=[C:2]([C:3](/[C:4](=[C:5](\[C:6](=[O:7])[H:17])[H:15])[H:14])([H:12])[H:13])[H:11])([H:8])[H:10].[H:9][H:16],"InChI=1S/C6H10O/c1-5-4-6(5)2-3-7/h3,5-6H,2,4H2,1H3/t5-,6+/m0/s1","InChI=1S/C6H8O.H2/c1-2-3-4-5-6-7;/h2,4-6H,1,3H2;1H/b5-4-;",47.46865,21.357120000000002,
13741,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:4]1([C:5]([C:6](=[O:7])[H:17])([H:15])[H:16])[H:14])([H:8])([H:9])[H:10],[C:1]1([H:9])=[O+:7][C-:6]([H:17])[C:5]([H:15])([H:16])[C@@:4]2([H:14])[C@:2]1([H:11])[C:3]2([H:12])[H:13].[H:8][H:10],"InChI=1S/C6H10O/c1-5-4-6(5)2-3-7/h3,5-6H,2,4H2,1H3/t5-,6+/m0/s1","InChI=1S/C6H8O.H2/c1-2-7-4-6-3-5(1)6;/h2,4-6H,1,3H2;1H/t5-,6-;/m1./s1",104.26349,68.61399,
13742,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:4]1([C:5]([C:6](=[O:7])[H:17])([H:15])[H:16])[H:14])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]([H:12])[H:13])[H:11])([H:8])([H:9])[H:10].[C:4](=[C:5]([H:15])[H:16])([C:6](=[O:7])[H:17])[H:14],"InChI=1S/C6H10O/c1-5-4-6(5)2-3-7/h3,5-6H,2,4H2,1H3/t5-,6+/m0/s1","InChI=1S/C3H4O.C3H6/c1-2-3-4;1-3-2/h2-3H,1H2;3H,1H2,2H3",56.722730000000006,11.32673,
13743,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:4]1([C:5]([C:6](=[O:7])[H:17])([H:15])[H:16])[H:14])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:4]1(/[C:5](=[C:6](\[O:7][H:16])[H:17])[H:15])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-5-4-6(5)2-3-7/h3,5-6H,2,4H2,1H3/t5-,6+/m0/s1","InChI=1S/C6H10O/c1-5-4-6(5)2-3-7/h2-3,5-7H,4H2,1H3/b3-2-/t5-,6+/m0/s1",66.34876,1.99491,ketoenol
13744,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:4]1([C:5]([C:6](=[O:7])[H:17])([H:15])[H:16])[H:14])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([C:4][C:5]([C:6](=[O:7])[H:17])([H:15])[H:16])([H:12])[H:13])([H:11])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-5-4-6(5)2-3-7/h3,5-6H,2,4H2,1H3/t5-,6+/m0/s1","InChI=1S/C6H10O/c1-2-3-4-5-6-7/h6H,2-3,5H2,1H3",68.01878,68.70435,
13745,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:4]1([C:5]([C:6](=[O:7])[H:17])([H:15])[H:16])[H:14])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:4]1([C:5]([O+:7]=[C-:6][H:17])([H:15])[H:16])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-5-4-6(5)2-3-7/h3,5-6H,2,4H2,1H3/t5-,6+/m0/s1","InChI=1S/C6H10O/c1-5-3-6(5)4-7-2/h2,5-6H,3-4H2,1H3/t5-,6-/m0/s1",106.12482,67.68285999999999,
13746,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:4]1([C:5]([C:6](=[O:7])[H:17])([H:15])[H:16])[H:14])([H:8])([H:9])[H:10],[C:1]1([H:8])([H:10])[C@:2]2([H:11])[C:3]([H:12])([H:13])[C@:4]2([H:14])[C:5]([H:15])([H:16])[C:6]1=[O:7].[H:9][H:17],"InChI=1S/C6H10O/c1-5-4-6(5)2-3-7/h3,5-6H,2,4H2,1H3/t5-,6+/m0/s1","InChI=1S/C6H8O.H2/c7-6-2-4-1-5(4)3-6;/h4-5H,1-3H2;1H/t4-,5+;",80.19706,7.79213,
13747,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:4]1([C:5]([C:6](=[O:7])[H:17])([H:15])[H:16])[H:14])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:4]([O+:7]=[C-:6][H:17])([H:14])[C:5]1([H:15])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-5-4-6(5)2-3-7/h3,5-6H,2,4H2,1H3/t5-,6+/m0/s1","InChI=1S/C6H10O/c1-5-3-6(4-5)7-2/h2,5-6H,3-4H2,1H3/t5-,6+",95.25184,62.08494,
13748,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:4]1([C:5]([C:6](=[O:7])[H:17])([H:15])[H:16])[H:14])([H:8])([H:9])[H:10],[C:1]([C:2]1([H:11])[C:3]([H:12])([H:13])[C:4]1([H:14])[H:16])([H:8])([H:9])[H:10].[C:5](=[C:6]=[O:7])([H:15])[H:17],"InChI=1S/C6H10O/c1-5-4-6(5)2-3-7/h3,5-6H,2,4H2,1H3/t5-,6+/m0/s1","InChI=1S/C4H8.C2H2O/c1-4-2-3-4;1-2-3/h4H,2-3H2,1H3;1H2",75.97202,15.293529999999999,
13749,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:4]1([C:5]([C:6](=[O:7])[H:17])([H:15])[H:16])[H:14])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:4]1([H:14])[C:3]([H:12])=[O+:7][C-:6]([H:17])[C:5]1([H:15])[H:16])([H:11])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-5-4-6(5)2-3-7/h3,5-6H,2,4H2,1H3/t5-,6+/m0/s1","InChI=1S/C6H10O/c1-2-6-3-4-7-5-6/h4-6H,2-3H2,1H3/t6-/m1/s1",69.169,40.71014,
13750,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:4]1([C:5]([C:6](=[O:7])[H:17])([H:15])[H:16])[H:14])([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:4](\[C:3]([O:7][C:6](=[C:5]([H:15])[H:16])[H:17])([H:12])[H:13])[H:14])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-5-4-6(5)2-3-7/h3,5-6H,2,4H2,1H3/t5-,6+/m0/s1","InChI=1S/C6H10O/c1-3-5-6-7-4-2/h3-5H,2,6H2,1H3/b5-3-",58.91019,8.55412,
13751,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:4]1([C:5]([C:6](=[O:7])[H:17])([H:15])[H:16])[H:14])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C@:3]2([H:12])[C@@:4]1([H:14])[C:5]([H:15])([H:16])[C@:6]2([O:7][H:13])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-5-4-6(5)2-3-7/h3,5-6H,2,4H2,1H3/t5-,6+/m0/s1","InChI=1S/C6H10O/c1-3-4-2-5(7)6(3)4/h3-7H,2H2,1H3/t3-,4+,5-,6-/m1/s1",88.93625,17.43525,
13752,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:4]1([C:5]([C:6](=[O:7])[H:17])([H:15])[H:16])[H:14])([H:8])([H:9])[H:10],[C:1]([C:2][C:3]([C:4]([C:5]([C:6](=[O:7])[H:17])([H:15])[H:16])([H:11])[H:14])([H:12])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-5-4-6(5)2-3-7/h3,5-6H,2,4H2,1H3/t5-,6+/m0/s1","InChI=1S/C6H10O/c1-2-3-4-5-6-7/h6H,3-5H2,1H3",66.26468,69.72099,
13753,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:4]1([C:5]([C:6](=[O:7])[H:17])([H:15])[H:16])[H:14])([H:8])([H:9])[H:10],[C:1]([C@@:2]([C:3]([C:4](=[C:5]([H:15])[H:16])[H:14])([H:12])[H:13])([C:6](=[O:7])[H:17])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-5-4-6(5)2-3-7/h3,5-6H,2,4H2,1H3/t5-,6+/m0/s1","InChI=1S/C6H10O/c1-3-4-6(2)5-7/h3,5-6H,1,4H2,2H3/t6-/m0/s1",58.605109999999996,-5.91542,
13754,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:4]1([C:5]([C:6](=[O:7])[H:17])([H:15])[H:16])[H:14])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]1=[C:5]([H:15])[H:16])([H:8])([H:9])[H:10].[C:6](=[O:7])([H:14])[H:17],"InChI=1S/C6H10O/c1-5-4-6(5)2-3-7/h3,5-6H,2,4H2,1H3/t5-,6+/m0/s1","InChI=1S/C5H8.CH2O/c1-4-3-5(4)2;1-2/h5H,1,3H2,2H3;1H2/t5-;/m0./s1",73.33851,34.95986,
13755,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:4]1([C:5]([C:6](=[O:7])[H:17])([H:15])[H:16])[H:14])([H:8])([H:9])[H:10],[C:1]([C:2][C@@:4]([C:3]([H:11])([H:12])[H:13])([C:5]([C:6](=[O:7])[H:17])([H:15])[H:16])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-5-4-6(5)2-3-7/h3,5-6H,2,4H2,1H3/t5-,6+/m0/s1","InChI=1S/C6H10O/c1-3-6(2)4-5-7/h5-6H,4H2,1-2H3/t6-/m1/s1",66.62664000000001,68.05696,
13756,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:4]1([C:5]([C:6](=[O:7])[H:17])([H:15])[H:16])[H:14])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C:4][C:5]([C:6](=[O:7])[H:17])([H:15])[H:16])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-5-4-6(5)2-3-7/h3,5-6H,2,4H2,1H3/t5-,6+/m0/s1","InChI=1S/C6H10O/c1-6(2)4-3-5-7/h5-6H,3H2,1-2H3",66.59306,66.78902,
13757,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:4]1([C:5]([C:6](=[O:7])[H:17])([H:15])[H:16])[H:14])([H:8])([H:9])[H:10],[C:1]([C@@:2]([C:3]([C:6](=[O:7])[H:17])([H:12])[H:13])([C:4](=[C:5]([H:15])[H:16])[H:14])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-5-4-6(5)2-3-7/h3,5-6H,2,4H2,1H3/t5-,6+/m0/s1","InChI=1S/C6H10O/c1-3-6(2)4-5-7/h3,5-6H,1,4H2,2H3/t6-/m1/s1",58.556569999999994,-4.404730000000001,
13758,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:4]1([C:5]([C:6](=[O:7])[H:17])([H:15])[H:16])[H:14])([H:8])([H:9])[H:10],[C-:6]#[O+:7].[C:1]([C:2]([C:3]([H:12])([H:13])[H:17])([C:4](=[C:5]([H:15])[H:16])[H:14])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-5-4-6(5)2-3-7/h3,5-6H,2,4H2,1H3/t5-,6+/m0/s1","InChI=1S/C5H10.CO/c1-4-5(2)3;1-2/h4-5H,1H2,2-3H3;",47.32978,-7.99407,
13759,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:4]1([C:5]([C:6](=[O:7])[H:17])([H:15])[H:16])[H:14])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:4]1([O:7][C:6](=[C:5]([H:15])[H:16])[H:17])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-5-4-6(5)2-3-7/h3,5-6H,2,4H2,1H3/t5-,6+/m0/s1","InChI=1S/C6H10O/c1-3-7-6-4-5(6)2/h3,5-6H,1,4H2,2H3/t5-,6+/m0/s1",79.09829,14.2939,ketoenol
13760,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:4]1([C:5]([C:6](=[O:7])[H:17])([H:15])[H:16])[H:14])([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:3]([C:4](=[C:5](\[C:6](=[O:7])[H:17])[H:15])\[H:14])/[H:12])[H:11])([H:8])([H:9])[H:10].[H:13][H:16],"InChI=1S/C6H10O/c1-5-4-6(5)2-3-7/h3,5-6H,2,4H2,1H3/t5-,6+/m0/s1","InChI=1S/C6H8O.H2/c1-2-3-4-5-6-7;/h2-6H,1H3;1H/b3-2-,5-4+;",84.28747,14.33862,
13761,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:4]1([C:5]([C:6](=[O:7])[H:17])([H:15])[H:16])[H:14])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])/[C:4]1=[C:5](/[C:6](=[O:7])[H:17])[H:15])([H:8])([H:9])[H:10].[H:14][H:16],"InChI=1S/C6H10O/c1-5-4-6(5)2-3-7/h3,5-6H,2,4H2,1H3/t5-,6+/m0/s1","InChI=1S/C6H8O.H2/c1-5-4-6(5)2-3-7;/h2-3,5H,4H2,1H3;1H/b6-2-;/t5-;/m0./s1",92.7879,30.4986,
13762,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:4]1([C:5]([C:6](=[O:7])[H:17])([H:15])[H:16])[H:14])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:13].[C:2]1([H:11])=[C:3]([H:12])[C:4]1([C:5]([C:6](=[O:7])[H:17])([H:15])[H:16])[H:14],"InChI=1S/C6H10O/c1-5-4-6(5)2-3-7/h3,5-6H,2,4H2,1H3/t5-,6+/m0/s1","InChI=1S/C5H6O.CH4/c6-4-3-5-1-2-5;/h1-2,4-5H,3H2;1H4",115.80706,41.01104,
13763,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:4]1([C:5]([C:6](=[O:7])[H:17])([H:15])[H:16])[H:14])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:4]1([C:5]([C:6][O:7][H:17])([H:15])[H:16])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-5-4-6(5)2-3-7/h3,5-6H,2,4H2,1H3/t5-,6+/m0/s1","InChI=1S/C6H10O/c1-5-4-6(5)2-3-7/h5-7H,2,4H2,1H3/t5-,6+/m0/s1",80.81636,55.97919,
13764,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:4]1([C:5]([C:6](=[O:7])[H:17])([H:15])[H:16])[H:14])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:11].[C:2]1[C:3]([H:12])([H:13])[C@:4]1([C:5]([C:6](=[O:7])[H:17])([H:15])[H:16])[H:14],"InChI=1S/C6H10O/c1-5-4-6(5)2-3-7/h3,5-6H,2,4H2,1H3/t5-,6+/m0/s1","InChI=1S/C5H6O.CH4/c6-4-3-5-1-2-5;/h4-5H,1,3H2;1H4/t5-;/m1./s1",88.28793,92.01725,
13765,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:4]1([C:5]([C:6](=[O:7])[H:17])([H:15])[H:16])[H:14])([H:8])([H:9])[H:10],[C:1]([C:2]1([H:11])[C:3]([H:12])=[C:4]1[H:14])([H:8])([H:9])[H:10].[C:5](=[C:6]([O:7][H:13])[H:17])([H:15])[H:16],"InChI=1S/C6H10O/c1-5-4-6(5)2-3-7/h3,5-6H,2,4H2,1H3/t5-,6+/m0/s1","InChI=1S/C4H6.C2H4O/c1-4-2-3-4;1-2-3/h2-4H,1H3;2-3H,1H2",64.08915999999999,50.66653,Retroene
13766,[O:1]=[C:2]1[N:3]([H:8])[C:4]([H:9])([H:10])[C@@:5]2([H:11])[C:6]([H:12])([H:13])[N:7]12,[O:1]=[C:2]1[N+:3]([H:8])([H:10])[C-:4]([H:9])[C@@:5]2([H:11])[C:6]([H:12])([H:13])[N:7]12,"InChI=1S/C4H6N2O/c7-4-5-1-3-2-6(3)4/h3H,1-2H2,(H,5,7)/t3-,6?/m0/s1","InChI=1S/C4H6N2O/c7-4-5-1-3-2-6(3)4/h1,3H,2,5H2/t3-,6?/m0/s1",86.01944,71.32552,
13767,[O:1]=[C:2]1[N:3]([H:8])[C:4]([H:9])([H:10])[C@@:5]2([H:11])[C:6]([H:12])([H:13])[N:7]12,[N:3]([C:4]([C:5]1=[N:7][C:6]1([H:12])[H:13])([H:9])[H:10])([H:8])[H:11].[O+:1]#[C-:2],"InChI=1S/C4H6N2O/c7-4-5-1-3-2-6(3)4/h3H,1-2H2,(H,5,7)/t3-,6?/m0/s1","InChI=1S/C3H6N2.CO/c4-1-3-2-5-3;1-2/h1-2,4H2;",92.21405,35.655840000000005,
13768,[O:1]=[C:2]1[N:3]([H:8])[C:4]([H:9])([H:10])[C@@:5]2([H:11])[C:6]([H:12])([H:13])[N:7]12,[O:1]=[C:2]1[N:3]([H:8])[C:4]([H:9])([H:10])[C@:5]1([N:7]=[C:6]([H:12])[H:13])[H:11],"InChI=1S/C4H6N2O/c7-4-5-1-3-2-6(3)4/h3H,1-2H2,(H,5,7)/t3-,6?/m0/s1","InChI=1S/C4H6N2O/c1-5-3-2-6-4(3)7/h3H,1-2H2,(H,6,7)/t3-/m1/s1",83.68369,5.5688699999999995,
13769,[O:1]=[C:2]1[N:3]([H:8])[C:4]([H:9])([H:10])[C@@:5]2([H:11])[C:6]([H:12])([H:13])[N:7]12,[O:1]1/[C:2](=[N:3]\[H:8])[N:7]1[C:6]([C:5](=[C:4]([H:9])[H:10])[H:11])([H:12])[H:13],"InChI=1S/C4H6N2O/c7-4-5-1-3-2-6(3)4/h3H,1-2H2,(H,5,7)/t3-,6?/m0/s1","InChI=1S/C4H6N2O/c1-2-3-6-4(5)7-6/h2,5H,1,3H2/b5-4-",72.11012,59.51777,
13770,[O:1]=[C:2]1[N:3]([H:8])[C:4]([H:9])([H:10])[C@@:5]2([H:11])[C:6]([H:12])([H:13])[N:7]12,[O:1]=[C:2]([N:3]([C:4]([C@@:5]1([H:11])[C:6]([H:12])=[N:7]1)([H:9])[H:10])[H:8])[H:13],"InChI=1S/C4H6N2O/c7-4-5-1-3-2-6(3)4/h3H,1-2H2,(H,5,7)/t3-,6?/m0/s1","InChI=1S/C4H6N2O/c7-3-5-1-4-2-6-4/h2-4H,1H2,(H,5,7)/t4-/m0/s1",86.49433,24.208660000000002,
13771,[O:1]=[C:2]1[N:3]([H:8])[C:4]([H:9])([H:10])[C@@:5]2([H:11])[C:6]([H:12])([H:13])[N:7]12,[O:1]=[C:2]1[N:3]([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])=[N+:7]1[C-:6]([H:12])[H:13],"InChI=1S/C4H6N2O/c7-4-5-1-3-2-6(3)4/h3H,1-2H2,(H,5,7)/t3-,6?/m0/s1","InChI=1S/C4H6N2O/c1-6-3-2-5-4(6)7/h3H,1-2H2,(H,5,7)",41.08285,14.98061,
13772,[O:1]=[C:2]1[N:3]([H:8])[C:4]([H:9])([H:10])[C@@:5]2([H:11])[C:6]([H:12])([H:13])[N:7]12,[O+:1]1=[C:2]([N:3]([C-:4]([H:9])[H:10])[H:8])[N:7]2[C@:5]1([H:11])[C:6]2([H:12])[H:13],"InChI=1S/C4H6N2O/c7-4-5-1-3-2-6(3)4/h3H,1-2H2,(H,5,7)/t3-,6?/m0/s1","InChI=1S/C4H6N2O/c1-5-4-6-2-3(6)7-4/h3,5H,1-2H2/t3-,6?/m0/s1",119.92781000000001,94.07072,
13773,[O:1]=[C:2]1[N:3]([H:8])[C:4]([H:9])([H:10])[C@@:5]2([H:11])[C:6]([H:12])([H:13])[N:7]12,[O:1]([C:2]1=[N+:7]2[C@@:5]([H:11])([C:4]([H:9])([H:10])[N:3]1[H:8])[C-:6]2[H:13])[H:12],"InChI=1S/C4H6N2O/c7-4-5-1-3-2-6(3)4/h3H,1-2H2,(H,5,7)/t3-,6?/m0/s1","InChI=1S/C4H6N2O/c7-4-5-1-3-2-6(3)4/h2-3,5,7H,1H2/t3-/m0/s1",113.56261,69.96486,
13774,[O:1]=[C:2]1[N:3]([H:8])[C:4]([H:9])([H:10])[C@@:5]2([H:11])[C:6]([H:12])([H:13])[N:7]12,[O-:1][C:2]([N+:3](=[C-:4][H:9])[H:8])=[N+:7]1[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13],"InChI=1S/C4H6N2O/c7-4-5-1-3-2-6(3)4/h3H,1-2H2,(H,5,7)/t3-,6?/m0/s1","InChI=1S/C4H6N2O/c1-5-4(7)6-2-3-6/h1,5H,2-3H2",85.67989,57.5217,
13775,[O:1]=[C:2]1[N:3]([H:8])[C:4]([H:9])([H:10])[C@@:5]2([H:11])[C:6]([H:12])([H:13])[N:7]12,[O:1]=[C:2]=[N:7][C:5]1([H:11])[C:4]([H:9])([H:10])[N:3]([H:8])[C:6]1([H:12])[H:13],"InChI=1S/C4H6N2O/c7-4-5-1-3-2-6(3)4/h3H,1-2H2,(H,5,7)/t3-,6?/m0/s1","InChI=1S/C4H6N2O/c7-3-6-4-1-5-2-4/h4-5H,1-2H2",60.941359999999996,4.96971,
13776,[O:1]=[C:2]1[N:3]([H:8])[C:4]([H:9])([H:10])[C@@:5]2([H:11])[C:6]([H:12])([H:13])[N:7]12,[O:1]=[C:2]1[N:3]([H:8])[C:4]([H:9])([H:10])[C@@:5]2([H:11])[C-:6]([H:13])[N+:7]12[H:12],"InChI=1S/C4H6N2O/c7-4-5-1-3-2-6(3)4/h3H,1-2H2,(H,5,7)/t3-,6?/m0/s1","InChI=1S/C4H6N2O/c7-4-5-1-3-2-6(3)4/h2-3,6H,1H2,(H,5,7)/t3-/m0/s1",61.88114,51.743759999999995,
13777,[O:1]=[C:2]1[N:3]([H:8])[C:4]([H:9])([H:10])[C@@:5]2([H:11])[C:6]([H:12])([H:13])[N:7]12,[C:5]1([H:11])=[N:7][C:6]1([H:12])[H:13].[O:1]=[C:2]1[N:3]([H:8])[C:4]1([H:9])[H:10],"InChI=1S/C4H6N2O/c7-4-5-1-3-2-6(3)4/h3H,1-2H2,(H,5,7)/t3-,6?/m0/s1","InChI=1S/C2H3NO.C2H3N/c4-2-1-3-2;1-2-3-1/h1H2,(H,3,4);1H,2H2",102.43890999999999,70.36616,
13778,[O:1]=[C:2]1[N:3]([H:8])[C:4]([H:9])([H:10])[C@@:5]2([H:11])[C:6]([H:12])([H:13])[N:7]12,[O:1]=[C:2]([N:7]1[C@:5](/[C:4](=[N:3]/[H:8])[H:10])([H:11])[C:6]1([H:12])[H:13])[H:9],"InChI=1S/C4H6N2O/c7-4-5-1-3-2-6(3)4/h3H,1-2H2,(H,5,7)/t3-,6?/m0/s1","InChI=1S/C4H6N2O/c5-1-4-2-6(4)3-7/h1,3-5H,2H2/b5-1+/t4-,6?/m0/s1",89.07033,18.92476,
13779,[O:1]=[C:2]1[N:3]([H:8])[C:4]([H:9])([H:10])[C@@:5]2([H:11])[C:6]([H:12])([H:13])[N:7]12,[O:1]=[C:2]1[N:3]([H:8])[C@:4]2([H:9])[C@@:5]([H:11])([C:6]2([H:12])[H:13])[N:7]1[H:10],"InChI=1S/C4H6N2O/c7-4-5-1-3-2-6(3)4/h3H,1-2H2,(H,5,7)/t3-,6?/m0/s1","InChI=1S/C4H6N2O/c7-4-5-2-1-3(2)6-4/h2-3H,1H2,(H2,5,6,7)/t2-,3+",92.11048000000001,-11.122110000000001,
13780,[O:1]=[C:2]1[N:3]([H:8])[C:4]([H:9])([H:10])[C@@:5]2([H:11])[C:6]([H:12])([H:13])[N:7]12,[O:1]=[C:2]=[N:7][C:6]([C@@:5]1([H:11])[N:3]([H:8])[C:4]1([H:9])[H:10])([H:12])[H:13],"InChI=1S/C4H6N2O/c7-4-5-1-3-2-6(3)4/h3H,1-2H2,(H,5,7)/t3-,6?/m0/s1","InChI=1S/C4H6N2O/c7-3-5-1-4-2-6-4/h4,6H,1-2H2/t4-/m1/s1",51.33227,4.4787,
13781,[O:1]=[C:2]1[N:3]([H:8])[C:4]([H:9])([H:10])[C@@:5]2([H:11])[C:6]([H:12])([H:13])[N:7]12,[O:1]=[C:2]=[N:7][C:6]([C:5](/[C:4](=[N:3]/[H:8])[H:10])([H:9])[H:11])([H:12])[H:13],"InChI=1S/C4H6N2O/c7-4-5-1-3-2-6(3)4/h3H,1-2H2,(H,5,7)/t3-,6?/m0/s1","InChI=1S/C4H6N2O/c5-2-1-3-6-4-7/h2,5H,1,3H2/b5-2+",49.79241,-14.6726,
13782,[O:1]=[C:2]1[N:3]([H:8])[C:4]([H:9])([H:10])[C@@:5]2([H:11])[C:6]([H:12])([H:13])[N:7]12,[O:1]([C:2]1=[N:3][C:4]([H:9])([H:10])[C@@:5]2([H:11])[C:6]([H:12])([H:13])[N:7]12)[H:8],"InChI=1S/C4H6N2O/c7-4-5-1-3-2-6(3)4/h3H,1-2H2,(H,5,7)/t3-,6?/m0/s1","InChI=1S/C4H6N2O/c7-4-5-1-3-2-6(3)4/h3H,1-2H2,(H,5,7)/t3-,6?/m0/s1",49.05816,11.21852,ketoenol
13783,[O:1]=[C:2]1[N:3]([H:8])[C:4]([H:9])([H:10])[C@@:5]2([H:11])[C:6]([H:12])([H:13])[N:7]12,[N:3](=[C:4]([H:9])[H:10])[H:8].[O:1]=[C:2]=[N:7][C:5](=[C:6]([H:12])[H:13])[H:11],"InChI=1S/C4H6N2O/c7-4-5-1-3-2-6(3)4/h3H,1-2H2,(H,5,7)/t3-,6?/m0/s1","InChI=1S/C3H3NO.CH3N/c1-2-4-3-5;1-2/h2H,1H2;2H,1H2",50.63326,9.78073,
13784,[O:1]=[C:2]1[N:3]([H:8])[C:4]([H:9])([H:10])[C@@:5]2([H:11])[C:6]([H:12])([H:13])[N:7]12,[O:1]1/[C:2](=[N:7]/[C:6]([C:5](=[C:4]([H:9])[H:10])[H:11])([H:12])[H:13])[N:3]1[H:8],"InChI=1S/C4H6N2O/c7-4-5-1-3-2-6(3)4/h3H,1-2H2,(H,5,7)/t3-,6?/m0/s1","InChI=1S/C4H6N2O/c1-2-3-5-4-6-7-4/h2H,1,3H2,(H,5,6)",69.67893000000001,65.46348,
13785,[O:1]=[C:2]1[N:3]([H:8])[C:4]([H:9])([H:10])[C@@:5]2([H:11])[C:6]([H:12])([H:13])[N:7]12,[O:1]=[C:2]1[N:3]([H:8])[C:4]([H:9])([H:10])[C-:5]2[C:6]([H:12])([H:13])[N+:7]12[H:11],"InChI=1S/C4H6N2O/c7-4-5-1-3-2-6(3)4/h3H,1-2H2,(H,5,7)/t3-,6?/m0/s1","InChI=1S/C4H6N2O/c7-4-5-1-3-2-6(3)4/h6H,1-2H2,(H,5,7)",62.32496999999999,48.69912,
13786,[O:1]=[C:2]1[N:3]([H:8])[C:4]([H:9])([H:10])[C@@:5]2([H:11])[C:6]([H:12])([H:13])[N:7]12,[C:5]1([H:11])=[N:7][C:6]1([H:12])[H:13].[N:3](=[C:4]([H:9])[H:10])[H:8].[O+:1]#[C-:2],"InChI=1S/C4H6N2O/c7-4-5-1-3-2-6(3)4/h3H,1-2H2,(H,5,7)/t3-,6?/m0/s1","InChI=1S/C2H3N.CH3N.CO/c1-2-3-1;2*1-2/h1H,2H2;2H,1H2;",77.99124,58.59848,
13787,[O:1]=[C:2]1[N:3]([H:8])[C:4]([H:9])([H:10])[C@@:5]2([H:11])[C:6]([H:12])([H:13])[N:7]12,[N:3](=[C:4](/[C@@:5]1([H:11])[C:6]([H:12])([H:13])[N:7]1[H:9])[H:10])\[H:8].[O+:1]#[C-:2],"InChI=1S/C4H6N2O/c7-4-5-1-3-2-6(3)4/h3H,1-2H2,(H,5,7)/t3-,6?/m0/s1","InChI=1S/C3H6N2.CO/c4-1-3-2-5-3;1-2/h1,3-5H,2H2;/b4-1+;/t3-;/m0./s1",101.21045,22.0856,
13788,[O:1]=[C:2]1[N:3]([H:8])[C:4]([H:9])([H:10])[C@@:5]2([H:11])[C:6]([H:12])([H:13])[N:7]12,[O-:1][N+:7]#[C:2][N:3]([C:4]([C:5](=[C:6]([H:12])[H:13])[H:11])([H:9])[H:10])[H:8],"InChI=1S/C4H6N2O/c7-4-5-1-3-2-6(3)4/h3H,1-2H2,(H,5,7)/t3-,6?/m0/s1","InChI=1S/C4H6N2O/c1-2-3-5-4-6-7/h2,5H,1,3H2",96.22376,62.42759,
13789,[O:1]=[C:2]1[N:3]([H:8])[C:4]([H:9])([H:10])[C@@:5]2([H:11])[C:6]([H:12])([H:13])[N:7]12,[H:8][H:13].[O:1]=[C:2]=[N:3][C:4]([C@@:5]1([H:11])[C:6]([H:12])=[N:7]1)([H:9])[H:10],"InChI=1S/C4H6N2O/c7-4-5-1-3-2-6(3)4/h3H,1-2H2,(H,5,7)/t3-,6?/m0/s1","InChI=1S/C4H4N2O.H2/c7-3-5-1-4-2-6-4;/h2,4H,1H2;1H/t4-;/m0./s1",78.3422,40.122859999999996,
13790,[O:1]=[C:2]1[N:3]([H:8])[C:4]([H:9])([H:10])[C@@:5]2([H:11])[C:6]([H:12])([H:13])[N:7]12,[O:1]([C@@:2]12[N:3]([H:8])[C@:4]1([H:10])[C@@:5]1([H:11])[C:6]([H:12])([H:13])[N:7]21)[H:9],"InChI=1S/C4H6N2O/c7-4-5-1-3-2-6(3)4/h3H,1-2H2,(H,5,7)/t3-,6?/m0/s1","InChI=1S/C4H6N2O/c7-4-3(5-4)2-1-6(2)4/h2-3,5,7H,1H2/t2-,3-,4-,6?/m1/s1",120.60991999999999,63.652480000000004,
13791,[O:1]=[C:2]1[N:3]([H:8])[C:4]([H:9])([H:10])[C@@:5]2([H:11])[C:6]([H:12])([H:13])[N:7]12,[O:1]=[C:2]([N:3]([C:4]([H:9])([H:10])[H:12])[H:8])[N:7]1[C:5]([H:11])=[C:6]1[H:13],"InChI=1S/C4H6N2O/c7-4-5-1-3-2-6(3)4/h3H,1-2H2,(H,5,7)/t3-,6?/m0/s1","InChI=1S/C4H6N2O/c1-5-4(7)6-2-3-6/h2-3H,1H3,(H,5,7)",93.94943,53.62624,
13792,[O:1]=[C:2]1[N:3]([H:8])[C:4]([H:9])([H:10])[C@@:5]2([H:11])[C:6]([H:12])([H:13])[N:7]12,[O:1]=[C:2]([N:3]([C:4](=[C:5]([H:10])[H:11])[H:9])[H:8])[N:7]=[C:6]([H:12])[H:13],"InChI=1S/C4H6N2O/c7-4-5-1-3-2-6(3)4/h3H,1-2H2,(H,5,7)/t3-,6?/m0/s1","InChI=1S/C4H6N2O/c1-3-6-4(7)5-2/h3H,1-2H2,(H,6,7)",77.29942,-1.8650900000000001,
13793,[O:1]=[C:2]1[N:3]([H:8])[C:4]([H:9])([H:10])[C@@:5]2([H:11])[C:6]([H:12])([H:13])[N:7]12,[O:1]=[C:2]1[N:3]([H:8])[C:4]([H:9])([H:10])[C:5][C:6]([H:12])([H:13])[N:7]1[H:11],"InChI=1S/C4H6N2O/c7-4-5-1-3-2-6(3)4/h3H,1-2H2,(H,5,7)/t3-,6?/m0/s1","InChI=1S/C4H6N2O/c7-4-5-2-1-3-6-4/h2-3H2,(H2,5,6,7)",62.329440000000005,48.46699,
13794,[O:1]=[C:2]1[N:3]([H:8])[C:4]([H:9])([H:10])[C@@:5]2([H:11])[C:6]([H:12])([H:13])[N:7]12,[H:9][H:10].[O-:1][C:2]1=[N+:7]2[C@@:5]([H:11])([C-:4]=[N+:3]1[H:8])[C:6]2([H:12])[H:13],"InChI=1S/C4H6N2O/c7-4-5-1-3-2-6(3)4/h3H,1-2H2,(H,5,7)/t3-,6?/m0/s1","InChI=1S/C4H4N2O.H2/c7-4-5-1-3-2-6(3)4;/h3,5H,2H2;1H/t3-,6?;/m0./s1",72.8627,61.70336999999999,
13795,[O:1]([C@@:2]1([H:9])[C@@:3]2([H:10])[C@@:4]3([H:11])[C:5]([H:12])([H:13])[C@:6]1([H:14])[N:7]23)[H:8],[O:1](/[C:2](=[C:3](/[C@@:4]1([H:11])[C:5]([H:12])([H:13])[C:6]([H:14])=[N:7]1)[H:10])[H:9])[H:8],"InChI=1S/C5H7NO/c7-5-3-1-2-4(5)6(2)3/h2-5,7H,1H2/t2-,3+,4-,5-,6?/m1/s1","InChI=1S/C5H7NO/c7-4-2-5-1-3-6-5/h2-5,7H,1H2/b4-2+/t5-/m1/s1",35.87903,-19.44966,
13796,[O:1]([C@@:2]1([H:9])[C@@:3]2([H:10])[C@@:4]3([H:11])[C:5]([H:12])([H:13])[C@:6]1([H:14])[N:7]23)[H:8],[O:1]([C@@:2]1([H:9])[C@:3]([C:4](=[C:5]([H:12])[H:13])[H:11])([H:10])[N:7]=[C:6]1[H:14])[H:8],"InChI=1S/C5H7NO/c7-5-3-1-2-4(5)6(2)3/h2-5,7H,1H2/t2-,3+,4-,5-,6?/m1/s1","InChI=1S/C5H7NO/c1-2-4-5(7)3-6-4/h2-5,7H,1H2/t4-,5-/m1/s1",40.91292,-19.22358,
13797,[O:1]([C@@:2]1([H:9])[C@@:3]2([H:10])[C@@:4]3([H:11])[C:5]([H:12])([H:13])[C@:6]1([H:14])[N:7]23)[H:8],[C-:2]12[C@@:3]3([H:10])[C@@:4]4([H:11])[C:5]([H:12])([H:13])[C@:6]1([H:14])[N+:7]234.[O:1]([H:8])[H:9],"InChI=1S/C5H7NO/c7-5-3-1-2-4(5)6(2)3/h2-5,7H,1H2/t2-,3+,4-,5-,6?/m1/s1","InChI=1S/C5H5N.H2O/c1-2-4-5-3(1)6(2,4)5;/h2-4H,1H2;1H2/t2-,3+,4-,6?;/m1./s1",64.70995,69.75605,
13798,[O:1]([C@@:2]1([H:9])[C@@:3]2([H:10])[C@@:4]3([H:11])[C:5]([H:12])([H:13])[C@:6]1([H:14])[N:7]23)[H:8],[O:1]([C@@:2]1([H:9])[C@:3]2([H:10])[C@@:4]3([H:11])[C@:5]2([H:12])[C@:6]1([H:14])[N:7]3[H:13])[H:8],"InChI=1S/C5H7NO/c7-5-3-1-2-4(5)6(2)3/h2-5,7H,1H2/t2-,3+,4-,5-,6?/m1/s1","InChI=1S/C5H7NO/c7-5-2-1-3(2)6-4(1)5/h1-7H/t1-,2+,3-,4+,5+/m1/s1",78.74559,13.232520000000001,
13799,[O:1]([C@@:2]1([H:9])[C@@:3]2([H:10])[C@@:4]3([H:11])[C:5]([H:12])([H:13])[C@:6]1([H:14])[N:7]23)[H:8],[O:1]([C@@:4]1([H:11])[C:5]([H:12])([H:13])[C@@:6]2([H:14])[C:2]([H:9])=[C:3]([H:10])[N:7]12)[H:8],"InChI=1S/C5H7NO/c7-5-3-1-2-4(5)6(2)3/h2-5,7H,1H2/t2-,3+,4-,5-,6?/m1/s1","InChI=1S/C5H7NO/c7-5-3-4-1-2-6(4)5/h1-2,4-5,7H,3H2/t4-,5+/m1/s1",69.7529,-3.09675,
13800,[O:1]([C@@:2]1([H:9])[C@@:3]2([H:10])[C@@:4]3([H:11])[C:5]([H:12])([H:13])[C@:6]1([H:14])[N:7]23)[H:8],[O:1]([C@@:2]1([H:9])[C:3][C@@:4]2([H:11])[C:5]([H:12])([H:13])[C@:6]1([H:14])[N:7]2[H:10])[H:8],"InChI=1S/C5H7NO/c7-5-3-1-2-4(5)6(2)3/h2-5,7H,1H2/t2-,3+,4-,5-,6?/m1/s1","InChI=1S/C5H7NO/c7-5-2-3-1-4(5)6-3/h3-7H,1H2/t3-,4+,5+/m1/s1",56.35873,53.546659999999996,
13801,[O:1]([C@@:2]1([H:9])[C@@:3]2([H:10])[C@@:4]3([H:11])[C:5]([H:12])([H:13])[C@:6]1([H:14])[N:7]23)[H:8],[O:1]([C@@:6]1([H:14])[C@@:2]2([H:9])[C@@:3]3([H:10])[C@@:4]([H:11])([C:5]1([H:12])[H:13])[N:7]23)[H:8],"InChI=1S/C5H7NO/c7-5-3-1-2-4(5)6(2)3/h2-5,7H,1H2/t2-,3+,4-,5-,6?/m1/s1","InChI=1S/C5H7NO/c7-3-1-2-4-5(3)6(2)4/h2-5,7H,1H2/t2-,3-,4-,5+,6?/m1/s1",43.81839,-15.200970000000002,
13802,[O:1]([C@@:2]1([H:9])[C@@:3]2([H:10])[C@@:4]3([H:11])[C:5]([H:12])([H:13])[C@:6]1([H:14])[N:7]23)[H:8],[H:8][H:12].[O:1]=[C:2]([C@@:3]1([H:10])[C@@:4]2([H:11])[C:5]([H:13])=[C:6]([H:14])[N:7]12)[H:9],"InChI=1S/C5H7NO/c7-5-3-1-2-4(5)6(2)3/h2-5,7H,1H2/t2-,3+,4-,5-,6?/m1/s1","InChI=1S/C5H5NO.H2/c7-3-5-4-1-2-6(4)5;/h1-5H;1H/t4-,5+,6?;/m1./s1",59.90035,31.33809,
13803,[O:1]([C@@:2]1([H:9])[C@@:3]2([H:10])[C@@:4]3([H:11])[C:5]([H:12])([H:13])[C@:6]1([H:14])[N:7]23)[H:8],[O:1]([C@@:2]1([H:9])[C@@:3]2([H:10])[C:4][C:5]([H:12])([H:13])[C@:6]1([H:14])[N:7]2[H:11])[H:8],"InChI=1S/C5H7NO/c7-5-3-1-2-4(5)6(2)3/h2-5,7H,1H2/t2-,3+,4-,5-,6?/m1/s1","InChI=1S/C5H7NO/c7-5-3-1-2-4(5)6-3/h3-7H,1H2/t3-,4+,5+/m0/s1",56.63095,52.54405,
13804,[O:1]([C@@:2]1([H:9])[C@@:3]2([H:10])[C@@:4]3([H:11])[C:5]([H:12])([H:13])[C@:6]1([H:14])[N:7]23)[H:8],[O:1]([C@@:2]1([H:9])[C@@:3]2([H:10])[C@@:4]([H:11])([C:5]([H:12])([H:13])[C:6]1)[N:7]2[H:14])[H:8],"InChI=1S/C5H7NO/c7-5-3-1-2-4(5)6(2)3/h2-5,7H,1H2/t2-,3+,4-,5-,6?/m1/s1","InChI=1S/C5H7NO/c7-4-2-1-3-5(4)6-3/h3-7H,1H2/t3-,4-,5-/m1/s1",63.16372,45.20564,
13805,[O:1]([C@@:2]1([H:9])[C@@:3]2([H:10])[C@@:4]3([H:11])[C:5]([H:12])([H:13])[C@:6]1([H:14])[N:7]23)[H:8],[O:1]([C@@:2]1([H:9])[C:3]([H:10])=[N+:7]2[C-:4]([H:11])[C:5]([H:12])([H:13])[C@@:6]12[H:14])[H:8],"InChI=1S/C5H7NO/c7-5-3-1-2-4(5)6(2)3/h2-5,7H,1H2/t2-,3+,4-,5-,6?/m1/s1","InChI=1S/C5H7NO/c7-5-3-6-2-1-4(5)6/h2-5,7H,1H2/t4-,5-/m0/s1",61.4962,42.75946,
13806,[O:1]([C@@:2]1([H:9])[C@@:3]2([H:10])[C@@:4]3([H:11])[C:5]([H:12])([H:13])[C@:6]1([H:14])[N:7]23)[H:8],[O:1]([C:2](=[C:3]([H:9])[H:10])[C@:6]1([H:14])[C:5]([H:12])([H:13])[C:4]([H:11])=[N:7]1)[H:8],"InChI=1S/C5H7NO/c7-5-3-1-2-4(5)6(2)3/h2-5,7H,1H2/t2-,3+,4-,5-,6?/m1/s1","InChI=1S/C5H7NO/c1-4(7)5-2-3-6-5/h3,5,7H,1-2H2/t5-/m0/s1",92.20419,-24.9769,
13807,[O:1]([C@@:2]1([H:9])[C@@:3]2([H:10])[C@@:4]3([H:11])[C:5]([H:12])([H:13])[C@:6]1([H:14])[N:7]23)[H:8],[O:1]([C@@:2]1([H:9])[C@@:3]2([H:10])[C@:4]([C:5][H:13])([H:11])[N:7]2[C:6]1([H:12])[H:14])[H:8],"InChI=1S/C5H7NO/c7-5-3-1-2-4(5)6(2)3/h2-5,7H,1H2/t2-,3+,4-,5-,6?/m1/s1","InChI=1S/C5H7NO/c1-3-5-4(7)2-6(3)5/h1,3-5,7H,2H2/t3-,4-,5-,6?/m1/s1",81.85649000000001,61.600190000000005,
13808,[O:1]([C@@:2]1([H:9])[C@@:3]2([H:10])[C@@:4]3([H:11])[C:5]([H:12])([H:13])[C@:6]1([H:14])[N:7]23)[H:8],[O:1]([C@@:2]([C@@:3]1([H:10])[C:4]([H:11])=[N:7]1)([C:6](=[C:5]([H:12])[H:13])[H:14])[H:9])[H:8],"InChI=1S/C5H7NO/c7-5-3-1-2-4(5)6(2)3/h2-5,7H,1H2/t2-,3+,4-,5-,6?/m1/s1","InChI=1S/C5H7NO/c1-2-5(7)4-3-6-4/h2-5,7H,1H2/t4-,5-/m1/s1",68.65518,-2.8910400000000003,
13809,[O:1]([C@@:2]1([H:9])[C@@:3]2([H:10])[C@@:4]3([H:11])[C:5]([H:12])([H:13])[C@:6]1([H:14])[N:7]23)[H:8],[O:1]=[C:2]([C@:6]1([H:14])[C:5]([H:12])([H:13])[C@:4]2([H:11])[C:3]([H:8])([H:10])[N:7]21)[H:9],"InChI=1S/C5H7NO/c7-5-3-1-2-4(5)6(2)3/h2-5,7H,1H2/t2-,3+,4-,5-,6?/m1/s1","InChI=1S/C5H7NO/c7-3-5-1-4-2-6(4)5/h3-5H,1-2H2/t4-,5+,6?/m1/s1",64.25313,-9.58046,
13810,[O:1]([C@@:2]1([H:9])[C@@:3]2([H:10])[C@@:4]3([H:11])[C:5]([H:12])([H:13])[C@:6]1([H:14])[N:7]23)[H:8],[O:1]([C+:2]([C@@:3]1([H:10])[C-:4]([H:11])[C:5]([H:12])([H:13])[C:6]([H:14])=[N:7]1)[H:9])[H:8],"InChI=1S/C5H7NO/c7-5-3-1-2-4(5)6(2)3/h2-5,7H,1H2/t2-,3+,4-,5-,6?/m1/s1","InChI=1S/C5H7NO/c7-4-5-2-1-3-6-5/h2-5,7H,1H2/t5-/m1/s1",57.058569999999996,30.091759999999997,
13811,[O:1]([C@@:2]1([H:9])[C@@:3]2([H:10])[C@@:4]3([H:11])[C:5]([H:12])([H:13])[C@:6]1([H:14])[N:7]23)[H:8],[O:1]=[C:2]([C:3]([C@@:4]1([H:11])[C:5]([H:12])([H:13])[C:6]([H:14])=[N:7]1)([H:8])[H:10])[H:9],"InChI=1S/C5H7NO/c7-5-3-1-2-4(5)6(2)3/h2-5,7H,1H2/t2-,3+,4-,5-,6?/m1/s1","InChI=1S/C5H7NO/c7-4-2-5-1-3-6-5/h3-5H,1-2H2/t5-/m1/s1",61.63867,-27.25204,
13812,[O:1]([C@@:2]1([H:9])[C@@:3]2([H:10])[C@@:4]3([H:11])[C:5]([H:12])([H:13])[C@:6]1([H:14])[N:7]23)[H:8],[O:1](/[C:2](=[C:6](/[C:5]([C@:4]1([H:11])[C:3]([H:10])=[N:7]1)([H:12])[H:13])[H:14])[H:9])[H:8],"InChI=1S/C5H7NO/c7-5-3-1-2-4(5)6(2)3/h2-5,7H,1H2/t2-,3+,4-,5-,6?/m1/s1","InChI=1S/C5H7NO/c7-3-1-2-5-4-6-5/h1,3-5,7H,2H2/b3-1+/t5-/m1/s1",29.909090000000003,-7.7298,
13813,[O:1]([C@@:2]1([H:9])[C@@:3]2([H:10])[C@@:4]3([H:11])[C:5]([H:12])([H:13])[C@:6]1([H:14])[N:7]23)[H:8],[O:1]([C@@:2]([C:3][H:10])([C@:6]1([H:14])[C:5]([H:12])([H:13])[C:4]([H:11])=[N:7]1)[H:9])[H:8],"InChI=1S/C5H7NO/c7-5-3-1-2-4(5)6(2)3/h2-5,7H,1H2/t2-,3+,4-,5-,6?/m1/s1","InChI=1S/C5H7NO/c1-4(7)5-2-3-6-5/h1,3-5,7H,2H2/t4-,5-/m0/s1",66.10457,67.05778000000001,
13814,[O:1]([C@@:2]1([H:9])[C@@:3]2([H:10])[C@@:4]3([H:11])[C:5]([H:12])([H:13])[C@:6]1([H:14])[N:7]23)[H:8],[H:8][H:9].[O:1]=[C:2]1[C@@:3]2([H:10])[C@@:4]3([H:11])[C:5]([H:12])([H:13])[C@:6]1([H:14])[N:7]23,"InChI=1S/C5H7NO/c7-5-3-1-2-4(5)6(2)3/h2-5,7H,1H2/t2-,3+,4-,5-,6?/m1/s1","InChI=1S/C5H5NO.H2/c7-5-3-1-2-4(5)6(2)3;/h2-4H,1H2;1H/t2-,3+,4-,6?;/m1./s1",77.29479,13.82969,
13815,[O:1]([C@@:2]1([H:9])[C@@:3]2([H:10])[C@@:4]3([H:11])[C:5]([H:12])([H:13])[C@:6]1([H:14])[N:7]23)[H:8],[O:1]([C@@:2]1([H:9])[C@@:3]2([H:10])[C:4]([H:11])([H:13])[N:7]2[C@:6]1([C:5][H:12])[H:14])[H:8],"InChI=1S/C5H7NO/c7-5-3-1-2-4(5)6(2)3/h2-5,7H,1H2/t2-,3+,4-,5-,6?/m1/s1","InChI=1S/C5H7NO/c1-3-5(7)4-2-6(3)4/h1,3-5,7H,2H2/t3-,4+,5+,6?/m0/s1",79.64047,78.36187,
13816,[N:1]([C:2](=[O:3])[C:4]([C@@:5]1([H:12])[C:6]([H:13])([H:14])[O:7]1)([H:10])[H:11])([H:8])[H:9],[C:4](=[C:5]1[C:6]([H:13])([H:14])[O:7]1)([H:10])[H:11].[N:1]([C:2](=[O:3])[H:12])([H:8])[H:9],"InChI=1S/C4H7NO2/c5-4(6)1-3-2-7-3/h3H,1-2H2,(H2,5,6)/t3-/m0/s1","InChI=1S/C3H4O.CH3NO/c1-3-2-4-3;2-1-3/h1-2H2;1H,(H2,2,3)",89.78499000000001,28.477059999999998,
13817,[N:1]([C:2](=[O:3])[C:4]([C@@:5]1([H:12])[C:6]([H:13])([H:14])[O:7]1)([H:10])[H:11])([H:8])[H:9],[N:1]([C-:2]=[O+:3][C:4]([C@@:5]1([H:12])[C:6]([H:13])([H:14])[O:7]1)([H:10])[H:11])([H:8])[H:9],"InChI=1S/C4H7NO2/c5-4(6)1-3-2-7-3/h3H,1-2H2,(H2,5,6)/t3-/m0/s1","InChI=1S/C4H7NO2/c5-3-6-1-4-2-7-4/h4H,1-2,5H2/t4-/m0/s1",96.98016,54.95778000000001,
13818,[N:1]([C:2](=[O:3])[C:4]([C@@:5]1([H:12])[C:6]([H:13])([H:14])[O:7]1)([H:10])[H:11])([H:8])[H:9],[N:1]([C@:2]1([H:11])[O:3][C@@:4]1([C@@:5]1([H:12])[C:6]([H:13])([H:14])[O:7]1)[H:10])([H:8])[H:9],"InChI=1S/C4H7NO2/c5-4(6)1-3-2-7-3/h3H,1-2H2,(H2,5,6)/t3-/m0/s1","InChI=1S/C4H7NO2/c5-4-3(7-4)2-1-6-2/h2-4H,1,5H2/t2-,3-,4-/m1/s1",88.49441999999999,42.70786,
13819,[N:1]([C:2](=[O:3])[C:4]([C@@:5]1([H:12])[C:6]([H:13])([H:14])[O:7]1)([H:10])[H:11])([H:8])[H:9],[N:1]([C:2]([O:3][C@@:5]1([H:12])[C:6]([H:13])([H:14])[O:7]1)=[C:4]([H:10])[H:11])([H:8])[H:9],"InChI=1S/C4H7NO2/c5-4(6)1-3-2-7-3/h3H,1-2H2,(H2,5,6)/t3-/m0/s1","InChI=1S/C4H7NO2/c1-3(5)7-4-2-6-4/h4H,1-2,5H2/t4-/m0/s1",80.36477,28.477559999999997,ketoenol
13820,[N:1]([C:2](=[O:3])[C:4]([C@@:5]1([H:12])[C:6]([H:13])([H:14])[O:7]1)([H:10])[H:11])([H:8])[H:9],[N:1]([C:2](=[O:3])/[C:4](=[C:5](\[C:6]([O:7][H:11])([H:13])[H:14])[H:12])[H:10])([H:8])[H:9],"InChI=1S/C4H7NO2/c5-4(6)1-3-2-7-3/h3H,1-2H2,(H2,5,6)/t3-/m0/s1","InChI=1S/C4H7NO2/c5-4(7)2-1-3-6/h1-2,6H,3H2,(H2,5,7)/b2-1-",49.91062,-13.09859,
13821,[N:1]([C:2](=[O:3])[C:4]([C@@:5]1([H:12])[C:6]([H:13])([H:14])[O:7]1)([H:10])[H:11])([H:8])[H:9],[H:8][H:9].[N:1](=[C:2]=[O:3])[C:4]([C@@:5]1([H:12])[C:6]([H:13])([H:14])[O:7]1)([H:10])[H:11],"InChI=1S/C4H7NO2/c5-4(6)1-3-2-7-3/h3H,1-2H2,(H2,5,6)/t3-/m0/s1","InChI=1S/C4H5NO2.H2/c6-3-5-1-4-2-7-4;/h4H,1-2H2;1H/t4-;/m0./s1",89.93184000000001,26.57208,
13822,[N:1]([C:2](=[O:3])[C:4]([C@@:5]1([H:12])[C:6]([H:13])([H:14])[O:7]1)([H:10])[H:11])([H:8])[H:9],[C:6](=[O:7])([H:13])[H:14].[N:1]([C:2](=[O:3])[C:5](=[C:4]([H:10])[H:11])[H:12])([H:8])[H:9],"InChI=1S/C4H7NO2/c5-4(6)1-3-2-7-3/h3H,1-2H2,(H2,5,6)/t3-/m0/s1","InChI=1S/C3H5NO.CH2O/c1-2-3(4)5;1-2/h2H,1H2,(H2,4,5);1H2",62.699940000000005,5.7678199999999995,
13823,[N:1]([C:2](=[O:3])[C:4]([C@@:5]1([H:12])[C:6]([H:13])([H:14])[O:7]1)([H:10])[H:11])([H:8])[H:9],[C:4]([C@@:5]1([H:12])[C:6]([H:13])([H:14])[O:7]1)[H:10].[N:1]([C:2](=[O:3])[H:11])([H:8])[H:9],"InChI=1S/C4H7NO2/c5-4(6)1-3-2-7-3/h3H,1-2H2,(H2,5,6)/t3-/m0/s1","InChI=1S/C3H4O.CH3NO/c1-3-2-4-3;2-1-3/h1,3H,2H2;1H,(H2,2,3)/t3-;/m0./s1",93.63346,100.10731,
13824,[N:1]([C:2](=[O:3])[C:4]([C@@:5]1([H:12])[C:6]([H:13])([H:14])[O:7]1)([H:10])[H:11])([H:8])[H:9],[C:4](=[C:5]([C:6]([O:7][H:9])([H:13])[H:14])[H:12])([H:10])[H:11].[N:1](=[C:2]=[O:3])[H:8],"InChI=1S/C4H7NO2/c5-4(6)1-3-2-7-3/h3H,1-2H2,(H2,5,6)/t3-/m0/s1","InChI=1S/C3H6O.CHNO/c1-2-3-4;2-1-3/h2,4H,1,3H2;2H",29.77318,0.38209,
13825,[N:1]([C:2](=[O:3])[C:4]([C@@:5]1([H:12])[C:6]([H:13])([H:14])[O:7]1)([H:10])[H:11])([H:8])[H:9],[C:2](=[O:3])=[C:4]([C@@:5]1([H:12])[C:6]([H:13])([H:14])[O:7]1)[H:10].[N:1]([H:8])([H:9])[H:11],"InChI=1S/C4H7NO2/c5-4(6)1-3-2-7-3/h3H,1-2H2,(H2,5,6)/t3-/m0/s1","InChI=1S/C4H4O2.H3N/c5-2-1-4-3-6-4;/h1,4H,3H2;1H3/t4-;/m0./s1",64.36164000000001,33.732009999999995,"1,3_NH3_elimination"
13826,[N:1]([C:2](=[O:3])[C:4]([C@@:5]1([H:12])[C:6]([H:13])([H:14])[O:7]1)([H:10])[H:11])([H:8])[H:9],[N:1]([C:2]([O:3][C:6]([C:5](=[O:7])[H:12])([H:13])[H:14])=[C:4]([H:10])[H:11])([H:8])[H:9],"InChI=1S/C4H7NO2/c5-4(6)1-3-2-7-3/h3H,1-2H2,(H2,5,6)/t3-/m0/s1","InChI=1S/C4H7NO2/c1-4(5)7-3-2-6/h2H,1,3,5H2",37.77717,9.592419999999999,
13827,[N:1]([C:2](=[O:3])[C:4]([C@@:5]1([H:12])[C:6]([H:13])([H:14])[O:7]1)([H:10])[H:11])([H:8])[H:9],[N:1]([C:2](=[O:3])[O:7][C:6]([C:5](=[C:4]([H:10])[H:11])[H:12])([H:13])[H:14])([H:8])[H:9],"InChI=1S/C4H7NO2/c5-4(6)1-3-2-7-3/h3H,1-2H2,(H2,5,6)/t3-/m0/s1","InChI=1S/C4H7NO2/c1-2-3-7-4(5)6/h2H,1,3H2,(H2,5,6)",48.37043,-16.72524,
13828,[N:1]([C:2](=[O:3])[C:4]([C@@:5]1([H:12])[C:6]([H:13])([H:14])[O:7]1)([H:10])[H:11])([H:8])[H:9],[C:4](=[C:5]([C:6](=[O:7])[H:14])[H:12])([H:10])[H:11].[N:1]([C:2](=[O:3])[H:13])([H:8])[H:9],"InChI=1S/C4H7NO2/c5-4(6)1-3-2-7-3/h3H,1-2H2,(H2,5,6)/t3-/m0/s1","InChI=1S/C3H4O.CH3NO/c1-2-3-4;2-1-3/h2-3H,1H2;1H,(H2,2,3)",72.03466,1.24167,
13829,[N:1]([C:2](=[O:3])[C:4]([C@@:5]1([H:12])[C:6]([H:13])([H:14])[O:7]1)([H:10])[H:11])([H:8])[H:9],[N:1](/[C:2]([O:3][H:11])=[C:4](/[C@@:5]1([H:12])[C:6]([H:13])([H:14])[O:7]1)[H:10])([H:8])[H:9],"InChI=1S/C4H7NO2/c5-4(6)1-3-2-7-3/h3H,1-2H2,(H2,5,6)/t3-/m0/s1","InChI=1S/C4H7NO2/c5-4(6)1-3-2-7-3/h1,3,6H,2,5H2/b4-1-/t3-/m0/s1",63.656530000000004,19.238889999999998,ketoenol
13830,[N:1]([C:2](=[O:3])[C:4]([C@@:5]1([H:12])[C:6]([H:13])([H:14])[O:7]1)([H:10])[H:11])([H:8])[H:9],[C:2](=[O:3])=[C:4]([H:10])[H:11].[N:1]([C:6]([C:5](=[O:7])[H:12])([H:13])[H:14])([H:8])[H:9],"InChI=1S/C4H7NO2/c5-4(6)1-3-2-7-3/h3H,1-2H2,(H2,5,6)/t3-/m0/s1","InChI=1S/C2H5NO.C2H2O/c3-1-2-4;1-2-3/h2H,1,3H2;1H2",45.50376,19.63563,
13831,[N:1]([C:2](=[O:3])[C:4]([C@@:5]1([H:12])[C:6]([H:13])([H:14])[O:7]1)([H:10])[H:11])([H:8])[H:9],[N:1]([C:2](=[O+:3][O-:7])[C:4]([C:5](=[C:6]([H:13])[H:14])[H:12])([H:10])[H:11])([H:8])[H:9],"InChI=1S/C4H7NO2/c5-4(6)1-3-2-7-3/h3H,1-2H2,(H2,5,6)/t3-/m0/s1","InChI=1S/C4H7NO2/c1-2-3-4(5)7-6/h2H,1,3,5H2",99.26772,80.49474000000001,
13832,[N:1]([C:2](=[O:3])[C:4]([C@@:5]1([H:12])[C:6]([H:13])([H:14])[O:7]1)([H:10])[H:11])([H:8])[H:9],[C:4]([C@@:5]1([H:12])[C:6]([H:13])([H:14])[O:7]1)([H:8])([H:10])[H:11].[N:1](=[C:2]=[O:3])[H:9],"InChI=1S/C4H7NO2/c5-4(6)1-3-2-7-3/h3H,1-2H2,(H2,5,6)/t3-/m0/s1","InChI=1S/C3H6O.CHNO/c1-3-2-4-3;2-1-3/h3H,2H2,1H3;2H/t3-;/m0./s1",71.8366,9.22477,
13833,[N:1]([C:2](=[O:3])[C:4]([C@@:5]1([H:12])[C:6]([H:13])([H:14])[O:7]1)([H:10])[H:11])([H:8])[H:9],[N:1]([C:2](=[O:3])[C:4]([C:5]([O+:7]=[C-:6][H:14])([H:12])[H:13])([H:10])[H:11])([H:8])[H:9],"InChI=1S/C4H7NO2/c5-4(6)1-3-2-7-3/h3H,1-2H2,(H2,5,6)/t3-/m0/s1","InChI=1S/C4H7NO2/c1-7-3-2-4(5)6/h1H,2-3H2,(H2,5,6)",74.7224,46.83403,
13834,[N:1]([C:2](=[O:3])[C:4]([C@@:5]1([H:12])[C:6]([H:13])([H:14])[O:7]1)([H:10])[H:11])([H:8])[H:9],[N:1]([C:2](=[O:3])[C:4]([C@@:5]([C:6][H:14])([O:7][H:13])[H:12])([H:10])[H:11])([H:8])[H:9],"InChI=1S/C4H7NO2/c5-4(6)1-3-2-7-3/h3H,1-2H2,(H2,5,6)/t3-/m0/s1","InChI=1S/C4H7NO2/c1-3(6)2-4(5)7/h1,3,6H,2H2,(H2,5,7)/t3-/m1/s1",66.58479,62.90353,
13835,[N:1]([C:2](=[O:3])[C:4]([C@@:5]1([H:12])[C:6]([H:13])([H:14])[O:7]1)([H:10])[H:11])([H:8])[H:9],[N:1](=[C:2](/[O:3][H:9])[C:4]([C@@:5]1([H:12])[C:6]([H:13])([H:14])[O:7]1)([H:10])[H:11])\[H:8],"InChI=1S/C4H7NO2/c5-4(6)1-3-2-7-3/h3H,1-2H2,(H2,5,6)/t3-/m0/s1","InChI=1S/C4H7NO2/c5-4(6)1-3-2-7-3/h3H,1-2H2,(H2,5,6)/t3-/m0/s1",40.32201,9.31674,ketoenol
13836,[N:1]([C:2](=[O:3])[C:4]([C@@:5]1([H:12])[C:6]([H:13])([H:14])[O:7]1)([H:10])[H:11])([H:8])[H:9],[C:2]1(=[O:3])[C:4]([H:10])([H:11])[C@@:5]2([H:12])[C@:6]1([H:14])[O:7]2.[N:1]([H:8])([H:9])[H:13],"InChI=1S/C4H7NO2/c5-4(6)1-3-2-7-3/h3H,1-2H2,(H2,5,6)/t3-/m0/s1","InChI=1S/C4H4O2.H3N/c5-2-1-3-4(2)6-3;/h3-4H,1H2;1H3/t3-,4+;/m0./s1",74.79042,40.4261,
13837,[N:1]([C:2](=[O:3])[C:4]([C@@:5]1([H:12])[C:6]([H:13])([H:14])[O:7]1)([H:10])[H:11])([H:8])[H:9],[N:1]([C:2](=[O:3])[C:4]([C:5](=[O+:7][C-:6]([H:13])[H:14])[H:12])([H:10])[H:11])([H:8])[H:9],"InChI=1S/C4H7NO2/c5-4(6)1-3-2-7-3/h3H,1-2H2,(H2,5,6)/t3-/m0/s1","InChI=1S/C4H7NO2/c1-7-3-2-4(5)6/h3H,1-2H2,(H2,5,6)",50.85781,42.56592,
13838,[N:1]([C:2](=[O:3])[C:4]([C@@:5]1([H:12])[C:6]([H:13])([H:14])[O:7]1)([H:10])[H:11])([H:8])[H:9],[N:1]([C:2](=[O:3])[C:4]([C-:5]=[O+:7][C:6]([H:12])([H:13])[H:14])([H:10])[H:11])([H:8])[H:9],"InChI=1S/C4H7NO2/c5-4(6)1-3-2-7-3/h3H,1-2H2,(H2,5,6)/t3-/m0/s1","InChI=1S/C4H7NO2/c1-7-3-2-4(5)6/h2H2,1H3,(H2,5,6)",69.73727,35.915,
13839,[N:1]([C:2](=[O:3])[C:4]([C@@:5]1([H:12])[C:6]([H:13])([H:14])[O:7]1)([H:10])[H:11])([H:8])[H:9],[N+:1]([C:2](=[O:3])[C:4]([C:5](=[C:6]([H:13])[H:14])[H:12])([H:10])[H:11])([O-:7])([H:8])[H:9],"InChI=1S/C4H7NO2/c5-4(6)1-3-2-7-3/h3H,1-2H2,(H2,5,6)/t3-/m0/s1","InChI=1S/C4H7NO2/c1-2-3-4(6)5-7/h2H,1,3,5H2",90.62039,63.1497,
13840,[N:1]([C:2](=[O:3])[C:4]([C@@:5]1([H:12])[C:6]([H:13])([H:14])[O:7]1)([H:10])[H:11])([H:8])[H:9],[N:1]([C:2](=[O:3])/[C:4](=[C:5](/[O:7][C:6]([H:11])([H:13])[H:14])[H:12])[H:10])([H:8])[H:9],"InChI=1S/C4H7NO2/c5-4(6)1-3-2-7-3/h3H,1-2H2,(H2,5,6)/t3-/m0/s1","InChI=1S/C4H7NO2/c1-7-3-2-4(5)6/h2-3H,1H3,(H2,5,6)/b3-2+",80.1269,-9.96856,
13841,[N:1]([C:2](=[O:3])[C:4]([C@@:5]1([H:12])[C:6]([H:13])([H:14])[O:7]1)([H:10])[H:11])([H:8])[H:9],[C:5]1([H:11])([H:12])[C:6]([H:13])([H:14])[O:7]1.[N:1]([C:2]([O-:3])=[C+:4][H:10])([H:8])[H:9],"InChI=1S/C4H7NO2/c5-4(6)1-3-2-7-3/h3H,1-2H2,(H2,5,6)/t3-/m0/s1","InChI=1S/C2H3NO.C2H4O/c1-2(3)4;1-2-3-1/h1H,3H2;1-2H2",93.1011,96.22256,
13842,[N:1]([C:2](=[O:3])[C:4]([C@@:5]1([H:12])[C:6]([H:13])([H:14])[O:7]1)([H:10])[H:11])([H:8])[H:9],[N:1]([C:2](=[O:3])[C:4]([C:5][C:6]([O:7][H:12])([H:13])[H:14])([H:10])[H:11])([H:8])[H:9],"InChI=1S/C4H7NO2/c5-4(6)1-3-2-7-3/h3H,1-2H2,(H2,5,6)/t3-/m0/s1","InChI=1S/C4H7NO2/c5-4(7)2-1-3-6/h6H,2-3H2,(H2,5,7)",64.35132,60.7535,
13843,[N:1]([C:2](=[O:3])[C:4]([C@@:5]1([H:12])[C:6]([H:13])([H:14])[O:7]1)([H:10])[H:11])([H:8])[H:9],[N:1]([C-:2]=[O+:3][C:5]1([H:12])[C:4]([H:10])([H:11])[O:7][C:6]1([H:13])[H:14])([H:8])[H:9],"InChI=1S/C4H7NO2/c5-4(6)1-3-2-7-3/h3H,1-2H2,(H2,5,6)/t3-/m0/s1","InChI=1S/C4H7NO2/c5-3-7-4-1-6-2-4/h4H,1-2,5H2",81.02521999999999,54.61642,
13844,[N:1]([C:2](=[O:3])[C:4]([C@@:5]1([H:12])[C:6]([H:13])([H:14])[O:7]1)([H:10])[H:11])([H:8])[H:9],[N:1](=[C:2]1/[O:3][C:6]([H:13])([H:14])[C@:5]([O:7][H:8])([H:12])[C:4]1([H:10])[H:11])\[H:9],"InChI=1S/C4H7NO2/c5-4(6)1-3-2-7-3/h3H,1-2H2,(H2,5,6)/t3-/m0/s1","InChI=1S/C4H7NO2/c5-4-1-3(6)2-7-4/h3,5-6H,1-2H2/b5-4+/t3-/m0/s1",67.74609,-6.4528099999999995,
13845,[N:1]([C:2](=[O:3])[C:4]([C@@:5]1([H:12])[C:6]([H:13])([H:14])[O:7]1)([H:10])[H:11])([H:8])[H:9],[C:6](=[O:7])([H:13])[H:14].[N:1]([C@:2]12[O:3][C@@:5]1([H:12])[C:4]2([H:10])[H:11])([H:8])[H:9],"InChI=1S/C4H7NO2/c5-4(6)1-3-2-7-3/h3H,1-2H2,(H2,5,6)/t3-/m0/s1","InChI=1S/C3H5NO.CH2O/c4-3-1-2(3)5-3;1-2/h2H,1,4H2;1H2/t2-,3+;/m0./s1",77.72909,76.72279,
13846,[C:1]([C:2]([C:3]1([C:6]#[C:7][H:17])[C:4]([H:13])([H:14])[C:5]1([H:15])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]1([H:8])([H:9])[C:2]([H:11])([H:12])[C:3]2([C:4]([H:13])([H:14])[C:5]2([H:15])[H:16])[C:6][C:7]1([H:10])[H:17],"InChI=1S/C7H10/c1-3-7(4-2)5-6-7/h1H,4-6H2,2H3","InChI=1S/C7H10/c1-2-4-7(3-1)5-6-7/h1-3,5-6H2",62.28711,37.666709999999995,
13847,[C:1]([C:2]([C:3]1([C:6]#[C:7][H:17])[C:4]([H:13])([H:14])[C:5]1([H:15])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:3]12[C@@:4]([H:14])([C:5]1([H:15])[H:16])[C:6]2=[C:7]([H:13])[H:17])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C7H10/c1-3-7(4-2)5-6-7/h1H,4-6H2,2H3","InChI=1S/C7H10/c1-3-7-4-6(7)5(7)2/h6H,2-4H2,1H3/t6-,7+/m0/s1",81.7161,5.44455,
13848,[C:1]([C:2]([C:3]1([C:6]#[C:7][H:17])[C:4]([H:13])([H:14])[C:5]1([H:15])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](=[C:2]([H:11])[H:12])([H:8])[H:9].[C:3]([C:4]([H:10])([H:13])[H:14])(=[C:5]([H:15])[H:16])[C:6]#[C:7][H:17],"InChI=1S/C7H10/c1-3-7(4-2)5-6-7/h1H,4-6H2,2H3","InChI=1S/C5H6.C2H4/c1-4-5(2)3;1-2/h1H,2H2,3H3;1-2H2",72.23245,14.55171,
13849,[C:1]([C:2]([C:3]1([C:6]#[C:7][H:17])[C:4]([H:13])([H:14])[C:5]1([H:15])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([C:4](=[C:5]([H:15])[H:16])[H:14])=[C:6]=[C:7]([H:13])[H:17])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C7H10/c1-3-7(4-2)5-6-7/h1H,4-6H2,2H3","InChI=1S/C7H10/c1-4-7(5-2)6-3/h4H,1-2,6H2,3H3",81.74094000000001,-13.042060000000001,
13850,[C:1]([C:2]([C:3]1([C:6]#[C:7][H:17])[C:4]([H:13])([H:14])[C:5]1([H:15])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]1([H:8])([H:9])[C:2]([H:11])([H:12])[C:3]2([C:4]([H:13])([H:14])[C:5]2([H:15])[H:16])[C:6]1=[C:7]([H:10])[H:17],"InChI=1S/C7H10/c1-3-7(4-2)5-6-7/h1H,4-6H2,2H3",InChI=1S/C7H10/c1-6-2-3-7(6)4-5-7/h1-5H2,80.65235,-8.35323,
13851,[C:1]([C:2]([C:3]1([C:6]#[C:7][H:17])[C:4]([H:13])([H:14])[C:5]1([H:15])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]1=[C:6]=[C:7]([H:17])[C:4]([H:13])([H:14])[C:5]1([H:15])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C7H10/c1-3-7(4-2)5-6-7/h1H,4-6H2,2H3","InChI=1S/C7H10/c1-2-7-5-3-4-6-7/h3H,2,4,6H2,1H3",68.0216,21.6227,
13852,[C:1]([C:2]([C:3]1([C:6]#[C:7][H:17])[C:4]([H:13])([H:14])[C:5]1([H:15])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C+:3]1[C:4]([H:13])([H:14])[C:5]([H:15])([H:16])[C:6]1=[C-:7][H:17])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C7H10/c1-3-7(4-2)5-6-7/h1H,4-6H2,2H3","InChI=1S/C7H10/c1-3-7-5-4-6(7)2/h2H,3-5H2,1H3",56.287209999999995,53.4237,
13853,[C:1]([C:2]([C:3]1([C:6]#[C:7][H:17])[C:4]([H:13])([H:14])[C:5]1([H:15])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]1([C:7](=[C:6])[H:17])[C:4]([H:13])([H:14])[C:5]1([H:15])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C7H10/c1-3-7(4-2)5-6-7/h1H,4-6H2,2H3","InChI=1S/C7H10/c1-3-7(4-2)5-6-7/h4H,3,5-6H2,1H3",57.513769999999994,53.148480000000006,Singlet_Carbene_Intra_Disproportionation
13854,[C:1]([C:2]([C:3]1([C:6]#[C:7][H:17])[C:4]([H:13])([H:14])[C:5]1([H:15])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C@:2]1([H:12])[C:3]2([C:4]([H:13])([H:14])[C:5]2([H:15])[H:16])[C:6]1=[C:7]([H:11])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C7H10/c1-3-7(4-2)5-6-7/h1H,4-6H2,2H3","InChI=1S/C7H10/c1-5-6(2)7(5)3-4-7/h6H,1,3-4H2,2H3/t6-/m0/s1",71.60833000000001,5.51239,
13855,[C:1]([C:2]([C:3]1([C:6]#[C:7][H:17])[C:4]([H:13])([H:14])[C:5]1([H:15])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](=[C:2]([H:11])[H:12])([H:8])[H:9].[C:3]1(=[C:6]=[C:7]([H:10])[H:17])[C:4]([H:13])([H:14])[C:5]1([H:15])[H:16],"InChI=1S/C7H10/c1-3-7(4-2)5-6-7/h1H,4-6H2,2H3","InChI=1S/C5H6.C2H4/c1-2-5-3-4-5;1-2/h1,3-4H2;1-2H2",48.193509999999996,26.81089,Retroene
13856,[C:1]([C:2]([C:3]1([C:6]#[C:7][H:17])[C:4]([H:13])([H:14])[C:5]1([H:15])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:5]([C:4]([C-:3]=[C:6]=[C+:7][H:17])([H:13])[H:14])([H:15])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C7H10/c1-3-7(4-2)5-6-7/h1H,4-6H2,2H3","InChI=1S/C7H10/c1-3-5-7-6-4-2/h1H,4,6-7H2,2H3",90.39236,53.79206,
13857,[C:1]([C:2]([C@@:3]1([C:4]([H:13])([H:14])[H:15])[C:5]([H:16])([H:17])[C@:6]1([O:7][H:19])[H:18])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:3]1([C:4]([H:13])([H:14])[H:15])[C:5]([H:16])([H:17])[C:6]1)([H:11])[H:12])([H:8])([H:9])[H:10].[O:7]([H:18])[H:19],"InChI=1S/C6H12O/c1-3-6(2)4-5(6)7/h5,7H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C6H10.H2O/c1-3-6(2)4-5-6;/h3-4H2,1-2H3;1H2/t6-;/m0./s1",73.34308,87.0329,
13858,[C:1]([C:2]([C@@:3]1([C:4]([H:13])([H:14])[H:15])[C:5]([H:16])([H:17])[C@:6]1([O:7][H:19])[H:18])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:16].[C:2](=[C:3]([C:4]([H:13])([H:14])[H:15])/[C:5](=[C:6](\[O:7][H:19])[H:18])[H:17])([H:11])[H:12],"InChI=1S/C6H12O/c1-3-6(2)4-5(6)7/h5,7H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C5H8O.CH4/c1-5(2)3-4-6;/h3-4,6H,1H2,2H3;1H4/b4-3-;",84.10088,2.92823,
13859,[C:1]([C:2]([C@@:3]1([C:4]([H:13])([H:14])[H:15])[C:5]([H:16])([H:17])[C@:6]1([O:7][H:19])[H:18])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C@@:6]([C:3]1([C:4]([H:13])([H:14])[H:15])[C:2]([H:11])([H:12])[C:5]1([H:16])[H:17])([O:7][H:19])[H:18])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-3-6(2)4-5(6)7/h5,7H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C6H12O/c1-5(7)6(2)3-4-6/h5,7H,3-4H2,1-2H3/t5-/m0/s1",103.82943,-0.9789399999999999,
13860,[C:1]([C:2]([C@@:3]1([C:4]([H:13])([H:14])[H:15])[C:5]([H:16])([H:17])[C@:6]1([O:7][H:19])[H:18])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C@@:3]2([C:4]([H:13])([H:14])[H:15])[C:5]([H:16])([H:17])[C@@:6]12[H:18])([H:8])([H:9])[H:10].[O:7]([H:12])[H:19],"InChI=1S/C6H12O/c1-3-6(2)4-5(6)7/h5,7H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C6H10.H2O/c1-4-5-3-6(4,5)2;/h4-5H,3H2,1-2H3;1H2/t4-,5+,6-;/m1./s1",90.90765999999999,27.1739,
13861,[C:1]([C:2]([C@@:3]1([C:4]([H:13])([H:14])[H:15])[C:5]([H:16])([H:17])[C@:6]1([O:7][H:19])[H:18])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]1([C:4]([H:13])([H:14])[H:15])[C:5]([H:17])=[C:6]1[H:18])([H:11])[H:12])([H:8])([H:9])[H:10].[O:7]([H:16])[H:19],"InChI=1S/C6H12O/c1-3-6(2)4-5(6)7/h5,7H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C6H10.H2O/c1-3-6(2)4-5-6;/h4-5H,3H2,1-2H3;1H2",72.60145,36.459559999999996,
13862,[C:1]([C:2]([C@@:3]1([C:4]([H:13])([H:14])[H:15])[C:5]([H:16])([H:17])[C@:6]1([O:7][H:19])[H:18])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([O:7][H:19])([H:11])[H:12])([H:8])([H:9])[H:10].[C:3]1([C:4]([H:13])([H:14])[H:15])=[C:6]([H:18])[C:5]1([H:16])[H:17],"InChI=1S/C6H12O/c1-3-6(2)4-5(6)7/h5,7H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C4H6.C2H6O/c1-4-2-3-4;1-2-3/h2H,3H2,1H3;3H,2H2,1H3",98.27594,43.21954,
13863,[C:1]([C:2]([C@@:3]1([C:4]([H:13])([H:14])[H:15])[C:5]([H:16])([H:17])[C@:6]1([O:7][H:19])[H:18])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](=[C:2]([H:11])[H:12])([H:9])[H:10].[C:3]1([C:4]([H:13])([H:14])[H:15])=[C:5]([H:17])[C@:6]1([O:7][H:19])[H:18].[H:8][H:16],"InChI=1S/C6H12O/c1-3-6(2)4-5(6)7/h5,7H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C4H6O.C2H4.H2/c1-3-2-4(3)5;1-2;/h2,4-5H,1H3;1-2H2;1H/t4-;;/m1../s1",89.30561,70.89738,
13864,[C:1]([C:2]([C@@:3]1([C:4]([H:13])([H:14])[H:15])[C:5]([H:16])([H:17])[C@:6]1([O:7][H:19])[H:18])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:3](\[C:4]([H:13])([H:14])[H:15])[H:12])[H:11])([H:8])([H:9])[H:10].[C:5](=[C:6]([O:7][H:19])[H:18])([H:16])[H:17],"InChI=1S/C6H12O/c1-3-6(2)4-5(6)7/h5,7H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C4H8.C2H4O/c1-3-4-2;1-2-3/h3-4H,1-2H3;2-3H,1H2/b4-3-;",79.07383,11.75566,
13865,[C:1]([C:2]([C@@:3]1([C:4]([H:13])([H:14])[H:15])[C:5]([H:16])([H:17])[C@:6]1([O:7][H:19])[H:18])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:19].[C:2](=[C:3]([C:4]([H:13])([H:14])[H:15])[C:5]([C:6](=[O:7])[H:18])([H:16])[H:17])([H:11])[H:12],"InChI=1S/C6H12O/c1-3-6(2)4-5(6)7/h5,7H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C5H8O.CH4/c1-5(2)3-4-6;/h4H,1,3H2,2H3;1H4",53.38456,-0.41795,
13866,[C:1]([C:2]([C@@:3]1([C:4]([H:13])([H:14])[H:15])[C:5]([H:16])([H:17])[C@:6]1([O:7][H:19])[H:18])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:3]([C:4]([H:13])([H:14])[H:15])([O:7][C:6](=[C:5]([H:16])[H:17])[H:18])[H:19])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-3-6(2)4-5(6)7/h5,7H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C6H12O/c1-4-6(3)7-5-2/h5-6H,2,4H2,1,3H3/t6-/m1/s1",70.85578000000001,-1.0603799999999999,
13867,[C:1]([C:2]([C@@:3]1([C:4]([H:13])([H:14])[H:15])[C:5]([H:16])([H:17])[C@:6]1([O:7][H:19])[H:18])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([C:4]([H:13])([H:14])[H:15])([C:5]([H:16])([H:17])[H:18])[C:6][O:7][H:19])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-3-6(2)4-5(6)7/h5,7H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C6H12O/c1-4-6(2,3)5-7/h7H,4H2,1-3H3",52.343779999999995,39.75448,
13868,[C:1]([C:2]([C@@:3]1([C:4]([H:13])([H:14])[H:15])[C:5]([H:16])([H:17])[C@:6]1([O:7][H:19])[H:18])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:5]([C@:6]([C:3][C:4]([H:13])([H:14])[H:15])([O:7][H:19])[H:18])([H:16])[H:17])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-3-6(2)4-5(6)7/h5,7H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C6H12O/c1-3-5-6(7)4-2/h6-7H,3,5H2,1-2H3/t6-/m0/s1",92.61273,62.11022,
13869,[C:1]([C:2]([C@@:3]1([C:4]([H:13])([H:14])[H:15])[C:5]([H:16])([H:17])[C@:6]1([O:7][H:19])[H:18])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]1=[C:5]([H:16])[C@:6]1([O:7][H:19])[H:18])([H:11])[H:12])([H:8])([H:9])[H:10].[C:4]([H:13])([H:14])([H:15])[H:17],"InChI=1S/C6H12O/c1-3-6(2)4-5(6)7/h5,7H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C5H8O.CH4/c1-2-4-3-5(4)6;/h3,5-6H,2H2,1H3;1H4/t5-;/m1./s1",112.9186,34.87916,
13870,[C:1]([C:2]([C@@:3]1([C:4]([H:13])([H:14])[H:15])[C:5]([H:16])([H:17])[C@:6]1([O:7][H:19])[H:18])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:12].[C:2]([C@@:3]1([C:4]([H:13])([H:14])[H:15])[C:5]([H:16])([H:17])[C@:6]1([O:7][H:19])[H:18])[H:11],"InChI=1S/C6H12O/c1-3-6(2)4-5(6)7/h5,7H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C5H8O.CH4/c1-5(2)3-4(5)6;/h1,4,6H,3H2,2H3;1H4/t4-,5-;/m1./s1",81.47563000000001,88.71213,
13871,[C:1]([C:2]([C@@:3]1([C:4]([H:13])([H:14])[H:15])[C:5]([H:16])([H:17])[C@:6]1([O:7][H:19])[H:18])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3](=[C:4]([H:13])[H:14])[C:5]([C:6][O:7][H:19])([H:16])[H:17])([H:11])[H:12])([H:8])([H:9])[H:10].[H:15][H:18],"InChI=1S/C6H12O/c1-3-6(2)4-5(6)7/h5,7H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C6H10O.H2/c1-3-6(2)4-5-7;/h7H,2-4H2,1H3;1H",82.15921999999999,69.27176,
13872,[C:1]([C:2](=[O:3])[C@@:4]([O:5][H:12])([C:6](=[O:7])[H:13])[H:11])([H:8])([H:9])[H:10],[C:1](=[C:2]=[O:3])([H:8])[H:9].[C:4](\[O:5][H:12])(=[C:6](\[O:7][H:10])[H:13])[H:11],"InChI=1S/C4H6O3/c1-3(6)4(7)2-5/h2,4,7H,1H3/t4-/m0/s1",InChI=1S/C2H4O2.C2H2O/c3-1-2-4;1-2-3/h1-4H;1H2/b2-1-;,42.62408,30.20903,Retroene
13873,[C:1]([C:2](=[O:3])[C@@:4]([O:5][H:12])([C:6](=[O:7])[H:13])[H:11])([H:8])([H:9])[H:10],[C:1](/[C:2]([O:3][C:6](=[O:7])[H:13])=[C:4](/[O:5][H:12])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H6O3/c1-3(6)4(7)2-5/h2,4,7H,1H3/t4-/m0/s1","InChI=1S/C4H6O3/c1-4(2-5)7-3-6/h2-3,5H,1H3/b4-2-",44.722390000000004,2.4592099999999997,ketoenol
13874,[C:1]([C:2](=[O:3])[C@@:4]([O:5][H:12])([C:6](=[O:7])[H:13])[H:11])([H:8])([H:9])[H:10],[C:1](=[C:2]([O:3][H:10])[C@@:4]([O:5][H:12])([C:6](=[O:7])[H:13])[H:11])([H:8])[H:9],"InChI=1S/C4H6O3/c1-3(6)4(7)2-5/h2,4,7H,1H3/t4-/m0/s1","InChI=1S/C4H6O3/c1-3(6)4(7)2-5/h2,4,6-7H,1H2/t4-/m0/s1",64.69572,10.343539999999999,ketoenol
13875,[C:1]([C:2](=[O:3])[C@@:4]([O:5][H:12])([C:6](=[O:7])[H:13])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]12[O:3][C:6]([H:13])([C@@:4]1([O:5][H:12])[H:11])[O:7]2)([H:8])([H:9])[H:10],"InChI=1S/C4H6O3/c1-3(6)4(7)2-5/h2,4,7H,1H3/t4-/m0/s1","InChI=1S/C4H6O3/c1-4-2(5)3(6-4)7-4/h2-3,5H,1H3/t2-,3?,4?/m0/s1",66.77019,60.24844,
13876,[C:1]([C:2](=[O:3])[C@@:4]([O:5][H:12])([C:6](=[O:7])[H:13])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2](=[O:3])[O:5]/[C:4](=[C:6](\[O:7][H:12])[H:13])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H6O3/c1-3(6)4(7)2-5/h2,4,7H,1H3/t4-/m0/s1","InChI=1S/C4H6O3/c1-4(6)7-3-2-5/h2-3,5H,1H3/b3-2-",39.53897,-2.53152,ketoenol
13877,[C:1]([C:2](=[O:3])[C@@:4]([O:5][H:12])([C:6](=[O:7])[H:13])[H:11])([H:8])([H:9])[H:10],[C-:2]#[O+:3].[C:1]([O:7]/[C:6](=[C:4](\[O:5][H:12])[H:11])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H6O3/c1-3(6)4(7)2-5/h2,4,7H,1H3/t4-/m0/s1","InChI=1S/C3H6O2.CO/c1-5-3-2-4;1-2/h2-4H,1H3;/b3-2-;",70.39649,24.08474,
13878,[C:1]([C:2](=[O:3])[C@@:4]([O:5][H:12])([C:6](=[O:7])[H:13])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2](=[O:3])[C@@:4]1([H:11])[O:5][C@:6]1([O:7][H:12])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H6O3/c1-3(6)4(7)2-5/h2,4,7H,1H3/t4-/m0/s1","InChI=1S/C4H6O3/c1-2(5)3-4(6)7-3/h3-4,6H,1H3/t3-,4-/m1/s1",49.93765,18.52443,
13879,[C:1]([C:2](=[O:3])[C@@:4]([O:5][H:12])([C:6](=[O:7])[H:13])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([O:3][H:12])[C@@:4]([C:6](=[O:7])[H:13])([H:11])[O:5]1)([H:8])([H:9])[H:10],"InChI=1S/C4H6O3/c1-3(6)4(7)2-5/h2,4,7H,1H3/t4-/m0/s1","InChI=1S/C4H6O3/c1-4(6)3(2-5)7-4/h2-3,6H,1H3/t3-,4-/m0/s1",48.98465,15.451070000000001,
13880,[C:1]([C:2](=[O:3])[C@@:4]([O:5][H:12])([C:6](=[O:7])[H:13])[H:11])([H:8])([H:9])[H:10],[C-:6]#[O+:7].[C:1](/[C:2]([O:3][H:13])=[C:4](\[O:5][H:12])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H6O3/c1-3(6)4(7)2-5/h2,4,7H,1H3/t4-/m0/s1","InChI=1S/C3H6O2.CO/c1-3(5)2-4;1-2/h2,4-5H,1H3;/b3-2+;",36.24241,11.70918,
13881,[C:1]([C:2](=[O:3])[C@@:4]([O:5][H:12])([C:6](=[O:7])[H:13])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2](=[O:3])/[C:4]([O:5][H:11])=[C:6](/[O:7][H:12])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H6O3/c1-3(6)4(7)2-5/h2,4,7H,1H3/t4-/m0/s1","InChI=1S/C4H6O3/c1-3(6)4(7)2-5/h2,5,7H,1H3/b4-2-",52.97748000000001,-1.8831799999999999,ketoenol
13882,[C:1]([C:2](=[O:3])[C@@:4]([O:5][H:12])([C:6](=[O:7])[H:13])[H:11])([H:8])([H:9])[H:10],[C-:6]#[O+:7].[C:1]([H:8])([H:9])([H:10])[H:13].[C:2](=[O:3])=[C:4]([O:5][H:12])[H:11],"InChI=1S/C4H6O3/c1-3(6)4(7)2-5/h2,4,7H,1H3/t4-/m0/s1","InChI=1S/C2H2O2.CO.CH4/c3-1-2-4;1-2;/h1,3H;;1H4",82.47907,31.63355,
13883,[C:1]([C:2](=[O:3])[C@@:4]([O:5][H:12])([C:6](=[O:7])[H:13])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2](=[O:3])[H:10])([C@@:4]([O:5][H:12])([C:6](=[O:7])[H:13])[H:11])([H:8])[H:9],"InChI=1S/C4H6O3/c1-3(6)4(7)2-5/h2,4,7H,1H3/t4-/m0/s1","InChI=1S/C4H6O3/c5-2-1-4(7)3-6/h2-4,7H,1H2/t4-/m1/s1",73.93494,7.47583,
13884,[C:1]([C:2](=[O:3])[C@@:4]([O:5][H:12])([C:6](=[O:7])[H:13])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2](=[O:3])[C@@:4]([O:5][H:12])([C:6][O:7][H:13])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H6O3/c1-3(6)4(7)2-5/h2,4,7H,1H3/t4-/m0/s1","InChI=1S/C4H6O3/c1-3(6)4(7)2-5/h4-5,7H,1H3/t4-/m0/s1",81.32087,57.65197,
13885,[C:1]([C:2](=[O:3])[C@@:4]([O:5][H:12])([C:6](=[O:7])[H:13])[H:11])([H:8])([H:9])[H:10],[C:1](/[C:2]([O:3][H:11])=[C:4](\[O:5][H:12])[C:6](=[O:7])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H6O3/c1-3(6)4(7)2-5/h2,4,7H,1H3/t4-/m0/s1","InChI=1S/C4H6O3/c1-3(6)4(7)2-5/h2,6-7H,1H3/b4-3+",46.16783,-2.13738,ketoenol
13886,[C:1]([C:2](=[O:3])[C@@:4]([O:5][H:12])([C:6](=[O:7])[H:13])[H:11])([H:8])([H:9])[H:10],[C:1]([C@:2]1([H:11])[O:3][C@@:4]1([O:5][H:12])[C:6](=[O:7])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H6O3/c1-3(6)4(7)2-5/h2,4,7H,1H3/t4-/m0/s1","InChI=1S/C4H6O3/c1-3-4(6,2-5)7-3/h2-3,6H,1H3/t3-,4-/m0/s1",53.545880000000004,18.31814,
13887,[C:1]([C:2](=[O:3])[C@@:4]([O:5][H:12])([C:6](=[O:7])[H:13])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2](=[O:3])[C:4]([O:5][H:12])=[C:6]=[O:7])([H:8])([H:9])[H:10].[H:11][H:13],"InChI=1S/C4H6O3/c1-3(6)4(7)2-5/h2,4,7H,1H3/t4-/m0/s1","InChI=1S/C4H4O3.H2/c1-3(6)4(7)2-5;/h7H,1H3;1H",59.26928,28.213240000000003,
13888,[C:1]([C:2](=[O:3])[C@@:4]([O:5][H:12])([C:6](=[O:7])[H:13])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([O:3][H:12])([C:4](=[O:5])[H:11])[C:6](=[O:7])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H6O3/c1-3(6)4(7)2-5/h2,4,7H,1H3/t4-/m0/s1","InChI=1S/C4H6O3/c1-4(7,2-5)3-6/h2-3,7H,1H3",34.11019,8.632819999999999,
13889,[C:1]([C:2](=[O:3])[C@@:4]([O:5][H:12])([C:6](=[O:7])[H:13])[H:11])([H:8])([H:9])[H:10],[C:1](=[C:2]=[O:3])([H:8])[H:9].[C:4]([O:5][H:12])([C:6](=[O:7])[H:13])([H:10])[H:11],"InChI=1S/C4H6O3/c1-3(6)4(7)2-5/h2,4,7H,1H3/t4-/m0/s1","InChI=1S/C2H4O2.C2H2O/c3-1-2-4;1-2-3/h1,4H,2H2;1H2",62.548559999999995,25.25958,
13890,[C:1]([C:2](=[O:3])[C@@:4]([O:5][H:12])([C:6](=[O:7])[H:13])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([O+:7]=[C-:6][H:13])[O:3][C@:4]1([O:5][H:12])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H6O3/c1-3(6)4(7)2-5/h2,4,7H,1H3/t4-/m0/s1","InChI=1S/C4H6O3/c1-4(6-2)3(5)7-4/h2-3,5H,1H3/t3-,4-/m1/s1",92.49150999999999,86.53021,
13891,[C:1]([C:2](=[O:3])[C@@:4]([O:5][H:12])([C:6](=[O:7])[H:13])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([O:5][H:12])[O:3][O:7][C:6]([H:13])=[C:4]1[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H6O3/c1-3(6)4(7)2-5/h2,4,7H,1H3/t4-/m0/s1","InChI=1S/C4H6O3/c1-4(5)2-3-6-7-4/h2-3,5H,1H3/t4-/m1/s1",73.88184,61.124309999999994,
13892,[C:1]([C:2](=[O:3])[C@@:4]([O:5][H:12])([C:6](=[O:7])[H:13])[H:11])([H:8])([H:9])[H:10],[C:1]([O+:3]=[C-:2][C@@:4]([O:5][H:12])([C:6](=[O:7])[H:13])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H6O3/c1-3(6)4(7)2-5/h2,4,7H,1H3/t4-/m0/s1","InChI=1S/C4H6O3/c1-7-3-4(6)2-5/h2,4,6H,1H3/t4-/m0/s1",109.10375,71.83310999999999,
13893,[C:1]([C:2](=[O:3])[C@@:4]([O:5][H:12])([C:6](=[O:7])[H:13])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2](=[O:3])[C:4](=[O:5])[C:6]([O:7][H:12])([H:11])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H6O3/c1-3(6)4(7)2-5/h2,4,7H,1H3/t4-/m0/s1","InChI=1S/C4H6O3/c1-3(6)4(7)2-5/h5H,2H2,1H3",34.949090000000005,0.30506,
13894,[C:1]([C:2](=[O:3])[C@@:4]([O:5][H:12])([C:6](=[O:7])[H:13])[H:11])([H:8])([H:9])[H:10],[C:1](=[C:2]1[O:3][C@@:6]([O:7][H:10])([H:13])[C@@:4]1([O:5][H:12])[H:11])([H:8])[H:9],"InChI=1S/C4H6O3/c1-3(6)4(7)2-5/h2,4,7H,1H3/t4-/m0/s1","InChI=1S/C4H6O3/c1-2-3(5)4(6)7-2/h3-6H,1H2/t3-,4+/m1/s1",59.53005,24.57955,
13895,[C:1]([C:2](=[O:3])[C@@:4]([O:5][H:12])([C:6](=[O:7])[H:13])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2](=[O:3])/[C:4](=[C:6](\[O:7][O:5][H:12])[H:13])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H6O3/c1-3(6)4(7)2-5/h2,4,7H,1H3/t4-/m0/s1","InChI=1S/C4H6O3/c1-4(5)2-3-7-6/h2-3,6H,1H3/b3-2-",90.44048000000001,69.36542,ketoenol
13896,[C:1]([C:2](=[O:3])[C@@:4]([O:5][H:12])([C:6](=[O:7])[H:13])[H:11])([H:8])([H:9])[H:10],[C-:6]#[O+:7].[C:1]([C:2](=[O:3])[C:4]([O:5][H:12])([H:11])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H6O3/c1-3(6)4(7)2-5/h2,4,7H,1H3/t4-/m0/s1","InChI=1S/C3H6O2.CO/c1-3(5)2-4;1-2/h4H,2H2,1H3;",63.962959999999995,4.75324,"1,2_Insertion_CO"
13897,[C:1]([C:2](=[O:3])[C@@:4]([O:5][H:12])([C:6](=[O:7])[H:13])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]12[O:3][C@:4]1([H:11])[C@:6]([O:5][H:12])([H:13])[O:7]2)([H:8])([H:9])[H:10],"InChI=1S/C4H6O3/c1-3(6)4(7)2-5/h2,4,7H,1H3/t4-/m0/s1","InChI=1S/C4H6O3/c1-4-2(6-4)3(5)7-4/h2-3,5H,1H3/t2-,3+,4+/m1/s1",69.42673,41.99174,
13898,[C:1]([C:2](=[O:3])[C@@:4]([O:5][H:12])([C:6](=[O:7])[H:13])[H:11])([H:8])([H:9])[H:10],[C:1](/[C:2]([O:3][H:12])=[C:4](/[O:5][C:6](=[O:7])[H:13])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H6O3/c1-3(6)4(7)2-5/h2,4,7H,1H3/t4-/m0/s1","InChI=1S/C4H6O3/c1-4(6)2-7-3-5/h2-3,6H,1H3/b4-2-",35.81151,1.30954,
13899,[C:1]([C:2](=[O:3])[C@@:4]([O:5][H:12])([C:6](=[O:7])[H:13])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:4]([H:11])[C@:6]([O:5][H:12])([H:13])[O:7][O:3]1)([H:8])([H:9])[H:10],"InChI=1S/C4H6O3/c1-3(6)4(7)2-5/h2,4,7H,1H3/t4-/m0/s1","InChI=1S/C4H6O3/c1-3-2-4(5)7-6-3/h2,4-5H,1H3/t4-/m0/s1",74.4949,59.02855,
13900,[C:1]([C:2]([N:3](/[C:4](=[N:5]/[H:14])[C:6]#[N:7])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([N:3]([C:4](=[N:5][H:14])[N+:7]#[C-:6])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H7N3/c1-2-7-4(6)3-5/h2H2,1H3,(H2,6,7)","InChI=1S/C4H7N3/c1-3-7-4(5)6-2/h3H2,1H3,(H2,5,7)",48.273579999999995,21.25921,
13901,[C:1]([C:2]([N:3](/[C:4](=[N:5]/[H:14])[C:6]#[N:7])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([N:3]([N:7]=[C:6]=[C:4]=[N:5][H:14])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H7N3/c1-2-7-4(6)3-5/h2H2,1H3,(H2,6,7)","InChI=1S/C4H7N3/c1-2-6-7-4-3-5/h5-6H,2H2,1H3",91.8137,54.31251999999999,
13902,[C:1]([C:2]([N:3](/[C:4](=[N:5]/[H:14])[C:6]#[N:7])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([N:3]([C:4]1=[C:6]=[N+:7]([H:14])[N-:5]1)[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H7N3/c1-2-7-4(6)3-5/h2H2,1H3,(H2,6,7)","InChI=1S/C4H7N3/c1-2-5-4-3-6-7-4/h5-6H,2H2,1H3",127.54869,100.37771,
13903,[C:1]([C:2]([N:3](/[C:4](=[N:5]/[H:14])[C:6]#[N:7])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([N:3]([C:4]#[N:5])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10].[C:6]=[N:7][H:14],"InChI=1S/C4H7N3/c1-2-7-4(6)3-5/h2H2,1H3,(H2,6,7)","InChI=1S/C3H6N2.CHN/c1-2-5-3-4;1-2/h5H,2H2,1H3;2H",60.20358,42.7804,
13904,[C:1]([C:2]([N:3](/[C:4](=[N:5]/[H:14])[C:6]#[N:7])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C-:2]([N+:3](/[C:4](=[N:5]/[H:14])[C:6]#[N:7])([H:11])[H:13])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H7N3/c1-2-7-4(6)3-5/h2H2,1H3,(H2,6,7)","InChI=1S/C4H7N3/c1-2-7-4(6)3-5/h2,6H,7H2,1H3/b6-4+",87.03772,82.03308,
13905,[C:1]([C:2]([N:3](/[C:4](=[N:5]/[H:14])[C:6]#[N:7])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[N:3]([H:13])[C:4]([N-:5][H:14])=[C+:6][N:7]1[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H7N3/c1-2-7-4(6)3-5/h2H2,1H3,(H2,6,7)","InChI=1S/C4H7N3/c1-3-6-2-4(5)7-3/h3,5-7H,1H3/t3-/m1/s1",73.03947,34.72012,
13906,[C:1]([C:2]([N:3](/[C:4](=[N:5]/[H:14])[C:6]#[N:7])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:6]#[N:7])([H:11])[H:12])([H:8])([H:9])[H:10].[N:3](=[C:4]=[N:5][H:14])[H:13],"InChI=1S/C4H7N3/c1-2-7-4(6)3-5/h2H2,1H3,(H2,6,7)","InChI=1S/C3H5N.CH2N2/c1-2-3-4;2-1-3/h2H2,1H3;2-3H",88.22479,5.9221699999999995,
13907,[C:1]([C:2]([N:3](/[C:4](=[N:5]/[H:14])[C:6]#[N:7])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([N:3]([C:4][N:5]([C:6]#[N:7])[H:14])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H7N3/c1-2-7-4(6)3-5/h2H2,1H3,(H2,6,7)","InChI=1S/C4H7N3/c1-2-6-4-7-3-5/h6-7H,2H2,1H3",66.50152,42.04675,
13908,[C:1]([C:2]([N:3](/[C:4](=[N:5]/[H:14])[C:6]#[N:7])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([N:3]([C:4]#[C:6]/[N:7]=[N:5]\[H:14])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H7N3/c1-2-7-4(6)3-5/h2H2,1H3,(H2,6,7)","InChI=1S/C4H7N3/c1-2-6-3-4-7-5/h5-6H,2H2,1H3/b7-5-",122.41075,70.12592,
13909,[C:1]([C:2]([N:3](/[C:4](=[N:5]/[H:14])[C:6]#[N:7])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([N:3]=[C:4]=[N:5][H:14])([H:11])[H:12])([H:8])([H:9])[H:10].[C:6]=[N:7][H:13],"InChI=1S/C4H7N3/c1-2-7-4(6)3-5/h2H2,1H3,(H2,6,7)","InChI=1S/C3H6N2.CHN/c1-2-5-3-4;1-2/h4H,2H2,1H3;2H",56.606559999999995,40.22388,
13910,[C:1]([C:2]([N:3](/[C:4](=[N:5]/[H:14])[C:6]#[N:7])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([N:5]([C:4]([N:3]([C+:2]([H:11])[H:12])[H:13])=[C:6]=[N-:7])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C4H7N3/c1-2-7-4(6)3-5/h2H2,1H3,(H2,6,7)","InChI=1S/C4H7N3/c1-6-4(3-5)7-2/h6-7H,1H2,2H3",70.67334,36.6086,
13911,[C:1]([C:2]([N:3](/[C:4](=[N:5]/[H:14])[C:6]#[N:7])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](=[C:2](/[N:3]=[C:4](\[N:5]([H:12])[H:14])[C:6]#[N:7])[H:11])([H:9])[H:10].[H:8][H:13],"InChI=1S/C4H7N3/c1-2-7-4(6)3-5/h2H2,1H3,(H2,6,7)","InChI=1S/C4H5N3.H2/c1-2-7-4(6)3-5;/h2H,1H2,(H2,6,7);1H",89.14884,28.487090000000002,
13912,[C:1]([C:2]([N:3](/[C:4](=[N:5]/[H:14])[C:6]#[N:7])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:6](/[C:4]([N:3]([C+:2]([H:11])[H:12])[H:13])=[N:5]\[H:14])=[N-:7])([H:8])([H:9])[H:10],"InChI=1S/C4H7N3/c1-2-7-4(6)3-5/h2H2,1H3,(H2,6,7)","InChI=1S/C4H7N3/c1-3(5)4(6)7-2/h2H2,1H3,(H2,6,7)",83.02221999999999,67.98834000000001,
13913,[C:1]([C:2]([N:3](/[C:4](=[N:5]/[H:14])[C:6]#[N:7])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C-:2]([N+:3](=[C:4]([N:5]([H:11])[H:14])[C:6]#[N:7])[H:13])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H7N3/c1-2-7-4(6)3-5/h2H2,1H3,(H2,6,7)","InChI=1S/C4H7N3/c1-2-7-4(6)3-5/h2,7H,6H2,1H3",39.240970000000004,26.99682,
13914,[C:1]([C:2]([N:3](/[C:4](=[N:5]/[H:14])[C:6]#[N:7])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C-:2](=[N+:3](/[C:4](=[N:5]/[H:14])[C:6]#[N:7])[H:13])[H:12].[C:1]([H:8])([H:9])([H:10])[H:11],"InChI=1S/C4H7N3/c1-2-7-4(6)3-5/h2H2,1H3,(H2,6,7)","InChI=1S/C3H3N3.CH4/c1-6-3(5)2-4;/h1,5-6H;1H4/b5-3+;",73.96463,69.71733,
13915,[C:1]([C:2]([N:3](/[C:4](=[N:5]/[H:14])[C:6]#[N:7])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([N:3]([C:4][N:5]([N+:7]#[C-:6])[H:14])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H7N3/c1-2-7-4(6)3-5/h2H2,1H3,(H2,6,7)","InChI=1S/C4H7N3/c1-3-6-4-7-5-2/h6-7H,3H2,1H3",101.23161,89.31486,
13916,[C:1]([C:2]([N:3](/[C:4](=[N:5]/[H:14])[C:6]#[N:7])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2](/[N:3]=[C:4](/[N:5]([H:13])[H:14])[C:6]#[N:7])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H7N3/c1-2-7-4(6)3-5/h2H2,1H3,(H2,6,7)","InChI=1S/C4H7N3/c1-2-7-4(6)3-5/h2H2,1H3,(H2,6,7)",39.98935,-0.01261,
13917,[C:1]([C:2]([N:3](/[C:4](=[N:5]/[H:14])[C:6]#[N:7])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]1([H:9])([H:10])[C:2]([H:11])([H:12])[N:3]([H:13])[C:4](=[N:5]/[H:14])/[C:6]1=[N:7]/[H:8],"InChI=1S/C4H7N3/c1-2-7-4(6)3-5/h2H2,1H3,(H2,6,7)","InChI=1S/C4H7N3/c5-3-1-2-7-4(3)6/h5H,1-2H2,(H2,6,7)/b5-3+",85.7612,-4.50488,
13918,[C:1]([C:2]([N:3](/[C:4](=[N:5]/[H:14])[C:6]#[N:7])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](=[C:2]([H:11])[H:12])([H:9])[H:10].[N-:3]([C+:4]([N:5]([H:8])[H:14])[C:6]#[N:7])[H:13],"InChI=1S/C4H7N3/c1-2-7-4(6)3-5/h2H2,1H3,(H2,6,7)","InChI=1S/C2H3N3.C2H4/c3-1-2(4)5;1-2/h4H,5H2;1-2H2",43.01462,22.41076,Retroene
13919,[C:1]([C:2]([N:3](/[C:4](=[N:5]/[H:14])[C:6]#[N:7])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([H:11])([H:12])[H:13])([H:8])([H:9])[H:10].[N:3](=[C:4]=[N:5][H:14])[C:6]#[N:7],"InChI=1S/C4H7N3/c1-2-7-4(6)3-5/h2H2,1H3,(H2,6,7)",InChI=1S/C2HN3.C2H6/c3-1-5-2-4;1-2/h3H;1-2H3,80.94405,15.54394,
13920,[C:1]([C:2]([N:3](/[C:4](=[N:5]/[H:14])[C:6]#[N:7])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](/[C:2](=[N:3]/[C:4](=[N:5]/[H:14])[C:6]#[N:7])[H:12])([H:8])([H:9])[H:10].[H:11][H:13],"InChI=1S/C4H7N3/c1-2-7-4(6)3-5/h2H2,1H3,(H2,6,7)","InChI=1S/C4H5N3.H2/c1-2-7-4(6)3-5;/h2,6H,1H3;1H/b6-4+,7-2+;",90.74543,28.7344,
13921,[C:1]([C:2]([N:3](/[C:4](=[N:5]/[H:14])[C:6]#[N:7])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([N:3]([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10].[C:4](#[N:5])[C:6]#[N:7],"InChI=1S/C4H7N3/c1-2-7-4(6)3-5/h2H2,1H3,(H2,6,7)","InChI=1S/C2N2.C2H7N/c3-1-2-4;1-2-3/h;2-3H2,1H3",56.50598000000001,23.85985,
13922,[C:1]([C:2]([N:3](/[C:4](=[N:5]/[H:14])[C:6]#[N:7])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([N:3]([C:2]([N:5]([C+:4]=[C:6]=[N-:7])[H:14])([H:11])[H:12])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H7N3/c1-2-7-4(6)3-5/h2H2,1H3,(H2,6,7)","InChI=1S/C4H7N3/c1-6-4-7-3-2-5/h6-7H,4H2,1H3",114.93428999999999,51.29317,
13923,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([N:4]([C:5]([H:15])([H:16])[H:17])[C:6](=[O:7])[H:18])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])(/[N:4]=[C:6](/[O:7][C:5]([H:15])([H:16])[H:17])[H:18])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H11NO/c1-5(2)6(3)4-7/h4-5H,1-3H3","InChI=1S/C5H11NO/c1-5(2)6-4-7-3/h4-5H,1-3H3/b6-4+",61.88066,14.996529999999998,ketoenol
13924,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([N:4]([C:5]([H:15])([H:16])[H:17])[C:6](=[O:7])[H:18])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([O:7]/[C:6](=[N:4]/[C:5]([H:15])([H:16])[H:17])[H:18])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H11NO/c1-5(2)6(3)4-7/h4-5H,1-3H3","InChI=1S/C5H11NO/c1-5(2)7-4-6-3/h4-5H,1-3H3/b6-4+",56.39034,14.84435,ketoenol
13925,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([N:4]([C:5]([H:15])([H:16])[H:17])[C:6](=[O:7])[H:18])[H:11])([H:8])([H:9])[H:10],[C:1]1([H:8])([H:9])[C@:2]([C:3]([H:12])([H:13])[H:14])([H:11])[N:4]1[C:5]([H:15])([H:16])[H:17].[C:6](=[O:7])([H:10])[H:18],"InChI=1S/C5H11NO/c1-5(2)6(3)4-7/h4-5H,1-3H3","InChI=1S/C4H9N.CH2O/c1-4-3-5(4)2;1-2/h4H,3H2,1-2H3;1H2/t4-,5?;/m1./s1",99.77244,58.26518000000001,
13926,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([N:4]([C:5]([H:15])([H:16])[H:17])[C:6](=[O:7])[H:18])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([N:4]1[C@:6]([C:5]([H:15])([H:16])[H:17])([H:18])[O:7]1)[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H11NO/c1-5(2)6(3)4-7/h4-5H,1-3H3","InChI=1S/C5H11NO/c1-4(2)6-5(3)7-6/h4-5H,1-3H3/t5-,6?/m1/s1",95.08155,65.04115999999999,
13927,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([N:4]([C:5]([H:15])([H:16])[H:17])[C:6](=[O:7])[H:18])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:13])([H:14])[C@@:6]([O:7][H:12])([H:18])[N:4]1[C:5]([H:15])([H:16])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C5H11NO/c1-5(2)6(3)4-7/h4-5H,1-3H3","InChI=1S/C5H11NO/c1-4-3-5(7)6(4)2/h4-5,7H,3H2,1-2H3/t4-,5-/m0/s1",89.5399,30.75988,
13928,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([N:4]([C:5]([H:15])([H:16])[H:17])[C:6](=[O:7])[H:18])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])(/[N:4]=[C:6](\[O:7][H:11])[H:18])[C:5]([H:15])([H:16])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C5H11NO/c1-5(2)6(3)4-7/h4-5H,1-3H3","InChI=1S/C5H11NO/c1-5(2,3)6-4-7/h4H,1-3H3,(H,6,7)",113.47056,6.801089999999999,
13929,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([N:4]([C:5]([H:15])([H:16])[H:17])[C:6](=[O:7])[H:18])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2](=[N+:4]([C-:5]([H:15])[H:16])[C:6](=[O:7])[H:18])[H:11])([H:8])([H:9])[H:10].[C:3]([H:12])([H:13])([H:14])[H:17],"InChI=1S/C5H11NO/c1-5(2)6(3)4-7/h4-5H,1-3H3","InChI=1S/C4H7NO.CH4/c1-3-5(2)4-6;/h3-4H,2H2,1H3;1H4",78.03818000000001,55.95158000000001,
13930,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([N:4]([C:5]([H:15])([H:16])[H:17])[C:6](=[O:7])[H:18])[H:11])([H:8])([H:9])[H:10],[C:1]([C-:2]([N+:4]([C:5]([H:15])([H:16])[H:17])=[C:6]([O:7][C:3]([H:12])([H:13])[H:14])[H:18])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H11NO/c1-5(2)6(3)4-7/h4-5H,1-3H3","InChI=1S/C5H11NO/c1-4-6(2)5-7-3/h4-5H,1-3H3",82.29879,70.09789,
13931,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([N:4]([C:5]([H:15])([H:16])[H:17])[C:6](=[O:7])[H:18])[H:11])([H:8])([H:9])[H:10],[C-:6]#[O+:7].[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([N:4]([C:5]([H:15])([H:16])[H:17])[H:18])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H11NO/c1-5(2)6(3)4-7/h4-5H,1-3H3","InChI=1S/C4H11N.CO/c1-4(2)5-3;1-2/h4-5H,1-3H3;",74.42841999999999,18.08425,"1,2_Insertion_CO"
13932,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([N:4]([C:5]([H:15])([H:16])[H:17])[C:6](=[O:7])[H:18])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]([H:13])[H:14])[H:11])([H:8])([H:9])[H:10].[N:4](\[C:5]([H:15])([H:16])[H:17])=[C:6](/[O:7][H:12])[H:18],"InChI=1S/C5H11NO/c1-5(2)6(3)4-7/h4-5H,1-3H3","InChI=1S/C3H6.C2H5NO/c1-3-2;1-3-2-4/h3H,1H2,2H3;2H,1H3,(H,3,4)",48.29002,26.861320000000003,Retroene
13933,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([N:4]([C:5]([H:15])([H:16])[H:17])[C:6](=[O:7])[H:18])[H:11])([H:8])([H:9])[H:10],[C-:6]#[O+:7].[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([N:4]=[C:5]([H:15])[H:16])[H:11])([H:8])([H:9])[H:10].[H:17][H:18],"InChI=1S/C5H11NO/c1-5(2)6(3)4-7/h4-5H,1-3H3","InChI=1S/C4H9N.CO.H2/c1-4(2)5-3;1-2;/h4H,3H2,1-2H3;;1H",71.66211,40.54864,
13934,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([N:4]([C:5]([H:15])([H:16])[H:17])[C:6](=[O:7])[H:18])[H:11])([H:8])([H:9])[H:10],[C:1](/[C:2](=[N:4]\[C:5]([H:15])([H:16])[H:17])[H:11])([H:8])([H:9])[H:10].[C:3]([C:6](=[O:7])[H:18])([H:12])([H:13])[H:14],"InChI=1S/C5H11NO/c1-5(2)6(3)4-7/h4-5H,1-3H3","InChI=1S/C3H7N.C2H4O/c1-3-4-2;1-2-3/h3H,1-2H3;2H,1H3/b4-3-;",85.07091,30.603270000000002,
13935,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([N:4]([C:5]([H:15])([H:16])[H:17])[C:6](=[O:7])[H:18])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]([C:3]([H:12])([H:13])[H:14])([N:4]([C:6](=[O:7])[H:18])[H:17])[H:11])([C:5]([H:8])([H:15])[H:16])([H:9])[H:10],"InChI=1S/C5H11NO/c1-5(2)6(3)4-7/h4-5H,1-3H3","InChI=1S/C5H11NO/c1-3-5(2)6-4-7/h4-5H,3H2,1-2H3,(H,6,7)/t5-/m1/s1",98.49669,-5.17558,
13936,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([N:4]([C:5]([H:15])([H:16])[H:17])[C:6](=[O:7])[H:18])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([N+:4]([C-:5]([H:15])[H:16])([C:6](=[O:7])[H:18])[H:17])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H11NO/c1-5(2)6(3)4-7/h4-5H,1-3H3","InChI=1S/C5H11NO/c1-5(2)6(3)4-7/h4-6H,3H2,1-2H3",88.9875,71.25225999999999,
13937,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([N:4]([C:5]([H:15])([H:16])[H:17])[C:6](=[O:7])[H:18])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([N:4]([C:5]([H:15])([H:16])[H:17])[H:11])[C:6](=[O:7])[H:18])([H:8])([H:9])[H:10],"InChI=1S/C5H11NO/c1-5(2)6(3)4-7/h4-5H,1-3H3","InChI=1S/C5H11NO/c1-5(2,4-7)6-3/h4,6H,1-3H3",95.54997,17.53265,
13938,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])([H:15])[C:5]([H:16])([H:17])[C:6]([H:18])([H:19])[C:7]1([H:20])[H:21],[C:1]([C:2]([H:10])([H:11])[H:19])([C:7]([C:6](=[C:5]([H:16])[H:17])[H:18])([H:20])[H:21])([H:8])[H:9].[C:3](=[C:4]([H:14])[H:15])([H:12])[H:13],InChI=1S/C7H14/c1-2-4-6-7-5-3-1/h1-7H2,"InChI=1S/C5H10.C2H4/c1-3-5-4-2;1-2/h3H,1,4-5H2,2H3;1-2H2",94.4706,35.48019,
13939,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])([H:15])[C:5]([H:16])([H:17])[C:6]([H:18])([H:19])[C:7]1([H:20])[H:21],[C:1](=[C:2]([C:3]([C:4]([C:5]([C:6](=[C:7]([H:20])[H:21])[H:19])([H:16])[H:17])([H:14])[H:15])([H:12])[H:13])[H:10])([H:8])[H:9].[H:11][H:18],InChI=1S/C7H14/c1-2-4-6-7-5-3-1/h1-7H2,"InChI=1S/C7H12.H2/c1-3-5-7-6-4-2;/h3-4H,1-2,5-7H2;1H",79.58296,44.909040000000005,
13940,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])([H:15])[C:5]([H:16])([H:17])[C:6]([H:18])([H:19])[C:7]1([H:20])[H:21],[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])([H:15])[C:5]([H:16])=[C:6]([H:19])[C:7]1([H:20])[H:21].[H:17][H:18],InChI=1S/C7H14/c1-2-4-6-7-5-3-1/h1-7H2,"InChI=1S/C7H12.H2/c1-2-4-6-7-5-3-1;/h1-2H,3-7H2;1H",103.2678,25.653570000000002,
13941,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])([H:15])[C:5]([H:16])([H:17])[C:6]([H:18])([H:19])[C:7]1([H:20])[H:21],[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:5]([C:4]([C:3]([H:12])([H:13])[H:16])([H:14])[H:15])([H:17])[C:6]([H:18])([H:19])[C:7]1([H:20])[H:21],InChI=1S/C7H14/c1-2-4-6-7-5-3-1/h1-7H2,"InChI=1S/C7H14/c1-2-7-5-3-4-6-7/h7H,2-6H2,1H3",121.28674,-0.80737,
13942,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])([H:15])[C:5]([H:16])([H:17])[C:6]([H:18])([H:19])[C:7]1([H:20])[H:21],[C:1]([C:2]([C:3]([H:12])([H:13])[H:16])([H:10])[H:11])([C:7]([C:6]([C:5](=[C:4]([H:14])[H:15])[H:17])([H:18])[H:19])([H:20])[H:21])([H:8])[H:9],InChI=1S/C7H14/c1-2-4-6-7-5-3-1/h1-7H2,"InChI=1S/C7H14/c1-3-5-7-6-4-2/h3H,1,4-7H2,2H3",91.52156,16.3474,
13943,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])([H:15])[C:5]([H:16])([H:17])[C:6]([H:18])([H:19])[C:7]1([H:20])[H:21],[C:1]1([H:8])([H:9])[C:2]([C:3]([H:11])([H:12])[H:13])([H:10])[C:4]([H:14])([H:15])[C:5]([H:16])([H:17])[C:6]([H:18])([H:19])[C:7]1([H:20])[H:21],InChI=1S/C7H14/c1-2-4-6-7-5-3-1/h1-7H2,"InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3",113.03543,-1.05894,
13944,[C:1](#[C:2][c:3]1[c:4]([H:9])[n:5]([H:10])[n:6][c:7]1[H:11])[H:8],[C+:1]#[C:2][C:3]1=[C:4]([H:9])[N:5]([H:10])[N-:6][C:7]1([H:8])[H:11],"InChI=1S/C5H4N2/c1-2-5-3-6-7-4-5/h1,3-4H,(H,6,7)","InChI=1S/C5H4N2/c1-2-5-3-6-7-4-5/h3,6H,4H2",106.86351,73.49642,
13945,[C:1](#[C:2][c:3]1[c:4]([H:9])[n:5]([H:10])[n:6][c:7]1[H:11])[H:8],[C:1](#[C:2][C:7](=[C:3]=[C:4]([N:5]([N:6])[H:10])[H:9])[H:11])[H:8],"InChI=1S/C5H4N2/c1-2-5-3-6-7-4-5/h1,3-4H,(H,6,7)","InChI=1S/C5H4N2/c1-2-3-4-5-7-6/h1,3,5,7H",129.65106,82.1533,
13946,[C:1](#[C:2][c:3]1[c:4]([H:9])[n:5]([H:10])[n:6][c:7]1[H:11])[H:8],[C:1](#[C:2][C@:3]1([H:9])[C:4][N:5]([H:10])[N:6]=[C:7]1[H:11])[H:8],"InChI=1S/C5H4N2/c1-2-5-3-6-7-4-5/h1,3-4H,(H,6,7)","InChI=1S/C5H4N2/c1-2-5-3-6-7-4-5/h1,3,5,7H/t5-/m0/s1",70.12132,65.26263,Singlet_Carbene_Intra_Disproportionation
13947,[C:1](#[C:2][c:3]1[c:4]([H:9])[n:5]([H:10])[n:6][c:7]1[H:11])[H:8],[C-:1](=[C:2]1[C+:3]=[C:4]([H:9])[N:5]([H:10])[N:6]=[C:7]1[H:11])[H:8],"InChI=1S/C5H4N2/c1-2-5-3-6-7-4-5/h1,3-4H,(H,6,7)","InChI=1S/C5H4N2/c1-5-2-3-6-7-4-5/h1,3-4,6H",95.14754,98.07598,
13948,[C:1](#[C:2][c:3]1[c:4]([H:9])[n:5]([H:10])[n:6][c:7]1[H:11])[H:8],[C:1](=[C+:2][c:3]1[c-:4][n:5]([H:10])[n:6][c:7]1[H:11])([H:8])[H:9],"InChI=1S/C5H4N2/c1-2-5-3-6-7-4-5/h1,3-4H,(H,6,7)","InChI=1S/C5H4N2/c1-2-5-3-6-7-4-5/h3H,1H2,(H,6,7)",84.33587,48.05216,
13949,[C:1](#[C:2][c:3]1[c:4]([H:9])[n:5]([H:10])[n:6][c:7]1[H:11])[H:8],[C:1](#[C:2][C:4](=[C:3]=[C:7](/[N:6]=[N:5]/[H:10])[H:11])[H:9])[H:8],"InChI=1S/C5H4N2/c1-2-5-3-6-7-4-5/h1,3-4H,(H,6,7)","InChI=1S/C5H4N2/c1-2-3-4-5-7-6/h1,3,5-6H/b7-6+",88.44594000000001,64.04566,
13950,[C:1](#[C:2][c:3]1[c:4]([H:9])[n:5]([H:10])[n:6][c:7]1[H:11])[H:8],[C:1](#[C:2][C:3]#[C:4][H:9])[H:8].[N-:5]([N+:6]#[C:7][H:11])[H:10],"InChI=1S/C5H4N2/c1-2-5-3-6-7-4-5/h1,3-4H,(H,6,7)",InChI=1S/C4H2.CH2N2/c1-3-4-2;1-3-2/h1-2H;1-2H,96.39551,91.6529,
13951,[C:1](#[C:2][c:3]1[c:4]([H:9])[n:5]([H:10])[n:6][c:7]1[H:11])[H:8],[C:1](#[C:2][C:3]([C:4](=[N:5][H:10])[H:9])=[C:7]=[N:6][H:11])[H:8],"InChI=1S/C5H4N2/c1-2-5-3-6-7-4-5/h1,3-4H,(H,6,7)","InChI=1S/C5H4N2/c1-2-5(3-6)4-7/h1,3,6-7H",78.46059,19.56508,
13952,[C:1](#[C:2][c:3]1[c:4]([H:9])[n:5]([H:10])[n:6][c:7]1[H:11])[H:8],[C:1](#[C:2][c:3]1[c+:4]([H:9])[n:5]([H:10])[n:6]([H:11])[c-:7]1)[H:8],"InChI=1S/C5H4N2/c1-2-5-3-6-7-4-5/h1,3-4H,(H,6,7)","InChI=1S/C5H4N2/c1-2-5-3-6-7-4-5/h1,3,6-7H",78.44145,55.45384,
13953,[C:1](#[C:2][c:3]1[c:4]([H:9])[n:5]([H:10])[n:6][c:7]1[H:11])[H:8],[C:1](#[C:2][C:3]1=[C:7]([H:11])[N:6]=[N:5][C:4]1([H:9])[H:10])[H:8],"InChI=1S/C5H4N2/c1-2-5-3-6-7-4-5/h1,3-4H,(H,6,7)","InChI=1S/C5H4N2/c1-2-5-3-6-7-4-5/h1,3H,4H2",49.19601,28.65205,
13954,[C:1](#[C:2][c:3]1[c:4]([H:9])[n:5]([H:10])[n:6][c:7]1[H:11])[H:8],[C:1]1([H:8])=[C:2]=[C:3]=[C:4]([H:9])[N:5]([H:10])[N:6]=[C:7]1[H:11],"InChI=1S/C5H4N2/c1-2-5-3-6-7-4-5/h1,3-4H,(H,6,7)","InChI=1S/C5H4N2/c1-2-4-6-7-5-3-1/h2,4-5,7H",93.15978,60.622209999999995,
13955,[C:1](#[C:2][c:3]1[c:4]([H:9])[n:5]([H:10])[n:6][c:7]1[H:11])[H:8],[C:1](=[C:2])([c:3]1[c:4]([H:9])[n:5]([H:10])[n:6][c:7]1[H:11])[H:8],"InChI=1S/C5H4N2/c1-2-5-3-6-7-4-5/h1,3-4H,(H,6,7)","InChI=1S/C5H4N2/c1-2-5-3-6-7-4-5/h2-4H,(H,6,7)",53.65376,55.23228,Singlet_Carbene_Intra_Disproportionation
13956,[C:1](#[C:2][c:3]1[c:4]([H:9])[n:5]([H:10])[n:6][c:7]1[H:11])[H:8],[C:1](#[C:2][C@:3](/[C:4](=[N:5]/[H:10])[H:9])([C:7]#[N:6])[H:11])[H:8],"InChI=1S/C5H4N2/c1-2-5-3-6-7-4-5/h1,3-4H,(H,6,7)","InChI=1S/C5H4N2/c1-2-5(3-6)4-7/h1,3,5-6H/b6-3+/t5-/m1/s1",75.86338,16.691029999999998,
13957,[C:1](#[C:2][c:3]1[c:4]([H:9])[n:5]([H:10])[n:6][c:7]1[H:11])[H:8],[C:1]1([H:8])=[C:2]=[C:3](/[C:4](=[N:5]/[H:10])[H:9])[C:7]([H:11])=[N:6]1,"InChI=1S/C5H4N2/c1-2-5-3-6-7-4-5/h1,3-4H,(H,6,7)","InChI=1S/C5H4N2/c6-3-5-1-2-7-4-5/h2-4,6H/b6-3+",143.25214,55.08311,
13958,[C:1](#[C:2][c:3]1[c:4]([H:9])[n:5]([H:10])[n:6][c:7]1[H:11])[H:8],[C:1](#[C:2][C:7]([C:3]#[C:4][H:9])(/[N:6]=[N:5]/[H:10])[H:11])[H:8],"InChI=1S/C5H4N2/c1-2-5-3-6-7-4-5/h1,3-4H,(H,6,7)","InChI=1S/C5H4N2/c1-3-5(4-2)7-6/h1-2,5-6H/b7-6+",151.0977,79.39945,
13959,[C:1](#[C:2][c:3]1[c:4]([H:9])[n:5]([H:10])[n:6][c:7]1[H:11])[H:8],[C:1](#[C:2][C@:3]1(/[C:4](=[N:5]/[H:10])[H:9])[N:6]=[C:7]1[H:11])[H:8],"InChI=1S/C5H4N2/c1-2-5-3-6-7-4-5/h1,3-4H,(H,6,7)","InChI=1S/C5H4N2/c1-2-5(3-6)4-7-5/h1,3-4,6H/b6-3+/t5-/m1/s1",70.30906,46.73352,
13960,[C:1](#[C:2][c:3]1[c:4]([H:9])[n:5]([H:10])[n:6][c:7]1[H:11])[H:8],[C:1](=[C:2]=[C:3]1[C:4]([H:9])=[N:5][N:6]=[C:7]1[H:11])([H:8])[H:10],"InChI=1S/C5H4N2/c1-2-5-3-6-7-4-5/h1,3-4H,(H,6,7)","InChI=1S/C5H4N2/c1-2-5-3-6-7-4-5/h3-4H,1H2",106.06215,15.001610000000001,
13961,[C:1](#[C:2][c:3]1[c:4]([H:9])[n:5]([H:10])[n:6][c:7]1[H:11])[H:8],[C:1](#[C:2]/[C:3](=[C:4](/[N:5]([N+:6]#[C-:7])[H:10])[H:9])[H:11])[H:8],"InChI=1S/C5H4N2/c1-2-5-3-6-7-4-5/h1,3-4H,(H,6,7)","InChI=1S/C5H4N2/c1-3-4-5-7-6-2/h1,4-5,7H/b5-4+",86.00386,59.252419999999994,
13962,[C:1](#[C:2][c:3]1[c:4]([H:9])[n:5]([H:10])[n:6][c:7]1[H:11])[H:8],[C:1](=[C:2]=[C:3]=[C:4]([N:5]([N+:6]#[C-:7])[H:10])[H:9])([H:8])[H:11],"InChI=1S/C5H4N2/c1-2-5-3-6-7-4-5/h1,3-4H,(H,6,7)","InChI=1S/C5H4N2/c1-3-4-5-7-6-2/h5,7H,1H2",80.8481,62.1833,
13963,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C:4]#[C:5][C:6](=[O:7])[H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])=[C:4]=[C:5]=[C:6]([O:7][H:11])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-6(2)4-3-5-7/h5-6H,1-2H3","InChI=1S/C6H8O/c1-6(2)4-3-5-7/h5,7H,1-2H3",51.42559,2.36131,
13964,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C:4]#[C:5][C:6](=[O:7])[H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])=[C:4]=[C:5]=[C:6]=[O:7])([H:8])([H:9])[H:10].[H:11][H:15],"InChI=1S/C6H8O/c1-6(2)4-3-5-7/h5-6H,1-2H3",InChI=1S/C6H6O.H2/c1-6(2)4-3-5-7;/h1-2H3;1H,48.65578,18.72479,
13965,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C:4]#[C:5][C:6](=[O:7])[H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C:4](=[C:5]=[C:6]=[O:7])[H:15])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-6(2)4-3-5-7/h5-6H,1-2H3","InChI=1S/C6H8O/c1-6(2)4-3-5-7/h4,6H,1-2H3",70.5001,-7.20145,
13966,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C:4]#[C:5][C:6](=[O:7])[H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([O:7][C:6](=[C:5]=[C:4]=[C:2]([C:3]([H:12])([H:13])[H:14])[H:11])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-6(2)4-3-5-7/h5-6H,1-2H3","InChI=1S/C6H8O/c1-3-4-5-6-7-2/h3,6H,1-2H3",80.69632,15.65046,
13967,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C:4]#[C:5][C:6](=[O:7])[H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C@:6]1([H:15])[C:5](=[C:4])[O:7]1)[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-6(2)4-3-5-7/h5-6H,1-2H3","InChI=1S/C6H8O/c1-4(2)6-5(3)7-6/h4,6H,1-2H3/t6-/m1/s1",135.86404,83.96133,
13968,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C:4]#[C:5][C:6](=[O:7])[H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([C+:2]([C:3]([H:12])([H:13])[H:14])[C:4](=[C:5]=[C:6]([O-:7])[H:15])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-6(2)4-3-5-7/h5-6H,1-2H3","InChI=1S/C6H8O/c1-6(2)4-3-5-7/h4-5H,1-2H3",54.00645,33.53102,
13969,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C:4]#[C:5][C:6](=[O:7])[H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:14])[C@:4]1([C+:5]=[C:6]([O-:7])[H:15])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-6(2)4-3-5-7/h5-6H,1-2H3","InChI=1S/C6H8O/c1-5-4-6(5)2-3-7/h3,5-6H,4H2,1H3/t5-,6+/m0/s1",77.37231,49.34845,
13970,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C:4]#[C:5][C:6](=[O:7])[H:15])[H:11])([H:8])([H:9])[H:10],[C:1]1([H:8])([H:10])[C@:2]([C:3]([H:12])([H:13])[H:14])([H:11])[C:4]1=[C:5]=[C:6]([O:7][H:9])[H:15],"InChI=1S/C6H8O/c1-6(2)4-3-5-7/h5-6H,1-2H3","InChI=1S/C6H8O/c1-5-4-6(5)2-3-7/h3,5,7H,4H2,1H3/t2?,5-/m1/s1",66.02614,18.29052,
13971,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C:4]#[C:5][C:6](=[O:7])[H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])=[C:4]=[C:5]([C:6](=[O:7])[H:15])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-6(2)4-3-5-7/h5-6H,1-2H3","InChI=1S/C6H8O/c1-6(2)4-3-5-7/h3,5H,1-2H3",53.91348000000001,-8.66742,
13972,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C:4]#[C:5][C:6](=[O:7])[H:15])[H:11])([H:8])([H:9])[H:10],[C:1](/[C:4](=[C:2](/[C:3]([H:12])([H:13])[H:14])[H:11])[C+:5]=[C:6]([O-:7])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-6(2)4-3-5-7/h5-6H,1-2H3","InChI=1S/C6H8O/c1-3-6(2)4-5-7/h3,5H,1-2H3/b6-3-",65.75434,36.60709,
13973,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C:4]#[C:5][C:6](=[O:7])[H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C:4](=[C:5])[C:6](=[O:7])[H:15])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-6(2)4-3-5-7/h5-6H,1-2H3","InChI=1S/C6H8O/c1-5(2)6(3)4-7/h4-5H,1-2H3",51.028459999999995,49.56975,
13974,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C:4]#[C:5][C:6](=[O:7])[H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:14])[C@:5]([C:6](=[O:7])[H:15])([H:13])[C:4]1)([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-6(2)4-3-5-7/h5-6H,1-2H3","InChI=1S/C6H8O/c1-5-2-6(3-5)4-7/h4-6H,2H2,1H3/t5-,6+/m0/s1",88.14795,68.73914,
13975,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C:4]#[C:5][C:6](=[O:7])[H:15])[H:11])([H:8])([H:9])[H:10],[C+:2]([C:3]([H:12])([H:13])[H:14])([C:4]#[C-:5])[H:11].[C:1]([C:6](=[O:7])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-6(2)4-3-5-7/h5-6H,1-2H3","InChI=1S/C4H4.C2H4O/c1-3-4-2;1-2-3/h3H,1H3;2H,1H3",112.93741000000001,74.44758,
13976,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C:4]#[C:5][C:6](=[O:7])[H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:4]=[C:5]([C:3]([H:12])([H:13])[H:14])[C:6](=[O:7])[H:15])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-6(2)4-3-5-7/h5-6H,1-2H3","InChI=1S/C6H8O/c1-3-4-6(2)5-7/h3,5H,1-2H3",71.50587,-7.7916300000000005,
13977,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C:4]#[C:5][C:6](=[O:7])[H:15])[H:11])([H:8])([H:9])[H:10],[C:1]1([H:8])([H:9])[C@:2]([C:3]([H:12])([H:13])[H:14])([H:11])[C:4]/[C:5]1=[C:6](/[O:7][H:10])[H:15],"InChI=1S/C6H8O/c1-6(2)4-3-5-7/h5-6H,1-2H3","InChI=1S/C6H8O/c1-5-2-6(3-5)4-7/h4-5,7H,2H2,1H3/b6-4+/t5-/m1/s1",91.5015,60.5148,
13978,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C:4]#[C:5][C:6](=[O:7])[H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([O+:7]=[C:6]([C:5]#[C-:4])[H:15])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-6(2)4-3-5-7/h5-6H,1-2H3","InChI=1S/C6H8O/c1-4-5-7-6(2)3/h5-6H,2-3H3",81.16821999999999,51.03808,
13979,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C:4]#[C:5][C:6](=[O:7])[H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C:4]([C:5]#[C:6][H:15])=[O:7])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-6(2)4-3-5-7/h5-6H,1-2H3","InChI=1S/C6H8O/c1-4-6(7)5(2)3/h1,5H,2-3H3",69.76198000000001,-0.32029,
13980,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C:4]#[C:5][C:6](=[O:7])[H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([C@:2]1([H:11])[C:4]/[C:5]1=[C:6](/[O:7][C:3]([H:12])([H:13])[H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-6(2)4-3-5-7/h5-6H,1-2H3","InChI=1S/C6H8O/c1-5-3-6(5)4-7-2/h4-5H,1-2H3/b6-4-/t5-/m1/s1",106.10305,77.62912,
13981,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C:4]#[C:5][C:6](=[O:7])[H:15])[H:11])([H:8])([H:9])[H:10],[C:1]1([H:8])([H:10])[C@:2]([C:3]([H:12])([H:13])[H:14])([H:11])/[C:4]1=[C:5](\[C:6](=[O:7])[H:15])[H:9],"InChI=1S/C6H8O/c1-6(2)4-3-5-7/h5-6H,1-2H3","InChI=1S/C6H8O/c1-5-4-6(5)2-3-7/h2-3,5H,4H2,1H3/b6-2-/t5-/m1/s1",79.58219,-2.70261,
13982,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C:4]#[C:5][C:6](=[O:7])[H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:4]=[C:5]=[C:6]=[O:7])[H:11])([H:8])([H:9])[H:10].[C:3]([H:12])([H:13])([H:14])[H:15],"InChI=1S/C6H8O/c1-6(2)4-3-5-7/h5-6H,1-2H3","InChI=1S/C5H4O.CH4/c1-2-3-4-5-6;/h2H,1H3;1H4",70.90817,7.98154,
13983,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C:4]#[C:5][C:6](=[O:7])[H:15])[H:11])([H:8])([H:9])[H:10],[C:1]1([H:8])([H:10])[C@:2]([C:3]([H:12])([H:13])[H:14])([H:11])[C:4]1=[C:5].[C:6](=[O:7])([H:9])[H:15],"InChI=1S/C6H8O/c1-6(2)4-3-5-7/h5-6H,1-2H3","InChI=1S/C5H6.CH2O/c1-4-3-5(4)2;1-2/h4H,3H2,1H3;1H2/t4-;/m1./s1",114.86233,87.33099,
13984,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C:4]#[C:5][C:6](=[O:7])[H:15])[H:11])([H:8])([H:9])[H:10],[C:1]1([H:8])([H:10])[C@:2]([C:3]([H:12])([H:13])[H:14])([H:11])[C:4]1=[C:5]=[C:6]=[O:7].[H:9][H:15],"InChI=1S/C6H8O/c1-6(2)4-3-5-7/h5-6H,1-2H3","InChI=1S/C6H6O.H2/c1-5-4-6(5)2-3-7;/h5H,4H2,1H3;1H/t5-;/m1./s1",70.39144,35.72503,
14030,[C:1]([N:2]1[C@:3]2([H:11])[C:4]([H:12])([H:13])[C@@:5]1([H:14])[C:6]([H:15])=[C:7]2[H:16])([H:8])([H:9])[H:10],[C:1]([N:2]1[C@@:3]2([H:11])[C:4]([H:12])([H:13])[C@:5]1([H:14])[C:6]([H:15])([H:16])[C:7]2)([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-7-5-2-3-6(7)4-5/h2-3,5-6H,4H2,1H3/t5-,6+","InChI=1S/C6H9N/c1-7-5-2-3-6(7)4-5/h5-6H,2,4H2,1H3/t5-,6+/m0/s1",66.376,60.29815,Singlet_Carbene_Intra_Disproportionation
14031,[C:1]([N:2]1[C@:3]2([H:11])[C:4]([H:12])([H:13])[C@@:5]1([H:14])[C:6]([H:15])=[C:7]2[H:16])([H:8])([H:9])[H:10],[C:1]([N:2]([C@:5]1([H:14])[C:4]([H:12])([H:13])[C-:3]=[C:7]([H:16])[C+:6]1[H:15])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-7-5-2-3-6(7)4-5/h2-3,5-6H,4H2,1H3/t5-,6+","InChI=1S/C6H9N/c1-7-6-4-2-3-5-6/h2,4,6-7H,5H2,1H3/t6-/m0/s1",57.66859,30.940959999999997,
14032,[C:1]([N:2]1[C@:3]2([H:11])[C:4]([H:12])([H:13])[C@@:5]1([H:14])[C:6]([H:15])=[C:7]2[H:16])([H:8])([H:9])[H:10],[C-:1]([N+:2]1=[C:3]([H:11])[C:4]([H:12])([H:13])[C@@:5]1([C:6](=[C:7]([H:8])[H:16])[H:15])[H:14])([H:9])[H:10],"InChI=1S/C6H9N/c1-7-5-2-3-6(7)4-5/h2-3,5-6H,4H2,1H3/t5-,6+","InChI=1S/C6H9N/c1-3-6-4-5-7(6)2/h3,5-6H,1-2,4H2/t6-/m0/s1",44.62877,12.022210000000001,
14033,[C:1]([N:2]1[C@:3]2([H:11])[C:4]([H:12])([H:13])[C@@:5]1([H:14])[C:6]([H:15])=[C:7]2[H:16])([H:8])([H:9])[H:10],[C:1]([N:2]1[C@@:3]2([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])=[C:6]([H:15])[C@@:7]12[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-7-5-2-3-6(7)4-5/h2-3,5-6H,4H2,1H3/t5-,6+","InChI=1S/C6H9N/c1-7-5-3-2-4-6(5)7/h2-3,5-6H,4H2,1H3/t5-,6+,7?/m1/s1",24.90784,-19.94559,
14034,[C:1]([N:2]1[C@:3]2([H:11])[C:4]([H:12])([H:13])[C@@:5]1([H:14])[C:6]([H:15])=[C:7]2[H:16])([H:8])([H:9])[H:10],[C:1]([N:2]1[C:3]([H:11])=[C:7]([H:16])[C@@:6]2([H:15])[C:4]([H:12])([H:13])[C@@:5]12[H:14])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-7-5-2-3-6(7)4-5/h2-3,5-6H,4H2,1H3/t5-,6+","InChI=1S/C6H9N/c1-7-3-2-5-4-6(5)7/h2-3,5-6H,4H2,1H3/t5-,6+/m0/s1",32.03022,-24.35558,
14035,[C:1]([N:2]1[C@:3]2([H:11])[C:4]([H:12])([H:13])[C@@:5]1([H:14])[C:6]([H:15])=[C:7]2[H:16])([H:8])([H:9])[H:10],[C:1]([N:2]1[C@:3]([C:4]([H:12])([H:13])[H:15])([H:11])[C:7]([H:16])=[C:6]=[C:5]1[H:14])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-7-5-2-3-6(7)4-5/h2-3,5-6H,4H2,1H3/t5-,6+","InChI=1S/C6H9N/c1-6-4-3-5-7(6)2/h4-6H,1-2H3/t6-/m0/s1",84.38077,8.39926,
14036,[C:1]([N:2]1[C@:3]2([H:11])[C:4]([H:12])([H:13])[C@@:5]1([H:14])[C:6]([H:15])=[C:7]2[H:16])([H:8])([H:9])[H:10],[C:1](/[C:7](=[C:6](\[C@:5]1([H:14])[N:2]=[C:3]([H:11])[C:4]1([H:12])[H:13])[H:15])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-7-5-2-3-6(7)4-5/h2-3,5-6H,4H2,1H3/t5-,6+","InChI=1S/C6H9N/c1-2-3-6-4-5-7-6/h2-3,5-6H,4H2,1H3/b3-2-/t6-/m0/s1",80.29445,-19.06183,
14037,[C:1]([N:2]1[C@:3]2([H:11])[C:4]([H:12])([H:13])[C@@:5]1([H:14])[C:6]([H:15])=[C:7]2[H:16])([H:8])([H:9])[H:10],[C:1]([N+:2]1([H:12])[C@:3]2([H:11])[C-:4]([H:13])[C@@:5]1([H:14])[C:6]([H:15])=[C:7]2[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-7-5-2-3-6(7)4-5/h2-3,5-6H,4H2,1H3/t5-,6+","InChI=1S/C6H8N/c1-7-5-2-3-6(7)4-5/h2-6H,1H3/q-1/p+1/t5-,6+",63.4623,62.68294,
14038,[C:1]([N:2]1[C@:3]2([H:11])[C:4]([H:12])([H:13])[C@@:5]1([H:14])[C:6]([H:15])=[C:7]2[H:16])([H:8])([H:9])[H:10],[C:1](=[N+:2]1[C@:3]2([H:11])[C-:4]([H:13])[C@@:5]1([H:14])[C:6]([H:15])=[C:7]2[H:16])([H:8])[H:9].[H:10][H:12],"InChI=1S/C6H9N/c1-7-5-2-3-6(7)4-5/h2-3,5-6H,4H2,1H3/t5-,6+","InChI=1S/C6H7N.H2/c1-7-5-2-3-6(7)4-5;/h2-6H,1H2;1H/t5-,6+;",80.20805,86.72784,
14039,[C:1]([N:2]1[C@:3]2([H:11])[C:4]([H:12])([H:13])[C@@:5]1([H:14])[C:6]([H:15])=[C:7]2[H:16])([H:8])([H:9])[H:10],[C:1]([N:2]1[C+:3]2[C:4]([H:12])([H:13])[C@:5]1([H:14])[C-:6]([H:15])[C:7]2([H:11])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-7-5-2-3-6(7)4-5/h2-3,5-6H,4H2,1H3/t5-,6+","InChI=1S/C6H9N/c1-7-5-2-3-6(7)4-5/h2,5H,3-4H2,1H3/t5-/m0/s1",98.93565,75.04219,
14040,[C:1]([N:2]1[C@:3]2([H:11])[C:4]([H:12])([H:13])[C@@:5]1([H:14])[C:6]([H:15])=[C:7]2[H:16])([H:8])([H:9])[H:10],[C:1]([N+:2]1=[C:5]([H:14])[C:4]([H:12])([H:13])[C-:3]1[H:11])([H:8])([H:9])[H:10].[C:6](#[C:7][H:16])[H:15],"InChI=1S/C6H9N/c1-7-5-2-3-6(7)4-5/h2-3,5-6H,4H2,1H3/t5-,6+","InChI=1S/C4H7N.C2H2/c1-5-3-2-4-5;1-2/h3-4H,2H2,1H3;1-2H",59.42963,63.55718,
14041,[C:1]([N:2]1[C@:3]2([H:11])[C:4]([H:12])([H:13])[C@@:5]1([H:14])[C:6]([H:15])=[C:7]2[H:16])([H:8])([H:9])[H:10],[C:1](=[N+:2]1[C@@:3]2([H:11])[C:4]([H:12])([H:13])[C@:5]1([H:14])[C-:6]=[C:7]2[H:16])([H:8])[H:9].[H:10][H:15],"InChI=1S/C6H9N/c1-7-5-2-3-6(7)4-5/h2-3,5-6H,4H2,1H3/t5-,6+","InChI=1S/C6H7N.H2/c1-7-5-2-3-6(7)4-5;/h2,5-6H,1,4H2;1H/t5-,6+;/m1./s1",90.24083,85.62331,
14042,[C:1]([C:2]([C:3]([O:4][C:5]([C:6]([C:7]([H:19])([H:20])[H:21])([H:17])[H:18])([H:15])[H:16])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([O+:4]=[C-:5][H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10].[C:6]([C:7]([H:19])([H:20])[H:21])([H:16])([H:17])[H:18],"InChI=1S/C6H14O/c1-3-5-7-6-4-2/h3-6H2,1-2H3","InChI=1S/C4H8O.C2H6/c1-3-4-5-2;1-2/h2H,3-4H2,1H3;1-2H3",71.00537,66.16885,
14043,[C:1]([C:2]([C:3]([O:4][C:5]([C:6]([C:7]([H:19])([H:20])[H:21])([H:17])[H:18])([H:15])[H:16])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3](=[O+:4][C-:5]([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10].[C:6]([C:7]([H:19])([H:20])[H:21])([H:14])([H:17])[H:18],"InChI=1S/C6H14O/c1-3-5-7-6-4-2/h3-6H2,1-2H3","InChI=1S/C4H8O.C2H6/c1-3-4-5-2;1-2/h4H,2-3H2,1H3;1-2H3",78.21936,63.32512,
14044,[C:1]([C:2]([C:3]([O:4][C:5]([C:6]([C:7]([H:19])([H:20])[H:21])([H:17])[H:18])([H:15])[H:16])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:13])([H:14])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10].[O:4]=[C:5]([C:6]([C:7]([H:19])([H:20])[H:21])([H:17])[H:18])[H:15],"InChI=1S/C6H14O/c1-3-5-7-6-4-2/h3-6H2,1-2H3","InChI=1S/C3H6O.C3H8/c1-2-3-4;1-3-2/h3H,2H2,1H3;3H2,1-2H3",75.19896999999999,-0.77278,
14045,[C:1]([C:2]([C:3]([O:4][C:5]([C:6]([C:7]([H:19])([H:20])[H:21])([H:17])[H:18])([H:15])[H:16])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([H:11])[H:12])([H:8])([H:9])[H:10].[C:3]([O:4][C:5]([C:6]([C:7]([H:19])([H:20])[H:21])[H:17])([H:15])[H:16])([H:13])([H:14])[H:18],"InChI=1S/C6H14O/c1-3-5-7-6-4-2/h3-6H2,1-2H3","InChI=1S/C4H9O.C2H5/c1-3-4-5-2;1-2/h3H,4H2,1-2H3;1H2,2H3",103.77898,89.25466,
14046,[C:1]([C:2]([C:3]([O:4][C:5]([C:6]([C:7]([H:19])([H:20])[H:21])([H:17])[H:18])([H:15])[H:16])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([O:4][C:3]([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10].[C:5]([C:6]([C:7]([H:19])([H:20])[H:21])([H:17])[H:18])([H:15])[H:16],"InChI=1S/C6H14O/c1-3-5-7-6-4-2/h3-6H2,1-2H3","InChI=1S/C3H7O.C3H7/c1-3-4-2;1-3-2/h2-3H2,1H3;1,3H2,2H3",109.71779,87.45336999999999,
14047,[C:1]([C:2]([C:3]([O:4][C:5]([C:6]([C:7]([H:19])([H:20])[H:21])([H:17])[H:18])([H:15])[H:16])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3](=[O:4])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10].[C:5](=[C:6]([C:7]([H:19])([H:20])[H:21])[H:17])([H:15])[H:16].[H:14][H:18],"InChI=1S/C6H14O/c1-3-5-7-6-4-2/h3-6H2,1-2H3","InChI=1S/C3H6O.C3H6.H2/c1-2-3-4;1-3-2;/h3H,2H2,1H3;3H,1H2,2H3;1H",57.31313000000001,29.75508,
14048,[C:1]([C:2]([C:3]([O:4][C:5]([C:6]([C:7]([H:19])([H:20])[H:21])([H:17])[H:18])([H:15])[H:16])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:3](/[O:4][C:5]([C:6]([C:7]([H:19])([H:20])[H:21])([H:17])[H:18])([H:15])[H:16])[H:13])[H:11])([H:8])([H:9])[H:10].[H:12][H:14],"InChI=1S/C6H14O/c1-3-5-7-6-4-2/h3-6H2,1-2H3","InChI=1S/C6H12O.H2/c1-3-5-7-6-4-2;/h3,5H,4,6H2,1-2H3;1H/b5-3+;",101.04259,25.47053,
14049,[C:1]([C@@:2]1([H:11])[C@:3]([O:4][H:13])([H:12])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C@:3]([O:4][H:13])([H:12])[C:5]([H:14])=[C:6]1[H:16])([H:8])([H:9])[H:10].[O:7]([H:15])[H:17],"InChI=1S/C5H10O2/c1-3-4(6)2-5(3)7/h3-7H,2H2,1H3/t3-,4-,5+","InChI=1S/C5H8O.H2O/c1-4-2-3-5(4)6;/h2-6H,1H3;1H2/t4-,5+;/m1./s1",58.66145,18.32131,"1,3_Insertion_ROR"
14050,[C:1]([C@@:2]1([H:11])[C@:3]([O:4][H:13])([H:12])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]([C:3](=[O:4])[H:12])([C@@:6]([C:5]([H:13])([H:14])[H:15])([O:7][H:17])[H:16])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-3-4(6)2-5(3)7/h3-7H,2H2,1H3/t3-,4-,5+","InChI=1S/C5H10O2/c1-4(3-6)5(2)7/h3-5,7H,1-2H3/t4-,5+/m0/s1",64.5112,-14.432479999999998,
14051,[C:1]([C@@:2]1([H:11])[C@:3]([O:4][H:13])([H:12])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]([C@@:6]1([H:16])[C@:3]([O:4][H:13])([H:12])[C:5]1([H:14])[H:15])([O:7][H:17])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-3-4(6)2-5(3)7/h3-7H,2H2,1H3/t3-,4-,5+","InChI=1S/C5H10O2/c1-3(6)4-2-5(4)7/h3-7H,2H2,1H3/t3-,4-,5-/m0/s1",73.71103000000001,6.37825,
14052,[C:1]([C@@:2]1([H:11])[C@:3]([O:4][H:13])([H:12])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:3](/[O:4][H:13])[H:12])[H:11])([H:8])([H:9])[H:10].[C:5](=[C:6]([O:7][H:17])[H:16])([H:14])[H:15],"InChI=1S/C5H10O2/c1-3-4(6)2-5(3)7/h3-7H,2H2,1H3/t3-,4-,5+","InChI=1S/C3H6O.C2H4O/c1-2-3-4;1-2-3/h2-4H,1H3;2-3H,1H2/b3-2+;",62.741859999999996,12.44842,
14053,[C:1]([C@@:2]1([H:11])[C@:3]([O:4][H:13])([H:12])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1](=[C:2]([C@@:3]([O:4][H:13])([C:5]([C:6](=[O:7])[H:16])([H:14])[H:15])[H:12])[H:11])([H:9])[H:10].[H:8][H:17],"InChI=1S/C5H10O2/c1-3-4(6)2-5(3)7/h3-7H,2H2,1H3/t3-,4-,5+","InChI=1S/C5H8O2.H2/c1-2-5(7)3-4-6;/h2,4-5,7H,1,3H2;1H/t5-;/m1./s1",48.04015,20.00667,
14054,[C:1]([C@@:2]1([H:11])[C@:3]([O:4][H:13])([H:12])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:6](\[C:5]([C:3](=[O:4])[H:12])([H:14])[H:15])[H:16])[H:11])([H:8])([H:9])[H:10].[O:7]([H:13])[H:17],"InChI=1S/C5H10O2/c1-3-4(6)2-5(3)7/h3-7H,2H2,1H3/t3-,4-,5+","InChI=1S/C5H8O.H2O/c1-2-3-4-5-6;/h2-3,5H,4H2,1H3;1H2/b3-2-;",55.793969999999995,-1.8395,
14055,[C:1]([C@@:2]1([H:11])[C@:3]([O:4][H:13])([H:12])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3](=[O:4])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10].[H:12][H:13],"InChI=1S/C5H10O2/c1-3-4(6)2-5(3)7/h3-7H,2H2,1H3/t3-,4-,5+","InChI=1S/C5H8O2.H2/c1-3-4(6)2-5(3)7;/h3-4,6H,2H2,1H3;1H/t3-,4-;/m1./s1",75.68179,12.752310000000001,
14056,[C:1]([C@@:2]1([H:11])[C@:3]([O:4][H:13])([H:12])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]([C@@:3]([O:4][H:13])([C:5]([H:14])([H:15])[H:16])[H:12])([C:6][O:7][H:17])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-3-4(6)2-5(3)7/h3-7H,2H2,1H3/t3-,4-,5+","InChI=1S/C5H10O2/c1-4(3-6)5(2)7/h4-7H,1-2H3/t4-,5+/m1/s1",55.61634,41.169709999999995,
14057,[C:1]([C@@:2]1([H:11])[C@:3]([O:4][H:13])([H:12])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1](=[C:2]([C@@:6]1([H:16])[C@:3]([O:4][H:13])([H:12])[C:5]1([H:14])[H:15])[H:11])([H:9])[H:10].[O:7]([H:8])[H:17],"InChI=1S/C5H10O2/c1-3-4(6)2-5(3)7/h3-7H,2H2,1H3/t3-,4-,5+","InChI=1S/C5H8O.H2O/c1-2-4-3-5(4)6;/h2,4-6H,1,3H2;1H2/t4-,5+;/m1./s1",92.11125,17.40213,
14058,[C:1]([C@@:2]1([H:11])[C@:3]([O:4][H:13])([H:12])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:6]([C:5]([C:3][O:4][H:13])([H:14])[H:15])([O:7][H:17])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-3-4(6)2-5(3)7/h3-7H,2H2,1H3/t3-,4-,5+","InChI=1S/C5H10O2/c1-2-5(7)3-4-6/h5-7H,2-3H2,1H3/t5-/m0/s1",54.047709999999995,41.87538,
14059,[C:1]([C@@:2]1([H:11])[C@:3]([O:4][H:13])([H:12])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:17].[C@:2]1([C:6](=[O:7])[H:16])([H:11])[C@:3]([O:4][H:13])([H:12])[C:5]1([H:14])[H:15],"InChI=1S/C5H10O2/c1-3-4(6)2-5(3)7/h3-7H,2H2,1H3/t3-,4-,5+","InChI=1S/C4H6O2.CH4/c5-2-3-1-4(3)6;/h2-4,6H,1H2;1H4/t3-,4-;/m0./s1",81.39005,2.87895,
14060,[C:1]([C@@:2]1([H:11])[C@:3]([O:4][H:13])([H:12])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1]([O:7][H:17])([H:8])([H:9])[H:10].[C:2]1([H:11])=[C:6]([H:16])[C:5]([H:14])([H:15])[C@@:3]1([O:4][H:13])[H:12],"InChI=1S/C5H10O2/c1-3-4(6)2-5(3)7/h3-7H,2H2,1H3/t3-,4-,5+","InChI=1S/C4H6O.CH4O/c5-4-2-1-3-4;1-2/h1-2,4-5H,3H2;2H,1H3/t4-;/m1./s1",92.60631,32.81165,"1,3_Insertion_ROR"
14061,[C:1]([C@@:2]1([H:11])[C@:3]([O:4][H:13])([H:12])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:3]([H:12])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10].[O:4]([H:11])[H:13],"InChI=1S/C5H10O2/c1-3-4(6)2-5(3)7/h3-7H,2H2,1H3/t3-,4-,5+","InChI=1S/C5H8O.H2O/c1-4-2-3-5(4)6;/h2,5-6H,3H2,1H3;1H2/t5-;/m1./s1",94.12545,14.477360000000001,"1,3_Insertion_ROR"
14062,[C:1]([C@@:2]1([H:11])[C@:3]([O:4][H:13])([H:12])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1]([H:9])[H:10].[C:2]1([H:8])([H:11])[C@@:3]([O:4][H:13])([H:12])[C:5]([H:14])([H:15])[C@@:6]1([O:7][H:17])[H:16],"InChI=1S/C5H10O2/c1-3-4(6)2-5(3)7/h3-7H,2H2,1H3/t3-,4-,5+","InChI=1S/C4H8O2.CH2/c5-3-1-4(6)2-3;/h3-6H,1-2H2;1H2/t3-,4+;",103.05230999999999,119.12947,"1,2_Insertion_carbene"
14063,[C:1]([C@@:2]1([H:11])[C@:3]([O:4][H:13])([H:12])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C@@:5]([C:3](=[O:4])[H:12])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10].[H:13][H:14],"InChI=1S/C5H10O2/c1-3-4(6)2-5(3)7/h3-7H,2H2,1H3/t3-,4-,5+","InChI=1S/C5H8O2.H2/c1-3-4(2-6)5(3)7;/h2-5,7H,1H3;1H/t3-,4-,5-;/m0./s1",83.85036,19.57826,
14064,[C:1]([C@@:2]1([H:11])[C@:3]([O:4][H:13])([H:12])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C@:3]([C:5]([O:4][H:13])([H:14])[H:15])([H:12])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-3-4(6)2-5(3)7/h3-7H,2H2,1H3/t3-,4-,5+","InChI=1S/C5H10O2/c1-3-4(2-6)5(3)7/h3-7H,2H2,1H3/t3-,4+,5-/m0/s1",76.06728000000001,6.22789,
14065,[C:1]([C@@:2]1([H:11])[C@:3]([O:4][H:13])([H:12])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:8])([H:9])[H:10].[C:3]([O:4][H:13])[H:12],"InChI=1S/C5H10O2/c1-3-4(6)2-5(3)7/h3-7H,2H2,1H3/t3-,4-,5+","InChI=1S/C4H8O.CH2O/c1-3-2-4(3)5;1-2/h3-5H,2H2,1H3;1-2H/t3-,4+;/m0./s1",94.53493,81.33058,
14066,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C:4]([C@@:5]([C:6]([H:18])([H:19])[H:20])([O:7][H:21])[H:17])([H:15])[H:16])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C:4]([C:5]([C:6]([H:18])([H:19])[H:20])=[O:7])([H:15])[H:16])[H:11])([H:8])([H:9])[H:10].[H:17][H:21],"InChI=1S/C6H14O/c1-5(2)4-6(3)7/h5-7H,4H2,1-3H3/t6-/m1/s1","InChI=1S/C6H12O.H2/c1-5(2)4-6(3)7;/h5H,4H2,1-3H3;1H",76.06021,12.54903,
14067,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C:4]([C@@:5]([C:6]([H:18])([H:19])[H:20])([O:7][H:21])[H:17])([H:15])[H:16])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C:4]([C:5](=[C:6]([H:18])[H:19])[O:7][H:21])([H:15])[H:16])[H:11])([H:8])([H:9])[H:10].[H:17][H:20],"InChI=1S/C6H14O/c1-5(2)4-6(3)7/h5-7H,4H2,1-3H3/t6-/m1/s1","InChI=1S/C6H12O.H2/c1-5(2)4-6(3)7;/h5,7H,3-4H2,1-2H3;1H",97.29859,21.62565,
14068,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C:4]([C@@:5]([C:6]([H:18])([H:19])[H:20])([O:7][H:21])[H:17])([H:15])[H:16])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]1([C:3]([H:12])([H:13])[H:14])[C:4]([H:15])([H:16])[C@:5]1([O:7][H:21])[H:17])([H:8])([H:9])[H:10].[C:6]([H:11])([H:18])([H:19])[H:20],"InChI=1S/C6H14O/c1-5(2)4-6(3)7/h5-7H,4H2,1-3H3/t6-/m1/s1","InChI=1S/C5H10O.CH4/c1-5(2)3-4(5)6;/h4,6H,3H2,1-2H3;1H4/t4-;/m1./s1",88.45034,22.25009,
14069,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C:4]([C@@:5]([C:6]([H:18])([H:19])[H:20])([O:7][H:21])[H:17])([H:15])[H:16])[H:11])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:11].[C:2]([C:3]([H:12])([H:13])[H:14])[C:4]([C@@:5]([C:6]([H:18])([H:19])[H:20])([O:7][H:21])[H:17])([H:15])[H:16],"InChI=1S/C6H14O/c1-5(2)4-6(3)7/h5-7H,4H2,1-3H3/t6-/m1/s1","InChI=1S/C5H10O.CH4/c1-3-4-5(2)6;/h5-6H,4H2,1-2H3;1H4/t5-;/m1./s1",85.55226,90.17792,
14070,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C:4]([C@@:5]([C:6]([H:18])([H:19])[H:20])([O:7][H:21])[H:17])([H:15])[H:16])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C:4]([H:15])([H:16])[H:17])[H:11])([H:8])([H:9])[H:10].[C:5]([C:6]([H:18])([H:19])[H:20])[O:7][H:21],"InChI=1S/C6H14O/c1-5(2)4-6(3)7/h5-7H,4H2,1-3H3/t6-/m1/s1","InChI=1S/C4H10.C2H4O/c1-4(2)3;1-2-3/h4H,1-3H3;3H,1H3",69.49479000000001,64.31515999999999,
14071,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C:4]([C@@:5]([C:6]([H:18])([H:19])[H:20])([O:7][H:21])[H:17])([H:15])[H:16])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])(/[C:4](=[C:5](/[C:6]([H:18])([H:19])[H:20])[O:7][H:21])[H:15])[H:11])([H:8])([H:9])[H:10].[H:16][H:17],"InChI=1S/C6H14O/c1-5(2)4-6(3)7/h5-7H,4H2,1-3H3/t6-/m1/s1","InChI=1S/C6H12O.H2/c1-5(2)4-6(3)7;/h4-5,7H,1-3H3;1H/b6-4-;",97.74801,22.122510000000002,
14072,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C:4]([C@@:5]([C:6]([H:18])([H:19])[H:20])([O:7][H:21])[H:17])([H:15])[H:16])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2][C:3]([H:12])([H:13])[H:14])([H:8])([H:9])[H:10].[C:4]([C:5]([C:6]([H:18])([H:19])[H:20])([O:7][H:21])[H:17])([H:11])([H:15])[H:16],"InChI=1S/C6H14O/c1-5(2)4-6(3)7/h5-7H,4H2,1-3H3/t6-/m1/s1","InChI=1S/C3H8O.C3H6/c1-3(2)4;1-3-2/h3-4H,1-2H3;1-2H3",84.54113000000001,92.86123,
14073,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C:4]([C@@:5]([C:6]([H:18])([H:19])[H:20])([O:7][H:21])[H:17])([H:15])[H:16])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([H:8])[H:11])([H:9])([H:10])[H:17].[C:4](=[C:5]([C:6]([H:18])([H:19])[H:20])[O:7][H:21])([H:15])[H:16],"InChI=1S/C6H14O/c1-5(2)4-6(3)7/h5-7H,4H2,1-3H3/t6-/m1/s1","InChI=1S/C3H6O.C3H8/c1-3(2)4;1-3-2/h4H,1H2,2H3;3H2,1-2H3",104.34461,13.80379,
14074,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C:4]([C@@:5]([C:6]([H:18])([H:19])[H:20])([O:7][H:21])[H:17])([H:15])[H:16])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])=[C:4]([H:15])[H:16])([H:8])([H:9])[H:10].[C:5]([C:6]([H:18])([H:19])[H:20])(=[O:7])[H:17].[H:11][H:21],"InChI=1S/C6H14O/c1-5(2)4-6(3)7/h5-7H,4H2,1-3H3/t6-/m1/s1","InChI=1S/C4H8.C2H4O.H2/c1-4(2)3;1-2-3;/h1H2,2-3H3;2H,1H3;1H",59.918530000000004,36.8149,
14075,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C:4]([C@@:5]([C:6]([H:18])([H:19])[H:20])([O:7][H:21])[H:17])([H:15])[H:16])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]([H:12])[H:14])[H:11])([H:8])([H:9])[H:10].[C:4](=[C:5]([C:6]([H:18])([H:19])[H:20])[O:7][H:21])([H:15])[H:16].[H:13][H:17],"InChI=1S/C6H14O/c1-5(2)4-6(3)7/h5-7H,4H2,1-3H3/t6-/m1/s1","InChI=1S/C3H6O.C3H6.H2/c1-3(2)4;1-3-2;/h4H,1H2,2H3;3H,1H2,2H3;1H",75.23597,44.30907,
14076,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C:4]([C@@:5]([C:6]([H:18])([H:19])[H:20])([O:7][H:21])[H:17])([H:15])[H:16])[H:11])([H:8])([H:9])[H:10],[C:1]1([H:8])([H:10])[C@@:2]([C:3]([H:12])([H:13])[H:14])([H:11])[C:4]([H:15])([H:16])[C@:5]1([C:6]([H:18])([H:19])[H:20])[H:17].[O:7]([H:9])[H:21],"InChI=1S/C6H14O/c1-5(2)4-6(3)7/h5-7H,4H2,1-3H3/t6-/m1/s1","InChI=1S/C6H12.H2O/c1-5-3-6(2)4-5;/h5-6H,3-4H2,1-2H3;1H2/t5-,6-;",87.89731,17.43805,
14077,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C:4]([C@@:5]([C:6]([H:18])([H:19])[H:20])([O:7][H:21])[H:17])([H:15])[H:16])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C:4]([C:6]([C:5](=[O:7])[H:17])([H:18])[H:19])([H:15])[H:16])[H:11])([H:8])([H:9])[H:10].[H:20][H:21],"InChI=1S/C6H14O/c1-5(2)4-6(3)7/h5-7H,4H2,1-3H3/t6-/m1/s1","InChI=1S/C6H12O.H2/c1-6(2)4-3-5-7;/h5-6H,3-4H2,1-2H3;1H",86.59831,21.09103,
14078,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C:4]([C@@:5]([C:6]([H:18])([H:19])[H:20])([O:7][H:21])[H:17])([H:15])[H:16])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C:4]([C:5](=[C:6]([H:18])[H:19])[H:17])([H:15])[H:16])[H:11])([H:8])([H:9])[H:10].[O:7]([H:20])[H:21],"InChI=1S/C6H14O/c1-5(2)4-6(3)7/h5-7H,4H2,1-3H3/t6-/m1/s1","InChI=1S/C6H12.H2O/c1-4-5-6(2)3;/h4,6H,1,5H2,2-3H3;1H2",57.013659999999994,13.742360000000001,"1,3_Insertion_ROR"
14079,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C:4]([C@@:5]([C:6]([H:18])([H:19])[H:20])([O:7][H:21])[H:17])([H:15])[H:16])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C:4]([C:5][O:7][H:21])([H:15])[H:16])[H:11])([H:8])([H:9])[H:10].[C:6]([H:17])([H:18])([H:19])[H:20],"InChI=1S/C6H14O/c1-5(2)4-6(3)7/h5-7H,4H2,1-3H3/t6-/m1/s1","InChI=1S/C5H10O.CH4/c1-5(2)3-4-6;/h5-6H,3H2,1-2H3;1H4",71.24288,62.3914,
14080,[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C:4]([C@@:5]([C:6]([H:18])([H:19])[H:20])([O:7][H:21])[H:17])([H:15])[H:16])[H:11])([H:8])([H:9])[H:10],[C:1](=[C:2]([C:3]([H:12])([H:13])[H:14])[C:4]([C@@:5]([C:6]([H:18])([H:19])[H:20])([O:7][H:21])[H:17])([H:15])[H:16])([H:9])[H:10].[H:8][H:11],"InChI=1S/C6H14O/c1-5(2)4-6(3)7/h5-7H,4H2,1-3H3/t6-/m1/s1","InChI=1S/C6H12O.H2/c1-5(2)4-6(3)7;/h6-7H,1,4H2,2-3H3;1H/t6-;/m1./s1",104.7154,29.076190000000004,
14081,[C:1]([C@@:2]1([C:5](=[O:6])[N:7]([H:14])[H:15])[C:3]([H:11])([H:12])[N:4]1[H:13])([H:8])([H:9])[H:10],[C:1]([C:2]([N+:4](=[C:3]([H:11])[H:12])[H:13])=[C:5]([O-:6])[N:7]([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C4H8N2O/c1-4(2-6-4)3(5)7/h6H,2H2,1H3,(H2,5,7)/t4-/m0/s1","InChI=1S/C4H8N2O/c1-3(6-2)4(5)7/h7H,2,5H2,1H3",36.71287,12.62163,
14082,[C:1]([C@@:2]1([C:5](=[O:6])[N:7]([H:14])[H:15])[C:3]([H:11])([H:12])[N:4]1[H:13])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]([H:11])[H:12])[C:5](=[O+:6][N-:4][H:13])[N:7]([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C4H8N2O/c1-4(2-6-4)3(5)7/h6H,2H2,1H3,(H2,5,7)/t4-/m0/s1","InChI=1S/C4H8N2O/c1-3(2)4(5)7-6/h6H,1,5H2,2H3",101.41157,73.70853000000001,
14083,[C:1]([C@@:2]1([C:5](=[O:6])[N:7]([H:14])[H:15])[C:3]([H:11])([H:12])[N:4]1[H:13])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([C:5](=[O:6])[N:7]([H:14])[H:15])[C-:3]([H:12])[N+:4]1([H:11])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H8N2O/c1-4(2-6-4)3(5)7/h6H,2H2,1H3,(H2,5,7)/t4-/m0/s1","InChI=1S/C4H8N2O/c1-4(2-6-4)3(5)7/h2H,6H2,1H3,(H2,5,7)/t4-/m0/s1",66.35949000000001,62.53163000000001,
14084,[C:1]([C@@:2]1([C:5](=[O:6])[N:7]([H:14])[H:15])[C:3]([H:11])([H:12])[N:4]1[H:13])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:5]([N:7]([H:14])[H:15])[O:6][N:4]([H:13])[C:3]1([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H8N2O/c1-4(2-6-4)3(5)7/h6H,2H2,1H3,(H2,5,7)/t4-/m0/s1","InChI=1S/C4H8N2O/c1-3-2-6-7-4(3)5/h6H,2,5H2,1H3",60.96176,43.442209999999996,ketoenol
14085,[C:1]([C@@:2]1([C:5](=[O:6])[N:7]([H:14])[H:15])[C:3]([H:11])([H:12])[N:4]1[H:13])([H:8])([H:9])[H:10],[C:1]([O:6]/[C:5](=[C:2]1\[C:3]([H:11])([H:12])[N:4]1[H:13])[N:7]([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C4H8N2O/c1-4(2-6-4)3(5)7/h6H,2H2,1H3,(H2,5,7)/t4-/m0/s1","InChI=1S/C4H8N2O/c1-7-4(5)3-2-6-3/h6H,2,5H2,1H3/b4-3+",88.33275,51.08274,ketoenol
14086,[C:1]([C@@:2]1([C:5](=[O:6])[N:7]([H:14])[H:15])[C:3]([H:11])([H:12])[N:4]1[H:13])([H:8])([H:9])[H:10],[C:1](/[C:2]([C:3]([O+:6]=[C-:5][N:7]([H:14])[H:15])([H:11])[H:12])=[N:4]\[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H8N2O/c1-4(2-6-4)3(5)7/h6H,2H2,1H3,(H2,5,7)/t4-/m0/s1","InChI=1S/C4H8N2O/c1-4(6)2-7-3-5/h6H,2,5H2,1H3/b6-4+",71.75811999999999,39.94999,
14087,[C:1]([C@@:2]1([C:5](=[O:6])[N:7]([H:14])[H:15])[C:3]([H:11])([H:12])[N:4]1[H:13])([H:8])([H:9])[H:10],[C:1]([C:2][C:3]([N:4]([C:5](=[O:6])[N:7]([H:14])[H:15])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H8N2O/c1-4(2-6-4)3(5)7/h6H,2H2,1H3,(H2,5,7)/t4-/m0/s1","InChI=1S/C4H8N2O/c1-2-3-6-4(5)7/h3H2,1H3,(H3,5,6,7)",63.825109999999995,64.34008,
14088,[C:1]([C@@:2]1([C:5](=[O:6])[N:7]([H:14])[H:15])[C:3]([H:11])([H:12])[N:4]1[H:13])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]([H:11])[H:12])[N:4]([C:5](=[O:6])[N:7]([H:14])[H:15])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H8N2O/c1-4(2-6-4)3(5)7/h6H,2H2,1H3,(H2,5,7)/t4-/m0/s1","InChI=1S/C4H8N2O/c1-3(2)6-4(5)7/h1H2,2H3,(H3,5,6,7)",82.73995,-17.4782,
14089,[C:1]([C@@:2]1([C:5](=[O:6])[N:7]([H:14])[H:15])[C:3]([H:11])([H:12])[N:4]1[H:13])([H:8])([H:9])[H:10],[C:1]([C@@:2]1(/[C:5]([O:6][H:14])=[N:7]\[H:15])[C:3]([H:11])([H:12])[N:4]1[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H8N2O/c1-4(2-6-4)3(5)7/h6H,2H2,1H3,(H2,5,7)/t4-/m0/s1","InChI=1S/C4H8N2O/c1-4(2-6-4)3(5)7/h6H,2H2,1H3,(H2,5,7)/t4-/m0/s1",42.72423,11.63754,ketoenol
14090,[C:1]([C@@:2]1([C:5](=[O:6])[N:7]([H:14])[H:15])[C:3]([H:11])([H:12])[N:4]1[H:13])([H:8])([H:9])[H:10],[C:1](=[C:2]1[C:3]([H:11])([H:12])[N:4]1[H:13])([H:8])[H:9].[C:5]([O:6][H:10])[N:7]([H:14])[H:15],"InChI=1S/C4H8N2O/c1-4(2-6-4)3(5)7/h6H,2H2,1H3,(H2,5,7)/t4-/m0/s1","InChI=1S/C3H5N.CH3NO/c1-3-2-4-3;2-1-3/h4H,1-2H2;3H,2H2",79.97473000000001,80.77133,
14091,[C:1]([C@@:2]1([C:5](=[O:6])[N:7]([H:14])[H:15])[C:3]([H:11])([H:12])[N:4]1[H:13])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:14])[C:3]([H:11])([H:12])[N:4]1[H:13])([H:8])([H:9])[H:10].[C:5](=[O:6])=[N:7][H:15],"InChI=1S/C4H8N2O/c1-4(2-6-4)3(5)7/h6H,2H2,1H3,(H2,5,7)/t4-/m0/s1","InChI=1S/C3H7N.CHNO/c1-3-2-4-3;2-1-3/h3-4H,2H2,1H3;2H/t3-;/m0./s1",75.49595,17.76744,
14092,[C:1]([C@@:2]1([C:5](=[O:6])[N:7]([H:14])[H:15])[C:3]([H:11])([H:12])[N:4]1[H:13])([H:8])([H:9])[H:10],[C:1]([C@@:2]12[C:3]([H:11])([H:12])[N:4]1[C@:5]2([O:6][H:13])[N:7]([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C4H8N2O/c1-4(2-6-4)3(5)7/h6H,2H2,1H3,(H2,5,7)/t4-/m0/s1","InChI=1S/C4H8N2O/c1-3-2-6(3)4(3,5)7/h7H,2,5H2,1H3/t3-,4+,6?/m0/s1",60.240730000000006,41.338609999999996,
14093,[C:1]([C@@:2]1([C:5](=[O:6])[N:7]([H:14])[H:15])[C:3]([H:11])([H:12])[N:4]1[H:13])([H:8])([H:9])[H:10],[C:1](/[C:2](=[N:4]\[C:3]([H:11])([H:12])[H:13])[C:5](=[O:6])[N:7]([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C4H8N2O/c1-4(2-6-4)3(5)7/h6H,2H2,1H3,(H2,5,7)/t4-/m0/s1","InChI=1S/C4H8N2O/c1-3(6-2)4(5)7/h1-2H3,(H2,5,7)/b6-3+",61.27188,-13.341460000000001,
14094,[C:1]([C@@:2]1([C:5](=[O:6])[N:7]([H:14])[H:15])[C:3]([H:11])([H:12])[N:4]1[H:13])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:13].[C:2]1([C:5](=[O:6])[N:7]([H:14])[H:15])=[N:4][C:3]1([H:11])[H:12],"InChI=1S/C4H8N2O/c1-4(2-6-4)3(5)7/h6H,2H2,1H3,(H2,5,7)/t4-/m0/s1","InChI=1S/C3H4N2O.CH4/c4-3(6)2-1-5-2;/h1H2,(H2,4,6);1H4",84.1297,27.698629999999998,
14095,[C:1]([C@@:2]1([C:5](=[O:6])[N:7]([H:14])[H:15])[C:3]([H:11])([H:12])[N:4]1[H:13])([H:8])([H:9])[H:10],[C:1]([C@@:2]([N+:4](=[C-:3][H:11])[H:13])([C:5](=[O:6])[N:7]([H:14])[H:15])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H8N2O/c1-4(2-6-4)3(5)7/h6H,2H2,1H3,(H2,5,7)/t4-/m0/s1","InChI=1S/C4H8N2O/c1-3(6-2)4(5)7/h2-3,6H,1H3,(H2,5,7)/t3-/m1/s1",69.97478000000001,33.8406,
14096,[C:1]([C@@:2]1([C:5](=[O:6])[N:7]([H:14])[H:15])[C:3]([H:11])([H:12])[N:4]1[H:13])([H:8])([H:9])[H:10],[C:1]([C@@:2]12[N:4]([H:13])[C:3]([H:11])([H:12])[C@:5]1([N:7]([H:14])[H:15])[O:6]2)([H:8])([H:9])[H:10],"InChI=1S/C4H8N2O/c1-4(2-6-4)3(5)7/h6H,2H2,1H3,(H2,5,7)/t4-/m0/s1","InChI=1S/C4H8N2O/c1-3-4(5,7-3)2-6-3/h6H,2,5H2,1H3/t3-,4-/m0/s1",53.270309999999995,40.642,
14097,[C:1]([C@@:2]1([C:5](=[O:6])[N:7]([H:14])[H:15])[C:3]([H:11])([H:12])[N:4]1[H:13])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([C+:5]([O:6][H:12])[N:7]([H:14])[H:15])[C-:3]([H:11])[N:4]1[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H8N2O/c1-4(2-6-4)3(5)7/h6H,2H2,1H3,(H2,5,7)/t4-/m0/s1","InChI=1S/C4H8N2O/c1-4(2-6-4)3(5)7/h2,6-7H,5H2,1H3/t4-/m0/s1",95.97094,73.32454,
14098,[C:1]([C@@:2]1([C:5](=[O:6])[N:7]([H:14])[H:15])[C:3]([H:11])([H:12])[N:4]1[H:13])([H:8])([H:9])[H:10],[C-:5]#[O+:6].[C:1]([C:2](=[C:3]([H:11])[H:12])[N:4]([N:7]([H:14])[H:15])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H8N2O/c1-4(2-6-4)3(5)7/h6H,2H2,1H3,(H2,5,7)/t4-/m0/s1","InChI=1S/C3H8N2.CO/c1-3(2)5-4;1-2/h5H,1,4H2,2H3;",96.21701999999999,35.211209999999994,
14099,[C:1]([C@@:2]1([C:5](=[O:6])[N:7]([H:14])[H:15])[C:3]([H:11])([H:12])[N:4]1[H:13])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:14].[C@:2]12([C:3]([H:11])([H:12])[N:4]1[H:13])/[C:5](=[N:7]/[H:15])[O:6]2,"InChI=1S/C4H8N2O/c1-4(2-6-4)3(5)7/h6H,2H2,1H3,(H2,5,7)/t4-/m0/s1","InChI=1S/C3H4N2O.CH4/c4-2-3(6-2)1-5-3;/h4-5H,1H2;1H4/b4-2-;/t3-;/m0./s1",85.78158,60.60259,
14100,[C:1]([C@@:2]1([C:5](=[O:6])[N:7]([H:14])[H:15])[C:3]([H:11])([H:12])[N:4]1[H:13])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([O+:6]=[C-:5][N:7]([H:14])[H:15])[C:3]([H:11])([H:12])[N:4]1[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H8N2O/c1-4(2-6-4)3(5)7/h6H,2H2,1H3,(H2,5,7)/t4-/m0/s1","InChI=1S/C4H8N2O/c1-4(2-6-4)7-3-5/h6H,2,5H2,1H3/t4-/m1/s1",97.02341,56.72246,
14101,[C:1]([C@@:2]1([C:5](=[O:6])[N:7]([H:14])[H:15])[C:3]([H:11])([H:12])[N:4]1[H:13])([H:8])([H:9])[H:10],[C:1]([C:3]([N+:4](=[C:2]=[C:5]([O-:6])[N:7]([H:14])[H:15])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H8N2O/c1-4(2-6-4)3(5)7/h6H,2H2,1H3,(H2,5,7)/t4-/m0/s1","InChI=1S/C4H8N2O/c1-2-6-3-4(5)7/h7H,2,5H2,1H3",90.4499,22.98435,
14102,[C:1]([C@@:2]1([C:5](=[O:6])[N:7]([H:14])[H:15])[C:3]([H:11])([H:12])[N:4]1[H:13])([H:8])([H:9])[H:10],[C:1]([C@:5]1([N:7]([H:14])[H:15])[C@:2]2([C:3]([H:11])([H:12])[N:4]2[H:13])[O:6]1)([H:8])([H:9])[H:10],"InChI=1S/C4H8N2O/c1-4(2-6-4)3(5)7/h6H,2H2,1H3,(H2,5,7)/t4-/m0/s1","InChI=1S/C4H8N2O/c1-3(5)4(7-3)2-6-4/h6H,2,5H2,1H3/t3-,4+/m1/s1",91.62358,44.74968,
14103,[C:1]([C@@:2]1([C:5](=[O:6])[N:7]([H:14])[H:15])[C:3]([H:11])([H:12])[N:4]1[H:13])([H:8])([H:9])[H:10],[C:1]([C@@:2]12[C@@:3]([H:12])([N:4]1[H:13])[C@@:5]2([O:6][H:11])[N:7]([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C4H8N2O/c1-4(2-6-4)3(5)7/h6H,2H2,1H3,(H2,5,7)/t4-/m0/s1","InChI=1S/C4H8N2O/c1-3-2(6-3)4(3,5)7/h2,6-7H,5H2,1H3/t2-,3+,4+/m1/s1",86.00564,54.4257,
14104,[C:1]([C@@:2]1([C:5](=[O:6])[N:7]([H:14])[H:15])[C:3]([H:11])([H:12])[N:4]1[H:13])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:3]([H:12])[N:4]1[H:13])([H:8])([H:9])[H:10].[C:5](=[O:6])=[N:7][H:14].[H:11][H:15],"InChI=1S/C4H8N2O/c1-4(2-6-4)3(5)7/h6H,2H2,1H3,(H2,5,7)/t4-/m0/s1","InChI=1S/C3H5N.CHNO.H2/c1-3-2-4-3;2-1-3;/h2,4H,1H3;2H;1H",98.7345,81.9551,
14105,[C:1]([C@@:2]1([C:5](=[O:6])[N:7]([H:14])[H:15])[C:3]([H:11])([H:12])[N:4]1[H:13])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:12].[C:2]1([C:5](=[O:6])[N:7]([H:14])[H:15])=[C:3]([H:11])[N:4]1[H:13],"InChI=1S/C4H8N2O/c1-4(2-6-4)3(5)7/h6H,2H2,1H3,(H2,5,7)/t4-/m0/s1","InChI=1S/C3H4N2O.CH4/c4-3(6)2-1-5-2;/h1,5H,(H2,4,6);1H4",117.36164,58.652730000000005,
14106,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[C:4]([H:14])([H:15])[O:5]/[C:6]1=[N:7]\[H:16])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])=[C:4]([H:14])[H:15])([H:8])([H:9])[H:10].[O:5]=[C:6]=[N:7][H:16],"InChI=1S/C5H9NO/c1-5(2)3-7-4(5)6/h6H,3H2,1-2H3/b6-4-","InChI=1S/C4H8.CHNO/c1-4(2)3;2-1-3/h1H2,2-3H3;2H",41.82557,-10.06981,2+2_cycloaddition
14107,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[C:4]([H:14])([H:15])[O:5]/[C:6]1=[N:7]\[H:16])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])(/[C:6]([O+:5]=[C-:4][H:14])=[N:7]/[H:16])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-5(2)3-7-4(5)6/h6H,3H2,1-2H3/b6-4-","InChI=1S/C5H9NO/c1-4(2)5(6)7-3/h3-4,6H,1-2H3/b6-5-",73.20754000000001,57.98581,
14108,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[C:4]([H:14])([H:15])[O:5]/[C:6]1=[N:7]\[H:16])([H:8])([H:9])[H:10],[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[C-:4]([H:15])[O+:5]=[C:6]1[N:7]([H:14])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-5(2)3-7-4(5)6/h6H,3H2,1-2H3/b6-4-","InChI=1S/C5H9NO/c1-5(2)3-7-4(5)6/h3H,6H2,1-2H3",95.58606,66.73813,
14109,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[C:4]([H:14])([H:15])[O:5]/[C:6]1=[N:7]\[H:16])([H:8])([H:9])[H:10],[C:1]([N:7]([C:6]1=[C:2]([C:3]([H:11])([H:12])[H:13])[C:4]([H:14])([H:15])[O:5]1)[H:16])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-5(2)3-7-4(5)6/h6H,3H2,1-2H3/b6-4-","InChI=1S/C5H9NO/c1-4-3-7-5(4)6-2/h6H,3H2,1-2H3",96.76507,26.984779999999997,
14110,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[C:4]([H:14])([H:15])[O:5]/[C:6]1=[N:7]\[H:16])([H:8])([H:9])[H:10],[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[C:6](=[O+:5][C-:4]([H:14])[H:15])[N:7]1[H:16])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-5(2)3-7-4(5)6/h6H,3H2,1-2H3/b6-4-","InChI=1S/C5H9NO/c1-5(2)4(6-5)7-3/h6H,3H2,1-2H3",94.50192,85.89671,
14111,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[C:4]([H:14])([H:15])[O:5]/[C:6]1=[N:7]\[H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]1(/[C:6]([C:3]([H:11])([H:12])[H:13])=[N:7]/[H:16])[C:4]([H:14])([H:15])[O:5]1)([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-5(2)3-7-4(5)6/h6H,3H2,1-2H3/b6-4-","InChI=1S/C5H9NO/c1-4(6)5(2)3-7-5/h6H,3H2,1-2H3/b6-4+/t5-/m0/s1",84.71475,13.57407,
14112,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[C:4]([H:14])([H:15])[O:5]/[C:6]1=[N:7]\[H:16])([H:8])([H:9])[H:10],[C:1](=[C:2]1[C:3]([H:11])([H:13])/[C:6](=[N:7]/[H:16])[O:5][C:4]1([H:14])[H:15])([H:8])[H:9].[H:10][H:12],"InChI=1S/C5H9NO/c1-5(2)3-7-4(5)6/h6H,3H2,1-2H3/b6-4-","InChI=1S/C5H7NO.H2/c1-4-2-5(6)7-3-4;/h6H,1-3H2;1H/b6-5-;",102.04575,17.094620000000003,
14113,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[C:4]([H:14])([H:15])[O:5]/[C:6]1=[N:7]\[H:16])([H:8])([H:9])[H:10],[C:1](=[C:2]([C:3]([H:11])([H:12])[H:13])[C:4]([O:5]/[C:6](=[N:7]/[H:16])[H:10])([H:14])[H:15])([H:8])[H:9],"InChI=1S/C5H9NO/c1-5(2)3-7-4(5)6/h6H,3H2,1-2H3/b6-4-","InChI=1S/C5H9NO/c1-5(2)3-7-4-6/h4,6H,1,3H2,2H3/b6-4+",94.56746,6.02805,
14114,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[C:4]([H:14])([H:15])[O:5]/[C:6]1=[N:7]\[H:16])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])=[C:6]=[N:7][H:16])([H:8])([H:9])[H:10].[C:4](=[O:5])([H:14])[H:15],"InChI=1S/C5H9NO/c1-5(2)3-7-4(5)6/h6H,3H2,1-2H3/b6-4-","InChI=1S/C4H7N.CH2O/c1-4(2)3-5;1-2/h5H,1-2H3;1H2",54.15628,28.12915,2+2_cycloaddition
14115,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[C:4]([H:14])([H:15])[O:5]/[C:6]1=[N:7]\[H:16])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]([H:11])[H:13])[C:4]([O:5][C:6]#[N:7])([H:14])[H:15])([H:8])([H:9])[H:10].[H:12][H:16],"InChI=1S/C5H9NO/c1-5(2)3-7-4(5)6/h6H,3H2,1-2H3/b6-4-","InChI=1S/C5H7NO.H2/c1-5(2)3-7-4-6;/h1,3H2,2H3;1H",72.38433,35.09425,
14116,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[C:4]([H:14])([H:15])[O:5]/[C:6]1=[N:7]\[H:16])([H:8])([H:9])[H:10],[C:1]1([H:8])([H:9])[C@@:2]2([C:3]([H:11])([H:12])[H:13])[C@:4]1([H:14])[O:5]/[C:6]2=[N:7]\[H:16].[H:10][H:15],"InChI=1S/C5H9NO/c1-5(2)3-7-4(5)6/h6H,3H2,1-2H3/b6-4-","InChI=1S/C5H7NO.H2/c1-5-2-3(5)7-4(5)6;/h3,6H,2H2,1H3;1H/b6-4-;/t3-,5+;/m1./s1",103.20683000000001,44.25631,
14117,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[C:4]([H:14])([H:15])[O:5]/[C:6]1=[N:7]\[H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([C:6]#[N:7])[C:4]([H:14])([H:15])[O:5]1)([H:8])([H:9])[H:10].[C:3]([H:11])([H:12])([H:13])[H:16],"InChI=1S/C5H9NO/c1-5(2)3-7-4(5)6/h6H,3H2,1-2H3/b6-4-","InChI=1S/C4H5NO.CH4/c1-4(2-5)3-6-4;/h3H2,1H3;1H4/t4-;/m1./s1",106.55394,21.868129999999997,
14118,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[C:4]([H:14])([H:15])[O:5]/[C:6]1=[N:7]\[H:16])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:3]([H:11])/[C:6](=[N:7]/[H:16])[O:5][C:4]1([H:14])[H:15])([H:8])([H:9])[H:10].[H:12][H:13],"InChI=1S/C5H9NO/c1-5(2)3-7-4(5)6/h6H,3H2,1-2H3/b6-4-","InChI=1S/C5H7NO.H2/c1-4-2-5(6)7-3-4;/h2,6H,3H2,1H3;1H/b6-5-;",101.77639,8.32677,
14119,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[C:4]([H:14])([H:15])[O:5]/[C:6]1=[N:7]\[H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:12])[C:4]([H:14])([H:15])[O+:5]=[C:6]1[N:7]([C-:3]([H:11])[H:13])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-5(2)3-7-4(5)6/h6H,3H2,1-2H3/b6-4-","InChI=1S/C5H9NO/c1-4-3-7-5(4)6-2/h4,6H,2-3H2,1H3/t4-/m0/s1",106.33085,60.06194,
14120,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[C:4]([H:14])([H:15])[O:5]/[C:6]1=[N:7]\[H:16])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4]([O:5][H:16])([H:14])[H:15])[C:6]#[N:7])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-5(2)3-7-4(5)6/h6H,3H2,1-2H3/b6-4-","InChI=1S/C5H9NO/c1-5(2,3-6)4-7/h7H,4H2,1-2H3",60.79073,-7.004630000000001,
14121,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[C:4]([H:14])([H:15])[O:5]/[C:6]1=[N:7]\[H:16])([H:8])([H:9])[H:10],[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[C:4]([H:14])([H:15])[O:5]1)([H:8])([H:9])[H:10].[C:6]=[N:7][H:16],"InChI=1S/C5H9NO/c1-5(2)3-7-4(5)6/h6H,3H2,1-2H3/b6-4-","InChI=1S/C4H8O.CHN/c1-4(2)3-5-4;1-2/h3H2,1-2H3;2H",84.64622,48.14179,
14122,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[C:4]([H:14])([H:15])[O:5]/[C:6]1=[N:7]\[H:16])([H:8])([H:9])[H:10],[C:1]([C:2][C:4]([O:5]/[C:6]([C:3]([H:11])([H:12])[H:13])=[N:7]\[H:16])([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-5(2)3-7-4(5)6/h6H,3H2,1-2H3/b6-4-","InChI=1S/C5H9NO/c1-3-4-7-5(2)6/h6H,4H2,1-2H3/b6-5-",94.52125,77.90363,
14123,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[C:4]([H:14])([H:15])[O:5]/[C:6]1=[N:7]\[H:16])([H:8])([H:9])[H:10],[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[C-:4]=[O+:5]/[C:6]1=[N:7]\[H:16])([H:8])([H:9])[H:10].[H:14][H:15],"InChI=1S/C5H9NO/c1-5(2)3-7-4(5)6/h6H,3H2,1-2H3/b6-4-","InChI=1S/C5H7NO.H2/c1-5(2)3-7-4(5)6;/h6H,1-2H3;1H/b6-4-;",84.67474,78.1029,
14124,[N:1]#[C:2][C@@:3]1([H:8])[C:4]([H:9])([H:10])[C@@:5]2([H:11])[C:6]([H:12])([H:13])[N:7]12,[N:1]#[C:2][C:3]([N:7]1[C@:5]([C:4][H:10])([H:11])[C:6]1([H:12])[H:13])([H:8])[H:9],"InChI=1S/C5H6N2/c6-2-4-1-5-3-7(4)5/h4-5H,1,3H2/t4-,5+,7?/m1/s1","InChI=1S/C5H6N2/c1-5-4-7(5)3-2-6/h1,5H,3-4H2/t5-,7?/m0/s1",83.13868000000001,66.95976,
14125,[N:1]#[C:2][C@@:3]1([H:8])[C:4]([H:9])([H:10])[C@@:5]2([H:11])[C:6]([H:12])([H:13])[N:7]12,[N:1]#[C:2][C@@:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])=[N+:7]1[C-:6]([H:12])[H:13],"InChI=1S/C5H6N2/c6-2-4-1-5-3-7(4)5/h4-5H,1,3H2/t4-,5+,7?/m1/s1","InChI=1S/C5H6N2/c1-7-3-2-5(7)4-6/h3,5H,1-2H2/t5-/m1/s1",49.627759999999995,15.904229999999998,
14126,[N:1]#[C:2][C@@:3]1([H:8])[C:4]([H:9])([H:10])[C@@:5]2([H:11])[C:6]([H:12])([H:13])[N:7]12,[N:1]#[C:2]/[N:7]=[C:3](/[C:4]([C:5](=[C:6]([H:12])[H:13])[H:11])([H:9])[H:10])[H:8],"InChI=1S/C5H6N2/c6-2-4-1-5-3-7(4)5/h4-5H,1,3H2/t4-,5+,7?/m1/s1","InChI=1S/C5H6N2/c1-2-3-4-7-5-6/h2,4H,1,3H2/b7-4+",69.95255,-24.906670000000002,
14127,[N:1]#[C:2][C@@:3]1([H:8])[C:4]([H:9])([H:10])[C@@:5]2([H:11])[C:6]([H:12])([H:13])[N:7]12,[N:1]#[C:2][C@@:3]([C:4]([C:5][H:11])([H:9])[H:10])([N:7]=[C:6]([H:12])[H:13])[H:8],"InChI=1S/C5H6N2/c6-2-4-1-5-3-7(4)5/h4-5H,1,3H2/t4-,5+,7?/m1/s1","InChI=1S/C5H6N2/c1-3-5(4-6)7-2/h1,5H,2-3H2/t5-/m1/s1",62.11087,63.006730000000005,
14128,[N:1]#[C:2][C@@:3]1([H:8])[C:4]([H:9])([H:10])[C@@:5]2([H:11])[C:6]([H:12])([H:13])[N:7]12,[N:1]#[C:2][C-:3]1[C:4]([H:9])([H:10])[C@@:5]2([H:11])[C:6]([H:12])([H:13])[N+:7]12[H:8],"InChI=1S/C5H6N2/c6-2-4-1-5-3-7(4)5/h4-5H,1,3H2/t4-,5+,7?/m1/s1","InChI=1S/C5H6N2/c6-2-4-1-5-3-7(4)5/h5,7H,1,3H2/t5-/m0/s1",69.95137,40.95868,
14129,[N:1]#[C:2][C@@:3]1([H:8])[C:4]([H:9])([H:10])[C@@:5]2([H:11])[C:6]([H:12])([H:13])[N:7]12,[N+:1](#[C-:2])[C@@:3]1([H:8])[C:4]([H:9])([H:10])[C@@:5]2([H:11])[C:6]([H:12])([H:13])[N:7]12,"InChI=1S/C5H6N2/c6-2-4-1-5-3-7(4)5/h4-5H,1,3H2/t4-,5+,7?/m1/s1","InChI=1S/C5H6N2/c1-6-5-2-4-3-7(4)5/h4-5H,2-3H2/t4-,5+,7?/m0/s1",56.96966,23.33132,
14130,[N:1]#[C:2][C@@:3]1([H:8])[C:4]([H:9])([H:10])[C@@:5]2([H:11])[C:6]([H:12])([H:13])[N:7]12,[N:1]#[C:2][C@@:3]1([H:8])[C:4]([H:9])([H:10])[C:6]([H:12])([H:13])[C:5]([H:11])=[N:7]1,"InChI=1S/C5H6N2/c6-2-4-1-5-3-7(4)5/h4-5H,1,3H2/t4-,5+,7?/m1/s1","InChI=1S/C5H6N2/c6-4-5-2-1-3-7-5/h3,5H,1-2H2/t5-/m1/s1",64.42514,-40.06984,
14131,[N:1]#[C:2][C@@:3]1([H:8])[C:4]([H:9])([H:10])[C@@:5]2([H:11])[C:6]([H:12])([H:13])[N:7]12,[N:1](=[C:2]1/[C@@:3]2([H:8])[C:4]([H:9])([H:10])[C@@:5]3([H:11])[C@:6]1([H:12])[N:7]23)\[H:13],"InChI=1S/C5H6N2/c6-2-4-1-5-3-7(4)5/h4-5H,1,3H2/t4-,5+,7?/m1/s1","InChI=1S/C5H6N2/c6-4-2-1-3-5(4)7(2)3/h2-3,5-6H,1H2/b6-4-/t2-,3+,5+,7?/m1/s1",110.90562,14.43115,
14132,[N:1]#[C:2][C@@:3]1([H:8])[C:4]([H:9])([H:10])[C@@:5]2([H:11])[C:6]([H:12])([H:13])[N:7]12,[N:1]#[C:2][C@@:3]1([H:8])[C-:4]([H:9])[N+:7]12[C:5]([H:10])([H:11])[C:6]2([H:12])[H:13],"InChI=1S/C5H6N2/c6-2-4-1-5-3-7(4)5/h4-5H,1,3H2/t4-,5+,7?/m1/s1","InChI=1S/C5H6N2/c6-3-5-4-7(5)1-2-7/h4-5H,1-2H2/t5-/m0/s1",87.27026,62.47346999999999,
14133,[N:1]#[C:2][C@@:3]1([H:8])[C:4]([H:9])([H:10])[C@@:5]2([H:11])[C:6]([H:12])([H:13])[N:7]12,[N:1]1([H:12])[C:2][C@@:3]2([H:8])[C:4]([H:9])([H:10])[C@@:5]3([H:11])[C@:6]1([H:13])[N:7]23,"InChI=1S/C5H6N2/c6-2-4-1-5-3-7(4)5/h4-5H,1,3H2/t4-,5+,7?/m1/s1","InChI=1S/C5H6N2/c1-3-2-6-5-4(1)7(3)5/h3-6H,1H2/t3-,4+,5+,7?/m1/s1",77.09814,41.84977,
14134,[N:1]#[C:2][C@@:3]1([H:8])[C:4]([H:9])([H:10])[C@@:5]2([H:11])[C:6]([H:12])([H:13])[N:7]12,[N:1]#[C:2][C@@:3]1([H:8])[C:4]([H:9])([H:10])[C-:5]2[C:6]([H:12])([H:13])[N+:7]12[H:11],"InChI=1S/C5H6N2/c6-2-4-1-5-3-7(4)5/h4-5H,1,3H2/t4-,5+,7?/m1/s1","InChI=1S/C5H6N2/c6-2-4-1-5-3-7(4)5/h4,7H,1,3H2/t4-/m1/s1",58.007909999999995,49.609770000000005,
14135,[N:1]#[C:2][C@@:3]1([H:8])[C:4]([H:9])([H:10])[C@@:5]2([H:11])[C:6]([H:12])([H:13])[N:7]12,[N:1]#[C:2]/[C:3](=[N:7]/[C:6]([C:5](=[C:4]([H:9])[H:10])[H:11])([H:12])[H:13])[H:8],"InChI=1S/C5H6N2/c6-2-4-1-5-3-7(4)5/h4-5H,1,3H2/t4-,5+,7?/m1/s1","InChI=1S/C5H6N2/c1-2-4-7-5-3-6/h2,5H,1,4H2/b7-5+",43.941629999999996,-20.600270000000002,
14136,[N:1]#[C:2][C@@:3]1([H:8])[C:4]([H:9])([H:10])[C@@:5]2([H:11])[C:6]([H:12])([H:13])[N:7]12,[N:1]#[C:2][C@@:3]1([H:8])[C:4]([H:9])([H:10])[C@:5]1([N:7]=[C:6]([H:12])[H:13])[H:11],"InChI=1S/C5H6N2/c6-2-4-1-5-3-7(4)5/h4-5H,1,3H2/t4-,5+,7?/m1/s1","InChI=1S/C5H6N2/c1-7-5-2-4(5)3-6/h4-5H,1-2H2/t4-,5-/m1/s1",61.7897,-18.33176,
14137,[N:1]#[C:2][C@@:3]1([H:8])[C:4]([H:9])([H:10])[C@@:5]2([H:11])[C:6]([H:12])([H:13])[N:7]12,[N-:1]=[C:2]([C@@:3]1([H:8])[C:4]([H:9])([H:10])[C@@:5]2([H:11])[C:6]([H:12])=[N+:7]12)[H:13],"InChI=1S/C5H6N2/c6-2-4-1-5-3-7(4)5/h4-5H,1,3H2/t4-,5+,7?/m1/s1","InChI=1S/C5H6N2/c6-2-4-1-5-3-7(4)5/h2-5H,1H2/t4-,5+/m1/s1",129.01649,72.68973000000001,
14138,[N:1]#[C:2][C@@:3]1([H:8])[C:4]([H:9])([H:10])[C@@:5]2([H:11])[C:6]([H:12])([H:13])[N:7]12,[N:1]#[C:2][C@@:3]1([H:8])[C:4]([H:9])([H:10])[C@@:5]2([H:11])[C-:6]([H:13])[N+:7]12[H:12],"InChI=1S/C5H6N2/c6-2-4-1-5-3-7(4)5/h4-5H,1,3H2/t4-,5+,7?/m1/s1","InChI=1S/C5H6N2/c6-2-4-1-5-3-7(4)5/h3-5,7H,1H2/t4-,5+/m1/s1",67.72266,56.348130000000005,
14139,[N:1]#[C:2][C@@:3]1([H:8])[C:4]([H:9])([H:10])[C@@:5]2([H:11])[C:6]([H:12])([H:13])[N:7]12,[N:1]#[C:2][C@@:3]1([H:8])[C:4]([H:9])([H:10])[C:5][C:6]([H:12])([H:13])[N:7]1[H:11],"InChI=1S/C5H6N2/c6-2-4-1-5-3-7(4)5/h4-5H,1,3H2/t4-,5+,7?/m1/s1","InChI=1S/C5H6N2/c6-4-5-2-1-3-7-5/h5,7H,2-3H2/t5-/m1/s1",57.935790000000004,40.351409999999994,
14140,[N:1]#[C:2][C@@:3]1([H:8])[C:4]([H:9])([H:10])[C@@:5]2([H:11])[C:6]([H:12])([H:13])[N:7]12,[N-:1]=[C:2]=[C+:3][C:4]([C@@:5]1([H:11])[C:6]([H:12])([H:13])[N:7]1[H:8])([H:9])[H:10],"InChI=1S/C5H6N2/c6-2-4-1-5-3-7(4)5/h4-5H,1,3H2/t4-,5+,7?/m1/s1","InChI=1S/C5H6N2/c6-3-1-2-5-4-7-5/h5,7H,2,4H2/t5-/m0/s1",59.090180000000004,50.1207,
14141,[N:1]#[C:2][C@@:3]1([H:8])[C:4]([H:9])([H:10])[C@@:5]2([H:11])[C:6]([H:12])([H:13])[N:7]12,[H:8][H:9].[N:1]#[C:2][C:3]1=[C:4]([H:10])[C@@:5]2([H:11])[C:6]([H:12])([H:13])[N:7]12,"InChI=1S/C5H6N2/c6-2-4-1-5-3-7(4)5/h4-5H,1,3H2/t4-,5+,7?/m1/s1","InChI=1S/C5H4N2.H2/c6-2-4-1-5-3-7(4)5;/h1,5H,3H2;1H/t5-,7?;/m0./s1",106.45527,35.73818,
14142,[N:1]#[C:2][C@@:3]1([H:8])[C:4]([H:9])([H:10])[C@@:5]2([H:11])[C:6]([H:12])([H:13])[N:7]12,[N:1]1=[C:2]([H:12])[C@@:3]1([C:4]([C@@:5]1([H:11])[C:6]([H:13])=[N:7]1)([H:9])[H:10])[H:8],"InChI=1S/C5H6N2/c6-2-4-1-5-3-7(4)5/h4-5H,1,3H2/t4-,5+,7?/m1/s1","InChI=1S/C5H6N2/c1(4-2-6-4)5-3-7-5/h2-5H,1H2/t4-,5-/m0/s1",74.5884,35.936690000000006,
14143,[N:1]#[C:2][C@@:3]1([H:8])[C:4]([H:9])([H:10])[C@@:5]2([H:11])[C:6]([H:12])([H:13])[N:7]12,[C:5]1([H:11])=[N:7][C:6]1([H:12])[H:13].[N:1]#[C:2][C:3](=[C:4]([H:9])[H:10])[H:8],"InChI=1S/C5H6N2/c6-2-4-1-5-3-7(4)5/h4-5H,1,3H2/t4-,5+,7?/m1/s1","InChI=1S/C3H3N.C2H3N/c1-2-3-4;1-2-3-1/h2H,1H2;1H,2H2",75.20451,16.410120000000003,
14144,[N:1]#[C:2][C@@:3]1([H:8])[C:4]([H:9])([H:10])[C@@:5]2([H:11])[C:6]([H:12])([H:13])[N:7]12,[N+:1]1#[C:2][C@@:3]2([H:8])[C:4]([H:9])([H:10])[C-:5]([H:11])[N:7]2[C:6]1([H:12])[H:13],"InChI=1S/C5H6N2/c6-2-4-1-5-3-7(4)5/h4-5H,1,3H2/t4-,5+,7?/m1/s1","InChI=1S/C5H6N2/c1-2-7-4-6-3-5(1)7/h2,5H,1,4H2/t5-/m1/s1",90.93045,65.18809,
14145,[C:1]([C:2]12[C:3]([H:11])([H:12])[C:4]([H:13])([C:5]1([H:14])[H:15])[O:6][C:7]2([H:16])[H:17])([H:8])([H:9])[H:10],[C:1]([C:2]1([C:5]([H:12])([H:14])[H:15])[C:3]([H:11])=[C:4]([H:13])[O:6][C:7]1([H:16])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-6-2-5(3-6)7-4-6/h5H,2-4H2,1H3","InChI=1S/C6H10O/c1-6(2)3-4-7-5-6/h3-4H,5H2,1-2H3",101.09357,-17.45334,
14146,[C:1]([C:2]12[C:3]([H:11])([H:12])[C:4]([H:13])([C:5]1([H:14])[H:15])[O:6][C:7]2([H:16])[H:17])([H:8])([H:9])[H:10],[C:1]([C@:2]1([C:5][H:14])[C:3]([H:11])([H:12])[C:4]([H:13])([H:15])[O:6][C:7]1([H:16])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-6-2-5(3-6)7-4-6/h5H,2-4H2,1H3","InChI=1S/C6H10O/c1-6(2)3-4-7-5-6/h1H,3-5H2,2H3/t6-/m1/s1",74.26916,71.93004,
14147,[C:1]([C:2]12[C:3]([H:11])([H:12])[C:4]([H:13])([C:5]1([H:14])[H:15])[O:6][C:7]2([H:16])[H:17])([H:8])([H:9])[H:10],[C:1]([C:2]1([C:5]([H:13])([H:14])[H:15])[C:3]([H:11])([H:12])[C-:4]=[O+:6][C:7]1([H:16])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-6-2-5(3-6)7-4-6/h5H,2-4H2,1H3","InChI=1S/C6H10O/c1-6(2)3-4-7-5-6/h3,5H2,1-2H3",57.76065,22.74311,
14148,[C:1]([C:2]12[C:3]([H:11])([H:12])[C:4]([H:13])([C:5]1([H:14])[H:15])[O:6][C:7]2([H:16])[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:17])[C:3]([H:11])([H:12])[C@@:4]([O+:6]=[C-:7][H:16])([H:13])[C:5]1([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-6-2-5(3-6)7-4-6/h5H,2-4H2,1H3","InChI=1S/C6H10O/c1-5-3-6(4-5)7-2/h2,5-6H,3-4H2,1H3/t5-,6-",72.23073000000001,54.04629,
14149,[C:1]([C:2]12[C:3]([H:11])([H:12])[C:4]([H:13])([C:5]1([H:14])[H:15])[O:6][C:7]2([H:16])[H:17])([H:8])([H:9])[H:10],[C:1]([C@:2]1([H:15])[C:3]([H:11])([H:12])[C@:4]([C:5][H:14])([H:13])[O:6][C:7]1([H:16])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-6-2-5(3-6)7-4-6/h5H,2-4H2,1H3","InChI=1S/C6H10O/c1-5-3-6(2)7-4-5/h2,5-6H,3-4H2,1H3/t5-,6-/m1/s1",74.21338,66.51266,
14150,[C:1]([C:2]12[C:3]([H:11])([H:12])[C:4]([H:13])([C:5]1([H:14])[H:15])[O:6][C:7]2([H:16])[H:17])([H:8])([H:9])[H:10],[C:1]([C:2]1([C:7]([O:6][H:13])([H:16])[H:17])[C:3]([H:11])([H:12])[C:4][C:5]1([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-6-2-5(3-6)7-4-6/h5H,2-4H2,1H3","InChI=1S/C6H10O/c1-6(5-7)3-2-4-6/h7H,3-5H2,1H3",65.49562,66.0848,
14151,[C:1]([C:2]12[C:3]([H:11])([H:12])[C:4]([H:13])([C:5]1([H:14])[H:15])[O:6][C:7]2([H:16])[H:17])([H:8])([H:9])[H:10],[C:1](=[C:2]1[C@:5]2([H:14])[C:3]([H:11])([H:12])[C@:4]2([H:13])[O:6][C:7]1([H:16])[H:17])([H:8])[H:10].[H:9][H:15],"InChI=1S/C6H10O/c1-6-2-5(3-6)7-4-6/h5H,2-4H2,1H3","InChI=1S/C6H8O.H2/c1-4-3-7-6-2-5(4)6;/h5-6H,1-3H2;1H/t5-,6-;/m0./s1",97.56614,24.30898,
14152,[C:1]([C:2]12[C:3]([H:11])([H:12])[C:4]([H:13])([C:5]1([H:14])[H:15])[O:6][C:7]2([H:16])[H:17])([H:8])([H:9])[H:10],[C:1]([C:2][C:7]([O:6][C:4]1([H:13])[C:3]([H:11])([H:12])[C:5]1([H:14])[H:15])([H:16])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-6-2-5(3-6)7-4-6/h5H,2-4H2,1H3","InChI=1S/C6H10O/c1-2-5-7-6-3-4-6/h6H,3-5H2,1H3",116.67466,83.55964,
14153,[C:1]([C:2]12[C:3]([H:11])([H:12])[C:4]([H:13])([C:5]1([H:14])[H:15])[O:6][C:7]2([H:16])[H:17])([H:8])([H:9])[H:10],[C:1]([C:2]12[C:3]([H:11])([H:12])[C:4]([H:13])([C:5]1([H:14])[H:15])[O+:6]=[C-:7]2)([H:8])([H:9])[H:10].[H:16][H:17],"InChI=1S/C6H10O/c1-6-2-5(3-6)7-4-6/h5H,2-4H2,1H3","InChI=1S/C6H8O.H2/c1-6-2-5(3-6)7-4-6;/h5H,2-3H2,1H3;1H",76.27953000000001,68.02393000000001,
14154,[C:1]([C:2]12[C:3]([H:11])([H:12])[C:4]([H:13])([C:5]1([H:14])[H:15])[O:6][C:7]2([H:16])[H:17])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:3]([H:11])[C:4]([H:12])([H:13])[C:5]1([H:14])[H:15])([H:8])([H:9])[H:10].[O:6]=[C:7]([H:16])[H:17],"InChI=1S/C6H10O/c1-6-2-5(3-6)7-4-6/h5H,2-4H2,1H3","InChI=1S/C5H8.CH2O/c1-5-3-2-4-5;1-2/h3H,2,4H2,1H3;1H2",76.025,16.92676,
14155,[C:1]([C:2]12[C:3]([H:11])([H:12])[C:4]([H:13])([C:5]1([H:14])[H:15])[O:6][C:7]2([H:16])[H:17])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]([H:11])[H:12])[C:7]([O:6][C:4](=[C:5]([H:14])[H:15])[H:13])([H:16])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-6-2-5(3-6)7-4-6/h5H,2-4H2,1H3","InChI=1S/C6H10O/c1-4-7-5-6(2)3/h4H,1-2,5H2,3H3",49.94737,-2.72815,
14156,[C:1]([C:2]12[C:3]([H:11])([H:12])[C:4]([H:13])([C:5]1([H:14])[H:15])[O:6][C:7]2([H:16])[H:17])([H:8])([H:9])[H:10],[C:1]([C:2][C:3]([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C:7]([H:16])([H:17])[O:6]1)([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-6-2-5(3-6)7-4-6/h5H,2-4H2,1H3","InChI=1S/C6H10O/c1-2-3-6-4-5-7-6/h6H,3-5H2,1H3/t6-/m0/s1",116.54325,78.2869,
14157,[C:1]([C:2]12[C:3]([H:11])([H:12])[C:4]([H:13])([C:5]1([H:14])[H:15])[O:6][C:7]2([H:16])[H:17])([H:8])([H:9])[H:10],[C:1]([C:2]1([C:3]([C:4][H:13])([H:11])[H:12])[C:5]([H:14])([H:15])[O:6][C:7]1([H:16])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-6-2-5(3-6)7-4-6/h5H,2-4H2,1H3","InChI=1S/C6H10O/c1-3-6(2)4-7-5-6/h1H,3-5H2,2H3",99.19918,90.39487,
14158,[C:1]([C:2]12[C:3]([H:11])([H:12])[C:4]([H:13])([C:5]1([H:14])[H:15])[O:6][C:7]2([H:16])[H:17])([H:8])([H:9])[H:10],[C:1]([C:5]([C@:4]1([H:13])[C:3]([H:11])([H:12])[C:2][C:7]([H:16])([H:17])[O:6]1)([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-6-2-5(3-6)7-4-6/h5H,2-4H2,1H3","InChI=1S/C6H10O/c1-2-6-4-3-5-7-6/h6H,2,4-5H2,1H3/t6-/m1/s1",105.85848,54.392030000000005,
14159,[C:1]([C:2]1([H:11])[C:3]([H:12])([H:13])[C:4]2([C:5]([H:14])([H:15])[C:6]2([H:16])[H:17])[C:7]1([H:18])[H:19])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@@:4]([C:5]([H:14])([H:15])[H:17])([C:6][H:16])[C:7]1([H:18])[H:19])([H:8])([H:9])[H:10],"InChI=1S/C7H12/c1-6-4-7(5-6)2-3-7/h6H,2-5H2,1H3","InChI=1S/C7H12/c1-6-4-7(2,3)5-6/h2,6H,4-5H2,1,3H3/t6-,7-",66.65219,73.57421,
14160,[C:1]([C:2]1([H:11])[C:3]([H:12])([H:13])[C:4]2([C:5]([H:14])([H:15])[C:6]2([H:16])[H:17])[C:7]1([H:18])[H:19])([H:8])([H:9])[H:10],[C:1]([C:2]1([H:11])[C:3]([H:12])([H:13])[C:4](=[C:5]([H:14])[H:15])[C:7]1([H:18])[H:19])([C:6]([H:9])([H:16])[H:17])([H:8])[H:10],"InChI=1S/C7H12/c1-6-4-7(5-6)2-3-7/h6H,2-5H2,1H3","InChI=1S/C7H12/c1-3-7-4-6(2)5-7/h7H,2-5H2,1H3",96.12675,-6.16345,
14161,[C:1]([C:2]1([H:11])[C:3]([H:12])([H:13])[C:4]2([C:5]([H:14])([H:15])[C:6]2([H:16])[H:17])[C:7]1([H:18])[H:19])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])=[C:4]([C:6](=[C:5]([H:14])[H:15])[H:17])[C:7]1([H:18])[H:19])([H:8])([H:9])[H:10].[H:13][H:16],"InChI=1S/C7H12/c1-6-4-7(5-6)2-3-7/h6H,2-5H2,1H3","InChI=1S/C7H10.H2/c1-3-7-4-6(2)5-7;/h3-4,6H,1,5H2,2H3;1H/t6-;/m0./s1",91.45746,21.50667,
14162,[C:1]([C:2]1([H:11])[C:3]([H:12])([H:13])[C:4]2([C:5]([H:14])([H:15])[C:6]2([H:16])[H:17])[C:7]1([H:18])[H:19])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[C:4][C:7]1([H:18])[H:19])([H:8])([H:9])[H:10],"InChI=1S/C7H12/c1-6-4-7(5-6)2-3-7/h6H,2-5H2,1H3","InChI=1S/C7H12/c1-7-5-3-2-4-6-7/h7H,2-3,5-6H2,1H3/t7-/m0/s1",81.6821,47.0526,
14163,[C:1]([C:2]1([H:11])[C:3]([H:12])([H:13])[C:4]2([C:5]([H:14])([H:15])[C:6]2([H:16])[H:17])[C:7]1([H:18])[H:19])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([C:5]([C:6]([H:16])([H:17])[H:19])([H:14])[H:15])=[C:7]1[H:18])([H:8])([H:9])[H:10],"InChI=1S/C7H12/c1-6-4-7(5-6)2-3-7/h6H,2-5H2,1H3","InChI=1S/C7H12/c1-3-7-4-6(2)5-7/h4,6H,3,5H2,1-2H3/t6-/m1/s1",68.03879,-7.05888,
14164,[C:1]([C:2]1([H:11])[C:3]([H:12])([H:13])[C:4]2([C:5]([H:14])([H:15])[C:6]2([H:16])[H:17])[C:7]1([H:18])[H:19])([H:8])([H:9])[H:10],[C:1]([C@@:2]([C:3][H:13])([C:7]([C:4]1([H:12])[C:5]([H:14])([H:15])[C:6]1([H:16])[H:17])([H:18])[H:19])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C7H12/c1-6-4-7(5-6)2-3-7/h6H,2-5H2,1H3","InChI=1S/C7H12/c1-6(2)5-7-3-4-7/h1,6-7H,3-5H2,2H3/t6-/m1/s1",79.51567,79.42678000000001,
14165,[C:1]([C:2]1([H:11])[C:3]([H:12])([H:13])[C:4]2([C:5]([H:14])([H:15])[C:6]2([H:16])[H:17])[C:7]1([H:18])[H:19])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([C:4]1([C:7][H:19])[C:5]([H:14])([H:15])[C:6]1([H:16])[H:17])([H:12])[H:13])([H:11])[H:18])([H:8])([H:9])[H:10],"InChI=1S/C7H12/c1-6-4-7(5-6)2-3-7/h6H,2-5H2,1H3","InChI=1S/C7H12/c1-3-4-7(2)5-6-7/h2H,3-6H2,1H3",74.75180999999999,67.58762,
14166,[C:1]([C:2]1([H:11])[C:3]([H:12])([H:13])[C:4]2([C:5]([H:14])([H:15])[C:6]2([H:16])[H:17])[C:7]1([H:18])[H:19])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]([H:12])[H:13])[H:11])([H:8])([H:9])[H:10].[C:4]1(=[C:7]([H:18])[H:19])[C:5]([H:14])([H:15])[C:6]1([H:16])[H:17],"InChI=1S/C7H12/c1-6-4-7(5-6)2-3-7/h6H,2-5H2,1H3","InChI=1S/C4H6.C3H6/c1-4-2-3-4;1-3-2/h1-3H2;3H,1H2,2H3",64.83776,24.238329999999998,
14167,[C:1]([C:2]1([H:11])[C:3]([H:12])([H:13])[C:4]2([C:5]([H:14])([H:15])[C:6]2([H:16])[H:17])[C:7]1([H:18])[H:19])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]([H:12])[H:13])[H:11])([H:8])([H:9])[H:10].[C:4]1([C:7]([H:17])([H:18])[H:19])=[C:6]([H:16])[C:5]1([H:14])[H:15],"InChI=1S/C7H12/c1-6-4-7(5-6)2-3-7/h6H,2-5H2,1H3","InChI=1S/C4H6.C3H6/c1-4-2-3-4;1-3-2/h2H,3H2,1H3;3H,1H2,2H3",101.08202,35.73199,
14168,[C:1]([C:2]1([H:11])[C:3]([H:12])([H:13])[C:4]2([C:5]([H:14])([H:15])[C:6]2([H:16])[H:17])[C:7]1([H:18])[H:19])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:7]([H:18])[C:4]2([C:3]1([H:12])[H:13])[C:5]([H:14])([H:15])[C:6]2([H:16])[H:17])([H:8])([H:9])[H:10].[H:11][H:19],"InChI=1S/C7H12/c1-6-4-7(5-6)2-3-7/h6H,2-5H2,1H3","InChI=1S/C7H10.H2/c1-6-4-7(5-6)2-3-7;/h4H,2-3,5H2,1H3;1H",105.97553,30.18859,
14169,[C:1]([C:2]1([H:11])[C:3]([H:12])([H:13])[C:4]2([C:5]([H:14])([H:15])[C:6]2([H:16])[H:17])[C:7]1([H:18])[H:19])([H:8])([H:9])[H:10],[C:1]([C:2][C:3]([C:4]1([C:7]([H:11])([H:18])[H:19])[C:5]([H:14])([H:15])[C:6]1([H:16])[H:17])([H:12])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C7H12/c1-6-4-7(5-6)2-3-7/h6H,2-5H2,1H3","InChI=1S/C7H12/c1-3-4-7(2)5-6-7/h4-6H2,1-2H3",71.95907,67.52025,
14170,[C:1]([C:2]1([H:11])[C:3]([H:12])([H:13])[C:4]2([C:5]([H:14])([H:15])[C:6]2([H:16])[H:17])[C:7]1([H:18])[H:19])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:18])=[C:7]1[H:19])([H:8])([H:9])[H:10].[C:5](=[C:6]([H:16])[H:17])([H:14])[H:15],"InChI=1S/C7H12/c1-6-4-7(5-6)2-3-7/h6H,2-5H2,1H3","InChI=1S/C5H8.C2H4/c1-5-3-2-4-5;1-2/h2-3,5H,4H2,1H3;1-2H2/t5-;/m1./s1",89.0753,21.08555,
14171,[C:1]([C:2]1([H:11])[C:3]([H:12])([H:13])[C:4]2([C:5]([H:14])([H:15])[C:6]2([H:16])[H:17])[C:7]1([H:18])[H:19])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4](=[C-:6][H:16])[C+:5]([H:15])[C:7]1([H:18])[H:19])([H:8])([H:9])[H:10].[H:14][H:17],"InChI=1S/C7H12/c1-6-4-7(5-6)2-3-7/h6H,2-5H2,1H3","InChI=1S/C7H10.H2/c1-6-3-4-7(2)5-6;/h1,3,7H,4-5H2,2H3;1H/t7-;/m1./s1",149.75178,71.42661,
14172,[C:1]([C:2]1([H:11])[C:3]([H:12])([H:13])[C:4]2([C:5]([H:14])([H:15])[C:6]2([H:16])[H:17])[C:7]1([H:18])[H:19])([H:8])([H:9])[H:10],[C:1]([C:2][H:11])([H:8])([H:9])[H:10].[C:3]1([H:12])([H:13])[C:4]2([C:5]([H:14])([H:15])[C:6]2([H:16])[H:17])[C:7]1([H:18])[H:19],"InChI=1S/C7H12/c1-6-4-7(5-6)2-3-7/h6H,2-5H2,1H3","InChI=1S/C5H8.C2H4/c1-2-5(1)3-4-5;1-2/h1-4H2;1H,2H3",108.25458,112.53476,
14173,[C:1]([C:2]1([H:11])[C:3]([H:12])([H:13])[C:4]2([C:5]([H:14])([H:15])[C:6]2([H:16])[H:17])[C:7]1([H:18])[H:19])([H:8])([H:9])[H:10],[C:1]([C+:2]([C:7]([C:4](=[C:3]([H:12])[H:13])[C:6]([C-:5]([H:14])[H:15])([H:16])[H:17])([H:18])[H:19])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C7H12/c1-6-4-7(5-6)2-3-7/h6H,2-5H2,1H3","InChI=1S/C7H12/c1-4-6-7(3)5-2/h4H,2-3,5-6H2,1H3",67.00754,68.03328,
14174,[C:1]([C:2]1([H:11])[C:3]([H:12])([H:13])[C:4]2([C:5]([H:14])([H:15])[C:6]2([H:16])[H:17])[C:7]1([H:18])[H:19])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:11].[C:2]1[C:3]([H:12])([H:13])[C:4]2([C:5]([H:14])([H:15])[C:6]2([H:16])[H:17])[C:7]1([H:18])[H:19],"InChI=1S/C7H12/c1-6-4-7(5-6)2-3-7/h6H,2-5H2,1H3",InChI=1S/C6H8.CH4/c1-2-6(3-1)4-5-6;/h2-5H2;1H4,88.31463000000001,91.38525,
14175,[C:1]([C:2]1([H:11])[C:3]([H:12])([H:13])[C:4]2([C:5]([H:14])([H:15])[C:6]2([H:16])[H:17])[C:7]1([H:18])[H:19])([H:8])([H:9])[H:10],[C:1]([C:2]1([C:5]([H:11])([H:14])[H:15])[C:3]([H:12])([H:13])[C:4](=[C:6]([H:16])[H:17])[C:7]1([H:18])[H:19])([H:8])([H:9])[H:10],"InChI=1S/C7H12/c1-6-4-7(5-6)2-3-7/h6H,2-5H2,1H3","InChI=1S/C7H12/c1-6-4-7(2,3)5-6/h1,4-5H2,2-3H3",95.4233,-10.2006,
14176,[C:1]([c:2]1[c:3]([H:11])[n:4]([H:12])[c:5]([O:6][H:13])[n:7]1)([H:8])([H:9])[H:10],[C:1]([C:3](=[C:2]=[N:7][C:5](=[N:4][H:12])[O:6][H:13])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-3-2-5-4(7)6-3/h2H,1H3,(H2,5,6,7)","InChI=1S/C4H6N2O/c1-2-3-6-4(5)7/h2H,1H3,(H2,5,7)",89.07699000000001,31.245659999999997,
14177,[C:1]([c:2]1[c:3]([H:11])[n:4]([H:12])[c:5]([O:6][H:13])[n:7]1)([H:8])([H:9])[H:10],[C:1]([c:2]1[c:3]([H:11])[n:4]([H:12])[c:5](=[O:6])[n:7]1[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-3-2-5-4(7)6-3/h2H,1H3,(H2,5,6,7)","InChI=1S/C4H6N2O/c1-3-2-5-4(7)6-3/h2H,1H3,(H2,5,6,7)",34.35552,-8.14053,ketoenol
14178,[C:1]([c:2]1[c:3]([H:11])[n:4]([H:12])[c:5]([O:6][H:13])[n:7]1)([H:8])([H:9])[H:10],[C:1]([C:2]1=[N:7][C:5]([O:6][H:13])=[N:4][C:3]1([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-3-2-5-4(7)6-3/h2H,1H3,(H2,5,6,7)","InChI=1S/C4H6N2O/c1-3-2-5-4(7)6-3/h2H2,1H3,(H,5,7)",44.67468,9.34825,
14179,[C:1]([c:2]1[c:3]([H:11])[n:4]([H:12])[c:5]([O:6][H:13])[n:7]1)([H:8])([H:9])[H:10],[C:1]([C@@:2]1(/[C:3](=[N:4]/[H:12])[H:11])[C:5]([O:6][H:13])=[N:7]1)([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-3-2-5-4(7)6-3/h2H,1H3,(H2,5,6,7)","InChI=1S/C4H6N2O/c1-4(2-5)3(7)6-4/h2,5H,1H3,(H,6,7)/b5-2+/t4-/m1/s1",91.88651999999999,52.36417,
14180,[C:1]([c:2]1[c:3]([H:11])[n:4]([H:12])[c:5]([O:6][H:13])[n:7]1)([H:8])([H:9])[H:10],[C:1](=[C:2]1[C:3]([H:10])([H:11])[N:4]([H:12])[C:5]([O:6][H:13])=[N:7]1)([H:8])[H:9],"InChI=1S/C4H6N2O/c1-3-2-5-4(7)6-3/h2H,1H3,(H2,5,6,7)","InChI=1S/C4H6N2O/c1-3-2-5-4(7)6-3/h1-2H2,(H2,5,6,7)",83.18500999999999,13.22989,
14181,[C:1]([c:2]1[c:3]([H:11])[n:4]([H:12])[c:5]([O:6][H:13])[n:7]1)([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:3]([H:11])[N:4]([H:12])/[C:5]1=[N:7]\[O:6][H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-3-2-5-4(7)6-3/h2H,1H3,(H2,5,6,7)","InChI=1S/C4H6N2O/c1-3-2-5-4(3)6-7/h2,7H,1H3,(H,5,6)",142.12691999999998,80.17148,
14182,[C:1]([c:2]1[c:3]([H:11])[n:4]([H:12])[c:5]([O:6][H:13])[n:7]1)([H:8])([H:9])[H:10],[C:1]([n+:7]1[c-:2][c:3]([H:11])[n:4]([H:12])[c:5]1[O:6][H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-3-2-5-4(7)6-3/h2H,1H3,(H2,5,6,7)","InChI=1S/C4H6N2O/c1-6-3-2-5-4(6)7/h2,5,7H,1H3",107.53258999999998,61.720490000000005,
14183,[C:1]([c:2]1[c:3]([H:11])[n:4]([H:12])[c:5]([O:6][H:13])[n:7]1)([H:8])([H:9])[H:10],[C:1]([C:2]1=[N:7][C:5](=[O:6])[N:4]([H:12])[C:3]1([H:11])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-3-2-5-4(7)6-3/h2H,1H3,(H2,5,6,7)","InChI=1S/C4H6N2O/c1-3-2-5-4(7)6-3/h2H2,1H3,(H,5,7)",88.75693000000001,-0.71197,
14184,[C:1]([c:2]1[c:3]([H:11])[n:4]([H:12])[c:5]([O:6][H:13])[n:7]1)([H:8])([H:9])[H:10],[C:1]1([H:8])([H:9])[C:2](=[N:7]/[C:5](=[N:4]/[H:12])[O:6][H:13])[C:3]1([H:10])[H:11],"InChI=1S/C4H6N2O/c1-3-2-5-4(7)6-3/h2H,1H3,(H2,5,6,7)","InChI=1S/C4H6N2O/c5-4(7)6-3-1-2-3/h1-2H2,(H2,5,7)",93.87594,42.32546,
14185,[C:1]([c:2]1[c:3]([H:11])[n:4]([H:12])[c:5]([O:6][H:13])[n:7]1)([H:8])([H:9])[H:10],[C:1]([C:2](/[C:3](=[N:4]\[H:12])[H:11])=[N+:7]=[C-:5][O:6][H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-3-2-5-4(7)6-3/h2H,1H3,(H2,5,6,7)","InChI=1S/C4H6N2O/c1-4(2-5)6-3-7/h2,5,7H,1H3/b5-2-",62.13749,55.27891999999999,
14186,[C:1]([c:2]1[c:3]([H:11])[n:4]([H:12])[c:5]([O:6][H:13])[n:7]1)([H:8])([H:9])[H:10],[C:1]([C:2]1=[N:7][C@:5]([O:6][H:13])([H:12])[N:4]=[C:3]1[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-3-2-5-4(7)6-3/h2H,1H3,(H2,5,6,7)","InChI=1S/C4H6N2O/c1-3-2-5-4(7)6-3/h2,4,7H,1H3/t4-/m0/s1",49.19928,22.82916,
14187,[C:1]([c:2]1[c:3]([H:11])[n:4]([H:12])[c:5]([O:6][H:13])[n:7]1)([H:8])([H:9])[H:10],[C:1](=[C:2]1[C-:3]([H:11])[N:4]([H:12])[C+:5]([O:6][H:13])[N:7]1[H:10])([H:8])[H:9],"InChI=1S/C4H6N2O/c1-3-2-5-4(7)6-3/h2H,1H3,(H2,5,6,7)","InChI=1S/C4H6N2O/c1-3-2-5-4(7)6-3/h2,5-7H,1H2",79.23901,59.42329,
14188,[C:1]([c:2]1[c:3]([H:11])[n:4]([H:12])[c:5]([O:6][H:13])[n:7]1)([H:8])([H:9])[H:10],[C:1]([N+:7]#[C:2][C-:3]([N+:4](=[C-:5][O:6][H:13])[H:12])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-3-2-5-4(7)6-3/h2H,1H3,(H2,5,6,7)","InChI=1S/C4H6N2O/c1-5-2-3-6-4-7/h3,6-7H,1H3",130.38586,80.55503,
14189,[C:1]([c:2]1[c:3]([H:11])[n:4]([H:12])[c:5]([O:6][H:13])[n:7]1)([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C-:3]=[N+:4]([H:12])[C:5]([O:6][H:13])=[N:7]1)([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-3-2-5-4(7)6-3/h2H,1H3,(H2,5,6,7)","InChI=1S/C4H6N2O/c1-3-2-5-4(7)6-3/h3,5H,1H3,(H,6,7)/t3-/m0/s1",58.017540000000004,49.57278,Singlet_Carbene_Intra_Disproportionation
14190,[C:1]([c:2]1[c:3]([H:11])[n:4]([H:12])[c:5]([O:6][H:13])[n:7]1)([H:8])([H:9])[H:10],[C:1]([C:2]1=[C-:3][N+:4]([H:11])([H:12])[C:5]([O:6][H:13])=[N:7]1)([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-3-2-5-4(7)6-3/h2H,1H3,(H2,5,6,7)","InChI=1S/C4H6N2O/c1-3-2-5-4(7)6-3/h5H2,1H3,(H,6,7)",87.95982,81.80638,
14191,[C:1]([c:2]1[c:3]([H:11])[n:4]([H:12])[c:5]([O:6][H:13])[n:7]1)([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:3]([H:11])[N:7]1/[C:5](=[N:4]/[H:12])[O:6][H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-3-2-5-4(7)6-3/h2H,1H3,(H2,5,6,7)","InChI=1S/C4H6N2O/c1-3-2-6(3)4(5)7/h2H,1H3,(H2,5,7)",89.70602,75.74188000000001,
14192,[C:1]([c:2]1[c:3]([H:11])[n:4]([H:12])[c:5]([O:6][H:13])[n:7]1)([H:8])([H:9])[H:10],[C:1](=[C:2]1[C:3]([H:11])=[N:4][C:5]([O:6][H:13])=[N:7]1)([H:8])[H:9].[H:10][H:12],"InChI=1S/C4H6N2O/c1-3-2-5-4(7)6-3/h2H,1H3,(H2,5,6,7)","InChI=1S/C4H4N2O.H2/c1-3-2-5-4(7)6-3;/h2H,1H2,(H,6,7);1H",98.61832,36.32895,
14193,[C:1]([c:2]1[c:3]([H:11])[n:4]([H:12])[c:5]([O:6][H:13])[n:7]1)([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]=[N:4][H:12])[H:11])([H:8])([H:9])[H:10].[C:5]([O:6][H:13])#[N:7],"InChI=1S/C4H6N2O/c1-3-2-5-4(7)6-3/h2H,1H3,(H2,5,6,7)","InChI=1S/C3H5N.CHNO/c1-2-3-4;2-1-3/h2,4H,1H3;3H",110.30757,55.00635,
14195,[C:1]([c:2]1[c:3]([H:11])[n:4]([H:12])[c:5]([O:6][H:13])[n:7]1)([H:8])([H:9])[H:10],[C:1](=[C:2](/[C:3](=[N:4]/[H:12])[H:11])/[N:7]=[C:5](/[O:6][H:13])[H:10])([H:8])[H:9],"InChI=1S/C4H6N2O/c1-3-2-5-4(7)6-3/h2H,1H3,(H2,5,6,7)","InChI=1S/C4H6N2O/c1-4(2-5)6-3-7/h2-3,5H,1H2,(H,6,7)/b5-2+",107.35868,26.00345,
14196,[O:1]([C:2]([C@@:3]([C:4](=[O:5])[H:12])([C:6]#[C:7][H:13])[H:11])([H:9])[H:10])[H:8],[O:1]1[C:2]([H:9])([H:10])[C@@:3]1([C@@:4]([O:5][H:8])([C:6]#[C:7][H:13])[H:12])[H:11],"InChI=1S/C5H6O2/c1-2-5(3-6)4-7/h1,3,5,7H,4H2/t5-/m1/s1","InChI=1S/C5H6O2/c1-2-4(6)5-3-7-5/h1,4-6H,3H2/t4-,5+/m0/s1",66.4269,23.795579999999998,
14197,[O:1]([C:2]([C@@:3]([C:4](=[O:5])[H:12])([C:6]#[C:7][H:13])[H:11])([H:9])[H:10])[H:8],[C-:4]#[O+:5].[O:1]([C:2]([C:3](=[C:6]=[C:7]([H:12])[H:13])[H:11])([H:9])[H:10])[H:8],"InChI=1S/C5H6O2/c1-2-5(3-6)4-7/h1,3,5,7H,4H2/t5-/m1/s1","InChI=1S/C4H6O.CO/c1-2-3-4-5;1-2/h3,5H,1,4H2;",34.07783,-5.70639,
14198,[O:1]([C:2]([C@@:3]([C:4](=[O:5])[H:12])([C:6]#[C:7][H:13])[H:11])([H:9])[H:10])[H:8],[C:3]([C:4](=[O:5])[H:12])(=[C:6]=[C:7]([H:8])[H:13])[H:11].[O:1]=[C:2]([H:9])[H:10],"InChI=1S/C5H6O2/c1-2-5(3-6)4-7/h1,3,5,7H,4H2/t5-/m1/s1","InChI=1S/C4H4O.CH2O/c1-2-3-4-5;1-2/h3-4H,1H2;1H2",22.84235,7.722410000000001,Retroene
14199,[O:1]([C:2]([C@@:3]([C:4](=[O:5])[H:12])([C:6]#[C:7][H:13])[H:11])([H:9])[H:10])[H:8],[C:3](=[C:4](/[O:5][H:8])[H:12])(\[C:6]#[C:7][H:13])[H:11].[O:1]=[C:2]([H:9])[H:10],"InChI=1S/C5H6O2/c1-2-5(3-6)4-7/h1,3,5,7H,4H2/t5-/m1/s1","InChI=1S/C4H4O.CH2O/c1-2-3-4-5;1-2/h1,3-5H;1H2/b4-3+;",19.49772,18.56778,Retroene
14200,[O:1]([C:2]([C@@:3]([C:4](=[O:5])[H:12])([C:6]#[C:7][H:13])[H:11])([H:9])[H:10])[H:8],[O:1]([C@@:2]1([H:9])[C@:3]([C:4](=[O:5])[H:12])([H:11])[C:6]1=[C:7]([H:10])[H:13])[H:8],"InChI=1S/C5H6O2/c1-2-5(3-6)4-7/h1,3,5,7H,4H2/t5-/m1/s1","InChI=1S/C5H6O2/c1-3-4(2-6)5(3)7/h2,4-5,7H,1H2/t4-,5+/m0/s1",65.23589,-5.11848,
14201,[O:1]([C:2]([C@@:3]([C:4](=[O:5])[H:12])([C:6]#[C:7][H:13])[H:11])([H:9])[H:10])[H:8],[O:1]([C:2](/[C:3](=[C:4](\[O:5][H:11])[H:12])[C:6]#[C:7][H:13])([H:9])[H:10])[H:8],"InChI=1S/C5H6O2/c1-2-5(3-6)4-7/h1,3,5,7H,4H2/t5-/m1/s1","InChI=1S/C5H6O2/c1-2-5(3-6)4-7/h1,3,6-7H,4H2/b5-3-",61.267790000000005,-5.00028,ketoenol
14202,[O:1]([C:2]([C@@:3]([C:4](=[O:5])[H:12])([C:6]#[C:7][H:13])[H:11])([H:9])[H:10])[H:8],[H:8][H:10].[O:1]=[C:2]([C:3]([C:4](=[O:5])[H:12])([C:6]#[C:7][H:13])[H:11])[H:9],"InChI=1S/C5H6O2/c1-2-5(3-6)4-7/h1,3,5,7H,4H2/t5-/m1/s1","InChI=1S/C5H4O2.H2/c1-2-5(3-6)4-7;/h1,3-5H;1H",86.83339000000001,24.74648,
14203,[O:1]([C:2]([C@@:3]([C:4](=[O:5])[H:12])([C:6]#[C:7][H:13])[H:11])([H:9])[H:10])[H:8],[O:1]([C:2]([C:3]([C:4](=[O:5])[H:12])=[C:6]=[C:7]([H:11])[H:13])([H:9])[H:10])[H:8],"InChI=1S/C5H6O2/c1-2-5(3-6)4-7/h1,3,5,7H,4H2/t5-/m1/s1","InChI=1S/C5H6O2/c1-2-5(3-6)4-7/h3,7H,1,4H2",52.54671,-13.163839999999999,
14204,[O:1]([C:2]([C@@:3]([C:4](=[O:5])[H:12])([C:6]#[C:7][H:13])[H:11])([H:9])[H:10])[H:8],[C@:2]12([H:10])[C@:3]([C:4](=[O:5])[H:12])([H:11])[C:6]1=[C:7]2[H:13].[O:1]([H:8])[H:9],"InChI=1S/C5H6O2/c1-2-5(3-6)4-7/h1,3,5,7H,4H2/t5-/m1/s1","InChI=1S/C5H4O.H2O/c6-2-5-3-1-4(3)5;/h1-3,5H;1H2/t3-,5-;/m1./s1",97.13880999999999,50.77727,
14205,[O:1]([C:2]([C@@:3]([C:4](=[O:5])[H:12])([C:6]#[C:7][H:13])[H:11])([H:9])[H:10])[H:8],[O:1]([C:2]([C@@:3]([C:4](=[O:5])[H:12])([C:7](=[C:6])[H:13])[H:11])([H:9])[H:10])[H:8],"InChI=1S/C5H6O2/c1-2-5(3-6)4-7/h1,3,5,7H,4H2/t5-/m1/s1","InChI=1S/C5H6O2/c1-2-5(3-6)4-7/h2-3,5,7H,4H2/t5-/m1/s1",59.27285,51.210640000000005,Singlet_Carbene_Intra_Disproportionation
14206,[O:1]([C:2]([C@@:3]([C:4](=[O:5])[H:12])([C:6]#[C:7][H:13])[H:11])([H:9])[H:10])[H:8],[O:1]1[C:2]([H:9])([H:10])[C@:3]([C:4](=[O:5])[H:12])([H:11])[C:6]1=[C:7]([H:8])[H:13],"InChI=1S/C5H6O2/c1-2-5(3-6)4-7/h1,3,5,7H,4H2/t5-/m1/s1","InChI=1S/C5H6O2/c1-4-5(2-6)3-7-4/h2,5H,1,3H2/t5-/m1/s1",67.79397,-8.49516,
14207,[O:1]([C:2]([C@@:3]([C:4](=[O:5])[H:12])([C:6]#[C:7][H:13])[H:11])([H:9])[H:10])[H:8],[O:1]1[C:2]([H:9])([H:10])[C@@:3]([C:6]#[C:7][H:13])([H:11])[C@@:4]1([O:5][H:8])[H:12],"InChI=1S/C5H6O2/c1-2-5(3-6)4-7/h1,3,5,7H,4H2/t5-/m1/s1","InChI=1S/C5H6O2/c1-2-4-3-7-5(4)6/h1,4-6H,3H2/t4-,5+/m0/s1",47.48927,15.78531,
14208,[O:1]([C:2]([C@@:3]([C:4](=[O:5])[H:12])([C:6]#[C:7][H:13])[H:11])([H:9])[H:10])[H:8],[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])=[C:6]1[C:7](=[O:5])[H:13])([H:9])[H:10])[H:8],"InChI=1S/C5H6O2/c1-2-5(3-6)4-7/h1,3,5,7H,4H2/t5-/m1/s1","InChI=1S/C5H6O2/c6-2-4-1-5(4)3-7/h1-2,5,7H,3H2/t5-/m1/s1",81.39613,15.005270000000001,
14209,[O:1]([C:2]([C@@:3]([C:4](=[O:5])[H:12])([C:6]#[C:7][H:13])[H:11])([H:9])[H:10])[H:8],[O:1]([C:2]([C:3](=[C:6]=[C:7]([C:4](=[O:5])[H:12])[H:13])[H:11])([H:9])[H:10])[H:8],"InChI=1S/C5H6O2/c1-2-5(3-6)4-7/h1,3,5,7H,4H2/t5-/m1/s1","InChI=1S/C5H6O2/c6-4-2-1-3-5-7/h2-4,7H,5H2",45.6004,-8.350010000000001,
14210,[O:1]([C:2]([C@@:3]([C:4](=[O:5])[H:12])([C:6]#[C:7][H:13])[H:11])([H:9])[H:10])[H:8],[O:1]([C:2](/[C:3](=[C:4](\[O:5][C:6]#[C:7][H:13])[H:12])[H:11])([H:9])[H:10])[H:8],"InChI=1S/C5H6O2/c1-2-5(3-6)4-7/h1,3,5,7H,4H2/t5-/m1/s1","InChI=1S/C5H6O2/c1-2-7-5-3-4-6/h1,3,5-6H,4H2/b5-3-",80.65477,27.607879999999998,ketoenol
14211,[O:1]([C:2]([C@@:3]([C:4](=[O:5])[H:12])([C:6]#[C:7][H:13])[H:11])([H:9])[H:10])[H:8],[O:1]([C@@:2]([C:3](=[C:6]=[C:7]([H:10])[H:13])[H:11])([C:4](=[O:5])[H:12])[H:9])[H:8],"InChI=1S/C5H6O2/c1-2-5(3-6)4-7/h1,3,5,7H,4H2/t5-/m1/s1","InChI=1S/C5H6O2/c1-2-3-5(7)4-6/h3-5,7H,1H2/t5-/m0/s1",64.23563,-7.714510000000001,
14212,[O:1]([C:2]([C@@:3]([C:4](=[O:5])[H:12])([C:6]#[C:7][H:13])[H:11])([H:9])[H:10])[H:8],[C:2](=[C:3]([C:6]#[C:7][H:13])[H:11])([H:9])[H:10].[O:1]([C:4](=[O:5])[H:12])[H:8],"InChI=1S/C5H6O2/c1-2-5(3-6)4-7/h1,3,5,7H,4H2/t5-/m1/s1","InChI=1S/C4H4.CH2O2/c1-3-4-2;2-1-3/h1,4H,2H2;1H,(H,2,3)",47.32253,-2.84297,
14213,[O:1]([C:2]([C@@:3]([C:4](=[O:5])[H:12])([C:6]#[C:7][H:13])[H:11])([H:9])[H:10])[H:8],[O:1]([C+:2]([C@@:3]([C:4](=[O:5])[H:12])([C-:6]=[C:7]([H:9])[H:13])[H:11])[H:10])[H:8],"InChI=1S/C5H6O2/c1-2-5(3-6)4-7/h1,3,5,7H,4H2/t5-/m1/s1","InChI=1S/C5H6O2/c1-2-5(3-6)4-7/h3-6H,1H2/t5-/m0/s1",53.75051,37.487359999999995,
14214,[O:1]([C:2]([C@@:3]([C:4](=[O:5])[H:12])([C:6]#[C:7][H:13])[H:11])([H:9])[H:10])[H:8],[O:1]([C:2]([C@@:3]1([H:11])[C@:4]([O:5][H:13])([H:12])[C:6]1=[C:7])([H:9])[H:10])[H:8],"InChI=1S/C5H6O2/c1-2-5(3-6)4-7/h1,3,5,7H,4H2/t5-/m1/s1","InChI=1S/C5H6O2/c1-3-4(2-6)5(3)7/h4-7H,2H2/t4-,5+/m1/s1",81.7194,61.507369999999995,
14215,[O:1]([C:2]([C@@:3]([C:4](=[O:5])[H:12])([C:6]#[C:7][H:13])[H:11])([H:9])[H:10])[H:8],[C+:3](=[C:6]=[C-:7][H:13])[H:11].[O:1]([C:2]([C:4](=[O:5])[H:12])([H:9])[H:10])[H:8],"InChI=1S/C5H6O2/c1-2-5(3-6)4-7/h1,3,5,7H,4H2/t5-/m1/s1","InChI=1S/C3H2.C2H4O2/c1-3-2;3-1-2-4/h1-2H;1,4H,2H2",77.50943000000001,86.08061,
14216,[O:1]([C:2]([C@@:3]([C:4](=[O:5])[H:12])([C:6]#[C:7][H:13])[H:11])([H:9])[H:10])[H:8],[O:1]([C:2]([C@:4]1([H:12])[C:3]([H:11])=[C:6]=[C:7]([H:13])[O:5]1)([H:9])[H:10])[H:8],"InChI=1S/C5H6O2/c1-2-5(3-6)4-7/h1,3,5,7H,4H2/t5-/m1/s1","InChI=1S/C5H6O2/c6-4-5-2-1-3-7-5/h2-3,5-6H,4H2/t5-/m0/s1",63.846990000000005,35.04014,
14217,[O:1]([C:2]([C@@:3]([C:4](=[O:5])[H:12])([C:6]#[C:7][H:13])[H:11])([H:9])[H:10])[H:8],[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])=[C:7]([H:13])[C:6]1=[O:5])([H:9])[H:10])[H:8],"InChI=1S/C5H6O2/c1-2-5(3-6)4-7/h1,3,5,7H,4H2/t5-/m1/s1","InChI=1S/C5H6O2/c6-3-4-1-2-5(4)7/h1-2,4,6H,3H2/t4-/m1/s1",108.34102,-11.80344,
14218,[N:1]([C:2](=[O:3])[C:4]([N:5]1[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])([H:10])[H:11])([H:8])[H:9],[N:1](/[C:2]([O:3][H:10])=[C:4](\[N:5]1[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])[H:11])([H:8])[H:9],"InChI=1S/C4H8N2O/c5-4(7)3-6-1-2-6/h1-3H2,(H2,5,7)","InChI=1S/C4H8N2O/c5-4(7)3-6-1-2-6/h3,7H,1-2,5H2/b4-3+",61.06827,24.57771,ketoenol
14219,[N:1]([C:2](=[O:3])[C:4]([N:5]1[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])([H:10])[H:11])([H:8])[H:9],[C-:4]([N+:5]1=[C:7]([H:15])[C:6]1([H:12])[H:13])([H:10])[H:11].[N:1]([C:2](=[O:3])[H:14])([H:8])[H:9],"InChI=1S/C4H8N2O/c5-4(7)3-6-1-2-6/h1-3H2,(H2,5,7)","InChI=1S/C3H5N.CH3NO/c1-4-2-3-4;2-1-3/h2H,1,3H2;1H,(H2,2,3)",70.60094000000001,62.337619999999994,
14220,[N:1]([C:2](=[O:3])[C:4]([N:5]1[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])([H:10])[H:11])([H:8])[H:9],[C:4]([N:5]1[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])([H:8])([H:10])[H:11].[N:1](=[C:2]=[O:3])[H:9],"InChI=1S/C4H8N2O/c5-4(7)3-6-1-2-6/h1-3H2,(H2,5,7)","InChI=1S/C3H7N.CHNO/c1-4-2-3-4;2-1-3/h2-3H2,1H3;2H",76.81623,13.4841,
14221,[N:1]([C:2](=[O:3])[C:4]([N:5]1[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])([H:10])[H:11])([H:8])[H:9],[N:1]([C:2](=[O:3])[C:4]([N+:5]1([H:13])[C-:6]([H:12])[C:7]1([H:14])[H:15])([H:10])[H:11])([H:8])[H:9],"InChI=1S/C4H8N2O/c5-4(7)3-6-1-2-6/h1-3H2,(H2,5,7)","InChI=1S/C4H8N2O/c5-4(7)3-6-1-2-6/h1,6H,2-3H2,(H2,5,7)",64.74651,57.12896,
14222,[N:1]([C:2](=[O:3])[C:4]([N:5]1[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])([H:10])[H:11])([H:8])[H:9],[N:1]([C@@:2]1([O:3][H:12])[C:4]([H:10])([H:11])[N:5]2[C@@:6]1([H:13])[C:7]2([H:14])[H:15])([H:8])[H:9],"InChI=1S/C4H8N2O/c5-4(7)3-6-1-2-6/h1-3H2,(H2,5,7)","InChI=1S/C4H8N2O/c5-4(7)2-6-1-3(4)6/h3,7H,1-2,5H2/t3-,4+,6?/m0/s1",81.68918000000001,36.966570000000004,
14223,[N:1]([C:2](=[O:3])[C:4]([N:5]1[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])([H:10])[H:11])([H:8])[H:9],[N:1]([C:2]1=[O+:3][C:6]([H:12])([H:13])[C:7]([H:14])([H:15])[N-:5][C:4]1([H:10])[H:11])([H:8])[H:9],"InChI=1S/C4H8N2O/c5-4(7)3-6-1-2-6/h1-3H2,(H2,5,7)","InChI=1S/C4H8N2O/c5-4-3-6-1-2-7-4/h1-3,5H2",54.34443,47.07137,
14224,[N:1]([C:2](=[O:3])[C:4]([N:5]1[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])([H:10])[H:11])([H:8])[H:9],[H:10][H:14].[N:1]([C:2]([O-:3])=[C:4]([N+:5]1=[C:7]([H:15])[C:6]1([H:12])[H:13])[H:11])([H:8])[H:9],"InChI=1S/C4H8N2O/c5-4(7)3-6-1-2-6/h1-3H2,(H2,5,7)","InChI=1S/C4H6N2O.H2/c5-4(7)3-6-1-2-6;/h1,3H,2,5H2;1H",67.44763,55.39512,
14225,[N:1]([C:2](=[O:3])[C:4]([N:5]1[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])([H:10])[H:11])([H:8])[H:9],[N:1]([C@@:2]1([H:10])[O:3][C@@:4]1([N:5]1[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])[H:11])([H:8])[H:9],"InChI=1S/C4H8N2O/c5-4(7)3-6-1-2-6/h1-3H2,(H2,5,7)","InChI=1S/C4H8N2O/c5-3-4(7-3)6-1-2-6/h3-4H,1-2,5H2/t3-,4-/m0/s1",79.03697,39.16811,
14226,[N:1]([C:2](=[O:3])[C:4]([N:5]1[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])([H:10])[H:11])([H:8])[H:9],[N:1]([C:2](=[O:3])[C:4]([N+:5]([C-:6]([H:12])[H:13])=[C:7]([H:14])[H:15])([H:10])[H:11])([H:8])[H:9],"InChI=1S/C4H8N2O/c5-4(7)3-6-1-2-6/h1-3H2,(H2,5,7)","InChI=1S/C4H8N2O/c1-6(2)3-4(5)7/h1-3H2,(H2,5,7)",40.137209999999996,18.87353,
14227,[N:1]([C:2](=[O:3])[C:4]([N:5]1[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])([H:10])[H:11])([H:8])[H:9],[N:1]([C@:2]1([C:4]([N:5]=[C:6]([H:12])[H:13])([H:10])[H:11])[O:3][C:7]1([H:14])[H:15])([H:8])[H:9],"InChI=1S/C4H8N2O/c5-4(7)3-6-1-2-6/h1-3H2,(H2,5,7)","InChI=1S/C4H8N2O/c1-6-2-4(5)3-7-4/h1-3,5H2/t4-/m1/s1",77.48038000000001,25.73676,
14228,[N:1]([C:2](=[O:3])[C:4]([N:5]1[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])([H:10])[H:11])([H:8])[H:9],[N:1](=[C:2](/[O:3][H:9])[C:4]([N:5]1[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])([H:10])[H:11])\[H:8],"InChI=1S/C4H8N2O/c5-4(7)3-6-1-2-6/h1-3H2,(H2,5,7)","InChI=1S/C4H8N2O/c5-4(7)3-6-1-2-6/h1-3H2,(H2,5,7)",42.21229,10.21899,ketoenol
14229,[N:1]([C:2](=[O:3])[C:4]([N:5]1[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])([H:10])[H:11])([H:8])[H:9],[N:1]([C:2]([O:3][H:12])=[C:4]([H:10])[H:11])([H:8])[H:9].[N:5]1=[C:6]([H:13])[C:7]1([H:14])[H:15],"InChI=1S/C4H8N2O/c5-4(7)3-6-1-2-6/h1-3H2,(H2,5,7)","InChI=1S/C2H5NO.C2H3N/c1-2(3)4;1-2-3-1/h4H,1,3H2;1H,2H2",61.63077,44.76679,Retroene
14230,[N:1]([C:2](=[O:3])[C:4]([N:5]1[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])([H:10])[H:11])([H:8])[H:9],[N:1]([C:2]([O:3][C:7]([N:5]=[C:6]([H:12])[H:13])([H:14])[H:15])=[C:4]([H:10])[H:11])([H:8])[H:9],"InChI=1S/C4H8N2O/c5-4(7)3-6-1-2-6/h1-3H2,(H2,5,7)","InChI=1S/C4H8N2O/c1-4(5)7-3-6-2/h1-3,5H2",67.16924,16.77733,
14231,[N:1]([C:2](=[O:3])[C:4]([N:5]1[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])([H:10])[H:11])([H:8])[H:9],[H:9][H:10].[N:1](=[C:2]1\[O:3][C@:4]1([N:5]1[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])[H:11])\[H:8],"InChI=1S/C4H8N2O/c5-4(7)3-6-1-2-6/h1-3H2,(H2,5,7)","InChI=1S/C4H6N2O.H2/c5-3-4(7-3)6-1-2-6;/h4-5H,1-2H2;1H/b5-3-;/t4-;/m1./s1",71.98294,58.28229,
14232,[N:1]([C:2](=[O:3])[C:4]([N:5]1[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])([H:10])[H:11])([H:8])[H:9],[C:2](=[O:3])=[C:4]([N:5]1[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])[H:11].[N:1]([H:8])([H:9])[H:10],"InChI=1S/C4H8N2O/c5-4(7)3-6-1-2-6/h1-3H2,(H2,5,7)","InChI=1S/C4H5NO.H3N/c6-4-3-5-1-2-5;/h3H,1-2H2;1H3",68.56812,41.71649,"1,3_NH3_elimination"
14233,[N:1]([C:2](=[O:3])[C:4]([N:5]1[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])([H:10])[H:11])([H:8])[H:9],[C:2]1(=[O:3])[C:4]([H:10])([H:11])[N:5]2[C:6]([H:12])([H:13])[C@:7]12[H:15].[N:1]([H:8])([H:9])[H:14],"InChI=1S/C4H8N2O/c5-4(7)3-6-1-2-6/h1-3H2,(H2,5,7)","InChI=1S/C4H5NO.H3N/c6-4-2-5-1-3(4)5;/h3H,1-2H2;1H3/t3-,5?;/m1./s1",81.49685,36.20008,
14234,[N:1]([C:2](=[O:3])[C:4]([N:5]1[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])([H:10])[H:11])([H:8])[H:9],[N:1]([C-:2]=[O+:3][C:4]([N:5]1[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])([H:10])[H:11])([H:8])[H:9],"InChI=1S/C4H8N2O/c5-4(7)3-6-1-2-6/h1-3H2,(H2,5,7)","InChI=1S/C4H8N2O/c5-3-7-4-6-1-2-6/h1-2,4-5H2",96.78165,54.2535,
14235,[N:1]([C:2](=[O:3])[C:4]([N:5]1[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])([H:10])[H:11])([H:8])[H:9],[N:1]([C:2](=[O:3])[C:4]([C:7]([N:5]=[C:6]([H:12])[H:13])([H:14])[H:15])([H:10])[H:11])([H:8])[H:9],"InChI=1S/C4H8N2O/c5-4(7)3-6-1-2-6/h1-3H2,(H2,5,7)","InChI=1S/C4H8N2O/c1-6-3-2-4(5)7/h1-3H2,(H2,5,7)",84.72015999999999,-15.150079999999999,
14236,[N:1]([C:2](=[O:3])[C:4]([N:5]1[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])([H:10])[H:11])([H:8])[H:9],[H:9][H:14].[N:1]1([H:8])[C:2](=[O:3])[C:4]([H:10])([H:11])[N:5]2[C:6]([H:12])([H:13])[C@:7]12[H:15],"InChI=1S/C4H8N2O/c5-4(7)3-6-1-2-6/h1-3H2,(H2,5,7)","InChI=1S/C4H6N2O.H2/c7-4-2-6-1-3(6)5-4;/h3H,1-2H2,(H,5,7);1H/t3-,6?;/m1./s1",78.28795,20.010089999999998,
14237,[N:1]([C:2](=[O:3])[C:4]([N:5]1[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])([H:10])[H:11])([H:8])[H:9],[C:4]([N+:5]1([H:9])[C:6]([H:12])([H:13])[C-:7]1[H:15])([H:10])([H:11])[H:14].[N:1](=[C:2]=[O:3])[H:8],"InChI=1S/C4H8N2O/c5-4(7)3-6-1-2-6/h1-3H2,(H2,5,7)","InChI=1S/C3H7N.CHNO/c1-4-2-3-4;2-1-3/h2,4H,3H2,1H3;2H",122.30232,66.2789,
14238,[N:1]([C:2](=[O:3])[C:4]([N:5]1[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])([H:10])[H:11])([H:8])[H:9],[N:1]([C@@:2]1([H:12])[C:4]([H:10])([H:11])[N:5]1[C:7]([C:6](=[O:3])[H:13])([H:14])[H:15])([H:8])[H:9],"InChI=1S/C4H8N2O/c5-4(7)3-6-1-2-6/h1-3H2,(H2,5,7)","InChI=1S/C4H8N2O/c5-4-3-6(4)1-2-7/h2,4H,1,3,5H2/t4-,6?/m1/s1",98.90550999999999,25.120720000000002,
14239,[N:1]([C:2](=[O:3])[C:4]([N:5]1[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])([H:10])[H:11])([H:8])[H:9],[H:13][H:15].[N:1]([C:2](=[O:3])[C:4]([N:5]1[C:6]([H:12])=[C:7]1[H:14])([H:10])[H:11])([H:8])[H:9],"InChI=1S/C4H8N2O/c5-4(7)3-6-1-2-6/h1-3H2,(H2,5,7)","InChI=1S/C4H6N2O.H2/c5-4(7)3-6-1-2-6;/h1-2H,3H2,(H2,5,7);1H",106.64408999999999,74.15145,
14240,[N:1]([C:2](=[O:3])[C:4]([N:5]1[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])([H:10])[H:11])([H:8])[H:9],[C:4]([N:5]1[C:6]([H:13])[C:7]1([H:14])[H:15])([H:10])([H:11])[H:12].[N:1]([C:2]=[O:3])([H:8])[H:9],"InChI=1S/C4H8N2O/c5-4(7)3-6-1-2-6/h1-3H2,(H2,5,7)","InChI=1S/C3H6N.CH2NO/c1-4-2-3-4;2-1-3/h2H,3H2,1H3;(H2,2,3)",108.72658,94.10153000000001,
14241,[O:1]([C:2]([C:3]1([C:4]([O:5][H:13])([H:11])[H:12])[C:6]([H:14])([H:15])[O:7]1)([H:9])[H:10])[H:8],[O:1]([C:2]([C:3]([C:4]([O:5][H:13])([H:11])[H:12])([O+:7]=[C-:6][H:15])[H:14])([H:9])[H:10])[H:8],"InChI=1S/C4H8O3/c5-1-4(2-6)3-7-4/h5-6H,1-3H2","InChI=1S/C4H8O3/c1-7-4(2-5)3-6/h1,4-6H,2-3H2",77.59145,51.0005,
14242,[O:1]([C:2]([C:3]1([C:4]([O:5][H:13])([H:11])[H:12])[C:6]([H:14])([H:15])[O:7]1)([H:9])[H:10])[H:8],[O:1]=[C:2]([C:3]([C:4]([O:5][H:13])([H:11])[H:12])([C:6]([O:7][H:8])([H:14])[H:15])[H:9])[H:10],"InChI=1S/C4H8O3/c5-1-4(2-6)3-7-4/h5-6H,1-3H2","InChI=1S/C4H8O3/c5-1-4(2-6)3-7/h1,4,6-7H,2-3H2",40.11208,-18.4693,
14243,[O:1]([C:2]([C:3]1([C:4]([O:5][H:13])([H:11])[H:12])[C:6]([H:14])([H:15])[O:7]1)([H:9])[H:10])[H:8],[C:2]([C@:3]1([C:4]([O:5][H:13])([H:11])[H:12])[C:6]([H:14])([H:15])[O:7]1)[H:9].[O:1]([H:8])[H:10],"InChI=1S/C4H8O3/c5-1-4(2-6)3-7-4/h5-6H,1-3H2","InChI=1S/C4H6O2.H2O/c1-4(2-5)3-6-4;/h1,5H,2-3H2;1H2/t4-;/m0./s1",76.75961,90.36865999999999,
14244,[O:1]([C:2]([C:3]1([C:4]([O:5][H:13])([H:11])[H:12])[C:6]([H:14])([H:15])[O:7]1)([H:9])[H:10])[H:8],[O:1]([C:2]([C:3][C:6]([O:7][C:4]([O:5][H:13])([H:11])[H:12])([H:14])[H:15])([H:9])[H:10])[H:8],"InChI=1S/C4H8O3/c5-1-4(2-6)3-7-4/h5-6H,1-3H2","InChI=1S/C4H8O3/c5-2-1-3-7-4-6/h5-6H,2-4H2",90.21231999999999,73.49091999999999,
14245,[O:1]([C:2]([C:3]1([C:4]([O:5][H:13])([H:11])[H:12])[C:6]([H:14])([H:15])[O:7]1)([H:9])[H:10])[H:8],[O:1]([C:2]([C:3]([C:4]([O:5][H:13])([H:11])[H:12])([C:6][H:15])[O:7][H:14])([H:9])[H:10])[H:8],"InChI=1S/C4H8O3/c5-1-4(2-6)3-7-4/h5-6H,1-3H2","InChI=1S/C4H8O3/c1-4(7,2-5)3-6/h1,5-7H,2-3H2",73.8349,71.059,
14246,[O:1]([C:2]([C:3]1([C:4]([O:5][H:13])([H:11])[H:12])[C:6]([H:14])([H:15])[O:7]1)([H:9])[H:10])[H:8],[O:1]1[C:2]([H:9])([H:10])[C:3]([C:4]([O:5][H:13])([H:11])[H:12])([O:7][H:8])[C:6]1([H:14])[H:15],"InChI=1S/C4H8O3/c5-1-4(2-6)3-7-4/h5-6H,1-3H2","InChI=1S/C4H8O3/c5-1-4(6)2-7-3-4/h5-6H,1-3H2",58.42646,1.73816,
14247,[O:1]([C:2]([C:3]1([C:4]([O:5][H:13])([H:11])[H:12])[C:6]([H:14])([H:15])[O:7]1)([H:9])[H:10])[H:8],[H:12][H:13].[O:1]([C:2]([C@:3]1([C:4](=[O:5])[H:11])[C:6]([H:14])([H:15])[O:7]1)([H:9])[H:10])[H:8],"InChI=1S/C4H8O3/c5-1-4(2-6)3-7-4/h5-6H,1-3H2","InChI=1S/C4H6O3.H2/c5-1-4(2-6)3-7-4;/h1,6H,2-3H2;1H/t4-;/m1./s1",83.84646,23.82895,
14248,[O:1]([C:2]([C:3]1([C:4]([O:5][H:13])([H:11])[H:12])[C:6]([H:14])([H:15])[O:7]1)([H:9])[H:10])[H:8],[O:1]([C:2]([C-:3]=[O+:7][C:6]([C:4]([O:5][H:13])([H:11])[H:12])([H:14])[H:15])([H:9])[H:10])[H:8],"InChI=1S/C4H8O3/c5-1-4(2-6)3-7-4/h5-6H,1-3H2","InChI=1S/C4H8O3/c5-1-3-7-4-2-6/h5-6H,1-3H2",91.99248,38.66899,
14249,[O:1]([C:2]([C:3]1([C:4]([O:5][H:13])([H:11])[H:12])[C:6]([H:14])([H:15])[O:7]1)([H:9])[H:10])[H:8],[O:1]([C:6]([O:7][C:3](=[C:2]([H:9])[H:10])[C:4]([O:5][H:13])([H:11])[H:12])([H:14])[H:15])[H:8],"InChI=1S/C4H8O3/c5-1-4(2-6)3-7-4/h5-6H,1-3H2","InChI=1S/C4H8O3/c1-4(2-5)7-3-6/h5-6H,1-3H2",67.65085,-7.81045,
14250,[O:1]([C:2]([C:3]1([C:4]([O:5][H:13])([H:11])[H:12])[C:6]([H:14])([H:15])[O:7]1)([H:9])[H:10])[H:8],[C:3]([C:4]([O:5][H:13])([H:11])[H:12])(=[C+:6][H:14])[O-:7].[O:1]([C:2]([H:9])([H:10])[H:15])[H:8],"InChI=1S/C4H8O3/c5-1-4(2-6)3-7-4/h5-6H,1-3H2","InChI=1S/C3H4O2.CH4O/c1-3(5)2-4;1-2/h1,4H,2H2;2H,1H3",114.22063999999999,73.18065,
14251,[O:1]([C:2]([C:3]1([C:4]([O:5][H:13])([H:11])[H:12])[C:6]([H:14])([H:15])[O:7]1)([H:9])[H:10])[H:8],[C:3]1(=[C:4](/[O:5][H:13])[H:11])\[C:6]([H:14])([H:15])[O:7]1.[H:8][H:12].[O:1]=[C:2]([H:9])[H:10],"InChI=1S/C4H8O3/c5-1-4(2-6)3-7-4/h5-6H,1-3H2","InChI=1S/C3H4O2.CH2O.H2/c4-1-3-2-5-3;1-2;/h1,4H,2H2;1H2;1H/b3-1-;;",69.97691999999999,57.54413,
14252,[O:1]([C:2]([C:3]1([C:4]([O:5][H:13])([H:11])[H:12])[C:6]([H:14])([H:15])[O:7]1)([H:9])[H:10])[H:8],[H:14][H:15].[O:1]([C:2]([C:3]1([C:4]([O:5][H:13])([H:11])[H:12])[C-:6]=[O+:7]1)([H:9])[H:10])[H:8],"InChI=1S/C4H8O3/c5-1-4(2-6)3-7-4/h5-6H,1-3H2","InChI=1S/C4H6O3.H2/c5-1-4(2-6)3-7-4;/h5-6H,1-2H2;1H",84.53869,70.8695,
14253,[C:1]([C:2]([C@@:3]([C:4]([H:13])([H:14])[H:15])([O:5][H:16])[C:6]#[C:7][H:17])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([C:4]([H:13])([H:14])[H:15])=[C:6]=[C:7]([O:5][H:16])[H:17])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-6(3,7)5-2/h1,7H,5H2,2-3H3/t6-/m0/s1","InChI=1S/C6H10O/c1-3-6(2)4-5-7/h5,7H,3H2,1-2H3",54.90811,-6.020580000000001,
14254,[C:1]([C:2]([C@@:3]([C:4]([H:13])([H:14])[H:15])([O:5][H:16])[C:6]#[C:7][H:17])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](=[C:2]([H:11])[H:12])([H:8])[H:10].[C:3]([C:4]([H:13])([H:14])[H:15])([O:5][H:16])=[C:6]=[C:7]([H:9])[H:17],"InChI=1S/C6H10O/c1-4-6(3,7)5-2/h1,7H,5H2,2-3H3/t6-/m0/s1","InChI=1S/C4H6O.C2H4/c1-3-4(2)5;1-2/h5H,1H2,2H3;1-2H2",38.924409999999995,14.95551,Retroene
14255,[C:1]([C:2]([C@@:3]([C:4]([H:13])([H:14])[H:15])([O:5][H:16])[C:6]#[C:7][H:17])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:7](=[C:6]=[C:3]([C:4]([H:13])([H:14])[H:15])[O:5][H:16])[H:17])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-6(3,7)5-2/h1,7H,5H2,2-3H3/t6-/m0/s1","InChI=1S/C6H10O/c1-3-4-5-6(2)7/h4,7H,3H2,1-2H3",80.24385,-10.19882,
14256,[C:1]([C:2]([C@@:3]([C:4]([H:13])([H:14])[H:15])([O:5][H:16])[C:6]#[C:7][H:17])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:3]([C:4]([H:13])([H:14])[H:15])([O:5][H:16])[C:7](=[C:6])[H:17])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-6(3,7)5-2/h1,7H,5H2,2-3H3/t6-/m0/s1","InChI=1S/C6H10O/c1-4-6(3,7)5-2/h5,7H,4H2,1,3H3/t6-/m1/s1",59.640069999999994,49.18308,Singlet_Carbene_Intra_Disproportionation
14257,[C:1]([C:2]([C@@:3]([C:4]([H:13])([H:14])[H:15])([O:5][H:16])[C:6]#[C:7][H:17])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([O:5][H:16])=[C:6]=[C:7]([C:4]([H:13])([H:14])[H:15])[H:17])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-6(3,7)5-2/h1,7H,5H2,2-3H3/t6-/m0/s1","InChI=1S/C6H10O/c1-3-5-6(7)4-2/h3,7H,4H2,1-2H3",68.61431,-10.34458,
14258,[C:1]([C:2]([C@@:3]([C:4]([H:13])([H:14])[H:15])([O:5][H:16])[C:6]#[C:7][H:17])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]1([H:8])([H:10])[C:2]([H:11])([H:12])[C@@:3]([C:4]([H:13])([H:14])[H:15])([O:5][H:16])[C:6]1=[C:7]([H:9])[H:17],"InChI=1S/C6H10O/c1-4-6(3,7)5-2/h1,7H,5H2,2-3H3/t6-/m0/s1","InChI=1S/C6H10O/c1-5-3-4-6(5,2)7/h7H,1,3-4H2,2H3/t6-/m1/s1",77.17838,-10.84329,
14259,[C:1]([C:2]([C@@:3]([C:4]([H:13])([H:14])[H:15])([O:5][H:16])[C:6]#[C:7][H:17])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]1([H:8])([H:10])[C:2]([H:11])([H:12])[C@@:3]([C:4]([H:13])([H:14])[H:15])([O:5][H:16])[C:6][C:7]1([H:9])[H:17],"InChI=1S/C6H10O/c1-4-6(3,7)5-2/h1,7H,5H2,2-3H3/t6-/m0/s1","InChI=1S/C6H10O/c1-6(7)4-2-3-5-6/h7H,2-4H2,1H3/t6-/m1/s1",67.00967,41.802859999999995,
14260,[C:1]([C:2]([C@@:3]([C:4]([H:13])([H:14])[H:15])([O:5][H:16])[C:6]#[C:7][H:17])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2](/[C:3]([O:5][H:16])=[C:6](\[C:4]([H:13])([H:14])[H:15])[C:7][H:17])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-6(3,7)5-2/h1,7H,5H2,2-3H3/t6-/m0/s1","InChI=1S/C6H10O/c1-4-6(7)5(2)3/h2,7H,4H2,1,3H3/b6-5+",66.3387,38.797670000000004,
14261,[C:1]([C:2]([C@@:3]([C:4]([H:13])([H:14])[H:15])([O:5][H:16])[C:6]#[C:7][H:17])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([C:4]([C:6]#[C:7][H:17])([H:13])[H:14])=[O:5])([H:11])[H:12])([H:8])([H:9])[H:10].[H:15][H:16],"InChI=1S/C6H10O/c1-4-6(3,7)5-2/h1,7H,5H2,2-3H3/t6-/m0/s1","InChI=1S/C6H8O.H2/c1-3-5-6(7)4-2;/h1H,4-5H2,2H3;1H",87.63741,15.90095,
14262,[C:1]([C:2]([C@@:3]([C:4]([H:13])([H:14])[H:15])([O:5][H:16])[C:6]#[C:7][H:17])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C@@:2]([C:3](=[C:4]([H:13])[H:14])[O:5][H:16])([C:6]#[C:7][H:17])[H:12])([H:8])([H:9])[H:10].[H:11][H:15],"InChI=1S/C6H10O/c1-4-6(3,7)5-2/h1,7H,5H2,2-3H3/t6-/m0/s1","InChI=1S/C6H8O.H2/c1-4-5(2)6(3)7;/h1,5,7H,3H2,2H3;1H/t5-;/m1./s1",104.68571999999999,26.06393,
14263,[C:1]([C:2]([C@@:3]([C:4]([H:13])([H:14])[H:15])([O:5][H:16])[C:6]#[C:7][H:17])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:3]1([C:4]([H:13])([H:14])[H:15])[C:6]([O:5][H:16])=[C:7]1[H:17])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-6(3,7)5-2/h1,7H,5H2,2-3H3/t6-/m0/s1","InChI=1S/C6H10O/c1-3-6(2)4-5(6)7/h4,7H,3H2,1-2H3/t6-/m1/s1",63.63236,10.84793,
14264,[C:1]([C@@:2]([O:3][H:11])([C:4]([O:5][H:14])([H:12])[H:13])[C:6]#[C:7][H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([C:6]#[C:7][H:15])[O:3][C:4]1([H:12])[H:13])([H:8])([H:9])[H:10].[O:5]([H:11])[H:14],"InChI=1S/C5H8O2/c1-3-5(2,7)4-6/h1,6-7H,4H2,2H3/t5-/m0/s1","InChI=1S/C5H6O.H2O/c1-3-5(2)4-6-5;/h1H,4H2,2H3;1H2/t5-;/m0./s1",60.14657,26.53077,
14265,[C:1]([C@@:2]([O:3][H:11])([C:4]([O:5][H:14])([H:12])[H:13])[C:6]#[C:7][H:15])([H:8])([H:9])[H:10],[C:1]([C:2]([O:3][H:11])=[C:4]([H:12])[H:13])([H:8])([H:9])[H:10].[O:5]([C:6]#[C:7][H:15])[H:14],"InChI=1S/C5H8O2/c1-3-5(2,7)4-6/h1,6-7H,4H2,2H3/t5-/m0/s1","InChI=1S/C3H6O.C2H2O/c1-3(2)4;1-2-3/h4H,1H2,2H3;1,3H",67.64741,21.65989,
14266,[C:1]([C@@:2]([O:3][H:11])([C:4]([O:5][H:14])([H:12])[H:13])[C:6]#[C:7][H:15])([H:8])([H:9])[H:10],[C:1]1([H:8])([H:9])[C@@:2]([O:3][H:11])([C:4]([O:5][H:14])([H:12])[H:13])[C:6][C:7]1([H:10])[H:15],"InChI=1S/C5H8O2/c1-3-5(2,7)4-6/h1,6-7H,4H2,2H3/t5-/m0/s1","InChI=1S/C5H8O2/c6-4-5(7)2-1-3-5/h6-7H,1-2,4H2/t5-/m0/s1",89.35902,64.61336999999999,
14267,[C:1]([C@@:2]([O:3][H:11])([C:4]([O:5][H:14])([H:12])[H:13])[C:6]#[C:7][H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([O:3][H:11])[C@@:4]([O:5][H:14])([H:13])[C:6]1=[C:7]([H:12])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-3-5(2,7)4-6/h1,6-7H,4H2,2H3/t5-/m0/s1","InChI=1S/C5H8O2/c1-3-4(6)5(3,2)7/h4,6-7H,1H2,2H3/t4-,5+/m1/s1",63.84109,2.51474,
14268,[C:1]([C@@:2]([O:3][H:11])([C:4]([O:5][H:14])([H:12])[H:13])[C:6]#[C:7][H:15])([H:8])([H:9])[H:10],[C:1]1([H:8])([H:9])[C@@:2]([O:3][H:11])([C:4]([O:5][H:14])([H:12])[H:13])[C:6]1=[C:7]([H:10])[H:15],"InChI=1S/C5H8O2/c1-3-5(2,7)4-6/h1,6-7H,4H2,2H3/t5-/m0/s1","InChI=1S/C5H8O2/c1-4-2-5(4,7)3-6/h6-7H,1-3H2/t5-/m1/s1",95.48151999999999,3.0765599999999997,
14269,[C:1]([C@@:2]([O:3][H:11])([C:4]([O:5][H:14])([H:12])[H:13])[C:6]#[C:7][H:15])([H:8])([H:9])[H:10],[C:1](=[C:2]([C:4]([O:5][H:14])([H:12])[H:13])[C:6]#[C:7][H:15])([H:8])[H:9].[O:3]([H:10])[H:11],"InChI=1S/C5H8O2/c1-3-5(2,7)4-6/h1,6-7H,4H2,2H3/t5-/m0/s1","InChI=1S/C5H6O.H2O/c1-3-5(2)4-6;/h1,6H,2,4H2;1H2",59.69356,14.538870000000001,"1,3_Insertion_ROR"
14270,[C:1]([C@@:2]([O:3][H:11])([C:4]([O:5][H:14])([H:12])[H:13])[C:6]#[C:7][H:15])([H:8])([H:9])[H:10],[C:1]([C:4]([C:2](=[O:3])[C:6]#[C:7][H:15])([H:12])[H:13])([H:8])([H:9])[H:10].[O:5]([H:11])[H:14],"InChI=1S/C5H8O2/c1-3-5(2,7)4-6/h1,6-7H,4H2,2H3/t5-/m0/s1","InChI=1S/C5H6O.H2O/c1-3-5(6)4-2;/h1H,4H2,2H3;1H2",62.33218000000001,2.28325,
14271,[C:1]([C@@:2]([O:3][H:11])([C:4]([O:5][H:14])([H:12])[H:13])[C:6]#[C:7][H:15])([H:8])([H:9])[H:10],[C:1]([C:2]([C:4]([O:5][H:14])([H:12])[H:13])=[C:6]=[C:7]([O:3][H:11])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-3-5(2,7)4-6/h1,6-7H,4H2,2H3/t5-/m0/s1","InChI=1S/C5H8O2/c1-5(4-7)2-3-6/h3,6-7H,4H2,1H3",53.803540000000005,-6.86597,
14272,[C:1]([C@@:2]([O:3][H:11])([C:4]([O:5][H:14])([H:12])[H:13])[C:6]#[C:7][H:15])([H:8])([H:9])[H:10],[C:1]1([H:8])([H:9])[C@@:2]([O:3][H:11])([C:4]([O:5][H:14])([H:12])[H:13])[C@:6]1([C:7][H:15])[H:10],"InChI=1S/C5H8O2/c1-3-5(2,7)4-6/h1,6-7H,4H2,2H3/t5-/m0/s1","InChI=1S/C5H8O2/c1-4-2-5(4,7)3-6/h1,4,6-7H,2-3H2/t4-,5+/m0/s1",82.96370999999999,55.96572,
14273,[C:1]([C@@:2]([O:3][H:11])([C:4]([O:5][H:14])([H:12])[H:13])[C:6]#[C:7][H:15])([H:8])([H:9])[H:10],[C:1]([C:2](=[O:3])[C:4]([O:5][H:11])([H:12])[H:13])([H:8])([H:9])[H:10].[C:6](#[C:7][H:15])[H:14],"InChI=1S/C5H8O2/c1-3-5(2,7)4-6/h1,6-7H,4H2,2H3/t5-/m0/s1","InChI=1S/C3H6O2.C2H2/c1-3(5)2-4;1-2/h4H,2H2,1H3;1-2H",43.77623,11.68122,
14274,[C:1]([C@@:2]([O:3][H:11])([C:4]([O:5][H:14])([H:12])[H:13])[C:6]#[C:7][H:15])([H:8])([H:9])[H:10],[C:1]([C@:2]1([C:4]([O:5][H:14])([H:12])[H:13])[C:6]([O:3][H:11])=[C:7]1[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-3-5(2,7)4-6/h1,6-7H,4H2,2H3/t5-/m0/s1","InChI=1S/C5H8O2/c1-5(3-6)2-4(5)7/h2,6-7H,3H2,1H3/t5-/m0/s1",62.929840000000006,12.15948,
14275,[C:1]([C@@:2]([O:3][H:11])([C:4]([O:5][H:14])([H:12])[H:13])[C:6]#[C:7][H:15])([H:8])([H:9])[H:10],[C:1]([C:2]([O:3][H:11])=[C:6]=[C:7]([H:14])[H:15])([H:8])([H:9])[H:10].[C:4](=[O:5])([H:12])[H:13],"InChI=1S/C5H8O2/c1-3-5(2,7)4-6/h1,6-7H,4H2,2H3/t5-/m0/s1","InChI=1S/C4H6O.CH2O/c1-3-4(2)5;1-2/h5H,1H2,2H3;1H2",25.55405,11.05761,Retroene
14276,[C:1]([C@@:2]([O:3][H:11])([C:4]([O:5][H:14])([H:12])[H:13])[C:6]#[C:7][H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]([O:3][H:11])([C:4]([O:5][H:14])([H:12])[H:13])[C:7](=[C:6])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-3-5(2,7)4-6/h1,6-7H,4H2,2H3/t5-/m0/s1","InChI=1S/C5H8O2/c1-3-5(2,7)4-6/h3,6-7H,4H2,2H3/t5-/m0/s1",58.81904,50.809870000000004,Singlet_Carbene_Intra_Disproportionation
14277,[C:1]([C@@:2]([O:3][H:11])([C:4]([O:5][H:14])([H:12])[H:13])[C:6]#[C:7][H:15])([H:8])([H:9])[H:10],[C:1]([C@:2]([O:3][H:11])([C:6]#[C:7][H:15])[H:13])([H:8])([H:9])[H:10].[C:4]([O:5][H:14])[H:12],"InChI=1S/C5H8O2/c1-3-5(2,7)4-6/h1,6-7H,4H2,2H3/t5-/m0/s1","InChI=1S/C4H6O.CH2O/c1-3-4(2)5;1-2/h1,4-5H,2H3;1-2H/t4-;/m0./s1",68.54117,82.23814,
14278,[C:1]([C@@:2]([O:3][H:11])([C:4]([O:5][H:14])([H:12])[H:13])[C:6]#[C:7][H:15])([H:8])([H:9])[H:10],[C:1]([C:2]([O:3][H:11])=[C:6]=[C:7]([H:10])[H:15])([C:4]([O:5][H:14])([H:12])[H:13])([H:8])[H:9],"InChI=1S/C5H8O2/c1-3-5(2,7)4-6/h1,6-7H,4H2,2H3/t5-/m0/s1","InChI=1S/C5H8O2/c1-2-5(7)3-4-6/h6-7H,1,3-4H2",84.25539,-6.2369900000000005,
14279,[C:1]([c:2]1[c:3]([H:11])[n:4]([H:12])[c:5]([N:6]([H:13])[H:14])[c:7]1[H:15])([H:8])([H:9])[H:10],[C:1](=[C:2]1[C-:3]([H:11])[N:4]([H:12])[C+:5]([N:6]([H:13])[H:14])[C:7]1([H:10])[H:15])([H:8])[H:9],"InChI=1S/C5H8N2/c1-4-2-5(6)7-3-4/h2-3,7H,6H2,1H3","InChI=1S/C5H8N2/c1-4-2-5(6)7-3-4/h3,7H,1-2,6H2",91.51943,49.63458,
14280,[C:1]([c:2]1[c:3]([H:11])[n:4]([H:12])[c:5]([N:6]([H:13])[H:14])[c:7]1[H:15])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:7]([H:15])[C@@:5]1([N:4]([C:3][H:11])[H:12])[N:6]([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-4-2-5(6)7-3-4/h2-3,7H,6H2,1H3","InChI=1S/C5H8N2/c1-4-3-5(4,6)7-2/h2-3,7H,6H2,1H3/t5-/m0/s1",127.77416000000001,102.93861,
14281,[C:1]([c:2]1[c:3]([H:11])[n:4]([H:12])[c:5]([N:6]([H:13])[H:14])[c:7]1[H:15])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:3]([H:11])[N:4]([H:12])/[C:5](=[N:6]\[H:14])[C:7]1([H:13])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-4-2-5(6)7-3-4/h2-3,7H,6H2,1H3","InChI=1S/C5H8N2/c1-4-2-5(6)7-3-4/h3H,2H2,1H3,(H2,6,7)",66.39124,6.10197,
14282,[C:1]([c:2]1[c:3]([H:11])[n:4]([H:12])[c:5]([N:6]([H:13])[H:14])[c:7]1[H:15])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:7]([H:15])[C@@:5]2([N:6]([H:13])[H:14])[C@:3]1([H:11])[N:4]2[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-4-2-5(6)7-3-4/h2-3,7H,6H2,1H3","InChI=1S/C5H8N2/c1-3-2-5(6)4(3)7-5/h2,4,7H,6H2,1H3/t4-,5+/m1/s1",80.85923000000001,68.44527,Intra_2+2_cycloaddition_Cd
14283,[C:1]([c:2]1[c:3]([H:11])[n:4]([H:12])[c:5]([N:6]([H:13])[H:14])[c:7]1[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:3]1([H:11])[C-:2]=[C:7]([H:15])[C+:5]([N:6]([H:13])[H:14])[N:4]1[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-4-2-5(6)7-3-4/h2-3,7H,6H2,1H3","InChI=1S/C5H8N2/c1-4-2-3-5(6)7-4/h3-4,7H,6H2,1H3/t4-/m0/s1",80.96162,56.54597,
14284,[C:1]([c:2]1[c:3]([H:11])[n:4]([H:12])[c:5]([N:6]([H:13])[H:14])[c:7]1[H:15])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:7]([H:15])[C:5](=[N:6][H:14])[N+:4]([H:12])([H:13])[C-:3]1[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-4-2-5(6)7-3-4/h2-3,7H,6H2,1H3","InChI=1S/C5H8N2/c1-4-2-5(6)7-3-4/h2-3,6H,7H2,1H3",65.91854000000001,43.09259,
14285,[C:1]([c:2]1[c:3]([H:11])[n:4]([H:12])[c:5]([N:6]([H:13])[H:14])[c:7]1[H:15])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C-:3][N+:4]([H:11])([H:12])[C:5]([N:6]([H:13])[H:14])=[C:7]1[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-4-2-5(6)7-3-4/h2-3,7H,6H2,1H3","InChI=1S/C5H8N2/c1-4-2-5(6)7-3-4/h2H,6-7H2,1H3",84.54448000000001,76.95158,
14286,[C:1]([c:2]1[c:3]([H:11])[n:4]([H:12])[c:5]([N:6]([H:13])[H:14])[c:7]1[H:15])([H:8])([H:9])[H:10],[C:1]([C:3](=[C:2]=[C:7]([C:5](=[N:4][H:12])[N:6]([H:13])[H:14])[H:15])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-4-2-5(6)7-3-4/h2-3,7H,6H2,1H3","InChI=1S/C5H8N2/c1-2-3-4-5(6)7/h2,4H,1H3,(H3,6,7)",92.98246,29.03963,
14287,[C:1]([c:2]1[c:3]([H:11])[n:4]([H:12])[c:5]([N:6]([H:13])[H:14])[c:7]1[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:5]1([N:6]([H:13])[H:14])[N:4]([H:12])[C:3]([H:11])=[C:2]=[C:7]1[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-4-2-5(6)7-3-4/h2-3,7H,6H2,1H3","InChI=1S/C5H8N2/c1-5(6)3-2-4-7-5/h3-4,7H,6H2,1H3/t5-/m1/s1",102.07209,70.92036,
14288,[C:1]([c:2]1[c:3]([H:11])[n:4]([H:12])[c:5]([N:6]([H:13])[H:14])[c:7]1[H:15])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:7]([H:15])[C@:5]([N:6]([H:13])[H:14])([H:12])[N:4]=[C:3]1[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-4-2-5(6)7-3-4/h2-3,7H,6H2,1H3","InChI=1S/C5H8N2/c1-4-2-5(6)7-3-4/h2-3,5H,6H2,1H3/t5-/m0/s1",44.17239,19.70557,
14289,[C:1]([c:2]1[c:3]([H:11])[n:4]([H:12])[c:5]([N:6]([H:13])[H:14])[c:7]1[H:15])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:7]([H:15])[C@:3]1([N:4]([C:5][N:6]([H:13])[H:14])[H:12])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-4-2-5(6)7-3-4/h2-3,7H,6H2,1H3","InChI=1S/C5H8N2/c1-4-2-5(4)7-3-6/h2,5,7H,6H2,1H3/t5-/m1/s1",116.6989,82.94611,
14290,[C:1]([c:2]1[c:3]([H:11])[n:4]([H:12])[c:5]([N:6]([H:13])[H:14])[c:7]1[H:15])([H:8])([H:9])[H:10],[C:1]([C:2](/[C:3](=[N:4]/[H:12])[H:11])=[C:7]=[C:5]([N:6]([H:13])[H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-4-2-5(6)7-3-4/h2-3,7H,6H2,1H3","InChI=1S/C5H8N2/c1-5(4-7)2-3-6/h3-4,7H,6H2,1H3/b7-4+",71.13636,40.23404,
14291,[C:1]([c:2]1[c:3]([H:11])[n:4]([H:12])[c:5]([N:6]([H:13])[H:14])[c:7]1[H:15])([H:8])([H:9])[H:10],[C:1](=[C:2]1[C:3]([H:10])([H:11])[N:4]([H:12])[C:5]([N:6]([H:13])[H:14])=[C:7]1[H:15])([H:8])[H:9],"InChI=1S/C5H8N2/c1-4-2-5(6)7-3-4/h2-3,7H,6H2,1H3","InChI=1S/C5H8N2/c1-4-2-5(6)7-3-4/h2,7H,1,3,6H2",81.04997,13.526689999999999,
14292,[C:1]([c:2]1[c:3]([H:11])[n:4]([H:12])[c:5]([N:6]([H:13])[H:14])[c:7]1[H:15])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:3]([H:11])[C@:7]1([C:5](=[N:4][H:12])[N:6]([H:13])[H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-4-2-5(6)7-3-4/h2-3,7H,6H2,1H3","InChI=1S/C5H8N2/c1-3-2-4(3)5(6)7/h2,4H,1H3,(H3,6,7)/t4-/m1/s1",83.28718,45.23314,
14293,[C:1]([c:2]1[c:3]([H:11])[n:4]([H:12])[c:5]([N:6]([H:13])[H:14])[c:7]1[H:15])([H:8])([H:9])[H:10],[C:1]([C@:7]1([H:15])[C-:2]=[C:3]([H:11])[N:4]([H:12])[C+:5]1[N:6]([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-4-2-5(6)7-3-4/h2-3,7H,6H2,1H3","InChI=1S/C5H8N2/c1-4-2-3-7-5(4)6/h3-4,7H,6H2,1H3/t4-/m1/s1",97.10153000000001,70.67912,
14294,[C:1]([c:2]1[c:3]([H:11])[n:4]([H:12])[c:5]([N:6]([H:13])[H:14])[c:7]1[H:15])([H:8])([H:9])[H:10],[C:1]([C@:2]1([H:11])[C:3][N:4]([H:12])[C:5]([N:6]([H:13])[H:14])=[C:7]1[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-4-2-5(6)7-3-4/h2-3,7H,6H2,1H3","InChI=1S/C5H8N2/c1-4-2-5(6)7-3-4/h2,4,7H,6H2,1H3/t4-/m0/s1",58.479169999999996,55.27989,Singlet_Carbene_Intra_Disproportionation
14295,[C:1]([c:2]1[c:3]([H:11])[n:4]([H:12])[c:5]([N:6]([H:13])[H:14])[c:7]1[H:15])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C-:7][C@:5]([N:6]([H:13])[H:14])([H:15])[N:4]([H:12])[C+:3]1[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-4-2-5(6)7-3-4/h2-3,7H,6H2,1H3","InChI=1S/C5H8N2/c1-4-2-5(6)7-3-4/h3,5,7H,6H2,1H3/t5-/m0/s1",71.16381,70.64009,Singlet_Carbene_Intra_Disproportionation
14296,[C:1]([c:2]1[c:3]([H:11])[n:4]([H:12])[c:5]([N:6]([H:13])[H:14])[c:7]1[H:15])([H:8])([H:9])[H:10],[C:1]([c:2]1[c:3]([H:11])[n:4][c-:5]([N+:6]([H:12])([H:13])[H:14])[c:7]1[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-4-2-5(6)7-3-4/h2-3,7H,6H2,1H3","InChI=1S/C5H8N2/c1-4-2-5(6)7-3-4/h2-3H,1,6H3",46.01948,39.59584,
14297,[C:1]([c:2]1[c:3]([H:11])[n:4]([H:12])[c:5]([N:6]([H:13])[H:14])[c:7]1[H:15])([H:8])([H:9])[H:10],[C:1]([C:7](=[C:2]=[C:3]([N:4]([C:5][N:6]([H:13])[H:14])[H:12])[H:11])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-4-2-5(6)7-3-4/h2-3,7H,6H2,1H3","InChI=1S/C5H8N2/c1-2-3-4-7-5-6/h2,4,7H,6H2,1H3",128.37894,67.66223000000001,
14298,[C:1]([c:2]1[c:3]([H:11])[n:4]([H:12])[c:5]([N:6]([H:13])[H:14])[c:7]1[H:15])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:3]([H:11])[N:4]([H:12])/[C:5]1=[C:7](\[N:6]([H:13])[H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-4-2-5(6)7-3-4/h2-3,7H,6H2,1H3","InChI=1S/C5H8N2/c1-4-3-7-5(4)2-6/h2-3,7H,6H2,1H3/b5-2-",151.59715,45.54361,
14299,[C:1]([c:2]1[c:3]([H:11])[n:4]([H:12])[c:5]([N:6]([H:13])[H:14])[c:7]1[H:15])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:7]([H:15])[C:5]([N:6]([H:13])[H:14])=[N:4][C:3]1([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-4-2-5(6)7-3-4/h2-3,7H,6H2,1H3","InChI=1S/C5H8N2/c1-4-2-5(6)7-3-4/h2H,3H2,1H3,(H2,6,7)",39.03365,2.1132,
14300,[C:1]([c:2]1[c:3]([H:11])[n:4]([H:12])[c:5]([N:6]([H:13])[H:14])[c:7]1[H:15])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:3]([H:11])[C:5]([N:4]([N:6]([H:13])[H:14])[H:12])=[C:7]1[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-4-2-5(6)7-3-4/h2-3,7H,6H2,1H3","InChI=1S/C5H8N2/c1-4-2-5(3-4)7-6/h2-3,7H,6H2,1H3",154.40386,97.83763,
14301,[C:1]([c:2]1[c:3]([H:11])[n:4]([H:12])[c:5]([N:6]([H:13])[H:14])[c:7]1[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:15])[C+:3]([H:11])[N:4]([H:12])[C:5]([N:6]([H:13])[H:14])=[C-:7]1)([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-4-2-5(6)7-3-4/h2-3,7H,6H2,1H3","InChI=1S/C5H8N2/c1-4-2-5(6)7-3-4/h3-4,7H,6H2,1H3/t4-/m1/s1",77.25929000000001,78.80984000000001,
14302,[C:1]([c:2]1[c:3]([H:11])[n:4]([H:12])[c:5]([N:6]([H:13])[H:14])[c:7]1[H:15])([H:8])([H:9])[H:10],[C:1](=[C:2]1[C+:3]([H:11])[N:4]([H:12])[C:5]([N:6]([H:13])[H:14])=[C-:7]1)([H:8])[H:9].[H:10][H:15],"InChI=1S/C5H8N2/c1-4-2-5(6)7-3-4/h2-3,7H,6H2,1H3","InChI=1S/C5H6N2.H2/c1-4-2-5(6)7-3-4;/h3,7H,1,6H2;1H",103.69204,101.57904,
14303,[C:1]([c:2]1[c:3]([H:11])[n:4]([H:12])[c:5]([N:6]([H:13])[H:14])[c:7]1[H:15])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:7]([H:15])/[C:5](=[N:6]\[H:13])[N:4]([H:12])[C:3]1([H:11])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-4-2-5(6)7-3-4/h2-3,7H,6H2,1H3","InChI=1S/C5H8N2/c1-4-2-5(6)7-3-4/h2H,3H2,1H3,(H2,6,7)",81.60724,3.87644,
14304,[C:1]([c:2]1[c:3]([H:11])[n:4]([H:12])[c:5]([N:6]([H:13])[H:14])[c:7]1[H:15])([H:8])([H:9])[H:10],[C:1]([C@:2]1(/[C:3](=[N:4]/[H:12])[H:11])[C:5]([N:6]([H:13])[H:14])=[C:7]1[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-4-2-5(6)7-3-4/h2-3,7H,6H2,1H3","InChI=1S/C5H8N2/c1-5(3-6)2-4(5)7/h2-3,6H,7H2,1H3/b6-3+/t5-/m0/s1",72.15046,56.063109999999995,
14305,[C:1]([c:2]1[c:3]([H:11])[n:4]([H:12])[c:5]([N:6]([H:13])[H:14])[c:7]1[H:15])([H:8])([H:9])[H:10],[C+:1]([c:2]1[c-:3][n:4]([H:12])[c:5]([N:6]([H:13])[H:14])[c:7]1[H:15])([H:8])[H:9].[H:10][H:11],"InChI=1S/C5H8N2/c1-4-2-5(6)7-3-4/h2-3,7H,6H2,1H3","InChI=1S/C5H6N2.H2/c1-4-2-5(6)7-3-4;/h2,7H,1,6H2;1H",97.648,77.14083000000001,
14306,[C:1]([c:2]1[c:3]([H:11])[n:4]([H:12])[c:5]([N:6]([H:13])[H:14])[c:7]1[H:15])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:7]=[C:5]([N:6]([H:13])[H:14])[N:4]([H:12])[C:3]1([H:11])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-4-2-5(6)7-3-4/h2-3,7H,6H2,1H3","InChI=1S/C5H8N2/c1-4-2-5(6)7-3-4/h7H,3,6H2,1H3",85.63303,46.73203,
14307,[C:1]([C:2]([C:3]([C:4](=[O:5])[C:6](=[O:7])[H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([O:7][C@@:6]1([H:15])[C:4](=[C:3]([H:13])[H:14])[O:5]1)([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-2-3-5(7)4-6/h4H,2-3H2,1H3","InChI=1S/C5H8O2/c1-3-6-5-4(2)7-5/h5H,2-3H2,1H3/t5-/m1/s1",74.67206999999999,38.427240000000005,
14308,[C:1]([C:2]([C:3]([C:4](=[O:5])[C:6](=[O:7])[H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([O:5][C:4](=[C:3]([H:13])[H:14])[C:6](=[O:7])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-2-3-5(7)4-6/h4H,2-3H2,1H3","InChI=1S/C5H8O2/c1-3-7-5(2)4-6/h4H,2-3H2,1H3",73.52176999999999,16.910529999999998,ketoenol
14309,[C:1]([C:2]([C:3]([C:4](=[O:5])[C:6](=[O:7])[H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C-:4]#[O+:5].[C-:6]#[O+:7].[C:1]([C:2]([C:3]([H:13])([H:14])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-2-3-5(7)4-6/h4H,2-3H2,1H3","InChI=1S/C3H8.2CO/c1-3-2;2*1-2/h3H2,1-2H3;;",63.200880000000005,-1.61391,
14310,[C:1]([C:2]([C:3]([C:4](=[O:5])[C:6](=[O:7])[H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C-:6]#[O+:7].[C:1]([C:2]([C:3]([C:4][O:5][H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-2-3-5(7)4-6/h4H,2-3H2,1H3","InChI=1S/C4H8O.CO/c1-2-3-4-5;1-2/h5H,2-3H2,1H3;",55.73174,56.44152,
14311,[C:1]([C:2]([C:3]([C:4](=[O:5])[C:6](=[O:7])[H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3](=[C:4]=[O:5])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10].[C:6](=[O:7])([H:14])[H:15],"InChI=1S/C5H8O2/c1-2-3-5(7)4-6/h4H,2-3H2,1H3","InChI=1S/C4H6O.CH2O/c1-2-3-4-5;1-2/h3H,2H2,1H3;1H2",62.791109999999996,26.445,
14312,[C:1]([C:2]([C:3]([C:4](=[O:5])[C:6](=[O:7])[H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([C:4](=[O:5])[O+:7]=[C-:6][H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-2-3-5(7)4-6/h4H,2-3H2,1H3","InChI=1S/C5H8O2/c1-3-4-5(6)7-2/h2H,3-4H2,1H3",60.55745,56.08107,
14313,[C:1]([C:2]([C:3]([C:4](=[O:5])[C:6](=[O:7])[H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2](/[C:3](=[C:4](\[O:5][C:6](=[O:7])[H:15])[H:14])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-2-3-5(7)4-6/h4H,2-3H2,1H3","InChI=1S/C5H8O2/c1-2-3-4-7-5-6/h3-5H,2H2,1H3/b4-3-",63.80301,1.97492,
14314,[C:1]([C:2]([C:3]([C:4](=[O:5])[C:6](=[O:7])[H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3](=[C:4]([O-:5])[C+:6]([O:7][H:14])[H:15])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-2-3-5(7)4-6/h4H,2-3H2,1H3","InChI=1S/C5H8O2/c1-2-3-5(7)4-6/h3-4,6H,2H2,1H3",50.238279999999996,40.032059999999994,
14315,[C:1]([C:2]([C:3]([C:4](=[O:5])[C:6](=[O:7])[H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C@:2]1([H:12])[C:3]([H:13])([H:14])[C:4](=[O:5])[C@@:6]1([O:7][H:11])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-2-3-5(7)4-6/h4H,2-3H2,1H3","InChI=1S/C5H8O2/c1-3-2-4(6)5(3)7/h3,5,7H,2H2,1H3/t3-,5-/m1/s1",59.9022,10.48352,
14316,[C:1]([C:2]([C:3]([C:4](=[O:5])[C:6](=[O:7])[H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:6](=[O:7])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10].[C:3](=[C:4]=[O:5])([H:13])[H:14],"InChI=1S/C5H8O2/c1-2-3-5(7)4-6/h4H,2-3H2,1H3","InChI=1S/C3H6O.C2H2O/c1-2-3-4;1-2-3/h3H,2H2,1H3;1H2",73.23080999999999,16.371579999999998,
14317,[C:1]([C:2]([C:3]([C:4](=[O:5])[C:6](=[O:7])[H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([C-:4]=[O+:5][C:6](=[O:7])[H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-2-3-5(7)4-6/h4H,2-3H2,1H3","InChI=1S/C5H8O2/c1-2-3-4-7-5-6/h5H,2-3H2,1H3",56.591640000000005,58.49717,
14318,[C:1]([C:2]([C:3]([C:4](=[O:5])[C:6](=[O:7])[H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]([H:13])[H:14])[H:12])([H:8])([H:9])[H:10].[C:4](=[O:5])=[C:6]([O:7][H:11])[H:15],"InChI=1S/C5H8O2/c1-2-3-5(7)4-6/h4H,2-3H2,1H3","InChI=1S/C3H6.C2H2O2/c1-3-2;3-1-2-4/h3H,1H2,2H3;1,3H",53.52907,39.68457,Retroene
14319,[C:1]([C:2]([C:3]([C:4](=[O:5])[C:6](=[O:7])[H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([C:4]([O-:5])=[C+:6][O:7][H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-2-3-5(7)4-6/h4H,2-3H2,1H3","InChI=1S/C5H8O2/c1-2-3-5(7)4-6/h2-3H2,1H3,(H-,6,7)",82.77398000000001,49.87676,
14320,[C:1]([C:2]([C:3]([C:4](=[O:5])[C:6](=[O:7])[H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](=[C:2]([H:11])[H:12])([H:9])[H:10].[C:3](=[C:4]([O:5][H:8])[C:6](=[O:7])[H:15])([H:13])[H:14],"InChI=1S/C5H8O2/c1-2-3-5(7)4-6/h4H,2-3H2,1H3","InChI=1S/C3H4O2.C2H4/c1-3(5)2-4;1-2/h2,5H,1H2;1-2H2",44.83651,29.42335,Retroene
14321,[C:1]([C:2]([C:3]([C:4](=[O:5])[C:6](=[O:7])[H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2](/[C:3](=[C:4](\[O:5][H:14])[C:6](=[O:7])[H:15])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-2-3-5(7)4-6/h4H,2-3H2,1H3","InChI=1S/C5H8O2/c1-2-3-5(7)4-6/h3-4,7H,2H2,1H3/b5-3-",66.70334,1.74308,ketoenol
14322,[C:1]([C:2]([C:3]([C:4](=[O:5])[C:6](=[O:7])[H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([C:4](=[O:5])[H:8])([H:13])[H:14])([H:11])[H:12])([C:6](=[O:7])[H:15])([H:9])[H:10],"InChI=1S/C5H8O2/c1-2-3-5(7)4-6/h4H,2-3H2,1H3","InChI=1S/C5H8O2/c6-4-2-1-3-5-7/h4-5H,1-3H2",88.93564,2.69444,
14323,[C:1]([C:2]([C:3]([C:4](=[O:5])[C:6](=[O:7])[H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([H:11])([H:12])[H:14])([H:8])([H:9])[H:10].[C:3](=[C:4]=[O:5])([C:6](=[O:7])[H:15])[H:13],"InChI=1S/C5H8O2/c1-2-3-5(7)4-6/h4H,2-3H2,1H3",InChI=1S/C3H2O2.C2H6/c4-2-1-3-5;1-2/h1-2H;1-2H3,74.40605,8.9278,
14324,[C:1]([C:2]([C:3]([C:4](=[O:5])[C:6](=[O:7])[H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([C:4](=[O:5])[H:14])([C:6](=[O:7])[H:15])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-2-3-5(7)4-6/h4H,2-3H2,1H3","InChI=1S/C5H8O2/c1-2-5(3-6)4-7/h3-5H,2H2,1H3",63.856640000000006,2.7803400000000003,
14325,[C:1]([C:2]([C:3]([C:4](=[O:5])[C:6](=[O:7])[H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]1([H:9])([H:10])[C:2]([H:11])([H:12])[C:3]([H:13])([H:14])[C:4]12[O:5][C@@:6]2([O:7][H:8])[H:15],"InChI=1S/C5H8O2/c1-2-3-5(7)4-6/h4H,2-3H2,1H3","InChI=1S/C5H8O2/c6-4-5(7-4)2-1-3-5/h4,6H,1-3H2/t4-/m0/s1",74.77646,28.595270000000003,
14326,[C:1]([C:2]([C:3]([C:4](=[O:5])[C:6](=[O:7])[H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:4](=[O:5])[C:6](=[O:7])[H:15])([H:8])([H:9])[H:10].[C:2](=[C:3]([H:13])[H:14])([H:11])[H:12],"InChI=1S/C5H8O2/c1-2-3-5(7)4-6/h4H,2-3H2,1H3","InChI=1S/C3H4O2.C2H4/c1-3(5)2-4;1-2/h2H,1H3;1-2H2",74.29214,23.13007,
14327,[C:1](/[C:2](=[N:3]\[H:11])[O:4][C:5]([C:6](=[O:7])[H:14])([H:12])[H:13])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:6]([H:14])[C:5]([H:12])([H:13])[O:4]1)([H:8])([H:9])[H:10].[N:3](=[O:7])[H:11],"InChI=1S/C4H7NO2/c1-4(5)7-3-2-6/h2,5H,3H2,1H3/b5-4+","InChI=1S/C4H6O.HNO/c1-4-2-3-5-4;1-2/h2H,3H2,1H3;1H",131.26558,94.56882,
14328,[C:1](/[C:2](=[N:3]\[H:11])[O:4][C:5]([C:6](=[O:7])[H:14])([H:12])[H:13])([H:8])([H:9])[H:10],[C:1]([C:2]([N:3]([C:5]([C:6](=[O:7])[H:14])([H:12])[H:13])[H:11])=[O:4])([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-4(5)7-3-2-6/h2,5H,3H2,1H3/b5-4+","InChI=1S/C4H7NO2/c1-4(7)5-2-3-6/h3H,2H2,1H3,(H,5,7)",39.534040000000005,-14.869829999999999,ketoenol
14329,[C:1](/[C:2](=[N:3]\[H:11])[O:4][C:5]([C:6](=[O:7])[H:14])([H:12])[H:13])([H:8])([H:9])[H:10],[C:1](=[C:2]([N:3]([H:9])[H:11])[O:4][C:5]([C:6](=[O:7])[H:14])([H:12])[H:13])([H:8])[H:10],"InChI=1S/C4H7NO2/c1-4(5)7-3-2-6/h2,5H,3H2,1H3/b5-4+","InChI=1S/C4H7NO2/c1-4(5)7-3-2-6/h2H,1,3,5H2",64.81246999999999,15.02644,
14330,[C:1](/[C:2](=[N:3]\[H:11])[O:4][C:5]([C:6](=[O:7])[H:14])([H:12])[H:13])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:11].[C:2](#[N:3])[O:4][C:5]([C:6](=[O:7])[H:14])([H:12])[H:13],"InChI=1S/C4H7NO2/c1-4(5)7-3-2-6/h2,5H,3H2,1H3/b5-4+","InChI=1S/C3H3NO2.CH4/c4-3-6-2-1-5;/h1H,2H2;1H4",98.05666,26.909509999999997,
14331,[C:1](/[C:2](=[N:3]\[H:11])[O:4][C:5]([C:6](=[O:7])[H:14])([H:12])[H:13])([H:8])([H:9])[H:10],[C:1]([C:2]([N:3]([C:6](=[O:7])[H:14])[H:11])=[O+:4][C-:5]([H:12])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-4(5)7-3-2-6/h2,5H,3H2,1H3/b5-4+","InChI=1S/C4H7NO2/c1-4(7-2)5-3-6/h3H,2H2,1H3,(H,5,6)",45.82546,48.320240000000005,
14332,[C:1](/[C:2](=[N:3]\[H:11])[O:4][C:5]([C:6](=[O:7])[H:14])([H:12])[H:13])([H:8])([H:9])[H:10],[C:1]([C:2]([N:3]([O:7][C:6](=[C:5]([H:12])[H:13])[H:14])[H:11])=[O:4])([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-4(5)7-3-2-6/h2,5H,3H2,1H3/b5-4+","InChI=1S/C4H7NO2/c1-3-7-5-4(2)6/h3H,1H2,2H3,(H,5,6)",53.19254,34.34197,
14333,[C:1](/[C:2](=[N:3]\[H:11])[O:4][C:5]([C:6](=[O:7])[H:14])([H:12])[H:13])([H:8])([H:9])[H:10],[C:1](=[C:2]=[N:3][H:11])([H:8])[H:10].[O:4]([C:5]([C:6](=[O:7])[H:14])([H:12])[H:13])[H:9],"InChI=1S/C4H7NO2/c1-4(5)7-3-2-6/h2,5H,3H2,1H3/b5-4+","InChI=1S/C2H3N.C2H4O2/c1-2-3;3-1-2-4/h3H,1H2;1,4H,2H2",70.76605,33.33886,
14334,[C:1](/[C:2](=[N:3]\[H:11])[O:4][C:5]([C:6](=[O:7])[H:14])([H:12])[H:13])([H:8])([H:9])[H:10],[C:1](/[C:2](=[N:3]\[H:11])[O:4][C:5]([C:6][O:7][H:14])([H:12])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-4(5)7-3-2-6/h2,5H,3H2,1H3/b5-4+","InChI=1S/C4H7NO2/c1-4(5)7-3-2-6/h5-6H,3H2,1H3/b5-4+",81.54204,55.18155,
14335,[C:1](/[C:2](=[N:3]\[H:11])[O:4][C:5]([C:6](=[O:7])[H:14])([H:12])[H:13])([H:8])([H:9])[H:10],[C:1](/[C:2](=[N:3]\[H:11])[O:7][C@:6]1([H:14])[O:4][C:5]1([H:12])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-4(5)7-3-2-6/h2,5H,3H2,1H3/b5-4+","InChI=1S/C4H7NO2/c1-3(5)7-4-2-6-4/h4-5H,2H2,1H3/b5-3+/t4-/m0/s1",62.234809999999996,24.33608,
14336,[C:1](/[C:2](=[N:3]\[H:11])[O:4][C:5]([C:6](=[O:7])[H:14])([H:12])[H:13])([H:8])([H:9])[H:10],[C:1]([C:2]#[N:3])([H:8])([H:9])[H:10].[C:6](=[O:7])([H:11])[H:14].[O:4]=[C:5]([H:12])[H:13],"InChI=1S/C4H7NO2/c1-4(5)7-3-2-6/h2,5H,3H2,1H3/b5-4+",InChI=1S/C2H3N.2CH2O/c1-2-3;2*1-2/h1H3;2*1H2,61.4188,33.931979999999996,
14337,[C:1](/[C:2](=[N:3]\[H:11])[O:4][C:5]([C:6](=[O:7])[H:14])([H:12])[H:13])([H:8])([H:9])[H:10],[C:1]([C:2]([N:3]([C:6]([C:5]([H:12])([H:13])[H:14])=[O:7])[H:11])=[O:4])([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-4(5)7-3-2-6/h2,5H,3H2,1H3/b5-4+","InChI=1S/C4H7NO2/c1-3(6)5-4(2)7/h1-2H3,(H,5,6,7)",59.41364,-35.45704,
14338,[C:1](/[C:2](=[N:3]\[H:11])[O:4][C:5]([C:6](=[O:7])[H:14])([H:12])[H:13])([H:8])([H:9])[H:10],[C-:6]#[O+:7].[C:1](/[C:2](=[N:3]\[H:11])[H:14])([H:8])([H:9])[H:10].[O:4]=[C:5]([H:12])[H:13],"InChI=1S/C4H7NO2/c1-4(5)7-3-2-6/h2,5H,3H2,1H3/b5-4+","InChI=1S/C2H5N.CH2O.CO/c1-2-3;2*1-2/h2-3H,1H3;1H2;/b3-2-;;",58.95255,23.13588,
14339,[C:1](/[C:2](=[N:3]\[H:11])[O:4][C:5]([C:6](=[O:7])[H:14])([H:12])[H:13])([H:8])([H:9])[H:10],[C:1]([C:2]([N:3]([C@:6]1([H:14])[C:5]([H:12])([H:13])[O:7]1)[H:11])=[O:4])([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-4(5)7-3-2-6/h2,5H,3H2,1H3/b5-4+","InChI=1S/C4H7NO2/c1-3(6)5-4-2-7-4/h4H,2H2,1H3,(H,5,6)/t4-/m0/s1",33.68882,6.78932,
14340,[C:1](/[C:2](=[N:3]\[H:11])[O:4][C:5]([C:6](=[O:7])[H:14])([H:12])[H:13])([H:8])([H:9])[H:10],[C:1](/[C:2](=[N:3]\[O:4][C:5]([C:6](=[O:7])[H:14])([H:12])[H:13])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-4(5)7-3-2-6/h2,5H,3H2,1H3/b5-4+","InChI=1S/C4H7NO2/c1-2-5-7-4-3-6/h2-3H,4H2,1H3/b5-2-",106.40122,40.059459999999994,
14341,[C:1](/[C:2](=[N:3]\[H:11])[O:4][C:5]([C:6](=[O:7])[H:14])([H:12])[H:13])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:14])[N:3]([H:11])[C:6](=[O:7])[C:5]([H:12])([H:13])[O:4]1)([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-4(5)7-3-2-6/h2,5H,3H2,1H3/b5-4+","InChI=1S/C4H7NO2/c1-3-5-4(6)2-7-3/h3H,2H2,1H3,(H,5,6)/t3-/m0/s1",54.9427,-14.19645,
14342,[C:1](/[C:2](=[N:3]\[H:11])[O:4][C:5]([C:6](=[O:7])[H:14])([H:12])[H:13])([H:8])([H:9])[H:10],[C:1](=[C:2]1[N:3]([H:11])[O:7][C:6]([H:9])([H:14])[C:5]([H:12])([H:13])[O:4]1)([H:8])[H:10],"InChI=1S/C4H7NO2/c1-4(5)7-3-2-6/h2,5H,3H2,1H3/b5-4+","InChI=1S/C4H7NO2/c1-4-5-7-3-2-6-4/h5H,1-3H2",81.92914,53.833709999999996,
14343,[C:1](/[C:2](=[N:3]\[H:11])[O:4][C:5]([C:6](=[O:7])[H:14])([H:12])[H:13])([H:8])([H:9])[H:10],[C:1](/[C:2](=[N:3]\[H:11])[C:6](=[O:7])[H:14])([H:8])([H:9])[H:10].[O:4]=[C:5]([H:12])[H:13],"InChI=1S/C4H7NO2/c1-4(5)7-3-2-6/h2,5H,3H2,1H3/b5-4+","InChI=1S/C3H5NO.CH2O/c1-3(4)2-5;1-2/h2,4H,1H3;1H2/b4-3+;",83.67918,26.718009999999996,
14344,[C:1](/[C:2](=[N:3]\[H:11])[O:4][C:5]([C:6](=[O:7])[H:14])([H:12])[H:13])([H:8])([H:9])[H:10],[C:1](/[C:2](=[N:3]\[H:11])[O:4]/[C:5](=[C:6](/[O:7][H:13])[H:14])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-4(5)7-3-2-6/h2,5H,3H2,1H3/b5-4+","InChI=1S/C4H7NO2/c1-4(5)7-3-2-6/h2-3,5-6H,1H3/b3-2+,5-4+",62.84961,7.1356,ketoenol
14345,[C:1](/[C:2](=[N:3]\[H:11])[O:4][C:5]([C:6](=[O:7])[H:14])([H:12])[H:13])([H:8])([H:9])[H:10],[C:1]([C@:6]1([H:14])[C:5]([H:12])([H:13])[O:4]/[C:2](=[N:3]/[H:11])[O:7]1)([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-4(5)7-3-2-6/h2,5H,3H2,1H3/b5-4+","InChI=1S/C4H7NO2/c1-3-2-6-4(5)7-3/h3,5H,2H2,1H3/b5-4-/t3-/m1/s1",83.06338000000001,-6.77232,
14346,[C:1](/[C:2](=[N:3]\[H:11])[O:4][C:5]([C:6](=[O:7])[H:14])([H:12])[H:13])([H:8])([H:9])[H:10],[C-:6]#[O+:7].[C:1]([C@:2]1([N:3]([H:11])[H:14])[O:4][C:5]1([H:12])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-4(5)7-3-2-6/h2,5H,3H2,1H3/b5-4+","InChI=1S/C3H7NO.CO/c1-3(4)2-5-3;1-2/h2,4H2,1H3;/t3-;/m0./s1",63.50721,19.948179999999997,
14347,[C:1](/[C:2](=[N:3]\[H:11])[O:4][C:5]([C:6](=[O:7])[H:14])([H:12])[H:13])([H:8])([H:9])[H:10],[C:1]([N:3]([C-:2]=[O+:4][C:5]([C:6](=[O:7])[H:14])([H:12])[H:13])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-4(5)7-3-2-6/h2,5H,3H2,1H3/b5-4+","InChI=1S/C4H7NO2/c1-5-4-7-3-2-6/h2,5H,3H2,1H3",93.10027,44.32857,
14348,[C:1](/[C:2](=[N:3]\[H:11])[O:4][C:5]([C:6](=[O:7])[H:14])([H:12])[H:13])([H:8])([H:9])[H:10],[C:1]([C:2]=[N:3][H:11])([H:8])([H:9])[H:10].[O:4]1[C:5]([H:12])([H:13])[C@@:6]1([O:7])[H:14],"InChI=1S/C4H7NO2/c1-4(5)7-3-2-6/h2,5H,3H2,1H3/b5-4+","InChI=1S/C2H4N.C2H3O2/c1-2-3;3-2-1-4-2/h3H,1H3;2H,1H2/t;2-/m.1/s1",79.10135,101.82714,
14349,[C:1](/[C:2](=[N:3]\[H:11])[O:4][C:5]([C:6](=[O:7])[H:14])([H:12])[H:13])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([O:7][C:6](=[C:5]([H:12])[H:13])[H:14])[N:3]([H:11])[O:4]1)([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-4(5)7-3-2-6/h2,5H,3H2,1H3/b5-4+","InChI=1S/C4H7NO2/c1-3-6-4(2)5-7-4/h3,5H,1H2,2H3/t4-/m0/s1",86.43154,59.72891,
14350,[C:1](/[C:2](=[N:3]\[H:11])[O:4][C:5]([C:6](=[O:7])[H:14])([H:12])[H:13])([H:8])([H:9])[H:10],[C:1]([C+:2]([N:3]([O-:7])[H:11])[C@:6]1([H:14])[O:4][C:5]1([H:12])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-4(5)7-3-2-6/h2,5H,3H2,1H3/b5-4+","InChI=1S/C4H7NO2/c1-3(5-6)4-2-7-4/h4-5H,2H2,1H3/t4-/m1/s1",108.06691000000001,61.88098000000001,
14351,[C:1](/[C:2](=[N:3]\[H:11])[O:4][C:5]([C:6](=[O:7])[H:14])([H:12])[H:13])([H:8])([H:9])[H:10],[C:1]([C@@:2]12[N:3]([H:11])[C@@:6]([H:14])([C:5]([H:12])([H:13])[O:4]1)[O:7]2)([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-4(5)7-3-2-6/h2,5H,3H2,1H3/b5-4+","InChI=1S/C4H7NO2/c1-4-5-3(7-4)2-6-4/h3,5H,2H2,1H3/t3-,4-/m1/s1",61.1926,31.97537,
14352,[O:1]([C:2]1([C:3]([C:4]#[N:5])([H:9])[H:10])[C:6]([H:11])([H:12])[C:7]1([H:13])[H:14])[H:8],[C:2]1([C:3]([C:4]#[N:5])([H:9])[H:10])=[C:6]([H:12])[C:7]1([H:13])[H:14].[O:1]([H:8])[H:11],"InChI=1S/C5H7NO/c6-4-3-5(7)1-2-5/h7H,1-3H2","InChI=1S/C5H5N.H2O/c6-4-3-5-1-2-5;/h1H,2-3H2;1H2",73.78714000000001,38.84324,
14353,[O:1]([C:2]1([C:3]([C:4]#[N:5])([H:9])[H:10])[C:6]([H:11])([H:12])[C:7]1([H:13])[H:14])[H:8],[C:3](=[C:4]=[N:5][H:12])([H:9])[H:10].[O:1]([C:2]1=[C:6]([H:11])[C:7]1([H:13])[H:14])[H:8],"InChI=1S/C5H7NO/c6-4-3-5(7)1-2-5/h7H,1-3H2","InChI=1S/C3H4O.C2H3N/c4-3-1-2-3;1-2-3/h1,4H,2H2;3H,1H2",67.24526,61.67878,Retroene
14354,[O:1]([C:2]1([C:3]([C:4]#[N:5])([H:9])[H:10])[C:6]([H:11])([H:12])[C:7]1([H:13])[H:14])[H:8],[O:1]([C:2]1([C:3]([N+:5]#[C-:4])([H:9])[H:10])[C:6]([H:11])([H:12])[C:7]1([H:13])[H:14])[H:8],"InChI=1S/C5H7NO/c6-4-3-5(7)1-2-5/h7H,1-3H2","InChI=1S/C5H7NO/c1-6-4-5(7)2-3-5/h7H,2-4H2",55.831419999999994,25.96348,
14355,[O:1]([C:2]1([C:3]([C:4]#[N:5])([H:9])[H:10])[C:6]([H:11])([H:12])[C:7]1([H:13])[H:14])[H:8],[O:1]([C@@:2]12[C:3]([H:9])([H:10])[C:4][N:5]([H:13])[C@:7]1([H:14])[C:6]2([H:11])[H:12])[H:8],"InChI=1S/C5H7NO/c6-4-3-5(7)1-2-5/h7H,1-3H2","InChI=1S/C5H7NO/c7-5-1-2-6-4(5)3-5/h4,6-7H,1,3H2/t4-,5-/m1/s1",86.33697,47.86805,
14356,[O:1]([C:2]1([C:3]([C:4]#[N:5])([H:9])[H:10])[C:6]([H:11])([H:12])[C:7]1([H:13])[H:14])[H:8],[O:1]1[C:2]2([C:3]([H:9])([H:10])[C:4][N:5]1[H:8])[C:6]([H:11])([H:12])[C:7]2([H:13])[H:14],"InChI=1S/C5H7NO/c6-4-3-5(7)1-2-5/h7H,1-3H2","InChI=1S/C5H7NO/c1-2-5(1)3-4-6-7-5/h6H,1-3H2",63.824490000000004,73.70188,
14357,[O:1]([C:2]1([C:3]([C:4]#[N:5])([H:9])[H:10])[C:6]([H:11])([H:12])[C:7]1([H:13])[H:14])[H:8],[C:6](=[C:7]([H:13])[H:14])([H:11])[H:12].[O:1]([C@@:2]12[C:3]([H:9])([H:10])[C:4]1=[N:5]2)[H:8],"InChI=1S/C5H7NO/c6-4-3-5(7)1-2-5/h7H,1-3H2","InChI=1S/C3H3NO.C2H4/c5-3-1-2(3)4-3;1-2/h5H,1H2;1-2H2/t3-;/m0./s1",90.87024,73.76548000000001,
14358,[O:1]([C:2]1([C:3]([C:4]#[N:5])([H:9])[H:10])[C:6]([H:11])([H:12])[C:7]1([H:13])[H:14])[H:8],[C:3](=[C:4]=[N:5][H:8])([H:9])[H:10].[O:1]=[C:2]1[C:6]([H:11])([H:12])[C:7]1([H:13])[H:14],"InChI=1S/C5H7NO/c6-4-3-5(7)1-2-5/h7H,1-3H2","InChI=1S/C3H4O.C2H3N/c4-3-1-2-3;1-2-3/h1-2H2;3H,1H2",42.96671,41.09543,Retroene
14359,[O:1]([C:2]1([C:3]([C:4]#[N:5])([H:9])[H:10])[C:6]([H:11])([H:12])[C:7]1([H:13])[H:14])[H:8],[O:1]([C@:2]12[C:3]([H:9])([H:10])/[C:4](=[N:5]/[H:12])[C@@:6]1([H:11])[C:7]2([H:13])[H:14])[H:8],"InChI=1S/C5H7NO/c6-4-3-5(7)1-2-5/h7H,1-3H2","InChI=1S/C5H7NO/c6-4-2-5(7)1-3(4)5/h3,6-7H,1-2H2/b6-4-/t3-,5-/m1/s1",100.27865,20.407770000000003,
14360,[O:1]([C:2]1([C:3]([C:4]#[N:5])([H:9])[H:10])[C:6]([H:11])([H:12])[C:7]1([H:13])[H:14])[H:8],[O:1](/[C:2](=[C:3](\[C:4]#[N:5])[H:10])[C:6]([C:7]([H:9])([H:13])[H:14])([H:11])[H:12])[H:8],"InChI=1S/C5H7NO/c6-4-3-5(7)1-2-5/h7H,1-3H2","InChI=1S/C5H7NO/c1-2-5(7)3-4-6/h3,7H,2H2,1H3/b5-3-",66.60282,-21.865489999999998,
14361,[O:1]([C:2]1([C:3]([C:4]#[N:5])([H:9])[H:10])[C:6]([H:11])([H:12])[C:7]1([H:13])[H:14])[H:8],[O:1]([C:2]([C:3]([C:4]1=[N:5][C:7]1([H:13])[H:14])([H:9])[H:10])=[C:6]([H:11])[H:12])[H:8],"InChI=1S/C5H7NO/c6-4-3-5(7)1-2-5/h7H,1-3H2","InChI=1S/C5H7NO/c1-4(7)2-5-3-6-5/h7H,1-3H2",71.65545999999999,25.10536,
14362,[O:1]([C:2]1([C:3]([C:4]#[N:5])([H:9])[H:10])[C:6]([H:11])([H:12])[C:7]1([H:13])[H:14])[H:8],[O:1]([C:2]([C:3]([C-:4]=[N+:5]=[C:7]([H:13])[H:14])([H:9])[H:10])=[C:6]([H:11])[H:12])[H:8],"InChI=1S/C5H7NO/c6-4-3-5(7)1-2-5/h7H,1-3H2","InChI=1S/C5H7NO/c1-5(7)3-4-6-2/h7H,1-3H2",66.11804000000001,33.87,
14363,[O:1]([C:2]1([C:3]([C:4]#[N:5])([H:9])[H:10])[C:6]([H:11])([H:12])[C:7]1([H:13])[H:14])[H:8],[O:1]([C:2](=[C:6]([H:11])[H:12])[C:7]([N:5]=[C:4]=[C:3]([H:9])[H:10])([H:13])[H:14])[H:8],"InChI=1S/C5H7NO/c6-4-3-5(7)1-2-5/h7H,1-3H2","InChI=1S/C5H7NO/c1-3-6-4-5(2)7/h7H,1-2,4H2",62.8086,14.706529999999999,
14364,[O:1]([C:2]1([C:3]([C:4]#[N:5])([H:9])[H:10])[C:6]([H:11])([H:12])[C:7]1([H:13])[H:14])[H:8],[O:1]([C:6]([C:7]([C:2][C:3]([C:4]#[N:5])([H:9])[H:10])([H:13])[H:14])([H:11])[H:12])[H:8],"InChI=1S/C5H7NO/c6-4-3-5(7)1-2-5/h7H,1-3H2","InChI=1S/C5H7NO/c6-4-2-1-3-5-7/h7H,2-3,5H2",85.75376,73.90561,
14365,[O:1]([C:2]1([C:3]([C:4]#[N:5])([H:9])[H:10])[C:6]([H:11])([H:12])[C:7]1([H:13])[H:14])[H:8],[C:2]1(=[C:3]([H:9])[H:10])[C:6]([H:11])([H:12])[C:7]1([H:13])[H:14].[O:1]([C:4]#[N:5])[H:8],"InChI=1S/C5H7NO/c6-4-3-5(7)1-2-5/h7H,1-3H2",InChI=1S/C4H6.CHNO/c1-4-2-3-4;2-1-3/h1-3H2;3H,73.85693,38.04002,
14366,[O:1]([C:2]1([C:3]([C:4]#[N:5])([H:9])[H:10])[C:6]([H:11])([H:12])[C:7]1([H:13])[H:14])[H:8],[O:1]([C@:2]([C:3]([C:4]#[N:5])([H:9])[H:10])([C:6]([H:11])([H:12])[H:14])[C:7][H:13])[H:8],"InChI=1S/C5H7NO/c6-4-3-5(7)1-2-5/h7H,1-3H2","InChI=1S/C5H7NO/c1-5(2,7)3-4-6/h1,7H,3H2,2H3/t5-/m0/s1",65.97629,72.30426999999999,
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14372,[O:1]([C:2]1([C:3]([C:4]#[N:5])([H:9])[H:10])[C:6]([H:11])([H:12])[C:7]1([H:13])[H:14])[H:8],[O:1](/[C:2]([C:3]([C:4]#[N:5])([H:9])[H:10])=[C:7](\[C:6]([H:11])([H:12])[H:14])[H:13])[H:8],"InChI=1S/C5H7NO/c6-4-3-5(7)1-2-5/h7H,1-3H2","InChI=1S/C5H7NO/c1-2-5(7)3-4-6/h2,7H,3H2,1H3/b5-2-",65.97454,-11.86725,
14373,[O:1]([C:2]1([C:3]([C:4]#[N:5])([H:9])[H:10])[C:6]([H:11])([H:12])[C:7]1([H:13])[H:14])[H:8],[O:1]([C@@:2]([C:3]([C:4]#[N:5])([H:9])[H:10])([C:7]([C:6][H:12])([H:13])[H:14])[H:11])[H:8],"InChI=1S/C5H7NO/c6-4-3-5(7)1-2-5/h7H,1-3H2","InChI=1S/C5H7NO/c1-2-5(7)3-4-6/h1,5,7H,2-3H2/t5-/m1/s1",75.34868,82.10893,
14374,[O:1]([C:2]1([C:3]([C:4]#[N:5])([H:9])[H:10])[C:6]([H:11])([H:12])[C:7]1([H:13])[H:14])[H:8],[O:1]([C:2][C:6]([C:7]([C:3]([C:4]#[N:5])([H:9])[H:10])([H:13])[H:14])([H:11])[H:12])[H:8],"InChI=1S/C5H7NO/c6-4-3-5(7)1-2-5/h7H,1-3H2","InChI=1S/C5H7NO/c6-4-2-1-3-5-7/h7H,1-3H2",79.54139,40.71053,
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14378,[O:1]=[C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[N:5]=[C:6]([H:12])[O:7]1)[H:8],[O:1]=[C:2]([C@@:3]([C:4](=[N+:5]=[C-:6][H:12])[H:10])([O:7][H:11])[H:9])[H:8],"InChI=1S/C4H5NO2/c6-2-4-1-5-3-7-4/h2-4H,1H2/t4-/m1/s1","InChI=1S/C4H5NO2/c1-5-2-4(7)3-6/h1-4,7H/t4-/m1/s1",83.9828,43.53935,
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14386,[O:1]=[C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[N:5]=[C:6]([H:12])[O:7]1)[H:8],[C:3]1([H:8])([H:9])[C:4]([H:10])([H:11])[N:5]=[C:6]([H:12])[O:7]1.[O+:1]#[C-:2],"InChI=1S/C4H5NO2/c6-2-4-1-5-3-7-4/h2-4H,1H2/t4-/m1/s1","InChI=1S/C3H5NO.CO/c1-2-5-3-4-1;1-2/h3H,1-2H2;",71.81233,-1.60099,"1,2_Insertion_CO"
14387,[O:1]=[C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[N:5]=[C:6]([H:12])[O:7]1)[H:8],[O:1]([C:2][C@@:3]1([H:9])[C:4]([H:10])([H:11])[N:5]=[C:6]([H:12])[O:7]1)[H:8],"InChI=1S/C4H5NO2/c6-2-4-1-5-3-7-4/h2-4H,1H2/t4-/m1/s1","InChI=1S/C4H5NO2/c6-2-4-1-5-3-7-4/h3-4,6H,1H2/t4-/m1/s1",81.05994,53.93565,
14388,[O:1]=[C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[N:5]=[C:6]([H:12])[O:7]1)[H:8],[O:1]1[C:2]([H:8])=[C:3]([H:9])[C:4]([H:10])([H:11])[N:5]1[C:6](=[O:7])[H:12],"InChI=1S/C4H5NO2/c6-2-4-1-5-3-7-4/h2-4H,1H2/t4-/m1/s1","InChI=1S/C4H5NO2/c6-4-5-2-1-3-7-5/h1,3-4H,2H2",57.07666999999999,32.39638,
14389,[O:1]=[C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[N:5]=[C:6]([H:12])[O:7]1)[H:8],[N:5](=[C:6]=[O:7])[H:12].[O:1]=[C:2]([C:3](=[C:4]([H:10])[H:11])[H:9])[H:8],"InChI=1S/C4H5NO2/c6-2-4-1-5-3-7-4/h2-4H,1H2/t4-/m1/s1","InChI=1S/C3H4O.CHNO/c1-2-3-4;2-1-3/h2-3H,1H2;2H",54.50147,-5.05187,
14390,[O:1]=[C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[N:5]=[C:6]([H:12])[O:7]1)[H:8],[N:5]#[C:6][H:12].[O:1]1[C@@:2]2([H:8])[C@@:3]([H:9])([C:4]1([H:10])[H:11])[O:7]2,"InChI=1S/C4H5NO2/c6-2-4-1-5-3-7-4/h2-4H,1H2/t4-/m1/s1","InChI=1S/C3H4O2.CHN/c1-2-3(4-1)5-2;1-2/h2-3H,1H2;1H/t2-,3-;/m1./s1",86.71078,60.007540000000006,
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14393,[O:1]=[C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[N:5]=[C:6]([H:12])[O:7]1)[H:8],[O:1]1[C@@:2]2([H:8])[C@:3]1([H:9])[C:4]([H:10])([H:11])[N:5]2[C:6](=[O:7])[H:12],"InChI=1S/C4H5NO2/c6-2-4-1-5-3-7-4/h2-4H,1H2/t4-/m1/s1","InChI=1S/C4H5NO2/c6-2-5-1-3-4(5)7-3/h2-4H,1H2/t3-,4-/m0/s1",68.92061,30.483259999999998,
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14395,[O:1]=[C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[N:5]=[C:6]([H:12])[O:7]1)[H:8],[O:1](/[C:2](=[C:3]1\[C:4]([H:10])([H:11])[N:5]=[C:6]([H:12])[O:7]1)[H:8])[H:9],"InChI=1S/C4H5NO2/c6-2-4-1-5-3-7-4/h2-4H,1H2/t4-/m1/s1","InChI=1S/C4H5NO2/c6-2-4-1-5-3-7-4/h2-3,6H,1H2/b4-2+",63.13608000000001,3.8536900000000003,ketoenol
14396,[O:1]=[C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[N:5]=[C:6]([H:12])[O:7]1)[H:8],[O:1]1[C:2]([H:8])=[C:3]([H:9])[O:7][C:6]([H:12])=[N:5][C:4]1([H:10])[H:11],"InChI=1S/C4H5NO2/c6-2-4-1-5-3-7-4/h2-4H,1H2/t4-/m1/s1","InChI=1S/C4H5NO2/c1-2-7-4-5-3-6-1/h1-3H,4H2",68.56299,60.233959999999996,ketoenol
14397,[O:1]=[C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[N:5]=[C:6]([H:12])[O:7]1)[H:8],[O:1]=[C:2]=[C:3]([O:7]/[C:6](=[N:5]\[C:4]([H:8])([H:10])[H:11])[H:12])[H:9],"InChI=1S/C4H5NO2/c6-2-4-1-5-3-7-4/h2-4H,1H2/t4-/m1/s1","InChI=1S/C4H5NO2/c1-5-4-7-3-2-6/h3-4H,1H3/b5-4-",52.29361,28.73222,
14398,[O:1]=[C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[N:5]=[C:6]([H:12])[O:7]1)[H:8],[C:4](=[N+:5]=[C-:6][H:12])([H:10])[H:11].[O:1]=[C:2]([C:3](=[O:7])[H:9])[H:8],"InChI=1S/C4H5NO2/c6-2-4-1-5-3-7-4/h2-4H,1H2/t4-/m1/s1","InChI=1S/C2H3N.C2H2O2/c1-3-2;3-1-2-4/h1H,2H2;1-2H",51.492540000000005,60.63972,
14399,[O:1]=[C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[N:5]=[C:6]([H:12])[O:7]1)[H:8],[O:1]1[C@@:2]2([H:8])[C@:3]1([H:9])[C:4]([H:10])([H:11])[N:5]1[C@:6]2([H:12])[O:7]1,"InChI=1S/C4H5NO2/c6-2-4-1-5-3-7-4/h2-4H,1H2/t4-/m1/s1","InChI=1S/C4H5NO2/c1-2-3(6-2)4-5(1)7-4/h2-4H,1H2/t2-,3-,4+,5?/m0/s1",126.70603,67.35045,
14400,[O:1]=[C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[N:5]=[C:6]([H:12])[O:7]1)[H:8],[O:1]=[C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[N:5]1[C:6](=[O:7])[H:12])[H:8],"InChI=1S/C4H5NO2/c6-2-4-1-5-3-7-4/h2-4H,1H2/t4-/m1/s1","InChI=1S/C4H5NO2/c6-2-4-1-5(4)3-7/h2-4H,1H2/t4-,5?/m1/s1",40.8319,13.793989999999999,ketoenol
14401,[O:1]=[C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[N:5]=[C:6]([H:12])[O:7]1)[H:8],[O:1]=[C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[N:5]([H:12])[C-:6]=[O+:7]1)[H:8],"InChI=1S/C4H5NO2/c6-2-4-1-5-3-7-4/h2-4H,1H2/t4-/m1/s1","InChI=1S/C4H5NO2/c6-2-4-1-5-3-7-4/h2,4-5H,1H2/t4-/m1/s1",65.94118,26.869429999999998,
14402,[O:1]=[C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[N:5]=[C:6]([H:12])[O:7]1)[H:8],[O:1]1[C@:2]2([H:8])[C@@:3]([H:9])([C:4]2([H:10])[H:11])[O:7][C:6]([H:12])=[N:5]1,"InChI=1S/C4H5NO2/c6-2-4-1-5-3-7-4/h2-4H,1H2/t4-/m1/s1","InChI=1S/C4H5NO2/c1-3-4(1)7-5-2-6-3/h2-4H,1H2/t3-,4+/m1/s1",93.77790999999999,53.496340000000004,
14403,[O:1]=[C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[N:5]=[C:6]([H:12])[O:7]1)[H:8],[H:10][H:11].[O:1]=[C:2]([C@@:3]1([H:9])[C-:4]=[N+:5]=[C:6]([H:12])[O:7]1)[H:8],"InChI=1S/C4H5NO2/c6-2-4-1-5-3-7-4/h2-4H,1H2/t4-/m1/s1",InChI=1S/C4H3NO2.H2/c6-2-4-1-5-3-7-4;/h2-4H;1H/t4-;/m1./s1,80.28174,81.53197,
14404,[O:1]=[C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[N:5]=[C:6]([H:12])[O:7]1)[H:8],[O-:1][C:2](=[C:3]=[O+:7]/[C:6](=[N:5]\[C:4]([H:9])([H:10])[H:11])[H:12])[H:8],"InChI=1S/C4H5NO2/c6-2-4-1-5-3-7-4/h2-4H,1H2/t4-/m1/s1","InChI=1S/C4H5NO2/c1-5-4-7-3-2-6/h2,4H,1H3/b5-4-",68.38938,66.44848,
14405,[O:1]=[C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[N:5]=[C:6]([H:12])[O:7]1)[H:8],[O:1]=[C:2](/[C:6](=[N:5]\[C:4]([C:3](=[O:7])[H:9])([H:10])[H:11])[H:12])[H:8],"InChI=1S/C4H5NO2/c6-2-4-1-5-3-7-4/h2-4H,1H2/t4-/m1/s1","InChI=1S/C4H5NO2/c6-3-1-5-2-4-7/h1,3-4H,2H2/b5-1-",84.72084,11.638,
14406,[O:1]=[C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[N:5]=[C:6]([H:12])[O:7]1)[H:8],[N:5]#[C:6][H:12].[O:1]=[C:2]([C:4]([C:3](=[O:7])[H:9])([H:10])[H:11])[H:8],"InChI=1S/C4H5NO2/c6-2-4-1-5-3-7-4/h2-4H,1H2/t4-/m1/s1","InChI=1S/C3H4O2.CHN/c4-2-1-3-5;1-2/h2-3H,1H2;1H",66.04561,14.833910000000001,
14407,[O:1]=[C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[N:5]=[C:6]([H:12])[O:7]1)[H:8],[N:5]#[C:6][H:12].[O:1]=[C:2]([C:3]([C:4]([H:9])([H:10])[H:11])=[O:7])[H:8],"InChI=1S/C4H5NO2/c6-2-4-1-5-3-7-4/h2-4H,1H2/t4-/m1/s1","InChI=1S/C3H4O2.CHN/c1-3(5)2-4;1-2/h2H,1H3;1H",68.26401,10.02931,
14408,[O:1]=[C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[N:5]=[C:6]([H:12])[O:7]1)[H:8],[O-:1][C:2](=[C:3]([O:7][C:6](=[N+:5]=[C:4]([H:10])[H:11])[H:12])[H:9])[H:8],"InChI=1S/C4H5NO2/c6-2-4-1-5-3-7-4/h2-4H,1H2/t4-/m1/s1","InChI=1S/C4H5NO2/c1-5-4-7-3-2-6/h2-4H,1H2",53.442330000000005,40.130559999999996,
14409,[C:1]([C:2]12[C:3]([H:11])([H:12])[C:4]([C:5]([H:13])([H:14])[H:15])([C:6]1([H:16])[H:17])[O:7]2)([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([C:4]([C:5]([H:13])([H:14])[H:15])=[C:6]([H:16])[H:17])([H:11])[H:12])=[O:7])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-5-3-6(2,4-5)7-5/h3-4H2,1-2H3","InChI=1S/C6H10O/c1-5(2)4-6(3)7/h1,4H2,2-3H3",28.32118,-47.239259999999994,
14410,[C:1]([C:2]12[C:3]([H:11])([H:12])[C:4]([C:5]([H:13])([H:14])[H:15])([C:6]1([H:16])[H:17])[O:7]2)([H:8])([H:9])[H:10],[C:1]([C:2][C:3]([C@@:4]1([C:5]([H:13])([H:14])[H:15])[C:6]([H:16])([H:17])[O:7]1)([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-5-3-6(2,4-5)7-5/h3-4H2,1-2H3","InChI=1S/C6H10O/c1-3-4-6(2)5-7-6/h4-5H2,1-2H3/t6-/m0/s1",75.80171,54.471340000000005,
14411,[C:1]([C:2]12[C:3]([H:11])([H:12])[C:4]([C:5]([H:13])([H:14])[H:15])([C:6]1([H:16])[H:17])[O:7]2)([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:3]([H:12])[C@:4]([C:5]([H:13])([H:14])[H:15])([O:7][H:11])[C:6]1([H:16])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-5-3-6(2,4-5)7-5/h3-4H2,1-2H3","InChI=1S/C6H10O/c1-5-3-6(2,7)4-5/h3,7H,4H2,1-2H3/t6-/m0/s1",63.23814,-27.65618,
14412,[C:1]([C:2]12[C:3]([H:11])([H:12])[C:4]([C:5]([H:13])([H:14])[H:15])([C:6]1([H:16])[H:17])[O:7]2)([H:8])([H:9])[H:10],[C:1](=[C:2]1[C:3]([H:11])([H:12])[C:4]([C:5]([H:13])([H:14])[H:15])([O:7][H:9])[C:6]1([H:16])[H:17])([H:8])[H:10],"InChI=1S/C6H10O/c1-5-3-6(2,4-5)7-5/h3-4H2,1-2H3","InChI=1S/C6H10O/c1-5-3-6(2,7)4-5/h7H,1,3-4H2,2H3",65.08681,-26.867379999999997,
14413,[C:1]([C@@:2]1([C:5](=[O:6])[N:7]([H:13])[H:14])[C:3]([H:11])([H:12])[O:4]1)([H:8])([H:9])[H:10],[C-:2]1=[O+:4][C:3]1([H:11])[H:12].[C:1]([C:5](=[O:6])[N:7]([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-4(2-7-4)3(5)6/h2H2,1H3,(H2,5,6)/t4-/m0/s1","InChI=1S/C2H5NO.C2H2O/c1-2(3)4;1-2-3-1/h1H3,(H2,3,4);1H2",89.71089,65.09748,
14414,[C:1]([C@@:2]1([C:5](=[O:6])[N:7]([H:13])[H:14])[C:3]([H:11])([H:12])[O:4]1)([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:13].[C@:2]12([C:3]([H:11])([H:12])[O:4]1)/[C:5](=[N:7]/[H:14])[O:6]2,"InChI=1S/C4H7NO2/c1-4(2-7-4)3(5)6/h2H2,1H3,(H2,5,6)/t4-/m0/s1","InChI=1S/C3H3NO2.CH4/c4-2-3(6-2)1-5-3;/h4H,1H2;1H4/b4-2-;/t3-;/m0./s1",82.59047,59.74995,
14415,[C:1]([C@@:2]1([C:5](=[O:6])[N:7]([H:13])[H:14])[C:3]([H:11])([H:12])[O:4]1)([H:8])([H:9])[H:10],[C:1]([O:4][C:3]([C+:2]=[C:5]([O-:6])[N:7]([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-4(2-7-4)3(5)6/h2H2,1H3,(H2,5,6)/t4-/m0/s1","InChI=1S/C4H7NO2/c1-7-3-2-4(5)6/h3,5H2,1H3",100.32603,75.27506,
14416,[C:1]([C@@:2]1([C:5](=[O:6])[N:7]([H:13])[H:14])[C:3]([H:11])([H:12])[O:4]1)([H:8])([H:9])[H:10],[C:1]([N:7]([H:13])[H:14])([H:8])([H:9])[H:10].[C:2]1(=[C:5]=[O:6])[C:3]([H:11])([H:12])[O:4]1,"InChI=1S/C4H7NO2/c1-4(2-7-4)3(5)6/h2H2,1H3,(H2,5,6)/t4-/m0/s1","InChI=1S/C3H2O2.CH5N/c4-1-3-2-5-3;1-2/h2H2;2H2,1H3",108.10982,71.77596,
14417,[C:1]([C@@:2]1([C:5](=[O:6])[N:7]([H:13])[H:14])[C:3]([H:11])([H:12])[O:4]1)([H:8])([H:9])[H:10],[C:1]([C@@:2]1([C-:5]([O:6][H:12])[N:7]([H:13])[H:14])[C:3]([H:11])=[O+:4]1)([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-4(2-7-4)3(5)6/h2H2,1H3,(H2,5,6)/t4-/m0/s1","InChI=1S/C4H7NO2/c1-4(2-7-4)3(5)6/h2,6H,5H2,1H3/t4-/m0/s1",99.80758,69.76199,
14418,[C:1]([C@@:2]1([C:5](=[O:6])[N:7]([H:13])[H:14])[C:3]([H:11])([H:12])[O:4]1)([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]([H:11])[H:12])[C:5](=[O+:6][O-:4])[N:7]([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-4(2-7-4)3(5)6/h2H2,1H3,(H2,5,6)/t4-/m0/s1","InChI=1S/C4H7NO2/c1-3(2)4(5)7-6/h1,5H2,2H3",109.13909,85.10613000000001,
14419,[C:1]([C@@:2]1([C:5](=[O:6])[N:7]([H:13])[H:14])[C:3]([H:11])([H:12])[O:4]1)([H:8])([H:9])[H:10],[C:1](=[C:2]1[C:3]([H:11])([H:12])[O:4]1)([H:8])[H:9].[C:5](=[O:6])([N:7]([H:13])[H:14])[H:10],"InChI=1S/C4H7NO2/c1-4(2-7-4)3(5)6/h2H2,1H3,(H2,5,6)/t4-/m0/s1","InChI=1S/C3H4O.CH3NO/c1-3-2-4-3;2-1-3/h1-2H2;1H,(H2,2,3)",107.25198,36.02665,
14420,[C:1]([C@@:2]1([C:5](=[O:6])[N:7]([H:13])[H:14])[C:3]([H:11])([H:12])[O:4]1)([H:8])([H:9])[H:10],[C:1]([C@@:2]([O+:4]=[C-:3][H:12])([C:5](=[O:6])[N:7]([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-4(2-7-4)3(5)6/h2H2,1H3,(H2,5,6)/t4-/m0/s1","InChI=1S/C4H7NO2/c1-3(7-2)4(5)6/h2-3H,1H3,(H2,5,6)/t3-/m1/s1",76.01445,50.69332,
14421,[C:1]([C@@:2]1([C:5](=[O:6])[N:7]([H:13])[H:14])[C:3]([H:11])([H:12])[O:4]1)([H:8])([H:9])[H:10],[C:1]([C:2]([O+:4]=[C:3]([H:11])[H:12])=[C:5]([O-:6])[N:7]([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-4(2-7-4)3(5)6/h2H2,1H3,(H2,5,6)/t4-/m0/s1","InChI=1S/C4H7NO2/c1-3(7-2)4(5)6/h2,5H2,1H3",49.29593,35.99655,
14422,[C:1]([C@@:2]1([C:5](=[O:6])[N:7]([H:13])[H:14])[C:3]([H:11])([H:12])[O:4]1)([H:8])([H:9])[H:10],[C:1]([O:6]/[C:5](=[C:2]1\[C:3]([H:11])([H:12])[O:4]1)[N:7]([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-4(2-7-4)3(5)6/h2H2,1H3,(H2,5,6)/t4-/m0/s1","InChI=1S/C4H7NO2/c1-6-4(5)3-2-7-3/h2,5H2,1H3/b4-3+",89.61023,52.75003,ketoenol
14423,[C:1]([C@@:2]1([C:5](=[O:6])[N:7]([H:13])[H:14])[C:3]([H:11])([H:12])[O:4]1)([H:8])([H:9])[H:10],[C:1]([C:2](=[O:4])[C@:5]1([N:7]([H:13])[H:14])[C:3]([H:11])([H:12])[O:6]1)([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-4(2-7-4)3(5)6/h2H2,1H3,(H2,5,6)/t4-/m0/s1","InChI=1S/C4H7NO2/c1-3(6)4(5)2-7-4/h2,5H2,1H3/t4-/m0/s1",55.516769999999994,18.81196,
14424,[C:1]([C@@:2]1([C:5](=[O:6])[N:7]([H:13])[H:14])[C:3]([H:11])([H:12])[O:4]1)([H:8])([H:9])[H:10],[C:1]([C@:2]1([O-:4])[C:3]([H:11])([H:12])[O+:6]=[C:5]1[N:7]([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-4(2-7-4)3(5)6/h2H2,1H3,(H2,5,6)/t4-/m0/s1","InChI=1S/C4H7NO2/c1-4(6)2-7-3(4)5/h2,5H2,1H3/t4-/m0/s1",55.515769999999996,45.19831,
14425,[C:1]([C@@:2]1([C:5](=[O:6])[N:7]([H:13])[H:14])[C:3]([H:11])([H:12])[O:4]1)([H:8])([H:9])[H:10],[C:1]([C@@:2]([C:3][H:11])([O:4][H:12])[C:5](=[O:6])[N:7]([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-4(2-7-4)3(5)6/h2H2,1H3,(H2,5,6)/t4-/m0/s1","InChI=1S/C4H7NO2/c1-4(2,7)3(5)6/h1,7H,2H3,(H2,5,6)/t4-/m1/s1",70.75331,69.35497,
14426,[C:1]([C@@:2]1([C:5](=[O:6])[N:7]([H:13])[H:14])[C:3]([H:11])([H:12])[O:4]1)([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:14])[C:3]([H:11])([H:12])[O:4]1)([H:8])([H:9])[H:10].[C:5](=[O:6])=[N:7][H:13],"InChI=1S/C4H7NO2/c1-4(2-7-4)3(5)6/h2H2,1H3,(H2,5,6)/t4-/m0/s1","InChI=1S/C3H6O.CHNO/c1-3-2-4-3;2-1-3/h3H,2H2,1H3;2H/t3-;/m0./s1",75.3895,16.74997,
14427,[C:1]([C@@:2]1([C:5](=[O:6])[N:7]([H:13])[H:14])[C:3]([H:11])([H:12])[O:4]1)([H:8])([H:9])[H:10],[C:1]([C@@:2]1([C:3]([O:4][H:14])([H:11])[H:12])/[C:5](=[N:7]/[H:13])[O:6]1)([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-4(2-7-4)3(5)6/h2H2,1H3,(H2,5,6)/t4-/m0/s1","InChI=1S/C4H7NO2/c1-4(2-6)3(5)7-4/h5-6H,2H2,1H3/b5-3-/t4-/m1/s1",39.822559999999996,23.771320000000003,
14428,[C:1]([C@@:2]1([C:5](=[O:6])[N:7]([H:13])[H:14])[C:3]([H:11])([H:12])[O:4]1)([H:8])([H:9])[H:10],[C:1]([C@@:2]1([O+:6]=[C-:5][N:7]([H:13])[H:14])[C:3]([H:11])([H:12])[O:4]1)([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-4(2-7-4)3(5)6/h2H2,1H3,(H2,5,6)/t4-/m0/s1","InChI=1S/C4H7NO2/c1-4(2-6-4)7-3-5/h2,5H2,1H3/t4-/m1/s1",90.81305,53.49484,
14429,[C:1]([C@@:2]1([C:5](=[O:6])[N:7]([H:13])[H:14])[C:3]([H:11])([H:12])[O:4]1)([H:8])([H:9])[H:10],[C:1]([C:3]([O+:4]=[C:2]=[C:5]([O-:6])[N:7]([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-4(2-7-4)3(5)6/h2H2,1H3,(H2,5,6)/t4-/m0/s1","InChI=1S/C4H7NO2/c1-2-7-3-4(5)6/h2,5H2,1H3",96.83213,44.71967,
14430,[C:1]([C@@:2]1([C:5](=[O:6])[N:7]([H:13])[H:14])[C:3]([H:11])([H:12])[O:4]1)([H:8])([H:9])[H:10],[C:1]([C@@:2]1(/[C:5]([O:6][H:14])=[N:7]\[H:13])[C:3]([H:11])([H:12])[O:4]1)([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-4(2-7-4)3(5)6/h2H2,1H3,(H2,5,6)/t4-/m0/s1","InChI=1S/C4H7NO2/c1-4(2-7-4)3(5)6/h2H2,1H3,(H2,5,6)/t4-/m0/s1",42.99292,11.2466,ketoenol
14431,[C:1]([C@@:2]1([C:5](=[O:6])[N:7]([H:13])[H:14])[C:3]([H:11])([H:12])[O:4]1)([H:8])([H:9])[H:10],[C:1]([C:2][C:3]([O:4][C:5](=[O:6])[N:7]([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H7NO2/c1-4(2-7-4)3(5)6/h2H2,1H3,(H2,5,6)/t4-/m0/s1","InChI=1S/C4H7NO2/c1-2-3-7-4(5)6/h3H2,1H3,(H2,5,6)",73.41976,59.905680000000004,
14432,[C:1]([C@@:2]1([C:5](=[O:6])[N:7]([H:13])[H:14])[C:3]([H:11])([H:12])[O:4]1)([H:8])([H:9])[H:10],[C:1]([C@@:2]1([C:5]([O:6])=[N:7])[C:3]([H:11])([H:12])[O:4]1)([H:8])([H:9])[H:10].[H:13][H:14],"InChI=1S/C4H7NO2/c1-4(2-7-4)3(5)6/h2H2,1H3,(H2,5,6)/t4-/m0/s1","InChI=1S/C4H5NO2.H2/c1-4(2-7-4)3(5)6;/h2H2,1H3;1H/t4-;/m0./s1",97.68259,102.16119,
14433,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:4]1([C:5]([C:6]#[C:7][H:17])([H:15])[H:16])[H:14])([H:8])([H:9])[H:10],[C:1]1([H:8])([H:10])[C@@:2]2([H:11])[C:3]([H:12])([H:13])[C@@:4]2([H:14])[C:5]([H:15])([H:16])[C:6][C:7]1([H:9])[H:17],"InChI=1S/C7H10/c1-3-4-7-5-6(7)2/h1,6-7H,4-5H2,2H3/t6-,7+/m0/s1","InChI=1S/C7H10/c1-2-4-7-5-6(7)3-1/h6-7H,1,3-5H2/t6-,7+/m0/s1",65.71117,44.22965,
14434,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:4]1([C:5]([C:6]#[C:7][H:17])([H:15])[H:16])[H:14])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@@:4]2([H:14])[C:5]([H:15])([H:16])[C@@:6]12[C:7][H:17])([H:8])([H:9])[H:10],"InChI=1S/C7H10/c1-3-4-7-5-6(7)2/h1,6-7H,4-5H2,2H3/t6-,7+/m0/s1","InChI=1S/C7H10/c1-5-3-6-4-7(5,6)2/h2,5-6H,3-4H2,1H3/t5-,6-,7-/m0/s1",75.83154,55.65079,
14435,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:4]1([C:5]([C:6]#[C:7][H:17])([H:15])[H:16])[H:14])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C@:4]([C+:3]([H:12])[H:13])([H:14])[C:5]([H:15])([H:16])[C:6]1=[C-:7][H:17])([H:8])([H:9])[H:10],"InChI=1S/C7H10/c1-3-4-7-5-6(7)2/h1,6-7H,4-5H2,2H3/t6-,7+/m0/s1","InChI=1S/C7H10/c1-5-4-6(2)7(5)3/h1,6-7H,2,4H2,3H3/t6-,7+/m0/s1",66.90742,69.77343,
14436,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:4]1([C:5]([C:6]#[C:7][H:17])([H:15])[H:16])[H:14])([H:8])([H:9])[H:10],[C:1]([C:6]([C:5]([C@@:4]1([H:14])[C+:2]([H:11])[C:3]1([H:12])[H:13])([H:15])[H:16])=[C-:7][H:17])([H:8])([H:9])[H:10],"InChI=1S/C7H10/c1-3-4-7-5-6(7)2/h1,6-7H,4-5H2,2H3/t6-,7+/m0/s1","InChI=1S/C7H10/c1-6(2)5-7-3-4-7/h1,3,7H,4-5H2,2H3/t7-/m0/s1",99.81034,91.63459,
14437,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:4]1([C:5]([C:6]#[C:7][H:17])([H:15])[H:16])[H:14])([H:8])([H:9])[H:10],[C:1]([C@@:2]([C-:3]([H:12])[H:13])([C@@:4]1([H:14])[C:5]([H:15])([H:16])[C+:6]=[C:7]1[H:17])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C7H10/c1-3-4-7-5-6(7)2/h1,6-7H,4-5H2,2H3/t6-,7+/m0/s1","InChI=1S/C7H10/c1-6(2)7-4-3-5-7/h4,6-7H,1,5H2,2H3/t6-,7-/m1/s1",73.67366,72.85736,
14438,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:4]1([C:5]([C:6]#[C:7][H:17])([H:15])[H:16])[H:14])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@@:4]12[C:5]([H:15])([H:16])[C@:6]2([C:7][H:17])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C7H10/c1-3-4-7-5-6(7)2/h1,6-7H,4-5H2,2H3/t6-,7+/m0/s1","InChI=1S/C7H10/c1-5-3-7(5)4-6(7)2/h1,5-6H,3-4H2,2H3/t5-,6+,7-/m1/s1",88.43845999999999,68.72997,
14439,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:4]1([C:5]([C:6]#[C:7][H:17])([H:15])[H:16])[H:14])([H:8])([H:9])[H:10],[C:1]1([H:8])([H:9])[C@@:2]2([H:11])[C:3]([H:12])([H:13])[C@@:4]2([H:14])[C:5]([H:15])([H:16])[C:6]1=[C:7]([H:10])[H:17],"InChI=1S/C7H10/c1-3-4-7-5-6(7)2/h1,6-7H,4-5H2,2H3/t6-,7+/m0/s1","InChI=1S/C7H10/c1-5-2-6-4-7(6)3-5/h6-7H,1-4H2/t6-,7+",69.56328,-30.583579999999998,
14440,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:4]1([C:5]([C:6]#[C:7][H:17])([H:15])[H:16])[H:14])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:4]1([C:5](=[C:6]=[C:7]([H:16])[H:17])[H:15])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C7H10/c1-3-4-7-5-6(7)2/h1,6-7H,4-5H2,2H3/t6-,7+/m0/s1","InChI=1S/C7H10/c1-3-4-7-5-6(7)2/h4,6-7H,1,5H2,2H3/t6-,7+/m0/s1",66.54473,-7.4124,
14441,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:4]1([C:5]([C:6]#[C:7][H:17])([H:15])[H:16])[H:14])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]12[C:5]([H:15])([H:16])[C:6][C:7]2([H:14])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C7H10/c1-3-4-7-5-6(7)2/h1,6-7H,4-5H2,2H3/t6-,7+/m0/s1","InChI=1S/C7H10/c1-6-5-7(6)3-2-4-7/h6H,3-5H2,1H3/t6-/m0/s1",89.77278000000001,66.40588000000001,
14442,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:4]1([C:5]([C:6]#[C:7][H:17])([H:15])[H:16])[H:14])([H:8])([H:9])[H:10],[C:1]([C:2]1([H:11])[C:3]([H:12])=[C:4]1[H:14])([H:8])([H:9])[H:10].[C:5](=[C:6]=[C:7]([H:13])[H:17])([H:15])[H:16],"InChI=1S/C7H10/c1-3-4-7-5-6(7)2/h1,6-7H,4-5H2,2H3/t6-,7+/m0/s1","InChI=1S/C4H6.C3H4/c1-4-2-3-4;1-3-2/h2-4H,1H3;1-2H2",54.45285,39.62057,Retroene
14443,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:4]1([C:5]([C:6]#[C:7][H:17])([H:15])[H:16])[H:14])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:4]1([C:5]([C:7](=[C:6])[H:17])([H:15])[H:16])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C7H10/c1-3-4-7-5-6(7)2/h1,6-7H,4-5H2,2H3/t6-,7+/m0/s1","InChI=1S/C7H10/c1-3-4-7-5-6(7)2/h3,6-7H,4-5H2,2H3/t6-,7+/m0/s1",61.03134,51.57842,Singlet_Carbene_Intra_Disproportionation
14444,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:4]1([C:5]([C:6]#[C:7][H:17])([H:15])[H:16])[H:14])([H:8])([H:9])[H:10],[C:1]([C@@:2]([C:4](=[C:3]([H:12])[H:13])[H:14])([C:7](=[C:6]=[C:5]([H:15])[H:16])[H:17])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C7H10/c1-3-4-7-5-6(7)2/h1,6-7H,4-5H2,2H3/t6-,7+/m0/s1","InChI=1S/C7H10/c1-4-6-7(3)5-2/h5-7H,1-2H2,3H3/t7-/m0/s1",54.490930000000006,-11.41445,
14445,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:4]1([C:5]([C:6]#[C:7][H:17])([H:15])[H:16])[H:14])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C@:3]2([H:12])[C@@:4]1([H:14])[C:5]([H:15])([H:16])[C:6][C:7]2([H:13])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C7H10/c1-3-4-7-5-6(7)2/h1,6-7H,4-5H2,2H3/t6-,7+/m0/s1","InChI=1S/C7H10/c1-5-6-3-2-4-7(5)6/h5-7H,3-4H2,1H3/t5-,6+,7-",70.15621999999999,41.48592,
14446,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:4]1([C:5]([C:6]#[C:7][H:17])([H:15])[H:16])[H:14])([H:8])([H:9])[H:10],[C@@:1]12([H:10])[C@@:2]3([H:11])[C:3]([H:12])([H:13])[C@@:4]3([H:14])[C:5]([H:15])([H:16])[C:6]1=[C:7]2[H:17].[H:8][H:9],"InChI=1S/C7H10/c1-3-4-7-5-6(7)2/h1,6-7H,4-5H2,2H3/t6-,7+/m0/s1","InChI=1S/C7H8.H2/c1-4-2-6(4)7-3-5(1)7;/h2,5-7H,1,3H2;1H/t5-,6+,7+;/m1./s1",90.22404,44.42091,
14447,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:4]1([C:5]([C:6]#[C:7][H:17])([H:15])[H:16])[H:14])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]([H:12])[H:13])[H:11])([H:8])([H:9])[H:10].[C@:4]12([H:14])[C:5]([H:15])([H:16])[C:6]1=[C:7]2[H:17],"InChI=1S/C7H10/c1-3-4-7-5-6(7)2/h1,6-7H,4-5H2,2H3/t6-,7+/m0/s1","InChI=1S/C4H4.C3H6/c1-3-2-4(1)3;1-3-2/h1,3H,2H2;3H,1H2,2H3/t3-;/m0./s1",73.66674,53.996109999999994,
14448,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:4]1([C:5]([C:6]#[C:7][H:17])([H:15])[H:16])[H:14])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:4]12[C:5]([H:15])([H:16])[C:6]2=[C:7]([H:14])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C7H10/c1-3-4-7-5-6(7)2/h1,6-7H,4-5H2,2H3/t6-,7+/m0/s1","InChI=1S/C7H10/c1-5-3-7(5)4-6(7)2/h6H,1,3-4H2,2H3/t6-,7-/m0/s1",75.16548,2.23882,
14449,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:4]1([C:5]([C:6]#[C:7][H:17])([H:15])[H:16])[H:14])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:6]([C:5]([C:4](=[C:3]([H:12])[H:13])[H:14])([H:15])[H:16])=[C:7]1[H:17])([H:8])([H:9])[H:10],"InChI=1S/C7H10/c1-3-4-7-5-6(7)2/h1,6-7H,4-5H2,2H3/t6-,7+/m0/s1","InChI=1S/C7H10/c1-3-4-7-5-6(7)2/h3,5-6H,1,4H2,2H3/t6-/m1/s1",63.00212,7.131660000000001,
14450,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:4]1([C:5]([C:6]#[C:7][H:17])([H:15])[H:16])[H:14])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C:4][C:5]([C:6]#[C:7][H:17])([H:15])[H:16])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C7H10/c1-3-4-7-5-6(7)2/h1,6-7H,4-5H2,2H3/t6-,7+/m0/s1","InChI=1S/C7H10/c1-4-5-6-7(2)3/h1,7H,5H2,2-3H3",68.54133,70.69816,
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14454,[O:1]=[C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[C@:5]1([C:6]#[N:7])[H:12])[H:8],[O:1]=[C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[C@:5]1([N+:7]#[C-:6])[H:12])[H:8],"InChI=1S/C5H5NO/c6-2-4-1-5(4)3-7/h3-5H,1H2/t4-,5+/m0/s1","InChI=1S/C5H5NO/c1-6-5-2-4(5)3-7/h3-5H,2H2/t4-,5-/m1/s1",61.69935,27.00238,
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14460,[O:1]=[C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[C@:5]1([C:6]#[N:7])[H:12])[H:8],[O:1]([C+:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[C:5]1=[C:6]=[N-:7])[H:8])[H:12],"InChI=1S/C5H5NO/c6-2-4-1-5(4)3-7/h3-5H,1H2/t4-,5+/m0/s1","InChI=1S/C5H5NO/c6-2-4-1-5(4)3-7/h3,5,7H,1H2/t5-/m1/s1",89.46081,48.58021,
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14462,[O:1]=[C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[C@:5]1([C:6]#[N:7])[H:12])[H:8],[O:1]=[C:3]([C:4]([C:5](=[C:6]=[N+:7]=[C-:2][H:8])[H:12])([H:10])[H:11])[H:9],"InChI=1S/C5H5NO/c6-2-4-1-5(4)3-7/h3-5H,1H2/t4-,5+/m0/s1","InChI=1S/C5H5NO/c1-6-4-2-3-5-7/h1-2,5H,3H2",116.87308999999999,55.00966,
14463,[O:1]=[C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[C@:5]1([C:6]#[N:7])[H:12])[H:8],[O:1]=[C:6]1[C@@:5]2([H:12])[C@@:3]([H:9])([C:2]([H:8])=[N:7]1)[C:4]2([H:10])[H:11],"InChI=1S/C5H5NO/c6-2-4-1-5(4)3-7/h3-5H,1H2/t4-,5+/m0/s1","InChI=1S/C5H5NO/c7-5-4-1-3(4)2-6-5/h2-4H,1H2/t3-,4-/m1/s1",109.11333,-4.46209,
14464,[O:1]=[C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[C@:5]1([C:6]#[N:7])[H:12])[H:8],[O:1]([C+:2]([C@@:3]1([H:9])[C-:4]([H:10])[C@:5]1([C:6]#[N:7])[H:12])[H:8])[H:11],"InChI=1S/C5H5NO/c6-2-4-1-5(4)3-7/h3-5H,1H2/t4-,5+/m0/s1","InChI=1S/C5H5NO/c6-2-4-1-5(4)3-7/h1,3-5,7H/t4-,5+/m0/s1",91.39047,61.411519999999996,
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14467,[O:1]=[C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[C@:5]1([C:6]#[N:7])[H:12])[H:8],[O:1]=[C:2]1[C@@:3]2([H:9])[C:4]([H:10])([H:11])[C@@:5]2([H:12])[C-:6]=[N+:7]1[H:8],"InChI=1S/C5H5NO/c6-2-4-1-5(4)3-7/h3-5H,1H2/t4-,5+/m0/s1","InChI=1S/C5H5NO/c7-5-4-1-3(4)2-6-5/h3-4,6H,1H2/t3-,4-/m0/s1",68.27886,26.058889999999998,
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14470,[O:1]=[C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[C@:5]1([C:6]#[N:7])[H:12])[H:8],[O:1](/[C:2](=[C:3](\[C:5](=[C:4]([H:10])[H:11])[H:12])[H:9])[H:8])[C:6]#[N:7],"InChI=1S/C5H5NO/c6-2-4-1-5(4)3-7/h3-5H,1H2/t4-,5+/m0/s1","InChI=1S/C5H5NO/c1-2-3-4-7-5-6/h2-4H,1H2/b4-3-",65.11735999999999,19.67595,
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14474,[O:1]=[C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[C@:5]1([C:6]#[N:7])[H:12])[H:8],[O:1]([C:2][C@@:3]1([H:9])[C:4]([H:10])([H:11])[C@:5]1([C:6]#[N:7])[H:12])[H:8],"InChI=1S/C5H5NO/c6-2-4-1-5(4)3-7/h3-5H,1H2/t4-,5+/m0/s1","InChI=1S/C5H5NO/c6-2-4-1-5(4)3-7/h4-5,7H,1H2/t4-,5+/m0/s1",79.70792,52.23948,
14475,[O:1]=[C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[C@:5]1([C:6]#[N:7])[H:12])[H:8],[H:8][H:9].[O:1]=[C:2]=[C:3]1[C:4]([H:10])([H:11])[C@:5]1([C:6]#[N:7])[H:12],"InChI=1S/C5H5NO/c6-2-4-1-5(4)3-7/h3-5H,1H2/t4-,5+/m0/s1","InChI=1S/C5H3NO.H2/c6-2-4-1-5(4)3-7;/h4H,1H2;1H/t4-;/m0./s1",80.5014,35.553909999999995,
14476,[O:1]=[C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[C@:5]1([C:6]#[N:7])[H:12])[H:8],[O-:1][N+:7]#[C:6][C@@:5]1([H:12])[C@:3]([C:2][H:8])([H:9])[C:4]1([H:10])[H:11],"InChI=1S/C5H5NO/c6-2-4-1-5(4)3-7/h3-5H,1H2/t4-,5+/m0/s1","InChI=1S/C5H5NO/c1-4-2-5(4)3-6-7/h1,4-5H,2H2/t4-,5-/m0/s1",125.91873000000001,129.18264,
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14488,[O:1]=[C:2]([C@@:3]1([H:9])[C:4]([H:10])([H:11])[C@:5]1([C:6]#[N:7])[H:12])[H:8],[O:1]1[C:2]([H:8])=[C:3]([H:9])[C:4]([H:10])([H:11])[C@:5]2([H:12])[C:6]1=[N:7]2,"InChI=1S/C5H5NO/c6-2-4-1-5(4)3-7/h3-5H,1H2/t4-,5+/m0/s1","InChI=1S/C5H5NO/c1-2-4-5(6-4)7-3-1/h1,3-4H,2H2/t4-/m1/s1",103.38020999999999,100.40576999999999,
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14491,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C@@:5]2([H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15],[O:1]1[C:2](=[C:3]([H:8])[H:9])[C@:7]([C:5](=[C:4]([H:10])[H:11])[H:12])([H:15])[C:6]1([H:13])[H:14],"InChI=1S/C6H8O/c7-6-2-1-4-3-5(4)6/h4-5H,1-3H2/t4-,5+/m0/s1","InChI=1S/C6H8O/c1-3-6-4-7-5(6)2/h3,6H,1-2,4H2/t6-/m0/s1",79.58116,32.459270000000004,
14492,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C@@:5]2([H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15],[O:1]([C@@:2]12[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C@@:5]3([H:12])[C@:6]1([H:14])[C@@:7]23[H:15])[H:13],"InChI=1S/C6H8O/c7-6-2-1-4-3-5(4)6/h4-5H,1-3H2/t4-,5+/m0/s1","InChI=1S/C6H8O/c7-6-2-1-3-4(6)5(3)6/h3-5,7H,1-2H2/t3-,4+,5-,6-",100.03556,35.46313,
14493,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C@@:5]2([H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15],[O:1]1[C@:2]2([H:8])[C@@:3]1([H:9])[C:4]([H:10])([H:11])[C@@:5]1([H:12])[C:6]([H:13])([H:14])[C@@:7]21[H:15],"InChI=1S/C6H8O/c7-6-2-1-4-3-5(4)6/h4-5H,1-3H2/t4-,5+/m0/s1","InChI=1S/C6H8O/c1-3-2-5-6(7-5)4(1)3/h3-6H,1-2H2/t3-,4-,5-,6+/m1/s1",82.55673,28.456,
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14495,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C@@:5]2([H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15],[O:1]([C+:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C-:5]2[C:6]([H:13])([H:14])[C@@:7]12[H:15])[H:12],"InChI=1S/C6H8O/c7-6-2-1-4-3-5(4)6/h4-5H,1-3H2/t4-,5+/m0/s1","InChI=1S/C6H8O/c7-6-2-1-4-3-5(4)6/h5,7H,1-3H2/t5-/m1/s1",108.50898000000001,72.46656999999999,
14496,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C@@:5]2([H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15],[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5][C@:7]1([C:6]([H:12])([H:13])[H:14])[H:15],"InChI=1S/C6H8O/c7-6-2-1-4-3-5(4)6/h4-5H,1-3H2/t4-,5+/m0/s1","InChI=1S/C6H8O/c1-5-3-2-4-6(5)7/h5H,2,4H2,1H3/t5-/m1/s1",66.49534,68.73388,
14497,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C@@:5]2([H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15],[O-:1][C:7](=[C+:2][C:3]([C:4]([C:5](=[C:6]([H:13])[H:14])[H:12])([H:10])[H:11])([H:8])[H:9])[H:15],"InChI=1S/C6H8O/c7-6-2-1-4-3-5(4)6/h4-5H,1-3H2/t4-,5+/m0/s1","InChI=1S/C6H8O/c1-2-3-4-5-6-7/h2,6H,1,3-4H2",86.1036,79.13899,
14498,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C@@:5]2([H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15],[C:3](=[C:4]([H:10])[H:11])([H:8])[H:9].[C:5]1([H:12])=[C:7]([H:15])[C:6]1([H:13])[H:14].[O+:1]#[C-:2],"InChI=1S/C6H8O/c7-6-2-1-4-3-5(4)6/h4-5H,1-3H2/t4-,5+/m0/s1","InChI=1S/C3H4.C2H4.CO/c1-2-3-1;2*1-2/h1-2H,3H2;1-2H2;",83.80033,71.33195,
14499,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C@@:5]2([H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15],[O:1]=[C:2]([C:3]([C:4](=[C:5]([H:10])[H:12])[H:11])([H:8])[H:9])[C:7](=[C:6]([H:13])[H:14])[H:15],"InChI=1S/C6H8O/c7-6-2-1-4-3-5(4)6/h4-5H,1-3H2/t4-,5+/m0/s1","InChI=1S/C6H8O/c1-3-5-6(7)4-2/h3-4H,1-2,5H2",88.06631999999999,12.45172,
14500,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C@@:5]2([H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15],[C:3](=[C:4]([H:10])[H:11])([H:8])[H:9].[O:1]=[C:2]1[C@@:5]2([H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15],"InChI=1S/C6H8O/c7-6-2-1-4-3-5(4)6/h4-5H,1-3H2/t4-,5+/m0/s1","InChI=1S/C4H4O.C2H4/c5-4-2-1-3(2)4;1-2/h2-3H,1H2;1-2H2/t2-,3+;",97.00928,58.29384,
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14502,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C@@:5]2([H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15],[O:1]=[C:2]([C:3]([C:4]([C:5]1([H:12])[C:6]([H:14])=[C:7]1[H:15])([H:10])[H:11])([H:8])[H:9])[H:13],"InChI=1S/C6H8O/c7-6-2-1-4-3-5(4)6/h4-5H,1-3H2/t4-,5+/m0/s1","InChI=1S/C6H8O/c7-5-1-2-6-3-4-6/h3-6H,1-2H2",84.38305,48.40081,
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14507,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C@@:5]2([H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15],[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:6]([H:13])([H:14])[C@@:7]1([C:5][H:12])[H:15],"InChI=1S/C6H8O/c7-6-2-1-4-3-5(4)6/h4-5H,1-3H2/t4-,5+/m0/s1","InChI=1S/C6H8O/c1-5-3-2-4-6(5)7/h1,5H,2-4H2/t5-/m0/s1",109.89301,79.17371999999999,
14508,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C@@:5]2([H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15],[O:1]([C:2]1=[C:7]2[C@@:5]([H:12])([C:4]([H:10])([H:11])[C:3]1([H:8])[H:9])[C:6]2([H:13])[H:14])[H:15],"InChI=1S/C6H8O/c7-6-2-1-4-3-5(4)6/h4-5H,1-3H2/t4-,5+/m0/s1","InChI=1S/C6H8O/c7-6-2-1-4-3-5(4)6/h4,7H,1-3H2/t4-/m0/s1",71.6259,41.76813,ketoenol
14509,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C@@:5]2([H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15],[O:1]=[C:2]1[C:3]([H:8])([H:9])[C@@:4]2([H:11])[C@:5]([H:12])([C:6]2([H:13])[H:14])[C:7]1([H:10])[H:15],"InChI=1S/C6H8O/c7-6-2-1-4-3-5(4)6/h4-5H,1-3H2/t4-,5+/m0/s1","InChI=1S/C6H8O/c7-6-2-4-1-5(4)3-6/h4-5H,1-3H2/t4-,5+",94.23122,1.3209600000000001,
14510,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C@@:5]2([H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15],[H:9][H:12].[O-:1][C:2]1=[C:3]([H:8])[C:4]([H:10])([H:11])[C+:5]2[C:6]([H:13])([H:14])[C@@:7]12[H:15],"InChI=1S/C6H8O/c7-6-2-1-4-3-5(4)6/h4-5H,1-3H2/t4-,5+/m0/s1","InChI=1S/C6H6O.H2/c7-6-2-1-4-3-5(4)6;/h2,5H,1,3H2;1H/t5-;/m1./s1",101.70042,96.1529,
14511,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C@@:5]2([H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15],[H:9][H:10].[O:1]=[C:2]1[C:3]([H:8])=[C:4]([H:11])[C@@:5]2([H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15],"InChI=1S/C6H8O/c7-6-2-1-4-3-5(4)6/h4-5H,1-3H2/t4-,5+/m0/s1","InChI=1S/C6H6O.H2/c7-6-2-1-4-3-5(4)6;/h1-2,4-5H,3H2;1H/t4-,5+;/m0./s1",94.41218,26.7455,
14512,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C@@:5]2([H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15],[O:1]=[C:2]1[C:6]([H:13])([H:14])[C@:5]2([H:12])[C:4]([H:10])([H:11])[C:3]([H:8])([H:9])[C@:7]12[H:15],"InChI=1S/C6H8O/c7-6-2-1-4-3-5(4)6/h4-5H,1-3H2/t4-,5+/m0/s1","InChI=1S/C6H8O/c7-6-3-4-1-2-5(4)6/h4-5H,1-3H2/t4-,5-/m0/s1",84.51099,20.598589999999998,
14513,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C@@:5]2([H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15],[O:1]1[C:2](=[C:3]([H:8])[H:9])[C@:7]1([C:6]([C:5](=[C:4]([H:10])[H:11])[H:12])([H:13])[H:14])[H:15],"InChI=1S/C6H8O/c7-6-2-1-4-3-5(4)6/h4-5H,1-3H2/t4-,5+/m0/s1","InChI=1S/C6H8O/c1-3-4-6-5(2)7-6/h3,6H,1-2,4H2/t6-/m1/s1",69.45588000000001,40.73676,
14514,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C@@:5]2([H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15],[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5]([H:12])=[C:7]([H:15])[C:6]1([H:13])[H:14],"InChI=1S/C6H8O/c7-6-2-1-4-3-5(4)6/h4-5H,1-3H2/t4-,5+/m0/s1","InChI=1S/C6H8O/c7-6-4-2-1-3-5-6/h1-2H,3-5H2",75.60367,-7.63961,
14515,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C@@:5]2([H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15],[O:1]=[C:2]1[C@:6]2([H:14])[C@@:5]([C:4]([C:3]([H:8])([H:9])[H:13])([H:10])[H:11])([H:12])[C@:7]12[H:15],"InChI=1S/C6H8O/c7-6-2-1-4-3-5(4)6/h4-5H,1-3H2/t4-,5+/m0/s1","InChI=1S/C6H8O/c1-2-3-4-5(3)6(4)7/h3-5H,2H2,1H3/t3-,4+,5-",86.94100999999999,32.81435,
14516,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C@@:5]2([H:12])[C:6]([H:13])([H:14])[C@@:7]12[H:15],[H:11][H:12].[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])=[C:5]2[C:6]([H:13])([H:14])[C@@:7]12[H:15],"InChI=1S/C6H8O/c7-6-2-1-4-3-5(4)6/h4-5H,1-3H2/t4-,5+/m0/s1","InChI=1S/C6H6O.H2/c7-6-2-1-4-3-5(4)6;/h1,5H,2-3H2;1H/t5-;/m1./s1",94.22555,64.85063000000001,
14517,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C:4](=[O:5])[C@:6]1([C:7]([H:14])([H:15])[H:16])[H:13])([H:8])([H:9])[H:10],[C:1]([C@@:2]([N:3]=[C:4]=[O:5])([C:6](=[C:7]([H:14])[H:15])[H:13])[H:11])([H:8])([H:9])[H:10].[H:12][H:16],"InChI=1S/C5H9NO/c1-3-4(2)6-5(3)7/h3-4H,1-2H3,(H,6,7)/t3-,4+/m0/s1","InChI=1S/C5H7NO.H2/c1-3-5(2)6-4-7;/h3,5H,1H2,2H3;1H/t5-;/m1./s1",93.8498,22.626089999999998,
14518,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C:4](=[O:5])[C@:6]1([C:7]([H:14])([H:15])[H:16])[H:13])([H:8])([H:9])[H:10],[C-:4]#[O+:5].[C:1]([C:6](/[C:2](=[N:3]/[H:12])[H:11])([C:7]([H:14])([H:15])[H:16])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-3-4(2)6-5(3)7/h3-4H,1-2H3,(H,6,7)/t3-,4+/m0/s1","InChI=1S/C4H9N.CO/c1-4(2)3-5;1-2/h3-5H,1-2H3;/b5-3+;",86.91695,11.98817,
14519,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C:4](=[O:5])[C@:6]1([C:7]([H:14])([H:15])[H:16])[H:13])([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:6](\[C:7]([H:14])([H:15])[H:16])[H:13])[H:11])([H:8])([H:9])[H:10].[N:3](=[C:4]=[O:5])[H:12],"InChI=1S/C5H9NO/c1-3-4(2)6-5(3)7/h3-4H,1-2H3,(H,6,7)/t3-,4+/m0/s1","InChI=1S/C4H8.CHNO/c1-3-4-2;2-1-3/h3-4H,1-2H3;2H/b4-3-;",37.80263,5.472180000000001,
14520,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C:4](=[O:5])[C@:6]1([C:7]([H:14])([H:15])[H:16])[H:13])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C:4]([O:5][C:7]([H:14])([H:15])[H:16])=[C:6]1[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-3-4(2)6-5(3)7/h3-4H,1-2H3,(H,6,7)/t3-,4+/m0/s1","InChI=1S/C5H9NO/c1-4-3-5(6-4)7-2/h3-4,6H,1-2H3/t4-/m1/s1",96.63343,43.10117,ketoenol
14521,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C:4](=[O:5])[C@:6]1([C:7]([H:14])([H:15])[H:16])[H:13])([H:8])([H:9])[H:10],[C:1](=[C:2]([N:3]([C+:4]([O-:5])[C:6](=[C:7]([H:14])[H:15])[H:13])[H:12])[H:11])([H:9])[H:10].[H:8][H:16],"InChI=1S/C5H9NO/c1-3-4(2)6-5(3)7/h3-4H,1-2H3,(H,6,7)/t3-,4+/m0/s1","InChI=1S/C5H7NO.H2/c1-3-5(7)6-4-2;/h3-4,6H,1-2H2;1H",62.31751,31.54482,
14522,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C:4](=[O:5])[C@:6]1([C:7]([H:14])([H:15])[H:16])[H:13])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C:4]([O:5][H:13])=[C:6]1[C:7]([H:14])([H:15])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-3-4(2)6-5(3)7/h3-4H,1-2H3,(H,6,7)/t3-,4+/m0/s1","InChI=1S/C5H9NO/c1-3-4(2)6-5(3)7/h4,6-7H,1-2H3/t4-/m1/s1",82.04117,28.98964,ketoenol
14523,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C:4](=[O:5])[C@:6]1([C:7]([H:14])([H:15])[H:16])[H:13])([H:8])([H:9])[H:10],[C:1]([C@@:2]([N:3]([C:4](=[O:5])[H:14])[H:12])([C:6](=[C:7]([H:15])[H:16])[H:13])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-3-4(2)6-5(3)7/h3-4H,1-2H3,(H,6,7)/t3-,4+/m0/s1","InChI=1S/C5H9NO/c1-3-5(2)6-4-7/h3-5H,1H2,2H3,(H,6,7)/t5-/m1/s1",87.4803,7.619219999999999,
14524,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C:4](=[O:5])[C@:6]1([C:7]([H:14])([H:15])[H:16])[H:13])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C:4](=[O+:5][C-:7]([H:14])[H:15])[C:6]1([H:13])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-3-4(2)6-5(3)7/h3-4H,1-2H3,(H,6,7)/t3-,4+/m0/s1","InChI=1S/C5H9NO/c1-4-3-5(6-4)7-2/h4,6H,2-3H2,1H3/t4-/m1/s1",105.49436000000001,87.07633,
14525,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C:4](=[O:5])[C@:6]1([C:7]([H:14])([H:15])[H:16])[H:13])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@@:6]1([C:4](=[O:5])[H:13])[C:7]([H:14])([H:15])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-3-4(2)6-5(3)7/h3-4H,1-2H3,(H,6,7)/t3-,4+/m0/s1","InChI=1S/C5H9NO/c1-4-5(2,3-7)6-4/h3-4,6H,1-2H3/t4-,5-/m1/s1",82.12532,23.30304,
14526,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C:4](=[O:5])[C@:6]1([C:7]([H:14])([H:15])[H:16])[H:13])([H:8])([H:9])[H:10],[C:1]([C-:2]1[N:3]([H:12])[C+:4]([O:5][H:11])[C@:6]1([C:7]([H:14])([H:15])[H:16])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-3-4(2)6-5(3)7/h3-4H,1-2H3,(H,6,7)/t3-,4+/m0/s1","InChI=1S/C5H9NO/c1-3-4(2)6-5(3)7/h3,6-7H,1-2H3/t3-/m0/s1",100.69993000000001,69.41639,
14527,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C:4](=[O:5])[C@:6]1([C:7]([H:14])([H:15])[H:16])[H:13])([H:8])([H:9])[H:10],[C:1]([C-:2]([N:3]([C:4]([O:5][H:16])=[C:6]([C+:7]([H:14])[H:15])[H:13])[H:12])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-3-4(2)6-5(3)7/h3-4H,1-2H3,(H,6,7)/t3-,4+/m0/s1","InChI=1S/C5H9NO/c1-3-5(7)6-4-2/h3-4,6-7H,1H2,2H3",80.25022,48.81951,
14528,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C:4](=[O:5])[C@:6]1([C:7]([H:14])([H:15])[H:16])[H:13])([H:8])([H:9])[H:10],[C:1]([C@@:2]([N:3]([C:4][O:5][H:16])[H:12])([C:6](=[C:7]([H:14])[H:15])[H:13])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-3-4(2)6-5(3)7/h3-4H,1-2H3,(H,6,7)/t3-,4+/m0/s1","InChI=1S/C5H9NO/c1-3-5(2)6-4-7/h3,5-7H,1H2,2H3/t5-/m1/s1",85.44452,50.17132,
14529,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C:4](=[O:5])[C@:6]1([C:7]([H:14])([H:15])[H:16])[H:13])([H:8])([H:9])[H:10],[C:1](/[C:2](=[N:3]\[H:12])[C@@:6]([C:4](=[O:5])[H:11])([C:7]([H:14])([H:15])[H:16])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-3-4(2)6-5(3)7/h3-4H,1-2H3,(H,6,7)/t3-,4+/m0/s1","InChI=1S/C5H9NO/c1-4(3-7)5(2)6/h3-4,6H,1-2H3/b6-5+/t4-/m1/s1",86.47180999999999,9.06279,
14530,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C:4](=[O:5])[C@:6]1([C:7]([H:14])([H:15])[H:16])[H:13])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[N:3]=[C:4]([O:5][H:12])[C@:6]1([C:7]([H:14])([H:15])[H:16])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-3-4(2)6-5(3)7/h3-4H,1-2H3,(H,6,7)/t3-,4+/m0/s1","InChI=1S/C5H9NO/c1-3-4(2)6-5(3)7/h3-4H,1-2H3,(H,6,7)/t3-,4+/m0/s1",57.58172,15.947679999999998,ketoenol
14531,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C:4](=[O:5])[C@:6]1([C:7]([H:14])([H:15])[H:16])[H:13])([H:8])([H:9])[H:10],[C:1]1([H:9])([H:10])[C@@:2]2([H:11])[N:3]([H:12])[C@:4]1([O:5][H:8])[C@:6]2([C:7]([H:14])([H:15])[H:16])[H:13],"InChI=1S/C5H9NO/c1-3-4(2)6-5(3)7/h3-4H,1-2H3,(H,6,7)/t3-,4+/m0/s1","InChI=1S/C5H9NO/c1-3-4-2-5(3,7)6-4/h3-4,6-7H,2H2,1H3/t3-,4+,5+/m0/s1",106.90165,58.65416,
14532,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C:4](=[O:5])[C@:6]1([C:7]([H:14])([H:15])[H:16])[H:13])([H:8])([H:9])[H:10],[C-:2]1=[N+:3]([H:12])[C:4](=[O:5])[C@:6]1([C:7]([H:14])([H:15])[H:16])[H:13].[C:1]([H:8])([H:9])([H:10])[H:11],"InChI=1S/C5H9NO/c1-3-4(2)6-5(3)7/h3-4H,1-2H3,(H,6,7)/t3-,4+/m0/s1","InChI=1S/C4H5NO.CH4/c1-3-2-5-4(3)6;/h3,5H,1H3;1H4/t3-;/m0./s1",75.47676,60.6078,
14533,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C:4](=[O:5])[C@:6]1([C:7]([H:14])([H:15])[H:16])[H:13])([H:8])([H:9])[H:10],[C:1]([C@@:2]([N:3]=[C:4]=[O:5])([C:6]([C:7]([H:14])([H:15])[H:16])([H:12])[H:13])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-3-4(2)6-5(3)7/h3-4H,1-2H3,(H,6,7)/t3-,4+/m0/s1","InChI=1S/C5H9NO/c1-3-5(2)6-4-7/h5H,3H2,1-2H3/t5-/m1/s1",87.96318000000001,-9.910739999999999,
14534,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C:4](=[O:5])[C@:6]1([C:7]([H:14])([H:15])[H:16])[H:13])([H:8])([H:9])[H:10],[C:1]([C-:2]([N:3]([C:4]1=[O+:5][C@:6]1([C:7]([H:14])([H:15])[H:16])[H:13])[H:12])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-3-4(2)6-5(3)7/h3-4H,1-2H3,(H,6,7)/t3-,4+/m0/s1","InChI=1S/C5H9NO/c1-3-6-5-4(2)7-5/h3-4,6H,1-2H3/t4-/m0/s1",86.48498000000001,78.44408,
14535,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C:4](=[O:5])[C@:6]1([C:7]([H:14])([H:15])[H:16])[H:13])([H:8])([H:9])[H:10],[C:1]([C:2]([N:3]([C:4]([O-:5])=[C+:6][C:7]([H:14])([H:15])[H:16])[H:12])([H:11])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-3-4(2)6-5(3)7/h3-4H,1-2H3,(H,6,7)/t3-,4+/m0/s1","InChI=1S/C5H9NO/c1-3-5(7)6-4-2/h6H,4H2,1-2H3",66.91586,65.28935,
14536,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C:4](=[O:5])[C@:6]1([C:7]([H:14])([H:15])[H:16])[H:13])([H:8])([H:9])[H:10],[C:1]([C:2][C@@:6]([C:4]([N:3]([H:11])[H:12])=[O:5])([C:7]([H:14])([H:15])[H:16])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-3-4(2)6-5(3)7/h3-4H,1-2H3,(H,6,7)/t3-,4+/m0/s1","InChI=1S/C5H9NO/c1-3-4(2)5(6)7/h4H,1-2H3,(H2,6,7)/t4-/m0/s1",64.20033000000001,64.74441999999999,
14537,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C:4](=[O:5])[C@:6]1([C:7]([H:14])([H:15])[H:16])[H:13])([H:8])([H:9])[H:10],[C:1]1([H:9])([H:10])[C@:2]([N:3]([C:4](=[O:5])[H:8])[H:12])([H:11])[C@:6]1([C:7]([H:14])([H:15])[H:16])[H:13],"InChI=1S/C5H9NO/c1-3-4(2)6-5(3)7/h3-4H,1-2H3,(H,6,7)/t3-,4+/m0/s1","InChI=1S/C5H9NO/c1-4-2-5(4)6-3-7/h3-5H,2H2,1H3,(H,6,7)/t4-,5+/m0/s1",90.14543,11.85395,
14538,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C:4](=[O:5])[C@:6]1([C:7]([H:14])([H:15])[H:16])[H:13])([H:8])([H:9])[H:10],[C:1]([C:6]([C:4]([N+:3](=[C-:2][H:11])[H:12])=[O:5])([C:7]([H:14])([H:15])[H:16])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-3-4(2)6-5(3)7/h3-4H,1-2H3,(H,6,7)/t3-,4+/m0/s1","InChI=1S/C5H9NO/c1-4(2)5(7)6-3/h3-4,6H,1-2H3",110.35543999999999,47.2803,
14539,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C:4](=[O:5])[C@:6]1([C:7]([H:14])([H:15])[H:16])[H:13])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:6]([C:4]1=[N:3][O:5]1)([C:7]([H:14])([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-3-4(2)6-5(3)7/h3-4H,1-2H3,(H,6,7)/t3-,4+/m0/s1","InChI=1S/C5H9NO/c1-3-4(2)5-6-7-5/h4H,3H2,1-2H3/t4-/m0/s1",67.87082,64.91882,
14540,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C:4](=[O:5])[C@:6]1([C:7]([H:14])([H:15])[H:16])[H:13])([H:8])([H:9])[H:10],[C:1](/[C:2](=[N:3]/[H:12])[H:11])([H:8])([H:9])[H:10].[C:4](=[O:5])=[C:6]([C:7]([H:14])([H:15])[H:16])[H:13],"InChI=1S/C5H9NO/c1-3-4(2)6-5(3)7/h3-4H,1-2H3,(H,6,7)/t3-,4+/m0/s1","InChI=1S/C3H4O.C2H5N/c1-2-3-4;1-2-3/h2H,1H3;2-3H,1H3/b;3-2+",43.08045,30.0961,
14541,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C:4](=[O:5])[C@:6]1([C:7]([H:14])([H:15])[H:16])[H:13])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:6]1([C:4](=[O:5])[C:7]([H:14])([H:15])[H:16])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-3-4(2)6-5(3)7/h3-4H,1-2H3,(H,6,7)/t3-,4+/m0/s1","InChI=1S/C5H9NO/c1-3-5(6-3)4(2)7/h3,5-6H,1-2H3/t3-,5-/m1/s1",94.21195999999999,25.21123,
14542,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C:4](=[O:5])[C@:6]1([C:7]([H:14])([H:15])[H:16])[H:13])([H:8])([H:9])[H:10],[C:1](/[C:2](=[N+:3](\[C:4]([O-:5])=[C:6]([C:7]([H:14])([H:15])[H:16])[H:13])[H:12])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-3-4(2)6-5(3)7/h3-4H,1-2H3,(H,6,7)/t3-,4+/m0/s1","InChI=1S/C5H9NO/c1-3-5(7)6-4-2/h3-4,7H,1-2H3/b5-3?,6-4-",43.098240000000004,32.19737,
14543,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C:4](=[O:5])[C@:6]1([C:7]([H:14])([H:15])[H:16])[H:13])([H:8])([H:9])[H:10],[C:1]([C@@:2]([N:3]([H:12])[H:16])([C@@:6]1([H:13])[C:4](=[O:5])[C:7]1([H:14])[H:15])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-3-4(2)6-5(3)7/h3-4H,1-2H3,(H,6,7)/t3-,4+/m0/s1","InChI=1S/C5H9NO/c1-3(6)4-2-5(4)7/h3-4H,2,6H2,1H3/t3-,4+/m1/s1",84.28407,36.61574,
14544,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C:4](=[O:5])[C@:6]1([C:7]([H:14])([H:15])[H:16])[H:13])([H:8])([H:9])[H:10],[C:1]([O+:5]=[C:4]1[N:3]([H:12])[C-:2]([H:11])[C@@:6]1([C:7]([H:14])([H:15])[H:16])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-3-4(2)6-5(3)7/h3-4H,1-2H3,(H,6,7)/t3-,4+/m0/s1","InChI=1S/C5H9NO/c1-4-3-6-5(4)7-2/h3-4,6H,1-2H3/t4-/m0/s1",103.96825,82.46616999999999,
14545,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C:4](=[O:5])[C@:6]1([C:7]([H:14])([H:15])[H:16])[H:13])([H:8])([H:9])[H:10],[C:1]([C:2]1=[N:3][C:4](=[O:5])[C@:6]1([C:7]([H:14])([H:15])[H:16])[H:13])([H:8])([H:9])[H:10].[H:11][H:12],"InChI=1S/C5H9NO/c1-3-4(2)6-5(3)7/h3-4H,1-2H3,(H,6,7)/t3-,4+/m0/s1","InChI=1S/C5H7NO.H2/c1-3-4(2)6-5(3)7;/h3H,1-2H3;1H/t3-;/m0./s1",94.68983,35.25177,
14546,[C:1]([C@@:2]1([H:11])[O:3][C@@:4]2([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[O:3][C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[C@@:7]1([C:4][H:12])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-5-2-3-6(5)7-4/h4-6H,2-3H2,1H3/t4-,5+,6+/m1/s1","InChI=1S/C6H10O/c1-5-3-4-7-6(5)2/h1,5-6H,3-4H2,2H3/t5-,6+/m0/s1",93.98167,71.62666999999999,
14547,[C:1]([C@@:2]1([H:11])[O:3][C@@:4]2([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[O:3][C@:4]([C:5][H:13])([H:12])[C@:7]1([C:6]([H:14])([H:15])[H:16])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-5-2-3-6(5)7-4/h4-6H,2-3H2,1H3/t4-,5+,6+/m1/s1","InChI=1S/C6H10O/c1-4-5(2)7-6(4)3/h2,4-6H,1,3H3/t4-,5+,6-/m1/s1",74.69761,71.84724,
14548,[C:1]([C@@:2]1([H:11])[O:3][C@@:4]2([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C-:2]1=[O+:3][C@@:4]2([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17].[C:1]([H:8])([H:9])([H:10])[H:11],"InChI=1S/C6H10O/c1-4-5-2-3-6(5)7-4/h4-6H,2-3H2,1H3/t4-,5+,6+/m1/s1","InChI=1S/C5H6O.CH4/c1-2-5-4(1)3-6-5;/h4-5H,1-2H2;1H4/t4-,5-;/m0./s1",74.54354000000001,60.157759999999996,
14549,[C:1]([C@@:2]1([H:11])[O:3][C@@:4]2([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[O:3][C@:4]([C:5]([C:6]([H:15])([H:16])[H:17])([H:13])[H:14])([H:12])[C:7]1)([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-5-2-3-6(5)7-4/h4-6H,2-3H2,1H3/t4-,5+,6+/m1/s1","InChI=1S/C6H10O/c1-3-6-4-5(2)7-6/h5-6H,3H2,1-2H3/t5-,6+/m1/s1",69.0014,65.27656,
14550,[C:1]([C@@:2]1([H:11])[O:3][C@@:4]2([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:7](\[C:6]([C:5]([C:4](=[O:3])[H:12])([H:13])[H:14])([H:15])[H:16])[H:17])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-5-2-3-6(5)7-4/h4-6H,2-3H2,1H3/t4-,5+,6+/m1/s1","InChI=1S/C6H10O/c1-2-3-4-5-6-7/h2-3,6H,4-5H2,1H3/b3-2-",41.335770000000004,-24.96435,
14551,[C:1]([C@@:2]1([H:11])[O:3][C@@:4]2([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1](=[C:2]([C:7]([C:6]([C:5]([C:4](=[O:3])[H:12])([H:13])[H:14])([H:15])[H:16])([H:10])[H:17])[H:11])([H:8])[H:9],"InChI=1S/C6H10O/c1-4-5-2-3-6(5)7-4/h4-6H,2-3H2,1H3/t4-,5+,6+/m1/s1","InChI=1S/C6H10O/c1-2-3-4-5-6-7/h2,6H,1,3-5H2",84.83402,-22.80752,
14552,[C:1]([C@@:2]1([H:11])[O:3][C@@:4]2([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[O:3][C@:4]([C:5]([C:6][H:16])([H:13])[H:14])([H:12])[C:7]1([H:15])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-5-2-3-6(5)7-4/h4-6H,2-3H2,1H3/t4-,5+,6+/m1/s1","InChI=1S/C6H10O/c1-3-6-4-5(2)7-6/h1,5-6H,3-4H2,2H3/t5-,6+/m1/s1",77.23548000000001,74.67777,
14553,[C:1]([C@@:2]1([H:11])[O:3][C@@:4]2([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C-:2]1[O+:3]=[C:4]2[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10].[H:11][H:12],"InChI=1S/C6H10O/c1-4-5-2-3-6(5)7-4/h4-6H,2-3H2,1H3/t4-,5+,6+/m1/s1","InChI=1S/C6H8O.H2/c1-4-5-2-3-6(5)7-4;/h5H,2-3H2,1H3;1H/t5-;/m0./s1",75.82984,70.72995999999999,
14554,[C:1]([C@@:2]1([H:11])[O:3][C@@:4]2([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([O:3][C@@:4]1([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[C@:7]1([C:2][H:11])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-5-2-3-6(5)7-4/h4-6H,2-3H2,1H3/t4-,5+,6+/m1/s1","InChI=1S/C6H10O/c1-5-3-4-6(5)7-2/h1,5-6H,3-4H2,2H3/t5-,6+/m1/s1",113.30696999999999,87.3454,
14555,[C:1]([C@@:2]1([H:11])[O:3][C@@:4]2([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[O:3][C@:4]([C:5]([H:13])([H:14])[H:15])([H:12])[C@:7]1([C:6][H:16])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-5-2-3-6(5)7-4/h4-6H,2-3H2,1H3/t4-,5+,6+/m1/s1","InChI=1S/C6H10O/c1-4-5(2)7-6(4)3/h1,4-6H,2-3H3/t4-,5+,6-",74.96687,73.68556,
14556,[C:1]([C@@:2]1([H:11])[O:3][C@@:4]2([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:17])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[C:7]1)([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-5-2-3-6(5)7-4/h4-6H,2-3H2,1H3/t4-,5+,6+/m1/s1","InChI=1S/C6H10O/c1-6-4-2-3-5-7-6/h6H,2-3,5H2,1H3/t6-/m1/s1",68.64278,48.55173,
14557,[C:1]([C@@:2]1([H:11])[O:3][C@@:4]2([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]([O+:3]=[C-:4][H:12])([C:7]1([H:17])[C:5]([H:13])([H:14])[C:6]1([H:15])[H:16])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-5-2-3-6(5)7-4/h4-6H,2-3H2,1H3/t4-,5+,6+/m1/s1","InChI=1S/C6H10O/c1-5(7-2)6-3-4-6/h2,5-6H,3-4H2,1H3/t5-/m1/s1",80.54514,49.47906,
14558,[C:1]([C@@:2]1([H:11])[O:3][C@@:4]2([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])=[C:7]1[H:17])([H:8])([H:9])[H:10].[C:5](=[C:6]([H:15])[H:16])([H:13])[H:14],"InChI=1S/C6H10O/c1-4-5-2-3-6(5)7-4/h4-6H,2-3H2,1H3/t4-,5+,6+/m1/s1","InChI=1S/C4H6O.C2H4/c1-4-2-3-5-4;1-2/h2-4H,1H3;1-2H2/t4-;/m1./s1",96.0987,21.015520000000002,
14559,[C:1]([C@@:2]1([H:11])[O:3][C@@:4]2([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C:2](=[O:3])[H:11])([H:8])([H:9])[H:10].[C:4]1([H:12])=[C:7]([H:17])[C:6]([H:15])([H:16])[C:5]1([H:13])[H:14],"InChI=1S/C6H10O/c1-4-5-2-3-6(5)7-4/h4-6H,2-3H2,1H3/t4-,5+,6+/m1/s1","InChI=1S/C4H6.C2H4O/c1-2-4-3-1;1-2-3/h1-2H,3-4H2;2H,1H3",51.02697,5.15134,2+2_cycloaddition
14560,[C:1]([C@@:2]1([H:11])[O:3][C@@:4]2([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]([O:3][C:4](=[C:5]([H:13])[H:14])[H:12])([C:7](=[C:6]([H:15])[H:16])[H:17])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-5-2-3-6(5)7-4/h4-6H,2-3H2,1H3/t4-,5+,6+/m1/s1","InChI=1S/C6H10O/c1-4-6(3)7-5-2/h4-6H,1-2H2,3H3/t6-/m1/s1",80.5428,-8.15361,
14561,[C:1]([C@@:2]1([H:11])[O:3][C@@:4]2([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[O:3][C@@:4]2([H:12])[C:5]([H:13])=[C:6]([H:15])[C@@:7]12[H:17])([H:8])([H:9])[H:10].[H:14][H:16],"InChI=1S/C6H10O/c1-4-5-2-3-6(5)7-4/h4-6H,2-3H2,1H3/t4-,5+,6+/m1/s1","InChI=1S/C6H8O.H2/c1-4-5-2-3-6(5)7-4;/h2-6H,1H3;1H/t4-,5+,6+;/m1./s1",110.45043000000001,33.950520000000004,
14562,[C:1]([C@@:2]1([H:11])[O:3][C@@:4]2([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C:2][H:11])([H:8])([H:9])[H:10].[O:3]1[C@@:4]2([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17],"InChI=1S/C6H10O/c1-4-5-2-3-6(5)7-4/h4-6H,2-3H2,1H3/t4-,5+,6+/m1/s1","InChI=1S/C4H6O.C2H4/c1-2-4-3(1)5-4;1-2/h3-4H,1-2H2;1H,2H3/t3-,4+;",107.93382,110.15598,
14563,[O:1](/[N:2]=[C:3]1/[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C@:6]1([O:7][H:14])[H:13])[H:8],[O:1]([N:2]([C:3]1=[C:4]([H:10])[C:5]([H:11])([H:12])[C@:6]1([O:7][H:14])[H:13])[H:9])[H:8],"InChI=1S/C4H7NO2/c6-4-2-1-3(4)5-7/h4,6-7H,1-2H2/b5-3-/t4-/m1/s1","InChI=1S/C4H7NO2/c6-4-2-1-3(4)5-7/h1,4-7H,2H2/t4-/m1/s1",74.29945,16.82694,
14564,[O:1](/[N:2]=[C:3]1/[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C@:6]1([O:7][H:14])[H:13])[H:8],[O:1]=[N:2][C:3]1=[C:6]([H:13])[C:5]([H:11])([H:12])[C:4]1([H:9])[H:10].[O:7]([H:8])[H:14],"InChI=1S/C4H7NO2/c6-4-2-1-3(4)5-7/h4,6-7H,1-2H2/b5-3-/t4-/m1/s1","InChI=1S/C4H5NO.H2O/c6-5-4-2-1-3-4;/h2H,1,3H2;1H2",36.15388,36.126940000000005,
14565,[O:1](/[N:2]=[C:3]1/[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C@:6]1([O:7][H:14])[H:13])[H:8],[O:1]([N:2]1[C:3]([C@@:6]([C:5]([H:10])([H:11])[H:12])([O:7][H:14])[H:13])=[C:4]1[H:9])[H:8],"InChI=1S/C4H7NO2/c6-4-2-1-3(4)5-7/h4,6-7H,1-2H2/b5-3-/t4-/m1/s1","InChI=1S/C4H7NO2/c1-3(6)4-2-5(4)7/h2-3,6-7H,1H3/t3-,5?/m1/s1",69.04579,45.45042,
14566,[O:1](/[N:2]=[C:3]1/[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C@:6]1([O:7][H:14])[H:13])[H:8],[O-:1][N:2]([C+:3]1[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C@:6]1([O:7][H:14])[H:13])[H:8],"InChI=1S/C4H7NO2/c6-4-2-1-3(4)5-7/h4,6-7H,1-2H2/b5-3-/t4-/m1/s1","InChI=1S/C4H7NO2/c6-4-2-1-3(4)5-7/h4-6H,1-2H2/t4-/m1/s1",47.61524,13.790610000000001,
14567,[O:1](/[N:2]=[C:3]1/[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C@:6]1([O:7][H:14])[H:13])[H:8],[O:1]([N:2]1/[C:3](=[C:6](\[O:7][H:14])[H:13])[C:4]([H:9])([H:10])[C:5]1([H:11])[H:12])[H:8],"InChI=1S/C4H7NO2/c6-4-2-1-3(4)5-7/h4,6-7H,1-2H2/b5-3-/t4-/m1/s1","InChI=1S/C4H7NO2/c6-3-4-1-2-5(4)7/h3,6-7H,1-2H2/b4-3-",44.735640000000004,12.6842,
14568,[O:1](/[N:2]=[C:3]1/[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C@:6]1([O:7][H:14])[H:13])[H:8],[H:10][H:13].[O:1](/[N:2]=[C:3]1/[C@@:4]2([H:9])[C:5]([H:11])([H:12])[C@@:6]12[O:7][H:14])[H:8],"InChI=1S/C4H7NO2/c6-4-2-1-3(4)5-7/h4,6-7H,1-2H2/b5-3-/t4-/m1/s1","InChI=1S/C4H5NO2.H2/c6-4-1-2(4)3(4)5-7;/h2,6-7H,1H2;1H/b5-3-;/t2-,4+;/m1./s1",87.30937,53.329919999999994,
14569,[O:1](/[N:2]=[C:3]1/[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C@:6]1([O:7][H:14])[H:13])[H:8],[O:1]([N:2]([C:3]1=[C:6]([O:7][H:14])[C:5]([H:11])([H:12])[C:4]1([H:9])[H:10])[H:13])[H:8],"InChI=1S/C4H7NO2/c6-4-2-1-3(4)5-7/h4,6-7H,1-2H2/b5-3-/t4-/m1/s1","InChI=1S/C4H7NO2/c6-4-2-1-3(4)5-7/h5-7H,1-2H2",64.105,10.62779,
14570,[O:1](/[N:2]=[C:3]1/[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C@:6]1([O:7][H:14])[H:13])[H:8],[O:1]([N:2]1[C:3]2([C:4]([H:9])([H:10])[C:5]2([H:11])[H:12])[C@:6]1([O:7][H:14])[H:13])[H:8],"InChI=1S/C4H7NO2/c6-4-2-1-3(4)5-7/h4,6-7H,1-2H2/b5-3-/t4-/m1/s1","InChI=1S/C4H7NO2/c6-3-4(1-2-4)5(3)7/h3,6-7H,1-2H2/t3-,5?/m1/s1",46.740109999999994,33.56907,
14571,[O:1](/[N:2]=[C:3]1/[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C@:6]1([O:7][H:14])[H:13])[H:8],[O:1](/[N:2]=[C:3](/[C:4]([C:5]([H:11])([H:12])[H:14])([H:9])[H:10])[C:6](=[O:7])[H:13])[H:8],"InChI=1S/C4H7NO2/c6-4-2-1-3(4)5-7/h4,6-7H,1-2H2/b5-3-/t4-/m1/s1","InChI=1S/C4H7NO2/c1-2-4(3-6)5-7/h3,7H,2H2,1H3/b5-4-",70.33283,-15.038889999999999,
14572,[O:1](/[N:2]=[C:3]1/[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C@:6]1([O:7][H:14])[H:13])[H:8],[O:1]([N:2]([C@:3]12[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C@@:6]1([H:13])[O:7]2)[H:14])[H:8],"InChI=1S/C4H7NO2/c6-4-2-1-3(4)5-7/h4,6-7H,1-2H2/b5-3-/t4-/m1/s1","InChI=1S/C4H7NO2/c6-5-4-2-1-3(4)7-4/h3,5-6H,1-2H2/t3-,4+/m1/s1",72.59291999999999,30.74125,
14573,[O:1](/[N:2]=[C:3]1/[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C@:6]1([O:7][H:14])[H:13])[H:8],[O:1](/[N:2]=[C:3]1/[C:4]([H:9])([H:10])[C:5]([H:12])=[C:6]1[H:13])[H:8].[O:7]([H:11])[H:14],"InChI=1S/C4H7NO2/c6-4-2-1-3(4)5-7/h4,6-7H,1-2H2/b5-3-/t4-/m1/s1","InChI=1S/C4H5NO.H2O/c6-5-4-2-1-3-4;/h1-2,6H,3H2;1H2/b5-4+;",63.80888,16.40782,"1,3_Insertion_ROR"
14574,[O:1](/[N:2]=[C:3]1/[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C@:6]1([O:7][H:14])[H:13])[H:8],[H:8][H:11].[O:1]=[N:2][C@@:3]12[C:4]([H:9])([H:10])[C@:5]1([H:12])[C@:6]2([O:7][H:14])[H:13],"InChI=1S/C4H7NO2/c6-4-2-1-3(4)5-7/h4,6-7H,1-2H2/b5-3-/t4-/m1/s1","InChI=1S/C4H5NO2.H2/c6-3-2-1-4(2,3)5-7;/h2-3,6H,1H2;1H/t2-,3-,4+;/m1./s1",87.65086,60.292519999999996,
14575,[O:1](/[N:2]=[C:3]1/[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C@:6]1([O:7][H:14])[H:13])[H:8],[C:4](=[C:5]([H:11])[H:12])([H:9])[H:10].[O:1]([N:2]=[C:3]=[C:6]([O:7][H:14])[H:13])[H:8],"InChI=1S/C4H7NO2/c6-4-2-1-3(4)5-7/h4,6-7H,1-2H2/b5-3-/t4-/m1/s1","InChI=1S/C2H3NO2.C2H4/c4-2-1-3-5;1-2/h2,4-5H;1-2H2",49.17625,35.53374,
14576,[O:1](/[N:2]=[C:3]1/[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C@:6]1([O:7][H:14])[H:13])[H:8],[O-:1][N+:2]#[C:3][C:4]([C:5]([C:6]([O:7][H:14])([H:8])[H:13])([H:11])[H:12])([H:9])[H:10],"InChI=1S/C4H7NO2/c6-4-2-1-3(4)5-7/h4,6-7H,1-2H2/b5-3-/t4-/m1/s1","InChI=1S/C4H7NO2/c6-4-2-1-3-5-7/h6H,1-2,4H2",53.26278000000001,3.8256,
14577,[O:1](/[N:2]=[C:3]1/[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C@:6]1([O:7][H:14])[H:13])[H:8],[O:1]=[N:2][C@:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C@:6]1([O:7][H:14])[H:13],"InChI=1S/C4H7NO2/c6-4-2-1-3(4)5-7/h4,6-7H,1-2H2/b5-3-/t4-/m1/s1","InChI=1S/C4H7NO2/c6-4-2-1-3(4)5-7/h3-4,6H,1-2H2/t3-,4-/m1/s1",60.73796,20.49093,ketoenol
14578,[O:1](/[N:2]=[C:3]1/[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C@:6]1([O:7][H:14])[H:13])[H:8],[O:1](/[N:2]=[C:3](/[C:4]([C:5]([C:6][H:13])([H:11])[H:12])([H:9])[H:10])[O:7][H:14])[H:8],"InChI=1S/C4H7NO2/c6-4-2-1-3(4)5-7/h4,6-7H,1-2H2/b5-3-/t4-/m1/s1","InChI=1S/C4H7NO2/c1-2-3-4(6)5-7/h1,7H,2-3H2,(H,5,6)",74.32637,68.2541,
14579,[O:1](/[N:2]=[C:3]1/[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C@:6]1([O:7][H:14])[H:13])[H:8],[O:1]([N-:2][C:3](=[C:4]([H:9])[H:10])[C:5]([C+:6]([O:7][H:14])[H:13])([H:11])[H:12])[H:8],"InChI=1S/C4H7NO2/c6-4-2-1-3(4)5-7/h4,6-7H,1-2H2/b5-3-/t4-/m1/s1","InChI=1S/C4H7NO2/c1-4(5-7)2-3-6/h3,6-7H,1-2H2",63.977990000000005,34.38925,
14580,[O:1](/[N:2]=[C:3]1/[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C@:6]1([O:7][H:14])[H:13])[H:8],[H:10][H:12].[O:1](/[N:2]=[C:3]1/[C:4]([H:9])=[C:5]([H:11])[C@:6]1([O:7][H:14])[H:13])[H:8],"InChI=1S/C4H7NO2/c6-4-2-1-3(4)5-7/h4,6-7H,1-2H2/b5-3-/t4-/m1/s1","InChI=1S/C4H5NO2.H2/c6-4-2-1-3(4)5-7;/h1-2,4,6-7H;1H/b5-3-;/t4-;/m1./s1",103.11333,33.61557,
14581,[O:1](/[N:2]=[C:3]1/[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C@:6]1([O:7][H:14])[H:13])[H:8],[N:2]#[C:3][C:4]([C:5]([C:6](=[O:7])[H:13])([H:11])[H:12])([H:9])[H:10].[O:1]([H:8])[H:14],"InChI=1S/C4H7NO2/c6-4-2-1-3(4)5-7/h4,6-7H,1-2H2/b5-3-/t4-/m1/s1","InChI=1S/C4H5NO.H2O/c5-3-1-2-4-6;/h4H,1-2H2;1H2",20.9358,-37.972390000000004,
14582,[O:1](/[N:2]=[C:3]1/[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C@:6]1([O:7][H:14])[H:13])[H:8],[H:8][H:9].[O:1]=[N:2][C:3]1=[C:4]([H:10])[C:5]([H:11])([H:12])[C@:6]1([O:7][H:14])[H:13],"InChI=1S/C4H7NO2/c6-4-2-1-3(4)5-7/h4,6-7H,1-2H2/b5-3-/t4-/m1/s1","InChI=1S/C4H5NO2.H2/c6-4-2-1-3(4)5-7;/h1,4,6H,2H2;1H/t4-;/m1./s1",87.19845,50.06445,
14583,[O:1](/[N:2]=[C:3]1/[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C@:6]1([O:7][H:14])[H:13])[H:8],[H:11][H:14].[O:1](/[N:2]=[C:3]1/[C:4]([H:9])([H:10])[C:5]([H:12])([H:13])[C:6]1=[O:7])[H:8],"InChI=1S/C4H7NO2/c6-4-2-1-3(4)5-7/h4,6-7H,1-2H2/b5-3-/t4-/m1/s1","InChI=1S/C4H5NO2.H2/c6-4-2-1-3(4)5-7;/h7H,1-2H2;1H/b5-3-;",83.29822,15.07042,
14584,[O:1](/[N:2]=[C:3]1/[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C@:6]1([O:7][H:14])[H:13])[H:8],[O:1](/[N:2]=[C:3](/[C:4]([C:5]([H:11])([H:12])[H:13])([H:9])[H:10])[C:6][O:7][H:14])[H:8],"InChI=1S/C4H7NO2/c6-4-2-1-3(4)5-7/h4,6-7H,1-2H2/b5-3-/t4-/m1/s1","InChI=1S/C4H7NO2/c1-2-4(3-6)5-7/h6-7H,2H2,1H3/b5-4-",54.45607,42.418409999999994,
14585,[O:1](/[N:2]=[C:3]1/[C:4]([H:9])([H:10])[C:5]([H:11])([H:12])[C@:6]1([O:7][H:14])[H:13])[H:8],[O:1]([N:2]=[C:3]=[C:4]([C:5]([C:6]([O:7][H:14])([H:9])[H:13])([H:11])[H:12])[H:10])[H:8],"InChI=1S/C4H7NO2/c6-4-2-1-3(4)5-7/h4,6-7H,1-2H2/b5-3-/t4-/m1/s1","InChI=1S/C4H7NO2/c6-4-2-1-3-5-7/h1,6-7H,2,4H2",72.55558,11.63809,
14586,[C:1](#[C:2][c:3]1[c:4]([H:9])[c:5]([H:10])[c:6]([H:11])[o:7]1)[H:8],[C:1]1([H:8])=[C:2]2[C-:3]=[O+:7][C:6]([H:11])=[C:5]([H:10])[C@:4]12[H:9],"InChI=1S/C6H4O/c1-2-6-4-3-5-7-6/h1,3-5H","InChI=1S/C6H4O/c1-2-7-4-6-3-5(1)6/h1-3,5H/t5-/m1/s1",89.59861,81.57244,
14587,[C:1](#[C:2][c:3]1[c:4]([H:9])[c:5]([H:10])[c:6]([H:11])[o:7]1)[H:8],[C:1]1([H:8])=[C:2]=[C:3]=[C:4]([H:9])[C:5]([H:10])=[C:6]([H:11])[O:7]1,"InChI=1S/C6H4O/c1-2-6-4-3-5-7-6/h1,3-5H","InChI=1S/C6H4O/c1-2-4-6-7-5-3-1/h1,3,5-6H",70.14981,54.944030000000005,
14588,[C:1](#[C:2][c:3]1[c:4]([H:9])[c:5]([H:10])[c:6]([H:11])[o:7]1)[H:8],[C-:1](=[C:2]1[C-:3]=[O+:7][C:6]([H:11])=[C:5]([H:10])[C+:4]1[H:9])[H:8],"InChI=1S/C6H4O/c1-2-6-4-3-5-7-6/h1,3-5H",InChI=1S/C6H4O/c1-6-3-2-4-7-5-6/h1-4H,100.29554,107.98795,
14589,[C:1](#[C:2][c:3]1[c:4]([H:9])[c:5]([H:10])[c:6]([H:11])[o:7]1)[H:8],[C@:1]12([H:8])[C:3](=[C:2])[C@@:4]1([H:9])[C@:5]2([C:6](=[O:7])[H:11])[H:10],"InChI=1S/C6H4O/c1-2-6-4-3-5-7-6/h1,3-5H","InChI=1S/C6H4O/c1-3-5-4(2-7)6(3)5/h2,4-6H/t4-,5+,6-",109.02205,105.04496,
14590,[C:1](#[C:2][c:3]1[c:4]([H:9])[c:5]([H:10])[c:6]([H:11])[o:7]1)[H:8],[C:1](#[C:2][C:3]1=[C:4]([H:9])[C:5]([H:10])([H:11])[C-:6]=[O+:7]1)[H:8],"InChI=1S/C6H4O/c1-2-6-4-3-5-7-6/h1,3-5H","InChI=1S/C6H4O/c1-2-6-4-3-5-7-6/h1,4H,3H2",67.39474,59.28049,Singlet_Carbene_Intra_Disproportionation
14591,[C:1](#[C:2][c:3]1[c:4]([H:9])[c:5]([H:10])[c:6]([H:11])[o:7]1)[H:8],[C:1](#[C:2][C:3]([C:4](=[C:5]=[C:6]([H:10])[H:11])[H:9])=[O:7])[H:8],"InChI=1S/C6H4O/c1-2-6-4-3-5-7-6/h1,3-5H","InChI=1S/C6H4O/c1-3-5-6(7)4-2/h2,5H,1H2",71.2303,27.30583,
14592,[C:1](#[C:2][c:3]1[c:4]([H:9])[c:5]([H:10])[c:6]([H:11])[o:7]1)[H:8],[C:1]=[C:2]([c:3]1[c:4]([H:9])[c:5]([H:10])[c:6]([H:11])[o:7]1)[H:8],"InChI=1S/C6H4O/c1-2-6-4-3-5-7-6/h1,3-5H",InChI=1S/C6H4O/c1-2-6-4-3-5-7-6/h2-5H,45.97587,52.736619999999995,Singlet_Carbene_Intra_Disproportionation
14593,[C:1](#[C:2][c:3]1[c:4]([H:9])[c:5]([H:10])[c:6]([H:11])[o:7]1)[H:8],[C-:1]#[C:2][C:3]1=[O+:7][C:6]([H:8])([H:11])[C:5]([H:10])=[C:4]1[H:9],"InChI=1S/C6H4O/c1-2-6-4-3-5-7-6/h1,3-5H","InChI=1S/C6H4O/c1-2-6-4-3-5-7-6/h3-4H,5H2",110.75018,51.01378,
14594,[C:1](#[C:2][c:3]1[c:4]([H:9])[c:5]([H:10])[c:6]([H:11])[o:7]1)[H:8],[C:1]1([H:8])=[C:2]2[C:3]1=[C:4]([H:9])[C:5]([H:10])=[C:6]([H:11])[O:7]2,"InChI=1S/C6H4O/c1-2-6-4-3-5-7-6/h1,3-5H",InChI=1S/C6H4O/c1-2-5-4-6(5)7-3-1/h1-4H,84.65248000000001,48.83566,
14595,[C:1](#[C:2][c:3]1[c:4]([H:9])[c:5]([H:10])[c:6]([H:11])[o:7]1)[H:8],[C+:1]#[C:2][C:3](=[C:4]([C:5](=[C:6]([O-:7])[H:11])[H:10])[H:9])[H:8],"InChI=1S/C6H4O/c1-2-6-4-3-5-7-6/h1,3-5H",InChI=1S/C6H4O/c1-2-3-4-5-6-7/h3-6H,90.59997,65.61281,
14596,[C:1](#[C:2][c:3]1[c:4]([H:9])[c:5]([H:10])[c:6]([H:11])[o:7]1)[H:8],[C:1](#[C:2][C@:4]1([H:9])[C-:3]=[O+:7][C:6]([H:11])=[C:5]1[H:10])[H:8],"InChI=1S/C6H4O/c1-2-6-4-3-5-7-6/h1,3-5H","InChI=1S/C6H4O/c1-2-6-3-4-7-5-6/h1,3-4,6H/t6-/m0/s1",76.47845,69.23149000000001,
14597,[C:1](#[C:2][c:3]1[c:4]([H:9])[c:5]([H:10])[c:6]([H:11])[o:7]1)[H:8],[C:1](#[C:2][C:3](=[C:4]=[C:5]([C:6](=[O:7])[H:11])[H:10])[H:9])[H:8],"InChI=1S/C6H4O/c1-2-6-4-3-5-7-6/h1,3-5H","InChI=1S/C6H4O/c1-2-3-4-5-6-7/h1,3,5-6H",76.59688,29.056540000000002,
14598,[C:1](#[C:2][c:3]1[c:4]([H:9])[c:5]([H:10])[c:6]([H:11])[o:7]1)[H:8],[C-:1]#[C:2][C:3]1=[O+:7][C:6]([H:11])=[C:5]([H:10])[C:4]1([H:8])[H:9],"InChI=1S/C6H4O/c1-2-6-4-3-5-7-6/h1,3-5H","InChI=1S/C6H4O/c1-2-6-4-3-5-7-6/h3,5H,4H2",91.5429,55.61518,
14599,[C:1](#[C:2][c:3]1[c:4]([H:9])[c:5]([H:10])[c:6]([H:11])[o:7]1)[H:8],[C+:1](=[C:2]=[C-:3]/[C:4](=[C:5](\[C:6](=[O:7])[H:11])[H:10])[H:9])[H:8],"InChI=1S/C6H4O/c1-2-6-4-3-5-7-6/h1,3-5H","InChI=1S/C6H4O/c1-2-3-4-5-6-7/h1,4-6H/b5-4-",71.15349,65.23925,
14600,[C:1](#[C:2][c:3]1[c:4]([H:9])[c:5]([H:10])[c:6]([H:11])[o:7]1)[H:8],[C:1](=[C:2]=[C:3]1[C:4]([H:9])=[C:5]=[C:6]([H:11])[O:7]1)([H:8])[H:10],"InChI=1S/C6H4O/c1-2-6-4-3-5-7-6/h1,3-5H","InChI=1S/C6H4O/c1-2-6-4-3-5-7-6/h4-5H,1H2",138.96215,57.85564,Intra_ene_reaction
14601,[C:1](#[C:2][c:3]1[c:4]([H:9])[c:5]([H:10])[c:6]([H:11])[o:7]1)[H:8],[C:1]1([H:8])=[C-:2][C@:3]12[C:4]([H:9])=[C:5]([H:10])[C:6]([H:11])=[O+:7]2,"InChI=1S/C6H4O/c1-2-6-4-3-5-7-6/h1,3-5H","InChI=1S/C6H4O/c1-2-6(3-4-6)7-5-1/h1-3,5H/t6-/m0/s1",49.863040000000005,48.52013,
14602,[C:1](#[C:2][c:3]1[c:4]([H:9])[c:5]([H:10])[c:6]([H:11])[o:7]1)[H:8],[C@@:1]12([H:8])[C:2]#[C:3][C:4]([H:9])=[C:5]([H:10])[C@:6]1([H:11])[O:7]2,"InChI=1S/C6H4O/c1-2-6-4-3-5-7-6/h1,3-5H","InChI=1S/C6H4O/c1-2-4-6-5(3-1)7-6/h1,3,5-6H/t5-,6+/m0/s1",70.16917,59.96519,
14603,[C:1](#[C:2][c:3]1[c:4]([H:9])[c:5]([H:10])[c:6]([H:11])[o:7]1)[H:8],[C-:1]#[C:2][C+:3]=[C:4]([C:5](=[C:6]([O:7][H:8])[H:11])[H:10])[H:9],"InChI=1S/C6H4O/c1-2-6-4-3-5-7-6/h1,3-5H",InChI=1S/C6H4O/c1-2-3-4-5-6-7/h4-7H,101.3311,72.62564,
14604,[C:1]([C@@:2]([C:3]([C:4](=[O:5])[H:14])([H:12])[H:13])([C:6]#[N:7])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])=[N:7][C:6]1=[O:5])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-5(4-6)2-3-7/h3,5H,2H2,1H3/t5-/m0/s1","InChI=1S/C5H7NO/c1-4-2-3-6-5(4)7/h3-4H,2H2,1H3/t4-/m0/s1",98.63779,-7.44463,
14605,[C:1]([C@@:2]([C:3]([C:4](=[O:5])[H:14])([H:12])[H:13])([C:6]#[N:7])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]([O:5][C:4](=[C:3]([H:12])[H:13])[H:14])([C:6]#[N:7])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-5(4-6)2-3-7/h3,5H,2H2,1H3/t5-/m0/s1","InChI=1S/C5H7NO/c1-3-7-5(2)4-6/h3,5H,1H2,2H3/t5-/m1/s1",70.43977,20.08318,ketoenol
14606,[C:1]([C@@:2]([C:3]([C:4](=[O:5])[H:14])([H:12])[H:13])([C:6]#[N:7])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])=[C:4]([H:14])[O:5]/[C:6]1=[N:7]\[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-5(4-6)2-3-7/h3,5H,2H2,1H3/t5-/m0/s1","InChI=1S/C5H7NO/c1-4-2-3-7-5(4)6/h2-4,6H,1H3/b6-5-/t4-/m0/s1",83.92520999999999,2.3946099999999997,
14607,[C:1]([C@@:2]([C:3]([C:4](=[O:5])[H:14])([H:12])[H:13])([C:6]#[N:7])[H:11])([H:8])([H:9])[H:10],[C-:4]#[O+:5].[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C:6]#[N:7])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-5(4-6)2-3-7/h3,5H,2H2,1H3/t5-/m0/s1","InChI=1S/C4H7N.CO/c1-4(2)3-5;1-2/h4H,1-2H3;",75.14895,-2.29305,"1,2_Insertion_CO"
14608,[C:1]([C@@:2]([C:3]([C:4](=[O:5])[H:14])([H:12])[H:13])([C:6]#[N:7])[H:11])([H:8])([H:9])[H:10],[C:1]1([H:8])([H:9])[C@:2]([C:3]([C:4](=[O:5])[H:14])([H:12])[H:13])([H:11])/[C:6]1=[N:7]/[H:10],"InChI=1S/C5H7NO/c1-5(4-6)2-3-7/h3,5H,2H2,1H3/t5-/m0/s1","InChI=1S/C5H7NO/c6-5-3-4(5)1-2-7/h2,4,6H,1,3H2/b6-5+/t4-/m1/s1",105.69188,33.13641,
14609,[C:1]([C@@:2]([C:3]([C:4](=[O:5])[H:14])([H:12])[H:13])([C:6]#[N:7])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]([C:3]([C:4][H:14])([H:12])[H:13])([C:6]#[N+:7][O-:5])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-5(4-6)2-3-7/h3,5H,2H2,1H3/t5-/m0/s1","InChI=1S/C5H7NO/c1-3-5(2)4-6-7/h1,5H,3H2,2H3/t5-/m0/s1",139.95814,138.32558999999998,
14610,[C:1]([C@@:2]([C:3]([C:4](=[O:5])[H:14])([H:12])[H:13])([C:6]#[N:7])[H:11])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:13].[C:2](=[C:3](\[C:4](=[O:5])[H:14])[H:12])(\[C:6]#[N:7])[H:11],"InChI=1S/C5H7NO/c1-5(4-6)2-3-7/h3,5H,2H2,1H3/t5-/m0/s1","InChI=1S/C4H3NO.CH4/c5-3-1-2-4-6;/h1-2,4H;1H4/b2-1-;",85.76846,16.96473,
14611,[C:1]([C@@:2]([C:3]([C:4](=[O:5])[H:14])([H:12])[H:13])([C:6]#[N:7])[H:11])([H:8])([H:9])[H:10],[C:1]([C+:2]=[C:6]=[N-:7])([H:8])([H:9])[H:10].[C:3]([C:4](=[O:5])[H:14])([H:11])([H:12])[H:13],"InChI=1S/C5H7NO/c1-5(4-6)2-3-7/h3,5H,2H2,1H3/t5-/m0/s1","InChI=1S/C3H3N.C2H4O/c1-2-3-4;1-2-3/h1H3;2H,1H3",77.5389,84.93417,
14612,[C:1]([C@@:2]([C:3]([C:4](=[O:5])[H:14])([H:12])[H:13])([C:6]#[N:7])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4](=[O:5])[N+:7]([H:14])=[C-:6]1)([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-5(4-6)2-3-7/h3,5H,2H2,1H3/t5-/m0/s1","InChI=1S/C5H7NO/c1-4-2-5(7)6-3-4/h4,6H,2H2,1H3/t4-/m0/s1",70.22776999999999,25.638170000000002,
14613,[C:1]([C@@:2]([C:3]([C:4](=[O:5])[H:14])([H:12])[H:13])([C:6]#[N:7])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:6]=[N:7][C@:4]([O:5][H:11])([H:14])[C:3]1([H:12])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-5(4-6)2-3-7/h3,5H,2H2,1H3/t5-/m0/s1","InChI=1S/C5H7NO/c1-4-2-5(7)6-3-4/h5,7H,2H2,1H3/t5-/m0/s1",82.43739000000001,71.72504,
14614,[C:1]([C@@:2]([C:3]([C:4](=[O:5])[H:14])([H:12])[H:13])([C:6]#[N:7])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2](/[C:3](=[C:4](\[O:5][H:13])[H:14])[H:12])([C:6]#[N:7])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-5(4-6)2-3-7/h3,5H,2H2,1H3/t5-/m0/s1","InChI=1S/C5H7NO/c1-5(4-6)2-3-7/h2-3,5,7H,1H3/b3-2-/t5-/m0/s1",67.78151,4.36791,ketoenol
14615,[C:1]([C@@:2]([C:3]([C:4](=[O:5])[H:14])([H:12])[H:13])([C:6]#[N:7])[H:11])([H:8])([H:9])[H:10],[C-:4]#[O+:5].[C:1]([C:2](=[C:3]([H:12])[H:13])[C:6]#[N:7])([H:8])([H:9])[H:10].[H:11][H:14],"InChI=1S/C5H7NO/c1-5(4-6)2-3-7/h3,5H,2H2,1H3/t5-/m0/s1","InChI=1S/C4H5N.CO.H2/c1-4(2)3-5;1-2;/h1H2,2H3;;1H",56.36512,25.634870000000003,
14616,[C:1]([C@@:2]([C:3]([C:4](=[O:5])[H:14])([H:12])[H:13])([C:6]#[N:7])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]([H:12])[H:13])[H:11])([H:8])([H:9])[H:10].[C:4](=[O:5])([C:6]#[N:7])[H:14],"InChI=1S/C5H7NO/c1-5(4-6)2-3-7/h3,5H,2H2,1H3/t5-/m0/s1","InChI=1S/C3H6.C2HNO/c1-3-2;3-1-2-4/h3H,1H2,2H3;2H",67.64983000000001,31.550040000000003,
14617,[C:1]([C@@:2]([C:3]([C:4](=[O:5])[H:14])([H:12])[H:13])([C:6]#[N:7])[H:11])([H:8])([H:9])[H:10],[C:1](=[C:2]([C:6]#[N:7])[H:11])([H:8])[H:9].[C:3](=[C:4]([O:5][H:10])[H:14])([H:12])[H:13],"InChI=1S/C5H7NO/c1-5(4-6)2-3-7/h3,5H,2H2,1H3/t5-/m0/s1","InChI=1S/C3H3N.C2H4O/c1-2-3-4;1-2-3/h2H,1H2;2-3H,1H2",46.44257,27.29444,Retroene
14618,[C:1]([C@@:2]([C:3]([C:4](=[O:5])[H:14])([H:12])[H:13])([C:6]#[N:7])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]([C:3]([O+:5]=[C-:4][H:14])([H:12])[H:13])([C:6]#[N:7])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-5(4-6)2-3-7/h3,5H,2H2,1H3/t5-/m0/s1","InChI=1S/C5H7NO/c1-5(3-6)4-7-2/h2,5H,4H2,1H3/t5-/m1/s1",112.16781999999999,69.94386,
14619,[C:1]([C@@:2]([C:3]([C:4](=[O:5])[H:14])([H:12])[H:13])([C:6]#[N:7])[H:11])([H:8])([H:9])[H:10],[C:1]1([H:8])([H:9])[C@@:2]([C:6]#[N:7])([H:11])[C:3]([H:12])([H:13])[C@:4]1([O:5][H:10])[H:14],"InChI=1S/C5H7NO/c1-5(4-6)2-3-7/h3,5H,2H2,1H3/t5-/m0/s1","InChI=1S/C5H7NO/c6-3-4-1-5(7)2-4/h4-5,7H,1-2H2/t4-,5-",85.44116,15.32484,
14620,[C:1]([C@@:2]([C:3]([C:4](=[O:5])[H:14])([H:12])[H:13])([C:6]#[N:7])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]([C:3]([C:4](=[O:5])[H:14])([H:12])[H:13])([N+:7]#[C-:6])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-5(4-6)2-3-7/h3,5H,2H2,1H3/t5-/m0/s1","InChI=1S/C5H7NO/c1-5(6-2)3-4-7/h4-5H,3H2,1H3/t5-/m0/s1",58.28609,24.86391,
14621,[C:1]([C@@:2]([C:3]([C:4](=[O:5])[H:14])([H:12])[H:13])([C:6]#[N:7])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:6]([O:5][C:4](=[C:3]([H:12])[H:13])[H:14])=[N:7]1)([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-5(4-6)2-3-7/h3,5H,2H2,1H3/t5-/m0/s1","InChI=1S/C5H7NO/c1-3-7-5-4(2)6-5/h3-4H,1H2,2H3/t4-/m0/s1",71.56203000000001,50.08052,
14622,[C:1]([C@@:2]([C:3]([C:4](=[O:5])[H:14])([H:12])[H:13])([C:6]#[N:7])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]([C:3]([C:4][O:5][H:14])([H:12])[H:13])([C:6]#[N:7])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-5(4-6)2-3-7/h3,5H,2H2,1H3/t5-/m0/s1","InChI=1S/C5H7NO/c1-5(4-6)2-3-7/h5,7H,2H2,1H3/t5-/m0/s1",80.766,55.439890000000005,
14623,[C:1]([C@@:2]([C:3]([C:4](=[O:5])[H:14])([H:12])[H:13])([C:6]#[N:7])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])/[C:6]1=[N:7]\[C:4](=[O:5])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-5(4-6)2-3-7/h3,5H,2H2,1H3/t5-/m0/s1","InChI=1S/C5H7NO/c1-4-2-5(4)6-3-7/h3-4H,2H2,1H3/b6-5+/t4-/m0/s1",74.77643,28.849840000000004,
14624,[C:1]([C@@:2]([C:3]([C:4](=[O:5])[H:14])([H:12])[H:13])([C:6]#[N:7])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([C:4](=[O:5])[H:14])([H:12])[H:13])=[C:6]=[N:7][H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-5(4-6)2-3-7/h3,5H,2H2,1H3/t5-/m0/s1","InChI=1S/C5H7NO/c1-5(4-6)2-3-7/h3,6H,2H2,1H3",59.02854,19.0229,
14625,[C:1]([C@@:2]([C:3]([C:4](=[O:5])[H:14])([H:12])[H:13])([C:6]#[N:7])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]([C:4]([C:3]([H:12])([H:13])[H:14])=[O:5])([C:6]#[N:7])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-5(4-6)2-3-7/h3,5H,2H2,1H3/t5-/m0/s1","InChI=1S/C5H7NO/c1-4(3-6)5(2)7/h4H,1-2H3/t4-/m1/s1",72.56344,-5.30576,
14626,[C:1]([C@@:2]([C:3]([C:4](=[O:5])[H:14])([H:12])[H:13])([C:6]#[N:7])[H:11])([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:3](\[C:4](=[O:5])[H:14])[H:12])[C:6]#[N:7])([H:8])([H:9])[H:10].[H:11][H:13],"InChI=1S/C5H7NO/c1-5(4-6)2-3-7/h3,5H,2H2,1H3/t5-/m0/s1","InChI=1S/C5H5NO.H2/c1-5(4-6)2-3-7;/h2-3H,1H3;1H/b5-2+;",97.23605,24.55368,
14627,[C:1]([C@@:2]([C:3]([C:4](=[O:5])[H:14])([H:12])[H:13])([C:6]#[N:7])[H:11])([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:3](\[C:4](=[O:5])[H:14])[H:13])[H:11])([H:8])([H:9])[H:10].[C:6]=[N:7][H:12],"InChI=1S/C5H7NO/c1-5(4-6)2-3-7/h3,5H,2H2,1H3/t5-/m0/s1","InChI=1S/C4H6O.CHN/c1-2-3-4-5;1-2/h2-4H,1H3;2H/b3-2-;",84.16266999999999,43.94915,
14628,[C:1]([O:2][C@@:3]1([H:11])[C:4]([H:12])([H:13])[O:5][C:6]1=[O:7])([H:8])([H:9])[H:10],[C-:1]([O+:2]=[C:3]([C:4]([O:5][C:6](=[O:7])[H:8])([H:12])[H:13])[H:11])([H:9])[H:10],"InChI=1S/C4H6O3/c1-6-3-2-7-4(3)5/h3H,2H2,1H3/t3-/m0/s1","InChI=1S/C4H6O3/c1-6-2-3-7-4-5/h2,4H,1,3H2",52.54364,46.14544,
14629,[C:1]([O:2][C@@:3]1([H:11])[C:4]([H:12])([H:13])[O:5][C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([O:2][C:3](=[C:4]([H:12])[H:13])[H:11])([H:8])([H:9])[H:10].[O:5]=[C:6]=[O:7],"InChI=1S/C4H6O3/c1-6-3-2-7-4(3)5/h3H,2H2,1H3/t3-/m0/s1","InChI=1S/C3H6O.CO2/c1-3-4-2;2-1-3/h3H,1H2,2H3;",31.548379999999998,-19.78267,2+2_cycloaddition
14630,[C:1]([O:2][C@@:3]1([H:11])[C:4]([H:12])([H:13])[O:5][C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([O:2][C:3](=[C:6]=[O:7])[H:11])([H:8])([H:9])[H:10].[C:4](=[O:5])([H:12])[H:13],"InChI=1S/C4H6O3/c1-6-3-2-7-4(3)5/h3H,2H2,1H3/t3-/m0/s1","InChI=1S/C3H4O2.CH2O/c1-5-3-2-4;1-2/h3H,1H3;1H2",40.76039,38.45151,2+2_cycloaddition
14631,[C:1]([O:2][C@@:3]1([H:11])[C:4]([H:12])([H:13])[O:5][C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([O+:2]=[C:3]=[C:6]([O:5][C:4]([H:11])([H:12])[H:13])[O-:7])([H:8])([H:9])[H:10],"InChI=1S/C4H6O3/c1-6-3-2-7-4(3)5/h3H,2H2,1H3/t3-/m0/s1",InChI=1S/C4H6O3/c1-6-3-4(5)7-2/h1-2H3,56.30021,44.06264,
14632,[C:1]([O:2][C@@:3]1([H:11])[C:4]([H:12])([H:13])[O:5][C:6]1=[O:7])([H:8])([H:9])[H:10],[C-:6]#[O+:7].[C:1]([O:2][C:3]([C:4](=[O:5])[H:12])([H:11])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H6O3/c1-6-3-2-7-4(3)5/h3H,2H2,1H3/t3-/m0/s1","InChI=1S/C3H6O2.CO/c1-5-3-2-4;1-2/h2H,3H2,1H3;",54.92021999999999,6.00496,
14633,[C:1]([O:2][C@@:3]1([H:11])[C:4]([H:12])([H:13])[O:5][C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([O:2][C:4]([C@@:3]1([H:11])[O:5][C:6]1=[O:7])([H:12])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H6O3/c1-6-3-2-7-4(3)5/h3H,2H2,1H3/t3-/m0/s1","InChI=1S/C4H6O3/c1-6-2-3-4(5)7-3/h3H,2H2,1H3/t3-/m1/s1",55.92958,13.87809,
14634,[C:1]([O:2][C@@:3]1([H:11])[C:4]([H:12])([H:13])[O:5][C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]([C:6]([O+:5]=[C-:4][H:13])=[O:7])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H6O3/c1-6-3-2-7-4(3)5/h3H,2H2,1H3/t3-/m0/s1","InChI=1S/C4H6O3/c1-6-3-4(5)7-2/h2H,3H2,1H3",70.6645,62.08805,
14635,[C:1]([O:2][C@@:3]1([H:11])[C:4]([H:12])([H:13])[O:5][C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([O:2][C:6]([C:3]([C:4](=[O:5])[H:12])([H:11])[H:13])=[O:7])([H:8])([H:9])[H:10],"InChI=1S/C4H6O3/c1-6-3-2-7-4(3)5/h3H,2H2,1H3/t3-/m0/s1","InChI=1S/C4H6O3/c1-7-4(6)2-3-5/h3H,2H2,1H3",76.55511,-20.31852,
14636,[C:1]([O:2][C@@:3]1([H:11])[C:4]([H:12])([H:13])[O:5][C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([O:2][C@@:6]12[C@@:3]([H:11])([C:4]([H:12])([H:13])[O:5]1)[O:7]2)([H:8])([H:9])[H:10],"InChI=1S/C4H6O3/c1-6-3-2-7-4(3)5/h3H,2H2,1H3/t3-/m0/s1","InChI=1S/C4H6O3/c1-5-4-3(7-4)2-6-4/h3H,2H2,1H3/t3-,4+/m1/s1",77.67957,42.22874,
14637,[C:1]([O:2][C@@:3]1([H:11])[C:4]([H:12])([H:13])[O:5][C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([O:2][C@@:3]1([H:11])[C-:4]([H:12])[O+:5]=[C:6]1[O:7][H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H6O3/c1-6-3-2-7-4(3)5/h3H,2H2,1H3/t3-/m0/s1","InChI=1S/C4H6O3/c1-6-3-2-7-4(3)5/h2-3,5H,1H3/t3-/m0/s1",105.92541000000001,75.88664,
14638,[C:1]([O:2][C@@:3]1([H:11])[C:4]([H:12])([H:13])[O:5][C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([O+:2]=[C-:3][C:4]([O:5][C:6](=[O:7])[H:11])([H:12])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H6O3/c1-6-3-2-7-4(3)5/h3H,2H2,1H3/t3-/m0/s1","InChI=1S/C4H6O3/c1-6-2-3-7-4-5/h4H,3H2,1H3",64.00818000000001,49.50742,
14639,[C:1]([O:2][C@@:3]1([H:11])[C:4]([H:12])([H:13])[O:5][C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1](=[O+:2][C:3]1=[C:6]([O-:7])[O:5][C:4]1([H:12])[H:13])([H:9])[H:10].[H:8][H:11],"InChI=1S/C4H6O3/c1-6-3-2-7-4(3)5/h3H,2H2,1H3/t3-/m0/s1",InChI=1S/C4H4O3.H2/c1-6-3-2-7-4(3)5;/h1-2H2;1H,63.14945,61.912819999999996,
14640,[C:1]([O:2][C@@:3]1([H:11])[C:4]([H:12])([H:13])[O:5][C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([O:2][C:6]([O:5][C:4]([C:3][H:11])([H:12])[H:13])=[O:7])([H:8])([H:9])[H:10],"InChI=1S/C4H6O3/c1-6-3-2-7-4(3)5/h3H,2H2,1H3/t3-/m0/s1","InChI=1S/C4H6O3/c1-3-7-4(5)6-2/h1H,3H2,2H3",66.07396,69.71611,
14641,[C:1]([O:2][C@@:3]1([H:11])[C:4]([H:12])([H:13])[O:5][C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([O+:7]=[C:6]1[C@:3]([O-:2])([H:11])[C:4]([H:12])([H:13])[O:5]1)([H:8])([H:9])[H:10],"InChI=1S/C4H6O3/c1-6-3-2-7-4(3)5/h3H,2H2,1H3/t3-/m0/s1","InChI=1S/C4H6O3/c1-6-4-3(5)2-7-4/h3H,2H2,1H3/t3-/m0/s1",69.91235,49.4872,
14642,[C:1]([O:2][C@@:3]1([H:11])[C:4]([H:12])([H:13])[O:5][C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([O:2][O:7][C:6]1=[C:3]([H:11])[C:4]([H:12])([H:13])[O:5]1)([H:8])([H:9])[H:10],"InChI=1S/C4H6O3/c1-6-3-2-7-4(3)5/h3H,2H2,1H3/t3-/m0/s1","InChI=1S/C4H6O3/c1-5-7-4-2-3-6-4/h2H,3H2,1H3",90.50745,85.11755,ketoenol
14643,[C:1]([O:2][C@@:3]1([H:11])[C:4]([H:12])([H:13])[O:5][C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([O:2][C@@:3]1([H:11])[C:6](=[O+:5][C-:4]([H:12])[H:13])[O:7]1)([H:8])([H:9])[H:10],"InChI=1S/C4H6O3/c1-6-3-2-7-4(3)5/h3H,2H2,1H3/t3-/m0/s1","InChI=1S/C4H6O3/c1-5-3-4(6-2)7-3/h4H,1H2,2H3/t4-/m1/s1",95.22219,91.68621,
14644,[C:1]([O:2][C@@:3]1([H:11])[C:4]([H:12])([H:13])[O:5][C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([C:6]([O:5][C:4]([C:3](=[O:2])[H:11])([H:12])[H:13])=[O:7])([H:8])([H:9])[H:10],"InChI=1S/C4H6O3/c1-6-3-2-7-4(3)5/h3H,2H2,1H3/t3-/m0/s1","InChI=1S/C4H6O3/c1-4(6)7-3-2-5/h2H,3H2,1H3",75.05005,-15.855570000000002,
14645,[C:1]([O:2][C@@:3]1([H:11])[C:4]([H:12])([H:13])[O:5][C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]([C:4]([O:5][H:11])([H:12])[H:13])=[C:6]=[O:7])([H:8])([H:9])[H:10],"InChI=1S/C4H6O3/c1-6-3-2-7-4(3)5/h3H,2H2,1H3/t3-/m0/s1","InChI=1S/C4H6O3/c1-7-4(2-5)3-6/h5H,2H2,1H3",71.12213,20.241979999999998,
14646,[C:1]([O:2][C@@:3]1([H:11])[C:4]([H:12])([H:13])[O:5][C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]1([H:9])([H:10])[O:2][C:3]([H:8])([H:11])[C:4]([H:12])([H:13])[O:5][C:6]1=[O:7],"InChI=1S/C4H6O3/c1-6-3-2-7-4(3)5/h3H,2H2,1H3/t3-/m0/s1",InChI=1S/C4H6O3/c5-4-3-6-1-2-7-4/h1-3H2,100.62803000000001,-13.817879999999999,
14647,[C:1]([O:2][C@@:3]1([H:11])[C:4]([H:12])([H:13])[O:5][C:6]1=[O:7])([H:8])([H:9])[H:10],[C-:6]#[O+:7].[C:1]([O:2][C@@:3]1([H:11])[C:4]([H:12])([H:13])[O:5]1)([H:8])([H:9])[H:10],"InChI=1S/C4H6O3/c1-6-3-2-7-4(3)5/h3H,2H2,1H3/t3-/m0/s1","InChI=1S/C3H6O2.CO/c1-4-3-2-5-3;1-2/h3H,2H2,1H3;/t3-;/m1./s1",57.433080000000004,21.18109,
14648,[N:1]([C:2](=[O:3])[C:4]([C:5]([C:6]([O:7][H:16])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:8])[H:9],[C:5]([C:6]([O:7][H:16])([H:14])[H:15])([H:10])([H:12])[H:13].[N:1]([C:2]([O-:3])=[C+:4][H:11])([H:8])[H:9],"InChI=1S/C4H9NO2/c5-4(7)2-1-3-6/h6H,1-3H2,(H2,5,7)","InChI=1S/C2H3NO.C2H6O/c1-2(3)4;1-2-3/h1H,3H2;3H,2H2,1H3",80.85407,93.85896,
14649,[N:1]([C:2](=[O:3])[C:4]([C:5]([C:6]([O:7][H:16])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:8])[H:9],[N:1]([C-:2]=[O+:3][C:4]([C:5]([C:6]([O:7][H:16])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:8])[H:9],"InChI=1S/C4H9NO2/c5-4(7)2-1-3-6/h6H,1-3H2,(H2,5,7)","InChI=1S/C4H9NO2/c5-4-7-3-1-2-6/h6H,1-3,5H2",98.85109,56.416019999999996,
14650,[N:1]([C:2](=[O:3])[C:4]([C:5]([C:6]([O:7][H:16])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:8])[H:9],[N:1](=[C:2](/[O:3][H:9])[C:4]([C:5]([C:6]([O:7][H:16])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])\[H:8],"InChI=1S/C4H9NO2/c5-4(7)2-1-3-6/h6H,1-3H2,(H2,5,7)","InChI=1S/C4H9NO2/c5-4(7)2-1-3-6/h6H,1-3H2,(H2,5,7)",39.93422,8.50267,ketoenol
14651,[N:1]([C:2](=[O:3])[C:4]([C:5]([C:6]([O:7][H:16])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:8])[H:9],[N:1]1([H:8])[C:2](=[O:3])[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[C:6]1([H:14])[H:15].[O:7]([H:9])[H:16],"InChI=1S/C4H9NO2/c5-4(7)2-1-3-6/h6H,1-3H2,(H2,5,7)","InChI=1S/C4H7NO.H2O/c6-4-2-1-3-5-4;/h1-3H2,(H,5,6);1H2",64.33246,1.26187,
14652,[N:1]([C:2](=[O:3])[C:4]([C:5]([C:6]([O:7][H:16])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:8])[H:9],[C:2](=[O:3])=[C:4]([C:5]([C:6]([O:7][H:16])([H:14])[H:15])([H:12])[H:13])[H:11].[N:1]([H:8])([H:9])[H:10],"InChI=1S/C4H9NO2/c5-4(7)2-1-3-6/h6H,1-3H2,(H2,5,7)","InChI=1S/C4H6O2.H3N/c5-3-1-2-4-6;/h1,6H,2,4H2;1H3",69.70184,34.88994,"1,3_NH3_elimination"
14653,[N:1]([C:2](=[O:3])[C:4]([C:5]([C:6]([O:7][H:16])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:8])[H:9],[H:8][H:10].[N:1](=[C:2]1\[O:3][C@:4]1([C:5]([C:6]([O:7][H:16])([H:14])[H:15])([H:12])[H:13])[H:11])\[H:9],"InChI=1S/C4H9NO2/c5-4(7)2-1-3-6/h6H,1-3H2,(H2,5,7)","InChI=1S/C4H7NO2.H2/c5-4-3(7-4)1-2-6;/h3,5-6H,1-2H2;1H/b5-4-;/t3-;/m0./s1",85.97827,65.45129,
14654,[N:1]([C:2](=[O:3])[C:4]([C:5]([C:6]([O:7][H:16])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:8])[H:9],[N+:1]([C:2]([O-:3])=[C:4]([H:10])[H:11])([C:5]([C:6]([O:7][H:16])([H:14])[H:15])([H:12])[H:13])([H:8])[H:9],"InChI=1S/C4H9NO2/c5-4(7)2-1-3-6/h6H,1-3H2,(H2,5,7)","InChI=1S/C4H9NO2/c1-4(7)5-2-3-6/h5-7H,1-3H2",92.13606999999999,36.62491,
14655,[N:1]([C:2](=[O:3])[C:4]([C:5]([C:6]([O:7][H:16])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:8])[H:9],[N:1]([C@@:2]1([O:3][H:16])[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[C:6]([H:14])([H:15])[O:7]1)([H:8])[H:9],"InChI=1S/C4H9NO2/c5-4(7)2-1-3-6/h6H,1-3H2,(H2,5,7)","InChI=1S/C4H9NO2/c5-4(6)2-1-3-7-4/h6H,1-3,5H2/t4-/m1/s1",32.62798,13.52415,
14656,[N:1]([C:2](=[O:3])[C:4]([C:5]([C:6]([O:7][H:16])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:8])[H:9],[N:1](/[C:2]([O:3][H:10])=[C:4](\[C:5]([C:6]([O:7][H:16])([H:14])[H:15])([H:12])[H:13])[H:11])([H:8])[H:9],"InChI=1S/C4H9NO2/c5-4(7)2-1-3-6/h6H,1-3H2,(H2,5,7)","InChI=1S/C4H9NO2/c5-4(7)2-1-3-6/h2,6-7H,1,3,5H2/b4-2+",59.698409999999996,19.4812,ketoenol
14657,[N:1]([C:2](=[O:3])[C:4]([C:5]([C:6]([O:7][H:16])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:8])[H:9],[C:4](=[C:5]([H:12])[H:13])([H:10])[H:11].[C:6](=[O:7])([H:14])[H:15].[N:1]([C:2](=[O:3])[H:16])([H:8])[H:9],"InChI=1S/C4H9NO2/c5-4(7)2-1-3-6/h6H,1-3H2,(H2,5,7)","InChI=1S/C2H4.CH3NO.CH2O/c1-2;2-1-3;1-2/h1-2H2;1H,(H2,2,3);1H2",67.76828,44.79818,
14658,[N:1]([C:2](=[O:3])[C:4]([C:5]([C:6]([O:7][H:16])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:8])[H:9],[H:8][H:9].[N:1]1=[C:2]([C:4]([C:5]([C:6]([O:7][H:16])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])[O:3]1,"InChI=1S/C4H9NO2/c5-4(7)2-1-3-6/h6H,1-3H2,(H2,5,7)","InChI=1S/C4H7NO2.H2/c6-3-1-2-4-5-7-4;/h6H,1-3H2;1H",97.78022,101.4962,
14659,[N:1]([C:2](=[O:3])[C:4]([C:5]([C:6]([O:7][H:16])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:8])[H:9],[N:1]([C@:2]1([H:15])[O:3][C@:6]([O:7][H:16])([H:14])[C:5]([H:12])([H:13])[C:4]1([H:10])[H:11])([H:8])[H:9],"InChI=1S/C4H9NO2/c5-4(7)2-1-3-6/h6H,1-3H2,(H2,5,7)","InChI=1S/C4H9NO2/c5-3-1-2-4(6)7-3/h3-4,6H,1-2,5H2/t3-,4-/m1/s1",85.17884000000001,18.400370000000002,
14660,[N:1]([C:2](=[O:3])[C:4]([C:5]([C:6]([O:7][H:16])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:8])[H:9],[N:1]([C:2](=[O:3])[C:4]1([H:11])[C:5]([H:12])([H:13])[C:6]1([H:14])[H:15])([H:8])[H:9].[O:7]([H:10])[H:16],"InChI=1S/C4H9NO2/c5-4(7)2-1-3-6/h6H,1-3H2,(H2,5,7)","InChI=1S/C4H7NO.H2O/c5-4(6)3-1-2-3;/h3H,1-2H2,(H2,5,6);1H2",77.75856999999999,14.745610000000001,
14661,[N:1]([C:2](=[O:3])[C:4]([C:5]([C:6]([O:7][H:16])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:8])[H:9],[H:15][H:16].[N:1]([C:2](=[O:3])[C:4]([C:5]([C:6](=[O:7])[H:14])([H:12])[H:13])([H:10])[H:11])([H:8])[H:9],"InChI=1S/C4H9NO2/c5-4(7)2-1-3-6/h6H,1-3H2,(H2,5,7)","InChI=1S/C4H7NO2.H2/c5-4(7)2-1-3-6;/h3H,1-2H2,(H2,5,7);1H",77.42325,17.77251,
14662,[N:1]([C:2](=[O:3])[C:4]([C:5]([C:6]([O:7][H:16])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:8])[H:9],[N:1]([C:2](=[O:3])[C:4]([C:5](=[C:6]([H:14])[H:15])[H:13])([H:10])[H:11])([H:8])[H:9].[O:7]([H:12])[H:16],"InChI=1S/C4H9NO2/c5-4(7)2-1-3-6/h6H,1-3H2,(H2,5,7)","InChI=1S/C4H7NO.H2O/c1-2-3-4(5)6;/h2H,1,3H2,(H2,5,6);1H2",61.11919,10.91376,"1,3_Insertion_ROR"
14663,[N:1]([C:2](=[O:3])[C:4]([C:5]([C:6]([O:7][H:16])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:8])[H:9],[C:6](=[O:7])([H:14])[H:15].[H:10][H:16].[N:1]([C:2](=[O:3])[C:4](=[C:5]([H:12])[H:13])[H:11])([H:8])[H:9],"InChI=1S/C4H9NO2/c5-4(7)2-1-3-6/h6H,1-3H2,(H2,5,7)","InChI=1S/C3H5NO.CH2O.H2/c1-2-3(4)5;1-2;/h2H,1H2,(H2,4,5);1H2;1H",62.16907,47.5948,
14664,[N:1]([C:2](=[O:3])[C:4]([C:5]([C:6]([O:7][H:16])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:8])[H:9],[C:4]([C:5]([C:6]([O:7][H:9])([H:14])[H:15])([H:12])[H:13])([H:10])([H:11])[H:16].[N:1](=[C:2]=[O:3])[H:8],"InChI=1S/C4H9NO2/c5-4(7)2-1-3-6/h6H,1-3H2,(H2,5,7)","InChI=1S/C3H8O.CHNO/c1-2-3-4;2-1-3/h4H,2-3H2,1H3;2H",61.50317,10.91051,
14665,[N:1]([C:2](=[O:3])[C:4]([C:5]([C:6]([O:7][H:16])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:8])[H:9],[N:1]([C@:2]1([O:3][H:12])[C:4]([H:10])([H:11])[C@:5]1([C:6]([O:7][H:16])([H:14])[H:15])[H:13])([H:8])[H:9],"InChI=1S/C4H9NO2/c5-4(7)2-1-3-6/h6H,1-3H2,(H2,5,7)","InChI=1S/C4H9NO2/c5-4(7)1-3(4)2-6/h3,6-7H,1-2,5H2/t3-,4-/m0/s1",77.52718,38.396570000000004,
14666,[N:1]([C:2](=[O:3])[C:4]([C:5]([C:6]([O:7][H:16])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:8])[H:9],[C:6]([O:7][H:16])[H:14].[N:1]([C:2](=[O:3])[C:4]([C:5]([H:12])([H:13])[H:15])([H:10])[H:11])([H:8])[H:9],"InChI=1S/C4H9NO2/c5-4(7)2-1-3-6/h6H,1-3H2,(H2,5,7)","InChI=1S/C3H7NO.CH2O/c1-2-3(4)5;1-2/h2H2,1H3,(H2,4,5);1-2H",73.82767,72.08459,
14667,[N:1]([C:2](=[O:3])[C:4]([C:5]([C:6]([O:7][H:16])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:8])[H:9],[C:2]1(=[O:3])[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[C@@:6]1([O:7][H:16])[H:14].[N:1]([H:8])([H:9])[H:15],"InChI=1S/C4H9NO2/c5-4(7)2-1-3-6/h6H,1-3H2,(H2,5,7)","InChI=1S/C4H6O2.H3N/c5-3-1-2-4(3)6;/h3,5H,1-2H2;1H3/t3-;/m0./s1",85.25433000000001,34.87468,
14668,[N:1]([C:2](=[O:3])[C:4]([C:5]([C:6]([O:7][H:16])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:8])[H:9],[C:4](=[C:5]([C:6]([O:7][H:16])([H:14])[H:15])[H:13])([H:10])[H:11].[N:1]([C:2][O:3][H:12])([H:8])[H:9],"InChI=1S/C4H9NO2/c5-4(7)2-1-3-6/h6H,1-3H2,(H2,5,7)","InChI=1S/C3H6O.CH3NO/c1-2-3-4;2-1-3/h2,4H,1,3H2;3H,2H2",71.19006999999999,71.9491,
14669,[N:1]([C:2](=[O:3])[C:4]([C:5]([C:6]([O:7][H:16])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:8])[H:9],[N:1]([C@:2]1([O:3][H:15])[C:4]([H:10])([H:11])[C:5]([H:12])([H:13])[C@@:6]1([O:7][H:16])[H:14])([H:8])[H:9],"InChI=1S/C4H9NO2/c5-4(7)2-1-3-6/h6H,1-3H2,(H2,5,7)","InChI=1S/C4H9NO2/c5-4(7)2-1-3(4)6/h3,6-7H,1-2,5H2/t3-,4-/m0/s1",81.94572,32.90953,
14670,[N:1]([C:2](=[O:3])[C:4]([C:5]([C:6]([O:7][H:16])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:8])[H:9],[H:12][H:13].[N:1]([C:2](=[O:3])[C:4]([C:5][C:6]([O:7][H:16])([H:14])[H:15])([H:10])[H:11])([H:8])[H:9],"InChI=1S/C4H9NO2/c5-4(7)2-1-3-6/h6H,1-3H2,(H2,5,7)","InChI=1S/C4H7NO2.H2/c5-4(7)2-1-3-6;/h6H,2-3H2,(H2,5,7);1H",92.18204,97.89171999999999,
14671,[N:1]([C:2](=[O:3])[C:4]([C:5]([C:6]([O:7][H:16])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:8])[H:9],[C:2](=[O:3])=[C:4]([H:10])[H:11].[N:1]([C:5]([C:6]([O:7][H:16])([H:14])[H:15])([H:12])[H:13])([H:8])[H:9],"InChI=1S/C4H9NO2/c5-4(7)2-1-3-6/h6H,1-3H2,(H2,5,7)","InChI=1S/C2H7NO.C2H2O/c3-1-2-4;1-2-3/h4H,1-3H2;1H2",92.12684,42.190870000000004,
14672,[N:1]([C:2](=[O:3])[C:4]([C:5]([C:6]([O:7][H:16])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:8])[H:9],[N:1]([C:2]([O:3][C:5]([C:6]([O:7][H:16])([H:14])[H:15])([H:12])[H:13])=[C:4]([H:10])[H:11])([H:8])[H:9],"InChI=1S/C4H9NO2/c5-4(7)2-1-3-6/h6H,1-3H2,(H2,5,7)","InChI=1S/C4H9NO2/c1-4(5)7-3-2-6/h6H,1-3,5H2",88.41711,34.53431,ketoenol
14673,[N:1]([C:2](=[O:3])[C:4]([C:5]([C:6]([O:7][H:16])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])([H:8])[H:9],[H:12][H:15].[N:1]([C:2](=[O:3])[C:4](/[C:5](=[C:6](\[O:7][H:16])[H:14])[H:13])([H:10])[H:11])([H:8])[H:9],"InChI=1S/C4H9NO2/c5-4(7)2-1-3-6/h6H,1-3H2,(H2,5,7)","InChI=1S/C4H7NO2.H2/c5-4(7)2-1-3-6;/h1,3,6H,2H2,(H2,5,7);1H/b3-1-;",91.73031,24.32212,
14674,[O:1]1[C@@:2]2([H:8])[C@:3]3([H:9])[C:4]([H:10])=[C:5]([H:11])[C@@:6]2([H:12])[C@:7]13[H:13],[O:1]1[C@:2]2([H:8])[C@@:3]3([H:9])[C:4][C:5]([H:10])([H:11])[C@:6]2([H:12])[C@@:7]13[H:13],"InChI=1S/C6H6O/c1-2-4-5-3(1)6(4)7-5/h1-6H/t3-,4+,5-,6+","InChI=1S/C6H6O/c1-2-4-5-3(1)6(4)7-5/h3-6H,1H2/t3-,4+,5-,6+",67.68885999999999,62.85598,Singlet_Carbene_Intra_Disproportionation
14675,[O:1]1[C@@:2]2([H:8])[C@:3]3([H:9])[C:4]([H:10])=[C:5]([H:11])[C@@:6]2([H:12])[C@:7]13[H:13],[O:1]1[C@@:2]2([H:8])[C@@:5]3([H:11])[C:4]([H:10])=[C:3]([H:9])[C@:7]1([H:13])[C@@:6]23[H:12],"InChI=1S/C6H6O/c1-2-4-5-3(1)6(4)7-5/h1-6H/t3-,4+,5-,6+","InChI=1S/C6H6O/c1-2-4-5-3(1)6(5)7-4/h1-6H/t3-,4+,5-,6-/m0/s1",18.395210000000002,-20.652720000000002,
14676,[O:1]1[C@@:2]2([H:8])[C@:3]3([H:9])[C:4]([H:10])=[C:5]([H:11])[C@@:6]2([H:12])[C@:7]13[H:13],[O:1]1[C@@:2]2([H:8])[C@@:3]([C:4](=[C:5]([H:11])[H:12])[H:10])([H:9])[C@:7]1([H:13])[C:6]2,"InChI=1S/C6H6O/c1-2-4-5-3(1)6(4)7-5/h1-6H/t3-,4+,5-,6+","InChI=1S/C6H6O/c1-2-4-5-3-6(4)7-5/h2,4-6H,1H2/t4-,5+,6-",75.79634,60.409009999999995,
14677,[O:1]1[C@@:2]2([H:8])[C@:3]3([H:9])[C:4]([H:10])=[C:5]([H:11])[C@@:6]2([H:12])[C@:7]13[H:13],[O+:1]([C:2]1([H:8])[C:3]([H:9])=[C:4]([H:10])[C:5]([H:11])=[C:6]1[H:12])=[C-:7][H:13],"InChI=1S/C6H6O/c1-2-4-5-3(1)6(4)7-5/h1-6H/t3-,4+,5-,6+",InChI=1S/C6H6O/c1-7-6-4-2-3-5-6/h1-6H,21.58585,8.41158,
14678,[O:1]1[C@@:2]2([H:8])[C@:3]3([H:9])[C:4]([H:10])=[C:5]([H:11])[C@@:6]2([H:12])[C@:7]13[H:13],[O:1]=[C:2]([C@@:6]1([H:12])[C@@:5]2([H:11])[C:4]([H:10])=[C:3]([H:9])[C@:7]21[H:13])[H:8],"InChI=1S/C6H6O/c1-2-4-5-3(1)6(4)7-5/h1-6H/t3-,4+,5-,6+","InChI=1S/C6H6O/c7-3-6-4-1-2-5(4)6/h1-6H/t4-,5+,6-",28.89279,-17.85792,
14679,[O:1]1[C@@:2]2([H:8])[C@:3]3([H:9])[C:4]([H:10])=[C:5]([H:11])[C@@:6]2([H:12])[C@:7]13[H:13],[O:1]([C@:7]1([H:13])[C:3]2=[C:2]([H:8])[C@@:6]1([H:12])[C:5]([H:11])=[C:4]2[H:10])[H:9],"InChI=1S/C6H6O/c1-2-4-5-3(1)6(4)7-5/h1-6H/t3-,4+,5-,6+","InChI=1S/C6H6O/c7-6-4-1-2-5(6)3-4/h1-4,6-7H/t4-,6+/m1/s1",72.36480999999999,65.51745,
14680,[O:1]1[C@@:2]2([H:8])[C@:3]3([H:9])[C:4]([H:10])=[C:5]([H:11])[C@@:6]2([H:12])[C@:7]13[H:13],[O:1]1[C@:2]2([H:8])[C:3]([H:9])([H:10])[C@@:7]1([H:13])[C@:6]2([C:5](=[C:4])[H:11])[H:12],"InChI=1S/C6H6O/c1-2-4-5-3(1)6(4)7-5/h1-6H/t3-,4+,5-,6+","InChI=1S/C6H6O/c1-2-4-5-3-6(4)7-5/h2,4-6H,3H2/t4-,5+,6-",72.19413,69.89994,
14681,[N:1]([c:2]1[c:3]([H:10])[o:4][n:5][c:6]1[N:7]([H:11])[H:12])([H:8])[H:9],[N:1](=[C:2]1\[C:3]([H:8])([H:10])[O:4][N:5]=[C:6]1[N:7]([H:11])[H:12])\[H:9],"InChI=1S/C3H5N3O/c4-2-1-7-6-3(2)5/h1H,4H2,(H2,5,6)","InChI=1S/C3H5N3O/c4-2-1-7-6-3(2)5/h4H,1H2,(H2,5,6)/b4-2+",70.62805999999999,8.98902,
14682,[N:1]([c:2]1[c:3]([H:10])[o:4][n:5][c:6]1[N:7]([H:11])[H:12])([H:8])[H:9],[N:1]([c:2]1[c:3]([H:10])[o:4][n:5]([H:12])/[c:6]1=[N:7]/[H:11])([H:8])[H:9],"InChI=1S/C3H5N3O/c4-2-1-7-6-3(2)5/h1H,4H2,(H2,5,6)","InChI=1S/C3H5N3O/c4-2-1-7-6-3(2)5/h1H,4H2,(H2,5,6)",56.390919999999994,17.65709,
14683,[N:1]([c:2]1[c:3]([H:10])[o:4][n:5][c:6]1[N:7]([H:11])[H:12])([H:8])[H:9],[N:1]([C:2]#[C:3][H:10])([H:8])[H:9].[O-:4][N+:5]#[C:6][N:7]([H:11])[H:12],"InChI=1S/C3H5N3O/c4-2-1-7-6-3(2)5/h1H,4H2,(H2,5,6)","InChI=1S/C2H3N.CH2N2O/c1-2-3;2-1-3-4/h1H,3H2;2H2",80.44275,81.43653,
14684,[N:1]([c:2]1[c:3]([H:10])[o:4][n:5][c:6]1[N:7]([H:11])[H:12])([H:8])[H:9],[H:8][H:11].[N-:1]([C:2]1=[C:3]([H:10])[O+:4]=[N:5][C:6]1=[N:7][H:12])[H:9],"InChI=1S/C3H5N3O/c4-2-1-7-6-3(2)5/h1H,4H2,(H2,5,6)","InChI=1S/C3H3N3O.H2/c4-2-1-7-6-3(2)5;/h1,4-5H;1H",70.18741,62.96447,
14685,[N:1]([c:2]1[c:3]([H:10])[o:4][n:5][c:6]1[N:7]([H:11])[H:12])([H:8])[H:9],[N:1]([C:2]([C:3](=[O:4])[H:10])=[C:6]1[N-:5][N+:7]1([H:11])[H:12])([H:8])[H:9],"InChI=1S/C3H5N3O/c4-2-1-7-6-3(2)5/h1H,4H2,(H2,5,6)","InChI=1S/C3H5N3O/c4-2(1-7)3-5-6-3/h1H,4-5H2",48.20718,47.66017,
14686,[N:1]([c:2]1[c:3]([H:10])[o:4][n:5][c:6]1[N:7]([H:11])[H:12])([H:8])[H:9],[N+:1]1([H:8])([H:9])[C:2]([C:6](=[N:5][O-:4])[N:7]([H:11])[H:12])=[C:3]1[H:10],"InChI=1S/C3H5N3O/c4-2-1-7-6-3(2)5/h1H,4H2,(H2,5,6)","InChI=1S/C3H5N3O/c4-3(6-7)2-1-5-2/h1,5,7H,(H2,4,6)",95.55938,96.99748000000001,
14687,[N:1]([c:2]1[c:3]([H:10])[o:4][n:5][c:6]1[N:7]([H:11])[H:12])([H:8])[H:9],[N:1]([C@@:2]1([H:11])[C:3]([H:10])=[O+:4][N-:5][C:6]1=[N:7][H:12])([H:8])[H:9],"InChI=1S/C3H5N3O/c4-2-1-7-6-3(2)5/h1H,4H2,(H2,5,6)","InChI=1S/C3H5N3O/c4-2-1-7-6-3(2)5/h1-2,5H,4H2/t2-/m0/s1",72.51329,49.23075,
14688,[N:1]([c:2]1[c:3]([H:10])[o:4][n:5][c:6]1[N:7]([H:11])[H:12])([H:8])[H:9],[N:1]([C:2](=[C+:3][O:4][H:10])[C:6](=[N-:5])[N:7]([H:11])[H:12])([H:8])[H:9],"InChI=1S/C3H5N3O/c4-2-1-7-6-3(2)5/h1H,4H2,(H2,5,6)","InChI=1S/C3H5N3O/c4-2(1-7)3(5)6/h4H2,(H3-,5,6,7)",80.60296,56.19661,
14689,[N:1]([c:2]1[c:3]([H:10])[o:4][n:5][c:6]1[N:7]([H:11])[H:12])([H:8])[H:9],[N+:1]([c:2]1[c-:3][o:4][n:5][c:6]1[N:7]([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C3H5N3O/c4-2-1-7-6-3(2)5/h1H,4H2,(H2,5,6)","InChI=1S/C3H4N3O/c4-2-1-7-6-3(2)5/h4H2,(H2,5,6)/q-1/p+1",72.64705,67.12545,
14690,[N:1]([c:2]1[c:3]([H:10])[o:4][n:5][c:6]1[N:7]([H:11])[H:12])([H:8])[H:9],[N:1]([C:2]/[C:3](=[C:6](/[N:5]=[O:4])[N:7]([H:11])[H:12])[H:10])([H:8])[H:9],"InChI=1S/C3H5N3O/c4-2-1-7-6-3(2)5/h1H,4H2,(H2,5,6)","InChI=1S/C3H5N3O/c4-2-1-3(5)6-7/h1H,4-5H2/b3-1+",98.125,68.27923,
14691,[N:1]([c:2]1[c:3]([H:10])[o:4][n:5][c:6]1[N:7]([H:11])[H:12])([H:8])[H:9],[N:1]([C:2]1=[C:3]([H:10])[C@@:6]1([N:5]=[O:4])[N:7]([H:11])[H:12])([H:8])[H:9],"InChI=1S/C3H5N3O/c4-2-1-7-6-3(2)5/h1H,4H2,(H2,5,6)","InChI=1S/C3H5N3O/c4-2-1-3(2,5)6-7/h1H,4-5H2/t3-/m0/s1",83.05676,72.54938,ketoenol
14692,[O:1]=[C:2]([C:3]([C:4]([C:5]1([H:13])[C:6]([H:14])([H:15])[C:7]1([H:16])[H:17])([H:11])[H:12])([H:9])[H:10])[H:8],[C:5]([C:6]([H:10])([H:14])[H:15])(=[C:7]([H:16])[H:17])[H:13].[O:1]=[C:2]([C:3](=[C:4]([H:11])[H:12])[H:9])[H:8],"InChI=1S/C6H10O/c7-5-1-2-6-3-4-6/h5-6H,1-4H2","InChI=1S/C3H4O.C3H6/c1-2-3-4;1-3-2/h2-3H,1H2;3H,1H2,2H3",55.8118,12.85693,
14693,[O:1]=[C:2]([C:3]([C:4]([C:5]1([H:13])[C:6]([H:14])([H:15])[C:7]1([H:16])[H:17])([H:11])[H:12])([H:9])[H:10])[H:8],[O:1]([C:2](=[C:3]([H:9])[H:10])[H:8])[C:4]([C:5]1([H:13])[C:6]([H:14])([H:15])[C:7]1([H:16])[H:17])([H:11])[H:12],"InChI=1S/C6H10O/c7-5-1-2-6-3-4-6/h5-6H,1-4H2","InChI=1S/C6H10O/c1-2-7-5-6-3-4-6/h2,6H,1,3-5H2",69.18764,17.091829999999998,ketoenol
14694,[O:1]=[C:2]([C:3]([C:4]([C:5]1([H:13])[C:6]([H:14])([H:15])[C:7]1([H:16])[H:17])([H:11])[H:12])([H:9])[H:10])[H:8],[O+:1](=[C-:2][H:8])[C:3]([C:4]([C:5]1([H:13])[C:6]([H:14])([H:15])[C:7]1([H:16])[H:17])([H:11])[H:12])([H:9])[H:10],"InChI=1S/C6H10O/c7-5-1-2-6-3-4-6/h5-6H,1-4H2","InChI=1S/C6H10O/c1-7-5-4-6-2-3-6/h1,6H,2-5H2",110.50631000000001,68.12963,
14695,[O:1]=[C:2]([C:3]([C:4]([C:5]1([H:13])[C:6]([H:14])([H:15])[C:7]1([H:16])[H:17])([H:11])[H:12])([H:9])[H:10])[H:8],[O:1]=[C:2]([C:3]([C:4]([C:5][C:7]([C:6]([H:13])([H:14])[H:15])([H:16])[H:17])([H:11])[H:12])([H:9])[H:10])[H:8],"InChI=1S/C6H10O/c7-5-1-2-6-3-4-6/h5-6H,1-4H2","InChI=1S/C6H10O/c1-2-3-4-5-6-7/h6H,2,4-5H2,1H3",65.44736999999999,66.54353,
14696,[O:1]=[C:2]([C:3]([C:4]([C:5]1([H:13])[C:6]([H:14])([H:15])[C:7]1([H:16])[H:17])([H:11])[H:12])([H:9])[H:10])[H:8],[O:1]1[C@@:2]([C:3]([C:4]([C:5](=[C:7]([H:16])[H:17])[H:13])([H:11])[H:12])([H:9])[H:10])([H:8])[C:6]1([H:14])[H:15],"InChI=1S/C6H10O/c7-5-1-2-6-3-4-6/h5-6H,1-4H2","InChI=1S/C6H10O/c1-2-3-4-6-5-7-6/h2,6H,1,3-5H2/t6-/m1/s1",58.09516,18.77282,
14697,[O:1]=[C:2]([C:3]([C:4]([C:5]1([H:13])[C:6]([H:14])([H:15])[C:7]1([H:16])[H:17])([H:11])[H:12])([H:9])[H:10])[H:8],[O:1]1[C@:2]2([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C@@:5]([H:13])([C:6]2([H:14])[H:15])[C:7]1([H:16])[H:17],"InChI=1S/C6H10O/c7-5-1-2-6-3-4-6/h5-6H,1-4H2","InChI=1S/C6H10O/c1-2-6-3-5(1)4-7-6/h5-6H,1-4H2/t5-,6+/m0/s1",60.790440000000004,-10.96239,
14698,[O:1]=[C:2]([C:3]([C:4]([C:5]1([H:13])[C:6]([H:14])([H:15])[C:7]1([H:16])[H:17])([H:11])[H:12])([H:9])[H:10])[H:8],[H:11][H:17].[O:1]=[C:2]([C:3](/[C:4](=[C:5](/[C:7](=[C:6]([H:14])[H:15])[H:16])[H:13])[H:12])([H:9])[H:10])[H:8],"InChI=1S/C6H10O/c7-5-1-2-6-3-4-6/h5-6H,1-4H2","InChI=1S/C6H8O.H2/c1-2-3-4-5-6-7;/h2-4,6H,1,5H2;1H/b4-3+;",93.57004,21.23171,
14699,[O:1]=[C:2]([C:3]([C:4]([C:5]1([H:13])[C:6]([H:14])([H:15])[C:7]1([H:16])[H:17])([H:11])[H:12])([H:9])[H:10])[H:8],[O:1]([C:2]([C:3]([C:4]([C:5]1=[C:6]([H:15])[C:7]1([H:16])[H:17])([H:11])[H:12])([H:9])[H:10])([H:8])[H:13])[H:14],"InChI=1S/C6H10O/c7-5-1-2-6-3-4-6/h5-6H,1-4H2","InChI=1S/C6H10O/c7-5-1-2-6-3-4-6/h3,7H,1-2,4-5H2",74.82439000000001,32.56035,
14700,[O:1]=[C:2]([C:3]([C:4]([C:5]1([H:13])[C:6]([H:14])([H:15])[C:7]1([H:16])[H:17])([H:11])[H:12])([H:9])[H:10])[H:8],[O:1]([C:2]([C:3]([C:4]([C:5]1([H:13])[C:6]([H:14])=[C:7]1[H:16])([H:11])[H:12])([H:9])[H:10])([H:8])[H:15])[H:17],"InChI=1S/C6H10O/c7-5-1-2-6-3-4-6/h5-6H,1-4H2","InChI=1S/C6H10O/c7-5-1-2-6-3-4-6/h3-4,6-7H,1-2,5H2",61.456880000000005,36.632329999999996,
14701,[O:1]=[C:2]([C:3]([C:4]([C:5]1([H:13])[C:6]([H:14])([H:15])[C:7]1([H:16])[H:17])([H:11])[H:12])([H:9])[H:10])[H:8],[O:1](/[C:2](=[C:3](\[C:4]([C:5]1([H:13])[C:6]([H:14])([H:15])[C:7]1([H:16])[H:17])([H:11])[H:12])[H:9])[H:8])[H:10],"InChI=1S/C6H10O/c7-5-1-2-6-3-4-6/h5-6H,1-4H2","InChI=1S/C6H10O/c7-5-1-2-6-3-4-6/h1,5-7H,2-4H2/b5-1-",67.69815,6.0982,ketoenol
14702,[O:1]=[C:2]([C:3]([C:4]([C:5]1([H:13])[C:6]([H:14])([H:15])[C:7]1([H:16])[H:17])([H:11])[H:12])([H:9])[H:10])[H:8],[H:10][H:17].[O:1]1[C:2]([H:8])=[C:3]([H:9])[C:4]([H:11])([H:12])[C@@:5]2([H:13])[C:6]([H:14])([H:15])[C@@:7]12[H:16],"InChI=1S/C6H10O/c7-5-1-2-6-3-4-6/h5-6H,1-4H2","InChI=1S/C6H8O.H2/c1-2-5-4-6(5)7-3-1;/h1,3,5-6H,2,4H2;1H/t5-,6+;/m0./s1",91.44436999999999,26.77415,
14703,[O:1]=[C:2]([C:3]([C:4]([C:5]1([H:13])[C:6]([H:14])([H:15])[C:7]1([H:16])[H:17])([H:11])[H:12])([H:9])[H:10])[H:8],[C:3](=[C:4]([C:5]1([H:13])[C:6]([H:14])([H:15])[C:7]1([H:16])[H:17])[H:12])([H:9])[H:10].[O:1]=[C:2]([H:8])[H:11],"InChI=1S/C6H10O/c7-5-1-2-6-3-4-6/h5-6H,1-4H2","InChI=1S/C5H8.CH2O/c1-2-5-3-4-5;1-2/h2,5H,1,3-4H2;1H2",64.66355,27.50592,
14704,[O:1]=[C:2]([C:3]([C:4]([C:5]1([H:13])[C:6]([H:14])([H:15])[C:7]1([H:16])[H:17])([H:11])[H:12])([H:9])[H:10])[H:8],[O+:1](=[C:2]([C:3]([C:4]([C:5](=[C:6]([H:14])[H:15])[H:13])([H:11])[H:12])([H:9])[H:10])[H:8])[C-:7]([H:16])[H:17],"InChI=1S/C6H10O/c7-5-1-2-6-3-4-6/h5-6H,1-4H2","InChI=1S/C6H10O/c1-3-4-5-6-7-2/h3,6H,1-2,4-5H2",98.78779,56.98282,
14705,[O:1]=[C:2]([C:3]([C:4]([C:5]1([H:13])[C:6]([H:14])([H:15])[C:7]1([H:16])[H:17])([H:11])[H:12])([H:9])[H:10])[H:8],[O:1]([C@@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]12[C:6]([H:14])([H:15])[C:7]2([H:16])[H:17])[H:13],"InChI=1S/C6H10O/c7-5-1-2-6-3-4-6/h5-6H,1-4H2","InChI=1S/C6H10O/c7-5-1-2-6(5)3-4-6/h5,7H,1-4H2/t5-/m0/s1",85.14298000000001,15.03236,
14706,[O:1]=[C:2]([C:3]([C:4]([C:5]1([H:13])[C:6]([H:14])([H:15])[C:7]1([H:16])[H:17])([H:11])[H:12])([H:9])[H:10])[H:8],[O:1]([C@:2]1([H:8])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C@@:5]2([H:13])[C@:6]1([H:14])[C:7]2([H:16])[H:17])[H:15],"InChI=1S/C6H10O/c7-5-1-2-6-3-4-6/h5-6H,1-4H2","InChI=1S/C6H10O/c7-6-2-1-4-3-5(4)6/h4-7H,1-3H2/t4-,5+,6-/m1/s1",72.57774,-2.35606,
14707,[O:1]=[C:2]([C:3]([C:4]([C:5]1([H:13])[C:6]([H:14])([H:15])[C:7]1([H:16])[H:17])([H:11])[H:12])([H:9])[H:10])[H:8],[H:13][H:16].[O:1]=[C:2]([C:3]([C:4]([C:5]1=[C:7]([H:17])[C:6]1([H:14])[H:15])([H:11])[H:12])([H:9])[H:10])[H:8],"InChI=1S/C6H10O/c7-5-1-2-6-3-4-6/h5-6H,1-4H2","InChI=1S/C6H8O.H2/c7-5-1-2-6-3-4-6;/h3,5H,1-2,4H2;1H",117.15908999999999,50.46051,
14708,[O:1]=[C:2]([C:3]([C:4]([C:5]1([H:13])[C:6]([H:14])([H:15])[C:7]1([H:16])[H:17])([H:11])[H:12])([H:9])[H:10])[H:8],[C:6](=[C:7]([H:16])[H:17])([H:14])[H:15].[O:1]=[C:2]([C:3]([C:4](=[C:5]([H:11])[H:13])[H:12])([H:9])[H:10])[H:8],"InChI=1S/C6H10O/c7-5-1-2-6-3-4-6/h5-6H,1-4H2","InChI=1S/C4H6O.C2H4/c1-2-3-4-5;1-2/h2,4H,1,3H2;1-2H2",84.77708,17.9692,
14709,[O:1]=[C:2]([C:3]([C:4]([C:5]1([H:13])[C:6]([H:14])([H:15])[C:7]1([H:16])[H:17])([H:11])[H:12])([H:9])[H:10])[H:8],[O:1]=[C:2]([C:3]([C:4]([C:6]([C:7]([C:5][H:13])([H:16])[H:17])([H:14])[H:15])([H:11])[H:12])([H:9])[H:10])[H:8],"InChI=1S/C6H10O/c7-5-1-2-6-3-4-6/h5-6H,1-4H2","InChI=1S/C6H10O/c1-2-3-4-5-6-7/h1,6H,2-5H2",99.85906999999999,77.74215,
14710,[O:1]=[C:2]([C:3]([C:4]([C:5]1([H:13])[C:6]([H:14])([H:15])[C:7]1([H:16])[H:17])([H:11])[H:12])([H:9])[H:10])[H:8],[C:4](=[C:5]1[C:6]([H:14])([H:15])[C:7]1([H:16])[H:17])([H:11])[H:12].[O:1]([C:2](=[C:3]([H:9])[H:10])[H:8])[H:13],"InChI=1S/C6H10O/c7-5-1-2-6-3-4-6/h5-6H,1-4H2","InChI=1S/C4H6.C2H4O/c1-4-2-3-4;1-2-3/h1-3H2;2-3H,1H2",54.22752,34.63063,Retroene
14711,[O:1]=[C:2]([C:3]([C:4]([C:5]1([H:13])[C:6]([H:14])([H:15])[C:7]1([H:16])[H:17])([H:11])[H:12])([H:9])[H:10])[H:8],[O:1]1[C:2]([H:8])([H:13])[C:3]([H:9])([H:10])[C:4]([H:11])([H:12])[C:5]12[C:6]([H:14])([H:15])[C:7]2([H:16])[H:17],"InChI=1S/C6H10O/c7-5-1-2-6-3-4-6/h5-6H,1-4H2",InChI=1S/C6H10O/c1-2-6(3-4-6)7-5-1/h1-5H2,90.19639000000001,5.29343,
14712,[O:1]=[C:2]([C:3]([C:4]([C:5]1([H:13])[C:6]([H:14])([H:15])[C:7]1([H:16])[H:17])([H:11])[H:12])([H:9])[H:10])[H:8],[C:5]1[C:6]([H:14])([H:15])[C:7]1([H:16])[H:17].[O:1]=[C:2]([C:3]([C:4]([H:11])([H:12])[H:13])([H:9])[H:10])[H:8],"InChI=1S/C6H10O/c7-5-1-2-6-3-4-6/h5-6H,1-4H2","InChI=1S/C3H6O.C3H4/c1-2-3-4;1-2-3-1/h3H,2H2,1H3;1-2H2",87.02216,95.72555,
14713,[O:1]=[C:2]([C:3]([C:4]([C:5]1([H:13])[C:6]([H:14])([H:15])[C:7]1([H:16])[H:17])([H:11])[H:12])([H:9])[H:10])[H:8],[C:5]1([H:10])([H:13])[C:6]([H:14])([H:15])[C:7]1([H:16])[H:17].[O:1]=[C:2]([C:3](=[C:4]([H:11])[H:12])[H:9])[H:8],"InChI=1S/C6H10O/c7-5-1-2-6-3-4-6/h5-6H,1-4H2","InChI=1S/C3H4O.C3H6/c1-2-3-4;1-2-3-1/h2-3H,1H2;1-3H2",83.24924,21.23323,
14714,[O:1]=[C:2]([C:3]([C:4]([C:5]1([H:13])[C:6]([H:14])([H:15])[C:7]1([H:16])[H:17])([H:11])[H:12])([H:9])[H:10])[H:8],[C:3]([C:4]([C:5]1([H:13])[C:6]([H:14])([H:15])[C:7]1([H:16])[H:17])([H:11])[H:12])([H:8])([H:9])[H:10].[O+:1]#[C-:2],"InChI=1S/C6H10O/c7-5-1-2-6-3-4-6/h5-6H,1-4H2","InChI=1S/C5H10.CO/c1-2-5-3-4-5;1-2/h5H,2-4H2,1H3;",76.99920999999999,-1.48071,"1,2_Insertion_CO"
14715,[O:1]=[C:2]([C:3]([C:4]([C:5]1([H:13])[C:6]([H:14])([H:15])[C:7]1([H:16])[H:17])([H:11])[H:12])([H:9])[H:10])[H:8],[O-:1][C:2](=[C:3]([C:4]([C:5]([C:6]([C+:7]([H:16])[H:17])([H:14])[H:15])([H:10])[H:13])([H:11])[H:12])[H:9])[H:8],"InChI=1S/C6H10O/c7-5-1-2-6-3-4-6/h5-6H,1-4H2","InChI=1S/C6H10O/c1-2-3-4-5-6-7/h5-6H,1-4H2",68.55906,52.75329,
14716,[O:1]=[C:2]([C:3]1([C:6](=[O:7])[H:11])[C:4]([H:9])([H:10])[O:5]1)[H:8],[O:1](/[C:2](=[C:3]1\[C:4]([H:9])([H:10])[O:5]1)[H:8])[C:6](=[O:7])[H:11],"InChI=1S/C4H4O3/c5-1-4(2-6)3-7-4/h1-2H,3H2","InChI=1S/C4H4O3/c5-3-6-1-4-2-7-4/h1,3H,2H2/b4-1+",42.44146,9.748460000000001,ketoenol
14717,[O:1]=[C:2]([C:3]1([C:6](=[O:7])[H:11])[C:4]([H:9])([H:10])[O:5]1)[H:8],[O:1]([C:2](=[C:3]([C:4](=[O:5])[H:9])[C:6](=[O:7])[H:11])[H:8])[H:10],"InChI=1S/C4H4O3/c5-1-4(2-6)3-7-4/h1-2H,3H2","InChI=1S/C4H4O3/c5-1-4(2-6)3-7/h1-3,5H",40.22542,-42.38273,
14718,[O:1]=[C:2]([C:3]1([C:6](=[O:7])[H:11])[C:4]([H:9])([H:10])[O:5]1)[H:8],[O-:1][C:2](=[C:3]([O+:5]=[C:4]([H:9])[H:10])[C:6](=[O:7])[H:11])[H:8],"InChI=1S/C4H4O3/c5-1-4(2-6)3-7-4/h1-2H,3H2","InChI=1S/C4H4O3/c1-7-4(2-5)3-6/h2-3H,1H2",29.558120000000002,18.74052,
14719,[O:1]=[C:2]([C:3]1([C:6](=[O:7])[H:11])[C:4]([H:9])([H:10])[O:5]1)[H:8],[C:3]1(=[C:6](\[O:7][H:8])[H:11])\[C:4]([H:9])([H:10])[O:5]1.[O+:1]#[C-:2],"InChI=1S/C4H4O3/c5-1-4(2-6)3-7-4/h1-2H,3H2","InChI=1S/C3H4O2.CO/c4-1-3-2-5-3;1-2/h1,4H,2H2;/b3-1+;",40.0242,14.928820000000002,
14720,[O:1]=[C:2]([C:3]1([C:6](=[O:7])[H:11])[C:4]([H:9])([H:10])[O:5]1)[H:8],[C:4](=[O:5])([H:9])[H:10].[O:1]=[C:2]=[C:3]([C:6](=[O:7])[H:11])[H:8],"InChI=1S/C4H4O3/c5-1-4(2-6)3-7-4/h1-2H,3H2",InChI=1S/C3H2O2.CH2O/c4-2-1-3-5;1-2/h1-2H;1H2,50.87008,-7.374689999999999,
14721,[O:1]=[C:2]([C:3]1([C:6](=[O:7])[H:11])[C:4]([H:9])([H:10])[O:5]1)[H:8],[O:1]=[C:2]([C@:3]12[C:4]([H:9])([H:10])[O:5][C@@:6]1([H:11])[O:7]2)[H:8],"InChI=1S/C4H4O3/c5-1-4(2-6)3-7-4/h1-2H,3H2","InChI=1S/C4H4O3/c5-1-4-2-6-3(4)7-4/h1,3H,2H2/t3-,4-/m0/s1",53.08856,19.30101,
14722,[O:1]=[C:2]([C:3]1([C:6](=[O:7])[H:11])[C:4]([H:9])([H:10])[O:5]1)[H:8],[O-:1][C:2](=[C+:3][C:4]([O:5][C:6](=[O:7])[H:11])([H:9])[H:10])[H:8],"InChI=1S/C4H4O3/c5-1-4(2-6)3-7-4/h1-2H,3H2","InChI=1S/C4H4O3/c5-2-1-3-7-4-6/h2,4H,3H2",50.95317,43.76563,
14723,[O:1]=[C:2]([C:3]1([C:6](=[O:7])[H:11])[C:4]([H:9])([H:10])[O:5]1)[H:8],[O:1]1[C@:2]2([H:8])[C@@:3]3([C:4]([H:9])([H:10])[O:5]2)[C@:6]1([H:11])[O:7]3,"InChI=1S/C4H4O3/c5-1-4(2-6)3-7-4/h1-2H,3H2","InChI=1S/C4H4O3/c1-4-2(5-1)6-3(4)7-4/h2-3H,1H2/t2-,3+,4+/m1/s1",73.0101,55.361309999999996,
14724,[O:1]=[C:2]([C:3]1([C:6](=[O:7])[H:11])[C:4]([H:9])([H:10])[O:5]1)[H:8],[O:1]([C-:2]([C@@:3]1([C:6](=[O:7])[H:11])[C:4]([H:10])=[O+:5]1)[H:8])[H:9],"InChI=1S/C4H4O3/c5-1-4(2-6)3-7-4/h1-2H,3H2","InChI=1S/C4H4O3/c5-1-4(2-6)3-7-4/h1-3,5H/t4-/m1/s1",94.86995,45.28496,
14725,[O:1]=[C:2]([C:3]1([C:6](=[O:7])[H:11])[C:4]([H:9])([H:10])[O:5]1)[H:8],[O:1]([C:2][C@@:3]1([C:6](=[O:7])[H:11])[C:4]([H:9])([H:10])[O:5]1)[H:8],"InChI=1S/C4H4O3/c5-1-4(2-6)3-7-4/h1-2H,3H2","InChI=1S/C4H4O3/c5-1-4(2-6)3-7-4/h1,6H,3H2/t4-/m0/s1",81.18574,54.0679,
14726,[O:1]=[C:2]([C:3]1([C:6](=[O:7])[H:11])[C:4]([H:9])([H:10])[O:5]1)[H:8],[O:1]1[C@:2]([O+:7]=[C-:6][H:11])([H:8])[C@@:3]12[C:4]([H:9])([H:10])[O:5]2,"InChI=1S/C4H4O3/c5-1-4(2-6)3-7-4/h1-2H,3H2","InChI=1S/C4H4O3/c1-5-3-4(7-3)2-6-4/h1,3H,2H2/t3-,4-/m1/s1",100.03766,90.64815,
14727,[O:1]=[C:2]([C:3]1([C:6](=[O:7])[H:11])[C:4]([H:9])([H:10])[O:5]1)[H:8],[O:1]=[C:2]([C:3]1=[C:6]([H:11])[O:7][O:5][C:4]1([H:9])[H:10])[H:8],"InChI=1S/C4H4O3/c5-1-4(2-6)3-7-4/h1-2H,3H2","InChI=1S/C4H4O3/c5-1-4-2-6-7-3-4/h1-2H,3H2",42.648590000000006,35.028079999999996,ketoenol
14728,[O:1]=[C:2]([C:3]1([C:6](=[O:7])[H:11])[C:4]([H:9])([H:10])[O:5]1)[H:8],[O+:1](=[C:2]([C:3](=[C:4]([H:9])[H:10])[C:6](=[O:7])[H:11])[H:8])[O-:5],"InChI=1S/C4H4O3/c5-1-4(2-6)3-7-4/h1-2H,3H2","InChI=1S/C4H4O3/c1-4(2-5)3-7-6/h2-3H,1H2",108.5606,67.14956,
14729,[O:1]=[C:2]([C:3]1([C:6](=[O:7])[H:11])[C:4]([H:9])([H:10])[O:5]1)[H:8],[O+:1](=[C-:2][H:8])[C@@:3]1([C:6](=[O:7])[H:11])[C:4]([H:9])([H:10])[O:5]1,"InChI=1S/C4H4O3/c5-1-4(2-6)3-7-4/h1-2H,3H2","InChI=1S/C4H4O3/c1-6-4(2-5)3-7-4/h1-2H,3H2/t4-/m1/s1",92.54642,67.93359,
14730,[O:1]=[C:2]([C:3]1([C:6](=[O:7])[H:11])[C:4]([H:9])([H:10])[O:5]1)[H:8],[O:1]=[C:2]([C:3]([O+:5]=[C-:4][H:9])([C:6](=[O:7])[H:11])[H:10])[H:8],"InChI=1S/C4H4O3/c5-1-4(2-6)3-7-4/h1-2H,3H2",InChI=1S/C4H4O3/c1-7-4(2-5)3-6/h1-4H,77.8721,55.00872,
14731,[O:1]=[C:2]([C:3]1([C:6](=[O:7])[H:11])[C:4]([H:9])([H:10])[O:5]1)[H:8],[O:1]=[C:2]([C:3]([C:4][H:9])([O:5][H:10])[C:6](=[O:7])[H:11])[H:8],"InChI=1S/C4H4O3/c5-1-4(2-6)3-7-4/h1-2H,3H2","InChI=1S/C4H4O3/c1-4(7,2-5)3-6/h1-3,7H",70.02986,61.2083,
14732,[O:1]=[C:2]([C:3]1([C:6](=[O:7])[H:11])[C:4]([H:9])([H:10])[O:5]1)[H:8],[C:4](=[O:5])([H:9])[H:10].[O:1]=[C:2]=[C:3]=[C:6]([O:7][H:8])[H:11],"InChI=1S/C4H4O3/c5-1-4(2-6)3-7-4/h1-2H,3H2","InChI=1S/C3H2O2.CH2O/c4-2-1-3-5;1-2/h2,4H;1H2",50.927820000000004,5.841469999999999,
14733,[O:1]=[C:2]([C:3]1([C:6](=[O:7])[H:11])[C:4]([H:9])([H:10])[O:5]1)[H:8],[C:3]([C:4]([H:8])([H:9])[H:10])(=[O:5])[C:6](=[O:7])[H:11].[O+:1]#[C-:2],"InChI=1S/C4H4O3/c5-1-4(2-6)3-7-4/h1-2H,3H2","InChI=1S/C3H4O2.CO/c1-3(5)2-4;1-2/h2H,1H3;",59.32046999999999,-27.02235,
14734,[O:1]=[C:2]([C:3]1([C:6](=[O:7])[H:11])[C:4]([H:9])([H:10])[O:5]1)[H:8],[C+:3](=[C:4]([O-:5])[H:9])[C:6](=[O:7])[H:11].[O:1]=[C:2]([H:8])[H:10],"InChI=1S/C4H4O3/c5-1-4(2-6)3-7-4/h1-2H,3H2",InChI=1S/C3H2O2.CH2O/c4-2-1-3-5;1-2/h2-3H;1H2,77.06214,64.32391,
14735,[O:1]=[C:2]([C:3]1([C:6](=[O:7])[H:11])[C:4]([H:9])([H:10])[O:5]1)[H:8],[C:6](=[O:7])([H:8])[H:11].[O:1]=[C:2]=[C:3]1[C:4]([H:9])([H:10])[O:5]1,"InChI=1S/C4H4O3/c5-1-4(2-6)3-7-4/h1-2H,3H2",InChI=1S/C3H2O2.CH2O/c4-1-3-2-5-3;1-2/h2H2;1H2,56.51041,44.69361,
14736,[O:1]=[C:2]([C:3]1([C:6](=[O:7])[H:11])[C:4]([H:9])([H:10])[O:5]1)[H:8],[C-:3]1=[O+:5][C:4]1([H:9])[H:10].[O:1]=[C:2]([C:6](=[O:7])[H:11])[H:8],"InChI=1S/C4H4O3/c5-1-4(2-6)3-7-4/h1-2H,3H2",InChI=1S/C2H2O2.C2H2O/c3-1-2-4;1-2-3-1/h1-2H;1H2,60.42341999999999,65.14867,
14737,[O:1]=[C:2]([C:3]1([C:6](=[O:7])[H:11])[C:4]([H:9])([H:10])[O:5]1)[H:8],[O:1]([C@:2]1([H:8])[C@@:3]2([C:6](=[O:7])[H:11])[C@:4]1([H:9])[O:5]2)[H:10],"InChI=1S/C4H4O3/c5-1-4(2-6)3-7-4/h1-2H,3H2","InChI=1S/C4H4O3/c5-1-4-2(6)3(4)7-4/h1-3,6H/t2-,3+,4-/m0/s1",64.42348,30.605829999999997,
14738,[O:1]=[C:2]([C:3]1([C:6](=[O:7])[H:11])[C:4]([H:9])([H:10])[O:5]1)[H:8],[C+:3]([C:4]([O:5][H:8])([H:9])[H:10])=[C:6]([O-:7])[H:11].[O+:1]#[C-:2],"InChI=1S/C4H4O3/c5-1-4(2-6)3-7-4/h1-2H,3H2","InChI=1S/C3H4O2.CO/c4-2-1-3-5;1-2/h2,5H,3H2;",54.93196999999999,54.39614,
14739,[O:1]=[C:2]([C:3]1([C:6](=[O:7])[H:11])[C:4]([H:9])([H:10])[O:5]1)[H:8],[O:1]=[C:2]([C:3]1=[C:6]([H:11])[O:7][C:4]([H:9])([H:10])[O:5]1)[H:8],"InChI=1S/C4H4O3/c5-1-4(2-6)3-7-4/h1-2H,3H2","InChI=1S/C4H4O3/c5-1-4-2-6-3-7-4/h1-2H,3H2",30.59419,-10.08877,ketoenol
14740,[C:1]([O:2][C@@:3]1([H:11])[C:4]([H:12])([H:13])[C@:5]1([C:6]([O:7][H:17])([H:15])[H:16])[H:14])([H:8])([H:9])[H:10],[C:1]([O:2][C:3](=[C:4]([H:12])[H:13])[H:11])([H:8])([H:9])[H:10].[C:5](=[C:6]([O:7][H:17])[H:16])([H:14])[H:15],"InChI=1S/C5H10O2/c1-7-5-2-4(5)3-6/h4-6H,2-3H2,1H3/t4-,5-/m0/s1","InChI=1S/C3H6O.C2H4O/c1-3-4-2;1-2-3/h3H,1H2,2H3;2-3H,1H2",74.46171,4.93119,
14741,[C:1]([O:2][C@@:3]1([H:11])[C:4]([H:12])([H:13])[C@:5]1([C:6]([O:7][H:17])([H:15])[H:16])[H:14])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]1([H:11])[C:4]([H:12])=[C:5]1[H:14])([H:8])([H:9])[H:10].[C:6](=[O:7])([H:15])[H:16].[H:13][H:17],"InChI=1S/C5H10O2/c1-7-5-2-4(5)3-6/h4-6H,2-3H2,1H3/t4-,5-/m0/s1","InChI=1S/C4H6O.CH2O.H2/c1-5-4-2-3-4;1-2;/h2-4H,1H3;1H2;1H",78.56193,69.39865,
14742,[C:1]([O:2][C@@:3]1([H:11])[C:4]([H:12])([H:13])[C@:5]1([C:6]([O:7][H:17])([H:15])[H:16])[H:14])([H:8])([H:9])[H:10],[C:1]([O:2][H:17])([H:8])([H:9])[H:10].[C:3](=[C:4]([H:12])[H:13])([C@@:5]1([H:14])[C:6]([H:15])([H:16])[O:7]1)[H:11],"InChI=1S/C5H10O2/c1-7-5-2-4(5)3-6/h4-6H,2-3H2,1H3/t4-,5-/m0/s1","InChI=1S/C4H6O.CH4O/c1-2-4-3-5-4;1-2/h2,4H,1,3H2;2H,1H3/t4-;/m0./s1",55.01562,22.51011,
14743,[C:1]([O:2][C@@:3]1([H:11])[C:4]([H:12])([H:13])[C@:5]1([C:6]([O:7][H:17])([H:15])[H:16])[H:14])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:13].[O:2]=[C:3](/[C:4](=[C:5](\[C:6]([O:7][H:17])([H:15])[H:16])[H:14])[H:12])[H:11],"InChI=1S/C5H10O2/c1-7-5-2-4(5)3-6/h4-6H,2-3H2,1H3/t4-,5-/m0/s1","InChI=1S/C4H6O2.CH4/c5-3-1-2-4-6;/h1-3,6H,4H2;1H4/b2-1-;",64.8945,-12.56758,
14744,[C:1]([O:2][C@@:3]1([H:11])[C:4]([H:12])([H:13])[C@:5]1([C:6]([O:7][H:17])([H:15])[H:16])[H:14])([H:8])([H:9])[H:10],[C:1]([O:2][H:17])([H:8])([H:9])[H:10].[C:3]1([H:11])=[C:5]([H:14])[C:4]1([H:12])[H:13].[C:6](=[O:7])([H:15])[H:16],"InChI=1S/C5H10O2/c1-7-5-2-4(5)3-6/h4-6H,2-3H2,1H3/t4-,5-/m0/s1","InChI=1S/C3H4.CH4O.CH2O/c1-2-3-1;2*1-2/h1-2H,3H2;2H,1H3;1H2",58.33266999999999,57.951130000000006,
14745,[C:1]([O:2][C@@:3]1([H:11])[C:4]([H:12])([H:13])[C@:5]1([C:6]([O:7][H:17])([H:15])[H:16])[H:14])([H:8])([H:9])[H:10],[C:1]([O+:2]=[C-:3][C@@:5]([C:4]([H:11])([H:12])[H:13])([C:6]([O:7][H:17])([H:15])[H:16])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-7-5-2-4(5)3-6/h4-6H,2-3H2,1H3/t4-,5-/m0/s1","InChI=1S/C5H10O2/c1-5(3-6)4-7-2/h5-6H,3H2,1-2H3/t5-/m0/s1",53.78252,35.745740000000005,
14746,[C:1]([O:2][C@@:3]1([H:11])[C:4]([H:12])([H:13])[C@:5]1([C:6]([O:7][H:17])([H:15])[H:16])[H:14])([H:8])([H:9])[H:10],[C:1]([O:2][C@@:3]1([H:11])[C:4]([H:12])([H:13])/[C:5]1=[C:6](/[O:7][H:17])[H:16])([H:8])([H:9])[H:10].[H:14][H:15],"InChI=1S/C5H10O2/c1-7-5-2-4(5)3-6/h4-6H,2-3H2,1H3/t4-,5-/m0/s1","InChI=1S/C5H8O2.H2/c1-7-5-2-4(5)3-6;/h3,5-6H,2H2,1H3;1H/b4-3-;/t5-;/m0./s1",89.73113000000001,32.30583,
14747,[C:1]([O:2][C@@:3]1([H:11])[C:4]([H:12])([H:13])[C@:5]1([C:6]([O:7][H:17])([H:15])[H:16])[H:14])([H:8])([H:9])[H:10],[C:1]([O:2][H:13])([H:8])([H:9])[H:10].[C:3]1([H:11])=[C:4]([H:12])[C:5]1([C:6]([O:7][H:17])([H:15])[H:16])[H:14],"InChI=1S/C5H10O2/c1-7-5-2-4(5)3-6/h4-6H,2-3H2,1H3/t4-,5-/m0/s1","InChI=1S/C4H6O.CH4O/c5-3-4-1-2-4;1-2/h1-2,4-5H,3H2;2H,1H3",74.009,40.15831,
14748,[C:1]([O:2][C@@:3]1([H:11])[C:4]([H:12])([H:13])[C@:5]1([C:6]([O:7][H:17])([H:15])[H:16])[H:14])([H:8])([H:9])[H:10],[C:1]([O:7][C:6]([C@@:5]1([H:14])[C@:3]([O:2][H:17])([H:11])[C:4]1([H:12])[H:13])([H:15])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-7-5-2-4(5)3-6/h4-6H,2-3H2,1H3/t4-,5-/m0/s1","InChI=1S/C5H10O2/c1-7-3-4-2-5(4)6/h4-6H,2-3H2,1H3/t4-,5-/m0/s1",64.78406,1.7009299999999998,
14749,[C:1]([O:2][C@@:3]1([H:11])[C:4]([H:12])([H:13])[C@:5]1([C:6]([O:7][H:17])([H:15])[H:16])[H:14])([H:8])([H:9])[H:10],[C:1]([O:2][C@@:3]([C:4]([O:7][H:17])([H:12])[H:13])([C:5](=[C:6]([H:15])[H:16])[H:14])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-7-5-2-4(5)3-6/h4-6H,2-3H2,1H3/t4-,5-/m0/s1","InChI=1S/C5H10O2/c1-3-5(4-6)7-2/h3,5-6H,1,4H2,2H3/t5-/m1/s1",66.25494,-4.88495,
14750,[C:1]([O:2][C@@:3]1([H:11])[C:4]([H:12])([H:13])[C@:5]1([C:6]([O:7][H:17])([H:15])[H:16])[H:14])([H:8])([H:9])[H:10],[C:1]([O:2][C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]1=[C:6]([H:15])[H:16])([H:8])([H:9])[H:10].[O:7]([H:14])[H:17],"InChI=1S/C5H10O2/c1-7-5-2-4(5)3-6/h4-6H,2-3H2,1H3/t4-,5-/m0/s1","InChI=1S/C5H8O.H2O/c1-4-3-5(4)6-2;/h5H,1,3H2,2H3;1H2/t5-;/m0./s1",67.30946999999999,21.71883,"1,3_Insertion_ROR"
14751,[C:1]([O:2][C@@:3]1([H:11])[C:4]([H:12])([H:13])[C@:5]1([C:6]([O:7][H:17])([H:15])[H:16])[H:14])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]1([H:11])[C:4]([H:12])([H:13])[C:5]1([H:14])[H:15])([H:8])([H:9])[H:10].[C:6]([O:7][H:17])[H:16],"InChI=1S/C5H10O2/c1-7-5-2-4(5)3-6/h4-6H,2-3H2,1H3/t4-,5-/m0/s1","InChI=1S/C4H8O.CH2O/c1-5-4-2-3-4;1-2/h4H,2-3H2,1H3;1-2H",76.93883000000001,78.64049,
14752,[C:1]([O:2][C@@:3]1([H:11])[C:4]([H:12])([H:13])[C@:5]1([C:6]([O:7][H:17])([H:15])[H:16])[H:14])([H:8])([H:9])[H:10],[C:1]([O:2][H:17])([H:8])([H:9])[H:10].[C@:3]12([H:11])[C:4]([H:12])([H:13])[C@@:5]1([H:14])[C:6]([H:15])([H:16])[O:7]2,"InChI=1S/C5H10O2/c1-7-5-2-4(5)3-6/h4-6H,2-3H2,1H3/t4-,5-/m0/s1","InChI=1S/C4H6O.CH4O/c1-3-2-5-4(1)3;1-2/h3-4H,1-2H2;2H,1H3/t3-,4-;/m0./s1",73.19224,33.322309999999995,
14753,[C:1]([O:2][C@@:3]1([H:11])[C:4]([H:12])([H:13])[C@:5]1([C:6]([O:7][H:17])([H:15])[H:16])[H:14])([H:8])([H:9])[H:10],[C:1]([O:2][C@@:3]([C:4]([H:12])([H:13])[H:14])([C:5][C:6]([O:7][H:17])([H:15])[H:16])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-7-5-2-4(5)3-6/h4-6H,2-3H2,1H3/t4-,5-/m0/s1","InChI=1S/C5H10O2/c1-5(7-2)3-4-6/h5-6H,4H2,1-2H3/t5-/m0/s1",68.22362,66.6846,
14754,[C:1]([O:2][C@@:3]1([H:11])[C:4]([H:12])([H:13])[C@:5]1([C:6]([O:7][H:17])([H:15])[H:16])[H:14])([H:8])([H:9])[H:10],[C:1]([O:2][C@@:3]([C:4]([C:5][H:14])([H:12])[H:13])([C:6]([O:7][H:17])([H:15])[H:16])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-7-5-2-4(5)3-6/h4-6H,2-3H2,1H3/t4-,5-/m0/s1","InChI=1S/C5H10O2/c1-3-5(4-6)7-2/h1,5-6H,3-4H2,2H3/t5-/m0/s1",94.77951999999999,75.3048,
14755,[C:1]([O:2][C@@:3]1([H:11])[C:4]([H:12])([H:13])[C@:5]1([C:6]([O:7][H:17])([H:15])[H:16])[H:14])([H:8])([H:9])[H:10],[C:1]([O:2]/[C:3](=[C:5](\[C:6]([O:7][H:17])([H:15])[H:16])[H:14])[H:11])([H:8])([H:9])[H:10].[C:4]([H:12])[H:13],"InChI=1S/C5H10O2/c1-7-5-2-4(5)3-6/h4-6H,2-3H2,1H3/t4-,5-/m0/s1","InChI=1S/C4H8O2.CH2/c1-6-4-2-3-5;/h2,4-5H,3H2,1H3;1H2/b4-2-;",94.27458,109.98324,1+2_Cycloaddition
14756,[C:1]([O:2][C@@:3]1([H:11])[C:4]([H:12])([H:13])[C@:5]1([C:6]([O:7][H:17])([H:15])[H:16])[H:14])([H:8])([H:9])[H:10],[C:1]([C:3](=[O:2])[H:11])([H:8])([H:9])[H:10].[C:4](=[C:5]([C:6]([O:7][H:17])([H:15])[H:16])[H:14])([H:12])[H:13],"InChI=1S/C5H10O2/c1-7-5-2-4(5)3-6/h4-6H,2-3H2,1H3/t4-,5-/m0/s1","InChI=1S/C3H6O.C2H4O/c1-2-3-4;1-2-3/h2,4H,1,3H2;2H,1H3",80.0668,-5.5766599999999995,
14757,[C:1]([O:2][C@@:3]1([H:11])[C:4]([H:12])([H:13])[C@:5]1([C:6]([O:7][H:17])([H:15])[H:16])[H:14])([H:8])([H:9])[H:10],[C:1](=[O+:2][C:3]([C:4]([C-:5]([C:6]([O:7][H:17])([H:15])[H:16])[H:14])([H:12])[H:13])([H:8])[H:11])([H:9])[H:10],"InChI=1S/C5H10O2/c1-7-5-2-4(5)3-6/h4-6H,2-3H2,1H3/t4-,5-/m0/s1","InChI=1S/C5H10O2/c1-7-5-3-2-4-6/h2,6H,1,3-5H2",77.72388000000001,64.86763,
14758,[C:1]([O:2][C@@:3]1([H:11])[C:4]([H:12])([H:13])[C@:5]1([C:6]([O:7][H:17])([H:15])[H:16])[H:14])([H:8])([H:9])[H:10],[C:1]([O:2][C@@:3]([C:4][H:12])([C:5]([C:6]([O:7][H:17])([H:15])[H:16])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-7-5-2-4(5)3-6/h4-6H,2-3H2,1H3/t4-,5-/m0/s1","InChI=1S/C5H10O2/c1-5(7-2)3-4-6/h1,5-6H,3-4H2,2H3/t5-/m0/s1",63.90984,70.14133000000001,
14759,[C:1]([O:2][C@@:3]1([H:11])[C:4]([H:12])([H:13])[C@:5]1([C:6]([O:7][H:17])([H:15])[H:16])[H:14])([H:8])([H:9])[H:10],[C:1]([O:2][C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:6]([H:15])([H:16])[C@:5]1([O:7][H:17])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-7-5-2-4(5)3-6/h4-6H,2-3H2,1H3/t4-,5-/m0/s1","InChI=1S/C5H10O2/c1-7-5-3-2-4(5)6/h4-6H,2-3H2,1H3/t4-,5+/m1/s1",73.71784,-5.13446,
14760,[C:1]([O:2][C@@:3]1([H:11])[C:4]([H:12])([H:13])[C@:5]1([C:6]([O:7][H:17])([H:15])[H:16])[H:14])([H:8])([H:9])[H:10],[C:1]([O:2][C@@:3]([C:5]1([H:14])[C:4]([H:12])([H:13])[C:6]1([H:15])[H:16])([O:7][H:17])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-7-5-2-4(5)3-6/h4-6H,2-3H2,1H3/t4-,5-/m0/s1","InChI=1S/C5H10O2/c1-7-5(6)4-2-3-4/h4-6H,2-3H2,1H3/t5-/m0/s1",88.93034,-4.30741,
14761,[C:1]([C:2]([C:3]([C:4]([C:5]#[C:6][C:7]([H:17])([H:18])[H:19])([H:15])[H:16])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([C:4](=[C:5]=[C:6]=[C:7]([H:18])[H:19])[H:16])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10].[H:15][H:17],"InChI=1S/C7H12/c1-3-5-7-6-4-2/h3,5,7H2,1-2H3","InChI=1S/C7H10.H2/c1-3-5-7-6-4-2;/h7H,1,4,6H2,2H3;1H",67.68262,32.0553,
14762,[C:1]([C:2]([C:3]([C:4]([C:5]#[C:6][C:7]([H:17])([H:18])[H:19])([H:15])[H:16])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([C:4](=[C:5]=[C:6]([C:7]([H:17])([H:18])[H:19])[H:15])[H:16])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C7H12/c1-3-5-7-6-4-2/h3,5,7H2,1-2H3","InChI=1S/C7H12/c1-3-5-7-6-4-2/h3,7H,4,6H2,1-2H3",82.98427,-2.02184,
14763,[C:1]([C:2]([C:3]([C:4]([C:5]#[C:6][C:7]([H:17])([H:18])[H:19])([H:15])[H:16])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3](/[C:4](=[C:5](\[C:6][C:7]([H:17])([H:18])[H:19])[H:15])[H:16])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C7H12/c1-3-5-7-6-4-2/h3,5,7H2,1-2H3","InChI=1S/C7H12/c1-3-5-7-6-4-2/h6-7H,3,5H2,1-2H3/b7-6-",67.62243000000001,54.80656,
14764,[C:1]([C:2]([C:3]([C:4]([C:5]#[C:6][C:7]([H:17])([H:18])[H:19])([H:15])[H:16])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C-:1]([C:2]([C:3]([C:4]([C:5]#[C:6][C+:7]([H:18])[H:19])([H:15])[H:16])([H:13])[H:14])([H:11])[H:12])([H:8])[H:10].[H:9][H:17],"InChI=1S/C7H12/c1-3-5-7-6-4-2/h3,5,7H2,1-2H3","InChI=1S/C7H10.H2/c1-3-5-7-6-4-2;/h1-3,5,7H2;1H",106.52445,97.98477,
14765,[C:1]([C:2]([C:3]([C:4]([C:5]#[C:6][C:7]([H:17])([H:18])[H:19])([H:15])[H:16])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([C:4]([C:5](=[C:6]=[C:7]([H:18])[H:19])[H:17])([H:15])[H:16])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C7H12/c1-3-5-7-6-4-2/h3,5,7H2,1-2H3","InChI=1S/C7H12/c1-3-5-7-6-4-2/h5H,1,4,6-7H2,2H3",88.66790999999999,0.13422,
14766,[C:1]([C:2]([C:3]([C:4]([C:5]#[C:6][C:7]([H:17])([H:18])[H:19])([H:15])[H:16])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([C:4]([C-:5]=[C:6]([C+:7]([H:18])[H:19])[H:17])([H:15])[H:16])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C7H12/c1-3-5-7-6-4-2/h3,5,7H2,1-2H3","InChI=1S/C7H12/c1-3-5-7-6-4-2/h3H,1,4,6-7H2,2H3",71.01413000000001,61.25241,
14767,[C:1]([C:2]([C:3]([C:4]([C:5]#[C:6][C:7]([H:17])([H:18])[H:19])([H:15])[H:16])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:15])([H:16])[C:5]1=[C:6]=[C:7]([H:18])[H:19])([H:11])[H:12])([H:8])([H:9])[H:10].[H:14][H:17],"InChI=1S/C7H12/c1-3-5-7-6-4-2/h3,5,7H2,1-2H3","InChI=1S/C7H10.H2/c1-3-6-5-7(6)4-2;/h7H,1,4-5H2,2H3;1H/t7-;/m0./s1",83.29595,40.3323,
14768,[C:1]([C:2]([C:3]([C:4]([C:5]#[C:6][C:7]([H:17])([H:18])[H:19])([H:15])[H:16])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]([H:13])[H:14])[H:12])([H:8])([H:9])[H:10].[C:4](=[C:5]=[C:6]([C:7]([H:17])([H:18])[H:19])[H:11])([H:15])[H:16],"InChI=1S/C7H12/c1-3-5-7-6-4-2/h3,5,7H2,1-2H3","InChI=1S/C4H6.C3H6/c1-3-4-2;1-3-2/h4H,1H2,2H3;3H,1H2,2H3",43.25875,19.10904,Retroene
14769,[C:1]([C:2]([C:3]([C:4]([C:5]#[C:6][C:7]([H:17])([H:18])[H:19])([H:15])[H:16])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([C:4]([C:6](=[C:5])[C:7]([H:17])([H:18])[H:19])([H:15])[H:16])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C7H12/c1-3-5-7-6-4-2/h3,5,7H2,1-2H3","InChI=1S/C7H12/c1-4-5-6-7(2)3/h4-6H2,1-2H3",56.760180000000005,54.73174,
14770,[C:1]([C:2]([C@@:3]1([C:4]([H:13])([H:14])[H:15])[C:5]([H:16])([H:17])[C@:6]1([C:7]([H:19])([H:20])[H:21])[H:18])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:6]([C:3]1([C:4]([H:13])([H:14])[H:15])[C:2]([H:11])([H:12])[C:5]1([H:16])[H:17])([C:7]([H:19])([H:20])[H:21])[H:18])([H:8])([H:9])[H:10],"InChI=1S/C7H14/c1-4-7(3)5-6(7)2/h6H,4-5H2,1-3H3/t6-,7+/m1/s1","InChI=1S/C7H14/c1-6(2)7(3)4-5-7/h6H,4-5H2,1-3H3",109.99202,1.50171,
14771,[C:1]([C:2]([C@@:3]1([C:4]([H:13])([H:14])[H:15])[C:5]([H:16])([H:17])[C@:6]1([C:7]([H:19])([H:20])[H:21])[H:18])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]1=[C:6]([C:7]([H:19])([H:20])[H:21])[C:5]1([H:16])[H:17])([H:11])[H:12])([H:8])([H:9])[H:10].[C:4]([H:13])([H:14])([H:15])[H:18],"InChI=1S/C7H14/c1-4-7(3)5-6(7)2/h6H,4-5H2,1-3H3/t6-,7+/m1/s1","InChI=1S/C6H10.CH4/c1-3-6-4-5(6)2;/h3-4H2,1-2H3;1H4",112.19163999999999,33.26144,
14772,[C:1]([C:2]([C@@:3]1([C:4]([H:13])([H:14])[H:15])[C:5]([H:16])([H:17])[C@:6]1([C:7]([H:19])([H:20])[H:21])[H:18])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C+:2]([C@@:3]1([C-:4]([H:13])[H:14])[C:5]([H:16])([H:17])[C@:6]1([C:7]([H:19])([H:20])[H:21])[H:18])[H:12])([H:8])([H:9])[H:10].[H:11][H:15],"InChI=1S/C7H14/c1-4-7(3)5-6(7)2/h6H,4-5H2,1-3H3/t6-,7+/m1/s1","InChI=1S/C7H12.H2/c1-4-7(3)5-6(7)2;/h4,6H,3,5H2,1-2H3;1H/t6-,7+;/m1./s1",90.46048,97.28955,
14773,[C:1]([C:2]([C@@:3]1([C:4]([H:13])([H:14])[H:15])[C:5]([H:16])([H:17])[C@:6]1([C:7]([H:19])([H:20])[H:21])[H:18])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:3]1([C:4]([H:13])([H:14])[H:15])[C:5]([H:16])([H:17])[C:6]1)([H:11])[H:12])([H:8])([H:9])[H:10].[C:7]([H:18])([H:19])([H:20])[H:21],"InChI=1S/C7H14/c1-4-7(3)5-6(7)2/h6H,4-5H2,1-3H3/t6-,7+/m1/s1","InChI=1S/C6H10.CH4/c1-3-6(2)4-5-6;/h3-4H2,1-2H3;1H4/t6-;/m0./s1",88.10342,91.97941,
14774,[C:1]([C:2]([C@@:3]1([C:4]([H:13])([H:14])[H:15])[C:5]([H:16])([H:17])[C@:6]1([C:7]([H:19])([H:20])[H:21])[H:18])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](=[C:2]([H:11])[H:12])([H:8])[H:10].[C:3]([C:4]([H:13])([H:14])[H:15])(=[C:5]([H:16])[H:17])[C:6]([C:7]([H:19])([H:20])[H:21])([H:9])[H:18],"InChI=1S/C7H14/c1-4-7(3)5-6(7)2/h6H,4-5H2,1-3H3/t6-,7+/m1/s1","InChI=1S/C5H10.C2H4/c1-4-5(2)3;1-2/h2,4H2,1,3H3;1-2H2",70.84286,16.25812,
14775,[C:1]([C:2]([C@@:3]1([C:4]([H:13])([H:14])[H:15])[C:5]([H:16])([H:17])[C@:6]1([C:7]([H:19])([H:20])[H:21])[H:18])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]1([C:4]([H:13])([H:14])[H:15])[C:5]([H:16])=[C:6]1[H:18])([H:11])[H:12])([H:8])([H:9])[H:10].[C:7]([H:17])([H:19])([H:20])[H:21],"InChI=1S/C7H14/c1-4-7(3)5-6(7)2/h6H,4-5H2,1-3H3/t6-,7+/m1/s1","InChI=1S/C6H10.CH4/c1-3-6(2)4-5-6;/h4-5H,3H2,1-2H3;1H4",115.3699,41.46683,
14776,[C:1]([C:2]([C@@:3]1([C:4]([H:13])([H:14])[H:15])[C:5]([H:16])([H:17])[C@:6]1([C:7]([H:19])([H:20])[H:21])[H:18])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:3]([C:4]([H:13])([H:14])[H:15])([C:5]([C:6][C:7]([H:19])([H:20])[H:21])([H:16])[H:17])[H:18])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C7H14/c1-4-7(3)5-6(7)2/h6H,4-5H2,1-3H3/t6-,7+/m1/s1","InChI=1S/C7H14/c1-4-6-7(3)5-2/h7H,5-6H2,1-3H3/t7-/m1/s1",65.66984000000001,70.43038,
14777,[C:1]([C:2]([C@@:3]1([C:4]([H:13])([H:14])[H:15])[C:5]([H:16])([H:17])[C@:6]1([C:7]([H:19])([H:20])[H:21])[H:18])([H:11])[H:12])([H:8])([H:9])[H:10],[C-:1]([C:2]([C+:3]1[C:5]([H:16])([H:17])[C@:6]1([C:7]([H:19])([H:20])[H:21])[H:18])([H:11])[H:12])([H:8])[H:10].[C:4]([H:9])([H:13])([H:14])[H:15],"InChI=1S/C7H14/c1-4-7(3)5-6(7)2/h6H,4-5H2,1-3H3/t6-,7+/m1/s1","InChI=1S/C6H10.CH4/c1-3-6-4-5(6)2;/h5H,1,3-4H2,2H3;1H4/t5-;/m1./s1",99.20376999999999,102.23893000000001,
14778,[C:1]([C:2]([C@@:3]1([C:4]([H:13])([H:14])[H:15])[C:5]([H:16])([H:17])[C@:6]1([C:7]([H:19])([H:20])[H:21])[H:18])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:20].[C:2](=[C:3]([C:4]([H:13])([H:14])[H:15])[C:5]([C:6](=[C:7]([H:19])[H:21])[H:18])([H:16])[H:17])([H:11])[H:12],"InChI=1S/C7H14/c1-4-7(3)5-6(7)2/h6H,4-5H2,1-3H3/t6-,7+/m1/s1","InChI=1S/C6H10.CH4/c1-4-5-6(2)3;/h4H,1-2,5H2,3H3;1H4",73.05431999999999,11.216289999999999,
14779,[C:1]([C:2]([C@@:3]1([C:4]([H:13])([H:14])[H:15])[C:5]([H:16])([H:17])[C@:6]1([C:7]([H:19])([H:20])[H:21])[H:18])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:11].[C:2]([C@@:3]1([C:4]([H:13])([H:14])[H:15])[C:5]([H:16])([H:17])[C@:6]1([C:7]([H:19])([H:20])[H:21])[H:18])[H:12],"InChI=1S/C7H14/c1-4-7(3)5-6(7)2/h6H,4-5H2,1-3H3/t6-,7+/m1/s1","InChI=1S/C6H10.CH4/c1-5-4-6(5,2)3;/h2,5H,4H2,1,3H3;1H4/t5-,6-;/m1./s1",81.80617,88.92795,
14780,[C:1]([C:2]([C@@:3]1([C:4]([H:13])([H:14])[H:15])[C:5]([H:16])([H:17])[C@:6]1([C:7]([H:19])([H:20])[H:21])[H:18])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([C:4]([H:13])([H:14])[H:15])([C:5]([H:16])([H:17])[H:18])[C:6][C:7]([H:19])([H:20])[H:21])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C7H14/c1-4-7(3)5-6(7)2/h6H,4-5H2,1-3H3/t6-,7+/m1/s1","InChI=1S/C7H14/c1-5-7(3,4)6-2/h5H2,1-4H3",67.42527,69.6722,
14781,[C:1]([C:2]([C@@:3]1([C:4]([H:13])([H:14])[H:15])[C:5]([H:16])([H:17])[C@:6]1([C:7]([H:19])([H:20])[H:21])[H:18])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](=[C:2]([H:11])[H:12])([H:8])[H:10].[C:3]1([C:4]([H:13])([H:14])[H:15])=[C:5]([H:16])[C@:6]1([C:7]([H:19])([H:20])[H:21])[H:18].[H:9][H:17],"InChI=1S/C7H14/c1-4-7(3)5-6(7)2/h6H,4-5H2,1-3H3/t6-,7+/m1/s1","InChI=1S/C5H8.C2H4.H2/c1-4-3-5(4)2;1-2;/h3-4H,1-2H3;1-2H2;1H/t4-;;/m1../s1",91.33152,73.50089,
14782,[C:1]([C:2]([C@@:3]1([C:4]([H:13])([H:14])[H:15])[C:5]([H:16])([H:17])[C@:6]1([C:7]([H:19])([H:20])[H:21])[H:18])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]1=[C:5]([H:17])[C@:6]1([C:7]([H:19])([H:20])[H:21])[H:18])([H:11])[H:12])([H:8])([H:9])[H:10].[C:4]([H:13])([H:14])([H:15])[H:16],"InChI=1S/C7H14/c1-4-7(3)5-6(7)2/h6H,4-5H2,1-3H3/t6-,7+/m1/s1","InChI=1S/C6H10.CH4/c1-3-6-4-5(6)2;/h4-5H,3H2,1-2H3;1H4/t5-;/m1./s1",113.66413999999999,37.34782,
14783,[C:1]([C@@:2]([C:3]([C:4]([O:5][H:16])([H:14])[H:15])([H:12])[H:13])([C:6]#[N:7])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]([C:3]([C:4](=[O:5])[H:15])([H:12])[H:13])([C:6]#[N:7])[H:11])([H:8])([H:9])[H:10].[H:14][H:16],"InChI=1S/C5H9NO/c1-5(4-6)2-3-7/h5,7H,2-3H2,1H3/t5-/m0/s1","InChI=1S/C5H7NO.H2/c1-5(4-6)2-3-7;/h3,5H,2H2,1H3;1H/t5-;/m0./s1",79.93448000000001,19.26194,
14784,[C:1]([C@@:2]([C:3]([C:4]([O:5][H:16])([H:14])[H:15])([H:12])[H:13])([C:6]#[N:7])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:12])([H:13])[H:14])([C:6]#[N:7])[H:11])([H:8])([H:9])[H:10].[C:4]([O:5][H:16])[H:15],"InChI=1S/C5H9NO/c1-5(4-6)2-3-7/h5,7H,2-3H2,1H3/t5-/m0/s1","InChI=1S/C4H7N.CH2O/c1-4(2)3-5;1-2/h4H,1-2H3;1-2H",70.42435,71.42459000000001,
14785,[C:1]([C@@:2]([C:3]([C:4]([O:5][H:16])([H:14])[H:15])([H:12])[H:13])([C:6]#[N:7])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]([C:3]([O:5][H:16])([H:12])[H:13])([C:6]#[N:7])[H:11])([H:8])([H:9])[H:10].[C:4]([H:14])[H:15],"InChI=1S/C5H9NO/c1-5(4-6)2-3-7/h5,7H,2-3H2,1H3/t5-/m0/s1","InChI=1S/C4H7NO.CH2/c1-4(2-5)3-6;/h4,6H,3H2,1H3;1H2/t4-;/m1./s1",114.59693,116.91225,
14786,[C:1]([C@@:2]([C:3]([C:4]([O:5][H:16])([H:14])[H:15])([H:12])[H:13])([C:6]#[N:7])[H:11])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:14].[C:2]([C:3]([C+:4]([O:5][H:16])[H:15])([H:12])[H:13])(=[C:6]=[N-:7])[H:11],"InChI=1S/C5H9NO/c1-5(4-6)2-3-7/h5,7H,2-3H2,1H3/t5-/m0/s1","InChI=1S/C4H5NO.CH4/c5-3-1-2-4-6;/h1,4,6H,2H2;1H4",75.0512,58.69116999999999,
14787,[C:1]([C@@:2]([C:3]([C:4]([O:5][H:16])([H:14])[H:15])([H:12])[H:13])([C:6]#[N:7])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]([C:3]([C:4]([O:5][H:16])([H:14])[H:15])([H:12])[H:13])([N+:7]#[C-:6])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-5(4-6)2-3-7/h5,7H,2-3H2,1H3/t5-/m0/s1","InChI=1S/C5H9NO/c1-5(6-2)3-4-7/h5,7H,3-4H2,1H3/t5-/m0/s1",59.521469999999994,24.50123,
14788,[C:1]([C@@:2]([C:3]([C:4]([O:5][H:16])([H:14])[H:15])([H:12])[H:13])([C:6]#[N:7])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:6]=[N:7][H:14])[H:11])([H:8])([H:9])[H:10].[C:3](=[C:4]([O:5][H:16])[H:15])([H:12])[H:13],"InChI=1S/C5H9NO/c1-5(4-6)2-3-7/h5,7H,2-3H2,1H3/t5-/m0/s1","InChI=1S/C3H5N.C2H4O/c1-2-3-4;1-2-3/h2,4H,1H3;2-3H,1H2",54.633630000000004,36.925270000000005,Retroene
14789,[C:1]([C@@:2]([C:3]([C:4]([O:5][H:16])([H:14])[H:15])([H:12])[H:13])([C:6]#[N:7])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@@:4]([O:5][H:16])([H:15])[N:7]([H:14])[C:6]1)([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-5(4-6)2-3-7/h5,7H,2-3H2,1H3/t5-/m0/s1","InChI=1S/C5H9NO/c1-4-2-5(7)6-3-4/h4-7H,2H2,1H3/t4-,5-/m0/s1",77.36664,41.85426,
14790,[C:1]([C@@:2]([C:3]([C:4]([O:5][H:16])([H:14])[H:15])([H:12])[H:13])([C:6]#[N:7])[H:11])([H:8])([H:9])[H:10],[C:1]1([H:8])([H:10])[C@:2]([C:3]([C:4]([O:5][H:16])([H:14])[H:15])([H:12])[H:13])([H:11])/[C:6]1=[N:7]/[H:9],"InChI=1S/C5H9NO/c1-5(4-6)2-3-7/h5,7H,2-3H2,1H3/t5-/m0/s1","InChI=1S/C5H9NO/c6-5-3-4(5)1-2-7/h4,6-7H,1-3H2/b6-5+/t4-/m1/s1",105.39008999999999,33.895559999999996,
14791,[C:1]([C@@:2]([C:3]([C:4]([O:5][H:16])([H:14])[H:15])([H:12])[H:13])([C:6]#[N:7])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]([C:3](=[C:4]([H:14])[H:15])[H:13])([C:6]#[N:7])[H:11])([H:8])([H:9])[H:10].[O:5]([H:12])[H:16],"InChI=1S/C5H9NO/c1-5(4-6)2-3-7/h5,7H,2-3H2,1H3/t5-/m0/s1","InChI=1S/C5H7N.H2O/c1-3-5(2)4-6;/h3,5H,1H2,2H3;1H2/t5-;/m0./s1",60.98735,12.77833,"1,3_Insertion_ROR"
14792,[C:1]([C@@:2]([C:3]([C:4]([O:5][H:16])([H:14])[H:15])([H:12])[H:13])([C:6]#[N:7])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]1([C:6]#[N:7])[C:3]([H:12])([H:13])[C:4]1([H:14])[H:15])([H:8])([H:9])[H:10].[O:5]([H:11])[H:16],"InChI=1S/C5H9NO/c1-5(4-6)2-3-7/h5,7H,2-3H2,1H3/t5-/m0/s1","InChI=1S/C5H7N.H2O/c1-5(4-6)2-3-5;/h2-3H2,1H3;1H2",74.39089,15.29151,
14793,[C:1]([C@@:2]([C:3]([C:4]([O:5][H:16])([H:14])[H:15])([H:12])[H:13])([C:6]#[N:7])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]([H:12])[H:13])[H:11])([H:8])([H:9])[H:10].[C:4](=[O:5])([H:14])[H:15].[C:6](#[N:7])[H:16],"InChI=1S/C5H9NO/c1-5(4-6)2-3-7/h5,7H,2-3H2,1H3/t5-/m0/s1","InChI=1S/C3H6.CHN.CH2O/c1-3-2;2*1-2/h3H,1H2,2H3;1H;1H2",59.19999,44.87511,
14794,[C:1]([C@@:2]([C:3]([C:4]([O:5][H:16])([H:14])[H:15])([H:12])[H:13])([C:6]#[N:7])[H:11])([H:8])([H:9])[H:10],[C:1]1([H:9])([H:10])[C:2]([C:6]#[N:7])([H:11])[C:3]([H:12])([H:13])[C:4]1([H:14])[H:15].[O:5]([H:8])[H:16],"InChI=1S/C5H9NO/c1-5(4-6)2-3-7/h5,7H,2-3H2,1H3/t5-/m0/s1","InChI=1S/C5H7N.H2O/c6-4-5-2-1-3-5;/h5H,1-3H2;1H2",86.16571,16.29961,
14795,[C:1]([C@@:2]([C:3]([C:4]([O:5][H:16])([H:14])[H:15])([H:12])[H:13])([C:6]#[N:7])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([H:14])([H:15])[O:5]/[C:6]1=[N:7]\[H:16])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-5(4-6)2-3-7/h5,7H,2-3H2,1H3/t5-/m0/s1","InChI=1S/C5H9NO/c1-4-2-3-7-5(4)6/h4,6H,2-3H2,1H3/b6-5-/t4-/m0/s1",50.7006,-7.5831,
14796,[C:1]([C@@:2]([C:3]([C:4]([O:5][H:16])([H:14])[H:15])([H:12])[H:13])([C:6]#[N:7])[H:11])([H:8])([H:9])[H:10],[C:1](=[C:2]([C:6]#[N:7])[H:11])([H:8])[H:10].[C:3](=[C:4]([O:5][H:16])[H:15])([H:12])[H:13].[H:9][H:14],"InChI=1S/C5H9NO/c1-5(4-6)2-3-7/h5,7H,2-3H2,1H3/t5-/m0/s1","InChI=1S/C3H3N.C2H4O.H2/c1-2-3-4;1-2-3;/h2H,1H2;2-3H,1H2;1H",72.51423,48.07498,
14797,[C:1]([C@@:2]([C:3]([C:4]([O:5][H:16])([H:14])[H:15])([H:12])[H:13])([C:6]#[N:7])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:6]=[N:7][C@:4]([C:3]([H:12])([H:13])[H:15])([O:5][H:16])[H:14])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-5(4-6)2-3-7/h5,7H,2-3H2,1H3/t5-/m0/s1","InChI=1S/C5H9NO/c1-3-4-6-5(2)7/h3,5,7H,1-2H3/t5-/m0/s1",81.62546,18.20073,
14798,[C:1]([C@@:2]([C:3]([C:4]([O:5][H:16])([H:14])[H:15])([H:12])[H:13])([C:6]#[N:7])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:6]([C:3]([C:4]([O:5][H:16])([H:14])[H:15])([H:12])[H:13])=[N:7]1)([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-5(4-6)2-3-7/h5,7H,2-3H2,1H3/t5-/m0/s1","InChI=1S/C5H9NO/c1-4-5(6-4)2-3-7/h4,7H,2-3H2,1H3/t4-/m0/s1",86.8706,36.79466,
14799,[C:1](#[C:2][C@@:3]1([H:9])[N:4]([H:10])[C@:5]1([C:6]#[N:7])[H:11])[H:8],[C:1](=[C:2]=[C:3]1[N:4]([H:10])[C@:5]1([C:6]#[N:7])[H:11])([H:8])[H:9],"InChI=1S/C5H4N2/c1-2-4-5(3-6)7-4/h1,4-5,7H/t4-,5+/m1/s1","InChI=1S/C5H4N2/c1-2-4-5(3-6)7-4/h5,7H,1H2/t5-/m0/s1",86.22939000000001,1.53244,
14800,[C:1](#[C:2][C@@:3]1([H:9])[N:4]([H:10])[C@:5]1([C:6]#[N:7])[H:11])[H:8],[C+:1](=[C:2]=[C-:3][C@@:5]([N:4]([H:9])[H:10])([C:6]#[N:7])[H:11])[H:8],"InChI=1S/C5H4N2/c1-2-4-5(3-6)7-4/h1,4-5,7H/t4-,5+/m1/s1","InChI=1S/C5H4N2/c1-2-3-5(7)4-6/h1,5H,7H2/t5-/m1/s1",56.020619999999994,48.58533,
14801,[C:1](#[C:2][C@@:3]1([H:9])[N:4]([H:10])[C@:5]1([C:6]#[N:7])[H:11])[H:8],[C:1]1([H:8])=[C:2]=[C:3]1[H:9].[N:4](=[C:5](\[C:6]#[N:7])[H:11])\[H:10],"InChI=1S/C5H4N2/c1-2-4-5(3-6)7-4/h1,4-5,7H/t4-,5+/m1/s1","InChI=1S/C3H2.C2H2N2/c1-2-3-1;3-1-2-4/h1-2H;1,3H/b;3-1-",71.94054,47.8979,
14802,[C:1](#[C:2][C@@:3]1([H:9])[N:4]([H:10])[C@:5]1([C:6]#[N:7])[H:11])[H:8],[C:1](=[C+:2][C@@:3]1([H:9])[N:4]([H:10])[C:5]1=[C:6]=[N-:7])([H:8])[H:11],"InChI=1S/C5H4N2/c1-2-4-5(3-6)7-4/h1,4-5,7H/t4-,5+/m1/s1","InChI=1S/C5H4N2/c1-2-4-5(3-6)7-4/h4,7H,1H2/t4-/m1/s1",107.6667,38.87892,
14803,[C:1](#[C:2][C@@:3]1([H:9])[N:4]([H:10])[C@:5]1([C:6]#[N:7])[H:11])[H:8],[C:1](#[C:2][C:3]([N:4]([C+:5]=[C:6]=[N-:7])[H:10])([H:9])[H:11])[H:8],"InChI=1S/C5H4N2/c1-2-4-5(3-6)7-4/h1,4-5,7H/t4-,5+/m1/s1","InChI=1S/C5H4N2/c1-2-4-7-5-3-6/h1,7H,4H2",69.05830999999999,19.85524,
14804,[C:1](#[C:2][C@@:3]1([H:9])[N:4]([H:10])[C@:5]1([C:6]#[N:7])[H:11])[H:8],[C:1](#[C:2][C@@:3]1([H:9])[N+:4]([H:10])([H:11])[C-:5]1[C:6]#[N:7])[H:8],"InChI=1S/C5H4N2/c1-2-4-5(3-6)7-4/h1,4-5,7H/t4-,5+/m1/s1","InChI=1S/C5H4N2/c1-2-4-5(3-6)7-4/h1,4H,7H2/t4-/m1/s1",57.38564,41.89926,
14805,[C:1](#[C:2][C@@:3]1([H:9])[N:4]([H:10])[C@:5]1([C:6]#[N:7])[H:11])[H:8],[C:1]1([H:8])=[C:2]=[C:3]([H:9])[N:4]([H:10])[C@:5]2([H:11])[C:6]1=[N:7]2,"InChI=1S/C5H4N2/c1-2-4-5(3-6)7-4/h1,4-5,7H/t4-,5+/m1/s1","InChI=1S/C5H4N2/c1-2-4-5(7-4)6-3-1/h2-3,5-6H/t5-/m0/s1",53.42171,41.05322,
14806,[C:1](#[C:2][C@@:3]1([H:9])[N:4]([H:10])[C@:5]1([C:6]#[N:7])[H:11])[H:8],[C:1](#[C:2][C@@:3]1([H:9])[N:4]([H:10])[C@:5]1([N+:7]#[C-:6])[H:11])[H:8],"InChI=1S/C5H4N2/c1-2-4-5(3-6)7-4/h1,4-5,7H/t4-,5+/m1/s1","InChI=1S/C5H4N2/c1-3-4-5(6-2)7-4/h1,4-5,7H/t4-,5-/m1/s1",57.83169,24.8075,
14807,[C:1](#[C:2][C@@:3]1([H:9])[N:4]([H:10])[C@:5]1([C:6]#[N:7])[H:11])[H:8],[C:1]1([H:8])=[C:2]2[C@:3]1([H:9])[N:4]([H:10])[C:5]([H:11])=[C:6]=[N:7]2,"InChI=1S/C5H4N2/c1-2-4-5(3-6)7-4/h1,4-5,7H/t4-,5+/m1/s1","InChI=1S/C5H4N2/c1-2-7-5-3-4(5)6-1/h1,3-4,6H/t4-/m1/s1",72.47561999999999,56.245540000000005,
14808,[C:1](#[C:2][C@@:3]1([H:9])[N:4]([H:10])[C@:5]1([C:6]#[N:7])[H:11])[H:8],[C:1](=[C:2]=[C:3](/[C:5](=[N:4]\[H:10])[H:11])[H:9])([C:6]#[N:7])[H:8],"InChI=1S/C5H4N2/c1-2-4-5(3-6)7-4/h1,4-5,7H/t4-,5+/m1/s1","InChI=1S/C5H4N2/c6-4-2-1-3-5-7/h2-4,6H/b6-4-",69.18665,-26.00935,
14809,[C:1](#[C:2][C@@:3]1([H:9])[N:4]([H:10])[C@:5]1([C:6]#[N:7])[H:11])[H:8],[C:1]=[C:2]([C@@:3]1([H:9])[N:4]([H:10])[C@:5]1([C:6]#[N:7])[H:11])[H:8],"InChI=1S/C5H4N2/c1-2-4-5(3-6)7-4/h1,4-5,7H/t4-,5+/m1/s1","InChI=1S/C5H4N2/c1-2-4-5(3-6)7-4/h2,4-5,7H/t4-,5+/m1/s1",45.78111,52.53221,Singlet_Carbene_Intra_Disproportionation
14810,[C:1](#[C:2][C@@:3]1([H:9])[N:4]([H:10])[C@:5]1([C:6]#[N:7])[H:11])[H:8],[C:1]1([H:8])=[C:2]=[C:3]([H:9])[N:4]([H:10])[C:5]([H:11])=[C:6]=[N:7]1,"InChI=1S/C5H4N2/c1-2-4-5(3-6)7-4/h1,4-5,7H/t4-,5+/m1/s1","InChI=1S/C5H4N2/c1-2-6-4-5-7-3-1/h2-4,6H",33.70795,25.0398,
14811,[C:1](#[C:2][C@@:3]1([H:9])[N:4]([H:10])[C@:5]1([C:6]#[N:7])[H:11])[H:8],[C:1]1([H:8])=[C:2]=[C:3]([H:9])[N:4]([H:10])[C@:5]1([C:6]#[N:7])[H:11],"InChI=1S/C5H4N2/c1-2-4-5(3-6)7-4/h1,4-5,7H/t4-,5+/m1/s1","InChI=1S/C5H4N2/c6-4-5-2-1-3-7-5/h2-3,5,7H/t5-/m1/s1",66.54661,8.10961,
14812,[C:1](#[C:2][C@@:3]1([H:9])[N:4]([H:10])[C@:5]1([C:6]#[N:7])[H:11])[H:8],[C:1](#[C:2][C+:3]([N:4]([C:5](=[C:6]=[N-:7])[H:11])[H:10])[H:9])[H:8],"InChI=1S/C5H4N2/c1-2-4-5(3-6)7-4/h1,4-5,7H/t4-,5+/m1/s1","InChI=1S/C5H4N2/c1-2-4-7-5-3-6/h1,4-5,7H",24.899070000000002,-2.43125,
14813,[C:1](#[C:2][C@@:3]1([H:9])[N:4]([H:10])[C@:5]1([C:6]#[N:7])[H:11])[H:8],[C:1]=[C:2]1[C@@:3]2([H:9])[N:4]([H:10])[C@@:5]2([H:11])/[C:6]1=[N:7]/[H:8],"InChI=1S/C5H4N2/c1-2-4-5(3-6)7-4/h1,4-5,7H/t4-,5+/m1/s1","InChI=1S/C5H4N2/c1-2-3(6)5-4(2)7-5/h4-7H/b6-3+/t4-,5+/m1/s1",77.07905,65.95045999999999,
14814,[C:1](#[C:2][C@@:3]1([H:9])[N:4]([H:10])[C@:5]1([C:6]#[N:7])[H:11])[H:8],[C:1](/[C:2](=[C:3]1\[N:4]([H:10])[C@:5]1([C:6]#[N:7])[H:11])[H:9])[H:8],"InChI=1S/C5H4N2/c1-2-4-5(3-6)7-4/h1,4-5,7H/t4-,5+/m1/s1","InChI=1S/C5H4N2/c1-2-4-5(3-6)7-4/h1-2,5,7H/b4-2-/t5-/m0/s1",73.00367,59.8394,
14815,[C:1](#[C:2][C@@:3]1([H:9])[N:4]([H:10])[C@:5]1([C:6]#[N:7])[H:11])[H:8],[C:1]1([H:8])=[C:2]2[C@:3]1([H:9])[N:4]([H:10])[C+:5]([H:11])[C:6]2=[N-:7],"InChI=1S/C5H4N2/c1-2-4-5(3-6)7-4/h1,4-5,7H/t4-,5+/m1/s1","InChI=1S/C5H4N2/c6-4-2-7-5-1-3(4)5/h1-2,5,7H/t5-/m1/s1",91.77188000000001,52.17302,
14816,[C:1](#[C:2][C@@:3]1([H:9])[N:4]([H:10])[C@:5]1([C:6]#[N:7])[H:11])[H:8],[C:1](#[C:2][C@@:3]1([H:9])[N:4]([H:10])[C:5]1=[C:6]=[N:7][H:11])[H:8],"InChI=1S/C5H4N2/c1-2-4-5(3-6)7-4/h1,4-5,7H/t4-,5+/m1/s1","InChI=1S/C5H4N2/c1-2-4-5(3-6)7-4/h1,4,6-7H/t4-/m1/s1",102.00395999999999,28.64113,
14817,[C:1](#[C:2][C@@:3]1([H:9])[N:4]([H:10])[C@:5]1([C:6]#[N:7])[H:11])[H:8],[C-:1](=[C:2]([C@@:3]1([H:9])[N:4]([H:10])[C+:5]1[H:11])[C:6]#[N:7])[H:8],"InChI=1S/C5H4N2/c1-2-4-5(3-6)7-4/h1,4-5,7H/t4-,5+/m1/s1","InChI=1S/C5H4N2/c1-4(2-6)5-3-7-5/h1,3,5,7H/t5-/m0/s1",73.46894,65.88677,
14818,[C:1](#[C:2][C@@:3]1([H:9])[N:4]([H:10])[C@:5]1([C:6]#[N:7])[H:11])[H:8],[C:1](#[C:2]/[C:3](=[N:4]/[C:5]([C:6]#[N:7])([H:10])[H:11])[H:9])[H:8],"InChI=1S/C5H4N2/c1-2-4-5(3-6)7-4/h1,4-5,7H/t4-,5+/m1/s1","InChI=1S/C5H4N2/c1-2-4-7-5-3-6/h1,4H,5H2/b7-4+",70.77063000000001,-9.124,
14819,[C:1](#[C:2][C@@:3]1([H:9])[N:4]([H:10])[C@:5]1([C:6]#[N:7])[H:11])[H:8],[C:1](#[C:2][C@@:3]([N:4]([C:5][H:11])[H:10])([C:6]#[N:7])[H:9])[H:8],"InChI=1S/C5H4N2/c1-2-4-5(3-6)7-4/h1,4-5,7H/t4-,5+/m1/s1","InChI=1S/C5H4N2/c1-3-5(4-6)7-2/h1-2,5,7H/t5-/m1/s1",81.73210999999999,41.041470000000004,
14820,[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C@:4]1([O:5][H:13])[C:6]([H:14])([H:15])[O:7]2)([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:3]([H:12])[C@:4]([O:5][H:13])([H:11])[C:6]([H:14])([H:15])[O:7]1)([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-4-2-5(4,6)3-7-4/h6H,2-3H2,1H3/t4-,5+/m1/s1","InChI=1S/C5H8O2/c1-4-2-5(6)3-7-4/h2,5-6H,3H2,1H3/t5-/m1/s1",63.28957,-36.27321,
14821,[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C@:4]1([O:5][H:13])[C:6]([H:14])([H:15])[O:7]2)([H:8])([H:9])[H:10],[C:1]([C-:2]=[O+:7][C:6]([C:4](=[C:3]([H:11])[H:12])[O:5][H:13])([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-4-2-5(4,6)3-7-4/h6H,2-3H2,1H3/t4-,5+/m1/s1","InChI=1S/C5H8O2/c1-3-7-4-5(2)6/h6H,2,4H2,1H3",39.78326,25.81745,
14822,[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C@:4]1([O:5][H:13])[C:6]([H:14])([H:15])[O:7]2)([H:8])([H:9])[H:10],[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C@:4]1([O:5][H:13])[C-:6]=[O+:7]2)([H:8])([H:9])[H:10].[H:14][H:15],"InChI=1S/C5H8O2/c1-4-2-5(4,6)3-7-4/h6H,2-3H2,1H3/t4-,5+/m1/s1","InChI=1S/C5H6O2.H2/c1-4-2-5(4,6)3-7-4;/h6H,2H2,1H3;1H/t4-,5+;/m1./s1",78.16924,72.57955,
14823,[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C@:4]1([O:5][H:13])[C:6]([H:14])([H:15])[O:7]2)([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:4]([O:5][H:13])[C:3]1([H:11])[H:12])([H:8])([H:9])[H:10].[C:6](=[O:7])([H:14])[H:15],"InChI=1S/C5H8O2/c1-4-2-5(4,6)3-7-4/h6H,2-3H2,1H3/t4-,5+/m1/s1","InChI=1S/C4H6O.CH2O/c1-3-2-4(3)5;1-2/h5H,2H2,1H3;1H2",50.490840000000006,21.0694,2+2_cycloaddition
14824,[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C@:4]1([O:5][H:13])[C:6]([H:14])([H:15])[O:7]2)([H:8])([H:9])[H:10],[C:1]([C@@:2]1([O:7][C:6]([H:13])([H:14])[H:15])[C:3]([H:11])([H:12])[C:4]1=[O:5])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-4-2-5(4,6)3-7-4/h6H,2-3H2,1H3/t4-,5+/m1/s1","InChI=1S/C5H8O2/c1-5(7-2)3-4(5)6/h3H2,1-2H3/t5-/m1/s1",72.98709000000001,-1.3963700000000001,
14825,[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C@:4]1([O:5][H:13])[C:6]([H:14])([H:15])[O:7]2)([H:8])([H:9])[H:10],[C:1]([C@@:2]1([C:3]([C:4][O:5][H:13])([H:11])[H:12])[C:6]([H:14])([H:15])[O:7]1)([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-4-2-5(4,6)3-7-4/h6H,2-3H2,1H3/t4-,5+/m1/s1","InChI=1S/C5H8O2/c1-5(2-3-6)4-7-5/h6H,2,4H2,1H3/t5-/m1/s1",51.15129,35.54119,
14826,[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C@:4]1([O:5][H:13])[C:6]([H:14])([H:15])[O:7]2)([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]([H:11])[H:12])[C@:4]1([O:5][H:13])[C:6]([H:14])([H:15])[O:7]1)([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-4-2-5(4,6)3-7-4/h6H,2-3H2,1H3/t4-,5+/m1/s1","InChI=1S/C5H8O2/c1-4(2)5(6)3-7-5/h6H,1,3H2,2H3/t5-/m0/s1",45.22885,-16.16875,
14827,[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C@:4]1([O:5][H:13])[C:6]([H:14])([H:15])[O:7]2)([H:8])([H:9])[H:10],[C:1]([C:2]([C:4]1([O:5][H:13])[C:3]([H:11])([H:12])[C:6]1([H:14])[H:15])=[O:7])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-4-2-5(4,6)3-7-4/h6H,2-3H2,1H3/t4-,5+/m1/s1","InChI=1S/C5H8O2/c1-4(6)5(7)2-3-5/h7H,2-3H2,1H3",35.0465,-33.63625,
14828,[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C@:4]1([O:5][H:13])[C:6]([H:14])([H:15])[O:7]2)([H:8])([H:9])[H:10],[C:1]([C@@:2]1([C:3]([O:5][H:13])([H:11])[H:12])[C:4][C:6]([H:14])([H:15])[O:7]1)([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-4-2-5(4,6)3-7-4/h6H,2-3H2,1H3/t4-,5+/m1/s1","InChI=1S/C5H8O2/c1-5(4-6)2-3-7-5/h6H,3-4H2,1H3/t5-/m0/s1",84.84491,61.26441,
14829,[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C@:4]1([O:5][H:13])[C:6]([H:14])([H:15])[O:7]2)([H:8])([H:9])[H:10],[C:1]([C@:2]1([O:5][H:13])[C:3]([H:11])([H:12])[C@@:4]12[C:6]([H:14])([H:15])[O:7]2)([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-4-2-5(4,6)3-7-4/h6H,2-3H2,1H3/t4-,5+/m1/s1","InChI=1S/C5H8O2/c1-4(6)2-5(4)3-7-5/h6H,2-3H2,1H3/t4-,5+/m0/s1",75.43439000000001,4.55333,
14830,[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C@:4]1([O:5][H:13])[C:6]([H:14])([H:15])[O:7]2)([H:8])([H:9])[H:10],[C:1](=[C:2]1[C:3]([H:11])([H:12])[C@:4]1([O:5][H:13])[C:6]([O:7][H:10])([H:14])[H:15])([H:8])[H:9],"InChI=1S/C5H8O2/c1-4-2-5(4,6)3-7-4/h6H,2-3H2,1H3/t4-,5+/m1/s1","InChI=1S/C5H8O2/c1-4-2-5(4,7)3-6/h6-7H,1-3H2/t5-/m0/s1",60.23271999999999,-4.593459999999999,
14831,[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C@:4]1([O:5][H:13])[C:6]([H:14])([H:15])[O:7]2)([H:8])([H:9])[H:10],[C:1]([C@:4]1([O:5][H:13])[C:3]([H:11])([H:12])[C-:2]=[O+:7][C:6]1([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-4-2-5(4,6)3-7-4/h6H,2-3H2,1H3/t4-,5+/m1/s1","InChI=1S/C5H8O2/c1-5(6)2-3-7-4-5/h6H,2,4H2,1H3/t5-/m0/s1",67.74513,11.97625,
14832,[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C@:4]1([O:5][H:13])[C:6]([H:14])([H:15])[O:7]2)([H:8])([H:9])[H:10],[C:1]([C@@:2]1([O+:7]=[C-:6][H:15])[C:3]([H:11])([H:12])[C@:4]1([O:5][H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-4-2-5(4,6)3-7-4/h6H,2-3H2,1H3/t4-,5+/m1/s1","InChI=1S/C5H8O2/c1-5(7-2)3-4(5)6/h2,4,6H,3H2,1H3/t4-,5-/m1/s1",75.48131,45.88817,
14833,[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C@:4]1([O:5][H:13])[C:6]([H:14])([H:15])[O:7]2)([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]([H:11])[H:12])[O:7][C:6]([C:4][O:5][H:13])([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-4-2-5(4,6)3-7-4/h6H,2-3H2,1H3/t4-,5+/m1/s1","InChI=1S/C5H8O2/c1-5(2)7-4-3-6/h6H,1,4H2,2H3",35.85207,29.64123,
14834,[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C@:4]1([O:5][H:13])[C:6]([H:14])([H:15])[O:7]2)([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:4]([O:5][H:13])[C:6]([H:14])([H:15])[O:7][C:3]1([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-4-2-5(4,6)3-7-4/h6H,2-3H2,1H3/t4-,5+/m1/s1","InChI=1S/C5H8O2/c1-4-2-7-3-5(4)6/h6H,2-3H2,1H3",48.06638,-32.19957,
14835,[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C@:4]1([O:5][H:13])[C:6]([H:14])([H:15])[O:7]2)([H:8])([H:9])[H:10],[C:1]([C@@:2]12[C:3]([H:11])=[C:4]1[C:6]([H:14])([H:15])[O:7]2)([H:8])([H:9])[H:10].[O:5]([H:12])[H:13],"InChI=1S/C5H8O2/c1-4-2-5(4,6)3-7-4/h6H,2-3H2,1H3/t4-,5+/m1/s1","InChI=1S/C5H6O.H2O/c1-5-2-4(5)3-6-5;/h2H,3H2,1H3;1H2/t5-;/m1./s1",81.2952,65.79493000000001,
14836,[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C@:4]1([O:5][H:13])[C:6]([H:14])([H:15])[O:7]2)([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:12])[C:3]([H:11])=[C:4]([O:5][H:13])[C:6]([H:14])([H:15])[O:7]1)([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-4-2-5(4,6)3-7-4/h6H,2-3H2,1H3/t4-,5+/m1/s1","InChI=1S/C5H8O2/c1-4-2-5(6)3-7-4/h2,4,6H,3H2,1H3/t4-/m0/s1",59.01855,-32.564679999999996,
14837,[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C@:4]1([O:5][H:13])[C:6]([H:14])([H:15])[O:7]2)([H:8])([H:9])[H:10],[C:1]([C@:2]1([C:4](=[C:3]([H:11])[H:12])[O:5][H:13])[C:6]([H:14])([H:15])[O:7]1)([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-4-2-5(4,6)3-7-4/h6H,2-3H2,1H3/t4-,5+/m1/s1","InChI=1S/C5H8O2/c1-4(6)5(2)3-7-5/h6H,1,3H2,2H3/t5-/m1/s1",45.181290000000004,-15.707429999999999,
14838,[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C@:4]1([O:5][H:13])[C:6]([H:14])([H:15])[O:7]2)([H:8])([H:9])[H:10],[C:1]([C:2]1=[O+:7][C-:6]([H:15])[C@:4]1([C:3]([H:11])([H:12])[H:14])[O:5][H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-4-2-5(4,6)3-7-4/h6H,2-3H2,1H3/t4-,5+/m1/s1","InChI=1S/C5H8O2/c1-4-5(2,6)3-7-4/h3,6H,1-2H3/t5-/m0/s1",68.19317,39.15814,
14839,[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C@:4]1([O:5][H:13])[C:6]([H:14])([H:15])[O:7]2)([H:8])([H:9])[H:10],[C:1]([C@:2]1([C:4][O:5][H:13])[C:3]([H:11])([H:12])[C:6]([H:14])([H:15])[O:7]1)([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-4-2-5(4,6)3-7-4/h6H,2-3H2,1H3/t4-,5+/m1/s1","InChI=1S/C5H8O2/c1-5(4-6)2-3-7-5/h6H,2-3H2,1H3/t5-/m1/s1",89.72088000000001,36.71134,
14840,[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C@:4]1([O:5][H:13])[C:6]([H:14])([H:15])[O:7]2)([H:8])([H:9])[H:10],[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[C:4](=[O:5])[C:6]([H:14])([H:15])[O:7]1)([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-4-2-5(4,6)3-7-4/h6H,2-3H2,1H3/t4-,5+/m1/s1","InChI=1S/C5H8O2/c1-5(2)4(6)3-7-5/h3H2,1-2H3",55.12869,-29.454359999999998,
14841,[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C@:4]1([O:5][H:13])[C:6]([H:14])([H:15])[O:7]2)([H:8])([H:9])[H:10],[C:1]([C@:2]1([O:5][H:13])[C:4](=[C:3]([H:11])[H:12])[C:6]([H:14])([H:15])[O:7]1)([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-4-2-5(4,6)3-7-4/h6H,2-3H2,1H3/t4-,5+/m1/s1","InChI=1S/C5H8O2/c1-4-3-7-5(4,2)6/h6H,1,3H2,2H3/t5-/m1/s1",41.03794,-20.93691,
14842,[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C@:4]1([O:5][H:13])[C:6]([H:14])([H:15])[O:7]2)([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]([H:11])[H:12])[C+:4]([O:5][H:13])[C:6]([O-:7])([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-4-2-5(4,6)3-7-4/h6H,2-3H2,1H3/t4-,5+/m1/s1","InChI=1S/C5H8O2/c1-4(2)5(7)3-6/h7H,1,3H2,2H3",48.10082,11.49871,
14843,[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C@:4]1([O:5][H:13])[C:6]([H:14])([H:15])[O:7]2)([H:8])([H:9])[H:10],[C:1]([O:7][C:6]([C@:4]1([O:5][H:13])[C:2][C:3]1([H:11])[H:12])([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-4-2-5(4,6)3-7-4/h6H,2-3H2,1H3/t4-,5+/m1/s1","InChI=1S/C5H8O2/c1-7-4-5(6)2-3-5/h6H,2,4H2,1H3/t5-/m1/s1",105.18008999999999,77.24019,
14844,[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C@:4]1([O:5][H:13])[C:6]([H:14])([H:15])[O:7]2)([H:8])([H:9])[H:10],[C:1]([C@:2]1([H:12])[C:3]([H:11])=[C:4]1[O:5][H:13])([H:8])([H:9])[H:10].[C:6](=[O:7])([H:14])[H:15],"InChI=1S/C5H8O2/c1-4-2-5(4,6)3-7-4/h6H,2-3H2,1H3/t4-,5+/m1/s1","InChI=1S/C4H6O.CH2O/c1-3-2-4(3)5;1-2/h2-3,5H,1H3;1H2/t3-;/m1./s1",90.44696,23.63414,
14845,[C:1]([C@@:2]1([H:11])[O:3][C@@:4]2([H:12])[C:5]([H:13])([H:14])[C@@:6]12[C:7]([H:15])([H:16])[H:17])([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:6](\[C:5]([C:4](=[O:3])[H:12])([H:13])[H:14])[C:7]([H:15])([H:16])[H:17])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-6(2)3-5(6)7-4/h4-5H,3H2,1-2H3/t4-,5+,6+/m1/s1","InChI=1S/C6H10O/c1-3-6(2)4-5-7/h3,5H,4H2,1-2H3/b6-3-",34.15187,-31.8964,
14846,[C:1]([C@@:2]1([H:11])[O:3][C@@:4]2([H:12])[C:5]([H:13])([H:14])[C@@:6]12[C:7]([H:15])([H:16])[H:17])([H:8])([H:9])[H:10],[C:1]([C:6]1([C:7]([H:15])([H:16])[H:17])[C:2]([H:11])=[O+:3][C-:4]([H:12])[C:5]1([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-6(2)3-5(6)7-4/h4-5H,3H2,1-2H3/t4-,5+,6+/m1/s1","InChI=1S/C6H10O/c1-6(2)3-4-7-5-6/h4-5H,3H2,1-2H3",70.86431,16.8049,
14847,[C:1]([C@@:2]1([H:11])[O:3][C@@:4]2([H:12])[C:5]([H:13])([H:14])[C@@:6]12[C:7]([H:15])([H:16])[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C@:6]1([C:5][H:14])[C:7]([H:15])([H:16])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-6(2)3-5(6)7-4/h4-5H,3H2,1-2H3/t4-,5+,6+/m1/s1","InChI=1S/C6H10O/c1-5-6(2,3)4-7-5/h2,5H,4H2,1,3H3/t5-,6+/m1/s1",63.95429,67.44499,
14848,[C:1]([C@@:2]1([H:11])[O:3][C@@:4]2([H:12])[C:5]([H:13])([H:14])[C@@:6]12[C:7]([H:15])([H:16])[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[O:3][C@:4]([C:5][H:13])([H:12])[C@@:6]1([C:7]([H:15])([H:16])[H:17])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-6(2)3-5(6)7-4/h4-5H,3H2,1-2H3/t4-,5+,6+/m1/s1","InChI=1S/C6H10O/c1-4-5(2)7-6(4)3/h2,4-6H,1,3H3/t4-,5-,6+/m0/s1",60.68396,64.07608,
14849,[C:1]([C@@:2]1([H:11])[O:3][C@@:4]2([H:12])[C:5]([H:13])([H:14])[C@@:6]12[C:7]([H:15])([H:16])[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]([O:3][C:4](=[C:5]([H:13])[H:14])[H:12])([C:6](=[C:7]([H:16])[H:17])[H:15])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-6(2)3-5(6)7-4/h4-5H,3H2,1-2H3/t4-,5+,6+/m1/s1","InChI=1S/C6H10O/c1-4-6(3)7-5-2/h4-6H,1-2H2,3H3/t6-/m1/s1",73.23725999999999,-13.8333,
14850,[C:1]([C@@:2]1([H:11])[O:3][C@@:4]2([H:12])[C:5]([H:13])([H:14])[C@@:6]12[C:7]([H:15])([H:16])[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[O+:3]=[C-:4][C:5]([H:13])([H:14])[C@:6]1([C:7]([H:15])([H:16])[H:17])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-6(2)3-5(6)7-4/h4-5H,3H2,1-2H3/t4-,5+,6+/m1/s1","InChI=1S/C6H10O/c1-5-3-4-7-6(5)2/h5-6H,3H2,1-2H3/t5-,6-/m1/s1",52.5918,9.59228,
14851,[C:1]([C@@:2]1([H:11])[O:3][C@@:4]2([H:12])[C:5]([H:13])([H:14])[C@@:6]12[C:7]([H:15])([H:16])[H:17])([H:8])([H:9])[H:10],[C:1](=[C:2]([O:3][C@@:4]1([H:12])[C:5]([H:13])([H:14])[C:6]1=[C:7]([H:16])[H:17])[H:11])([H:8])[H:9].[H:10][H:15],"InChI=1S/C6H10O/c1-4-6(2)3-5(6)7-4/h4-5H,3H2,1-2H3/t4-,5+,6+/m1/s1","InChI=1S/C6H8O.H2/c1-3-7-6-4-5(6)2;/h3,6H,1-2,4H2;1H/t6-;/m0./s1",79.63577,35.31129,
14852,[C:1]([C@@:2]1([H:11])[O:3][C@@:4]2([H:12])[C:5]([H:13])([H:14])[C@@:6]12[C:7]([H:15])([H:16])[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]([O:3][C:4](=[C:5]([H:13])[H:14])[H:12])([C:6][C:7]([H:15])([H:16])[H:17])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-6(2)3-5(6)7-4/h4-5H,3H2,1-2H3/t4-,5+,6+/m1/s1","InChI=1S/C6H10O/c1-4-6(3)7-5-2/h5-6H,2H2,1,3H3/t6-/m1/s1",61.375319999999995,57.881840000000004,
14853,[C:1]([C@@:2]1([H:11])[O:3][C@@:4]2([H:12])[C:5]([H:13])([H:14])[C@@:6]12[C:7]([H:15])([H:16])[H:17])([H:8])([H:9])[H:10],[C:1](=[C:2]([C@@:6]1([C:7]([H:15])([H:16])[H:17])[C@:4]([O:3][H:10])([H:12])[C:5]1([H:13])[H:14])[H:11])([H:8])[H:9],"InChI=1S/C6H10O/c1-4-6(2)3-5(6)7-4/h4-5H,3H2,1-2H3/t4-,5+,6+/m1/s1","InChI=1S/C6H10O/c1-3-6(2)4-5(6)7/h3,5,7H,1,4H2,2H3/t5-,6+/m0/s1",55.40294,-13.4467,
14854,[C:1]([C@@:2]1([H:11])[O:3][C@@:4]2([H:12])[C:5]([H:13])([H:14])[C@@:6]12[C:7]([H:15])([H:16])[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]([O:3][H:12])([C@@:6]1([C:7]([H:15])([H:16])[H:17])[C:4][C:5]1([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-6(2)3-5(6)7-4/h4-5H,3H2,1-2H3/t4-,5+,6+/m1/s1","InChI=1S/C6H10O/c1-5(7)6(2)3-4-6/h5,7H,3H2,1-2H3/t5-,6-/m1/s1",62.822880000000005,58.7925,
14855,[C:1]([C@@:2]1([H:11])[O:3][C@@:4]2([H:12])[C:5]([H:13])([H:14])[C@@:6]12[C:7]([H:15])([H:16])[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:14])[C:5]([H:13])=[C:6]1[C:7]([H:15])([H:16])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-6(2)3-5(6)7-4/h4-5H,3H2,1-2H3/t4-,5+,6+/m1/s1","InChI=1S/C6H10O/c1-5-3-4-7-6(5)2/h3,6H,4H2,1-2H3/t6-/m1/s1",65.0616,-30.16446,
14856,[C:1]([C@@:2]1([H:11])[O:3][C@@:4]2([H:12])[C:5]([H:13])([H:14])[C@@:6]12[C:7]([H:15])([H:16])[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[O:3][C@@:4]([C:7]([H:15])([H:16])[H:17])([H:12])[C:5]([H:13])([H:14])[C:6]1)([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-6(2)3-5(6)7-4/h4-5H,3H2,1-2H3/t4-,5+,6+/m1/s1","InChI=1S/C6H10O/c1-5-3-4-6(2)7-5/h5-6H,3H2,1-2H3/t5-,6-/m1/s1",80.64506,39.65659,
14857,[C:1]([C@@:2]1([H:11])[O:3][C@@:4]2([H:12])[C:5]([H:13])([H:14])[C@@:6]12[C:7]([H:15])([H:16])[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])=[C:6]1[C:5]([C:7]([H:15])([H:16])[H:17])([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-6(2)3-5(6)7-4/h4-5H,3H2,1-2H3/t4-,5+,6+/m1/s1","InChI=1S/C6H10O/c1-3-6-4-7-5(6)2/h4-5H,3H2,1-2H3/t5-/m1/s1",91.6133,-8.43361,
14858,[C:1]([C@@:2]1([H:11])[O:3][C@@:4]2([H:12])[C:5]([H:13])([H:14])[C@@:6]12[C:7]([H:15])([H:16])[H:17])([H:8])([H:9])[H:10],[C:1]([C:2](=[O:3])[H:11])([H:8])([H:9])[H:10].[C:4]1([H:12])=[C:6]([C:7]([H:15])([H:16])[H:17])[C:5]1([H:13])[H:14],"InChI=1S/C6H10O/c1-4-6(2)3-5(6)7-4/h4-5H,3H2,1-2H3/t4-,5+,6+/m1/s1","InChI=1S/C4H6.C2H4O/c1-4-2-3-4;1-2-3/h2H,3H2,1H3;2H,1H3",56.18475,18.02124,2+2_cycloaddition
14859,[C:1]([C@@:2]1([H:11])[O:3][C@@:4]2([H:12])[C:5]([H:13])([H:14])[C@@:6]12[C:7]([H:15])([H:16])[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[O+:3]=[C-:4][C:6]1([C:5]([H:12])([H:13])[H:14])[C:7]([H:15])([H:16])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-6(2)3-5(6)7-4/h4-5H,3H2,1-2H3/t4-,5+,6+/m1/s1","InChI=1S/C6H10O/c1-5-6(2,3)4-7-5/h5H,1-3H3/t5-/m1/s1",47.50878,28.051859999999998,
14860,[C:1]([C@@:2]1([H:11])[O:3][C@@:4]2([H:12])[C:5]([H:13])([H:14])[C@@:6]12[C:7]([H:15])([H:16])[H:17])([H:8])([H:9])[H:10],[C-:2]1=[O+:3][C@@:4]2([H:12])[C:5]([H:13])([H:14])[C@@:6]12[C:7]([H:15])([H:16])[H:17].[C:1]([H:8])([H:9])([H:10])[H:11],"InChI=1S/C6H10O/c1-4-6(2)3-5(6)7-4/h4-5H,3H2,1-2H3/t4-,5+,6+/m1/s1","InChI=1S/C5H6O.CH4/c1-5-2-4(5)6-3-5;/h4H,2H2,1H3;1H4/t4-,5-;/m0./s1",74.7647,63.298669999999994,
14861,[C:1]([C@@:2]1([H:11])[O:3][C@@:4]2([H:12])[C:5]([H:13])([H:14])[C@@:6]12[C:7]([H:15])([H:16])[H:17])([H:8])([H:9])[H:10],[C:1]([O:3][C@@:4]1([H:12])[C:5]([H:13])([H:14])[C@:6]1([C:2][H:11])[C:7]([H:15])([H:16])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-6(2)3-5(6)7-4/h4-5H,3H2,1-2H3/t4-,5+,6+/m1/s1","InChI=1S/C6H10O/c1-6(2)4-5(6)7-3/h1,5H,4H2,2-3H3/t5-,6-/m0/s1",110.00554,67.9533,
14862,[C:1]([C@@:2]1([H:11])[O:3][C@@:4]2([H:12])[C:5]([H:13])([H:14])[C@@:6]12[C:7]([H:15])([H:16])[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[O:3][C@:4]1([C:5]([C:6][C:7]([H:15])([H:16])[H:17])([H:13])[H:14])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-4-6(2)3-5(6)7-4/h4-5H,3H2,1-2H3/t4-,5+,6+/m1/s1","InChI=1S/C6H10O/c1-3-4-6-5(2)7-6/h5-6H,4H2,1-2H3/t5-,6+/m1/s1",66.40177,65.9883,
14863,[C:1]([C@@:2]1([H:11])[O:3][C@@:4]2([H:12])[C:5]([H:13])([H:14])[C@@:6]12[C:7]([H:15])([H:16])[H:17])([H:8])([H:9])[H:10],[C:1](=[C:2]([O:3][C@@:4]1([H:12])[C:5]([H:13])=[C:6]1[C:7]([H:15])([H:16])[H:17])[H:11])([H:8])[H:9].[H:10][H:14],"InChI=1S/C6H10O/c1-4-6(2)3-5(6)7-4/h4-5H,3H2,1-2H3/t4-,5+,6+/m1/s1","InChI=1S/C6H8O.H2/c1-3-7-6-4-5(6)2;/h3-4,6H,1H2,2H3;1H/t6-;/m0./s1",76.06801999999999,39.164629999999995,
14864,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C:3]([H:11])([H:12])[C@:4]3([H:13])[C:5]([H:14])([H:15])[C@@:6]2([H:16])[C@:7]13[H:17],[C:1]([C@:7]1([H:17])[C@:4]2([H:13])[C:3]([H:11])([H:12])[C:2]([H:10])=[C:6]1[C:5]2([H:14])[H:15])([H:8])([H:9])[H:16],"InChI=1S/C7H10/c1-4-2-6-5(1)3-7(4)6/h4-7H,1-3H2/t4-,5-,6-,7-/m1/s1","InChI=1S/C7H10/c1-5-6-2-3-7(5)4-6/h2,5,7H,3-4H2,1H3/t5-,7+/m0/s1",125.35951999999999,63.0549,
14865,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C:3]([H:11])([H:12])[C@:4]3([H:13])[C:5]([H:14])([H:15])[C@@:6]2([H:16])[C@:7]13[H:17],[C:1]1([H:8])([H:9])[C:2][C@@:6]2([H:16])[C:5]([H:14])([H:15])[C@:4]([C:3]([H:10])([H:11])[H:12])([H:13])[C@@:7]12[H:17],"InChI=1S/C7H10/c1-4-2-6-5(1)3-7(4)6/h4-7H,1-3H2/t4-,5-,6-,7-/m1/s1","InChI=1S/C7H10/c1-5-4-6-2-3-7(5)6/h5-7H,3-4H2,1H3/t5-,6+,7-/m1/s1",72.50925,71.69131,
14866,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C:3]([H:11])([H:12])[C@:4]3([H:13])[C:5]([H:14])([H:15])[C@@:6]2([H:16])[C@:7]13[H:17],[C:1]1([H:8])([H:9])[C:2]([H:10])([H:16])[C:3]([H:11])([H:12])[C@:4]2([H:13])[C:5]([H:14])([H:15])[C:6][C@:7]12[H:17],"InChI=1S/C7H10/c1-4-2-6-5(1)3-7(4)6/h4-7H,1-3H2/t4-,5-,6-,7-/m1/s1","InChI=1S/C7H10/c1-2-6-4-5-7(6)3-1/h6-7H,1-4H2/t6-,7+/m1/s1",56.58067,55.74888000000001,
14867,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C:3]([H:11])([H:12])[C@:4]3([H:13])[C:5]([H:14])([H:15])[C@@:6]2([H:16])[C@:7]13[H:17],[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C:3]([H:11])([H:12])[C:4][C@:7]1([H:17])[C@@:6]2([C:5]([H:13])([H:14])[H:15])[H:16],"InChI=1S/C7H10/c1-4-2-6-5(1)3-7(4)6/h4-7H,1-3H2/t4-,5-,6-,7-/m1/s1","InChI=1S/C7H10/c1-5-6-2-3-7(5)4-6/h5-7H,2,4H2,1H3/t5-,6-,7+/m1/s1",67.33013000000001,59.106559999999995,
14868,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C:3]([H:11])([H:12])[C@:4]3([H:13])[C:5]([H:14])([H:15])[C@@:6]2([H:16])[C@:7]13[H:17],[C:1]1([H:9])=[C:7]([H:17])[C@:6]2([H:16])[C@@:2]1([H:10])[C:3]([H:11])([H:12])[C:4]([H:8])([H:13])[C:5]2([H:14])[H:15],"InChI=1S/C7H10/c1-4-2-6-5(1)3-7(4)6/h4-7H,1-3H2/t4-,5-,6-,7-/m1/s1","InChI=1S/C7H10/c1-2-6-4-5-7(6)3-1/h4-7H,1-3H2/t6-,7+",81.82335,-16.77988,
14869,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C:3]([H:11])([H:12])[C@:4]3([H:13])[C:5]([H:14])([H:15])[C@@:6]2([H:16])[C@:7]13[H:17],[C:1]1([H:8])([H:9])[C@:2]2([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])([H:15])[C@@:7]1([H:17])[C@:6]2([C:5][H:14])[H:16],"InChI=1S/C7H10/c1-4-2-6-5(1)3-7(4)6/h4-7H,1-3H2/t4-,5-,6-,7-/m1/s1","InChI=1S/C7H10/c1-5-6-2-3-7(5)4-6/h1,5-7H,2-4H2/t5-,6-,7+",72.04897,71.04196,
14870,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C:3]([H:11])([H:12])[C@:4]3([H:13])[C:5]([H:14])([H:15])[C@@:6]2([H:16])[C@:7]13[H:17],[C:1]([C@@:2]1([H:10])[C:3]([H:11])([H:12])[C@@:4]2([H:13])[C:5]([H:14])([H:15])[C@:6]1([H:16])[C:7]2([H:8])[H:17])[H:9],"InChI=1S/C7H10/c1-4-2-6-5(1)3-7(4)6/h4-7H,1-3H2/t4-,5-,6-,7-/m1/s1","InChI=1S/C7H10/c1-5-2-6-3-7(5)4-6/h1,5-7H,2-4H2/t5-,6-,7+/m0/s1",75.38752,72.33856,
14871,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C:3]([H:11])([H:12])[C@:4]3([H:13])[C:5]([H:14])([H:15])[C@@:6]2([H:16])[C@:7]13[H:17],[C@:1]12([H:9])[C:2]([H:10])=[C:3]([H:12])[C@:4]3([H:13])[C:5]([H:14])([H:15])[C@@:6]1([H:16])[C@:7]23[H:17].[H:8][H:11],"InChI=1S/C7H10/c1-4-2-6-5(1)3-7(4)6/h4-7H,1-3H2/t4-,5-,6-,7-/m1/s1","InChI=1S/C7H8.H2/c1-2-5-6-3-4(1)7(5)6;/h1-2,4-7H,3H2;1H/t4-,5+,6-,7+;/m1./s1",93.20583,22.57584,
14872,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C:3]([H:11])([H:12])[C@:4]3([H:13])[C:5]([H:14])([H:15])[C@@:6]2([H:16])[C@:7]13[H:17],[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C:3]([H:11])([H:12])[C@@:4]([C:5]([H:14])([H:15])[H:16])([H:13])[C@:7]1([H:17])[C:6]2,"InChI=1S/C7H10/c1-4-2-6-5(1)3-7(4)6/h4-7H,1-3H2/t4-,5-,6-,7-/m1/s1","InChI=1S/C7H10/c1-5-2-6-3-7(5)4-6/h5-7H,2-3H2,1H3/t5-,6+,7-/m0/s1",68.19589,52.405159999999995,
14873,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C:3]([H:11])([H:12])[C@:4]3([H:13])[C:5]([H:14])([H:15])[C@@:6]2([H:16])[C@:7]13[H:17],[C:1](=[C:2]([C:3]([C@:4]1([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])=[C:7]1[H:17])([H:11])[H:12])[H:10])([H:8])[H:9],"InChI=1S/C7H10/c1-4-2-6-5(1)3-7(4)6/h4-7H,1-3H2/t4-,5-,6-,7-/m1/s1","InChI=1S/C7H10/c1-2-4-7-5-3-6-7/h2-3,5,7H,1,4,6H2/t7-/m0/s1",54.03985,-0.7339,
14874,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C:3]([H:11])([H:12])[C@:4]3([H:13])[C:5]([H:14])([H:15])[C@@:6]2([H:16])[C@:7]13[H:17],[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C:3]([H:11])([H:12])[C@:4]([H:13])([C:5]([H:14])([H:15])[C:6]2([H:16])[H:17])[C:7]1,"InChI=1S/C7H10/c1-4-2-6-5(1)3-7(4)6/h4-7H,1-3H2/t4-,5-,6-,7-/m1/s1","InChI=1S/C7H10/c1-2-7-4-3-6(1)5-7/h6-7H,1-3,5H2/t6-,7+/m0/s1",64.49516,35.61916,
14875,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C:3]([H:11])([H:12])[C@:4]3([H:13])[C:5]([H:14])([H:15])[C@@:6]2([H:16])[C@:7]13[H:17],[C:1]1([H:8])([H:9])[C:2]2=[C:3]([H:12])[C@:4]3([H:13])[C:5]([H:14])([H:15])[C@@:6]2([H:16])[C@:7]13[H:17].[H:10][H:11],"InChI=1S/C7H10/c1-4-2-6-5(1)3-7(4)6/h4-7H,1-3H2/t4-,5-,6-,7-/m1/s1","InChI=1S/C7H8.H2/c1-4-2-6-5(1)3-7(4)6;/h1,4,6-7H,2-3H2;1H/t4-,6-,7-;/m1./s1",116.6336,94.21661999999999,
14876,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C:3]([H:11])([H:12])[C@:4]3([H:13])[C:5]([H:14])([H:15])[C@@:6]2([H:16])[C@:7]13[H:17],[C:1]1([H:8])([H:9])[C@:2]2([H:10])[C:3]([H:11])([H:12])[C:4][C:5]([H:14])([H:15])[C@:6]2([H:16])[C:7]1([H:13])[H:17],"InChI=1S/C7H10/c1-4-2-6-5(1)3-7(4)6/h4-7H,1-3H2/t4-,5-,6-,7-/m1/s1","InChI=1S/C7H10/c1-2-6-4-5-7(6)3-1/h6-7H,2-5H2/t6-,7+",61.66369,52.15368,
14877,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C:3]([H:11])([H:12])[C@:4]3([H:13])[C:5]([H:14])([H:15])[C@@:6]2([H:16])[C@:7]13[H:17],[C:1]1([H:8])([H:9])[C:2]([C:6](=[C:5]([H:14])[H:15])[H:16])([H:10])[C:3]([H:11])([H:12])[C:4]([H:13])=[C:7]1[H:17],"InChI=1S/C7H10/c1-4-2-6-5(1)3-7(4)6/h4-7H,1-3H2/t4-,5-,6-,7-/m1/s1","InChI=1S/C7H10/c1-2-7-5-3-4-6-7/h2-4,7H,1,5-6H2",46.50926,-23.23977,
14878,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C:3]([H:11])([H:12])[C@:4]3([H:13])[C:5]([H:14])([H:15])[C@@:6]2([H:16])[C@:7]13[H:17],[C:1]1([H:8])([H:9])[C@:2]([C:3]([H:11])([H:12])[H:14])([H:10])[C@@:6]2([H:16])[C:5]([H:15])=[C:4]([H:13])[C@@:7]12[H:17],"InChI=1S/C7H10/c1-4-2-6-5(1)3-7(4)6/h4-7H,1-3H2/t4-,5-,6-,7-/m1/s1","InChI=1S/C7H10/c1-5-4-6-2-3-7(5)6/h2-3,5-7H,4H2,1H3/t5-,6+,7-/m1/s1",71.54099000000001,3.48785,
14879,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C:3]([H:11])([H:12])[C@:4]3([H:13])[C:5]([H:14])([H:15])[C@@:6]2([H:16])[C@:7]13[H:17],[C:1]1([H:8])([H:9])[C-:2]([H:10])[C:6]([C:5]([C:4](=[C:3]([H:11])[H:12])[H:13])([H:14])[H:15])([H:16])[C+:7]1[H:17],"InChI=1S/C7H10/c1-4-2-6-5(1)3-7(4)6/h4-7H,1-3H2/t4-,5-,6-,7-/m1/s1","InChI=1S/C7H10/c1-2-4-7-5-3-6-7/h2,5-7H,1,3-4H2",73.84804,76.63082,
14880,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C:3]([H:11])([H:12])[C@:4]3([H:13])[C:5]([H:14])([H:15])[C@@:6]2([H:16])[C@:7]13[H:17],[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C:3]([H:11])([H:12])[C@:4]3([H:13])[C:5]([H:14])([H:15])[C@:7]3([H:17])[C@@:6]12[H:16],"InChI=1S/C7H10/c1-4-2-6-5(1)3-7(4)6/h4-7H,1-3H2/t4-,5-,6-,7-/m1/s1","InChI=1S/C7H10/c1-4-2-6(4)7-3-5(1)7/h4-7H,1-3H2/t4-,5-,6+,7+/m1/s1",84.8602,-13.206270000000002,
14881,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C:3]([H:11])([H:12])[C@:4]3([H:13])[C:5]([H:14])([H:15])[C@@:6]2([H:16])[C@:7]13[H:17],[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C-:3]([H:11])[C@:4]3([H:13])[C:5]([H:14])([H:15])[C+:6]2[C@:7]13[H:17].[H:12][H:16],"InChI=1S/C7H10/c1-4-2-6-5(1)3-7(4)6/h4-7H,1-3H2/t4-,5-,6-,7-/m1/s1","InChI=1S/C7H8.H2/c1-4-2-6-5(1)3-7(4)6;/h1,4-6H,2-3H2;1H/t4-,5-,6-;/m1./s1",143.27505,106.70915,
14882,[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C:5]([H:16])([H:17])[C:6]([H:18])([H:19])[O:7]1)([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3](=[O:7])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10].[C:4](=[C:5]([C:6]([H:16])([H:18])[H:19])[H:17])([H:14])[H:15],"InChI=1S/C6H12O/c1-2-6-4-3-5-7-6/h6H,2-5H2,1H3/t6-/m0/s1","InChI=1S/C3H6O.C3H6/c1-2-3-4;1-3-2/h3H,2H2,1H3;3H,1H2,2H3",77.31669000000001,16.57228,
14883,[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C:5]([H:16])([H:17])[C:6]([H:18])([H:19])[O:7]1)([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([H:13])([H:18])[H:19])([H:16])[H:17])([H:14])[H:15])=[O:7])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-2-6-4-3-5-7-6/h6H,2-5H2,1H3/t6-/m0/s1","InChI=1S/C6H12O/c1-3-5-6(7)4-2/h3-5H2,1-2H3",83.60108000000001,-10.2781,
14884,[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C:5]([H:16])([H:17])[C:6]([H:18])([H:19])[O:7]1)([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C:5]([H:16])=[C:6]([H:18])[O:7]1)([H:11])[H:12])([H:8])([H:9])[H:10].[H:17][H:19],"InChI=1S/C6H12O/c1-2-6-4-3-5-7-6/h6H,2-5H2,1H3/t6-/m0/s1","InChI=1S/C6H10O.H2/c1-2-6-4-3-5-7-6;/h3,5-6H,2,4H2,1H3;1H/t6-;/m0./s1",96.6271,24.23294,
14885,[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C:5]([H:16])([H:17])[C:6]([H:18])([H:19])[O:7]1)([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]1([O:7][C:6]([H:13])([H:18])[H:19])[C:4]([H:14])([H:15])[C:5]1([H:16])[H:17])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-2-6-4-3-5-7-6/h6H,2-5H2,1H3/t6-/m0/s1","InChI=1S/C6H12O/c1-3-6(7-2)4-5-6/h3-5H2,1-2H3",110.99848999999999,25.09301,
14886,[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C:5]([H:16])([H:17])[C:6]([H:18])([H:19])[O:7]1)([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([C:4]([C:5]([H:16])([H:17])[H:19])([H:14])[H:15])([O+:7]=[C-:6][H:18])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-2-6-4-3-5-7-6/h6H,2-5H2,1H3/t6-/m0/s1","InChI=1S/C6H12O/c1-4-6(5-2)7-3/h3,6H,4-5H2,1-2H3",71.07536,61.133340000000004,
14887,[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C:5]([H:16])([H:17])[C:6]([H:18])([H:19])[O:7]1)([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](=[C:2]([H:11])[H:12])([H:8])[H:9].[C:3]([C:4]([C:5]([C:6]([H:10])([H:18])[H:19])([H:16])[H:17])([H:14])[H:15])(=[O:7])[H:13],"InChI=1S/C6H12O/c1-2-6-4-3-5-7-6/h6H,2-5H2,1H3/t6-/m0/s1","InChI=1S/C4H8O.C2H4/c1-2-3-4-5;1-2/h4H,2-3H2,1H3;1-2H2",80.90264,18.93168,
14888,[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C:5]([H:16])([H:17])[C:6]([H:18])([H:19])[O:7]1)([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([O:7][C:6]1([H:18])[C:4]([H:14])([H:15])[C:5]1([H:16])[H:17])([H:13])[H:19])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-2-6-4-3-5-7-6/h6H,2-5H2,1H3/t6-/m0/s1","InChI=1S/C6H12O/c1-2-5-7-6-3-4-6/h6H,2-5H2,1H3",112.67523,26.542309999999997,
14889,[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C:5]([H:16])([H:17])[C:6]([H:18])([H:19])[O:7]1)([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C:5]([H:16])([H:17])[C-:6]=[O+:7]1)([H:11])[H:12])([H:8])([H:9])[H:10].[H:18][H:19],"InChI=1S/C6H12O/c1-2-6-4-3-5-7-6/h6H,2-5H2,1H3/t6-/m0/s1","InChI=1S/C6H10O.H2/c1-2-6-4-3-5-7-6;/h6H,2-4H2,1H3;1H/t6-;/m0./s1",71.37501999999999,63.81766999999999,
14890,[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C:5]([H:16])([H:17])[C:6]([H:18])([H:19])[O:7]1)([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3](=[C:4]([H:14])[H:15])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10].[C:5]1([H:16])([H:17])[C:6]([H:18])([H:19])[O:7]1,"InChI=1S/C6H12O/c1-2-6-4-3-5-7-6/h6H,2-5H2,1H3/t6-/m0/s1","InChI=1S/C4H8.C2H4O/c1-3-4-2;1-2-3-1/h3H,1,4H2,2H3;1-2H2",91.70640999999999,43.96071,
14891,[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C:5]([H:16])([H:17])[C:6]([H:18])([H:19])[O:7]1)([H:11])[H:12])([H:8])([H:9])[H:10],[C-:3]1=[O+:7][C:6]([H:18])([H:19])[C:5]([H:16])([H:17])[C:4]1([H:14])[H:15].[C:1]([C:2]([H:11])([H:12])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-2-6-4-3-5-7-6/h6H,2-5H2,1H3/t6-/m0/s1",InChI=1S/C4H6O.C2H6/c1-2-4-5-3-1;1-2/h1-3H2;1-2H3,69.26115,56.57371,
14892,[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C:5]([H:16])([H:17])[C:6]([H:18])([H:19])[O:7]1)([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([C:4](=[C:5]([H:16])[H:17])[H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10].[C:6](=[O:7])([H:18])[H:19],"InChI=1S/C6H12O/c1-2-6-4-3-5-7-6/h6H,2-5H2,1H3/t6-/m0/s1","InChI=1S/C5H10.CH2O/c1-3-5-4-2;1-2/h3H,1,4-5H2,2H3;1H2",76.48940999999999,25.3601,
14893,[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C:5]([H:16])([H:17])[C:6]([H:18])([H:19])[O:7]1)([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C-:3]=[O+:7][C:6]([C:5]([C:4]([H:13])([H:14])[H:15])([H:16])[H:17])([H:18])[H:19])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-2-6-4-3-5-7-6/h6H,2-5H2,1H3/t6-/m0/s1","InChI=1S/C6H12O/c1-3-5-7-6-4-2/h3-5H2,1-2H3",74.40103,61.63267,
14894,[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C:5]([H:16])([H:17])[C:6]([H:18])([H:19])[O:7]1)([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([C:4]([C:5]([C:6](=[O:7])[H:19])([H:16])[H:17])([H:14])[H:15])([H:13])[H:18])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-2-6-4-3-5-7-6/h6H,2-5H2,1H3/t6-/m0/s1","InChI=1S/C6H12O/c1-2-3-4-5-6-7/h6H,2-5H2,1H3",75.73754,-3.6059300000000003,
14895,[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C:5]([H:16])([H:17])[C:6]([H:18])([H:19])[O:7]1)([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([O:7][C:6]([C:5](=[C:4]([H:14])[H:15])[H:16])([H:18])[H:19])([H:13])[H:17])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-2-6-4-3-5-7-6/h6H,2-5H2,1H3/t6-/m0/s1","InChI=1S/C6H12O/c1-3-5-7-6-4-2/h3H,1,4-6H2,2H3",84.58313000000001,18.125020000000003,
14896,[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C:5]([H:16])([H:17])[C:6]([H:18])([H:19])[O:7]1)([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:7][C:6]([C:5]([C:4]([C:3](=[C:2]([H:11])[H:12])[H:13])([H:14])[H:15])([H:16])[H:17])([H:18])[H:19])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-2-6-4-3-5-7-6/h6H,2-5H2,1H3/t6-/m0/s1","InChI=1S/C6H12O/c1-3-4-5-6-7-2/h3H,1,4-6H2,2H3",91.22532,20.81703,
14897,[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C:5]([H:16])([H:17])[C:6]([H:18])([H:19])[O:7]1)([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]1=[C:4]([H:15])[C:5]([H:16])([H:17])[C:6]([H:18])([H:19])[O:7]1)([H:11])[H:12])([H:8])([H:9])[H:10].[H:13][H:14],"InChI=1S/C6H12O/c1-2-6-4-3-5-7-6/h6H,2-5H2,1H3/t6-/m0/s1","InChI=1S/C6H10O.H2/c1-2-6-4-3-5-7-6;/h4H,2-3,5H2,1H3;1H",94.46398,23.00004,
14898,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[O:7]1)([H:9])[H:10])[H:8],[O:1]([C:2]([C:3]([O:7][C:6]1([H:17])[C:4]([H:12])([H:13])[C:5]1([H:14])[H:15])([H:11])[H:16])([H:9])[H:10])[H:8],"InChI=1S/C5H10O2/c6-4-5-2-1-3-7-5/h5-6H,1-4H2/t5-/m1/s1","InChI=1S/C5H10O2/c6-3-4-7-5-1-2-5/h5-6H,1-4H2",112.33358999999999,26.99857,
14899,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[O:7]1)([H:9])[H:10])[H:8],[O:1]=[C:2]([C:3]([C:4]([C:5]([C:6]([O:7][H:8])([H:16])[H:17])([H:14])[H:15])([H:12])[H:13])([H:10])[H:11])[H:9],"InChI=1S/C5H10O2/c6-4-5-2-1-3-7-5/h5-6H,1-4H2/t5-/m1/s1","InChI=1S/C5H10O2/c6-4-2-1-3-5-7/h4,7H,1-3,5H2",54.56981999999999,-2.96725,
14900,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[O:7]1)([H:9])[H:10])[H:8],[O:1]([C:2]([C-:3]=[O+:7][C:6]([C:5]([C:4]([H:11])([H:12])[H:13])([H:14])[H:15])([H:16])[H:17])([H:9])[H:10])[H:8],"InChI=1S/C5H10O2/c6-4-5-2-1-3-7-5/h5-6H,1-4H2/t5-/m1/s1","InChI=1S/C5H10O2/c1-2-4-7-5-3-6/h6H,2-4H2,1H3",75.42727,60.83185,
14901,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[O:7]1)([H:9])[H:10])[H:8],[C:3]1([H:11])([H:17])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])[O:7]1.[O:1]([C:2]([H:9])[H:10])[H:8],"InChI=1S/C5H10O2/c6-4-5-2-1-3-7-5/h5-6H,1-4H2/t5-/m1/s1","InChI=1S/C4H7O.CH3O/c1-2-4-5-3-1;1-2/h3H,1-2,4H2;2H,1H2",119.45805,84.73416,
14902,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[O:7]1)([H:9])[H:10])[H:8],[C:5](=[C:6]([H:16])[H:17])([H:14])[H:15].[O:1]([C:2]([C:3]([C:4]([H:11])([H:12])[H:13])=[O:7])([H:9])[H:10])[H:8],"InChI=1S/C5H10O2/c6-4-5-2-1-3-7-5/h5-6H,1-4H2/t5-/m1/s1","InChI=1S/C3H6O2.C2H4/c1-3(5)2-4;1-2/h4H,2H2,1H3;1-2H2",70.49658000000001,11.816360000000001,
14903,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[O:7]1)([H:9])[H:10])[H:8],[C-:3]1=[O+:7][C:6]([H:16])([H:17])[C:5]([H:14])([H:15])[C:4]1([H:12])[H:13].[O:1]([C:2]([H:9])([H:10])[H:11])[H:8],"InChI=1S/C5H10O2/c6-4-5-2-1-3-7-5/h5-6H,1-4H2/t5-/m1/s1","InChI=1S/C4H6O.CH4O/c1-2-4-5-3-1;1-2/h1-3H2;2H,1H3",67.91722,62.28676,
14904,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[O:7]1)([H:9])[H:10])[H:8],[H:8][H:10].[O:1]=[C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[O:7]1)[H:9],"InChI=1S/C5H10O2/c6-4-5-2-1-3-7-5/h5-6H,1-4H2/t5-/m1/s1","InChI=1S/C5H8O2.H2/c6-4-5-2-1-3-7-5;/h4-5H,1-3H2;1H/t5-;/m1./s1",84.26795,21.49665,
14905,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[O:7]1)([H:9])[H:10])[H:8],[O:1]([C@@:3]1([H:11])[C:2]([H:9])([H:10])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[O:7]1)[H:8],"InChI=1S/C5H10O2/c6-4-5-2-1-3-7-5/h5-6H,1-4H2/t5-/m1/s1","InChI=1S/C5H10O2/c6-5-3-1-2-4-7-5/h5-6H,1-4H2/t5-/m1/s1",82.64471999999999,-2.91818,
14906,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[O:7]1)([H:9])[H:10])[H:8],[O:1]([C:2]([C@@:3]([C:4]([C:5]([H:14])([H:15])[H:17])([H:12])[H:13])([O+:7]=[C-:6][H:16])[H:11])([H:9])[H:10])[H:8],"InChI=1S/C5H10O2/c6-4-5-2-1-3-7-5/h5-6H,1-4H2/t5-/m1/s1","InChI=1S/C5H10O2/c1-3-5(4-6)7-2/h2,5-6H,3-4H2,1H3/t5-/m1/s1",75.94726999999999,64.09644,
14907,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[O:7]1)([H:9])[H:10])[H:8],[C:2](=[C:3]1[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[O:7]1)([H:9])[H:10].[O:1]([H:8])[H:11],"InChI=1S/C5H10O2/c6-4-5-2-1-3-7-5/h5-6H,1-4H2/t5-/m1/s1",InChI=1S/C5H8O.H2O/c1-5-3-2-4-6-5;/h1-4H2;1H2,66.47619,5.49521,"1,3_Insertion_ROR"
14908,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[O:7]1)([H:9])[H:10])[H:8],[C:5](=[C:6]([H:16])[H:17])([H:14])[H:15].[O:1]([C:2]([C:4]([C:3](=[O:7])[H:11])([H:12])[H:13])([H:9])[H:10])[H:8],"InChI=1S/C5H10O2/c6-4-5-2-1-3-7-5/h5-6H,1-4H2/t5-/m1/s1","InChI=1S/C3H6O2.C2H4/c4-2-1-3-5;1-2/h2,5H,1,3H2;1-2H2",75.79111,18.571579999999997,
14909,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[O:7]1)([H:9])[H:10])[H:8],[O:1]1[C:2]([H:9])([H:10])[C@@:3]([O:7][H:8])([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]1([H:16])[H:17],"InChI=1S/C5H10O2/c6-4-5-2-1-3-7-5/h5-6H,1-4H2/t5-/m1/s1","InChI=1S/C5H10O2/c6-5-2-1-3-7-4-5/h5-6H,1-4H2/t5-/m1/s1",63.952569999999994,3.2960599999999998,
14910,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[O:7]1)([H:9])[H:10])[H:8],[O:1]([C:2](/[C:4](=[C:3](/[O:7][C:6]([C:5]([H:13])([H:14])[H:15])([H:16])[H:17])[H:11])[H:12])([H:9])[H:10])[H:8],"InChI=1S/C5H10O2/c6-4-5-2-1-3-7-5/h5-6H,1-4H2/t5-/m1/s1","InChI=1S/C5H10O2/c1-2-7-5-3-4-6/h3,5-6H,2,4H2,1H3/b5-3+",91.07836999999999,11.812560000000001,
14911,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[O:7]1)([H:9])[H:10])[H:8],[C:4](=[C:5]([C:6]([H:14])([H:16])[H:17])[H:15])([H:12])[H:13].[O:1]([C:2]([C:3](=[O:7])[H:11])([H:9])[H:10])[H:8],"InChI=1S/C5H10O2/c6-4-5-2-1-3-7-5/h5-6H,1-4H2/t5-/m1/s1","InChI=1S/C3H6.C2H4O2/c1-3-2;3-1-2-4/h3H,1H2,2H3;1,4H,2H2",76.95666,20.86555,
14912,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[O:7]1)([H:9])[H:10])[H:8],[O:1]([C:2]([C:3]1([O:7][C:6]([H:11])([H:16])[H:17])[C:4]([H:12])([H:13])[C:5]1([H:14])[H:15])([H:9])[H:10])[H:8],"InChI=1S/C5H10O2/c6-4-5-2-1-3-7-5/h5-6H,1-4H2/t5-/m1/s1","InChI=1S/C5H10O2/c1-7-5(4-6)2-3-5/h6H,2-4H2,1H3",113.02606999999999,25.55238,
14913,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[O:7]1)([H:9])[H:10])[H:8],[C:6](=[O:7])([H:16])[H:17].[O:1]([C:2]([C:3]([C:4](=[C:5]([H:14])[H:15])[H:12])([H:11])[H:13])([H:9])[H:10])[H:8],"InChI=1S/C5H10O2/c6-4-5-2-1-3-7-5/h5-6H,1-4H2/t5-/m1/s1","InChI=1S/C4H8O.CH2O/c1-2-3-4-5;1-2/h2,5H,1,3-4H2;1H2",71.90805999999999,25.53481,
14914,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[O:7]1)([H:9])[H:10])[H:8],[H:11][H:13].[O:1]([C:2]([C:3]1=[C:4]([H:12])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[O:7]1)([H:9])[H:10])[H:8],"InChI=1S/C5H10O2/c6-4-5-2-1-3-7-5/h5-6H,1-4H2/t5-/m1/s1","InChI=1S/C5H8O2.H2/c6-4-5-2-1-3-7-5;/h2,6H,1,3-4H2;1H",100.4284,25.84131,
14915,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[O:7]1)([H:9])[H:10])[H:8],[H:14][H:17].[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:15])=[C:6]([H:16])[O:7]1)([H:9])[H:10])[H:8],"InChI=1S/C5H10O2/c6-4-5-2-1-3-7-5/h5-6H,1-4H2/t5-/m1/s1","InChI=1S/C5H8O2.H2/c6-4-5-2-1-3-7-5;/h1,3,5-6H,2,4H2;1H/t5-;/m1./s1",97.92179,24.71685,
14916,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[O:7]1)([H:9])[H:10])[H:8],[O:1]([C:2]([C:3]([C:4]([C:5]([H:11])([H:14])[H:15])([H:12])[H:13])=[O+:7][C-:6]([H:16])[H:17])([H:9])[H:10])[H:8],"InChI=1S/C5H10O2/c6-4-5-2-1-3-7-5/h5-6H,1-4H2/t5-/m1/s1","InChI=1S/C5H10O2/c1-3-5(4-6)7-2/h6H,2-4H2,1H3",104.74776999999999,54.919369999999994,
14917,[N:1]([c:2]1[n:3][c:4]([H:10])[n:5][n:6][n:7]1)([H:8])[H:9],[N:1](=[c:2]1[n:3][c:4]([H:10])[n:5]([H:9])[n:6][n:7]1)[H:8],"InChI=1S/C2H3N5/c3-2-4-1-5-7-6-2/h1H,(H2,3,4,5,6)","InChI=1S/C2H3N5/c3-2-4-1-5-7-6-2/h1H,(H2,3,4,5,6)",81.27332,14.938310000000001,
14918,[N:1]([c:2]1[n:3][c:4]([H:10])[n:5][n:6][n:7]1)([H:8])[H:9],[N:1](=[C:2]([N:3]=[C:4]([H:8])[H:10])[N:7]=[N+:6]=[N-:5])[H:9],"InChI=1S/C2H3N5/c3-2-4-1-5-7-6-2/h1H,(H2,3,4,5,6)","InChI=1S/C2H3N5/c1-5-2(3)6-7-4/h3H,1H2",92.20246,23.1518,
14919,[N:1]([c:2]1[n:3][c:4]([H:10])[n:5][n:6][n:7]1)([H:8])[H:9],[N:1](=[c:2]1[n:3][c:4]([H:10])[n:5][n:6][n:7]1[H:9])[H:8],"InChI=1S/C2H3N5/c3-2-4-1-5-7-6-2/h1H,(H2,3,4,5,6)","InChI=1S/C2H3N5/c3-2-4-1-5-7-6-2/h1H,(H2,3,4,5,6)",42.680170000000004,10.77224,
14920,[N:1]([c:2]1[n:3][c:4]([H:10])[n:5][n:6][n:7]1)([H:8])[H:9],[N:1]([C:2]#[N+:3][C:4](=[N:5][N:6]=[N-:7])[H:10])([H:8])[H:9],"InChI=1S/C2H3N5/c3-2-4-1-5-7-6-2/h1H,(H2,3,4,5,6)",InChI=1S/C2H2N5/c3-1-5-2-6-7-4/h2-3H/q-1/p+1,43.4309,36.51566,
14921,[N:1]([c:2]1[n:3][c:4]([H:10])[n:5][n:6][n:7]1)([H:8])[H:9],[N:1]([C:2]1=[N:3][C@:4]1([N:5]=[N+:6]=[N-:7])[H:10])([H:8])[H:9],"InChI=1S/C2H3N5/c3-2-4-1-5-7-6-2/h1H,(H2,3,4,5,6)","InChI=1S/C2H3N5/c3-1-2(5-1)6-7-4/h2H,(H2,3,5)/t2-/m0/s1",69.77360999999999,41.20949,
14922,[N:1]([c:2]1[n:3][c:4]([H:10])[n:5][n:6][n:7]1)([H:8])[H:9],[N:1](=[c:2]1/[n:3]([H:9])[c:4]([H:10])[n:5][n:6][n:7]1)\[H:8],"InChI=1S/C2H3N5/c3-2-4-1-5-7-6-2/h1H,(H2,3,4,5,6)","InChI=1S/C2H3N5/c3-2-4-1-5-7-6-2/h1H,(H2,3,4,5,6)",47.31759,16.17269,
14923,[N:1]([c:2]1[n:3][c:4]([H:10])[n:5][n:6][n:7]1)([H:8])[H:9],[N:1]([C@@:2]1([N:7]=[N+:6]=[N-:5])[N:3]=[C:4]1[H:10])([H:8])[H:9],"InChI=1S/C2H3N5/c3-2-4-1-5-7-6-2/h1H,(H2,3,4,5,6)","InChI=1S/C2H3N5/c3-2(1-5-2)6-7-4/h1H,3H2/t2-/m1/s1",74.8514,53.40269,
14924,[N:1]([c:2]1[n:3][c:4]([H:10])[n:5][n:6][n:7]1)([H:8])[H:9],[C:4](#[N:5])[H:10].[N:1]([C:2]#[N:3])([H:8])[H:9].[N:6]#[N:7],"InChI=1S/C2H3N5/c3-2-4-1-5-7-6-2/h1H,(H2,3,4,5,6)",InChI=1S/CH2N2.CHN.N2/c2-1-3;2*1-2/h2H2;1H;,31.31312,-21.22681,
14925,[N:1]([c:2]1[n:3][c:4]([H:10])[n:5][n:6][n:7]1)([H:8])[H:9],[N:1]([C:2]1=[N:7][N-:6][N+:5]([H:10])=[C:4]=[N:3]1)([H:8])[H:9],"InChI=1S/C2H3N5/c3-2-4-1-5-7-6-2/h1H,(H2,3,4,5,6)","InChI=1S/C2H3N5/c3-2-4-1-5-7-6-2/h5H,(H2,3,6)",76.51049,32.708459999999995,
14926,[N:1]([c:2]1[n:3][c:4]([H:10])[n:5][n:6][n:7]1)([H:8])[H:9],[N:1]([C:2]([N+:3]#[C:4][H:10])=[N:7][N:6]=[N-:5])([H:8])[H:9],"InChI=1S/C2H3N5/c3-2-4-1-5-7-6-2/h1H,(H2,3,4,5,6)","InChI=1S/C2H3N5/c1-5-2(3)6-7-4/h1H,(H2-,3,4,6)",59.11776999999999,53.377269999999996,
14927,[N:1]([c:2]1[n:3][c:4]([H:10])[n:5][n:6][n:7]1)([H:8])[H:9],[N:1](=[C:2]1[N:3]=[C:4]([H:10])[N:5][N:6]([H:9])[N:7]1)[H:8],"InChI=1S/C2H3N5/c3-2-4-1-5-7-6-2/h1H,(H2,3,4,5,6)","InChI=1S/C2H3N5/c3-2-4-1-5-7-6-2/h1,3,7H",107.05361,17.25471,
14928,[N:1]([c:2]1[n:3][c:4]([H:10])[n:5][n:6][n:7]1)([H:8])[H:9],[N:1]([C:2]1=[N:7][N-:6][N:5]=[C:4]=[N+:3]1[H:10])([H:8])[H:9],"InChI=1S/C2H3N5/c3-2-4-1-5-7-6-2/h1H,(H2,3,4,5,6)","InChI=1S/C2H2N5/c3-2-4-1-5-7-6-2/h(H2,3,6)/q-1/p+1",86.86015,46.536609999999996,
14929,[N:1]([c:2]1[n:3][c:4]([H:10])[n:5][n:6][n:7]1)([H:8])[H:9],[N:1]([C:2]1=[N:7][N+:6](=[N-:5])[C:4]([H:10])=[N:3]1)([H:8])[H:9],"InChI=1S/C2H3N5/c3-2-4-1-5-7-6-2/h1H,(H2,3,4,5,6)","InChI=1S/C2H3N5/c3-2-5-1-7(4)6-2/h1H,(H2,3,6)",80.08248,35.6284,
14930,[N:1]([c:2]1[n:3][c:4]([H:10])[n:5][n:6][n:7]1)([H:8])[H:9],[N:1](/[N:6]=[N:5]\[C:4](=[N:3]/[C:2]#[N:7])[H:10])([H:8])[H:9],"InChI=1S/C2H3N5/c3-2-4-1-5-7-6-2/h1H,(H2,3,4,5,6)","InChI=1S/C2H3N5/c3-1-5-2-6-7-4/h2H,(H2,4,5,6)",66.24409,28.90498,
14931,[N:1]([c:2]1[n:3][c:4]([H:10])[n:5][n:6][n:7]1)([H:8])[H:9],[N:1]([c:2]1[n:3]2[c:4]([H:10])[n:5][n:6]2[n:7]1)([H:8])[H:9],"InChI=1S/C2H3N5/c3-2-4-1-5-7-6-2/h1H,(H2,3,4,5,6)","InChI=1S/C2H3N5/c3-2-5-7-4-1-6(2)7/h1H,(H2,3,5)",85.48942,77.63838,
14932,[N:1]([c:2]1[n:3][c:4]([H:10])[n:5][n:6][n:7]1)([H:8])[H:9],[N:1]([C:2]1=[N:3][C:4]([H:10])=[N:5][N+:6]1=[N-:7])([H:8])[H:9],"InChI=1S/C2H3N5/c3-2-4-1-5-7-6-2/h1H,(H2,3,4,5,6)","InChI=1S/C2H3N5/c3-2-5-1-6-7(2)4/h1H,(H2,3,5,6)",81.98395,31.027929999999998,
14933,[C:1]([c:2]1[c:3]([N:4]([H:11])[H:12])[c:5]([H:13])[c:6]([H:14])[o:7]1)([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([N:4]([H:11])[H:12])=[C:5]=[C:6]([H:13])[H:14])=[O:7])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-5(6)2-3-7-4/h2-3H,6H2,1H3","InChI=1S/C5H7NO/c1-3-5(6)4(2)7/h1,6H2,2H3",65.26301,22.291,
14934,[C:1]([c:2]1[c:3]([N:4]([H:11])[H:12])[c:5]([H:13])[c:6]([H:14])[o:7]1)([H:8])([H:9])[H:10],[C:1]([C@@:6]1([H:14])[C:5]([H:13])=[C:3]([N:4]([H:11])[H:12])[C-:2]=[O+:7]1)([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-5(6)2-3-7-4/h2-3H,6H2,1H3","InChI=1S/C5H7NO/c1-4-2-5(6)3-7-4/h2,4H,6H2,1H3/t4-/m0/s1",133.10738999999998,48.77978,
14935,[C:1]([c:2]1[c:3]([N:4]([H:11])[H:12])[c:5]([H:13])[c:6]([H:14])[o:7]1)([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:13])[C:3]([N:4]([H:11])[H:12])=[C:5]=[C:6]([H:14])[O:7]1)([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-5(6)2-3-7-4/h2-3H,6H2,1H3","InChI=1S/C5H7NO/c1-4-5(6)2-3-7-4/h3-4H,6H2,1H3/t4-/m0/s1",82.9636,45.596990000000005,
14936,[C:1]([c:2]1[c:3]([N:4]([H:11])[H:12])[c:5]([H:13])[c:6]([H:14])[o:7]1)([H:8])([H:9])[H:10],[C:1](=[C:2]1[C@@:3]([N:4]([H:11])[H:12])([H:10])[C:5]([H:13])=[C:6]([H:14])[O:7]1)([H:8])[H:9],"InChI=1S/C5H7NO/c1-4-5(6)2-3-7-4/h2-3H,6H2,1H3","InChI=1S/C5H7NO/c1-4-5(6)2-3-7-4/h2-3,5H,1,6H2/t5-/m1/s1",74.22872,23.50487,
14937,[C:1]([c:2]1[c:3]([N:4]([H:11])[H:12])[c:5]([H:13])[c:6]([H:14])[o:7]1)([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:3]([N-:4][H:11])[C:5]([H:12])([H:13])[C:6]([H:14])=[O+:7]1)([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-5(6)2-3-7-4/h2-3H,6H2,1H3","InChI=1S/C5H7NO/c1-4-5(6)2-3-7-4/h3,6H,2H2,1H3",74.21038,42.65325,
14938,[C:1]([c:2]1[c:3]([N:4]([H:11])[H:12])[c:5]([H:13])[c:6]([H:14])[o:7]1)([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:12])/[C:3](=[N:4]/[H:11])[C:5]([H:13])=[C:6]([H:14])[O:7]1)([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-5(6)2-3-7-4/h2-3H,6H2,1H3","InChI=1S/C5H7NO/c1-4-5(6)2-3-7-4/h2-4,6H,1H3/b6-5+/t4-/m0/s1",67.04333000000001,4.05512,
14939,[C:1]([c:2]1[c:3]([N:4]([H:11])[H:12])[c:5]([H:13])[c:6]([H:14])[o:7]1)([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:3]([C:5](=[C:6]([O-:7])[H:14])[H:13])[N+:4]1([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-5(6)2-3-7-4/h2-3H,6H2,1H3","InChI=1S/C5H7NO/c1-4-5(6-4)2-3-7/h2-3,6-7H,1H3",65.91462,64.12405,
14940,[C:1]([c:2]1[c:3]([N:4]([H:11])[H:12])[c:5]([H:13])[c:6]([H:14])[o:7]1)([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:3]([N:4]([H:11])[H:12])[C:5]([H:13])([H:14])[C-:6]=[O+:7]1)([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-5(6)2-3-7-4/h2-3H,6H2,1H3","InChI=1S/C5H7NO/c1-4-5(6)2-3-7-4/h2,6H2,1H3",64.29483,55.27875,Singlet_Carbene_Intra_Disproportionation
14941,[C:1]([c:2]1[c:3]([N:4]([H:11])[H:12])[c:5]([H:13])[c:6]([H:14])[o:7]1)([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:3](\[N:4]([H:11])[H:12])[C:5](=[C:6])[H:13])[O:7][H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-5(6)2-3-7-4/h2-3H,6H2,1H3","InChI=1S/C5H7NO/c1-3-5(6)4(2)7/h3,7H,6H2,2H3/b5-4+",82.50711,81.28706,
14942,[C:1]([c:2]1[c:3]([N:4]([H:11])[H:12])[c:5]([H:13])[c:6]([H:14])[o:7]1)([H:8])([H:9])[H:10],[C:1](=[C:2]1[C:3]([N:4]([H:11])[H:12])=[C:5]([H:13])[C:6]([H:10])([H:14])[O:7]1)([H:8])[H:9],"InChI=1S/C5H7NO/c1-4-5(6)2-3-7-4/h2-3H,6H2,1H3","InChI=1S/C5H7NO/c1-4-5(6)2-3-7-4/h2H,1,3,6H2",74.78473000000001,9.93715,Intra_ene_reaction
14943,[C:1]([c:2]1[c:3]([N:4]([H:11])[H:12])[c:5]([H:13])[c:6]([H:14])[o:7]1)([H:8])([H:9])[H:10],[C:1](=[C:2](/[C:3]([N:4]([H:11])[H:12])=[C:5](\[C:6](=[O:7])[H:14])[H:13])[H:10])([H:8])[H:9],"InChI=1S/C5H7NO/c1-4-5(6)2-3-7-4/h2-3H,6H2,1H3","InChI=1S/C5H7NO/c1-2-5(6)3-4-7/h2-4H,1,6H2/b5-3+",72.73435,5.158869999999999,
14944,[C:1]([c:2]1[c:3]([N:4]([H:11])[H:12])[c:5]([H:13])[c:6]([H:14])[o:7]1)([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:12].[C:2]1=[C:3]([N-:4][H:11])[C:5]([H:13])=[C:6]([H:14])[O+:7]=1,"InChI=1S/C5H7NO/c1-4-5(6)2-3-7-4/h2-3H,6H2,1H3","InChI=1S/C4H3NO.CH4/c5-4-1-2-6-3-4;/h1-2,5H;1H4",105.58113,75.79613,
14945,[C:1]([c:2]1[c:3]([N:4]([H:11])[H:12])[c:5]([H:13])[c:6]([H:14])[o:7]1)([H:8])([H:9])[H:10],[C:1](=[C:2]=[C:3]([N:4]([H:11])[H:12])/[C:5](=[C:6](\[O:7][H:10])[H:14])[H:13])([H:8])[H:9],"InChI=1S/C5H7NO/c1-4-5(6)2-3-7-4/h2-3H,6H2,1H3","InChI=1S/C5H7NO/c1-2-5(6)3-4-7/h3-4,7H,1,6H2/b4-3-",65.60922,27.578909999999997,
14946,[C:1]([c:2]1[c:3]([N:4]([H:11])[H:12])[c:5]([H:13])[c:6]([H:14])[o:7]1)([H:8])([H:9])[H:10],[C:1]([C@:3]1([N:4]([H:11])[H:12])[C-:2]=[O+:7][C:6]([H:14])=[C:5]1[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-5(6)2-3-7-4/h2-3H,6H2,1H3","InChI=1S/C5H7NO/c1-5(6)2-3-7-4-5/h2-3H,6H2,1H3/t5-/m1/s1",75.45561,65.41328,
14947,[C:1]([c:2]1[c:3]([N:4]([H:11])[H:12])[c:5]([H:13])[c:6]([H:14])[o:7]1)([H:8])([H:9])[H:10],[C:1]([C-:2]1[C:3]([N+:4]([H:11])([H:12])[H:13])=[C:5]=[C:6]([H:14])[O:7]1)([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-5(6)2-3-7-4/h2-3H,6H2,1H3","InChI=1S/C5H6NO/c1-4-5(6)2-3-7-4/h3H,6H2,1H3/q-1/p+1",76.19738000000001,75.83325,
14948,[C:1]([c:2]1[c:3]([N:4]([H:11])[H:12])[c:5]([H:13])[c:6]([H:14])[o:7]1)([H:8])([H:9])[H:10],[C:1](=[C:2]1/[C:3](=[N:4]\[H:12])[C:5]([H:13])=[C:6]([H:14])[O:7]1)([H:8])[H:9].[H:10][H:11],"InChI=1S/C5H7NO/c1-4-5(6)2-3-7-4/h2-3H,6H2,1H3","InChI=1S/C5H5NO.H2/c1-4-5(6)2-3-7-4;/h2-3,6H,1H2;1H/b6-5-;",57.32869,31.896040000000003,
14949,[C:1]([c:2]1[c:3]([N:4]([H:11])[H:12])[c:5]([H:13])[c:6]([H:14])[o:7]1)([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:3]([N:4]([H:11])[H:12])[C@@:5]1([C:6](=[O:7])[H:14])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-5(6)2-3-7-4/h2-3H,6H2,1H3","InChI=1S/C5H7NO/c1-3-4(2-7)5(3)6/h2,4H,6H2,1H3/t4-/m1/s1",66.35936,38.75625,ketoenol
14950,[C:1]([c:2]1[c:3]([N:4]([H:11])[H:12])[c:5]([H:13])[c:6]([H:14])[o:7]1)([H:8])([H:9])[H:10],[C:1]([C@@:5]1([H:13])[C:3]([N:4]([H:11])[H:12])=[C:2]=[O+:7][C-:6]1[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-5(6)2-3-7-4/h2-3H,6H2,1H3","InChI=1S/C5H7NO/c1-4-2-7-3-5(4)6/h2,4H,6H2,1H3/t4-/m1/s1",102.76928000000001,78.92584000000001,
14951,[C:1]([c:2]1[c:3]([N:4]([H:11])[H:12])[c:5]([H:13])[c:6]([H:14])[o:7]1)([H:8])([H:9])[H:10],[C-:1]([C:2]1=[C:3]([N:4]([H:11])[H:12])[C:5]([H:13])=[C:6]=[O+:7]1)([H:8])[H:10].[H:9][H:14],"InChI=1S/C5H7NO/c1-4-5(6)2-3-7-4/h2-3H,6H2,1H3","InChI=1S/C5H5NO.H2/c1-4-5(6)2-3-7-4;/h2H,1,6H2;1H",111.94693999999998,73.01321,
14952,[C:1]([c:2]1[c:3]([N:4]([H:11])[H:12])[c:5]([H:13])[c:6]([H:14])[o:7]1)([H:8])([H:9])[H:10],[C:1]([C@@:2]12[C@@:3]3([N:4]([H:11])[H:12])[C@:5]1([H:13])[C@@:6]3([H:14])[O:7]2)([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-5(6)2-3-7-4/h2-3H,6H2,1H3","InChI=1S/C5H7NO/c1-4-2-3(7-4)5(2,4)6/h2-3H,6H2,1H3/t2-,3-,4+,5-/m1/s1",108.52513,86.73455,
14953,[C:1]([C:2]1=[C:3]([H:11])[C:4]([H:12])([H:13])[C@@:5]2([H:14])[O:6][C@@:7]12[H:15])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:3]([H:11])[C:4]([H:12])([H:13])[C@:5]1([O+:6]=[C-:7][H:15])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-4-2-3-5-6(4)7-5/h2,5-6H,3H2,1H3/t5-,6+/m1/s1","InChI=1S/C6H8O/c1-5-3-4-6(5)7-2/h2-3,6H,4H2,1H3/t6-/m1/s1",98.78917,68.59671,
14954,[C:1]([C:2]1=[C:3]([H:11])[C:4]([H:12])([H:13])[C@@:5]2([H:14])[O:6][C@@:7]12[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]12[C@@:3]3([H:11])[C:4]([H:12])([H:13])[C@@:5]([H:14])([O:6]1)[C@@:7]23[H:15])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-4-2-3-5-6(4)7-5/h2,5-6H,3H2,1H3/t5-,6+/m1/s1","InChI=1S/C6H8O/c1-6-3-2-4(7-6)5(3)6/h3-5H,2H2,1H3/t3-,4+,5-,6-/m0/s1",78.14508000000001,36.50742,
14955,[C:1]([C:2]1=[C:3]([H:11])[C:4]([H:12])([H:13])[C@@:5]2([H:14])[O:6][C@@:7]12[H:15])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:3]([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[O+:6]=[C-:7]1)([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-4-2-3-5-6(4)7-5/h2,5-6H,3H2,1H3/t5-,6+/m1/s1","InChI=1S/C6H8O/c1-6-3-2-4-7-5-6/h3H,2,4H2,1H3",67.71491999999999,32.33863,
14956,[C:1]([C:2]1=[C:3]([H:11])[C:4]([H:12])([H:13])[C@@:5]2([H:14])[O:6][C@@:7]12[H:15])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:7]2[C@@:5]([H:14])([C:4]([H:12])([H:13])[C:3]1([H:11])[H:15])[O:6]2)([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-4-2-3-5-6(4)7-5/h2,5-6H,3H2,1H3/t5-,6+/m1/s1","InChI=1S/C6H8O/c1-4-2-3-5-6(4)7-5/h5H,2-3H2,1H3/t5-/m1/s1",95.75741,44.51378,
14957,[C:1]([C:2]1=[C:3]([H:11])[C:4]([H:12])([H:13])[C@@:5]2([H:14])[O:6][C@@:7]12[H:15])([H:8])([H:9])[H:10],[C:1](=[C:2]=[C:3]([C:4]([C@@:5]1([H:14])[O:6][C:7]1([H:9])[H:15])([H:12])[H:13])[H:11])([H:8])[H:10],"InChI=1S/C6H8O/c1-4-2-3-5-6(4)7-5/h2,5-6H,3H2,1H3/t5-,6+/m1/s1","InChI=1S/C6H8O/c1-2-3-4-6-5-7-6/h3,6H,1,4-5H2/t6-/m1/s1",102.31858000000001,26.803,
14958,[C:1]([C:2]1=[C:3]([H:11])[C:4]([H:12])([H:13])[C@@:5]2([H:14])[O:6][C@@:7]12[H:15])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:7]([H:15])[C@@:5]2([H:14])[C:4]([H:12])([H:13])[C@:3]1([H:11])[O:6]2)([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-4-2-3-5-6(4)7-5/h2,5-6H,3H2,1H3/t5-,6+/m1/s1","InChI=1S/C6H8O/c1-4-2-5-3-6(4)7-5/h2,5-6H,3H2,1H3/t5-,6-/m0/s1",51.05145,24.22516,
14959,[C:1]([C:2]1=[C:3]([H:11])[C:4]([H:12])([H:13])[C@@:5]2([H:14])[O:6][C@@:7]12[H:15])([H:8])([H:9])[H:10],[C:1](=[C:2]1[C-:3]([H:11])[C:4]([H:12])([H:13])[C+:5]([H:14])[C@:7]1([O:6][H:9])[H:15])([H:8])[H:10],"InChI=1S/C6H8O/c1-4-2-3-5-6(4)7-5/h2,5-6H,3H2,1H3/t5-,6+/m1/s1","InChI=1S/C6H8O/c1-5-3-2-4-6(5)7/h3-4,6-7H,1-2H2/t6-/m1/s1",70.66098000000001,38.56605,
14960,[C:1]([C:2]1=[C:3]([H:11])[C:4]([H:12])([H:13])[C@@:5]2([H:14])[O:6][C@@:7]12[H:15])([H:8])([H:9])[H:10],[C:1]([C:2]#[C:3][H:11])([H:8])([H:9])[H:10].[C:4](=[C:5]([C:7](=[O:6])[H:15])[H:14])([H:12])[H:13],"InChI=1S/C6H8O/c1-4-2-3-5-6(4)7-5/h2,5-6H,3H2,1H3/t5-,6+/m1/s1","InChI=1S/C3H4O.C3H4/c1-2-3-4;1-3-2/h2-3H,1H2;1H,2H3",75.18686,28.543059999999997,
14961,[C:1]([C:2]1=[C:3]([H:11])[C:4]([H:12])([H:13])[C@@:5]2([H:14])[O:6][C@@:7]12[H:15])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C-:3][C:4]([H:12])([H:13])[C@@:5]2([H:14])[O+:6]=[C:7]12)([H:8])([H:9])[H:10].[H:11][H:15],"InChI=1S/C6H8O/c1-4-2-3-5-6(4)7-5/h2,5-6H,3H2,1H3/t5-,6+/m1/s1","InChI=1S/C6H6O.H2/c1-4-2-3-5-6(4)7-5;/h5H,3H2,1H3;1H/t5-;/m1./s1",155.18704,97.52903,
14962,[C:1]([C:2]1=[C:3]([H:11])[C:4]([H:12])([H:13])[C@@:5]2([H:14])[O:6][C@@:7]12[H:15])([H:8])([H:9])[H:10],[C:1](=[C:2]1[C:3]([H:9])([H:11])[C:4]([H:12])([H:13])[C@@:5]2([H:14])[O:6][C@@:7]12[H:15])([H:8])[H:10],"InChI=1S/C6H8O/c1-4-2-3-5-6(4)7-5/h2,5-6H,3H2,1H3/t5-,6+/m1/s1","InChI=1S/C6H8O/c1-4-2-3-5-6(4)7-5/h5-6H,1-3H2/t5-,6+/m1/s1",73.80711,-0.44264,
14963,[C:1]([C:2]1=[C:3]([H:11])[C:4]([H:12])([H:13])[C@@:5]2([H:14])[O:6][C@@:7]12[H:15])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C-:7][C@@:5]([O:6][H:15])([H:14])[C:4]([H:12])([H:13])[C+:3]1[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-4-2-3-5-6(4)7-5/h2,5-6H,3H2,1H3/t5-,6+/m1/s1","InChI=1S/C6H8O/c1-5-2-3-6(7)4-5/h2,6-7H,3H2,1H3/t6-/m1/s1",59.24958,48.60974,
14964,[C:1]([C:2]1=[C:3]([H:11])[C:4]([H:12])([H:13])[C@@:5]2([H:14])[O:6][C@@:7]12[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:15])[C-:3]([H:11])[C:4]([H:12])([H:13])[C@@:5]2([H:14])[O+:6]=[C:7]12)([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-4-2-3-5-6(4)7-5/h2,5-6H,3H2,1H3/t5-,6+/m1/s1","InChI=1S/C6H8O/c1-4-2-3-5-6(4)7-5/h2,4-5H,3H2,1H3/t4-,5+/m0/s1",95.75092,67.81273,
14965,[C:1]([C:2]1=[C:3]([H:11])[C:4]([H:12])([H:13])[C@@:5]2([H:14])[O:6][C@@:7]12[H:15])([H:8])([H:9])[H:10],[C:1](/[C:2]([C:3](=[C:4]([H:12])[H:13])[H:11])=[C:7](/[C:5](=[O:6])[H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-4-2-3-5-6(4)7-5/h2,5-6H,3H2,1H3/t5-,6+/m1/s1","InChI=1S/C6H8O/c1-3-6(2)4-5-7/h3-5H,1H2,2H3/b6-4-",30.40295,-12.480789999999999,
14966,[C:1]([C:2]1=[C:3]([H:11])[C:4]([H:12])([H:13])[C@@:5]2([H:14])[O:6][C@@:7]12[H:15])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:3]([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[C:7]1=[O:6])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-4-2-3-5-6(4)7-5/h2,5-6H,3H2,1H3/t5-,6+/m1/s1","InChI=1S/C6H8O/c1-5-3-2-4-6(5)7/h3H,2,4H2,1H3",50.580040000000004,-35.65732,
14967,[C:1]([C:2]1=[C:3]([H:11])[C:4]([H:12])([H:13])[C@@:5]2([H:14])[O:6][C@@:7]12[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:14])[C-:3]([H:11])[C:4]([H:12])([H:13])[C:5]2=[O+:6][C@@:7]12[H:15])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-4-2-3-5-6(4)7-5/h2,5-6H,3H2,1H3/t5-,6+/m1/s1","InChI=1S/C6H8O/c1-4-2-3-5-6(4)7-5/h2,4,6H,3H2,1H3/t4-,6-/m0/s1",113.23886,70.2436,
14968,[C:1]([C:2]1=[C:3]([H:11])[C:4]([H:12])([H:13])[C@@:5]2([H:14])[O:6][C@@:7]12[H:15])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:3]([H:11])[C:4]([H:12])([H:13])[O:6][C@@:7]1([C:5][H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-4-2-3-5-6(4)7-5/h2,5-6H,3H2,1H3/t5-,6+/m1/s1","InChI=1S/C6H8O/c1-5-3-4-7-6(5)2/h2-3,6H,4H2,1H3/t6-/m1/s1",101.96721,77.34243000000001,
14969,[C:1]([C:2]1=[C:3]([H:11])[C:4]([H:12])([H:13])[C@@:5]2([H:14])[O:6][C@@:7]12[H:15])([H:8])([H:9])[H:10],[C:1]([C@:2]1([H:11])[C:3][C:4]([H:12])([H:13])[C@@:5]2([H:14])[O:6][C@@:7]12[H:15])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-4-2-3-5-6(4)7-5/h2,5-6H,3H2,1H3/t5-,6+/m1/s1","InChI=1S/C6H8O/c1-4-2-3-5-6(4)7-5/h4-6H,3H2,1H3/t4-,5-,6+/m1/s1",71.453,74.82558,Singlet_Carbene_Intra_Disproportionation
14970,[C:1]([C:2]1=[C:3]([H:11])[C:4]([H:12])([H:13])[C@@:5]2([H:14])[O:6][C@@:7]12[H:15])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:7]([H:15])[O:6][C@@:5]2([H:14])[C@@:3]1([H:11])[C:4]2([H:12])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-4-2-3-5-6(4)7-5/h2,5-6H,3H2,1H3/t5-,6+/m1/s1","InChI=1S/C6H8O/c1-4-3-7-6-2-5(4)6/h3,5-6H,2H2,1H3/t5-,6+/m0/s1",72.28647,70.39513000000001,
14971,[C:1]([C:2]1=[C:3]([H:11])[C:4]([H:12])([H:13])[C@@:5]2([H:14])[O:6][C@@:7]12[H:15])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:7]([H:15])[O:6][C:5]([H:13])([H:14])[C:4]([H:12])=[C:3]1[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-4-2-3-5-6(4)7-5/h2,5-6H,3H2,1H3/t5-,6+/m1/s1","InChI=1S/C6H8O/c1-6-3-2-4-7-5-6/h2-3,5H,4H2,1H3",54.25395,-12.05205,
14972,[C:1]([C:2]1=[C:3]([H:11])[C:4]([H:12])([H:13])[C@@:5]2([H:14])[O:6][C@@:7]12[H:15])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:7]([H:15])[C@@:3]1([C:4]([C:5](=[O:6])[H:14])([H:12])[H:13])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-4-2-3-5-6(4)7-5/h2,5-6H,3H2,1H3/t5-,6+/m1/s1","InChI=1S/C6H8O/c1-5-4-6(5)2-3-7/h3-4,6H,2H2,1H3/t6-/m0/s1",55.18046999999999,21.88946,
14973,[C:1]([C:2]1=[C:3]([H:11])[C:4]([H:12])([H:13])[C@@:5]2([H:14])[O:6][C@@:7]12[H:15])([H:8])([H:9])[H:10],[C:1]([C:4]([C@@:5]1([H:14])[O:6][C@:7]1([C:2]#[C:3][H:11])[H:15])([H:12])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-4-2-3-5-6(4)7-5/h2,5-6H,3H2,1H3/t5-,6+/m1/s1","InChI=1S/C6H8O/c1-3-5-6(4-2)7-5/h1,5-6H,4H2,2H3/t5-,6+/m0/s1",123.97408,30.135790000000004,
14974,[C:1]([C:2]1=[C:3]([H:11])[C:4]([H:12])([H:13])[C@@:5]2([H:14])[O:6][C@@:7]12[H:15])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:3]([H:11])[C:4]([H:12])([H:13])[C:5][C@:7]1([O:6][H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-4-2-3-5-6(4)7-5/h2,5-6H,3H2,1H3/t5-,6+/m1/s1","InChI=1S/C6H8O/c1-5-3-2-4-6(5)7/h3,6-7H,2H2,1H3/t6-/m1/s1",63.766619999999996,62.1369,
14975,[C:1]([C:2]1=[C:3]([H:11])[C:4]([H:12])([H:13])[C@@:5]2([H:14])[O:6][C@@:7]12[H:15])([H:8])([H:9])[H:10],[C:1](=[C:2]1[C:3]([H:11])=[C:4]([H:13])[C@@:5]2([H:14])[O:6][C@@:7]12[H:15])([H:8])[H:10].[H:9][H:12],"InChI=1S/C6H8O/c1-4-2-3-5-6(4)7-5/h2,5-6H,3H2,1H3/t5-,6+/m1/s1","InChI=1S/C6H6O.H2/c1-4-2-3-5-6(4)7-5;/h2-3,5-6H,1H2;1H/t5-,6+;/m1./s1",73.55728,29.256729999999997,
14976,[C:1]([C:2]1=[C:3]([H:11])[C:4]([H:12])([H:13])[C@@:5]2([H:14])[O:6][C@@:7]12[H:15])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3])[C@@:7]1([H:15])[C@:5]([C:4]([H:11])([H:12])[H:13])([H:14])[O:6]1)([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-4-2-3-5-6(4)7-5/h2,5-6H,3H2,1H3/t5-,6+/m1/s1","InChI=1S/C6H8O/c1-4(2)6-5(3)7-6/h5-6H,1,3H3/t5-,6+/m1/s1",78.07693,78.89895,
14977,[C:1]([C:2]1=[C:3]([H:11])[C:4]([H:12])([H:13])[C@@:5]2([H:14])[O:6][C@@:7]12[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:3]1([H:11])[C:2][C@@:7]2([H:15])[C@@:5]([H:14])([C:4]1([H:12])[H:13])[O:6]2)([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-4-2-3-5-6(4)7-5/h2,5-6H,3H2,1H3/t5-,6+/m1/s1","InChI=1S/C6H8O/c1-4-2-5-6(3-4)7-5/h4-6H,2H2,1H3/t4-,5-,6+/m1/s1",78.13781,73.7892,
14978,[C:1]([C:2]1=[C:3]([H:11])[C:4]([H:12])([H:13])[C@@:5]2([H:14])[O:6][C@@:7]12[H:15])([H:8])([H:9])[H:10],[C:1]([C@:2]1([C:7](=[O:6])[H:15])[C@@:3]2([H:11])[C:4]([H:12])([H:13])[C@@:5]12[H:14])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-4-2-3-5-6(4)7-5/h2,5-6H,3H2,1H3/t5-,6+/m1/s1","InChI=1S/C6H8O/c1-6(3-7)4-2-5(4)6/h3-5H,2H2,1H3/t4-,5+,6-",64.20608,17.88927,
14979,[C:1]([C:2]1=[C:3]([H:11])[C:4]([H:12])([H:13])[C@@:5]2([H:14])[O:6][C@@:7]12[H:15])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:3]([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])=[C:7]([H:15])[O:6]1)([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-4-2-3-5-6(4)7-5/h2,5-6H,3H2,1H3/t5-,6+/m1/s1","InChI=1S/C6H8O/c1-6-4-2-3-5-7-6/h3-5H,2H2,1H3",67.11384,-16.40319,
14980,[C:1]([C:2]1=[C:3]([H:11])[C:4]([H:12])([H:13])[C@@:5]2([H:14])[O:6][C@@:7]12[H:15])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:3]([H:11])[C:4]([H:12])([H:13])[C@@:5]([C:7][H:15])([H:14])[O:6]1)([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-4-2-3-5-6(4)7-5/h2,5-6H,3H2,1H3/t5-,6+/m1/s1","InChI=1S/C6H8O/c1-5-3-4-6(2)7-5/h1,4-5H,3H2,2H3/t5-/m0/s1",87.81999,74.27887,
14981,[C:1]([C@@:2]1([H:11])[N:3]2[C:4]([H:12])([H:13])[C:5]1([O:6][H:14])[C:7]2([H:15])[H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[N:3]([C:4]([H:12])([H:13])[H:14])[C:7]([H:15])([H:16])[C:5]1=[O:6])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-4-5(7)2-6(4)3-5/h4,7H,2-3H2,1H3/t4-/m1/s1","InChI=1S/C5H9NO/c1-4-5(7)3-6(4)2/h4H,3H2,1-2H3/t4-/m1/s1",56.47034,-37.62022,
14982,[C:1]([C@@:2]1([H:11])[N:3]2[C:4]([H:12])([H:13])[C:5]1([O:6][H:14])[C:7]2([H:15])[H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[N+:3]2([H:13])[C-:4]([H:12])[C@:5]1([O:6][H:14])[C:7]2([H:15])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-4-5(7)2-6(4)3-5/h4,7H,2-3H2,1H3/t4-/m1/s1","InChI=1S/C5H9NO/c1-4-5(7)2-6(4)3-5/h2,4,6-7H,3H2,1H3/t4-,5+/m1/s1",68.14151,57.14365,
14983,[C:1]([C@@:2]1([H:11])[N:3]2[C:4]([H:12])([H:13])[C:5]1([O:6][H:14])[C:7]2([H:15])[H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[N:3]2[C@:5]1([C:4]([O:6][H:14])([H:12])[H:13])[C:7]2([H:15])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-4-5(7)2-6(4)3-5/h4,7H,2-3H2,1H3/t4-/m1/s1","InChI=1S/C5H9NO/c1-4-5(3-7)2-6(4)5/h4,7H,2-3H2,1H3/t4-,5+,6?/m1/s1",50.34326,-10.16209,
14984,[C:1]([C@@:2]1([H:11])[N:3]2[C:4]([H:12])([H:13])[C:5]1([O:6][H:14])[C:7]2([H:15])[H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C:7]([H:15])([H:16])[C@:5]1([C:4][H:13])[O:6][H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-4-5(7)2-6(4)3-5/h4,7H,2-3H2,1H3/t4-/m1/s1","InChI=1S/C5H9NO/c1-4-5(2,7)3-6-4/h2,4,6-7H,3H2,1H3/t4-,5+/m1/s1",66.72999,49.89605,
14985,[C:1]([C@@:2]1([H:11])[N:3]2[C:4]([H:12])([H:13])[C:5]1([O:6][H:14])[C:7]2([H:15])[H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]([C:5]12[N:3]([C:4]1([H:12])[H:13])[C:7]2([H:15])[H:16])([O:6][H:14])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-4-5(7)2-6(4)3-5/h4,7H,2-3H2,1H3/t4-/m1/s1","InChI=1S/C5H9NO/c1-4(7)5-2-6(5)3-5/h4,7H,2-3H2,1H3/t4-,5?,6?/m0/s1",47.83217,-12.118789999999999,
14986,[C:1]([C@@:2]1([H:11])[N:3]2[C:4]([H:12])([H:13])[C:5]1([O:6][H:14])[C:7]2([H:15])[H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]([N:3]=[C:7]([H:15])[H:16])([C:5](=[C:4]([H:12])[H:13])[O:6][H:14])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-4-5(7)2-6(4)3-5/h4,7H,2-3H2,1H3/t4-/m1/s1","InChI=1S/C5H9NO/c1-4(6-3)5(2)7/h4,7H,2-3H2,1H3/t4-/m1/s1",37.1521,-43.0115,
14987,[C:1]([C@@:2]1([H:11])[N:3]2[C:4]([H:12])([H:13])[C:5]1([O:6][H:14])[C:7]2([H:15])[H:16])([H:8])([H:9])[H:10],[C:1](=[C:2]([N:3]1[C:4]([H:12])([H:13])[C:5](=[O:6])[C:7]1([H:15])[H:16])[H:11])([H:8])[H:10].[H:9][H:14],"InChI=1S/C5H9NO/c1-4-5(7)2-6(4)3-5/h4,7H,2-3H2,1H3/t4-/m1/s1","InChI=1S/C5H7NO.H2/c1-2-6-3-5(7)4-6;/h2H,1,3-4H2;1H",54.307469999999995,-12.76414,
14988,[C:1]([C@@:2]1([H:11])[N:3]2[C:4]([H:12])([H:13])[C:5]1([O:6][H:14])[C:7]2([H:15])[H:16])([H:8])([H:9])[H:10],[C-:2]1([H:11])[N+:3]23[C:4]([H:12])([H:13])[C:5]12[C:7]3([H:15])[H:16].[C:1]([O:6][H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-4-5(7)2-6(4)3-5/h4,7H,2-3H2,1H3/t4-/m1/s1","InChI=1S/C4H5N.CH4O/c1-4-2-5(1,4)3-4;1-2/h1H,2-3H2;2H,1H3",117.08886000000001,87.44305,
14989,[O:1]=[C:2]([C:3]12[C:4]([H:9])([H:10])[N:5]([C:6]1([H:11])[H:12])[C:7]2([H:13])[H:14])[H:8],[O-:1][C:2]([C:3]12[C:4]([H:9])([H:10])[N+:5](=[C:6]1[H:11])[C:7]2([H:13])[H:14])([H:8])[H:12],"InChI=1S/C5H7NO/c7-4-5-1-6(2-5)3-5/h4H,1-3H2","InChI=1S/C5H7NO/c7-4-5-1-6(2-5)3-5/h1H,2-4H2",99.38320999999999,80.23295999999999,
14990,[O:1]=[C:2]([C:3]12[C:4]([H:9])([H:10])[N:5]([C:6]1([H:11])[H:12])[C:7]2([H:13])[H:14])[H:8],[O-:1][C:2](=[C:3]1[C:4]([H:9])([H:10])[N+:5](=[C:6]([H:11])[H:12])[C:7]1([H:13])[H:14])[H:8],"InChI=1S/C5H7NO/c7-4-5-1-6(2-5)3-5/h4H,1-3H2","InChI=1S/C5H7NO/c1-6-2-5(3-6)4-7/h4H,1-3H2",22.84843,-2.78595,
14991,[O:1]=[C:2]([C:3]12[C:4]([H:9])([H:10])[N:5]([C:6]1([H:11])[H:12])[C:7]2([H:13])[H:14])[H:8],[C:3]12([C:6]([H:8])([H:11])[H:12])[C:4]([H:9])([H:10])[N:5]1[C:7]2([H:13])[H:14].[O+:1]#[C-:2],"InChI=1S/C5H7NO/c7-4-5-1-6(2-5)3-5/h4H,1-3H2","InChI=1S/C4H7N.CO/c1-4-2-5(4)3-4;1-2/h2-3H2,1H3;",51.06621,-22.8163,
14992,[O:1]=[C:2]([C:3]12[C:4]([H:9])([H:10])[N:5]([C:6]1([H:11])[H:12])[C:7]2([H:13])[H:14])[H:8],[O:1](/[C:2](=[C:3]1\[C@:4]2([H:10])[N:5]([C:6]1([H:11])[H:12])[C:7]2([H:13])[H:14])[H:8])[H:9],"InChI=1S/C5H7NO/c7-4-5-1-6(2-5)3-5/h4H,1-3H2","InChI=1S/C5H7NO/c7-3-4-1-6-2-5(4)6/h3,5,7H,1-2H2/b4-3-/t5-,6?/m1/s1",83.52399,-16.35266,
14993,[O:1]=[C:2]([C:3]12[C:4]([H:9])([H:10])[N:5]([C:6]1([H:11])[H:12])[C:7]2([H:13])[H:14])[H:8],[O:1]=[C:2]([C:4]([N+:5]12[C-:3]([C:6]1([H:11])[H:12])[C:7]2([H:13])[H:14])([H:9])[H:10])[H:8],"InChI=1S/C5H7NO/c7-4-5-1-6(2-5)3-5/h4H,1-3H2","InChI=1S/C5H7NO/c7-2-1-6-3-5(6)4-6/h2H,1,3-4H2",50.721140000000005,34.73162,
14994,[O:1]=[C:2]([C:3]12[C:4]([H:9])([H:10])[N:5]([C:6]1([H:11])[H:12])[C:7]2([H:13])[H:14])[H:8],[O:1]=[C:2]([C:3]1([C:7]([N:5])([H:13])[H:14])[C:4]([H:9])([H:10])[C:6]1([H:11])[H:12])[H:8],"InChI=1S/C5H7NO/c7-4-5-1-6(2-5)3-5/h4H,1-3H2","InChI=1S/C5H7NO/c6-3-5(4-7)1-2-5/h4H,1-3H2",88.19724000000001,19.66092,
14995,[O:1]=[C:2]([C:3]12[C:4]([H:9])([H:10])[N:5]([C:6]1([H:11])[H:12])[C:7]2([H:13])[H:14])[H:8],[O+:1](=[C-:2][H:8])[C:3]12[C:4]([H:9])([H:10])[N:5]([C:6]1([H:11])[H:12])[C:7]2([H:13])[H:14],"InChI=1S/C5H7NO/c7-4-5-1-6(2-5)3-5/h4H,1-3H2","InChI=1S/C5H7NO/c1-7-5-2-6(3-5)4-5/h1H,2-4H2",92.95945,61.038219999999995,
14996,[O:1]=[C:2]([C:3]12[C:4]([H:9])([H:10])[N:5]([C:6]1([H:11])[H:12])[C:7]2([H:13])[H:14])[H:8],[O:1]=[C:2]([C:3]1([C:4][H:9])[C:6]([H:11])([H:12])[N:5]([H:10])[C:7]1([H:13])[H:14])[H:8],"InChI=1S/C5H7NO/c7-4-5-1-6(2-5)3-5/h4H,1-3H2","InChI=1S/C5H7NO/c1-5(4-7)2-6-3-5/h1,4,6H,2-3H2",67.17184,40.014520000000005,
14997,[O:1]=[C:2]([C:3]12[C:4]([H:9])([H:10])[N:5]([C:6]1([H:11])[H:12])[C:7]2([H:13])[H:14])[H:8],[O-:1][C:2](=[C+:3][C:7]([N:5]1[C:4]([H:9])([H:10])[C:6]1([H:11])[H:12])([H:13])[H:14])[H:8],"InChI=1S/C5H7NO/c7-4-5-1-6(2-5)3-5/h4H,1-3H2","InChI=1S/C5H7NO/c7-5-1-2-6-3-4-6/h5H,2-4H2",85.26046,34.48271,
14998,[O:1]=[C:2]([C:3]12[C:4]([H:9])([H:10])[N:5]([C:6]1([H:11])[H:12])[C:7]2([H:13])[H:14])[H:8],[O:1]=[C:2]([C:7]([C:3]12[C:4]([H:9])([H:10])[N:5]1[C:6]2([H:11])[H:12])([H:13])[H:14])[H:8],"InChI=1S/C5H7NO/c7-4-5-1-6(2-5)3-5/h4H,1-3H2","InChI=1S/C5H7NO/c7-2-1-5-3-6(5)4-5/h2H,1,3-4H2",50.72217,-18.75806,
14999,[O:1]=[C:2]([C:3]12[C:4]([H:9])([H:10])[N:5]([C:6]1([H:11])[H:12])[C:7]2([H:13])[H:14])[H:8],[O:1]1[C:2]([H:8])([H:13])[C:3]23[C:4]([H:9])([H:10])[N:5]([C:6]2([H:11])[H:12])[C@@:7]13[H:14],"InChI=1S/C5H7NO/c7-4-5-1-6(2-5)3-5/h4H,1-3H2","InChI=1S/C5H7NO/c1-5-2-6(1)4(5)7-3-5/h4H,1-3H2/t4-/m0/s1",99.74531999999999,59.5034,
15000,[O:1]=[C:2]([C:3]12[C:4]([H:9])([H:10])[N:5]([C:6]1([H:11])[H:12])[C:7]2([H:13])[H:14])[H:8],[O:1]=[C:2]([C:3]12[C:4]([H:9])([H:10])[N+:5]([H:14])([C:6]1([H:11])[H:12])[C-:7]2[H:13])[H:8],"InChI=1S/C5H7NO/c7-4-5-1-6(2-5)3-5/h4H,1-3H2","InChI=1S/C5H7NO/c7-4-5-1-6(2-5)3-5/h1,4,6H,2-3H2",67.63851,53.6093,
15001,[O:1]=[C:2]([C:3]12[C:4]([H:9])([H:10])[N:5]([C:6]1([H:11])[H:12])[C:7]2([H:13])[H:14])[H:8],[O+:1](=[C-:2][H:8])[C:7]([C:3]12[C:4]([H:9])([H:10])[N:5]1[C:6]2([H:11])[H:12])([H:13])[H:14],"InChI=1S/C5H7NO/c7-4-5-1-6(2-5)3-5/h4H,1-3H2","InChI=1S/C5H7NO/c1-7-4-5-2-6(5)3-5/h1H,2-4H2",64.94414,50.588029999999996,
15002,[C:1]([C@@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C@@:5]2([H:14])[O:6][C@@:7]12[H:15])([H:8])([H:9])[H:10],[C:1]([C:2]([O:3][H:11])([C:4]([H:12])([H:13])[H:14])[C@@:7]1([H:15])[C-:5]=[O+:6]1)([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-5(6)2-3-4(5)7-3/h3-4,6H,2H2,1H3/t3-,4-,5-/m1/s1","InChI=1S/C5H8O2/c1-5(2,6)4-3-7-4/h4,6H,1-2H3/t4-/m1/s1",58.30842,29.20362,
15003,[C:1]([C@@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C@@:5]2([H:14])[O:6][C@@:7]12[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C:5][C@:7]1([O:6][H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-5(6)2-3-4(5)7-3/h3-4,6H,2H2,1H3/t3-,4-,5-/m1/s1","InChI=1S/C5H8O2/c1-5(7)3-2-4(5)6/h4,6-7H,3H2,1H3/t4-,5-/m1/s1",62.607209999999995,62.466840000000005,
15004,[C:1]([C@@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C@@:5]2([H:14])[O:6][C@@:7]12[H:15])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:11].[C:2]1(=[O:3])[C:4]([H:12])([H:13])[C@@:5]2([H:14])[O:6][C@@:7]12[H:15],"InChI=1S/C5H8O2/c1-5(6)2-3-4(5)7-3/h3-4,6H,2H2,1H3/t3-,4-,5-/m1/s1","InChI=1S/C4H4O2.CH4/c5-2-1-3-4(2)6-3;/h3-4H,1H2;1H4/t3-,4+;/m1./s1",74.12955,6.221430000000001,
15005,[C:1]([C@@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C@@:5]2([H:14])[O:6][C@@:7]12[H:15])([H:8])([H:9])[H:10],[C:1](/[C:2]([O:3][H:11])=[C:7](/[O:6][C:5](=[C:4]([H:12])[H:13])[H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-5(6)2-3-4(5)7-3/h3-4,6H,2H2,1H3/t3-,4-,5-/m1/s1","InChI=1S/C5H8O2/c1-3-7-4-5(2)6/h3-4,6H,1H2,2H3/b5-4-",57.37055,-14.11779,
15006,[C:1]([C@@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C@@:5]2([H:14])[O:6][C@@:7]12[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C-:5]([H:14])[O+:6]=[C:7]1[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-5(6)2-3-4(5)7-3/h3-4,6H,2H2,1H3/t3-,4-,5-/m1/s1","InChI=1S/C5H8O2/c1-5(6)2-3-7-4-5/h3-4,6H,2H2,1H3/t5-/m1/s1",49.99195,16.942529999999998,
15007,[C:1]([C@@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C@@:5]2([H:14])[O:6][C@@:7]12[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]([O:3][H:11])([C:4]([C@@:5]1([H:14])[O+:6]=[C-:7]1)([H:12])[H:13])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-5(6)2-3-4(5)7-3/h3-4,6H,2H2,1H3/t3-,4-,5-/m1/s1","InChI=1S/C5H8O2/c1-4(6)2-5-3-7-5/h4-6H,2H2,1H3/t4-,5-/m1/s1",49.29853,31.899359999999998,
15008,[C:1]([C@@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C@@:5]2([H:14])[O:6][C@@:7]12[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C@:5]([O:6][H:15])([H:14])[C:7]1)([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-5(6)2-3-4(5)7-3/h3-4,6H,2H2,1H3/t3-,4-,5-/m1/s1","InChI=1S/C5H8O2/c1-5(7)2-4(6)3-5/h4,6-7H,2H2,1H3/t4-,5-/m1/s1",61.81901,59.846340000000005,
15009,[C:1]([C@@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C@@:5]2([H:14])[O:6][C@@:7]12[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C-:5]=[O+:6][C:7]1([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-5(6)2-3-4(5)7-3/h3-4,6H,2H2,1H3/t3-,4-,5-/m1/s1","InChI=1S/C5H8O2/c1-5(6)2-3-7-4-5/h6H,2,4H2,1H3/t5-/m1/s1",59.199180000000005,14.63483,
15010,[C:1]([C@@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C@@:5]2([H:14])[O:6][C@@:7]12[H:15])([H:8])([H:9])[H:10],[C:1](=[C:2]([O:3][H:11])[C:4]([C@@:5]1([H:14])[O+:6]=[C-:7]1)([H:12])[H:13])([H:8])[H:9].[H:10][H:15],"InChI=1S/C5H8O2/c1-5(6)2-3-4(5)7-3/h3-4,6H,2H2,1H3/t3-,4-,5-/m1/s1","InChI=1S/C5H6O2.H2/c1-4(6)2-5-3-7-5;/h5-6H,1-2H2;1H/t5-;/m1./s1",89.03755,54.52389,
15011,[C:1]([C@@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C@@:5]2([H:14])[O:6][C@@:7]12[H:15])([H:8])([H:9])[H:10],[C:1]([C:2](=[O:3])[C:4]([C@@:5]1([H:14])[O+:6]=[C-:7]1)([H:12])[H:13])([H:8])([H:9])[H:10].[H:11][H:15],"InChI=1S/C5H8O2/c1-5(6)2-3-4(5)7-3/h3-4,6H,2H2,1H3/t3-,4-,5-/m1/s1","InChI=1S/C5H6O2.H2/c1-4(6)2-5-3-7-5;/h5H,2H2,1H3;1H/t5-;/m1./s1",70.75916,45.2814,
15012,[C:1]([C@@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C@@:5]2([H:14])[O:6][C@@:7]12[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C@:5]1([O+:6]=[C-:7][H:15])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-5(6)2-3-4(5)7-3/h3-4,6H,2H2,1H3/t3-,4-,5-/m1/s1","InChI=1S/C5H8O2/c1-5(6)3-4(5)7-2/h2,4,6H,3H2,1H3/t4-,5-/m1/s1",71.7626,48.81868,
15013,[C:1]([C@@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C@@:5]2([H:14])[O:6][C@@:7]12[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[O+:6]=[C-:7]1)([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-5(6)2-3-4(5)7-3/h3-4,6H,2H2,1H3/t3-,4-,5-/m1/s1","InChI=1S/C5H8O2/c1-5(6)2-3-7-4-5/h6H,2-3H2,1H3/t5-/m1/s1",56.863640000000004,11.850760000000001,
15014,[C:1]([C@@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C@@:5]2([H:14])[O:6][C@@:7]12[H:15])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:4]([H:13])[C@@:5]2([H:14])[O:6][C@@:7]12[H:15])([H:8])([H:9])[H:10].[O:3]([H:11])[H:12],"InChI=1S/C5H8O2/c1-5(6)2-3-4(5)7-3/h3-4,6H,2H2,1H3/t3-,4-,5-/m1/s1","InChI=1S/C5H6O.H2O/c1-3-2-4-5(3)6-4;/h2,4-5H,1H3;1H2/t4-,5+;/m1./s1",63.230669999999996,30.219959999999997,"1,3_Insertion_ROR"
15015,[C:1]([C@@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C@@:5]2([H:14])[O:6][C@@:7]12[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([O-:3])[C+:4]([H:12])[C@@:5]2([H:14])[O:6][C@@:7]12[H:15])([H:8])([H:9])[H:10].[H:11][H:13],"InChI=1S/C5H8O2/c1-5(6)2-3-4(5)7-3/h3-4,6H,2H2,1H3/t3-,4-,5-/m1/s1","InChI=1S/C5H6O2.H2/c1-5(6)2-3-4(5)7-3;/h2-4H,1H3;1H/t3-,4-,5-;/m1./s1",93.23312,81.08239,
15016,[C:1]([C@@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C@@:5]2([H:14])[O:6][C@@:7]12[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]([O:3][H:11])([C:4]([C:5](=[O:6])[H:14])([H:12])[H:13])[C:7][H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-5(6)2-3-4(5)7-3/h3-4,6H,2H2,1H3/t3-,4-,5-/m1/s1","InChI=1S/C5H8O2/c1-5(2,7)3-4-6/h1,4,7H,3H2,2H3/t5-/m1/s1",53.20548,54.0802,
15017,[C:1]([C@@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C@@:5]2([H:14])[O:6][C@@:7]12[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]12[C:4]([H:12])([H:13])[C@@:5]([H:14])([O:6]1)[C@@:7]2([O:3][H:11])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-5(6)2-3-4(5)7-3/h3-4,6H,2H2,1H3/t3-,4-,5-/m1/s1","InChI=1S/C5H8O2/c1-5-2-3(7-5)4(5)6/h3-4,6H,2H2,1H3/t3-,4+,5+/m1/s1",57.81098000000001,16.18928,
15018,[C:1]([C@@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C@@:5]2([H:14])[O:6][C@@:7]12[H:15])([H:8])([H:9])[H:10],[C-:1]([C@@:2]([O:3][H:11])([C:4]([H:10])([H:12])[H:13])[C@@:7]1([H:15])[C:5]([H:14])=[O+:6]1)([H:8])[H:9],"InChI=1S/C5H8O2/c1-5(6)2-3-4(5)7-3/h3-4,6H,2H2,1H3/t3-,4-,5-/m1/s1","InChI=1S/C5H8O2/c1-5(2,6)4-3-7-4/h3-4,6H,1H2,2H3/t4-,5-/m1/s1",105.48191000000001,64.44400999999999,
15019,[C:1]([C@@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C@@:5]2([H:14])[O:6][C@@:7]12[H:15])([H:8])([H:9])[H:10],[C:1]([C:2](=[O:3])[C:4]([C@@:5]1([H:14])[O:6][C:7]1([H:11])[H:15])([H:12])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-5(6)2-3-4(5)7-3/h3-4,6H,2H2,1H3/t3-,4-,5-/m1/s1","InChI=1S/C5H8O2/c1-4(6)2-5-3-7-5/h5H,2-3H2,1H3/t5-/m1/s1",56.850719999999995,-19.35601,
15020,[C:1]([C@@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C@@:5]2([H:14])[O:6][C@@:7]12[H:15])([H:8])([H:9])[H:10],[C:1]([C:2]([O:3][H:11])=[C:4]([H:12])[H:13])([H:8])([H:9])[H:10].[C:5]([O-:6])(=[C+:7][H:15])[H:14],"InChI=1S/C5H8O2/c1-5(6)2-3-4(5)7-3/h3-4,6H,2H2,1H3/t3-,4-,5-/m1/s1","InChI=1S/C3H6O.C2H2O/c1-3(2)4;1-2-3/h4H,1H2,2H3;1-2H",63.915259999999996,60.15492,
15021,[C:1]([C@@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C@@:5]2([H:14])[O:6][C@@:7]12[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]([O:3][H:11])([C:4]([C:5][H:14])([H:12])[H:13])[C:7](=[O:6])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-5(6)2-3-4(5)7-3/h3-4,6H,2H2,1H3/t3-,4-,5-/m1/s1","InChI=1S/C5H8O2/c1-3-5(2,7)4-6/h1,4,7H,3H2,2H3/t5-/m1/s1",60.017680000000006,56.76485,
15022,[C:1]([C@@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C@@:5]2([H:14])[O:6][C@@:7]12[H:15])([H:8])([H:9])[H:10],[C:1](=[C:2]([O:3][H:11])[C:7]([O:6][C:5](=[C:4]([H:12])[H:13])[H:14])([H:10])[H:15])([H:8])[H:9],"InChI=1S/C5H8O2/c1-5(6)2-3-4(5)7-3/h3-4,6H,2H2,1H3/t3-,4-,5-/m1/s1","InChI=1S/C5H8O2/c1-3-7-4-5(2)6/h3,6H,1-2,4H2",82.0055,-14.6635,
15023,[C:1]([C@@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C@@:5]2([H:14])[O:6][C@@:7]12[H:15])([H:8])([H:9])[H:10],[C:1](=[C:2]1[C:4]([H:12])([H:13])[C@@:5]2([H:14])[O:6][C@@:7]12[H:15])([H:8])[H:9].[O:3]([H:10])[H:11],"InChI=1S/C5H8O2/c1-5(6)2-3-4(5)7-3/h3-4,6H,2H2,1H3/t3-,4-,5-/m1/s1","InChI=1S/C5H6O.H2O/c1-3-2-4-5(3)6-4;/h4-5H,1-2H2;1H2/t4-,5+;/m1./s1",63.23477,17.47304,"1,3_Insertion_ROR"
15024,[C:1]([C@@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C@@:5]2([H:14])[O:6][C@@:7]12[H:15])([H:8])([H:9])[H:10],[C:1]([C:4]([C@@:5]1([H:14])[O:6][C@:7]1([C:2][O:3][H:11])[H:15])([H:12])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-5(6)2-3-4(5)7-3/h3-4,6H,2H2,1H3/t3-,4-,5-/m1/s1","InChI=1S/C5H8O2/c1-2-4-5(3-6)7-4/h4-6H,2H2,1H3/t4-,5+/m1/s1",100.05142,39.11137,
15025,[C:1]([C@@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C@@:5]2([H:14])[O:6][C@@:7]12[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C-:5]=[O+:6][C:7]1)([H:8])([H:9])[H:10].[H:14][H:15],"InChI=1S/C5H8O2/c1-5(6)2-3-4(5)7-3/h3-4,6H,2H2,1H3/t3-,4-,5-/m1/s1","InChI=1S/C5H6O2.H2/c1-5(6)2-3-7-4-5;/h6H,2H2,1H3;1H/t5-;/m1./s1",104.39875,106.39668999999999,
15026,[C:1]([C@@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C@@:5]2([H:14])[O:6][C@@:7]12[H:15])([H:8])([H:9])[H:10],[C:1]1([H:8])([H:9])[C:2](=[O:3])[C@@:7]2([H:15])[C@@:5]([H:14])([C:4]1([H:12])[H:13])[O:6]2.[H:10][H:11],"InChI=1S/C5H8O2/c1-5(6)2-3-4(5)7-3/h3-4,6H,2H2,1H3/t3-,4-,5-/m1/s1","InChI=1S/C5H6O2.H2/c6-3-1-2-4-5(3)7-4;/h4-5H,1-2H2;1H/t4-,5+;/m1./s1",78.86864,-5.07561,
15027,[C:1]([C@@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C@@:5]2([H:14])[O:6][C@@:7]12[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[O:6][C@@:7]1([C:5][H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-5(6)2-3-4(5)7-3/h3-4,6H,2H2,1H3/t3-,4-,5-/m1/s1","InChI=1S/C5H8O2/c1-4-5(2,6)3-7-4/h1,4,6H,3H2,2H3/t4-,5-/m1/s1",97.15266,73.44974,
15028,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[O:4][C@:5]([C:6]([H:15])([H:16])[H:17])([H:14])[C:7]1([H:18])[H:19])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3](=[O:4])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10].[C:5]([C:6]([H:15])([H:16])[H:17])(=[C:7]([H:18])[H:19])[H:14],"InChI=1S/C6H12O/c1-5-3-6(2)7-4-5/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C3H6O.C3H6/c1-2-3-4;1-3-2/h3H,2H2,1H3;3H,1H2,2H3",70.74571999999999,18.16245,
15029,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[O:4][C@:5]([C:6]([H:15])([H:16])[H:17])([H:14])[C:7]1([H:18])[H:19])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[O+:4]=[C-:5][C:7]1([H:18])[H:19])([H:8])([H:9])[H:10].[C:6]([H:14])([H:15])([H:16])[H:17],"InChI=1S/C6H12O/c1-5-3-6(2)7-4-5/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C5H8O.CH4/c1-5-2-3-6-4-5;/h5H,2,4H2,1H3;1H4/t5-;/m1./s1",70.17736,55.28425,
15030,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[O:4][C@:5]([C:6]([H:15])([H:16])[H:17])([H:14])[C:7]1([H:18])[H:19])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:11].[C:2]1[C:3]([H:12])([H:13])[O:4][C@:5]([C:6]([H:15])([H:16])[H:17])([H:14])[C:7]1([H:18])[H:19],"InChI=1S/C6H12O/c1-5-3-6(2)7-4-5/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C5H8O.CH4/c1-5-3-2-4-6-5;/h5H,3-4H2,1H3;1H4/t5-;/m0./s1",81.23643,84.78686,
15031,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[O:4][C@:5]([C:6]([H:15])([H:16])[H:17])([H:14])[C:7]1([H:18])[H:19])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]([H:12])[H:13])[C:7]([C@@:5]([O:4][H:11])([C:6]([H:15])([H:16])[H:17])[H:14])([H:18])[H:19])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-5-3-6(2)7-4-5/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C6H12O/c1-5(2)4-6(3)7/h6-7H,1,4H2,2-3H3/t6-/m0/s1",72.85087,6.68372,
15032,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[O:4][C@:5]([C:6]([H:15])([H:16])[H:17])([H:14])[C:7]1([H:18])[H:19])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:3]([H:12])[O:4][C@:5]([C:6]([H:15])([H:16])[H:17])([H:14])[C:7]1([H:18])[H:19])([H:8])([H:9])[H:10].[H:11][H:13],"InChI=1S/C6H12O/c1-5-3-6(2)7-4-5/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C6H10O.H2/c1-5-3-6(2)7-4-5;/h4,6H,3H2,1-2H3;1H/t6-;/m0./s1",98.23998,22.37465,
15033,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[O:4][C@:5]([C:6]([H:15])([H:16])[H:17])([H:14])[C:7]1([H:18])[H:19])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C@:3]([O:4][C:5]([C:6]([H:15])([H:16])[H:17])([H:13])[H:14])([H:12])[C:7]1([H:18])[H:19])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-5-3-6(2)7-4-5/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C6H12O/c1-3-7-6-4-5(6)2/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1",112.87682,23.33136,
15034,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[O:4][C@:5]([C:6]([H:15])([H:16])[H:17])([H:14])[C:7]1([H:18])[H:19])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:13])[O:4][C:5]([H:12])([H:14])[C:7]1([H:18])[H:19])([H:8])([H:9])[H:10].[C:6]([H:15])([H:16])[H:17],"InChI=1S/C6H12O/c1-5-3-6(2)7-4-5/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C5H9O.CH3/c1-5-2-3-6-4-5;/h4-5H,2-3H2,1H3;1H3/t5-;/m1./s1",126.99226000000002,87.95229,
15035,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[O:4][C@:5]([C:6]([H:15])([H:16])[H:17])([H:14])[C:7]1([H:18])[H:19])([H:8])([H:9])[H:10],[C:1]([O:4][C@@:5]([C:6]([H:15])([H:16])[H:17])([C:7]([C:2](=[C:3]([H:12])[H:13])[H:11])([H:18])[H:19])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-5-3-6(2)7-4-5/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C6H12O/c1-4-5-6(2)7-3/h4,6H,1,5H2,2-3H3/t6-/m0/s1",104.1965,20.58814,
15036,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[O:4][C@:5]([C:6]([H:15])([H:16])[H:17])([H:14])[C:7]1([H:18])[H:19])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[O:4][C:5]([C:6]([H:15])([H:16])[H:17])=[C:7]1[H:18])([H:8])([H:9])[H:10].[H:14][H:19],"InChI=1S/C6H12O/c1-5-3-6(2)7-4-5/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C6H10O.H2/c1-5-3-6(2)7-4-5;/h3,5H,4H2,1-2H3;1H/t5-;/m1./s1",94.70371,22.53354,
15037,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[O:4][C@:5]([C:6]([H:15])([H:16])[H:17])([H:14])[C:7]1([H:18])[H:19])([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:7](/[C@@:5]([O:4][C:3]([H:12])([H:13])[H:19])([C:6]([H:15])([H:16])[H:17])[H:14])[H:18])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-5-3-6(2)7-4-5/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C6H12O/c1-4-5-6(2)7-3/h4-6H,1-3H3/b5-4+/t6-/m0/s1",83.3783,16.17345,
15038,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[O:4][C@:5]([C:6]([H:15])([H:16])[H:17])([H:14])[C:7]1([H:18])[H:19])([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:7](/[C:5]([C:6]([H:15])([H:16])[H:17])([H:14])[H:19])[H:18])[H:11])([H:8])([H:9])[H:10].[C:3](=[O:4])([H:12])[H:13],"InChI=1S/C6H12O/c1-5-3-6(2)7-4-5/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C5H10.CH2O/c1-3-5-4-2;1-2/h3,5H,4H2,1-2H3;1H2/b5-3+;",75.38356999999999,23.92181,
15039,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[O:4][C@:5]([C:6]([H:15])([H:16])[H:17])([H:14])[C:7]1([H:18])[H:19])([H:8])([H:9])[H:10],[C:1]([C:2]([C:7]([C@@:5]([O+:4]=[C-:3][H:12])([C:6]([H:15])([H:16])[H:17])[H:14])([H:18])[H:19])([H:11])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-5-3-6(2)7-4-5/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C6H12O/c1-4-5-6(2)7-3/h3,6H,4-5H2,1-2H3/t6-/m0/s1",71.17703,63.25956,
15040,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[O:4][C@:5]([C:6]([H:15])([H:16])[H:17])([H:14])[C:7]1([H:18])[H:19])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C-:3]=[O+:4][C@:5]([C:6]([H:15])([H:16])[H:17])([H:14])[C:7]1([H:18])[H:19])([H:8])([H:9])[H:10].[H:12][H:13],"InChI=1S/C6H12O/c1-5-3-6(2)7-4-5/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C6H10O.H2/c1-5-3-6(2)7-4-5;/h5-6H,3H2,1-2H3;1H/t5-,6+;/m1./s1",71.01361,64.31311,
15041,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[O:4][C@:5]([C:6]([H:15])([H:16])[H:17])([H:14])[C:7]1([H:18])[H:19])([H:8])([H:9])[H:10],[C:1]([C:2]1([C:6]([H:15])([H:16])[H:17])[C:3]([H:12])([H:13])[O:4][C:5]([H:14])=[C:7]1[H:18])([H:8])([H:9])[H:10].[H:11][H:19],"InChI=1S/C6H12O/c1-5-3-6(2)7-4-5/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C6H10O.H2/c1-6(2)3-4-7-5-6;/h3-4H,5H2,1-2H3;1H",142.42564,26.876990000000003,
15042,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[O:4][C@:5]([C:6]([H:15])([H:16])[H:17])([H:14])[C:7]1([H:18])[H:19])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([O+:4]=[C-:5][C:6]([H:15])([H:16])[H:17])([H:12])[H:13])([C:7]([H:14])([H:18])[H:19])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-5-3-6(2)7-4-5/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C6H12O/c1-4-7-5-6(2)3/h6H,5H2,1-3H3",75.2241,61.54533000000001,
15043,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[O:4][C@:5]([C:6]([H:15])([H:16])[H:17])([H:14])[C:7]1([H:18])[H:19])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[O:4][C:5](=[C:6]([H:15])[H:17])[C:7]1([H:18])[H:19])([H:8])([H:9])[H:10].[H:14][H:16],"InChI=1S/C6H12O/c1-5-3-6(2)7-4-5/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C6H10O.H2/c1-5-3-6(2)7-4-5;/h5H,2-4H2,1H3;1H/t5-;/m1./s1",90.80018000000001,23.648770000000003,
15044,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[O:4][C@:5]([C:6]([H:15])([H:16])[H:17])([H:14])[C:7]1([H:18])[H:19])([H:8])([H:9])[H:10],[C:1]([C@@:2]([C:3](=[O:4])[H:13])([C:7]([C:5]([C:6]([H:15])([H:16])[H:17])([H:12])[H:14])([H:18])[H:19])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-5-3-6(2)7-4-5/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C6H12O/c1-3-4-6(2)5-7/h5-6H,3-4H2,1-2H3/t6-/m1/s1",74.52524,-2.7695,
15045,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[O:4][C@:5]([C:6]([H:15])([H:16])[H:17])([H:14])[C:7]1([H:18])[H:19])([H:8])([H:9])[H:10],[C:1]([C:3]([C:2](=[C:7]([H:18])[H:19])[H:11])([H:12])[H:13])([H:8])([H:9])[H:10].[O:4]=[C:5]([C:6]([H:15])([H:16])[H:17])[H:14],"InChI=1S/C6H12O/c1-5-3-6(2)7-4-5/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C4H8.C2H4O/c1-3-4-2;1-2-3/h3H,1,4H2,2H3;2H,1H3",86.12080999999999,17.98369,
15046,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[O:4][C@:5]([C:6]([H:15])([H:16])[H:17])([H:14])[C:7]1([H:18])[H:19])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C@@:5]([O:4][C:3]([H:12])([H:13])[H:14])([C:6]([H:15])([H:16])[H:17])[C:7]1([H:18])[H:19])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-5-3-6(2)7-4-5/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C6H12O/c1-5-4-6(5,2)7-3/h5H,4H2,1-3H3/t5-,6-/m1/s1",107.04256000000001,26.13531,
15047,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[O:4][C@:5]([C:6]([H:15])([H:16])[H:17])([H:14])[C:7]1([H:18])[H:19])([H:8])([H:9])[H:10],[C:1]([C:2][H:11])([H:8])([H:9])[H:10].[C:3]1([H:12])([H:13])[O:4][C@:5]([C:6]([H:15])([H:16])[H:17])([H:14])[C:7]1([H:18])[H:19],"InChI=1S/C6H12O/c1-5-3-6(2)7-4-5/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C4H8O.C2H4/c1-4-2-3-5-4;1-2/h4H,2-3H2,1H3;1H,2H3/t4-;/m0./s1",131.94943,122.78013999999999,
15048,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[O:4][C@:5]([C:6]([H:15])([H:16])[H:17])([H:14])[C:7]1([H:18])[H:19])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:7]([H:18])[H:19])[H:11])([H:8])([H:9])[H:10].[C:3]([O:4][C:5](=[C:6]([H:15])[H:17])[H:14])([H:12])([H:13])[H:16],"InChI=1S/C6H12O/c1-5-3-6(2)7-4-5/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C3H6O.C3H6/c1-3-4-2;1-3-2/h3H,1H2,2H3;3H,1H2,2H3",100.39179,34.97266,
15049,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[O:4][C@:5]([C:6]([H:15])([H:16])[H:17])([H:14])[C:7]1([H:18])[H:19])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[O:4][C:5]([H:14])=[C:7]1[H:18])([H:8])([H:9])[H:10].[C:6]([H:15])([H:16])([H:17])[H:19],"InChI=1S/C6H12O/c1-5-3-6(2)7-4-5/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1","InChI=1S/C5H8O.CH4/c1-5-2-3-6-4-5;/h2-3,5H,4H2,1H3;1H4/t5-;/m1./s1",92.49798,15.01791,
15050,[C:1](#[C:2][C@:3]1([H:9])[N:4]([H:10])[C@@:5]1([C:6]#[C:7][H:12])[H:11])[H:8],[C+:1](=[C:2]=[C:3]1[N:4]([H:10])[C@:5]1([C-:6]=[C:7]([H:9])[H:12])[H:11])[H:8],"InChI=1S/C6H5N/c1-3-5-6(4-2)7-5/h1-2,5-7H/t5-,6+","InChI=1S/C6H5N/c1-3-5-6(4-2)7-5/h1,6-7H,2H2/t6-/m0/s1",105.62841,41.675090000000004,
15051,[C:1](#[C:2][C@:3]1([H:9])[N:4]([H:10])[C@@:5]1([C:6]#[C:7][H:12])[H:11])[H:8],[C:1]1([H:8])=[C:2]=[C:3]([H:9])[N:4]([H:10])[C@:5]1([C:6]#[C:7][H:12])[H:11],"InChI=1S/C6H5N/c1-3-5-6(4-2)7-5/h1-2,5-7H/t5-,6+","InChI=1S/C6H5N/c1-2-6-4-3-5-7-6/h1,4-7H/t6-/m0/s1",65.60899,8.01024,
15052,[C:1](#[C:2][C@:3]1([H:9])[N:4]([H:10])[C@@:5]1([C:6]#[C:7][H:12])[H:11])[H:8],[C-:1](=[C:2]1[C+:3]([H:9])[N:4]([H:10])[C:5]([H:11])=[C:6]=[C:7]1[H:12])[H:8],"InChI=1S/C6H5N/c1-3-5-6(4-2)7-5/h1-2,5-7H/t5-,6+","InChI=1S/C6H5N/c1-6-3-2-4-7-5-6/h1,3-5,7H",46.61076,23.205579999999998,
15053,[C:1](#[C:2][C@:3]1([H:9])[N:4]([H:10])[C@@:5]1([C:6]#[C:7][H:12])[H:11])[H:8],[C+:1](=[C:2]=[C-:3][C@@:5]([N:4]([H:9])[H:10])([C:6]#[C:7][H:12])[H:11])[H:8],"InChI=1S/C6H5N/c1-3-5-6(4-2)7-5/h1-2,5-7H/t5-,6+","InChI=1S/C6H5N/c1-3-5-6(7)4-2/h1-2,6H,7H2/t6-/m0/s1",55.8001,49.10836,
15054,[C:1](#[C:2][C@:3]1([H:9])[N:4]([H:10])[C@@:5]1([C:6]#[C:7][H:12])[H:11])[H:8],[C:1]1([H:8])=[C:2]2[C@:3]1([H:9])[N:4]([H:10])[C+:5]([H:11])[C:6]2=[C-:7][H:12],"InChI=1S/C6H5N/c1-3-5-6(4-2)7-5/h1-2,5-7H/t5-,6+","InChI=1S/C6H5N/c1-4-3-7-6-2-5(4)6/h1-3,6-7H/t6-/m1/s1",83.65032,41.39265,
15055,[C:1](#[C:2][C@:3]1([H:9])[N:4]([H:10])[C@@:5]1([C:6]#[C:7][H:12])[H:11])[H:8],[C:1](#[C:2][C-:3]([N:4]([C:5](=[C:6]=[C+:7][H:12])[H:11])[H:10])[H:9])[H:8],"InChI=1S/C6H5N/c1-3-5-6(4-2)7-5/h1-2,5-7H/t5-,6+","InChI=1S/C6H5N/c1-3-5-7-6-4-2/h1-2,5-7H",25.75157,1.68013,
15056,[C:1](#[C:2][C@:3]1([H:9])[N:4]([H:10])[C@@:5]1([C:6]#[C:7][H:12])[H:11])[H:8],[C+:1](=[C:2]=[C-:3][N:4]([C:5]([C:6]#[C:7][H:12])([H:9])[H:11])[H:10])[H:8],"InChI=1S/C6H5N/c1-3-5-6(4-2)7-5/h1-2,5-7H/t5-,6+","InChI=1S/C6H5N/c1-3-5-7-6-4-2/h1-2,7H,5H2",65.04035999999999,22.68667,
15057,[C:1](#[C:2][C@:3]1([H:9])[N:4]([H:10])[C@@:5]1([C:6]#[C:7][H:12])[H:11])[H:8],[C:1]1([H:8])=[C:2]=[C:3]([H:9])[N:4]([H:10])[C:5]([H:11])=[C:6]=[C:7]1[H:12],"InChI=1S/C6H5N/c1-3-5-6(4-2)7-5/h1-2,5-7H/t5-,6+","InChI=1S/C6H5N/c1-2-4-6-7-5-3-1/h1-2,5-7H",20.43206,4.0315,6_membered_central_C-C_shift
15058,[C:1](#[C:2][C@:3]1([H:9])[N:4]([H:10])[C@@:5]1([C:6]#[C:7][H:12])[H:11])[H:8],[C:1](/[C:2](=[C:3]1/[N:4]([H:10])[C@:5]1([C:6]#[C:7][H:12])[H:11])[H:9])[H:8],"InChI=1S/C6H5N/c1-3-5-6(4-2)7-5/h1-2,5-7H/t5-,6+","InChI=1S/C6H5N/c1-3-5-6(4-2)7-5/h1-3,6-7H/b5-3+/t6-/m0/s1",71.11979000000001,57.80219,
15059,[C:1](#[C:2][C@:3]1([H:9])[N:4]([H:10])[C@@:5]1([C:6]#[C:7][H:12])[H:11])[H:8],[C:1](=[C:2])([C@@:3]1([H:9])[N:4]([H:10])[C@:5]1([C:6]#[C:7][H:12])[H:11])[H:8],"InChI=1S/C6H5N/c1-3-5-6(4-2)7-5/h1-2,5-7H/t5-,6+","InChI=1S/C6H5N/c1-3-5-6(4-2)7-5/h1,4-7H/t5-,6+/m0/s1",53.289930000000005,51.34101,Singlet_Carbene_Intra_Disproportionation
15060,[C:1](#[C:2][C@:3]1([H:9])[N:4]([H:10])[C@@:5]1([C:6]#[C:7][H:12])[H:11])[H:8],[C:1]1([H:8])=[C:2]([H:9])[C:3]12[N:4]([H:10])[C@:5]2([C:6]#[C:7][H:12])[H:11],"InChI=1S/C6H5N/c1-3-5-6(4-2)7-5/h1-2,5-7H/t5-,6+","InChI=1S/C6H5N/c1-2-5-6(7-5)3-4-6/h1,3-5,7H/t5-/m0/s1",77.20945,19.65754,
15061,[C:1](#[C:2][C@:3]1([H:9])[N:4]([H:10])[C@@:5]1([C:6]#[C:7][H:12])[H:11])[H:8],[C:1]1([H:8])=[C:2]2[C@:3]1([H:9])[N:4]([H:10])[C:5]([H:11])=[C:6]=[C:7]2[H:12],"InChI=1S/C6H5N/c1-3-5-6(4-2)7-5/h1-2,5-7H/t5-,6+","InChI=1S/C6H5N/c1-2-5-4-6(5)7-3-1/h2-4,6-7H/t6-/m1/s1",46.60196,16.556379999999997,
15062,[C:1](#[C:2][C@:3]1([H:9])[N:4]([H:10])[C@@:5]1([C:6]#[C:7][H:12])[H:11])[H:8],[C:1]1([H:8])=[C:2]2[C@@:3]([H:9])([N:4]1[H:10])[C:5]([H:11])=[C:6]=[C:7]2[H:12],"InChI=1S/C6H5N/c1-3-5-6(4-2)7-5/h1-2,5-7H/t5-,6+","InChI=1S/C6H5N/c1-2-5-4-7-6(5)3-1/h2-4,6-7H/t6-/m0/s1",86.64751,26.665020000000002,
15063,[C:1](#[C:2][C@:3]1([H:9])[N:4]([H:10])[C@@:5]1([C:6]#[C:7][H:12])[H:11])[H:8],[C+:1]1=[C:2]([H:8])[C@@:3]2([H:9])[N:4]([H:10])[C@@:5]2([H:11])[C-:6]=[C:7]1[H:12],"InChI=1S/C6H5N/c1-3-5-6(4-2)7-5/h1-2,5-7H/t5-,6+","InChI=1S/C6H5N/c1-2-4-6-5(3-1)7-6/h1,4-7H/t5-,6+/m0/s1",44.62516,18.407120000000003,
15064,[C:1](#[C:2][C@:3]1([H:9])[N:4]([H:10])[C@@:5]1([C:6]#[C:7][H:12])[H:11])[H:8],[C:1](#[C:2][C:5]([N:4]([C:3][H:9])[H:10])([C:6]#[C:7][H:12])[H:11])[H:8],"InChI=1S/C6H5N/c1-3-5-6(4-2)7-5/h1-2,5-7H/t5-,6+","InChI=1S/C6H5N/c1-4-6(5-2)7-3/h1-3,6-7H",79.60816,39.81173,
15065,[C:1](#[C:2][C@:3]1([H:9])[N:4]([H:10])[C@@:5]1([C:6]#[C:7][H:12])[H:11])[H:8],[C:1](#[C:2][C@@:3]1([H:9])[N:4]([H:10])[C:5]1=[C:6]=[C:7]([H:11])[H:12])[H:8],"InChI=1S/C6H5N/c1-3-5-6(4-2)7-5/h1-2,5-7H/t5-,6+","InChI=1S/C6H5N/c1-3-5-6(4-2)7-5/h1,5,7H,2H2/t5-/m1/s1",76.74028,1.19516,
15066,[C:1](#[C:2][C@:3]1([H:9])[N:4]([H:10])[C@@:5]1([C:6]#[C:7][H:12])[H:11])[H:8],[C:1](=[C:2]=[C:3](/[N+:4](=[C:5](/[C:6]#[C-:7])[H:11])[H:10])[H:9])([H:8])[H:12],"InChI=1S/C6H5N/c1-3-5-6(4-2)7-5/h1-2,5-7H/t5-,6+","InChI=1S/C6H4N/c1-3-5-7-6-4-2/h5-6H,1H2/q-1/p+1/b7-6+",51.53218,13.197320000000001,
15067,[C:1]([C:2]([C:3]([C@@:4]1([H:15])[C:5]([H:16])([H:17])[C@:6]1([O:7][H:19])[H:18])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([C:4]([C:5]([C:6][O:7][H:19])([H:16])[H:17])([H:15])[H:18])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-2-3-5-4-6(5)7/h5-7H,2-4H2,1H3/t5-,6+/m0/s1","InChI=1S/C6H12O/c1-2-3-4-5-6-7/h7H,2-5H2,1H3",50.003029999999995,38.5137,
15068,[C:1]([C:2]([C:3]([C@@:4]1([H:15])[C:5]([H:16])([H:17])[C@:6]1([O:7][H:19])[H:18])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([C:4](/[C:5](=[C:6](/[O:7][H:19])[H:18])[H:16])([H:15])[H:17])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-2-3-5-4-6(5)7/h5-7H,2-4H2,1H3/t5-,6+/m0/s1","InChI=1S/C6H12O/c1-2-3-4-5-6-7/h5-7H,2-4H2,1H3/b6-5+",66.91,-9.6203,
15069,[C:1]([C:2]([C:3]([C@@:4]1([H:15])[C:5]([H:16])([H:17])[C@:6]1([O:7][H:19])[H:18])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([H:11])([H:12])[H:19])([H:8])([H:9])[H:10].[C:3](=[C:4]([C:5]([C:6](=[O:7])[H:18])([H:16])[H:17])[H:15])([H:13])[H:14],"InChI=1S/C6H12O/c1-2-3-5-4-6(5)7/h5-7H,2-4H2,1H3/t5-,6+/m0/s1","InChI=1S/C4H6O.C2H6/c1-2-3-4-5;1-2/h2,4H,1,3H2;1-2H3",54.64649,3.4332800000000003,
15070,[C:1]([C:2]([C:3]([C@@:4]1([H:15])[C:5]([H:16])([H:17])[C@:6]1([O:7][H:19])[H:18])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:3]1([H:13])[C@@:4]2([H:15])[C:5]([H:16])([H:17])[C@@:6]12[H:18])([H:11])[H:12])([H:8])([H:9])[H:10].[O:7]([H:14])[H:19],"InChI=1S/C6H12O/c1-2-3-5-4-6(5)7/h5-7H,2-4H2,1H3/t5-,6+/m0/s1","InChI=1S/C6H10.H2O/c1-2-4-5-3-6(4)5;/h4-6H,2-3H2,1H3;1H2/t4-,5+,6-;",92.58502,28.47938,
15071,[C:1]([C:2]([C:3]([C@@:4]1([H:15])[C:5]([H:16])([H:17])[C@:6]1([O:7][H:19])[H:18])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([C:4]1=[C:6]([O:7][H:19])[C:5]1([H:16])[H:17])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10].[H:15][H:18],"InChI=1S/C6H12O/c1-2-3-5-4-6(5)7/h5-7H,2-4H2,1H3/t5-,6+/m0/s1","InChI=1S/C6H10O.H2/c1-2-3-5-4-6(5)7;/h7H,2-4H2,1H3;1H",113.27548,45.10044,
15072,[C:1]([C:2]([C:3]([C@@:4]1([H:15])[C:5]([H:16])([H:17])[C@:6]1([O:7][H:19])[H:18])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([C@@:4]1([H:15])[C:5]([H:16])([H:17])[C:6]1=[O:7])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10].[H:18][H:19],"InChI=1S/C6H12O/c1-2-3-5-4-6(5)7/h5-7H,2-4H2,1H3/t5-,6+/m0/s1","InChI=1S/C6H10O.H2/c1-2-3-5-4-6(5)7;/h5H,2-4H2,1H3;1H/t5-;/m0./s1",84.32087,27.4621,
15073,[C:1]([C:2]([C:3]([C@@:4]1([H:15])[C:5]([H:16])([H:17])[C@:6]1([O:7][H:19])[H:18])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([H:11])([H:12])[H:14])([H:8])([H:9])[H:10].[C:3]([C@@:4]1([H:15])[C:5]([H:16])([H:17])[C@:6]1([O:7][H:19])[H:18])[H:13],"InChI=1S/C6H12O/c1-2-3-5-4-6(5)7/h5-7H,2-4H2,1H3/t5-,6+/m0/s1","InChI=1S/C4H6O.C2H6/c1-3-2-4(3)5;1-2/h1,3-5H,2H2;1-2H3/t3-,4+;/m0./s1",81.87243000000001,90.79836,
15074,[C:1]([C:2]([C:3]([C@@:4]1([H:15])[C:5]([H:16])([H:17])[C@:6]1([O:7][H:19])[H:18])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([C:4]1([H:15])[C:5]([H:17])=[C:6]1[H:18])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10].[O:7]([H:16])[H:19],"InChI=1S/C6H12O/c1-2-3-5-4-6(5)7/h5-7H,2-4H2,1H3/t5-,6+/m0/s1","InChI=1S/C6H10.H2O/c1-2-3-6-4-5-6;/h4-6H,2-3H2,1H3;1H2",72.16225,36.41883,
15075,[C:1]([C:2]([C:3]([C@@:4]1([H:15])[C:5]([H:16])([H:17])[C@:6]1([O:7][H:19])[H:18])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([C:4]([C@@:6]([C:5][H:16])([O:7][H:19])[H:18])([H:15])[H:17])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-2-3-5-4-6(5)7/h5-7H,2-4H2,1H3/t5-,6+/m0/s1","InChI=1S/C6H12O/c1-3-4-5-6(2)7/h2,6-7H,3-5H2,1H3/t6-/m1/s1",66.91413,72.81022,
15076,[C:1]([C:2]([C:3]([C@@:4]1([H:15])[C:5]([H:16])([H:17])[C@:6]1([O:7][H:19])[H:18])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([O:7][H:19])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10].[C:4]1([H:15])=[C:6]([H:18])[C:5]1([H:16])[H:17],"InChI=1S/C6H12O/c1-2-3-5-4-6(5)7/h5-7H,2-4H2,1H3/t5-,6+/m0/s1","InChI=1S/C3H8O.C3H4/c1-2-3-4;1-2-3-1/h4H,2-3H2,1H3;1-2H,3H2",100.32124,47.55743,
15077,[C:1]([C:2]([C:3]([C@@:4]1([H:15])[C:5]([H:16])([H:17])[C@:6]1([O:7][H:19])[H:18])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:4](=[C:3]([H:13])[H:14])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10].[C:5](=[C:6]([O:7][H:19])[H:18])([H:16])[H:17],"InChI=1S/C6H12O/c1-2-3-5-4-6(5)7/h5-7H,2-4H2,1H3/t5-,6+/m0/s1","InChI=1S/C4H8.C2H4O/c1-3-4-2;1-2-3/h3H,1,4H2,2H3;2-3H,1H2",98.21748000000001,11.81294,
15078,[C:1]([C:2]([C:3]([C@@:4]1([H:15])[C:5]([H:16])([H:17])[C@:6]1([O:7][H:19])[H:18])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([C:4]1=[C:5]([H:16])[C@:6]1([O:7][H:19])[H:18])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10].[H:15][H:17],"InChI=1S/C6H12O/c1-2-3-5-4-6(5)7/h5-7H,2-4H2,1H3/t5-,6+/m0/s1","InChI=1S/C6H10O.H2/c1-2-3-5-4-6(5)7;/h4,6-7H,2-3H2,1H3;1H/t6-;/m1./s1",114.09561000000001,46.27543,
15079,[C:1]([C:2]([C:3]([C@@:4]1([H:15])[C:5]([H:16])([H:17])[C@:6]1([O:7][H:19])[H:18])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:6]([C:4]1([H:15])[C:3]([H:13])([H:14])[C:5]1([H:16])[H:17])([O:7][H:19])[H:18])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-2-3-5-4-6(5)7/h5-7H,2-4H2,1H3/t5-,6+/m0/s1","InChI=1S/C6H12O/c1-2-6(7)5-3-4-5/h5-7H,2-4H2,1H3/t6-/m0/s1",102.1143,-0.7883,
15080,[C:1]([C:2]([C:3]([C@@:4]1([H:15])[C:5]([H:16])([H:17])[C@:6]1([O:7][H:19])[H:18])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3](/[C:4]([C:5]([H:15])([H:16])[H:17])=[C:6](\[O:7][H:19])[H:18])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-2-3-5-4-6(5)7/h5-7H,2-4H2,1H3/t5-,6+/m0/s1","InChI=1S/C6H12O/c1-3-4-6(2)5-7/h5,7H,3-4H2,1-2H3/b6-5-",67.16356999999999,-14.67326,
15081,[C:1]([C:2]([C:3]([C@@:4]1([H:15])[C:5]([H:16])([H:17])[C@:6]1([O:7][H:19])[H:18])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]([H:13])[H:14])[H:11])([H:8])([H:9])[H:10].[C:4](=[C:5]([H:16])[H:17])([C:6]([O:7][H:19])([H:12])[H:18])[H:15],"InChI=1S/C6H12O/c1-2-3-5-4-6(5)7/h5-7H,2-4H2,1H3/t5-,6+/m0/s1","InChI=1S/C3H6O.C3H6/c1-2-3-4;1-3-2/h2,4H,1,3H2;3H,1H2,2H3",64.69363,15.3843,
15082,[C:1]([C:2]([C:3]([C@@:4]1([H:15])[C:5]([H:16])([H:17])[C@:6]1([O:7][H:19])[H:18])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]([H:13])[H:14])[H:11])([H:8])([H:9])[H:10].[C:4]1([H:15])=[C:5]([H:17])[C:6]1([O:7][H:19])[H:18].[H:12][H:16],"InChI=1S/C6H12O/c1-2-3-5-4-6(5)7/h5-7H,2-4H2,1H3/t5-,6+/m0/s1","InChI=1S/C3H4O.C3H6.H2/c4-3-1-2-3;1-3-2;/h1-4H;3H,1H2,2H3;1H",89.69554000000001,70.14616,
15083,[C:1]([C:2]([C:3]([C@@:4]1([H:15])[C:5]([H:16])([H:17])[C@:6]1([O:7][H:19])[H:18])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([C:4]([C:5]([C:6](=[O:7])[H:18])([H:16])[H:17])([H:14])[H:15])([H:13])[H:19])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-2-3-5-4-6(5)7/h5-7H,2-4H2,1H3/t5-,6+/m0/s1","InChI=1S/C6H12O/c1-2-3-4-5-6-7/h6H,2-5H2,1H3",71.05135,-16.7534,
15084,[C:1]([C:2]([C:3]([C@@:4]1([H:15])[C:5]([H:16])([H:17])[C@:6]1([O:7][H:19])[H:18])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C@:2]1([H:11])[C:3]([H:13])([H:14])[C@:4]1([C:5]([C:6]([O:7][H:19])([H:12])[H:18])([H:16])[H:17])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-2-3-5-4-6(5)7/h5-7H,2-4H2,1H3/t5-,6+/m0/s1","InChI=1S/C6H12O/c1-5-4-6(5)2-3-7/h5-7H,2-4H2,1H3/t5-,6-/m1/s1",77.35262,2.65993,
15085,[C:1]([C:2]([C:3]([C@@:4]1([H:15])[C:5]([H:16])([H:17])[C@:6]1([O:7][H:19])[H:18])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([C@@:6]([C:5]([C:4][H:15])([H:16])[H:17])([O:7][H:19])[H:18])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-2-3-5-4-6(5)7/h5-7H,2-4H2,1H3/t5-,6+/m0/s1","InChI=1S/C6H12O/c1-3-5-6(7)4-2/h2,6-7H,3-5H2,1H3/t6-/m1/s1",96.73628000000001,75.51631,
15086,[C:1]([C:2]([C:3]([C@@:4]1([H:15])[C:5]([H:16])([H:17])[C@:6]1([O:7][H:19])[H:18])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C-:2]([C:3]([C+:4]1[C:5]([H:16])([H:17])[C@:6]1([O:7][H:19])[H:18])([H:13])[H:14])([H:11])[H:12].[C:1]([H:8])([H:9])([H:10])[H:15],"InChI=1S/C6H12O/c1-2-3-5-4-6(5)7/h5-7H,2-4H2,1H3/t5-,6+/m0/s1","InChI=1S/C5H8O.CH4/c1-2-4-3-5(4)6;/h5-6H,1-3H2;1H4/t5-;/m1./s1",98.23289,100.50461,
15087,[C:1]([C:2]([C:3]([C@@:4]1([H:15])[C:5]([H:16])([H:17])[C@:6]1([O:7][H:19])[H:18])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([C:4][C:5]([C:6]([O:7][H:19])([H:15])[H:18])([H:16])[H:17])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-2-3-5-4-6(5)7/h5-7H,2-4H2,1H3/t5-,6+/m0/s1","InChI=1S/C6H12O/c1-2-3-4-5-6-7/h7H,2-3,5-6H2,1H3",67.00341999999999,68.7335,
15088,[C:1]([N:2]([C:3](=[O:4])[N:5]([C:6]([H:12])([H:13])[H:14])[C:7]([H:15])([H:16])[H:17])[H:11])([H:8])([H:9])[H:10],[C:1]([N:2]=[C:3]=[O:4])([H:8])([H:9])[H:10].[N:5]([C:6]([H:12])([H:13])[H:14])([C:7]([H:15])([H:16])[H:17])[H:11],"InChI=1S/C4H10N2O/c1-5-4(7)6(2)3/h1-3H3,(H,5,7)","InChI=1S/C2H3NO.C2H7N/c1-3-2-4;1-3-2/h1H3;3H,1-2H3",35.13027,18.33809,
15089,[C:1]([N:2]([C:3](=[O:4])[N:5]([C:6]([H:12])([H:13])[H:14])[C:7]([H:15])([H:16])[H:17])[H:11])([H:8])([H:9])[H:10],[C:1](/[N:2]=[C:3](/[O:4][H:11])[N:5]([C:6]([H:12])([H:13])[H:14])[C:7]([H:15])([H:16])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C4H10N2O/c1-5-4(7)6(2)3/h1-3H3,(H,5,7)","InChI=1S/C4H10N2O/c1-5-4(7)6(2)3/h1-3H3,(H,5,7)",41.16045,15.937129999999998,ketoenol
15090,[C:1]([N:2]([C:3](=[O:4])[N:5]([C:6]([H:12])([H:13])[H:14])[C:7]([H:15])([H:16])[H:17])[H:11])([H:8])([H:9])[H:10],[C:1]([O:4]/[C:3](=[N:2]/[H:11])[N:5]([C:6]([H:12])([H:13])[H:14])[C:7]([H:15])([H:16])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C4H10N2O/c1-5-4(7)6(2)3/h1-3H3,(H,5,7)","InChI=1S/C4H10N2O/c1-6(2)4(5)7-3/h5H,1-3H3/b5-4+",66.53625,18.5784,ketoenol
15091,[C:1]([N:2]([C:3](=[O:4])[N:5]([C:6]([H:12])([H:13])[H:14])[C:7]([H:15])([H:16])[H:17])[H:11])([H:8])([H:9])[H:10],[C:1]([N:2]([C:3](=[O:4])[H:17])[H:11])([H:8])([H:9])[H:10].[N:5]([C:6]([H:12])([H:13])[H:14])=[C:7]([H:15])[H:16],"InChI=1S/C4H10N2O/c1-5-4(7)6(2)3/h1-3H3,(H,5,7)","InChI=1S/C2H5NO.C2H5N/c1-3-2-4;1-3-2/h2H,1H3,(H,3,4);1H2,2H3",88.39788,24.35408,
15092,[C:1]([N:2]([C:3](=[O:4])[N:5]([C:6]([H:12])([H:13])[H:14])[C:7]([H:15])([H:16])[H:17])[H:11])([H:8])([H:9])[H:10],[C:1](=[N:2][H:11])([H:9])[H:10].[C:3](=[O:4])([N:5]([C:6]([H:12])([H:13])[H:14])[C:7]([H:15])([H:16])[H:17])[H:8],"InChI=1S/C4H10N2O/c1-5-4(7)6(2)3/h1-3H3,(H,5,7)","InChI=1S/C3H7NO.CH3N/c1-4(2)3-5;1-2/h3H,1-2H3;2H,1H2",91.44729,25.15334,
15093,[C:1]([N:2]([C:3](=[O:4])[N:5]([C:6]([H:12])([H:13])[H:14])[C:7]([H:15])([H:16])[H:17])[H:11])([H:8])([H:9])[H:10],[C:1]([N:2](/[C:3]([O:4][C:6]([H:12])([H:13])[H:14])=[N:5]\[C:7]([H:15])([H:16])[H:17])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H10N2O/c1-5-4(7)6(2)3/h1-3H3,(H,5,7)","InChI=1S/C4H10N2O/c1-5-4(6-2)7-3/h1-3H3,(H,5,6)",64.03206999999999,18.61223,ketoenol
15094,[C:1]([N:2]([C:3](=[O:4])[N:5]([C:6]([H:12])([H:13])[H:14])[C:7]([H:15])([H:16])[H:17])[H:11])([H:8])([H:9])[H:10],[C:1]([N:2]([C:3](=[O:4])[N+:5]([C-:6]([H:13])[H:14])=[C:7]([H:15])[H:16])[H:11])([H:8])([H:9])[H:10].[H:12][H:17],"InChI=1S/C4H10N2O/c1-5-4(7)6(2)3/h1-3H3,(H,5,7)","InChI=1S/C4H8N2O.H2/c1-5-4(7)6(2)3;/h2-3H2,1H3,(H,5,7);1H",65.12293000000001,61.90654,
15095,[C:1]([N:2]([C:3](=[O:4])[N:5]([C:6]([H:12])([H:13])[H:14])[C:7]([H:15])([H:16])[H:17])[H:11])([H:8])([H:9])[H:10],[C-:1]([N+:2]([C:3](=[O:4])[N:5]([C:6]([H:12])([H:13])[H:14])[C:7]([H:15])([H:16])[H:17])([H:8])[H:11])([H:9])[H:10],"InChI=1S/C4H10N2O/c1-5-4(7)6(2)3/h1-3H3,(H,5,7)","InChI=1S/C4H10N2O/c1-5-4(7)6(2)3/h1,5H2,2-3H3",88.4886,74.4048,
15096,[C:1]([N:2]([C:3](=[O:4])[N:5]([C:6]([H:12])([H:13])[H:14])[C:7]([H:15])([H:16])[H:17])[H:11])([H:8])([H:9])[H:10],[C:1](=[N:2][C:3](=[O:4])[N:5]([C:6]([H:12])([H:13])[H:14])[C:7]([H:11])([H:15])[H:16])([H:9])[H:10].[H:8][H:17],"InChI=1S/C4H10N2O/c1-5-4(7)6(2)3/h1-3H3,(H,5,7)","InChI=1S/C4H8N2O.H2/c1-5-4(7)6(2)3;/h1H2,2-3H3;1H",83.28199000000001,28.8261,
15097,[C:1]([N:2]([C:3](=[O:4])[N:5]([C:6]([H:12])([H:13])[H:14])[C:7]([H:15])([H:16])[H:17])[H:11])([H:8])([H:9])[H:10],[C:1]([N:2]=[C:3]=[O:4])([H:8])([H:9])[H:10].[H:11][H:12].[N:5](=[C:6]([H:13])[H:14])[C:7]([H:15])([H:16])[H:17],"InChI=1S/C4H10N2O/c1-5-4(7)6(2)3/h1-3H3,(H,5,7)","InChI=1S/C2H3NO.C2H5N.H2/c1-3-2-4;1-3-2;/h1H3;1H2,2H3;1H",58.357130000000005,41.09806,
15098,[C:1]([N:2]([C:3](=[O:4])[N:5]([C:6]([H:12])([H:13])[H:14])[C:7]([H:15])([H:16])[H:17])[H:11])([H:8])([H:9])[H:10],[C:1]([N:2]([C@:3]1([C:7]([H:15])([H:16])[H:17])[O:4][N:5]1[C:6]([H:12])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H10N2O/c1-5-4(7)6(2)3/h1-3H3,(H,5,7)","InChI=1S/C4H10N2O/c1-4(5-2)6(3)7-4/h5H,1-3H3/t4-,6?/m0/s1",100.41281,64.75366,
15099,[C:1]([N:2]([C:3](=[O:4])[N:5]([C:6]([H:12])([H:13])[H:14])[C:7]([H:15])([H:16])[H:17])[H:11])([H:8])([H:9])[H:10],[C:1](/[N:2]=[C:3]1\[O:4][N:5]1[C:7]([H:15])([H:16])[H:17])([H:8])([H:9])[H:10].[C:6]([H:11])([H:12])([H:13])[H:14],"InChI=1S/C4H10N2O/c1-5-4(7)6(2)3/h1-3H3,(H,5,7)",InChI=1S/C3H6N2O.CH4/c1-4-3-5(2)6-3;/h1-2H3;1H4/b4-3-;,96.47966,76.21279,
15100,[C:1]([N:2]([C:3](=[O:4])[N:5]([C:6]([H:12])([H:13])[H:14])[C:7]([H:15])([H:16])[H:17])[H:11])([H:8])([H:9])[H:10],[C:1]([N:5]([C:6]([H:12])([H:13])[H:14])[C:7]([H:15])([H:16])[H:17])([H:8])([H:9])[H:10].[N:2](=[C:3]=[O:4])[H:11],"InChI=1S/C4H10N2O/c1-5-4(7)6(2)3/h1-3H3,(H,5,7)",InChI=1S/C3H9N.CHNO/c1-4(2)3;2-1-3/h1-3H3;2H,72.68304,15.7032,
15101,[C:1]([C:2]([C@@:3]1([H:13])[O:4][C@@:5]2([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:3]1([H:13])[O:4][C:5]([H:14])([H:17])[C:6]([H:15])([H:16])[C:7]1)([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-2-5-4-3-6(4)7-5/h4-6H,2-3H2,1H3/t4-,5+,6-/m0/s1","InChI=1S/C6H10O/c1-2-6-4-3-5-7-6/h6H,2-3,5H2,1H3/t6-/m1/s1",61.362030000000004,39.42827,
15102,[C:1]([C:2]([C@@:3]1([H:13])[O:4][C@@:5]2([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:3]1([H:13])[O:4][C@:5]([C:6][H:15])([H:14])[C:7]1([H:16])[H:17])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-2-5-4-3-6(4)7-5/h4-6H,2-3H2,1H3/t4-,5+,6-/m0/s1","InChI=1S/C6H10O/c1-3-6-4-5(2)7-6/h2,5-6H,3-4H2,1H3/t5-,6+/m0/s1",60.54713,62.75861999999999,
15103,[C:1]([C:2]([C@@:3]1([H:13])[O:4][C@@:5]2([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:7]1([H:17])[C:3]([H:13])=[O+:4][C-:5]([H:14])[C:6]1([H:15])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-2-5-4-3-6(4)7-5/h4-6H,2-3H2,1H3/t4-,5+,6-/m0/s1","InChI=1S/C6H10O/c1-2-6-3-4-7-5-6/h4-6H,2-3H2,1H3/t6-/m1/s1",72.63575,15.347829999999998,
15104,[C:1]([C:2]([C@@:3]1([H:13])[O:4][C@@:5]2([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:3]1([H:13])[O+:4]=[C-:5][C@:7]1([C:6]([H:14])([H:15])[H:16])[H:17])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-2-5-4-3-6(4)7-5/h4-6H,2-3H2,1H3/t4-,5+,6-/m0/s1","InChI=1S/C6H10O/c1-3-6-5(2)4-7-6/h5-6H,3H2,1-2H3/t5-,6-/m1/s1",47.95688,27.204340000000002,
15105,[C:1]([C:2]([C@@:3]1([H:13])[O:4][C@@:5]2([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:6]([C:7]1([H:17])[C-:3]([H:13])[O+:4]=[C:5]1[H:14])([H:15])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-2-5-4-3-6(4)7-5/h4-6H,2-3H2,1H3/t4-,5+,6-/m0/s1","InChI=1S/C6H10O/c1-2-3-6-4-7-5-6/h4-6H,2-3H2,1H3",104.19785,40.73829,
15106,[C:1]([C:2]([C@@:3]1([H:13])[O:4][C@@:5]2([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:3]1([H:13])[O+:4]=[C-:5][C:6]([H:15])([H:16])[C:7]1([H:14])[H:17])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-2-5-4-3-6(4)7-5/h4-6H,2-3H2,1H3/t4-,5+,6-/m0/s1","InChI=1S/C6H10O/c1-2-6-4-3-5-7-6/h6H,2-4H2,1H3/t6-/m1/s1",53.92995,5.85838,
15107,[C:1]([C:2]([C@@:3]1([H:13])[O:4][C@@:5]2([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2](/[C:3](=[C:7](\[C:6]([C:5](=[O:4])[H:14])([H:15])[H:16])[H:17])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-2-5-4-3-6(4)7-5/h4-6H,2-3H2,1H3/t4-,5+,6-/m0/s1","InChI=1S/C6H10O/c1-2-3-4-5-6-7/h3-4,6H,2,5H2,1H3/b4-3-",29.64135,-31.93208,
15108,[C:1]([C:2]([C@@:3]1([H:13])[O:4][C@@:5]2([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:3]1([H:13])[O:4][C@:5]([C:6]([H:15])([H:16])[H:17])([H:14])[C:7]1)([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-2-5-4-3-6(4)7-5/h4-6H,2-3H2,1H3/t4-,5+,6-/m0/s1","InChI=1S/C6H10O/c1-3-6-4-5(2)7-6/h5-6H,3H2,1-2H3/t5-,6+/m0/s1",59.66731,58.478190000000005,
15109,[C:1]([C:2]([C@@:3]1([H:13])[O:4][C@@:5]2([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:3]1([H:13])[O:4][C:5]([H:14])=[C:6]([H:15])[C:7]1([H:16])[H:17])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-2-5-4-3-6(4)7-5/h4-6H,2-3H2,1H3/t4-,5+,6-/m0/s1","InChI=1S/C6H10O/c1-2-6-4-3-5-7-6/h3,5-6H,2,4H2,1H3/t6-/m1/s1",60.54557,-33.54772,
15110,[C:1]([C:2]([C@@:3]1([H:13])[O:4][C@@:5]2([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:3](/[C@@:7]1([H:17])[C@:5]([O:4][H:12])([H:14])[C:6]1([H:15])[H:16])[H:13])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-2-5-4-3-6(4)7-5/h4-6H,2-3H2,1H3/t4-,5+,6-/m0/s1","InChI=1S/C6H10O/c1-2-3-5-4-6(5)7/h2-3,5-7H,4H2,1H3/b3-2+/t5-,6+/m1/s1",54.32938000000001,-17.84939,
15111,[C:1]([C:2]([C@@:3]1([H:13])[O:4][C@@:5]2([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3](=[O:4])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10].[C:5]1([H:14])=[C:7]([H:17])[C:6]1([H:15])[H:16],"InChI=1S/C6H10O/c1-2-5-4-3-6(4)7-5/h4-6H,2-3H2,1H3/t4-,5+,6-/m0/s1","InChI=1S/C3H6O.C3H4/c1-2-3-4;1-2-3-1/h3H,2H2,1H3;1-2H,3H2",57.60781,21.37585,2+2_cycloaddition
15112,[C:1]([C:2]([C@@:3]1([H:13])[O:4][C@@:5]2([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:3](\[O:4][C:5]1([H:14])[C:6]([H:15])=[C:7]1[H:17])[H:13])[H:11])([H:8])([H:9])[H:10].[H:12][H:16],"InChI=1S/C6H10O/c1-2-5-4-3-6(4)7-5/h4-6H,2-3H2,1H3/t4-,5+,6-/m0/s1","InChI=1S/C6H8O.H2/c1-2-5-7-6-3-4-6;/h2-6H,1H3;1H/b5-2-;",76.85788000000001,40.299440000000004,
15113,[C:1]([C:2]([C@@:3]1([H:13])[O:4][C@@:5]2([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:11])[H:12])([H:8])([H:9])[H:10],[C-:3]1=[O+:4][C@@:5]2([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17].[C:1]([C:2]([H:11])([H:12])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-2-5-4-3-6(4)7-5/h4-6H,2-3H2,1H3/t4-,5+,6-/m0/s1","InChI=1S/C4H4O.C2H6/c1-3-2-5-4(1)3;1-2/h3-4H,1H2;1-2H3/t3-,4-;/m0./s1",73.2401,65.45958,
15114,[C:1]([C:2]([C@@:3]1([H:13])[O:4][C@@:5]2([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:3]1([H:13])[O:4][C:5]([H:14])([H:15])[C@:7]1([C:6][H:16])[H:17])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-2-5-4-3-6(4)7-5/h4-6H,2-3H2,1H3/t4-,5+,6-/m0/s1","InChI=1S/C6H10O/c1-3-6-5(2)4-7-6/h2,5-6H,3-4H2,1H3/t5-,6-/m1/s1",63.85213,67.41628,
15115,[C:1]([C:2]([C@@:3]1([H:13])[O:4][C@@:5]2([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:3]([O:4][H:14])([C@@:7]1([H:17])[C:5][C:6]1([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-2-5-4-3-6(4)7-5/h4-6H,2-3H2,1H3/t4-,5+,6-/m0/s1","InChI=1S/C6H10O/c1-2-6(7)5-3-4-5/h5-7H,2-3H2,1H3/t5-,6-/m1/s1",62.32676,57.77245,
15116,[C:1]([C:2]([C@@:3]1([H:13])[O:4][C@@:5]2([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:3]1([H:13])[O:4][C@:5]1([C:6]([C:7][H:17])([H:15])[H:16])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-2-5-4-3-6(4)7-5/h4-6H,2-3H2,1H3/t4-,5+,6-/m0/s1","InChI=1S/C6H10O/c1-3-5-6(4-2)7-5/h1,5-6H,3-4H2,2H3/t5-,6+/m0/s1",67.4675,72.53520999999999,
15117,[C:1]([C:2]([C@@:3]1([H:13])[O:4][C@@:5]2([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3][C@@:7]1([H:17])[C@:5]([O:4][H:13])([H:14])[C:6]1([H:15])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-2-5-4-3-6(4)7-5/h4-6H,2-3H2,1H3/t4-,5+,6-/m0/s1","InChI=1S/C6H10O/c1-2-3-5-4-6(5)7/h5-7H,2,4H2,1H3/t5-,6+/m1/s1",60.039069999999995,53.190490000000004,
15118,[C:1]([C:2]([C@@:3]1([H:13])[O:4][C@@:5]2([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:4][C@@:5]1([H:14])[C:6]([H:15])([H:16])[C@:7]1([C:3](=[C:2]([H:11])[H:12])[H:13])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-2-5-4-3-6(4)7-5/h4-6H,2-3H2,1H3/t4-,5+,6-/m0/s1","InChI=1S/C6H10O/c1-3-5-4-6(5)7-2/h3,5-6H,1,4H2,2H3/t5-,6+/m1/s1",87.23725999999999,-2.01845,
15119,[C:1]([c:2]1[c:3]([H:11])[c:4]([N:5]([H:12])[H:13])[c:6]([H:14])[n:7]1[H:15])([H:8])([H:9])[H:10],[C:1]([C:2]1=[N:7][C:6]([H:14])([H:15])[C:4]([N:5]([H:12])[H:13])=[C:3]1[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-4-2-5(6)3-7-4/h2-3,7H,6H2,1H3","InChI=1S/C5H8N2/c1-4-2-5(6)3-7-4/h2H,3,6H2,1H3",39.68189,3.9224099999999997,
15120,[C:1]([c:2]1[c:3]([H:11])[c:4]([N:5]([H:12])[H:13])[c:6]([H:14])[n:7]1[H:15])([H:8])([H:9])[H:10],[C:1](=[C:2]1[C:3]([H:11])=[C:4]([N:5]([H:12])[H:13])[C:6]([H:10])([H:14])[N:7]1[H:15])([H:8])[H:9],"InChI=1S/C5H8N2/c1-4-2-5(6)3-7-4/h2-3,7H,6H2,1H3","InChI=1S/C5H8N2/c1-4-2-5(6)3-7-4/h2,7H,1,3,6H2",78.63042,13.3188,Intra_ene_reaction
15121,[C:1]([c:2]1[c:3]([H:11])[c:4]([N:5]([H:12])[H:13])[c:6]([H:14])[n:7]1[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:15])[C:3]([H:11])=[C:4]([N:5]([H:12])[H:13])[C:6]([H:14])=[N:7]1)([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-4-2-5(6)3-7-4/h2-3,7H,6H2,1H3","InChI=1S/C5H8N2/c1-4-2-5(6)3-7-4/h2-4H,6H2,1H3/t4-/m0/s1",39.59005,10.796439999999999,
15122,[C:1]([c:2]1[c:3]([H:11])[c:4]([N:5]([H:12])[H:13])[c:6]([H:14])[n:7]1[H:15])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:15].[C:2]1=[C:3]([H:11])[C:4]([N:5]([H:12])[H:13])=[C:6]([H:14])[N:7]=1,"InChI=1S/C5H8N2/c1-4-2-5(6)3-7-4/h2-3,7H,6H2,1H3","InChI=1S/C4H4N2.CH4/c5-4-1-2-6-3-4;/h1,3H,5H2;1H4",87.2731,78.96466,
15123,[C:1]([c:2]1[c:3]([H:11])[c:4]([N:5]([H:12])[H:13])[c:6]([H:14])[n:7]1[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C-:3]=[C:4]([N:5]([H:12])[H:13])[C+:6]([H:14])[N:7]1[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-4-2-5(6)3-7-4/h2-3,7H,6H2,1H3","InChI=1S/C5H8N2/c1-4-2-5(6)3-7-4/h3-4,7H,6H2,1H3/t4-/m0/s1",68.31036,66.00643000000001,Singlet_Carbene_Intra_Disproportionation
15124,[C:1]([c:2]1[c:3]([H:11])[c:4]([N:5]([H:12])[H:13])[c:6]([H:14])[n:7]1[H:15])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:3]([H:11])[C@:4]1([N:5]([H:12])[H:13])/[C:6](=[N:7]/[H:15])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-4-2-5(6)3-7-4/h2-3,7H,6H2,1H3","InChI=1S/C5H8N2/c1-4-2-5(4,7)3-6/h2-3,6H,7H2,1H3/b6-3+/t5-/m0/s1",83.61610999999999,56.65424,
15125,[C:1]([c:2]1[c:3]([H:11])[c:4]([N:5]([H:12])[H:13])[c:6]([H:14])[n:7]1[H:15])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:3]([H:11])/[C:4](=[N:5]\[H:13])[C:6]([H:12])([H:14])[N:7]1[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-4-2-5(6)3-7-4/h2-3,7H,6H2,1H3","InChI=1S/C5H8N2/c1-4-2-5(6)3-7-4/h2,6-7H,3H2,1H3/b6-5+",63.68181,6.2438199999999995,
15126,[C:1]([c:2]1[c:3]([H:11])[c:4]([N:5]([H:12])[H:13])[c:6]([H:14])[n:7]1[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:3]1([H:11])[C:2][N:7]([H:15])[C:6]([H:14])=[C:4]1[N:5]([H:12])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-4-2-5(6)3-7-4/h2-3,7H,6H2,1H3","InChI=1S/C5H8N2/c1-4-2-7-3-5(4)6/h3-4,7H,6H2,1H3/t4-/m0/s1",77.69246,54.61495,
15127,[C:1]([c:2]1[c:3]([H:11])[c:4]([N:5]([H:12])[H:13])[c:6]([H:14])[n:7]1[H:15])([H:8])([H:9])[H:10],[C:1]([C:2]/[C:3](=[C:4]([N:5]([H:12])[H:13])\[C:6](=[N:7]\[H:15])[H:14])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-4-2-5(6)3-7-4/h2-3,7H,6H2,1H3","InChI=1S/C5H8N2/c1-2-3-5(7)4-6/h3-4,6H,7H2,1H3/b5-3+,6-4+",81.02745,70.4582,
15128,[C:1]([c:2]1[c:3]([H:11])[c:4]([N:5]([H:12])[H:13])[c:6]([H:14])[n:7]1[H:15])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]=[C:4]([N:5]([H:12])[H:13])/[C:6](=[N:7]/[H:15])[H:14])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-4-2-5(6)3-7-4/h2-3,7H,6H2,1H3","InChI=1S/C5H8N2/c1-2-3-5(7)4-6/h2,4,6H,7H2,1H3/b6-4+",68.3139,38.61558,
15129,[C:1]([c:2]1[c:3]([H:11])[c:4]([N:5]([H:12])[H:13])[c:6]([H:14])[n:7]1[H:15])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:3]=[C:4]([N:5]([H:12])[H:13])[C:6]([H:11])([H:14])[N:7]1[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-4-2-5(6)3-7-4/h2-3,7H,6H2,1H3","InChI=1S/C5H8N2/c1-4-2-5(6)3-7-4/h7H,3,6H2,1H3",84.89860999999999,48.90606,
15130,[C:1]([c:2]1[c:3]([H:11])[c:4]([N:5]([H:12])[H:13])[c:6]([H:14])[n:7]1[H:15])([H:8])([H:9])[H:10],[C:1]([C:2]1[C@@:3]([C-:4][N:5]([H:12])[H:13])([H:11])[C+:6]([H:14])[N:7]1[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-4-2-5(6)3-7-4/h2-3,7H,6H2,1H3","InChI=1S/C5H8N2/c1-4-5(2-6)3-7-4/h3,5,7H,6H2,1H3/t5-/m1/s1",128.92973999999998,117.67263999999999,
15131,[C:1]([c:2]1[c:3]([H:11])[c:4]([N:5]([H:12])[H:13])[c:6]([H:14])[n:7]1[H:15])([H:8])([H:9])[H:10],[C+:1]([c:2]1[c:3]([H:11])[c:4]([N:5]([H:12])[H:13])[c-:6][n:7]1[H:15])([H:8])[H:9].[H:10][H:14],"InChI=1S/C5H8N2/c1-4-2-5(6)3-7-4/h2-3,7H,6H2,1H3","InChI=1S/C5H6N2.H2/c1-4-2-5(6)3-7-4;/h2,7H,1,6H2;1H",106.15178999999999,69.24969,
15132,[C:1]([c:2]1[c:3]([H:11])[c:4]([N:5]([H:12])[H:13])[c:6]([H:14])[n:7]1[H:15])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]([H:11])[H:13])/[N+:7](=[C:6](/[C-:4]=[N:5][H:12])[H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-4-2-5(6)3-7-4/h2-3,7H,6H2,1H3","InChI=1S/C5H7N2/c1-5(2)7-4-3-6/h4,6H,1H2,2H3/q-1/p+1/b7-4+",130.65115,41.87925,
15133,[C:1]([c:2]1[c:3]([H:11])[c:4]([N:5]([H:12])[H:13])[c:6]([H:14])[n:7]1[H:15])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:3]([H:11])[C@@:4]([N:5]([H:12])[H:13])([H:14])[C:6][N:7]1[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-4-2-5(6)3-7-4/h2-3,7H,6H2,1H3","InChI=1S/C5H8N2/c1-4-2-5(6)3-7-4/h2,5,7H,6H2,1H3/t5-/m0/s1",59.51473000000001,60.9657,Singlet_Carbene_Intra_Disproportionation
15134,[C:1]([c:2]1[c:3]([H:11])[c:4]([N:5]([H:12])[H:13])[c:6]([H:14])[n:7]1[H:15])([H:8])([H:9])[H:10],[C:1]([C@:6]1([H:14])[C+:4]([N:5]([H:12])[H:13])[C:3]([H:11])=[C-:2][N:7]1[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-4-2-5(6)3-7-4/h2-3,7H,6H2,1H3","InChI=1S/C5H8N2/c1-4-5(6)2-3-7-4/h2,4,7H,6H2,1H3/t4-/m1/s1",135.76916,48.07461,
15135,[C:1]([c:2]1[c:3]([H:11])[c:4]([N:5]([H:12])[H:13])[c:6]([H:14])[n:7]1[H:15])([H:8])([H:9])[H:10],[C:1]([C+:2]1[C:3]([H:11])([H:12])[C:4]([N-:5][H:13])=[C:6]([H:14])[N:7]1[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-4-2-5(6)3-7-4/h2-3,7H,6H2,1H3","InChI=1S/C5H8N2/c1-4-2-5(6)3-7-4/h3,6-7H,2H2,1H3",73.69397,33.98584,
15136,[C:1]([c:2]1[c:3]([H:11])[c:4]([N:5]([H:12])[H:13])[c:6]([H:14])[n:7]1[H:15])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:3]=[C:4]([N+:5]([H:11])([H:12])[H:13])[C-:6]([H:14])[N:7]1[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-4-2-5(6)3-7-4/h2-3,7H,6H2,1H3","InChI=1S/C5H7N2/c1-4-2-5(6)3-7-4/h3,7H,6H2,1H3/q-1/p+1",76.97856999999999,77.43633,
15137,[C:1]([c:2]1[c:3]([H:11])[c:4]([N:5]([H:12])[H:13])[c:6]([H:14])[n:7]1[H:15])([H:8])([H:9])[H:10],[C:1](/[C:2]([C:3](=[C:4]=[C:6]([N:5]([H:12])[H:13])[H:14])[H:11])=[N:7]\[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-4-2-5(6)3-7-4/h2-3,7H,6H2,1H3","InChI=1S/C5H8N2/c1-5(7)3-2-4-6/h3-4,7H,6H2,1H3/b7-5+",84.76014,36.38917,
15138,[C:1]([c:2]1[c:3]([H:11])[c:4]([N:5]([H:12])[H:13])[c:6]([H:14])[n:7]1[H:15])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:3]([H:11])[C:4]([N:5]([H:12])[H:13])=[C-:6][N+:7]1([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-4-2-5(6)3-7-4/h2-3,7H,6H2,1H3","InChI=1S/C5H8N2/c1-4-2-5(6)3-7-4/h2H,6-7H2,1H3",81.8003,75.18191999999999,
15139,[C:1]([c:2]1[c:3]([H:11])[c:4]([N:5]([H:12])[H:13])[c:6]([H:14])[n:7]1[H:15])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3](=[C:4]1[N+:5]([H:12])([H:13])[C-:6]1[H:14])[H:11])=[N:7][H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-4-2-5(6)3-7-4/h2-3,7H,6H2,1H3","InChI=1S/C5H8N2/c1-4(6)2-5-3-7-5/h2-3,6H,7H2,1H3",84.84340999999999,84.57916999999999,
15140,[C:1]([c:2]1[c:3]([H:11])[c:4]([N:5]([H:12])[H:13])[c:6]([H:14])[n:7]1[H:15])([H:8])([H:9])[H:10],[C:1](/[C:2]([C@:3]1([H:11])[C:4]([N:5]([H:12])[H:13])=[C:6]1[H:14])=[N:7]\[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-4-2-5(6)3-7-4/h2-3,7H,6H2,1H3","InChI=1S/C5H8N2/c1-3(6)4-2-5(4)7/h2,4,6H,7H2,1H3/b6-3+/t4-/m1/s1",82.65363,51.80782,
15141,[C:1]([c:2]1[c:3]([H:11])[c:4]([N:5]([H:12])[H:13])[c:6]([H:14])[n:7]1[H:15])([H:8])([H:9])[H:10],[C:1]([N+:7]1([H:15])[C-:2]=[C:3]([H:11])[C:4]([N:5]([H:12])[H:13])=[C:6]1[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-4-2-5(6)3-7-4/h2-3,7H,6H2,1H3","InChI=1S/C5H8N2/c1-7-3-2-5(6)4-7/h2,4,7H,6H2,1H3",96.04231,77.50571,
15142,[C:1]([c:2]1[c:3]([H:11])[c:4]([N:5]([H:12])[H:13])[c:6]([H:14])[n:7]1[H:15])([H:8])([H:9])[H:10],[C:1](=[C:2]1[C:3]([H:10])([H:11])[C:4]([N:5]([H:12])[H:13])=[C:6]([H:14])[N:7]1[H:15])([H:8])[H:9],"InChI=1S/C5H8N2/c1-4-2-5(6)3-7-4/h2-3,7H,6H2,1H3","InChI=1S/C5H8N2/c1-4-2-5(6)3-7-4/h3,7H,1-2,6H2",84.9165,19.87642,
15143,[C:1]([c:2]1[c:3]([H:11])[c:4]([N:5]([H:12])[H:13])[c:6]([H:14])[n:7]1[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([N:5]([H:12])[H:13])[C:3]([H:11])=[C:4]=[C:6]([H:14])[N:7]1[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-4-2-5(6)3-7-4/h2-3,7H,6H2,1H3","InChI=1S/C5H8N2/c1-5(6)3-2-4-7-5/h3-4,7H,6H2,1H3/t5-/m0/s1",124.28438999999999,70.12328000000001,
15144,[C:1]([c:2]1[c:3]([H:11])[c:4]([N:5]([H:12])[H:13])[c:6]([H:14])[n:7]1[H:15])([H:8])([H:9])[H:10],[C:1]([C:2]1=[N:7][C:6]([H:14])=[C:4]([N:5]([H:12])[H:13])[C:3]1([H:11])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-4-2-5(6)3-7-4/h2-3,7H,6H2,1H3","InChI=1S/C5H8N2/c1-4-2-5(6)3-7-4/h3H,2,6H2,1H3",39.808409999999995,9.4979,
15145,[C:1]([c:2]1[c:3]([H:11])[c:4]([N:5]([H:12])[H:13])[c:6]([H:14])[n:7]1[H:15])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:3]([H:11])/[C:4](=[N:5]/[H:12])[C:6]([H:14])=[N:7]1)([H:8])([H:9])[H:10].[H:13][H:15],"InChI=1S/C5H8N2/c1-4-2-5(6)3-7-4/h2-3,7H,6H2,1H3","InChI=1S/C5H6N2.H2/c1-4-2-5(6)3-7-4;/h2-3,6H,1H3;1H/b6-5-;",92.89533,38.30922,
15146,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]1[C:5]([C:6]([O:7][H:18])([H:16])[H:17])([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C-:3]([H:13])[N+:4]1([C:5]([C:6]([O:7][H:18])([H:16])[H:17])([H:14])[H:15])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H11NO/c1-5-4-6(5)2-3-7/h5,7H,2-4H2,1H3/t5-,6?/m0/s1","InChI=1S/C5H11NO/c1-5-4-6(5)2-3-7/h4-7H,2-3H2,1H3/t5-/m0/s1",64.10533000000001,55.715830000000004,
15147,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]1[C:5]([C:6]([O:7][H:18])([H:16])[H:17])([H:14])[H:15])([H:8])([H:9])[H:10],[C:1](/[C:2](=[N:4]/[C:3]([C:5]([C:6]([O:7][H:18])([H:16])[H:17])([H:14])[H:15])([H:12])[H:13])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H11NO/c1-5-4-6(5)2-3-7/h5,7H,2-4H2,1H3/t5-,6?/m0/s1","InChI=1S/C5H11NO/c1-2-6-4-3-5-7/h2,7H,3-5H2,1H3/b6-2+",84.81855,-18.35622,
15148,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]1[C:5]([C:6]([O:7][H:18])([H:16])[H:17])([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([N+:4]1([C:5]([C:6]([O:7][H:18])([H:16])[H:17])([H:14])[H:15])[C-:2]([H:11])[C:3]1([H:12])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H11NO/c1-5-4-6(5)2-3-7/h5,7H,2-4H2,1H3/t5-,6?/m0/s1","InChI=1S/C5H11NO/c1-6(2-3-6)4-5-7/h2,7H,3-5H2,1H3",103.57567,61.173559999999995,
15149,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]1[C:5]([C:6]([O:7][H:18])([H:16])[H:17])([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]1[C:5](=[C:6]([H:16])[H:17])[H:14])([H:8])([H:9])[H:10].[O:7]([H:15])[H:18],"InChI=1S/C5H11NO/c1-5-4-6(5)2-3-7/h5,7H,2-4H2,1H3/t5-,6?/m0/s1","InChI=1S/C5H9N.H2O/c1-3-6-4-5(6)2;/h3,5H,1,4H2,2H3;1H2/t5-,6?;/m0./s1",64.54293,9.69392,"1,3_Insertion_ROR"
15150,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]1[C:5]([C:6]([O:7][H:18])([H:16])[H:17])([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]1[C:5]([H:14])([H:15])[H:17])([H:8])([H:9])[H:10].[C:6]([O:7][H:18])[H:16],"InChI=1S/C5H11NO/c1-5-4-6(5)2-3-7/h5,7H,2-4H2,1H3/t5-,6?/m0/s1","InChI=1S/C4H9N.CH2O/c1-4-3-5(4)2;1-2/h4H,3H2,1-2H3;1-2H/t4-,5?;/m0./s1",74.72452,79.17043000000001,
15151,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]1[C:5]([C:6]([O:7][H:18])([H:16])[H:17])([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]([H:12])[H:13])[H:11])([H:8])([H:9])[H:10].[N:4](=[C:5](/[C:6]([O:7][H:18])([H:16])[H:17])[H:14])\[H:15],"InChI=1S/C5H11NO/c1-5-4-6(5)2-3-7/h5,7H,2-4H2,1H3/t5-,6?/m0/s1","InChI=1S/C3H6.C2H5NO/c1-3-2;3-1-2-4/h3H,1H2,2H3;1,3-4H,2H2/b;3-1+",80.45689,-1.7824799999999998,
15152,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]1[C:5]([C:6]([O:7][H:18])([H:16])[H:17])([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]([H:18])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[O:7]1)([H:8])([H:9])[H:10],"InChI=1S/C5H11NO/c1-5-4-6(5)2-3-7/h5,7H,2-4H2,1H3/t5-,6?/m0/s1","InChI=1S/C5H11NO/c1-5-4-6-2-3-7-5/h5-6H,2-4H2,1H3/t5-/m0/s1",51.341429999999995,-12.03026,
15153,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]1[C:5]([C:6]([O:7][H:18])([H:16])[H:17])([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([C:2](=[N+:4]([C-:3]([H:12])[H:13])[C:5]([C:6]([O:7][H:18])([H:16])[H:17])([H:14])[H:15])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H11NO/c1-5-4-6(5)2-3-7/h5,7H,2-4H2,1H3/t5-,6?/m0/s1","InChI=1S/C5H11NO/c1-3-6(2)4-5-7/h3,7H,2,4-5H2,1H3",37.56743,19.65158,
15154,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]1[C:5]([C:6]([O:7][H:18])([H:16])[H:17])([H:14])[H:15])([H:8])([H:9])[H:10],[C:1](=[C:2]([C:3]([N:4]([C:5]([C:6]([O:7][H:8])([H:16])[H:17])([H:14])[H:15])[H:18])([H:12])[H:13])[H:11])([H:9])[H:10],"InChI=1S/C5H11NO/c1-5-4-6(5)2-3-7/h5,7H,2-4H2,1H3/t5-,6?/m0/s1","InChI=1S/C5H11NO/c1-2-3-6-4-5-7/h2,6-7H,1,3-5H2",43.90403,-4.03955,
15155,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]1[C:5]([C:6]([O:7][H:18])([H:16])[H:17])([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([C:2]1=[N+:4]([C-:5]([C:6]([O:7][H:18])([H:16])[H:17])[H:14])[C:3]1([H:12])[H:13])([H:8])([H:9])[H:10].[H:11][H:15],"InChI=1S/C5H11NO/c1-5-4-6(5)2-3-7/h5,7H,2-4H2,1H3/t5-,6?/m0/s1","InChI=1S/C5H9NO.H2/c1-5-4-6(5)2-3-7;/h2,7H,3-4H2,1H3;1H",70.83388000000001,64.46275,
15156,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]1[C:5]([C:6]([O:7][H:18])([H:16])[H:17])([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:13])=[N+:4]1[C-:5]([C:6]([O:7][H:18])([H:16])[H:17])[H:14])([H:8])([H:9])[H:10].[H:12][H:15],"InChI=1S/C5H11NO/c1-5-4-6(5)2-3-7/h5,7H,2-4H2,1H3/t5-,6?/m0/s1","InChI=1S/C5H9NO.H2/c1-5-4-6(5)2-3-7;/h2,4-5,7H,3H2,1H3;1H/t5-;/m0./s1",72.51558,64.60876,
15157,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]1[C:5]([C:6]([O:7][H:18])([H:16])[H:17])([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]([H:12])[H:13])[H:11])([H:8])([H:9])[H:10].[N:4](=[C:5]([H:14])[H:15])[C:6]([O:7][H:18])([H:16])[H:17],"InChI=1S/C5H11NO/c1-5-4-6(5)2-3-7/h5,7H,2-4H2,1H3/t5-,6?/m0/s1","InChI=1S/C3H6.C2H5NO/c1-3-2;1-3-2-4/h3H,1H2,2H3;4H,1-2H2",80.01539,7.376180000000001,
15158,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]1[C:5]([C:6]([O:7][H:18])([H:16])[H:17])([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([C-:2]1[C:3]([H:12])([H:13])[N+:4]1([C:5]([C:6]([O:7][H:18])([H:16])[H:17])([H:14])[H:15])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H11NO/c1-5-4-6(5)2-3-7/h5,7H,2-4H2,1H3/t5-,6?/m0/s1","InChI=1S/C5H11NO/c1-5-4-6(5)2-3-7/h6-7H,2-4H2,1H3",70.88526,55.220169999999996,
15159,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]1[C:5]([C:6]([O:7][H:18])([H:16])[H:17])([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]1/[C:5](=[C:6](\[O:7][H:18])[H:16])[H:14])([H:8])([H:9])[H:10].[H:15][H:17],"InChI=1S/C5H11NO/c1-5-4-6(5)2-3-7/h5,7H,2-4H2,1H3/t5-,6?/m0/s1","InChI=1S/C5H9NO.H2/c1-5-4-6(5)2-3-7;/h2-3,5,7H,4H2,1H3;1H/b3-2-;/t5-,6?;/m0./s1",100.6237,21.48762,
15160,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]1[C:5]([C:6]([O:7][H:18])([H:16])[H:17])([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]1[C:5]([C:6][H:16])([H:14])[H:15])([H:8])([H:9])[H:10].[O:7]([H:17])[H:18],"InChI=1S/C5H11NO/c1-5-4-6(5)2-3-7/h5,7H,2-4H2,1H3/t5-,6?/m0/s1","InChI=1S/C5H9N.H2O/c1-3-6-4-5(6)2;/h1,5H,3-4H2,2H3;1H2/t5-,6?;/m0./s1",78.58232,16.15246,
15161,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[N:4]1[C:5]([C:6]([O:7][H:18])([H:16])[H:17])([H:14])[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]([C:3]([C:6]([O:7][H:18])([H:16])[H:17])([H:12])[H:13])([N:4]=[C:5]([H:14])[H:15])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H11NO/c1-5-4-6(5)2-3-7/h5,7H,2-4H2,1H3/t5-,6?/m0/s1","InChI=1S/C5H11NO/c1-5(6-2)3-4-7/h5,7H,2-4H2,1H3/t5-/m0/s1",82.00867,-13.3002,
15162,[C:1]1([H:8])([H:9])[C@:2]2([H:10])[C@@:3]3([H:11])[C@:4]2([H:12])[N:5]2[C@:6]1([H:13])[C@@:7]32[H:14],[C:1]1([H:8])([H:9])[C:2][C@@:3]2([H:11])[C:4]([H:10])([H:12])[N:5]3[C@:6]1([H:13])[C@@:7]23[H:14],"InChI=1S/C6H7N/c1-2-4-5(2)7-3(1)6(4)7/h2-6H,1H2/t2-,3+,4+,5-,6+,7?/m1/s1","InChI=1S/C6H7N/c1-2-5-6-4(1)3-7(5)6/h4-6H,2-3H2/t4-,5-,6+,7?/m0/s1",57.884159999999994,56.45064,
15163,[C:1]1([H:8])([H:9])[C@:2]2([H:10])[C@@:3]3([H:11])[C@:4]2([H:12])[N:5]2[C@:6]1([H:13])[C@@:7]32[H:14],[C:1]1([H:8])([H:9])[C@:2]2([H:10])[C@@:3]3([H:11])[C@:4]2([H:12])[N:5]([H:14])[C@:6]1([H:13])[C:7]3,"InChI=1S/C6H7N/c1-2-4-5(2)7-3(1)6(4)7/h2-6H,1H2/t2-,3+,4+,5-,6+,7?/m1/s1","InChI=1S/C6H7N/c1-3-2-5-4(1)6(5)7-3/h3-7H,1H2/t3-,4+,5-,6+/m0/s1",50.57589,38.68396,
15164,[C:1]1([H:8])([H:9])[C@:2]2([H:10])[C@@:3]3([H:11])[C@:4]2([H:12])[N:5]2[C@:6]1([H:13])[C@@:7]32[H:14],[C:1]([C@:6]1([H:13])[N:5]2[C:4]([H:12])=[C:2]=[C:3]([H:11])[C@@:7]21[H:14])([H:8])([H:9])[H:10],"InChI=1S/C6H7N/c1-2-4-5(2)7-3(1)6(4)7/h2-6H,1H2/t2-,3+,4+,5-,6+,7?/m1/s1","InChI=1S/C6H7N/c1-5-6-3-2-4-7(5)6/h3-6H,1H3/t5-,6+,7?/m0/s1",76.81582,32.13861,
15165,[C:1]1([H:8])([H:9])[C@:2]2([H:10])[C@@:3]3([H:11])[C@:4]2([H:12])[N:5]2[C@:6]1([H:13])[C@@:7]32[H:14],[C:1]1([H:8])([H:9])[C@:2]2([H:10])[C:3][C@:4]2([H:12])[N:5]2[C@:6]1([H:13])[C:7]2([H:11])[H:14],"InChI=1S/C6H7N/c1-2-4-5(2)7-3(1)6(4)7/h2-6H,1H2/t2-,3+,4+,5-,6+,7?/m1/s1","InChI=1S/C6H7N/c1-4-2-6(4)7-3-5(1)7/h4-6H,1,3H2/t4-,5+,6+,7?/m1/s1",67.80174,67.89908,
15166,[C:1]1([H:8])([H:9])[C@:2]2([H:10])[C@@:3]3([H:11])[C@:4]2([H:12])[N:5]2[C@:6]1([H:13])[C@@:7]32[H:14],[C:1]1([H:8])([H:9])[C@:2]2([H:10])[C@@:3]3([H:11])[C@:4]2([H:12])[N:5]([H:13])[C@@:7]3([H:14])[C:6]1,"InChI=1S/C6H7N/c1-2-4-5(2)7-3(1)6(4)7/h2-6H,1H2/t2-,3+,4+,5-,6+,7?/m1/s1","InChI=1S/C6H7N/c1-2-4-5-3(1)6(5)7-4/h3-7H,1H2/t3-,4+,5-,6-/m1/s1",51.960409999999996,50.20077,
15167,[C:1]1([H:8])([H:9])[C@:2]2([H:10])[C@@:3]3([H:11])[C@:4]2([H:12])[N:5]2[C@:6]1([H:13])[C@@:7]32[H:14],[C:1]1([H:8])([H:9])[C@:2]2([H:10])[C:3][C@@:7]3([H:14])[N:5]([C:4]2([H:11])[H:12])[C@@:6]13[H:13],"InChI=1S/C6H7N/c1-2-4-5(2)7-3(1)6(4)7/h2-6H,1H2/t2-,3+,4+,5-,6+,7?/m1/s1","InChI=1S/C6H7N/c1-4-2-6-5(1)7(6)3-4/h4-6H,1,3H2/t4-,5+,6-,7?/m1/s1",55.37177,40.42208,
15168,[C:1]1([H:8])([H:9])[C@:2]2([H:10])[C@@:3]3([H:11])[C@:4]2([H:12])[N:5]2[C@:6]1([H:13])[C@@:7]32[H:14],[C:1]1([H:8])([H:9])[C@:2]2([H:10])[C@:4]3([H:12])[C:3]([H:11])=[C:7]([H:14])[C@@:6]1([H:13])[N:5]23,"InChI=1S/C6H7N/c1-2-4-5(2)7-3(1)6(4)7/h2-6H,1H2/t2-,3+,4+,5-,6+,7?/m1/s1","InChI=1S/C6H7N/c1-2-5-6-3-4(1)7(5)6/h1-2,4-6H,3H2/t4-,5+,6-,7?/m1/s1",36.64116,-10.41502,
15169,[C:1]1([H:8])([H:9])[C@:2]2([H:10])[C@@:3]3([H:11])[C@:4]2([H:12])[N:5]2[C@:6]1([H:13])[C@@:7]32[H:14],[C:1]1([H:8])([H:9])[C:2][C@:4]2([H:12])[C:3]([H:10])([H:11])[C@@:7]3([H:14])[N:5]2[C@@:6]13[H:13],"InChI=1S/C6H7N/c1-2-4-5(2)7-3(1)6(4)7/h2-6H,1H2/t2-,3+,4+,5-,6+,7?/m1/s1","InChI=1S/C6H7N/c1-2-5-6-3-4(1)7(5)6/h4-6H,2-3H2/t4-,5+,6-,7?/m1/s1",55.84171,51.78006,
15170,[C:1]1([H:8])([H:9])[C@:2]2([H:10])[C@@:3]3([H:11])[C@:4]2([H:12])[N:5]2[C@:6]1([H:13])[C@@:7]32[H:14],[C:1]1([H:8])([H:9])[C@:2]2([H:10])[C:3]([H:11])=[C:7]([H:14])[N:5]3[C@:4]2([H:12])[C@@:6]13[H:13],"InChI=1S/C6H7N/c1-2-4-5(2)7-3(1)6(4)7/h2-6H,1H2/t2-,3+,4+,5-,6+,7?/m1/s1","InChI=1S/C6H7N/c1-2-7-5-3-4(1)6(5)7/h1-2,4-6H,3H2/t4-,5+,6-,7?/m0/s1",47.46465,-6.08279,
15171,[C:1]1([H:8])([H:9])[C@:2]2([H:10])[C@@:3]3([H:11])[C@:4]2([H:12])[N:5]2[C@:6]1([H:13])[C@@:7]32[H:14],[C:1]1([H:8])([H:9])[C@:2]2([H:10])[C@@:3]3([H:11])[C@:4]2([H:12])[N:5]3[C@@:6]1([C:7][H:14])[H:13],"InChI=1S/C6H7N/c1-2-4-5(2)7-3(1)6(4)7/h2-6H,1H2/t2-,3+,4+,5-,6+,7?/m1/s1","InChI=1S/C6H7N/c1-3-2-4-5-6(4)7(3)5/h1,3-6H,2H2/t3-,4-,5+,6-,7?/m1/s1",87.64614,90.57117,
15172,[C:1]1([H:8])([H:9])[C@:2]2([H:10])[C@@:3]3([H:11])[C@:4]2([H:12])[N:5]2[C@:6]1([H:13])[C@@:7]32[H:14],[C:1]1([H:8])=[C:6]([H:13])[N:5]2[C@:4]([H:12])([C:2]1([H:9])[H:10])[C:3]([H:11])=[C:7]2[H:14],"InChI=1S/C6H7N/c1-2-4-5(2)7-3(1)6(4)7/h2-6H,1H2/t2-,3+,4+,5-,6+,7?/m1/s1","InChI=1S/C6H7N/c1-2-6-3-5-7(6)4-1/h1,3-6H,2H2/t6-/m1/s1",56.73475,-17.08116,
15173,[C:1]1([H:8])([H:9])[C@:2]2([H:10])[C@@:3]3([H:11])[C@:4]2([H:12])[N:5]2[C@:6]1([H:13])[C@@:7]32[H:14],[C@@:1]12([H:8])[C@@:2]3([H:10])[C@:3]1([H:11])[C@:7]1([H:14])[N:5]([C:4]3([H:9])[H:12])[C@:6]21[H:13],"InChI=1S/C6H7N/c1-2-4-5(2)7-3(1)6(4)7/h2-6H,1H2/t2-,3+,4+,5-,6+,7?/m1/s1","InChI=1S/C6H7N/c1-2-3-4(2)6-5(3)7(1)6/h2-6H,1H2/t2-,3+,4-,5+,6-,7?",85.16475,0.26299,
15174,[C:1]1([H:8])([H:9])[C@:2]2([H:10])[C@@:3]3([H:11])[C@:4]2([H:12])[N:5]2[C@:6]1([H:13])[C@@:7]32[H:14],[C:1]1([H:8])([H:9])[C@:2]2([H:10])[C:3]([H:11])=[C:7]([H:14])[C@@:6]1([H:13])[N:5]([H:12])[C:4]2,"InChI=1S/C6H7N/c1-2-4-5(2)7-3(1)6(4)7/h2-6H,1H2/t2-,3+,4+,5-,6+,7?/m1/s1","InChI=1S/C6H7N/c1-2-6-3-5(1)4-7-6/h1-2,5-7H,3H2/t5-,6+/m0/s1",79.83063,2.07202,
15175,[C:1]1([H:8])([H:9])[C@:2]2([H:10])[C@@:3]3([H:11])[C@:4]2([H:12])[N:5]2[C@:6]1([H:13])[C@@:7]32[H:14],[C:1]1([H:8])([H:9])[C@@:3]2([H:11])[C@:4]([C:2][H:10])([H:12])[N:5]3[C@:6]1([H:13])[C@@:7]23[H:14],"InChI=1S/C6H7N/c1-2-4-5(2)7-3(1)6(4)7/h2-6H,1H2/t2-,3+,4+,5-,6+,7?/m1/s1","InChI=1S/C6H7N/c1-3-4-2-5-6(4)7(3)5/h1,3-6H,2H2/t3-,4+,5+,6-,7?/m1/s1",108.37431000000001,94.42671999999999,
15176,[C:1]1([H:8])([H:9])[C@:2]2([H:10])[C@@:3]3([H:11])[C@:4]2([H:12])[N:5]2[C@:6]1([H:13])[C@@:7]32[H:14],[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C@:3]3([H:11])[C@@:4]2([H:12])[C@:7]3([H:14])[N:5]=[C:6]1[H:13],"InChI=1S/C6H7N/c1-2-4-5(2)7-3(1)6(4)7/h2-6H,1H2/t2-,3+,4+,5-,6+,7?/m1/s1","InChI=1S/C6H7N/c1-2-7-6-4-3(1)5(4)6/h2-6H,1H2/t3-,4+,5-,6+",68.36176,41.2187,
15177,[C:1]1([H:8])([H:9])[C@:2]2([H:10])[C@@:3]3([H:11])[C@:4]2([H:12])[N:5]2[C@:6]1([H:13])[C@@:7]32[H:14],[C:1]1([H:8])([H:9])[C@:2]2([H:10])[C@:3]([C:4][H:12])([H:11])[C@@:7]3([H:14])[N:5]2[C@@:6]13[H:13],"InChI=1S/C6H7N/c1-2-4-5(2)7-3(1)6(4)7/h2-6H,1H2/t2-,3+,4+,5-,6+,7?/m1/s1","InChI=1S/C6H7N/c1-3-4-2-5-6(3)7(4)5/h1,3-6H,2H2/t3-,4-,5+,6-,7?/m1/s1",114.32466000000001,89.5195,
15178,[C:1]1([H:8])([H:9])[C@:2]2([H:10])[C@@:3]3([H:11])[C@:4]2([H:12])[N:5]2[C@:6]1([H:13])[C@@:7]32[H:14],[C:1]1([H:8])([H:9])[C@:2]2([H:10])[C@@:3]([H:11])([C:4]2)[C@@:7]2([H:14])[N:5]([H:12])[C@@:6]12[H:13],"InChI=1S/C6H7N/c1-2-4-5(2)7-3(1)6(4)7/h2-6H,1H2/t2-,3+,4+,5-,6+,7?/m1/s1","InChI=1S/C6H7N/c1-3-2-5-6(7-5)4(1)3/h3-7H,2H2/t3-,4-,5+,6-/m1/s1",54.75225,56.747009999999996,
15179,[C:1]([C:2]1([C:6]#[N:7])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C:5]1([H:15])[H:16])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:5]([H:15])[H:16])[C:6]#[N:7])([H:8])([H:9])[H:10].[C:3](=[C:4]([H:13])[H:14])([H:11])[H:12],"InChI=1S/C6H9N/c1-6(5-7)3-2-4-6/h2-4H2,1H3","InChI=1S/C4H5N.C2H4/c1-4(2)3-5;1-2/h1H2,2H3;1-2H2",76.47663,16.93725,
15180,[C:1]([C:2]1([C:6]#[N:7])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C:5]1([H:15])[H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]([C:3][H:12])([C:5]([C:4]([H:11])([H:13])[H:14])([H:15])[H:16])[C:6]#[N:7])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-6(5-7)3-2-4-6/h2-4H2,1H3","InChI=1S/C6H9N/c1-4-6(2,3)5-7/h2H,4H2,1,3H3/t6-/m0/s1",77.88367,80.48965,
15181,[C:1]([C:2]1([C:6]#[N:7])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C:5]1([H:15])[H:16])([H:8])([H:9])[H:10],[C:1]([C:2]1([N+:7]#[C-:6])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C:5]1([H:15])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-6(5-7)3-2-4-6/h2-4H2,1H3","InChI=1S/C6H9N/c1-6(7-2)4-3-5-6/h3-5H2,1H3",57.77044,23.5272,
15182,[C:1]([C:2]1([C:6]#[N:7])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C:5]1([H:15])[H:16])([H:8])([H:9])[H:10],[C:1]([C@:2]([C:3]([C:4]([C:5][H:15])([H:13])[H:14])([H:11])[H:12])([C:6]#[N:7])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-6(5-7)3-2-4-6/h2-4H2,1H3","InChI=1S/C6H9N/c1-3-4-6(2)5-7/h1,6H,3-4H2,2H3/t6-/m1/s1",79.80861999999999,80.98269,
15183,[C:1]([C:2]1([C:6]#[N:7])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C:5]1([H:15])[H:16])([H:8])([H:9])[H:10],[C:1]([C:2]1([C:6]#[N:7])[C:4]([H:13])([H:14])[C:5]1([H:15])[H:16])([H:8])([H:9])[H:10].[C:3]([H:11])[H:12],"InChI=1S/C6H9N/c1-6(5-7)3-2-4-6/h2-4H2,1H3","InChI=1S/C5H7N.CH2/c1-5(4-6)2-3-5;/h2-3H2,1H3;1H2",107.67238,118.66572,
15184,[C:1]([C:2]1([C:6]#[N:7])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C:5]1([H:15])[H:16])([H:8])([H:9])[H:10],[C:1]([C:2]12[C:3]([H:11])([H:12])[C:4]([H:14])([C:5]1([H:15])[H:16])[N:7]([H:13])[C:6]2)([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-6(5-7)3-2-4-6/h2-4H2,1H3","InChI=1S/C6H9N/c1-6-2-5(3-6)7-4-6/h5,7H,2-3H2,1H3",92.85112,61.622130000000006,
15185,[C:1]([C:2]1([C:6]#[N:7])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C:5]1([H:15])[H:16])([H:8])([H:9])[H:10],[C:1]1([H:8])([H:10])[C:2]2([C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C:5]2([H:15])[H:16])/[C:6]1=[N:7]/[H:9],"InChI=1S/C6H9N/c1-6(5-7)3-2-4-6/h2-4H2,1H3","InChI=1S/C6H9N/c7-5-4-6(5)2-1-3-6/h7H,1-4H2/b7-5+",105.57453000000001,35.08233,
15186,[C:1]([C:2]1([C:6]#[N:7])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C:5]1([H:15])[H:16])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]([H:11])[H:12])[C:5]([C:4]([C:6]#[N:7])([H:13])[H:14])([H:15])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-6(5-7)3-2-4-6/h2-4H2,1H3","InChI=1S/C6H9N/c1-6(2)4-3-5-7/h1,3-4H2,2H3",101.52829,-4.96497,
15187,[C:1]([C:2]1([C:6]#[N:7])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C:5]1([H:15])[H:16])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:12].[C:2]1([C:6]#[N:7])=[C:3]([H:11])[C:4]([H:13])([H:14])[C:5]1([H:15])[H:16],"InChI=1S/C6H9N/c1-6(5-7)3-2-4-6/h2-4H2,1H3","InChI=1S/C5H5N.CH4/c6-4-5-2-1-3-5;/h2H,1,3H2;1H4",92.77176,18.218320000000002,
15188,[C:1]([C:2]1([C:6]#[N:7])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C:5]1([H:15])[H:16])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:11])([H:12])[H:14])([C:5]([C:4][H:13])([H:15])[H:16])[C:6]#[N:7])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-6(5-7)3-2-4-6/h2-4H2,1H3","InChI=1S/C6H9N/c1-4-6(2,3)5-7/h1H,4H2,2-3H3",79.89485,78.03088000000001,
15189,[C:1]([C:2]1([C:6]#[N:7])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C:5]1([H:15])[H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C@:5]1([H:16])[N:7]([H:15])[C:6]2)([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-6(5-7)3-2-4-6/h2-4H2,1H3","InChI=1S/C6H9N/c1-6-3-2-5(6)7-4-6/h5,7H,2-3H2,1H3/t5-,6-/m0/s1",116.9292,68.56752,
15190,[C:1]([C:2]([O:3][C:4]([C:5]1([H:15])[C:6]([H:16])([H:17])[C:7]1([H:18])[H:19])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([O+:3]=[C-:4][H:13])([H:11])[H:12])([H:8])([H:9])[H:10].[C:5]1([H:14])([H:15])[C:6]([H:16])([H:17])[C:7]1([H:18])[H:19],"InChI=1S/C6H12O/c1-2-7-5-6-3-4-6/h6H,2-5H2,1H3","InChI=1S/C3H6O.C3H6/c1-3-4-2;1-2-3-1/h2H,3H2,1H3;1-3H2",74.38077,68.10627,
15191,[C:1]([C:2]([O:3][C:4]([C:5]1([H:15])[C:6]([H:16])([H:17])[C:7]1([H:18])[H:19])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([O:3][C:4]([C:5][C:6]([C:7]([H:15])([H:18])[H:19])([H:16])[H:17])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-2-7-5-6-3-4-6/h6H,2-5H2,1H3","InChI=1S/C6H12O/c1-3-5-6-7-4-2/h3-4,6H2,1-2H3",65.79006,66.74556,
15192,[C:1]([C:2]([O:3][C:4]([C:5]1([H:15])[C:6]([H:16])([H:17])[C:7]1([H:18])[H:19])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([O:3][C:4](=[C:5]([H:14])[H:15])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10].[C:6](=[C:7]([H:18])[H:19])([H:16])[H:17],"InChI=1S/C6H12O/c1-2-7-5-6-3-4-6/h6H,2-5H2,1H3","InChI=1S/C4H8O.C2H4/c1-3-5-4-2;1-2/h3H,1,4H2,2H3;1-2H2",79.80801,12.85657,
15193,[C:1]([C:2]([O:3][C:4]([C:5]1([H:15])[C:6]([H:16])([H:17])[C:7]1([H:18])[H:19])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2](=[O:3])[H:12])([H:8])([H:9])[H:10].[C:4](=[C:5]1[C:6]([H:16])([H:17])[C:7]1([H:18])[H:19])([H:13])[H:14].[H:11][H:15],"InChI=1S/C6H12O/c1-2-7-5-6-3-4-6/h6H,2-5H2,1H3","InChI=1S/C4H6.C2H4O.H2/c1-4-2-3-4;1-2-3;/h1-3H2;2H,1H3;1H",63.77401,37.04209,
15194,[C:1]([C:2]([O:3][C:4]([C:5]1([H:15])[C:6]([H:16])([H:17])[C:7]1([H:18])[H:19])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([O:3]/[C:4](=[C:5](\[C:7]([C:6]([H:9])([H:16])[H:17])([H:18])[H:19])[H:15])[H:14])([H:11])[H:12])([H:8])([H:10])[H:13],"InChI=1S/C6H12O/c1-2-7-5-6-3-4-6/h6H,2-5H2,1H3","InChI=1S/C6H12O/c1-3-5-6-7-4-2/h5-6H,3-4H2,1-2H3/b6-5-",79.41721,-12.39931,
15195,[C:1]([C:2]([O:3][C:4]([C:5]1([H:15])[C:6]([H:16])([H:17])[C:7]1([H:18])[H:19])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([O:3][C:7]([C:6]([C:5](=[C:4]([H:13])[H:14])[H:15])([H:16])[H:17])([H:18])[H:19])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-2-7-5-6-3-4-6/h6H,2-5H2,1H3","InChI=1S/C6H12O/c1-3-5-6-7-4-2/h3H,1,4-6H2,2H3",64.11111,-5.00194,
15196,[C:1]([C:2]([O:3][C:4]([C:5]1([H:15])[C:6]([H:16])([H:17])[C:7]1([H:18])[H:19])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])[H:10].[C:2]([O:3][C:4]([C:5]1([H:15])[C:6]([H:16])([H:17])[C:7]1([H:18])[H:19])[H:13])([H:11])([H:12])[H:14],"InChI=1S/C6H12O/c1-2-7-5-6-3-4-6/h6H,2-5H2,1H3","InChI=1S/C5H9O.CH3/c1-6-4-5-2-3-5;/h4-5H,2-3H2,1H3;1H3",112.12822,86.63461,
15197,[C:1]([C:2]([O:3][C:4]([C:5]1([H:15])[C:6]([H:16])([H:17])[C:7]1([H:18])[H:19])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C-:2](=[O+:3][C:4]([C:5]1([H:15])[C:6]([H:16])([H:17])[C:7]1([H:18])[H:19])([H:13])[H:14])[H:12].[C:1]([H:8])([H:9])([H:10])[H:11],"InChI=1S/C6H12O/c1-2-7-5-6-3-4-6/h6H,2-5H2,1H3","InChI=1S/C5H8O.CH4/c1-6-4-5-2-3-5;/h1,5H,2-4H2;1H4",72.5704,63.13066,
15198,[C:1]([C:2]([O:3][C:4]([C:5]1([H:15])[C:6]([H:16])([H:17])[C:7]1([H:18])[H:19])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](=[C:2]([H:11])[H:12])([H:8])[H:10].[O:3]([C:4]([C:5]1([H:15])[C:6]([H:16])([H:17])[C:7]1([H:18])[H:19])([H:13])[H:14])[H:9],"InChI=1S/C6H12O/c1-2-7-5-6-3-4-6/h6H,2-5H2,1H3","InChI=1S/C4H8O.C2H4/c5-3-4-1-2-4;1-2/h4-5H,1-3H2;1-2H2",59.63332,14.02075,"1,3_Insertion_ROR"
15199,[C:1]([C:2]([O:3][C:4]([C:5]1([H:15])[C:6]([H:16])([H:17])[C:7]1([H:18])[H:19])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2](=[O:3])[H:12])([H:8])([H:9])[H:10].[C:4]([C:5]1([H:15])[C:6]([H:16])([H:17])[C:7]1([H:18])[H:19])([H:11])([H:13])[H:14],"InChI=1S/C6H12O/c1-2-7-5-6-3-4-6/h6H,2-5H2,1H3","InChI=1S/C4H8.C2H4O/c1-4-2-3-4;1-2-3/h4H,2-3H2,1H3;2H,1H3",68.78726,-1.32883,
15200,[C:1]([C:2]([O:3][C:4]([C:5]1([H:15])[C:6]([H:16])([H:17])[C:7]1([H:18])[H:19])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2](=[O+:3][C:4]([C@:5]([C:6]([H:12])([H:16])[H:17])([C-:7]([H:18])[H:19])[H:15])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-2-7-5-6-3-4-6/h6H,2-5H2,1H3","InChI=1S/C6H12O/c1-4-7-5-6(2)3/h4,6H,2,5H2,1,3H3/t6-/m0/s1",80.86856999999999,53.1081,
15201,[C:1]([C:2]([O:3][C:4]([C:5]1([H:15])[C:6]([H:16])([H:17])[C:7]1([H:18])[H:19])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([O:3][C:5]1([H:15])[C:4]([H:13])([H:14])[C:6]([H:16])([H:17])[C:7]1([H:18])[H:19])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-2-7-5-6-3-4-6/h6H,2-5H2,1H3","InChI=1S/C6H12O/c1-2-7-6-4-3-5-6/h6H,2-5H2,1H3",72.79760999999999,-3.89681,
15202,[C:1]([C:2]([O:3][C:4]([C:5]1([H:15])[C:6]([H:16])([H:17])[C:7]1([H:18])[H:19])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](=[C:2]([H:11])[H:12])([H:8])[H:10].[H:9][H:14].[O:3]=[C:4]([C:5]1([H:15])[C:6]([H:16])([H:17])[C:7]1([H:18])[H:19])[H:13],"InChI=1S/C6H12O/c1-2-7-5-6-3-4-6/h6H,2-5H2,1H3","InChI=1S/C4H6O.C2H4.H2/c5-3-4-1-2-4;1-2;/h3-4H,1-2H2;1-2H2;1H",57.46641999999999,29.008390000000002,
15203,[C:1]([C:2]([O:3][C:4]([C:5]1([H:15])[C:6]([H:16])([H:17])[C:7]1([H:18])[H:19])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([O:3][C:4]([C:5](=[C:6]([H:16])[H:17])[H:15])([H:13])[H:14])([H:11])[H:12])([C:7]([H:9])([H:18])[H:19])([H:8])[H:10],"InChI=1S/C6H12O/c1-2-7-5-6-3-4-6/h6H,2-5H2,1H3","InChI=1S/C6H12O/c1-3-5-7-6-4-2/h3H,1,4-6H2,2H3",106.73855,-2.1951099999999997,
15204,[C:1]([C:2]([O:3][C:4]([C:5]1([H:15])[C:6]([H:16])([H:17])[C:7]1([H:18])[H:19])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:7]([C:5](=[C:6]([H:16])[H:17])[H:15])([H:18])[H:19])([H:11])[H:12])([H:8])([H:9])[H:10].[O:3]=[C:4]([H:13])[H:14],"InChI=1S/C6H12O/c1-2-7-5-6-3-4-6/h6H,2-5H2,1H3","InChI=1S/C5H10.CH2O/c1-3-5-4-2;1-2/h3H,1,4-5H2,2H3;1H2",84.81841,2.04429,
15205,[C:1]([C:2]([O:3][C:4]([C:5]1([H:15])[C:6]([H:16])([H:17])[C:7]1([H:18])[H:19])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C-:2]([O+:3]=[C:4]([C:5]1([H:15])[C:6]([H:16])([H:17])[C:7]1([H:18])[H:19])[H:13])([H:11])[H:12].[C:1]([H:8])([H:9])([H:10])[H:14],"InChI=1S/C6H12O/c1-2-7-5-6-3-4-6/h6H,2-5H2,1H3","InChI=1S/C5H8O.CH4/c1-6-4-5-2-3-5;/h4-5H,1-3H2;1H4",76.6333,59.560230000000004,
15206,[C:1]([C:2]([O:3][C:4]([C:5]1([H:15])[C:6]([H:16])([H:17])[C:7]1([H:18])[H:19])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([O:3]/[C:4](=[C:5](\[C:7](=[C:6]([H:16])[H:17])[H:19])[H:15])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10].[H:14][H:18],"InChI=1S/C6H12O/c1-2-7-5-6-3-4-6/h6H,2-5H2,1H3","InChI=1S/C6H10O.H2/c1-3-5-6-7-4-2;/h3,5-6H,1,4H2,2H3;1H/b6-5-;",86.70805,14.57257,
15207,[C:1]([C:2]([O:3][C:4]([C:5]1([H:15])[C:6]([H:16])([H:17])[C:7]1([H:18])[H:19])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([O:3][C:4]([C:7]([C:6]([C:5][H:15])([H:16])[H:17])([H:18])[H:19])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-2-7-5-6-3-4-6/h6H,2-5H2,1H3","InChI=1S/C6H12O/c1-3-5-6-7-4-2/h1H,3-6H2,2H3",94.20226,79.30514000000001,
15208,[C:1]([C:2]([O:3][C:4]([C:5]1([H:15])[C:6]([H:16])([H:17])[C:7]1([H:18])[H:19])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2](=[O:3])[H:12])([H:8])([H:9])[H:10].[C:4](=[C:5]([C:6]([C:7]([H:11])([H:18])[H:19])([H:16])[H:17])[H:15])([H:13])[H:14],"InChI=1S/C6H12O/c1-2-7-5-6-3-4-6/h6H,2-5H2,1H3","InChI=1S/C4H8.C2H4O/c1-3-4-2;1-2-3/h3H,1,4H2,2H3;2H,1H3",56.81921,-7.409660000000001,
15209,[C:1]([C:2]([C@@:3]1([C:6]#[C:7][H:15])[C:4]([H:13])([H:14])[O:5]1)([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:4]([O+:5]=[C-:3][C:6]#[C:7][H:15])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-3-6(4-2)5-7-6/h1H,4-5H2,2H3/t6-/m0/s1","InChI=1S/C6H8O/c1-3-5-7-6-4-2/h1H,4,6H2,2H3",92.36753,36.773070000000004,
15210,[C:1]([C:2]([C@@:3]1([C:6]#[C:7][H:15])[C:4]([H:13])([H:14])[O:5]1)([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C@:2]1([H:11])[C@:3]2([C:4]([H:13])([H:14])[O:5]2)[C:6][C:7]1([H:12])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-3-6(4-2)5-7-6/h1H,4-5H2,2H3/t6-/m0/s1","InChI=1S/C6H8O/c1-5-2-3-6(5)4-7-6/h5H,2,4H2,1H3/t5-,6+/m0/s1",84.28617,62.27242,
15211,[C:1]([C:2]([C@@:3]1([C:6]#[C:7][H:15])[C:4]([H:13])([H:14])[O:5]1)([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]1=[C:6]=[C:7]([H:15])[O:5][C:4]1([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-3-6(4-2)5-7-6/h1H,4-5H2,2H3/t6-/m0/s1","InChI=1S/C6H8O/c1-2-6-3-4-7-5-6/h4H,2,5H2,1H3",52.72138,7.908460000000001,
15212,[C:1]([C:2]([C@@:3]1([C:6]#[C:7][H:15])[C:4]([H:13])([H:14])[O:5]1)([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](=[C:2]([H:11])[H:12])([H:8])[H:9].[C:3]1(=[C:6]=[C:7]([H:10])[H:15])[C:4]([H:13])([H:14])[O:5]1,"InChI=1S/C6H8O/c1-3-6(4-2)5-7-6/h1H,4-5H2,2H3/t6-/m0/s1","InChI=1S/C4H4O.C2H4/c1-2-4-3-5-4;1-2/h1,3H2;1-2H2",46.43616,28.08448,Retroene
15213,[C:1]([C:2]([C@@:3]1([C:6]#[C:7][H:15])[C:4]([H:13])([H:14])[O:5]1)([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([C:4]([C:6]#[C:7][H:15])([H:13])[H:14])=[O:5])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-3-6(4-2)5-7-6/h1H,4-5H2,2H3/t6-/m0/s1","InChI=1S/C6H8O/c1-3-5-6(7)4-2/h1H,4-5H2,2H3",59.90578000000001,-24.081789999999998,
15214,[C:1]([C:2]([C@@:3]1([C:6]#[C:7][H:15])[C:4]([H:13])([H:14])[O:5]1)([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2](/[C:3]([C:4](=[O:5])[H:14])=[C:6](\[C:7][H:15])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-3-6(4-2)5-7-6/h1H,4-5H2,2H3/t6-/m0/s1","InChI=1S/C6H8O/c1-3-6(4-2)5-7/h1,3,5H,4H2,2H3/b6-3+",73.53105,28.52702,
15215,[C:1]([C:2]([C@@:3]1([C:6]#[C:7][H:15])[C:4]([H:13])([H:14])[O:5]1)([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:3]([O+:5]=[C-:4][H:14])([C:6]#[C:7][H:15])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-3-6(4-2)5-7-6/h1H,4-5H2,2H3/t6-/m0/s1","InChI=1S/C6H8O/c1-4-6(5-2)7-3/h1,3,6H,5H2,2H3/t6-/m0/s1",79.49468,48.564240000000005,
15216,[C:1]([C:2]([C@@:3]1([C:6]#[C:7][H:15])[C:4]([H:13])([H:14])[O:5]1)([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3](=[O+:5][C-:4]([H:13])[H:14])[C:6]#[C:7][H:15])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-3-6(4-2)5-7-6/h1H,4-5H2,2H3/t6-/m0/s1","InChI=1S/C6H8O/c1-4-6(5-2)7-3/h1H,3,5H2,2H3",43.56664,29.7997,
15217,[C:1]([C:2]([C@@:3]1([C:6]#[C:7][H:15])[C:4]([H:13])([H:14])[O:5]1)([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:3]1([C:7](=[C:6])[H:15])[C:4]([H:13])([H:14])[O:5]1)([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-3-6(4-2)5-7-6/h1H,4-5H2,2H3/t6-/m0/s1","InChI=1S/C6H8O/c1-3-6(4-2)5-7-6/h4H,3,5H2,1H3/t6-/m1/s1",54.939330000000005,52.36887,Singlet_Carbene_Intra_Disproportionation
15218,[C:1]([C:2]([C@@:3]1([C:6]#[C:7][H:15])[C:4]([H:13])([H:14])[O:5]1)([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]1([H:8])([H:9])[C:2]([H:11])([H:12])[C@:3]2([C:4]([H:13])([H:14])[O:5]2)[C:6]1=[C:7]([H:10])[H:15],"InChI=1S/C6H8O/c1-3-6(4-2)5-7-6/h1H,4-5H2,2H3/t6-/m0/s1",InChI=1S/C6H8O/c1-5-2-3-6(5)4-7-6/h1-4H2/t6-/m0/s1,80.34268,-10.524339999999999,
15219,[C:1]([C:2]([C@@:3]1([C:6]#[C:7][H:15])[C:4]([H:13])([H:14])[O:5]1)([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2](/[C:6](=[C:3]1\[C:4]([H:13])([H:14])[O:5]1)[C:7][H:15])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-3-6(4-2)5-7-6/h1H,4-5H2,2H3/t6-/m0/s1","InChI=1S/C6H8O/c1-3-5(2)6-4-7-6/h2H,3-4H2,1H3/b6-5+",76.28345999999999,57.321659999999994,
15220,[C:1]([C:2]([C@@:3]1([C:6]#[C:7][H:15])[C:4]([H:13])([H:14])[O:5]1)([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:3](=[C:2]([H:11])[H:12])[C:6]#[C:7][H:15])([H:8])([H:9])[H:10].[C:4](=[O:5])([H:13])[H:14],"InChI=1S/C6H8O/c1-3-6(4-2)5-7-6/h1H,4-5H2,2H3/t6-/m0/s1","InChI=1S/C5H6.CH2O/c1-4-5(2)3;1-2/h1H,2H2,3H3;1H2",78.35618000000001,2.58858,
15221,[C:1]([C:2]([C@@:3]1([C:6]#[C:7][H:15])[C:4]([H:13])([H:14])[O:5]1)([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:7](=[C:6]=[C:3]1[C:4]([H:13])([H:14])[O:5]1)[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-3-6(4-2)5-7-6/h1H,4-5H2,2H3/t6-/m0/s1","InChI=1S/C6H8O/c1-2-3-4-6-5-7-6/h3H,2,5H2,1H3",96.55194,2.5461,
15222,[C:1]([C:2]([C@@:3]1([C:6]#[C:7][H:15])[C:4]([H:13])([H:14])[O:5]1)([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](=[C:2]([H:11])[H:12])([H:8])[H:9].[C:3]([C:4]([H:10])([H:13])[H:14])(=[O:5])[C:6]#[C:7][H:15],"InChI=1S/C6H8O/c1-3-6(4-2)5-7-6/h1H,4-5H2,2H3/t6-/m0/s1","InChI=1S/C4H4O.C2H4/c1-3-4(2)5;1-2/h1H,2H3;1-2H2",60.24833,-1.3170600000000001,
15223,[C:1]([C:2]([C@@:3]1([C:6]#[C:7][H:15])[C:4]([H:13])([H:14])[O:5]1)([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]1=[C:6]=[C:7]([H:15])[C:4]([H:13])([H:14])[O:5]1)([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-3-6(4-2)5-7-6/h1H,4-5H2,2H3/t6-/m0/s1","InChI=1S/C6H8O/c1-2-6-4-3-5-7-6/h3H,2,5H2,1H3",68.44997,5.80039,
15224,[C:1]([C:2]([C@@:3]1([C:6]#[C:7][H:15])[C:4]([H:13])([H:14])[O:5]1)([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](=[C:2]([C@@:3]1([C:6]#[C:7][H:15])[C:4]([H:13])([H:14])[O:5]1)[H:12])([H:8])[H:9].[H:10][H:11],"InChI=1S/C6H8O/c1-3-6(4-2)5-7-6/h1H,4-5H2,2H3/t6-/m0/s1","InChI=1S/C6H6O.H2/c1-3-6(4-2)5-7-6;/h1,4H,2,5H2;1H/t6-;/m0./s1",108.70626000000001,33.67393,
15225,[C:1]1([H:8])([H:9])[C@:2]2([H:10])[C@@:3]1([H:11])[C@:4]1([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[C@:7]21[H:17],[C:1]1([H:8])([H:9])[C:2][C@@:3]1([C:4]1([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[C:7]1([H:10])[H:17])[H:11],"InChI=1S/C7H10/c1-2-5-4(1)6-3-7(5)6/h4-7H,1-3H2/t4-,5+,6-,7+","InChI=1S/C7H10/c1-2-6(3-1)7-4-5-7/h6-7H,1-4H2/t7-/m1/s1",65.19888,63.47741,
15226,[C:1]1([H:8])([H:9])[C@:2]2([H:10])[C@@:3]1([H:11])[C@:4]1([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[C@:7]21[H:17],[C:1]([C@@:2]1([H:10])[C:3]([H:8])([H:11])[C@@:4]2([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])[H:9],"InChI=1S/C7H10/c1-2-5-4(1)6-3-7(5)6/h4-7H,1-3H2/t4-,5+,6-,7+","InChI=1S/C7H10/c1-5-4-6-2-3-7(5)6/h1,5-7H,2-4H2/t5-,6+,7-/m0/s1",63.9337,63.38908000000001,
15227,[C:1]1([H:8])([H:9])[C@:2]2([H:10])[C@@:3]1([H:11])[C@:4]1([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[C@:7]21[H:17],[C:1]1([H:8])=[C:2]([H:10])[C:3]1([C:4]1([H:12])[C:5]([H:13])([H:14])[C:6]([H:9])([H:16])[C:7]1([H:15])[H:17])[H:11],"InChI=1S/C7H10/c1-2-5-4(1)6-3-7(5)6/h4-7H,1-3H2/t4-,5+,6-,7+","InChI=1S/C7H10/c1-2-6(3-1)7-4-5-7/h4-7H,1-3H2",93.64236,11.99208,
15228,[C:1]1([H:8])([H:9])[C@:2]2([H:10])[C@@:3]1([H:11])[C@:4]1([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[C@:7]21[H:17],[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C@:3]1([H:11])[C:4]([H:12])=[C:5]1[C:6]([H:15])([H:16])[C@@:7]21[H:17].[H:13][H:14],"InChI=1S/C7H10/c1-2-5-4(1)6-3-7(5)6/h4-7H,1-3H2/t4-,5+,6-,7+","InChI=1S/C7H8.H2/c1-4-2-6(4)7-3-5(1)7;/h1,4,6-7H,2-3H2;1H/t4-,6+,7-;/m1./s1",94.81097,36.44253,
15229,[C:1]1([H:8])([H:9])[C@:2]2([H:10])[C@@:3]1([H:11])[C@:4]1([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[C@:7]21[H:17],[C:1]([C@:3]1([H:11])[C:2][C@@:7]2([H:17])[C@:4]1([H:12])[C:5]([H:13])([H:14])[C:6]2([H:15])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C7H10/c1-2-5-4(1)6-3-7(5)6/h4-7H,1-3H2/t4-,5+,6-,7+","InChI=1S/C7H10/c1-5-4-6-2-3-7(5)6/h5-7H,2-3H2,1H3/t5-,6+,7-/m1/s1",65.16153,56.34865,
15230,[C:1]1([H:8])([H:9])[C@:2]2([H:10])[C@@:3]1([H:11])[C@:4]1([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[C@:7]21[H:17],[C:1]1([H:8])=[C:2]([H:10])[C@@:7]2([H:17])[C@@:4]([H:12])([C:3]1([H:9])[H:11])[C:5]([H:13])([H:14])[C:6]2([H:15])[H:16],"InChI=1S/C7H10/c1-2-5-4(1)6-3-7(5)6/h4-7H,1-3H2/t4-,5+,6-,7+","InChI=1S/C7H10/c1-2-6-4-5-7(6)3-1/h1-2,6-7H,3-5H2/t6-,7+/m1/s1",61.92788,-36.76048,
15231,[C:1]1([H:8])([H:9])[C@:2]2([H:10])[C@@:3]1([H:11])[C@:4]1([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[C@:7]21[H:17],[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C@:3]1([H:11])[C:4][C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[C:7]2([H:12])[H:17],"InChI=1S/C7H10/c1-2-5-4(1)6-3-7(5)6/h4-7H,1-3H2/t4-,5+,6-,7+","InChI=1S/C7H10/c1-2-4-7-5-6(7)3-1/h6-7H,1-3,5H2/t6-,7+/m0/s1",62.62452,30.20607,
15232,[C:1]1([H:8])([H:9])[C@:2]2([H:10])[C@@:3]1([H:11])[C@:4]1([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[C@:7]21[H:17],[C:1]1([H:8])([H:9])[C@@:2]([C:7](=[C:6]([H:15])[H:16])[H:17])([H:10])[C@@:3]1([C:4](=[C:5]([H:13])[H:14])[H:12])[H:11],"InChI=1S/C7H10/c1-2-5-4(1)6-3-7(5)6/h4-7H,1-3H2/t4-,5+,6-,7+","InChI=1S/C7H10/c1-3-6-5-7(6)4-2/h3-4,6-7H,1-2,5H2/t6-,7+",60.918380000000006,-18.79589,
15233,[C:1]1([H:8])([H:9])[C@:2]2([H:10])[C@@:3]1([H:11])[C@:4]1([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[C@:7]21[H:17],[C:1](=[C:3]([C@@:4]1([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[C:7]1=[C:2]([H:10])[H:17])[H:11])([H:8])[H:9],"InChI=1S/C7H10/c1-2-5-4(1)6-3-7(5)6/h4-7H,1-3H2/t4-,5+,6-,7+","InChI=1S/C7H10/c1-3-7-5-4-6(7)2/h3,7H,1-2,4-5H2/t7-/m0/s1",86.12593000000001,-20.59976,
15234,[C:1]1([H:8])([H:9])[C@:2]2([H:10])[C@@:3]1([H:11])[C@:4]1([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[C@:7]21[H:17],[C:1](=[C:3]([C@@:2]1([H:10])[C@@:4]2([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[C@@:7]12[H:17])[H:11])([H:8])[H:9],"InChI=1S/C7H10/c1-2-5-4(1)6-3-7(5)6/h4-7H,1-3H2/t4-,5+,6-,7+","InChI=1S/C7H10/c1-2-5-6-3-4-7(5)6/h2,5-7H,1,3-4H2/t5-,6+,7-",67.16533000000001,-10.62573,
15235,[C:1]1([H:8])([H:9])[C@:2]2([H:10])[C@@:3]1([H:11])[C@:4]1([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[C@:7]21[H:17],[C:1]1([H:8])=[C:2]([H:10])[C:3]1([C@@:4]1([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])=[C:7]1[H:17])[H:11].[H:9][H:16],"InChI=1S/C7H10/c1-2-5-4(1)6-3-7(5)6/h4-7H,1-3H2/t4-,5+,6-,7+","InChI=1S/C7H8.H2/c1-2-6(3-1)7-4-5-7;/h1-2,4-7H,3H2;1H/t6-;/m1./s1",76.44051,44.62791,
15236,[C:1]1([H:8])([H:9])[C@:2]2([H:10])[C@@:3]1([H:11])[C@:4]1([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[C@:7]21[H:17],[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C@:3]1([H:11])[C@:4]([C:5]([C:6][H:15])([H:13])[H:14])([H:12])[C:7]2([H:16])[H:17],"InChI=1S/C7H10/c1-2-5-4(1)6-3-7(5)6/h4-7H,1-3H2/t4-,5+,6-,7+","InChI=1S/C7H10/c1-2-5-3-6-4-7(5)6/h1,5-7H,2-4H2/t5-,6-,7-/m0/s1",71.02956,74.49061999999999,
15237,[C:1]1([H:8])([H:9])[C@:2]2([H:10])[C@@:3]1([H:11])[C@:4]1([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[C@:7]21[H:17],[C:1]1([H:8])([H:9])[C:2]([H:10])=[C:7]([H:17])[C:6]([H:15])([H:16])[C:5]([H:13])([H:14])[C:4]([H:12])=[C:3]1[H:11],"InChI=1S/C7H10/c1-2-5-4(1)6-3-7(5)6/h4-7H,1-3H2/t4-,5+,6-,7+","InChI=1S/C7H10/c1-2-4-6-7-5-3-1/h1-2,5,7H,3-4,6H2",50.93892,-40.605909999999994,
15238,[C:1]1([H:8])([H:9])[C@:2]2([H:10])[C@@:3]1([H:11])[C@:4]1([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[C@:7]21[H:17],[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C@@:7]2([H:17])[C@@:4]([H:12])([C:3]1)[C:5]([H:13])([H:14])[C:6]2([H:15])[H:16],"InChI=1S/C7H10/c1-2-5-4(1)6-3-7(5)6/h4-7H,1-3H2/t4-,5+,6-,7+","InChI=1S/C7H10/c1-2-6-4-5-7(6)3-1/h6-7H,1-2,4-5H2/t6-,7+/m1/s1",57.38851,35.78528,
15239,[C:1]1([H:8])([H:9])[C@:2]2([H:10])[C@@:3]1([H:11])[C@:4]1([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[C@:7]21[H:17],[C:1]1([H:8])([H:9])[C:2]([C@@:7]2([H:17])[C:4][C:5]([H:13])([H:14])[C:6]2([H:15])[H:16])([H:10])[C:3]1([H:11])[H:12],"InChI=1S/C7H10/c1-2-5-4(1)6-3-7(5)6/h4-7H,1-3H2/t4-,5+,6-,7+","InChI=1S/C7H10/c1-2-6(3-1)7-4-5-7/h6-7H,1-2,4-5H2/t6-/m1/s1",71.13214,63.418780000000005,
15240,[C:1]1([H:8])([H:9])[C@:2]2([H:10])[C@@:3]1([H:11])[C@:4]1([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[C@:7]21[H:17],[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[C@:3]1([H:11])[C@:4]([C:5]([H:13])([H:14])[H:15])([H:12])[C@:7]2([C:6][H:16])[H:17],"InChI=1S/C7H10/c1-2-5-4(1)6-3-7(5)6/h4-7H,1-3H2/t4-,5+,6-,7+","InChI=1S/C7H10/c1-4-5(2)7-3-6(4)7/h1,4-7H,3H2,2H3/t4-,5+,6-,7+/m1/s1",73.14707,68.56826,
15241,[C:1]1([H:8])([H:9])[C@:2]2([H:10])[C@@:3]1([H:11])[C@:4]1([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[C@:7]21[H:17],[C:1](=[C:3]([C@@:4]1([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[C@:7]1([C:2][H:10])[H:17])[H:11])([H:8])[H:9],"InChI=1S/C7H10/c1-2-5-4(1)6-3-7(5)6/h4-7H,1-3H2/t4-,5+,6-,7+","InChI=1S/C7H10/c1-3-7-5-4-6(7)2/h2-3,6-7H,1,4-5H2/t6-,7+/m1/s1",56.33668,60.598530000000004,
15242,[C:1]1([H:8])([H:9])[C@:2]2([H:10])[C@@:3]1([H:11])[C@:4]1([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])([H:16])[C@:7]21[H:17],[C:1]1([H:8])([H:9])[C+:2]2[C@:3]1([H:11])[C@@:4]1([H:12])[C:5]([H:13])([H:14])[C-:6]([H:15])[C@@:7]21[H:17].[H:10][H:16],"InChI=1S/C7H10/c1-2-5-4(1)6-3-7(5)6/h4-7H,1-3H2/t4-,5+,6-,7+","InChI=1S/C7H8.H2/c1-2-5-4(1)6-3-7(5)6;/h1,4-5,7H,2-3H2;1H/t4-,5+,7+;/m1./s1",105.6304,97.83775,
15243,[N:1]([c:2]1[n:3][c:4]([O:5][H:10])[c:6]([H:11])[n:7]1[H:12])([H:8])[H:9],[N+:1](=[c:2]1[n:3]([H:10])[c:4]([O-:5])[c:6]([H:11])[n:7]1[H:12])([H:8])[H:9],"InChI=1S/C3H5N3O/c4-3-5-1-2(7)6-3/h1,7H,(H3,4,5,6)","InChI=1S/C3H5N3O/c4-3-5-1-2(7)6-3/h1,7H,(H3,4,5,6)",39.918420000000005,11.15194,
15244,[N:1]([c:2]1[n:3][c:4]([O:5][H:10])[c:6]([H:11])[n:7]1[H:12])([H:8])[H:9],[N:1]([C:2]1=[N:3][C:4](=[O:5])[C:6]([H:10])([H:11])[N:7]1[H:12])([H:8])[H:9],"InChI=1S/C3H5N3O/c4-3-5-1-2(7)6-3/h1,7H,(H3,4,5,6)","InChI=1S/C3H5N3O/c4-3-5-1-2(7)6-3/h1H2,(H3,4,5,6,7)",50.54545,-8.92267,ketoenol
15245,[N:1]([c:2]1[n:3][c:4]([O:5][H:10])[c:6]([H:11])[n:7]1[H:12])([H:8])[H:9],[N:1]([C@@:2]1([H:12])[N:3]=[C:4]([O:5][H:10])[C:6]([H:11])=[N:7]1)([H:8])[H:9],"InChI=1S/C3H5N3O/c4-3-5-1-2(7)6-3/h1,7H,(H3,4,5,6)","InChI=1S/C3H5N3O/c4-3-5-1-2(7)6-3/h1,3H,4H2,(H,6,7)/t3-/m1/s1",43.23015,14.036629999999999,
15246,[N:1]([c:2]1[n:3][c:4]([O:5][H:10])[c:6]([H:11])[n:7]1[H:12])([H:8])[H:9],[N:1](/[N:3]=[C:2]1/[C:4]([O:5][H:10])=[C:6]([H:11])[N:7]1[H:12])([H:8])[H:9],"InChI=1S/C3H5N3O/c4-3-5-1-2(7)6-3/h1,7H,(H3,4,5,6)","InChI=1S/C3H5N3O/c4-6-3-2(7)1-5-3/h1,7H,4H2,(H,5,6)",138.68622,69.20355,
15247,[N:1]([c:2]1[n:3][c:4]([O:5][H:10])[c:6]([H:11])[n:7]1[H:12])([H:8])[H:9],[N+:1]([c-:2]1[n-:3][c+:4]([O:5][H:10])[c:6]([H:11])[n:7]1)([H:8])([H:9])[H:12],"InChI=1S/C3H5N3O/c4-3-5-1-2(7)6-3/h1,7H,(H3,4,5,6)","InChI=1S/C3H5N3O/c4-3-5-1-2(7)6-3/h1,7H,4H3",48.193870000000004,40.72118,
15248,[N:1]([c:2]1[n:3][c:4]([O:5][H:10])[c:6]([H:11])[n:7]1[H:12])([H:8])[H:9],[N:1]([C:2]1=[N+:3]=[C-:4][C@:6]([O:5][H:10])([H:11])[N:7]1[H:12])([H:8])[H:9],"InChI=1S/C3H5N3O/c4-3-5-1-2(7)6-3/h1,7H,(H3,4,5,6)","InChI=1S/C3H5N3O/c4-3-5-1-2(7)6-3/h2,6-7H,4H2/t2-/m1/s1",89.14721999999999,60.65878000000001,
15249,[N:1]([c:2]1[n:3][c:4]([O:5][H:10])[c:6]([H:11])[n:7]1[H:12])([H:8])[H:9],[N:1]([C:2]=1[N:3]=[C:4]([O:5][H:10])[C:6]([H:11])([H:12])[N:7]1)([H:8])[H:9],"InChI=1S/C3H5N3O/c4-3-5-1-2(7)6-3/h1,7H,(H3,4,5,6)","InChI=1S/C3H5N3O/c4-3-5-1-2(7)6-3/h1H2,(H3,4,5,6,7)",38.905229999999996,-1.55111,
15250,[N:1]([c:2]1[n:3][c:4]([O:5][H:10])[c:6]([H:11])[n:7]1[H:12])([H:8])[H:9],[N:1](=[C:2]1[N:3]=[C:4]([O:5][H:10])[C-:6]([H:11])[N+:7]1([H:9])[H:12])[H:8],"InChI=1S/C3H5N3O/c4-3-5-1-2(7)6-3/h1,7H,(H3,4,5,6)","InChI=1S/C3H5N3O/c4-3-5-1-2(7)6-3/h1H,5H2,(H2,4,6,7)",62.75323,34.99803,
15251,[N:1]([c:2]1[n:3][c:4]([O:5][H:10])[c:6]([H:11])[n:7]1[H:12])([H:8])[H:9],[N:1]([C:2]1=[N:3][C:4]([O:5][H:10])=[C-:6][N+:7]1([H:11])[H:12])([H:8])[H:9],"InChI=1S/C3H5N3O/c4-3-5-1-2(7)6-3/h1,7H,(H3,4,5,6)","InChI=1S/C3H5N3O/c4-3-5-1-2(7)6-3/h7H,5H2,(H2,4,6)",87.4554,82.48964000000001,
15252,[N:1]([c:2]1[n:3][c:4]([O:5][H:10])[c:6]([H:11])[n:7]1[H:12])([H:8])[H:9],[N:1]([C@:6]1([H:11])[C:4](=[O+:5][H:10])[N:3]=[C-:2][N:7]1[H:12])([H:8])[H:9],"InChI=1S/C3H5N3O/c4-3-5-1-2(7)6-3/h1,7H,(H3,4,5,6)","InChI=1S/C3H4N3O/c4-2-3(7)6-1-5-2/h2H,4H2,(H,5,6,7)/q-1/p+1/t2-/m0/s1",115.7209,53.42074,
15253,[N:1]([c:2]1[n:3][c:4]([O:5][H:10])[c:6]([H:11])[n:7]1[H:12])([H:8])[H:9],[N:1]([C:2]1=[N:3][C@@:4]([O:5][H:10])([H:11])[C-:6]=[N+:7]1[H:12])([H:8])[H:9],"InChI=1S/C3H5N3O/c4-3-5-1-2(7)6-3/h1,7H,(H3,4,5,6)","InChI=1S/C3H5N3O/c4-3-5-1-2(7)6-3/h2,5,7H,(H2,4,6)/t2-/m1/s1",60.15792,54.68402,Singlet_Carbene_Intra_Disproportionation
15254,[N:1]([c:2]1[n:3][c:4]([O:5][H:10])[c:6]([H:11])[n:7]1[H:12])([H:8])[H:9],[C:4]([O:5][H:10])/[C:6](=[N:7]/[H:12])[H:11].[N:1]([C:2]#[N:3])([H:8])[H:9],"InChI=1S/C3H5N3O/c4-3-5-1-2(7)6-3/h1,7H,(H3,4,5,6)","InChI=1S/C2H3NO.CH2N2/c3-1-2-4;2-1-3/h1,3-4H;2H2/b3-1+;",80.86242,97.23954,
15255,[N:1]([c:2]1[n:3][c:4]([O:5][H:10])[c:6]([H:11])[n:7]1[H:12])([H:8])[H:9],[N:1](=[C:2]1[N:3]=[C:4]([O:5][H:10])[C:6]([H:9])([H:11])[N:7]1[H:12])[H:8],"InChI=1S/C3H5N3O/c4-3-5-1-2(7)6-3/h1,7H,(H3,4,5,6)","InChI=1S/C3H5N3O/c4-3-5-1-2(7)6-3/h1H2,(H3,4,5,6,7)",78.10545,0.76097,
15256,[N:1]([c:2]1[n:3][c:4]([O:5][H:10])[c:6]([H:11])[n:7]1[H:12])([H:8])[H:9],[N:1](=[c:2]1/[n:3]([H:8])[c:4]([O:5][H:10])[c:6]([H:11])[n:7]1[H:12])\[H:9],"InChI=1S/C3H5N3O/c4-3-5-1-2(7)6-3/h1,7H,(H3,4,5,6)","InChI=1S/C3H5N3O/c4-3-5-1-2(7)6-3/h1,7H,(H3,4,5,6)",52.673719999999996,14.34275,
15257,[N:1]([c:2]1[n:3][c:4]([O:5][H:10])[c:6]([H:11])[n:7]1[H:12])([H:8])[H:9],[N:1]([C:2]([N:3]=[C:4]=[C:6]([O:5][H:10])[H:11])=[N:7][H:12])([H:8])[H:9],"InChI=1S/C3H5N3O/c4-3-5-1-2(7)6-3/h1,7H,(H3,4,5,6)","InChI=1S/C3H5N3O/c4-3(5)6-1-2-7/h2,7H,(H3,4,5)",88.10195999999999,40.63263,
15258,[N:1]([c:2]1[n:3][c:4]([O:5][H:10])[c:6]([H:11])[n:7]1[H:12])([H:8])[H:9],[N:1]([C@:4]([N+:3]#[C-:2])([O:5][H:10])/[C:6](=[N:7]/[H:12])[H:11])([H:8])[H:9],"InChI=1S/C3H5N3O/c4-3-5-1-2(7)6-3/h1,7H,(H3,4,5,6)","InChI=1S/C3H5N3O/c1-6-3(5,7)2-4/h2,4,7H,5H2/b4-2+/t3-/m1/s1",94.70916,51.58958,
15259,[N:1]([c:2]1[n:3][c:4]([O:5][H:10])[c:6]([H:11])[n:7]1[H:12])([H:8])[H:9],[N:1]([C:2]#[N+:3][C-:4]([O:5][H:10])/[C:6](=[N:7]/[H:12])[H:11])([H:8])[H:9],"InChI=1S/C3H5N3O/c4-3-5-1-2(7)6-3/h1,7H,(H3,4,5,6)","InChI=1S/C3H5N3O/c4-1-3(7)6-2-5/h1,4,7H,5H2/b4-1+",40.45114,42.95823,
15260,[N:1]([c:2]1[n:3][c:4]([O:5][H:10])[c:6]([H:11])[n:7]1[H:12])([H:8])[H:9],[N:1]([C@:2]12[N:3]=[C:4]([O:5][H:10])[C@@:6]1([H:11])[N:7]2[H:12])([H:8])[H:9],"InChI=1S/C3H5N3O/c4-3-5-1-2(7)6-3/h1,7H,(H3,4,5,6)","InChI=1S/C3H5N3O/c4-3-1(5-3)2(7)6-3/h1,5H,4H2,(H,6,7)/t1-,3-/m1/s1",79.27486999999999,71.08801,
15261,[C:1]([C@@:2]1([H:11])[O:3][C@@:4]2([H:12])[C:5]([H:13])([H:14])[C@@:6]12[O:7][H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]([O+:3]=[C-:4][H:12])([C:6](=[C:5]([H:13])[H:14])[O:7][H:15])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-3-5(6)2-4(5)7-3/h3-4,6H,2H2,1H3/t3-,4+,5-/m1/s1","InChI=1S/C5H8O2/c1-4(6)5(2)7-3/h3,5-6H,1H2,2H3/t5-/m1/s1",41.92284,30.557290000000002,
15262,[C:1]([C@@:2]1([H:11])[O:3][C@@:4]2([H:12])[C:5]([H:13])([H:14])[C@@:6]12[O:7][H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])=[C:5]([H:13])[C@@:6]1([O:7][H:15])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-3-5(6)2-4(5)7-3/h3-4,6H,2H2,1H3/t3-,4+,5-/m1/s1","InChI=1S/C5H8O2/c1-4-5(6)2-3-7-4/h2-6H,1H3/t4-,5+/m1/s1",61.75893000000001,-35.31543,
15263,[C:1]([C@@:2]1([H:11])[O:3][C@@:4]2([H:12])[C:5]([H:13])([H:14])[C@@:6]12[O:7][H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[O:3][C@@:4]2([H:12])[C:5]([H:14])=[C:6]12)([H:8])([H:9])[H:10].[O:7]([H:13])[H:15],"InChI=1S/C5H8O2/c1-3-5(6)2-4(5)7-3/h3-4,6H,2H2,1H3/t3-,4+,5-/m1/s1","InChI=1S/C5H6O.H2O/c1-3-4-2-5(4)6-3;/h2-3,5H,1H3;1H2/t3-,5+;/m1./s1",80.57751999999999,64.76536,
15264,[C:1]([C@@:2]1([H:11])[O:3][C@@:4]2([H:12])[C:5]([H:13])([H:14])[C@@:6]12[O:7][H:15])([H:8])([H:9])[H:10],[C:1](=[C:2]([C@:6]([C:5]([C:4](=[O:3])[H:12])([H:13])[H:14])([O:7][H:15])[H:8])[H:11])([H:9])[H:10],"InChI=1S/C5H8O2/c1-3-5(6)2-4(5)7-3/h3-4,6H,2H2,1H3/t3-,4+,5-/m1/s1","InChI=1S/C5H8O2/c1-2-5(7)3-4-6/h2,4-5,7H,1,3H2/t5-/m1/s1",66.39895,-26.43895,
15265,[C:1]([C@@:2]1([H:11])[O:3][C@@:4]2([H:12])[C:5]([H:13])([H:14])[C@@:6]12[O:7][H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[O:3][C:4]2=[C:6]1[C:5]2([H:13])[H:14])([H:8])([H:9])[H:10].[O:7]([H:12])[H:15],"InChI=1S/C5H8O2/c1-3-5(6)2-4(5)7-3/h3-4,6H,2H2,1H3/t3-,4+,5-/m1/s1","InChI=1S/C5H6O.H2O/c1-3-4-2-5(4)6-3;/h3H,2H2,1H3;1H2/t3-;/m1./s1",90.74065999999999,68.53291,
15266,[C:1]([C@@:2]1([H:11])[O:3][C@@:4]2([H:12])[C:5]([H:13])([H:14])[C@@:6]12[O:7][H:15])([H:8])([H:9])[H:10],[C-:2]1=[O+:3][C@@:4]2([H:12])[C:5]([H:13])([H:14])[C@@:6]12[O:7][H:15].[C:1]([H:8])([H:9])([H:10])[H:11],"InChI=1S/C5H8O2/c1-3-5(6)2-4(5)7-3/h3-4,6H,2H2,1H3/t3-,4+,5-/m1/s1","InChI=1S/C4H4O2.CH4/c5-4-1-3(4)6-2-4;/h3,5H,1H2;1H4/t3-,4+;/m0./s1",76.02879,64.95877,
15267,[C:1]([C@@:2]1([H:11])[O:3][C@@:4]2([H:12])[C:5]([H:13])([H:14])[C@@:6]12[O:7][H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[O:3][C:4]([H:12])([H:13])[C:5]([H:14])=[C:6]1[O:7][H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-3-5(6)2-4(5)7-3/h3-4,6H,2H2,1H3/t3-,4+,5-/m1/s1","InChI=1S/C5H8O2/c1-4-5(6)2-3-7-4/h2,4,6H,3H2,1H3/t4-/m1/s1",58.687380000000005,-33.74275,
15268,[C:1]([C@@:2]1([H:11])[O:3][C@@:4]2([H:12])[C:5]([H:13])([H:14])[C@@:6]12[O:7][H:15])([H:8])([H:9])[H:10],[C:1](=[C:2]([C@@:6]1([O:7][H:15])[C@:4]([O:3][H:8])([H:12])[C:5]1([H:13])[H:14])[H:11])([H:9])[H:10],"InChI=1S/C5H8O2/c1-3-5(6)2-4(5)7-3/h3-4,6H,2H2,1H3/t3-,4+,5-/m1/s1","InChI=1S/C5H8O2/c1-2-5(7)3-4(5)6/h2,4,6-7H,1,3H2/t4-,5-/m0/s1",54.26599,-14.84989,
15269,[C:1]([C@@:2]1([H:11])[O:3][C@@:4]2([H:12])[C:5]([H:13])([H:14])[C@@:6]12[O:7][H:15])([H:8])([H:9])[H:10],[C:1](=[C:2]([O:3][C@@:4]1([H:12])[C:5]([H:14])=[C:6]1[O:7][H:15])[H:11])([H:9])[H:10].[H:8][H:13],"InChI=1S/C5H8O2/c1-3-5(6)2-4(5)7-3/h3-4,6H,2H2,1H3/t3-,4+,5-/m1/s1","InChI=1S/C5H6O2.H2/c1-2-7-5-3-4(5)6;/h2-3,5-6H,1H2;1H/t5-;/m0./s1",75.30489,37.020990000000005,
15270,[C:1]([C@@:2]1([H:11])[O:3][C@@:4]2([H:12])[C:5]([H:13])([H:14])[C@@:6]12[O:7][H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[O+:3]=[C-:4][C@:6]1([C:5]([H:12])([H:13])[H:14])[O:7][H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-3-5(6)2-4(5)7-3/h3-4,6H,2H2,1H3/t3-,4+,5-/m1/s1","InChI=1S/C5H8O2/c1-4-5(2,6)3-7-4/h4,6H,1-2H3/t4-,5+/m1/s1",46.86914,28.75757,
15271,[C:1]([C@@:2]1([H:11])[O:3][C@@:4]2([H:12])[C:5]([H:13])([H:14])[C@@:6]12[O:7][H:15])([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:6](/[C:5]([C:4](=[O:3])[H:12])([H:13])[H:14])[O:7][H:15])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-3-5(6)2-4(5)7-3/h3-4,6H,2H2,1H3/t3-,4+,5-/m1/s1","InChI=1S/C5H8O2/c1-2-5(7)3-4-6/h2,4,7H,3H2,1H3/b5-2-",30.696270000000002,-38.6119,
15272,[C:1]([C@@:2]1([H:11])[O:3][C@@:4]2([H:12])[C:5]([H:13])([H:14])[C@@:6]12[O:7][H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]([O:3][H:12])([C@@:6]1([O:7][H:15])[C:4][C:5]1([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-3-5(6)2-4(5)7-3/h3-4,6H,2H2,1H3/t3-,4+,5-/m1/s1","InChI=1S/C5H8O2/c1-4(6)5(7)2-3-5/h4,6-7H,2H2,1H3/t4-,5+/m1/s1",63.077709999999996,60.11926999999999,
15273,[C:1]([C@@:2]1([H:11])[O:3][C@@:4]2([H:12])[C:5]([H:13])([H:14])[C@@:6]12[O:7][H:15])([H:8])([H:9])[H:10],[C:1]([C@:2]1([H:11])[O:3][C@@:4]([C:5]([H:13])([H:14])[H:15])([H:12])[C:6]1=[O:7])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-3-5(6)2-4(5)7-3/h3-4,6H,2H2,1H3/t3-,4+,5-/m1/s1","InChI=1S/C5H8O2/c1-3-5(6)4(2)7-3/h3-4H,1-2H3/t3-,4+",55.484030000000004,-30.52543,
15274,[C:1]([C@@:2]1([H:11])[O:3][C@@:4]2([H:12])[C:5]([H:13])([H:14])[C@@:6]12[O:7][H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[O:3][C@:6]12[C@@:4]([O:7][H:15])([H:12])[C:5]2([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-3-5(6)2-4(5)7-3/h3-4,6H,2H2,1H3/t3-,4+,5-/m1/s1","InChI=1S/C5H8O2/c1-3-5(7-3)2-4(5)6/h3-4,6H,2H2,1H3/t3-,4-,5+/m1/s1",80.08606999999999,2.9529900000000002,
15275,[C:1]([C@@:2]1([H:11])[O:3][C@@:4]2([H:12])[C:5]([H:13])([H:14])[C@@:6]12[O:7][H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[O:3][C@:4]([C:5]([O:7][H:15])([H:13])[H:14])([H:12])[C:6]1)([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-3-5(6)2-4(5)7-3/h3-4,6H,2H2,1H3/t3-,4+,5-/m1/s1","InChI=1S/C5H8O2/c1-4-2-5(3-6)7-4/h4-6H,3H2,1H3/t4-,5-/m1/s1",121.70573,61.352340000000005,
15276,[C:1]([C@@:2]1([H:11])[O:3][C@@:4]2([H:12])[C:5]([H:13])([H:14])[C@@:6]12[O:7][H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[O:3][C@:4]1([C:5]([C:6][O:7][H:15])([H:13])[H:14])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-3-5(6)2-4(5)7-3/h3-4,6H,2H2,1H3/t3-,4+,5-/m1/s1","InChI=1S/C5H8O2/c1-4-5(7-4)2-3-6/h4-6H,2H2,1H3/t4-,5+/m1/s1",51.68003,35.844120000000004,
15277,[C:1]([C@@:2]1([H:11])[O:3][C@@:4]2([H:12])[C:5]([H:13])([H:14])[C@@:6]12[O:7][H:15])([H:8])([H:9])[H:10],[C:1](=[C:2]([O:3][C@@:4]1([H:12])[C:5]([H:13])([H:14])[C:6]1=[O:7])[H:11])([H:9])[H:10].[H:8][H:15],"InChI=1S/C5H8O2/c1-3-5(6)2-4(5)7-3/h3-4,6H,2H2,1H3/t3-,4+,5-/m1/s1","InChI=1S/C5H6O2.H2/c1-2-7-5-3-4(5)6;/h2,5H,1,3H2;1H/t5-;/m0./s1",69.95598000000001,26.62015,
15278,[C:1]([C@@:2]1([H:11])[O:3][C@@:4]2([H:12])[C:5]([H:13])([H:14])[C@@:6]12[O:7][H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[O:3][C@:6]1([C:4](=[C:5]([H:13])[H:14])[H:12])[O:7][H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-3-5(6)2-4(5)7-3/h3-4,6H,2H2,1H3/t3-,4+,5-/m1/s1","InChI=1S/C5H8O2/c1-3-5(6)4(2)7-5/h3-4,6H,1H2,2H3/t4-,5+/m1/s1",44.816320000000005,-16.962970000000002,
15279,[C:1]([C@@:2]1([H:11])[O:3][C@@:4]2([H:12])[C:5]([H:13])([H:14])[C@@:6]12[O:7][H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]([O:3][C:4](=[C:5]([H:13])[H:14])[H:12])([C:6](=[O:7])[H:15])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-3-5(6)2-4(5)7-3/h3-4,6H,2H2,1H3/t3-,4+,5-/m1/s1","InChI=1S/C5H8O2/c1-3-7-5(2)4-6/h3-5H,1H2,2H3/t5-/m1/s1",61.07816,-20.97711,
15280,[C:1]([C@@:2]1([H:11])[O:3][C@@:4]2([H:12])[C:5]([H:13])([H:14])[C@@:6]12[O:7][H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]([O:3][C:4](=[C:5]([H:13])[H:14])[H:12])([C:6][O:7][H:15])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-3-5(6)2-4(5)7-3/h3-4,6H,2H2,1H3/t3-,4+,5-/m1/s1","InChI=1S/C5H8O2/c1-3-7-5(2)4-6/h3,5-6H,1H2,2H3/t5-/m1/s1",37.54006,29.95395,
15281,[N:1]#[C:2][C:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])=[C:6]([H:12])[C:7]1([H:13])[H:14],[N+:1](#[C-:2])[C:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])=[C:6]([H:12])[C:7]1([H:13])[H:14],"InChI=1S/C6H7N/c7-5-6-3-1-2-4-6/h1-2,6H,3-4H2","InChI=1S/C6H7N/c1-7-6-4-2-3-5-6/h2-3,6H,4-5H2",60.430780000000006,25.566,
15282,[N:1]#[C:2][C:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])=[C:6]([H:12])[C:7]1([H:13])[H:14],[N-:1]=[C:2]=[C:3]1[C:4]([H:9])([H:10])[C+:5]([H:11])[C:6]([H:8])([H:12])[C:7]1([H:13])[H:14],"InChI=1S/C6H7N/c7-5-6-3-1-2-4-6/h1-2,6H,3-4H2","InChI=1S/C6H7N/c7-5-6-3-1-2-4-6/h1H,2-4H2",71.28723000000001,64.99051,
15283,[N:1]#[C:2][C:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])=[C:6]([H:12])[C:7]1([H:13])[H:14],[N+:1]1=[C-:2][C@:3]2([H:8])[C:4]([H:9])([H:10])[C@:6]([H:12])([C:5]=1[H:11])[C:7]2([H:13])[H:14],"InChI=1S/C6H7N/c7-5-6-3-1-2-4-6/h1-2,6H,3-4H2","InChI=1S/C6H7N/c1-5-2-6(1)4-7-3-5/h3,5-6H,1-2H2/t5-,6+",115.63976000000001,85.79495,
15284,[N:1]#[C:2][C:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])=[C:6]([H:12])[C:7]1([H:13])[H:14],[N:1]#[C:2][C@:3]([C:4]([H:9])([H:10])[H:11])([C:7]([C:6](=[C:5])[H:12])([H:13])[H:14])[H:8],"InChI=1S/C6H7N/c7-5-6-3-1-2-4-6/h1-2,6H,3-4H2","InChI=1S/C6H7N/c1-3-4-6(2)5-7/h3,6H,4H2,2H3/t6-/m1/s1",78.41596,79.49159,
15285,[N:1]#[C:2][C:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])=[C:6]([H:12])[C:7]1([H:13])[H:14],[N:1]1=[C:2]2[C@@:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])=[C:6]([H:12])[C:7]2([H:13])[H:14],"InChI=1S/C6H7N/c7-5-6-3-1-2-4-6/h1-2,6H,3-4H2","InChI=1S/C6H7N/c1-2-4-6-5(3-1)7-6/h1-2,5H,3-4H2/t5-/m1/s1",99.80484,40.25392,
15286,[N:1]#[C:2][C:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])=[C:6]([H:12])[C:7]1([H:13])[H:14],[H:8][H:11].[N-:1]=[C:2]=[C:3]1[C:4]([H:9])([H:10])[C+:5]=[C:6]([H:12])[C:7]1([H:13])[H:14],"InChI=1S/C6H7N/c7-5-6-3-1-2-4-6/h1-2,6H,3-4H2","InChI=1S/C6H5N.H2/c7-5-6-3-1-2-4-6;/h1H,3-4H2;1H",120.41202,101.40158000000001,
15287,[N:1]#[C:2][C:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])=[C:6]([H:12])[C:7]1([H:13])[H:14],[N:1]1=[C:2]=[C:3]([H:8])[C:7]([H:13])([H:14])[C@@:6]1([C:5](=[C:4]([H:9])[H:10])[H:11])[H:12],"InChI=1S/C6H7N/c7-5-6-3-1-2-4-6/h1-2,6H,3-4H2","InChI=1S/C6H7N/c1-2-6-4-3-5-7-6/h2-3,6H,1,4H2/t6-/m0/s1",86.39915,85.63556,
15288,[N:1]#[C:2][C:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])=[C:6]([H:12])[C:7]1([H:13])[H:14],[N:1]#[C:2][C@@:6]1([H:12])[C+:5]([H:11])[C:4]([H:9])([H:10])[C-:3]([H:8])[C:7]1([H:13])[H:14],"InChI=1S/C6H7N/c7-5-6-3-1-2-4-6/h1-2,6H,3-4H2","InChI=1S/C6H7N/c7-5-6-3-1-2-4-6/h1,4,6H,2-3H2/t6-/m1/s1",84.68864,82.6414,
15289,[N:1]#[C:2][C:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])=[C:6]([H:12])[C:7]1([H:13])[H:14],[N:1]#[C:2][C@:3]1([H:8])[C:4]([H:9])([H:10])[C:5][C:6]([H:11])([H:12])[C:7]1([H:13])[H:14],"InChI=1S/C6H7N/c7-5-6-3-1-2-4-6/h1-2,6H,3-4H2","InChI=1S/C6H7N/c7-5-6-3-1-2-4-6/h6H,1,3-4H2/t6-/m0/s1",69.50218000000001,71.05405,Singlet_Carbene_Intra_Disproportionation
15290,[N:1]#[C:2][C:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])=[C:6]([H:12])[C:7]1([H:13])[H:14],[N:1]#[C:2][C@:3]1([H:8])[C@:6]([C:5](=[C:4]([H:9])[H:10])[H:11])([H:12])[C:7]1([H:13])[H:14],"InChI=1S/C6H7N/c7-5-6-3-1-2-4-6/h1-2,6H,3-4H2","InChI=1S/C6H7N/c1-2-5-3-6(5)4-7/h2,5-6H,1,3H2/t5-,6+/m0/s1",57.93631,20.16057,
15291,[N:1]#[C:2][C:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])=[C:6]([H:12])[C:7]1([H:13])[H:14],[N:1]#[C:2][C@:3]1([H:8])[C:4]([H:10])=[C:5]([H:11])[C:6]([H:9])([H:12])[C:7]1([H:13])[H:14],"InChI=1S/C6H7N/c7-5-6-3-1-2-4-6/h1-2,6H,3-4H2","InChI=1S/C6H7N/c7-5-6-3-1-2-4-6/h1,3,6H,2,4H2/t6-/m1/s1",75.51888000000001,0.86998,
15292,[N:1]#[C:2][C:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])=[C:6]([H:12])[C:7]1([H:13])[H:14],[C:3]1([H:8])=[C:4]([H:10])[C:5]([H:11])=[C:6]([H:12])[C:7]1([H:13])[H:14].[N:1](=[C:2])[H:9],"InChI=1S/C6H7N/c7-5-6-3-1-2-4-6/h1-2,6H,3-4H2","InChI=1S/C5H6.CHN/c1-2-4-5-3-1;1-2/h1-4H,5H2;2H",84.47505,42.88415,
15293,[N:1]#[C:2][C:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])=[C:6]([H:12])[C:7]1([H:13])[H:14],[N:1](=[C:2]1/[C@:3]2([H:8])[C:4]([H:9])([H:10])[C@@:5]1([H:11])[C:6][C:7]2([H:13])[H:14])\[H:12],"InChI=1S/C6H7N/c7-5-6-3-1-2-4-6/h1-2,6H,3-4H2","InChI=1S/C6H7N/c7-6-4-1-2-5(6)3-4/h4-5,7H,1,3H2/b7-6-/t4-,5+/m0/s1",112.93276999999999,99.19207,
15294,[N:1]#[C:2][C:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])=[C:6]([H:12])[C:7]1([H:13])[H:14],[H:9][H:11].[N:1]#[C:2][C@:3]1([H:8])[C:4]([H:10])=[C:5]=[C:6]([H:12])[C:7]1([H:13])[H:14],"InChI=1S/C6H7N/c7-5-6-3-1-2-4-6/h1-2,6H,3-4H2","InChI=1S/C6H5N.H2/c7-5-6-3-1-2-4-6;/h1,4,6H,3H2;1H/t6-;/m0./s1",101.28208000000001,90.86811999999999,
15295,[N:1]#[C:2][C:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])=[C:6]([H:12])[C:7]1([H:13])[H:14],[N-:1]=[C:2]1[C@:3]2([H:8])[C:4]([H:9])([H:10])[C@:6]([H:12])([C+:5]1[H:11])[C:7]2([H:13])[H:14],"InChI=1S/C6H7N/c7-5-6-3-1-2-4-6/h1-2,6H,3-4H2","InChI=1S/C6H7N/c7-6-3-4-1-5(6)2-4/h3-5H,1-2H2/t4-,5+",117.31846999999999,95.0737,
15296,[N:1]#[C:2][C:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])=[C:6]([H:12])[C:7]1([H:13])[H:14],[H:9][H:13].[N:1]#[C:2][C:3]1([H:8])[C:4]([H:10])=[C:5]([H:11])[C:6]([H:12])=[C:7]1[H:14],"InChI=1S/C6H7N/c7-5-6-3-1-2-4-6/h1-2,6H,3-4H2","InChI=1S/C6H5N.H2/c7-5-6-3-1-2-4-6;/h1-4,6H;1H",52.47425,27.87073,
15297,[N:1]#[C:2][C:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])=[C:6]([H:12])[C:7]1([H:13])[H:14],[N:1]1=[C:5]([H:11])[C:4]([H:9])([H:10])[C@@:3]2([H:8])[C:2]1=[C:6]([H:12])[C:7]2([H:13])[H:14],"InChI=1S/C6H7N/c7-5-6-3-1-2-4-6/h1-2,6H,3-4H2","InChI=1S/C6H7N/c1-2-6-5(1)3-4-7-6/h2,4-5H,1,3H2/t5-/m0/s1",109.82808,39.66492,
15298,[N:1]#[C:2][C:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])=[C:6]([H:12])[C:7]1([H:13])[H:14],[N:1](=[C:2]1/[C@:3]2([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])=[C:6]([H:12])[C@:7]12[H:14])\[H:13],"InChI=1S/C6H7N/c7-5-6-3-1-2-4-6/h1-2,6H,3-4H2","InChI=1S/C6H7N/c7-6-4-2-1-3-5(4)6/h1-2,4-5,7H,3H2/b7-6+/t4-,5+/m0/s1",97.56952,31.253079999999997,
15299,[N:1]#[C:2][C:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])=[C:6]([H:12])[C:7]1([H:13])[H:14],[N:1](=[C:2]=[C:3]1[C:4]([H:9])([H:10])[C:5]([H:11])=[C:6]([H:12])[C:7]1([H:13])[H:14])[H:8],"InChI=1S/C6H7N/c7-5-6-3-1-2-4-6/h1-2,6H,3-4H2","InChI=1S/C6H7N/c7-5-6-3-1-2-4-6/h1-2,7H,3-4H2",80.58285,18.4584,
15300,[N:1]#[C:2][C:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])=[C:6]([H:12])[C:7]1([H:13])[H:14],[N:1]#[C:2][C:3]1([H:8])[C:4]([H:9])([H:10])[C:6](=[C:5]([H:11])[H:12])[C:7]1([H:13])[H:14],"InChI=1S/C6H7N/c7-5-6-3-1-2-4-6/h1-2,6H,3-4H2","InChI=1S/C6H7N/c1-5-2-6(3-5)4-7/h6H,1-3H2",96.03153,18.22475,
15301,[N:1]#[C:2][C:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])=[C:6]([H:12])[C:7]1([H:13])[H:14],[H:8][H:10].[N:1]#[C:2][C:3]1=[C:4]([H:9])[C:5]([H:11])=[C:6]([H:12])[C:7]1([H:13])[H:14],"InChI=1S/C6H7N/c7-5-6-3-1-2-4-6/h1-2,6H,3-4H2","InChI=1S/C6H5N.H2/c7-5-6-3-1-2-4-6;/h1-3H,4H2;1H",96.71983,18.41796,
15302,[N:1]#[C:2][C:3]1([H:8])[C:4]([H:9])([H:10])[C:5]([H:11])=[C:6]([H:12])[C:7]1([H:13])[H:14],[N:1]#[C:2][C:3]([C:4](/[C:5](=[C:6](\[C:7][H:14])[H:12])[H:11])([H:9])[H:10])([H:8])[H:13],"InChI=1S/C6H7N/c7-5-6-3-1-2-4-6/h1-2,6H,3-4H2","InChI=1S/C6H7N/c1-2-3-4-5-6-7/h1-3H,4-5H2/b3-2-",82.31619,88.0547,
15303,[N:1](=[C:2]1\[O:3][C@@:4]2([H:9])[C:5]([H:10])([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14])\[H:8],[H:8][H:12].[N:1]#[C:2][O:3][C@@:4]1([H:9])[C:5]([H:10])([H:11])[C:6]([H:13])=[C:7]1[H:14],"InChI=1S/C5H7NO/c6-5-3-1-2-4(3)7-5/h3-4,6H,1-2H2/b6-5-/t3-,4+/m1/s1","InChI=1S/C5H5NO.H2/c6-4-7-5-2-1-3-5;/h1-2,5H,3H2;1H/t5-;/m1./s1",80.67645999999999,36.37917,
15304,[N:1](=[C:2]1\[O:3][C@@:4]2([H:9])[C:5]([H:10])([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14])\[H:8],[N:1]1([H:8])[C:2](=[O:3])[C@@:7]1([C:4]1([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])[H:14],"InChI=1S/C5H7NO/c6-5-3-1-2-4(3)7-5/h3-4,6H,1-2H2/b6-5-/t3-,4+/m1/s1","InChI=1S/C5H7NO/c7-5-4(6-5)3-1-2-3/h3-4H,1-2H2,(H,6,7)/t4-/m0/s1",48.93851,11.04055,
15305,[N:1](=[C:2]1\[O:3][C@@:4]2([H:9])[C:5]([H:10])([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14])\[H:8],[N:1](=[C:2]1/[C@@:5]2([H:10])[C@:4]([O:3][H:11])([H:9])[C@:7]1([H:14])[C:6]2([H:12])[H:13])\[H:8],"InChI=1S/C5H7NO/c6-5-3-1-2-4(3)7-5/h3-4,6H,1-2H2/b6-5-/t3-,4+/m1/s1","InChI=1S/C5H7NO/c6-4-2-1-3(4)5(2)7/h2-3,5-7H,1H2/b6-4-/t2-,3+,5+/m0/s1",133.92873,25.33108,
15306,[N:1](=[C:2]1\[O:3][C@@:4]2([H:9])[C:5]([H:10])([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14])\[H:8],[N:1](=[C:2]=[C:7]1[C@:4]([O:3][H:14])([H:9])[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13])[H:8],"InChI=1S/C5H7NO/c6-5-3-1-2-4(3)7-5/h3-4,6H,1-2H2/b6-5-/t3-,4+/m1/s1","InChI=1S/C5H7NO/c6-3-4-1-2-5(4)7/h5-7H,1-2H2/t5-/m0/s1",101.15044,8.36458,
15307,[N:1](=[C:2]1\[O:3][C@@:4]2([H:9])[C:5]([H:10])([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14])\[H:8],[N:1]([C:2]1=[C:7]2[C@@:4]([H:9])([O:3]1)[C:5]([H:10])([H:11])[C:6]2([H:12])[H:13])([H:8])[H:14],"InChI=1S/C5H7NO/c6-5-3-1-2-4(3)7-5/h3-4,6H,1-2H2/b6-5-/t3-,4+/m1/s1","InChI=1S/C5H7NO/c6-5-3-1-2-4(3)7-5/h4H,1-2,6H2/t4-/m0/s1",80.95277,35.0021,
15308,[N:1](=[C:2]1\[O:3][C@@:4]2([H:9])[C:5]([H:10])([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14])\[H:8],[C:4]1([H:9])=[C:7]([H:14])[C:6]([H:12])([H:13])[C:5]1([H:10])[H:11].[N:1](=[C:2]=[O:3])[H:8],"InChI=1S/C5H7NO/c6-5-3-1-2-4(3)7-5/h3-4,6H,1-2H2/b6-5-/t3-,4+/m1/s1","InChI=1S/C4H6.CHNO/c1-2-4-3-1;2-1-3/h1-2H,3-4H2;2H",38.73226,-4.6044599999999996,2+2_cycloaddition
15309,[N:1](=[C:2]1\[O:3][C@@:4]2([H:9])[C:5]([H:10])([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14])\[H:8],[N:1](=[C:2]=[C:7]([C:6]([C:5]([C:4](=[O:3])[H:9])([H:10])[H:11])([H:12])[H:13])[H:14])[H:8],"InChI=1S/C5H7NO/c6-5-3-1-2-4(3)7-5/h3-4,6H,1-2H2/b6-5-/t3-,4+/m1/s1","InChI=1S/C5H7NO/c6-4-2-1-3-5-7/h2,5-6H,1,3H2",33.21606,-5.02201,
15310,[N:1](=[C:2]1\[O:3][C@@:4]2([H:9])[C:5]([H:10])([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14])\[H:8],[N:1]1([H:8])[C:2]2=[O+:3][C-:4]([H:9])[C:5]([H:10])([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14],"InChI=1S/C5H7NO/c6-5-3-1-2-4(3)7-5/h3-4,6H,1-2H2/b6-5-/t3-,4+/m1/s1","InChI=1S/C5H7NO/c1-2-4-5(6-4)7-3-1/h3-4,6H,1-2H2/t4-/m1/s1",77.91395,61.924519999999994,
15311,[N:1](=[C:2]1\[O:3][C@@:4]2([H:9])[C:5]([H:10])([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14])\[H:8],[N:1](=[C:2]1\[O:3][C:4]([H:9])([H:14])[C:5]([H:10])([H:11])[C:6]([H:12])([H:13])[C:7]1)\[H:8],"InChI=1S/C5H7NO/c6-5-3-1-2-4(3)7-5/h3-4,6H,1-2H2/b6-5-/t3-,4+/m1/s1","InChI=1S/C5H7NO/c6-5-3-1-2-4-7-5/h6H,1-2,4H2/b6-5-",65.73588000000001,54.80734,
15312,[N:1](=[C:2]1\[O:3][C@@:4]2([H:9])[C:5]([H:10])([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14])\[H:8],[N:1](=[C:2]1\[O+:3]=[C-:4][C:5]([H:10])([H:11])[C:6]([H:12])([H:13])[C:7]1([H:9])[H:14])\[H:8],"InChI=1S/C5H7NO/c6-5-3-1-2-4(3)7-5/h3-4,6H,1-2H2/b6-5-/t3-,4+/m1/s1","InChI=1S/C5H7NO/c6-5-3-1-2-4-7-5/h6H,1-3H2/b6-5-",60.48559,27.66191,
15313,[N:1](=[C:2]1\[O:3][C@@:4]2([H:9])[C:5]([H:10])([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14])\[H:8],[N:1](=[C:2]1\[O:3][C@:7]1([C:6]([C:5]([C:4][H:9])([H:10])[H:11])([H:12])[H:13])[H:14])\[H:8],"InChI=1S/C5H7NO/c6-5-3-1-2-4(3)7-5/h3-4,6H,1-2H2/b6-5-/t3-,4+/m1/s1","InChI=1S/C5H7NO/c1-2-3-4-5(6)7-4/h1,4,6H,2-3H2/b6-5-/t4-/m0/s1",96.14112,90.51335999999999,
15314,[N:1](=[C:2]1\[O:3][C@@:4]2([H:9])[C:5]([H:10])([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14])\[H:8],[C-:2]#[O+:3].[N:1]1([H:8])[C-:4]([H:9])[C:5]([H:10])([H:11])[C:6]([H:12])([H:13])[C+:7]1[H:14],"InChI=1S/C5H7NO/c6-5-3-1-2-4(3)7-5/h3-4,6H,1-2H2/b6-5-/t3-,4+/m1/s1","InChI=1S/C4H7N.CO/c1-2-4-5-3-1;1-2/h3-5H,1-2H2;",114.19663,20.10451,
15315,[N:1](=[C:2]1\[O:3][C@@:4]2([H:9])[C:5]([H:10])([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14])\[H:8],[N:1](=[C:2]1\[O+:3]=[C-:4][C@:7]1([C:6]([C:5]([H:9])([H:10])[H:11])([H:12])[H:13])[H:14])\[H:8],"InChI=1S/C5H7NO/c6-5-3-1-2-4(3)7-5/h3-4,6H,1-2H2/b6-5-/t3-,4+/m1/s1","InChI=1S/C5H7NO/c1-2-4-3-7-5(4)6/h4,6H,2H2,1H3/b6-5-/t4-/m1/s1",61.907090000000004,42.15251,
15316,[N:1](=[C:2]1\[O:3][C@@:4]2([H:9])[C:5]([H:10])([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14])\[H:8],[N:1](=[C:2](/[O:3][C@@:4]1([H:9])[C:5]([H:10])([H:11])[C:6]([H:13])=[C:7]1[H:14])[H:12])\[H:8],"InChI=1S/C5H7NO/c6-5-3-1-2-4(3)7-5/h3-4,6H,1-2H2/b6-5-/t3-,4+/m1/s1","InChI=1S/C5H7NO/c6-4-7-5-2-1-3-5/h1-2,4-6H,3H2/b6-4+/t5-/m1/s1",91.76311,11.297310000000001,
15317,[N:1](=[C:2]1\[O:3][C@@:4]2([H:9])[C:5]([H:10])([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14])\[H:8],[N:1](=[C:2])[H:8].[O:3]1[C@@:4]2([H:9])[C:5]([H:10])([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14],"InChI=1S/C5H7NO/c6-5-3-1-2-4(3)7-5/h3-4,6H,1-2H2/b6-5-/t3-,4+/m1/s1","InChI=1S/C4H6O.CHN/c1-2-4-3(1)5-4;1-2/h3-4H,1-2H2;2H/t3-,4+;",88.86893,52.91285,
15318,[N:1](=[C:2]1\[O:3][C@@:4]2([H:9])[C:5]([H:10])([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14])\[H:8],[N:1]1([H:8])[C:2]2=[C:7]([H:14])[C@@:4]([H:9])([O:3]2)[C:5]([H:10])([H:11])[C:6]1([H:12])[H:13],"InChI=1S/C5H7NO/c6-5-3-1-2-4(3)7-5/h3-4,6H,1-2H2/b6-5-/t3-,4+/m1/s1","InChI=1S/C5H7NO/c1-2-6-5-3-4(1)7-5/h3-4,6H,1-2H2/t4-/m0/s1",88.9809,51.12984,
15319,[N:1](=[C:2]1\[O:3][C@@:4]2([H:9])[C:5]([H:10])([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14])\[H:8],[N:1](=[C:2]1\[O:3][C@:4]([C:5][H:10])([H:9])[C@:7]1([C:6]([H:11])([H:12])[H:13])[H:14])\[H:8],"InChI=1S/C5H7NO/c6-5-3-1-2-4(3)7-5/h3-4,6H,1-2H2/b6-5-/t3-,4+/m1/s1","InChI=1S/C5H7NO/c1-3-4(2)7-5(3)6/h2-4,6H,1H3/b6-5-/t3-,4+/m1/s1",73.80428,71.16084000000001,
15320,[N:1](=[C:2]1\[O:3][C@@:4]2([H:9])[C:5]([H:10])([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14])\[H:8],[N:1](=[C:2]1\[O:3][C@:4]([C:5]([H:10])([H:11])[H:13])([H:9])[C@:7]1([C:6][H:12])[H:14])\[H:8],"InChI=1S/C5H7NO/c6-5-3-1-2-4(3)7-5/h3-4,6H,1-2H2/b6-5-/t3-,4+/m1/s1","InChI=1S/C5H7NO/c1-3-4(2)7-5(3)6/h1,3-4,6H,2H3/b6-5-/t3-,4+/m1/s1",75.96855,77.43613,
15321,[N:1](=[C:2]1\[O:3][C@@:4]2([H:9])[C:5]([H:10])([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14])\[H:8],[N:1](=[C:2]1\[O:3][C@:4]([C:5]([C:6][H:12])([H:10])[H:11])([H:9])[C:7]1([H:13])[H:14])\[H:8],"InChI=1S/C5H7NO/c6-5-3-1-2-4(3)7-5/h3-4,6H,1-2H2/b6-5-/t3-,4+/m1/s1","InChI=1S/C5H7NO/c1-2-4-3-5(6)7-4/h1,4,6H,2-3H2/b6-5-/t4-/m0/s1",77.18075,76.34743,
15322,[N:1](=[C:2]1\[O:3][C@@:4]2([H:9])[C:5]([H:10])([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14])\[H:8],[H:12][H:14].[N:1](=[C:2]1\[O:3][C@@:4]2([H:9])[C:5]([H:10])([H:11])[C:6]([H:13])=[C:7]12)\[H:8],"InChI=1S/C5H7NO/c6-5-3-1-2-4(3)7-5/h3-4,6H,1-2H2/b6-5-/t3-,4+/m1/s1","InChI=1S/C5H5NO.H2/c6-5-3-1-2-4(3)7-5;/h1,4,6H,2H2;1H/b6-5-;/t4-;/m0./s1",111.34733999999999,62.06021,
15323,[N:1](=[C:2]1\[O:3][C@@:4]2([H:9])[C:5]([H:10])([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14])\[H:8],[N:1](=[C:2](\[O:3][C:4](=[C:5]([H:10])[H:11])[H:9])[C:7](=[C:6]([H:12])[H:13])[H:14])\[H:8],"InChI=1S/C5H7NO/c6-5-3-1-2-4(3)7-5/h3-4,6H,1-2H2/b6-5-/t3-,4+/m1/s1","InChI=1S/C5H7NO/c1-3-5(6)7-4-2/h3-4,6H,1-2H2/b6-5-",64.96355,-3.65096,
15324,[N:1](=[C:2]1\[O:3][C@@:4]2([H:9])[C:5]([H:10])([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14])\[H:8],[H:8][H:14].[N:1]#[C:2][C@:7]12[O:3][C@@:4]1([H:9])[C:5]([H:10])([H:11])[C:6]2([H:12])[H:13],"InChI=1S/C5H7NO/c6-5-3-1-2-4(3)7-5/h3-4,6H,1-2H2/b6-5-/t3-,4+/m1/s1","InChI=1S/C5H5NO.H2/c6-3-5-2-1-4(5)7-5;/h4H,1-2H2;1H/t4-,5-;/m0./s1",101.58761,33.620909999999995,
15325,[N:1](=[C:2]1\[O:3][C@@:4]2([H:9])[C:5]([H:10])([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14])\[H:8],[N:1]1([H:8])[C:2](=[O:3])[C@@:7]2([H:14])[C:4]([H:9])([H:13])[C:5]([H:10])([H:11])[C@@:6]12[H:12],"InChI=1S/C5H7NO/c6-5-3-1-2-4(3)7-5/h3-4,6H,1-2H2/b6-5-/t3-,4+/m1/s1","InChI=1S/C5H7NO/c7-5-3-1-2-4(3)6-5/h3-4H,1-2H2,(H,6,7)/t3-,4+/m0/s1",90.22579,-13.30662,ketoenol
15326,[N:1](=[C:2]1\[O:3][C@@:4]2([H:9])[C:5]([H:10])([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14])\[H:8],[N:1](=[C:2]1\[C@:6]2([H:13])[C:5]([H:10])([H:11])[C@@:4]([O:3][H:12])([H:9])[C@:7]12[H:14])\[H:8],"InChI=1S/C5H7NO/c6-5-3-1-2-4(3)7-5/h3-4,6H,1-2H2/b6-5-/t3-,4+/m1/s1","InChI=1S/C5H7NO/c6-5-2-1-3(7)4(2)5/h2-4,6-7H,1H2/b6-5+/t2-,3+,4-/m1/s1",89.94121,19.34337,
15327,[N:1](=[C:2]1\[O:3][C@@:4]2([H:9])[C:5]([H:10])([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14])\[H:8],[H:9][H:13].[N:1](=[C:2]1\[O:3][C:4]23[C:5]([H:10])([H:11])[C@@:6]2([H:12])[C@@:7]13[H:14])\[H:8],"InChI=1S/C5H7NO/c6-5-3-1-2-4(3)7-5/h3-4,6H,1-2H2/b6-5-/t3-,4+/m1/s1","InChI=1S/C5H5NO.H2/c6-4-3-2-1-5(2,3)7-4;/h2-3,6H,1H2;1H/b6-4-;/t2-,3-,5?;/m0./s1",101.10724,86.15415,
15328,[N:1](=[C:2]1\[O:3][C@@:4]2([H:9])[C:5]([H:10])([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14])\[H:8],[N:1]([C:2]1=[O+:3][C-:4]2[C:5]([H:10])([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14])([H:8])[H:9],"InChI=1S/C5H7NO/c6-5-3-1-2-4(3)7-5/h3-4,6H,1-2H2/b6-5-/t3-,4+/m1/s1","InChI=1S/C5H7NO/c6-5-3-1-2-4(3)7-5/h3H,1-2,6H2/t3-/m1/s1",90.41915999999999,58.030919999999995,
15329,[N:1](=[C:2]1\[O:3][C@@:4]2([H:9])[C:5]([H:10])([H:11])[C:6]([H:12])([H:13])[C@@:7]12[H:14])\[H:8],[N:1](=[C:2](\[O:3][H:12])[C@:7]1([H:14])[C@@:4]2([H:9])[C:5]([H:10])([H:11])[C@:6]21[H:13])\[H:8],"InChI=1S/C5H7NO/c6-5-3-1-2-4(3)7-5/h3-4,6H,1-2H2/b6-5-/t3-,4+/m1/s1","InChI=1S/C5H7NO/c6-5(7)4-2-1-3(2)4/h2-4H,1H2,(H2,6,7)/t2-,3+,4+",58.01278000000001,8.818660000000001,
15330,[C:1]([C@@:2]([O:3][H:12])([C@@:4]([C:5]([H:14])([H:15])[H:16])([C:6]#[N:7])[H:13])[H:11])([H:8])([H:9])[H:10],[C:1](=[C:2]([C@@:4]([C:5]([H:14])([H:15])[H:16])([C:6]#[N:7])[H:13])[H:11])([H:8])[H:9].[O:3]([H:10])[H:12],"InChI=1S/C5H9NO/c1-4(3-6)5(2)7/h4-5,7H,1-2H3/t4-,5+/m0/s1","InChI=1S/C5H7N.H2O/c1-3-5(2)4-6;/h3,5H,1H2,2H3;1H2/t5-;/m1./s1",61.90501,16.21702,"1,3_Insertion_ROR"
15331,[C:1]([C@@:2]([O:3][H:12])([C@@:4]([C:5]([H:14])([H:15])[H:16])([C:6]#[N:7])[H:13])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2](=[O:3])[H:11])([H:8])([H:9])[H:10].[C:4](=[C:5]([H:14])[H:15])([C:6]#[N:7])[H:13].[H:12][H:16],"InChI=1S/C5H9NO/c1-4(3-6)5(2)7/h4-5,7H,1-2H3/t4-,5+/m0/s1","InChI=1S/C3H3N.C2H4O.H2/c1-2-3-4;1-2-3;/h2H,1H2;2H,1H3;1H",58.868109999999994,41.53828,
15332,[C:1]([C@@:2]([O:3][H:12])([C@@:4]([C:5]([H:14])([H:15])[H:16])([C:6]#[N:7])[H:13])[H:11])([H:8])([H:9])[H:10],[C:1]1([H:9])([H:10])[C@:2]([O:3][H:12])([H:11])[C@:4]([C:5]([H:14])([H:15])[H:16])([H:13])[C:6][N:7]1[H:8],"InChI=1S/C5H9NO/c1-4(3-6)5(2)7/h4-5,7H,1-2H3/t4-,5+/m0/s1","InChI=1S/C5H9NO/c1-4-2-6-3-5(4)7/h4-7H,3H2,1H3/t4-,5+/m0/s1",86.75476,49.89,
15333,[C:1]([C@@:2]([O:3][H:12])([C@@:4]([C:5]([H:14])([H:15])[H:16])([C:6]#[N:7])[H:13])[H:11])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:12].[C:2](=[O:3])([C@@:4]([C:5]([H:14])([H:15])[H:16])([C:6]#[N:7])[H:13])[H:11],"InChI=1S/C5H9NO/c1-4(3-6)5(2)7/h4-5,7H,1-2H3/t4-,5+/m0/s1","InChI=1S/C4H5NO.CH4/c1-4(2-5)3-6;/h3-4H,1H3;1H4/t4-;/m0./s1",76.39939,10.14107,
15334,[C:1]([C@@:2]([O:3][H:12])([C@@:4]([C:5]([H:14])([H:15])[H:16])([C:6]#[N:7])[H:13])[H:11])([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:4](/[C:5]([H:14])([H:15])[H:16])[H:13])[H:11])([H:8])([H:9])[H:10].[O:3]([N+:7]#[C-:6])[H:12],"InChI=1S/C5H9NO/c1-4(3-6)5(2)7/h4-5,7H,1-2H3/t4-,5+/m0/s1","InChI=1S/C4H8.CHNO/c1-3-4-2;1-2-3/h3-4H,1-2H3;3H/b4-3+;",92.2432,89.22437,
15335,[C:1]([C@@:2]([O:3][H:12])([C@@:4]([C:5]([H:14])([H:15])[H:16])([C:6]#[N:7])[H:13])[H:11])([H:8])([H:9])[H:10],[C:1]([C:4]([C:2](=[O:3])[H:11])([C:5]([H:14])([H:15])[H:16])[C:6]#[N:7])([H:8])([H:9])[H:10].[H:12][H:13],"InChI=1S/C5H9NO/c1-4(3-6)5(2)7/h4-5,7H,1-2H3/t4-,5+/m0/s1","InChI=1S/C5H7NO.H2/c1-5(2,3-6)4-7;/h4H,1-2H3;1H",76.10306,21.637620000000002,
15336,[C:1]([C@@:2]([O:3][H:12])([C@@:4]([C:5]([H:14])([H:15])[H:16])([C:6]#[N:7])[H:13])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]([O:3][H:12])([C@@:4]([C:5]([H:14])([H:15])[H:16])([N+:7]#[C-:6])[H:13])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-4(3-6)5(2)7/h4-5,7H,1-2H3/t4-,5+/m0/s1","InChI=1S/C5H9NO/c1-4(6-3)5(2)7/h4-5,7H,1-2H3/t4-,5-/m1/s1",58.009130000000006,24.770770000000002,
15337,[C:1]([C@@:2]([O:3][H:12])([C@@:4]([C:5]([H:14])([H:15])[H:16])([C:6]#[N:7])[H:13])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[O:3]/[C:6](=[N:7]\[H:12])[C@@:4]1([C:5]([H:14])([H:15])[H:16])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-4(3-6)5(2)7/h4-5,7H,1-2H3/t4-,5+/m0/s1","InChI=1S/C5H9NO/c1-3-4(2)7-5(3)6/h3-4,6H,1-2H3/b6-5-/t3-,4-/m1/s1",65.20178,6.652889999999999,
15338,[C:1]([C@@:2]([O:3][H:12])([C@@:4]([C:5]([H:14])([H:15])[H:16])([C:6]#[N:7])[H:13])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2](=[O:3])[C@@:4]([C:5]([H:14])([H:15])[H:16])([C:6]#[N:7])[H:13])([H:8])([H:9])[H:10].[H:11][H:12],"InChI=1S/C5H9NO/c1-4(3-6)5(2)7/h4-5,7H,1-2H3/t4-,5+/m0/s1","InChI=1S/C5H7NO.H2/c1-4(3-6)5(2)7;/h4H,1-2H3;1H/t4-;/m0./s1",77.34395,15.764420000000001,
15339,[C:1]([C@@:2]([O:3][H:12])([C@@:4]([C:5]([H:14])([H:15])[H:16])([C:6]#[N:7])[H:13])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]([O:3][H:12])([C+:4]=[C:6]=[N-:7])[H:11])([H:8])([H:9])[H:10].[C:5]([H:13])([H:14])([H:15])[H:16],"InChI=1S/C5H9NO/c1-4(3-6)5(2)7/h4-5,7H,1-2H3/t4-,5+/m0/s1","InChI=1S/C4H5NO.CH4/c1-4(6)2-3-5;/h4,6H,1H3;1H4/t4-;/m1./s1",78.15361999999999,6.5488599999999995,
15340,[C:1]([C@@:2]([O:3][H:12])([C@@:4]([C:5]([H:14])([H:15])[H:16])([C:6]#[N:7])[H:13])[H:11])([H:8])([H:9])[H:10],[C:1](/[C:2]([O:3][H:12])=[C:4](/[C:5]([H:14])([H:15])[H:16])[C:6]#[N:7])([H:8])([H:9])[H:10].[H:11][H:13],"InChI=1S/C5H9NO/c1-4(3-6)5(2)7/h4-5,7H,1-2H3/t4-,5+/m0/s1","InChI=1S/C5H7NO.H2/c1-4(3-6)5(2)7;/h7H,1-2H3;1H/b5-4+;",89.02156,15.434389999999999,
15341,[C:1]([C@@:2]([O:3][H:12])([C@@:4]([C:5]([H:14])([H:15])[H:16])([C:6]#[N:7])[H:13])[H:11])([H:8])([H:9])[H:10],[C:1](=[C:2]([O:3][H:12])[H:11])([H:8])[H:9].[C@@:4]1([C:5]([H:14])([H:15])[H:16])([H:13])[C:6]([H:10])=[N:7]1,"InChI=1S/C5H9NO/c1-4(3-6)5(2)7/h4-5,7H,1-2H3/t4-,5+/m0/s1","InChI=1S/C3H5N.C2H4O/c1-3-2-4-3;1-2-3/h2-3H,1H3;2-3H,1H2/t3-;/m1./s1",83.30136,59.687569999999994,
15342,[C:1]([C@@:2]([O:3][H:12])([C@@:4]([C:5]([H:14])([H:15])[H:16])([C:6]#[N:7])[H:13])[H:11])([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:4](\[C:6]#[N:7])[H:13])[H:11])([H:8])([H:9])[H:10].[O:3]([C:5]([H:14])([H:15])[H:16])[H:12],"InChI=1S/C5H9NO/c1-4(3-6)5(2)7/h4-5,7H,1-2H3/t4-,5+/m0/s1","InChI=1S/C4H5N.CH4O/c1-2-3-4-5;1-2/h2-3H,1H3;2H,1H3/b3-2-;",78.22756,22.14782,"1,3_Insertion_ROR"
15343,[C:1]([C@@:2]([O:3][H:12])([C@@:4]([C:5]([H:14])([H:15])[H:16])([C:6]#[N:7])[H:13])[H:11])([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:4](\[C:5]([H:14])([H:15])[H:16])[C:6]#[N:7])[H:11])([H:8])([H:9])[H:10].[O:3]([H:12])[H:13],"InChI=1S/C5H9NO/c1-4(3-6)5(2)7/h4-5,7H,1-2H3/t4-,5+/m0/s1","InChI=1S/C5H7N.H2O/c1-3-5(2)4-6;/h3H,1-2H3;1H2/b5-3+;",52.2628,7.79807,"1,3_Insertion_ROR"
15344,[C:1]([C@@:2]([O:3][H:12])([C@@:4]([C:5]([H:14])([H:15])[H:16])([C:6]#[N:7])[H:13])[H:11])([H:8])([H:9])[H:10],[C:1]([C@:2]1([H:11])[C@@:4]([C:6]#[N:7])([H:13])[C:5]1([H:14])[H:15])([H:8])([H:9])[H:10].[O:3]([H:12])[H:16],"InChI=1S/C5H9NO/c1-4(3-6)5(2)7/h4-5,7H,1-2H3/t4-,5+/m0/s1","InChI=1S/C5H7N.H2O/c1-4-2-5(4)3-6;/h4-5H,2H2,1H3;1H2/t4-,5-;/m0./s1",84.0827,17.79918,
15345,[C:1]([C@@:2]([O:3][H:12])([C@@:4]([C:5]([H:14])([H:15])[H:16])([C:6]#[N:7])[H:13])[H:11])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:11].[C:2]([O:3][H:12])[C@@:4]([C:5]([H:14])([H:15])[H:16])([C:6]#[N:7])[H:13],"InChI=1S/C5H9NO/c1-4(3-6)5(2)7/h4-5,7H,1-2H3/t4-,5+/m0/s1","InChI=1S/C4H5NO.CH4/c1-4(2-5)3-6;/h4,6H,1H3;1H4/t4-;/m0./s1",75.61106,68.2676,
15346,[C:1]([C@@:2]1([H:11])[O:3][C:4](=[O:5])[C:6]([H:12])=[C:7]1[H:13])([H:8])([H:9])[H:10],[C:1]([C:2](=[O:3])[H:11])([H:8])([H:9])[H:10].[c:4]1(=[O:5])[c:6]([H:12])[c:7]1[H:13],"InChI=1S/C5H6O2/c1-4-2-3-5(6)7-4/h2-4H,1H3/t4-/m1/s1","InChI=1S/C3H2O.C2H4O/c4-3-1-2-3;1-2-3/h1-2H;2H,1H3",85.07377,66.35817,
15347,[C:1]([C@@:2]1([H:11])[O:3][C:4](=[O:5])[C:6]([H:12])=[C:7]1[H:13])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:7]([H:13])[C:6]([H:11])([H:12])[C:4](=[O:5])[O:3]1)([H:8])([H:9])[H:10],"InChI=1S/C5H6O2/c1-4-2-3-5(6)7-4/h2-4H,1H3/t4-/m1/s1","InChI=1S/C5H6O2/c1-4-2-3-5(6)7-4/h2H,3H2,1H3",112.68953,-0.73268,
15348,[C:1]([C@@:2]1([H:11])[O:3][C:4](=[O:5])[C:6]([H:12])=[C:7]1[H:13])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[O:3][C:4](=[O:5])[C:6]([H:12])([H:13])[C:7]1)([H:8])([H:9])[H:10],"InChI=1S/C5H6O2/c1-4-2-3-5(6)7-4/h2-4H,1H3/t4-/m1/s1","InChI=1S/C5H6O2/c1-4-2-3-5(6)7-4/h4H,3H2,1H3/t4-/m1/s1",73.03293000000001,75.32301,Singlet_Carbene_Intra_Disproportionation
15349,[C:1]([C@@:2]1([H:11])[O:3][C:4](=[O:5])[C:6]([H:12])=[C:7]1[H:13])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:7]([C:6](=[C:4]=[O+:5][O-:3])[H:12])[H:13])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H6O2/c1-4-2-3-5(6)7-4/h2-4H,1H3/t4-/m1/s1","InChI=1S/C5H6O2/c1-2-3-4-5-7-6/h2-4H,1H3",144.79254,143.5546,
15350,[C:1]([C@@:2]1([H:11])[O:3][C:4](=[O:5])[C:6]([H:12])=[C:7]1[H:13])([H:8])([H:9])[H:10],[C:1]([C:2](=[O:3])[C:7]([C:6](=[C:4]=[O:5])[H:12])([H:11])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H6O2/c1-4-2-3-5(6)7-4/h2-4H,1H3/t4-/m1/s1","InChI=1S/C5H6O2/c1-5(7)3-2-4-6/h2H,3H2,1H3",41.12862,15.34784,
15351,[C:1]([C@@:2]1([H:11])[O:3][C:4](=[O:5])[C:6]([H:12])=[C:7]1[H:13])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[O:3][C:4]([O:5][H:12])=[C:6]=[C:7]1[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H6O2/c1-4-2-3-5(6)7-4/h2-4H,1H3/t4-/m1/s1","InChI=1S/C5H6O2/c1-4-2-3-5(6)7-4/h2,4,6H,1H3/t4-/m1/s1",75.79979,56.80396,ketoenol
15352,[C:1]([C@@:2]1([H:11])[O:3][C:4](=[O:5])[C:6]([H:12])=[C:7]1[H:13])([H:8])([H:9])[H:10],[C:1](=[C:2]([O:3][C:4](=[O:5])[C:6](=[C:7]([H:10])[H:13])[H:12])[H:11])([H:8])[H:9],"InChI=1S/C5H6O2/c1-4-2-3-5(6)7-4/h2-4H,1H3/t4-/m1/s1","InChI=1S/C5H6O2/c1-3-5(6)7-4-2/h3-4H,1-2H2",74.97028,23.15116,
15353,[C:1]([C@@:2]1([H:11])[O:3][C:4](=[O:5])[C:6]([H:12])=[C:7]1[H:13])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[O:3][C:4]([O-:5])=[C+:6][C:7]1([H:12])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H6O2/c1-4-2-3-5(6)7-4/h2-4H,1H3/t4-/m1/s1","InChI=1S/C5H6O2/c1-4-2-3-5(6)7-4/h4H,2H2,1H3/t4-/m1/s1",79.42473000000001,82.40061,Singlet_Carbene_Intra_Disproportionation
15354,[C:1]([C@@:2]1([H:11])[O:3][C:4](=[O:5])[C:6]([H:12])=[C:7]1[H:13])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[O:3][C@:7]1([C:6](=[C:4]=[O:5])[H:12])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H6O2/c1-4-2-3-5(6)7-4/h2-4H,1H3/t4-/m1/s1","InChI=1S/C5H6O2/c1-4-5(7-4)2-3-6/h2,4-5H,1H3/t4-,5+/m1/s1",63.3806,42.51506,
15355,[C:1]([C@@:2]1([H:11])[O:3][C:4](=[O:5])[C:6]([H:12])=[C:7]1[H:13])([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:7](/[C@@:6]1([H:12])[C:4](=[O:3])[O:5]1)[H:13])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H6O2/c1-4-2-3-5(6)7-4/h2-4H,1H3/t4-/m1/s1","InChI=1S/C5H6O2/c1-2-3-4-5(6)7-4/h2-4H,1H3/b3-2+/t4-/m0/s1",47.207359999999994,33.31516,
15356,[C:1]([C@@:2]1([H:11])[O:3][C:4](=[O:5])[C:6]([H:12])=[C:7]1[H:13])([H:8])([H:9])[H:10],[C:1]([c:2]1[o:3][c:4]([O:5][H:11])[c:6]([H:12])[c:7]1[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H6O2/c1-4-2-3-5(6)7-4/h2-4H,1H3/t4-/m1/s1","InChI=1S/C5H6O2/c1-4-2-3-5(6)7-4/h2-3,6H,1H3",98.70329,9.21546,
15357,[C:1]([C@@:2]1([H:11])[O:3][C:4](=[O:5])[C:6]([H:12])=[C:7]1[H:13])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[O:3][C:4](=[O:5])[C:6]#[C:7]1)([H:8])([H:9])[H:10].[H:12][H:13],"InChI=1S/C5H6O2/c1-4-2-3-5(6)7-4/h2-4H,1H3/t4-/m1/s1","InChI=1S/C5H4O2.H2/c1-4-2-3-5(6)7-4;/h4H,1H3;1H/t4-;/m1./s1",114.5018,112.76281999999999,
15358,[C:1]([C@@:2]1([H:11])[O:3][C:4](=[O:5])[C:6]([H:12])=[C:7]1[H:13])([H:8])([H:9])[H:10],[C:1]([C:2]([C:7]#[C:6][H:12])([H:11])[H:13])([H:8])([H:9])[H:10].[O:3]=[C:4]=[O:5],"InChI=1S/C5H6O2/c1-4-2-3-5(6)7-4/h2-4H,1H3/t4-/m1/s1","InChI=1S/C4H6.CO2/c1-3-4-2;2-1-3/h1H,4H2,2H3;",80.73091,19.3494,
15359,[C:1]([C@@:2]1([H:11])[O:3][C:4](=[O:5])[C:6]([H:12])=[C:7]1[H:13])([H:8])([H:9])[H:10],[C:1]([O:3]/[C:2](=[C:7](\[C:6](=[C:4]=[O:5])[H:12])[H:13])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H6O2/c1-4-2-3-5(6)7-4/h2-4H,1H3/t4-/m1/s1","InChI=1S/C5H6O2/c1-7-5-3-2-4-6/h2-3,5H,1H3/b5-3-",85.21070999999999,36.83283,
15360,[C:1]([C@@:2]1([H:11])[O:3][C:4](=[O:5])[C:6]([H:12])=[C:7]1[H:13])([H:8])([H:9])[H:10],[C:1]([C@@:7]([C:2](=[O:3])[H:11])([C:6](=[C:4]=[O:5])[H:12])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H6O2/c1-4-2-3-5(6)7-4/h2-4H,1H3/t4-/m1/s1","InChI=1S/C5H6O2/c1-5(4-7)2-3-6/h2,4-5H,1H3/t5-/m1/s1",49.63673,21.883229999999998,
15361,[C:1]([C@@:2]1([H:11])[O:3][C:4](=[O:5])[C:6]([H:12])=[C:7]1[H:13])([H:8])([H:9])[H:10],[C:1](/[C:2]([O:3][H:11])=[C:7](/[C:6](=[C:4]=[O:5])[H:12])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H6O2/c1-4-2-3-5(6)7-4/h2-4H,1H3/t4-/m1/s1","InChI=1S/C5H6O2/c1-5(7)3-2-4-6/h2-3,7H,1H3/b5-3-",65.14301,20.71169,
15362,[C:1]([C@@:2]1([H:11])[O:3][C:4](=[O:5])[C:6]([H:12])=[C:7]1[H:13])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:4](=[O+:3][O-:5])[C:6]([H:12])=[C:7]1[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H6O2/c1-4-2-3-5(6)7-4/h2-4H,1H3/t4-/m1/s1","InChI=1S/C5H6O2/c1-4-2-3-5(4)7-6/h2-4H,1H3/t4-/m1/s1",138.95486,127.72151000000001,
15363,[C:1]([C@@:2]1([H:11])[O:3][C:4](=[O:5])[C:6]([H:12])=[C:7]1[H:13])([H:8])([H:9])[H:10],[C:1]1([H:8])([H:9])[C@@:2](/[C:7](=[C:6](\[C:4](=[O:5])[H:10])[H:12])[H:13])([H:11])[O:3]1,"InChI=1S/C5H6O2/c1-4-2-3-5(6)7-4/h2-4H,1H3/t4-/m1/s1","InChI=1S/C5H6O2/c6-3-1-2-5-4-7-5/h1-3,5H,4H2/b2-1-/t5-/m0/s1",104.07386,47.77248,
15364,[C:1]([C@@:2]1([H:11])[O:3][C:4](=[O:5])[C:6]([H:12])=[C:7]1[H:13])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[O:3][C:4]1=[O:5])([H:8])([H:9])[H:10].[C:6](#[C:7][H:13])[H:12],"InChI=1S/C5H6O2/c1-4-2-3-5(6)7-4/h2-4H,1H3/t4-/m1/s1","InChI=1S/C3H4O2.C2H2/c1-2-3(4)5-2;1-2/h2H,1H3;1-2H/t2-;/m1./s1",124.25523000000001,74.40454,
15365,[C:1]([C@@:2]1([H:11])[O:3][C:4](=[O:5])[C:6]([H:12])=[C:7]1[H:13])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[O:3][C:4]([C:6](=[O:5])[H:12])=[C:7]1[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H6O2/c1-4-2-3-5(6)7-4/h2-4H,1H3/t4-/m1/s1","InChI=1S/C5H6O2/c1-4-2-5(3-6)7-4/h2-4H,1H3/t4-/m1/s1",143.00032,45.68484,
15366,[C:1]([C@@:2]1([H:11])[O:3][C:4](=[O:5])[C:6]([H:12])=[C:7]1[H:13])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:7]=[C:6]([H:12])[C:4](=[O:5])[O:3]1)([H:8])([H:9])[H:10].[H:11][H:13],"InChI=1S/C5H6O2/c1-4-2-3-5(6)7-4/h2-4H,1H3/t4-/m1/s1","InChI=1S/C5H4O2.H2/c1-4-2-3-5(6)7-4;/h3H,1H3;1H",82.98177,82.17676,
15367,[C:1]([C:2](=[O:3])[C:4]([C:5]([H:11])([H:12])[H:13])([C:6]([H:14])([H:15])[H:16])[O:7][H:17])([H:8])([H:9])[H:10],[C:1](=[C:2]([O:3][H:8])[C:4]([C:5]([H:11])([H:12])[H:13])([C:6]([H:14])([H:15])[H:16])[O:7][H:17])([H:9])[H:10],"InChI=1S/C5H10O2/c1-4(6)5(2,3)7/h7H,1-3H3","InChI=1S/C5H10O2/c1-4(6)5(2,3)7/h6-7H,1H2,2-3H3",64.48289,12.13372,ketoenol
15368,[C:1]([C:2](=[O:3])[C:4]([C:5]([H:11])([H:12])[H:13])([C:6]([H:14])([H:15])[H:16])[O:7][H:17])([H:8])([H:9])[H:10],[C:1]([C:2](=[O:3])[C:4](=[C:5]([H:12])[H:13])[C:6]([H:14])([H:15])[H:16])([H:8])([H:9])[H:10].[O:7]([H:11])[H:17],"InChI=1S/C5H10O2/c1-4(6)5(2,3)7/h7H,1-3H3","InChI=1S/C5H8O.H2O/c1-4(2)5(3)6;/h1H2,2-3H3;1H2",59.38966,13.9257,"1,3_Insertion_ROR"
15369,[C:1]([C:2](=[O:3])[C:4]([C:5]([H:11])([H:12])[H:13])([C:6]([H:14])([H:15])[H:16])[O:7][H:17])([H:8])([H:9])[H:10],[C:1](=[C:2]([O:3][H:17])[C:4]([C:5]([H:11])([H:12])[H:13])=[O:7])([H:9])[H:10].[C:6]([H:8])([H:14])([H:15])[H:16],"InChI=1S/C5H10O2/c1-4(6)5(2,3)7/h7H,1-3H3","InChI=1S/C4H6O2.CH4/c1-3(5)4(2)6;/h5H,1H2,2H3;1H4",81.62388,9.56148,
15370,[C:1]([C:2](=[O:3])[C:4]([C:5]([H:11])([H:12])[H:13])([C:6]([H:14])([H:15])[H:16])[O:7][H:17])([H:8])([H:9])[H:10],[C:1]([C:2](=[O:3])[H:15])([H:8])([H:9])[H:10].[C:4]([C:5]([H:11])([H:12])[H:13])(=[C:6]([H:14])[H:16])[O:7][H:17],"InChI=1S/C5H10O2/c1-4(6)5(2,3)7/h7H,1-3H3","InChI=1S/C3H6O.C2H4O/c1-3(2)4;1-2-3/h4H,1H2,2H3;2H,1H3",71.25729,23.982,
15371,[C:1]([C:2](=[O:3])[C:4]([C:5]([H:11])([H:12])[H:13])([C:6]([H:14])([H:15])[H:16])[O:7][H:17])([H:8])([H:9])[H:10],[C:1]([O+:3]=[C-:2][C:4]([C:5]([H:11])([H:12])[H:13])([C:6]([H:14])([H:15])[H:16])[O:7][H:17])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-4(6)5(2,3)7/h7H,1-3H3","InChI=1S/C5H10O2/c1-5(2,6)4-7-3/h6H,1-3H3",108.82242,71.5256,
15372,[C:1]([C:2](=[O:3])[C:4]([C:5]([H:11])([H:12])[H:13])([C:6]([H:14])([H:15])[H:16])[O:7][H:17])([H:8])([H:9])[H:10],[C:1]([C@:2]1([O:3][H:17])[C:4]([C:5]([H:11])([H:12])[H:13])([C:6]([H:14])([H:15])[H:16])[O:7]1)([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-4(6)5(2,3)7/h7H,1-3H3","InChI=1S/C5H10O2/c1-4(2)5(3,6)7-4/h6H,1-3H3/t5-/m1/s1",44.79432,18.81642,
15373,[C:1]([C:2](=[O:3])[C:4]([C:5]([H:11])([H:12])[H:13])([C:6]([H:14])([H:15])[H:16])[O:7][H:17])([H:8])([H:9])[H:10],[C:1](=[C:2]=[O:3])([H:9])[H:10].[C:4]([C:5]([H:11])([H:12])[H:13])([C:6]([H:14])([H:15])[H:16])([O:7][H:17])[H:8],"InChI=1S/C5H10O2/c1-4(6)5(2,3)7/h7H,1-3H3","InChI=1S/C3H8O.C2H2O/c1-3(2)4;1-2-3/h3-4H,1-2H3;1H2",77.12398,27.29011,
15374,[O:1]=[C:2]([c:3]1[n:4][c:5]([H:9])[c:6]([H:10])[o:7]1)[H:8],[N:4]#[C:5][H:9].[o:1]1[c:2]([H:8])[c-:3][o+:7][c:6]1[H:10],InChI=1S/C4H3NO2/c6-3-4-5-1-2-7-4/h1-3H,"InChI=1S/C3H2O2.CHN/c1-2-5-3-4-1;1-2/h1,3H;1H",101.55145,82.66752,
15375,[O:1]=[C:2]([c:3]1[n:4][c:5]([H:9])[c:6]([H:10])[o:7]1)[H:8],[O:1]([C:2](=[C:3]1[N-:4][C:5]([H:9])=[C:6]=[O+:7]1)[H:8])[H:10],InChI=1S/C4H3NO2/c6-3-4-5-1-2-7-4/h1-3H,"InChI=1S/C4H3NO2/c6-3-4-5-1-2-7-4/h1,3,6H",115.70256,51.9635,
15376,[O:1]=[C:2]([c:3]1[n:4][c:5]([H:9])[c:6]([H:10])[o:7]1)[H:8],[O:1]=[C:2]([C:3]#[N+:4][C:5](=[C:6]([O-:7])[H:10])[H:9])[H:8],InChI=1S/C4H3NO2/c6-3-4-5-1-2-7-4/h1-3H,"InChI=1S/C4H3NO2/c6-3-1-5-2-4-7/h1,3-4H",34.495509999999996,35.94893,
15377,[O:1]=[C:2]([c:3]1[n:4][c:5]([H:9])[c:6]([H:10])[o:7]1)[H:8],[O:1]=[C:2]([C:3]1=[N:4][C:5]([H:9])([H:10])[C-:6]=[O+:7]1)[H:8],InChI=1S/C4H3NO2/c6-3-4-5-1-2-7-4/h1-3H,"InChI=1S/C4H3NO2/c6-3-4-5-1-2-7-4/h3H,1H2",69.97907,61.333619999999996,Singlet_Carbene_Intra_Disproportionation
15378,[O:1]=[C:2]([c:3]1[n:4][c:5]([H:9])[c:6]([H:10])[o:7]1)[H:8],[O-:1][C:2](=[C:3]1[N:4]([H:9])[C+:5]=[C:6]([H:10])[O:7]1)[H:8],InChI=1S/C4H3NO2/c6-3-4-5-1-2-7-4/h1-3H,"InChI=1S/C4H3NO2/c6-3-4-5-1-2-7-4/h2-3,5H",86.41813,49.33266,
15379,[O:1]=[C:2]([c:3]1[n:4][c:5]([H:9])[c:6]([H:10])[o:7]1)[H:8],[O:1]([C+:2]=[C:3]1[N-:4][C:5]([H:9])=[C:6]([H:10])[O:7]1)[H:8],InChI=1S/C4H3NO2/c6-3-4-5-1-2-7-4/h1-3H,"InChI=1S/C4H3NO2/c6-3-4-5-1-2-7-4/h1-2,6H",81.34262,50.01502,
15380,[O:1]=[C:2]([c:3]1[n:4][c:5]([H:9])[c:6]([H:10])[o:7]1)[H:8],[O:1]=[C:2]([O:7]/[C:6](=[C:5](\[N+:4]#[C-:3])[H:9])[H:10])[H:8],InChI=1S/C4H3NO2/c6-3-4-5-1-2-7-4/h1-3H,InChI=1S/C4H3NO2/c1-5-2-3-7-4-6/h2-4H/b3-2-,55.868,33.26332,
15381,[O:1]=[C:2]([c:3]1[n:4][c:5]([H:9])[c:6]([H:10])[o:7]1)[H:8],[O-:1][N:4]1[C:3](=[C+:2][H:8])[O:7][C:6]([H:10])=[C:5]1[H:9],InChI=1S/C4H3NO2/c6-3-4-5-1-2-7-4/h1-3H,InChI=1S/C4H3NO2/c1-4-5(6)2-3-7-4/h1-3H,133.15076000000002,108.44496000000001,
15382,[O:1]=[C:2]([c:3]1[n:4][c:5]([H:9])[c:6]([H:10])[o:7]1)[H:8],[O:1]=[c:2]1[c:3]([H:8])[n:4][c:5]([H:9])[c:6]([H:10])[o:7]1,InChI=1S/C4H3NO2/c6-3-4-5-1-2-7-4/h1-3H,InChI=1S/C4H3NO2/c6-4-3-5-1-2-7-4/h1-3H,58.22456,-4.1021,
15383,[O:1]=[C:2]([c:3]1[n:4][c:5]([H:9])[c:6]([H:10])[o:7]1)[H:8],[O+:1]#[C-:2].[c-:3]1[n:4]([H:8])[c:5]([H:9])[c:6]([H:10])[o+:7]1,InChI=1S/C4H3NO2/c6-3-4-5-1-2-7-4/h1-3H,"InChI=1S/C3H3NO.CO/c1-2-5-3-4-1;1-2/h1-2,4H;",59.05425,35.30668,
15384,[O:1]=[C:2]([c:3]1[n:4][c:5]([H:9])[c:6]([H:10])[o:7]1)[H:8],[O-:1][C:2](=[C:3]1[N+:4]#[C:5][C:6]([H:9])([H:10])[O:7]1)[H:8],InChI=1S/C4H3NO2/c6-3-4-5-1-2-7-4/h1-3H,"InChI=1S/C4H3NO2/c6-3-4-5-1-2-7-4/h3H,2H2",79.75102,69.31758,Singlet_Carbene_Intra_Disproportionation
15385,[O:1]=[C:2]([c:3]1[n:4][c:5]([H:9])[c:6]([H:10])[o:7]1)[H:8],[O:1]=[C:2]([C:3]([N:4]=[C:5]=[C:6]([H:9])[H:10])=[O:7])[H:8],InChI=1S/C4H3NO2/c6-3-4-5-1-2-7-4/h1-3H,"InChI=1S/C4H3NO2/c1-2-5-4(7)3-6/h3H,1H2",78.3308,24.813570000000002,
15386,[O:1]=[C:2]([c:3]1[n:4][c:5]([H:9])[c:6]([H:10])[o:7]1)[H:8],[O:1]=[C:2]([C:3](=[N:4][C:5](=[C:6])[H:9])[O:7][H:10])[H:8],InChI=1S/C4H3NO2/c6-3-4-5-1-2-7-4/h1-3H,"InChI=1S/C4H3NO2/c1-2-5-4(7)3-6/h2-3H,(H,5,7)",89.23935999999999,80.94914,
15387,[O:1]=[C:2]([c:3]1[n:4][c:5]([H:9])[c:6]([H:10])[o:7]1)[H:8],[O:1]=[C:2]=[C:3]1[N:4]=[C:5]([H:9])[C:6]([H:8])([H:10])[O:7]1,InChI=1S/C4H3NO2/c6-3-4-5-1-2-7-4/h1-3H,"InChI=1S/C4H3NO2/c6-3-4-5-1-2-7-4/h1H,2H2",74.75565,32.14991,
15388,[O:1]=[C:2]([c:3]1[n:4][c:5]([H:9])[c:6]([H:10])[o:7]1)[H:8],[C:5](#[C:6][H:10])[H:9].[O:1]=[C:2]([N:4]=[C:3]=[O:7])[H:8],InChI=1S/C4H3NO2/c6-3-4-5-1-2-7-4/h1-3H,InChI=1S/C2HNO2.C2H2/c4-1-3-2-5;1-2/h1H;1-2H,89.69366,31.35288,
15389,[O:1]=[C:2]([c:3]1[n:4][c:5]([H:9])[c:6]([H:10])[o:7]1)[H:8],[O-:1][C:2](=[C:3]=[N:4][C:5](=[C+:6][O:7][H:10])[H:9])[H:8],InChI=1S/C4H3NO2/c6-3-4-5-1-2-7-4/h1-3H,"InChI=1S/C4H3NO2/c6-3-1-5-2-4-7/h1,4H,(H-,6,7)",89.23191,78.1109,
15390,[C:1]([C:2]([O:3]/[C:4](=[N:5]/[H:13])[C:6]#[N:7])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2](=[O:3])[H:12])([H:8])([H:9])[H:10].[C:4](=[N:5]\[H:13])(\[C:6]#[N:7])[H:11],"InChI=1S/C4H6N2O/c1-2-7-4(6)3-5/h6H,2H2,1H3/b6-4+","InChI=1S/C2H2N2.C2H4O/c3-1-2-4;1-2-3/h1,3H;2H,1H3/b3-1-;",77.14690999999999,16.74111,
15391,[C:1]([C:2]([O:3]/[C:4](=[N:5]/[H:13])[C:6]#[N:7])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](=[C:2]([H:11])[H:12])([H:8])[H:9].[O:3]=[C:4]([N:5]([H:10])[H:13])[C:6]#[N:7],"InChI=1S/C4H6N2O/c1-2-7-4(6)3-5/h6H,2H2,1H3/b6-4+","InChI=1S/C2H2N2O.C2H4/c3-1-2(4)5;1-2/h(H2,4,5);1-2H2",33.758379999999995,5.08594,Retroene
15392,[C:1]([C:2]([O:3]/[C:4](=[N:5]/[H:13])[C:6]#[N:7])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[O:3][C:4]([N-:5][H:13])=[C+:6][N:7]1[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-2-7-4(6)3-5/h6H,2H2,1H3/b6-4+","InChI=1S/C4H6N2O/c1-3-6-2-4(5)7-3/h3,5-6H,1H3/t3-/m1/s1",71.66344000000001,31.310229999999997,
15393,[C:1]([C:2]([O:3]/[C:4](=[N:5]/[H:13])[C:6]#[N:7])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2](=[O+:3][C:4]([N:5]([H:11])[H:13])=[C:6]=[N-:7])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-2-7-4(6)3-5/h6H,2H2,1H3/b6-4+","InChI=1S/C4H6N2O/c1-2-7-4(6)3-5/h2H,6H2,1H3",47.93358,40.334540000000004,
15394,[C:1]([C:2]([O:3]/[C:4](=[N:5]/[H:13])[C:6]#[N:7])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]1([H:8])([H:9])[C:2]([H:11])([H:12])[O:3][C:4](=[N:5]/[H:13])/[C:6]1=[N:7]/[H:10],"InChI=1S/C4H6N2O/c1-2-7-4(6)3-5/h6H,2H2,1H3/b6-4+","InChI=1S/C4H6N2O/c5-3-1-2-7-4(3)6/h5-6H,1-2H2/b5-3+,6-4+",87.02375,-3.7002599999999997,
15395,[C:1]([C:2]([O:3]/[C:4](=[N:5]/[H:13])[C:6]#[N:7])([H:11])[H:12])([H:8])([H:9])[H:10],[C-:2](=[O+:3]/[C:4](=[N:5]/[H:13])[C:6]#[N:7])[H:12].[C:1]([H:8])([H:9])([H:10])[H:11],"InChI=1S/C4H6N2O/c1-2-7-4(6)3-5/h6H,2H2,1H3/b6-4+","InChI=1S/C3H2N2O.CH4/c1-6-3(5)2-4;/h1,5H;1H4/b5-3+;",81.87453000000001,81.44126999999999,
15396,[C:1]([C:2]([O:3]/[C:4](=[N:5]/[H:13])[C:6]#[N:7])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([O+:3]=[C-:4][N:5]([C:6]#[N:7])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-2-7-4(6)3-5/h6H,2H2,1H3/b6-4+","InChI=1S/C4H6N2O/c1-2-7-4-6-3-5/h6H,2H2,1H3",72.06573,46.46588,
15397,[C:1]([C:2]([O:3]/[C:4](=[N:5]/[H:13])[C:6]#[N:7])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](/[N:7]=[C:6]1\[C:2]([H:11])([H:12])[O:3]\[C:4]1=[N:5]\[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-2-7-4(6)3-5/h6H,2H2,1H3/b6-4+","InChI=1S/C4H6N2O/c1-6-3-2-7-4(3)5/h5H,2H2,1H3/b5-4+,6-3+",100.17766,18.15159,
15398,[C:1]([C:2]([O:3]/[C:4](=[N:5]/[H:13])[C:6]#[N:7])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]1([H:8])([H:9])[C:2]([H:11])([H:12])[O:3]/[C:4](=[N:5]/[H:13])[C:6][N:7]1[H:10],"InChI=1S/C4H6N2O/c1-2-7-4(6)3-5/h6H,2H2,1H3/b6-4+","InChI=1S/C4H6N2O/c5-4-3-6-1-2-7-4/h5-6H,1-2H2/b5-4+",88.40353,44.15276,
15399,[C:1]([C:2]([O:3]/[C:4](=[N:5]/[H:13])[C:6]#[N:7])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([O:3][C:4](=[N:5][H:13])[N+:7]#[C-:6])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-2-7-4(6)3-5/h6H,2H2,1H3/b6-4+","InChI=1S/C4H6N2O/c1-3-7-4(5)6-2/h5H,3H2,1H3",50.70234,21.55676,
15400,[C:1]([C:2]([O:3]/[C:4](=[N:5]/[H:13])[C:6]#[N:7])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([O+:3]=[C-:4][N:5]([N+:7]#[C-:6])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-2-7-4(6)3-5/h6H,2H2,1H3/b6-4+","InChI=1S/C4H6N2O/c1-3-7-4-6-5-2/h6H,3H2,1H3",107.40876999999999,93.48527,
15401,[C:1]([C:2]([O:3]/[C:4](=[N:5]/[H:13])[C:6]#[N:7])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:6](/[C:4]([O+:3]=[C:2]([H:11])[H:12])=[N:5]\[H:13])=[N-:7])([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-2-7-4(6)3-5/h6H,2H2,1H3/b6-4+","InChI=1S/C4H6N2O/c1-3(5)4(6)7-2/h6H,2H2,1H3/b6-4+",87.27845,75.36721999999999,
15402,[C:1]([C:2]([O:3]/[C:4](=[N:5]/[H:13])[C:6]#[N:7])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([O:3][N:7]=[C:6]=[C:4]=[N:5][H:13])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-2-7-4(6)3-5/h6H,2H2,1H3/b6-4+","InChI=1S/C4H6N2O/c1-2-7-6-4-3-5/h5H,2H2,1H3",91.05852,66.44556999999999,
15403,[C:1]([C:2]([O:3]/[C:4](=[N:5]/[H:13])[C:6]#[N:7])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([O:3][c:6]1[c:4](=[N:5][H:13])[n:7]1)([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-2-7-4(6)3-5/h6H,2H2,1H3/b6-4+","InChI=1S/C4H6N2O/c1-2-7-4-3(5)6-4/h5H,2H2,1H3",71.33364,34.41238,
15404,[C:1]([C:2]([O:3]/[C:4](=[N:5]/[H:13])[C:6]#[N:7])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([N:5]([C:4]([O+:3]=[C:2]([H:11])[H:12])=[C:6]=[N-:7])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-2-7-4(6)3-5/h6H,2H2,1H3/b6-4+","InChI=1S/C4H6N2O/c1-6-4(3-5)7-2/h6H,2H2,1H3",100.57937,54.18165,
15405,[C:1]([C:2]([O:3]/[C:4](=[N:5]/[H:13])[C:6]#[N:7])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([O:3][C:4]#[N:5])([H:11])[H:12])([H:8])([H:9])[H:10].[C:6](#[N:7])[H:13],"InChI=1S/C4H6N2O/c1-2-7-4(6)3-5/h6H,2H2,1H3/b6-4+","InChI=1S/C3H5NO.CHN/c1-2-5-3-4;1-2/h2H2,1H3;1H",64.81609,26.64998,
15406,[C:1]([C:2]([O:3]/[C:4](=[N:5]/[H:13])[C:6]#[N:7])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:6]1=[N:7][C:2]([H:11])([H:12])[O:3]/[C:4]1=[N:5]/[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-2-7-4(6)3-5/h6H,2H2,1H3/b6-4+","InChI=1S/C4H6N2O/c1-3-4(5)7-2-6-3/h5H,2H2,1H3/b5-4+",87.29885999999999,-8.949760000000001,
15407,[C:1]([C:2]([O:3]/[C:4](=[N:5]/[H:13])[C:6]#[N:7])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([N:5]([C:4](=[O:3])[C:6]#[N:7])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-2-7-4(6)3-5/h6H,2H2,1H3/b6-4+","InChI=1S/C4H6N2O/c1-2-6-4(7)3-5/h2H2,1H3,(H,6,7)",41.57472,-14.933370000000002,ketoenol
15408,[C:1]([C:2]([O:3]/[C:4](=[N:5]/[H:13])[C:6]#[N:7])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([O:3][C:4]1=[C+:6][N:7]([H:13])[N-:5]1)([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-2-7-4(6)3-5/h6H,2H2,1H3/b6-4+","InChI=1S/C4H6N2O/c1-2-7-4-3-5-6-4/h5H,2H2,1H3",125.14461999999999,106.4091,
15409,[C:1]([C:2]([O:3]/[C:4](=[N:5]/[H:13])[C:6]#[N:7])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:3][C:2]([N:5]([C+:4]=[C:6]=[N-:7])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-2-7-4(6)3-5/h6H,2H2,1H3/b6-4+","InChI=1S/C4H6N2O/c1-7-4-6-3-2-5/h6H,4H2,1H3",113.10043999999999,54.94777,
15410,[C:1]([C:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C:5]([H:14])=[C:6]([H:15])[C:7]1([H:16])[H:17])([H:8])([H:9])[H:10],[C:1]([C@:2]([O:3][H:11])([C:4]([C:5](=[C:6]=[C:7]([H:16])[H:17])[H:14])([H:12])[H:13])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-6(7)4-2-3-5-6/h2-3,7H,4-5H2,1H3","InChI=1S/C6H10O/c1-3-4-5-6(2)7/h4,6-7H,1,5H2,2H3/t6-/m0/s1",122.52386000000001,24.07499,
15411,[C:1]([C:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C:5]([H:14])=[C:6]([H:15])[C:7]1([H:16])[H:17])([H:8])([H:9])[H:10],[C:1]([C@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C:5][C:6]([H:14])([H:15])[C:7]1([H:16])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-6(7)4-2-3-5-6/h2-3,7H,4-5H2,1H3","InChI=1S/C6H10O/c1-6(7)4-2-3-5-6/h7H,2,4-5H2,1H3/t6-/m1/s1",71.07795,72.99246,Singlet_Carbene_Intra_Disproportionation
15412,[C:1]([C:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C:5]([H:14])=[C:6]([H:15])[C:7]1([H:16])[H:17])([H:8])([H:9])[H:10],[C:1]([C:2]1([O:3][H:11])[C:4]([H:13])=[C:5]([H:14])[C:6]([H:15])=[C:7]1[H:16])([H:8])([H:9])[H:10].[H:12][H:17],"InChI=1S/C6H10O/c1-6(7)4-2-3-5-6/h2-3,7H,4-5H2,1H3","InChI=1S/C6H8O.H2/c1-6(7)4-2-3-5-6;/h2-5,7H,1H3;1H",54.96043,29.753059999999998,
15413,[C:1]([C:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C:5]([H:14])=[C:6]([H:15])[C:7]1([H:16])[H:17])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:7]([H:17])[C:6]([H:15])=[C:5]([H:14])[C:4]1([H:12])[H:13])([H:8])([H:9])[H:10].[O:3]([H:11])[H:16],"InChI=1S/C6H10O/c1-6(7)4-2-3-5-6/h2-3,7H,4-5H2,1H3","InChI=1S/C6H8.H2O/c1-6-4-2-3-5-6;/h2-4H,5H2,1H3;1H2",54.32486,7.518110000000001,"1,3_Insertion_ROR"
15414,[C:1]([C:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C:5]([H:14])=[C:6]([H:15])[C:7]1([H:16])[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:5]1([H:14])[C:4]([H:12])([H:13])[C+:2]([O:3][H:11])[C:7]([H:16])([H:17])[C-:6]1[H:15])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-6(7)4-2-3-5-6/h2-3,7H,4-5H2,1H3","InChI=1S/C6H10O/c1-5-2-3-6(7)4-5/h2,5,7H,3-4H2,1H3/t5-/m1/s1",90.13896,79.02157,
15415,[C:1]([C:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C:5]([H:14])=[C:6]([H:15])[C:7]1([H:16])[H:17])([H:8])([H:9])[H:10],[C:1]([C@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C:5]([H:14])=[C:6]=[C:7]1[H:16])([H:8])([H:9])[H:10].[H:15][H:17],"InChI=1S/C6H10O/c1-6(7)4-2-3-5-6/h2-3,7H,4-5H2,1H3","InChI=1S/C6H8O.H2/c1-6(7)4-2-3-5-6;/h2,5,7H,4H2,1H3;1H/t6-;/m0./s1",100.23678000000001,89.12253,
15416,[C:1]([C:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C:5]([H:14])=[C:6]([H:15])[C:7]1([H:16])[H:17])([H:8])([H:9])[H:10],[C:1]([C@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:17])[C:6]([H:15])=[C:7]1[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-6(7)4-2-3-5-6/h2-3,7H,4-5H2,1H3","InChI=1S/C6H10O/c1-6(7)4-2-3-5-6/h2,4,7H,3,5H2,1H3/t6-/m1/s1",73.47919,0.2586,
15417,[C:1]([C:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C:5]([H:14])=[C:6]([H:15])[C:7]1([H:16])[H:17])([H:8])([H:9])[H:10],[C:1]([C:2](=[O:3])/[C:7](=[C:6](\[C:5](=[C:4]([H:12])[H:13])[H:14])[H:15])[H:17])([H:8])([H:9])[H:10].[H:11][H:16],"InChI=1S/C6H10O/c1-6(7)4-2-3-5-6/h2-3,7H,4-5H2,1H3","InChI=1S/C6H8O.H2/c1-3-4-5-6(2)7;/h3-5H,1H2,2H3;1H/b5-4-;",74.36973,28.36188,
15418,[C:1]([C:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C:5]([H:14])=[C:6]([H:15])[C:7]1([H:16])[H:17])([H:8])([H:9])[H:10],[C:1](=[C:2]([O:3][H:11])/[C:4](=[C:5](\[C:6](=[C:7]([H:16])[H:17])[H:15])[H:14])[H:13])([H:8])[H:9].[H:10][H:12],"InChI=1S/C6H10O/c1-6(7)4-2-3-5-6/h2-3,7H,4-5H2,1H3","InChI=1S/C6H8O.H2/c1-3-4-5-6(2)7;/h3-5,7H,1-2H2;1H/b5-4-;",89.25016,41.123470000000005,
15419,[C:1]([C:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C:5]([H:14])=[C:6]([H:15])[C:7]1([H:16])[H:17])([H:8])([H:9])[H:10],[C:1]([C@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C@@:5]1([C:6](=[C:7]([H:16])[H:17])[H:15])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-6(7)4-2-3-5-6/h2-3,7H,4-5H2,1H3","InChI=1S/C6H10O/c1-3-5-4-6(5,2)7/h3,5,7H,1,4H2,2H3/t5-,6-/m0/s1",57.55538000000001,23.939420000000002,
15420,[C:1]([C:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C:5]([H:14])=[C:6]([H:15])[C:7]1([H:16])[H:17])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:17].[C:2]1([O:3][H:11])=[C:7]([H:16])[C:6]([H:15])=[C:5]([H:14])[C:4]1([H:12])[H:13],"InChI=1S/C6H10O/c1-6(7)4-2-3-5-6/h2-3,7H,4-5H2,1H3","InChI=1S/C5H6O.CH4/c6-5-3-1-2-4-5;/h1-3,6H,4H2;1H4",93.82276999999999,9.417689999999999,
15421,[C:1]([C:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C:5]([H:14])=[C:6]([H:15])[C:7]1([H:16])[H:17])([H:8])([H:9])[H:10],[C:1]([C:7](/[C:6](=[C:5](\[C:4]([C:2][O:3][H:11])([H:12])[H:13])[H:14])[H:15])([H:16])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-6(7)4-2-3-5-6/h2-3,7H,4-5H2,1H3","InChI=1S/C6H10O/c1-2-3-4-5-6-7/h3-4,7H,2,5H2,1H3/b4-3-",116.48201999999999,60.733169999999994,
15422,[C:1]([C:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C:5]([H:14])=[C:6]([H:15])[C:7]1([H:16])[H:17])([H:8])([H:9])[H:10],[C:1]([C:7]([C:2](=[O:3])[C:4]([C:5](=[C:6]([H:11])[H:15])[H:14])([H:12])[H:13])([H:16])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-6(7)4-2-3-5-6/h2-3,7H,4-5H2,1H3","InChI=1S/C6H10O/c1-3-5-6(7)4-2/h3H,1,4-5H2,2H3",81.57892,5.00896,
15423,[C:1]([C:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C:5]([H:14])=[C:6]([H:15])[C:7]1([H:16])[H:17])([H:8])([H:9])[H:10],[C:1]([C:2](=[O:3])[C:7]([C:6]([C:5](=[C:4]([H:12])[H:13])[H:14])([H:11])[H:15])([H:16])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-6(7)4-2-3-5-6/h2-3,7H,4-5H2,1H3","InChI=1S/C6H10O/c1-3-4-5-6(2)7/h3H,1,4-5H2,2H3",45.93484,2.8221700000000003,
15424,[C:1]([C:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C:5]([H:14])=[C:6]([H:15])[C:7]1([H:16])[H:17])([H:8])([H:9])[H:10],[C:1]([O:3][H:11])([H:8])([H:9])[H:10].[C:2]1[C:4]([H:12])([H:13])[C:5]([H:14])=[C:6]([H:15])[C:7]1([H:16])[H:17],"InChI=1S/C6H10O/c1-6(7)4-2-3-5-6/h2-3,7H,4-5H2,1H3","InChI=1S/C5H6.CH4O/c1-2-4-5-3-1;1-2/h1-2H,3-4H2;2H,1H3",114.06246000000002,100.65682,
15425,[C:1]([C:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C:5]([H:14])=[C:6]([H:15])[C:7]1([H:16])[H:17])([H:8])([H:9])[H:10],[C:1]([C@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C+:5]([H:14])[C:6]([H:15])=[C-:7]1)([H:8])([H:9])[H:10].[H:16][H:17],"InChI=1S/C6H10O/c1-6(7)4-2-3-5-6/h2-3,7H,4-5H2,1H3","InChI=1S/C6H8O.H2/c1-6(7)4-2-3-5-6;/h2-3,7H,4H2,1H3;1H/t6-;/m0./s1",83.69353000000001,91.51371999999999,
15426,[C:1]([C:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C:5]([H:14])=[C:6]([H:15])[C:7]1([H:16])[H:17])([H:8])([H:9])[H:10],[C:1]([C@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C@@:5]2([H:14])[C@:6]1([H:15])[C:7]2([H:16])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-6(7)4-2-3-5-6/h2-3,7H,4-5H2,1H3","InChI=1S/C6H10O/c1-6(7)3-4-2-5(4)6/h4-5,7H,2-3H2,1H3/t4-,5-,6-/m0/s1",96.27401,28.25657,
15427,[C:1]([C:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C:5]([H:14])=[C:6]([H:15])[C:7]1([H:16])[H:17])([H:8])([H:9])[H:10],[C:1]1([H:8])([H:9])[C:2](=[O:3])[C:4]([H:12])([H:13])[C:5]([H:14])=[C:6]([H:15])[C:7]1([H:16])[H:17].[H:10][H:11],"InChI=1S/C6H10O/c1-6(7)4-2-3-5-6/h2-3,7H,4-5H2,1H3","InChI=1S/C6H8O.H2/c7-6-4-2-1-3-5-6;/h1-2H,3-5H2;1H",85.75188,13.898829999999998,
15428,[C:1]([C:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C:5]([H:14])=[C:6]([H:15])[C:7]1([H:16])[H:17])([H:8])([H:9])[H:10],[C:1]([C:2][C:4](/[C:5](=[C:6](\[C:7]([O:3][H:11])([H:16])[H:17])[H:15])[H:14])([H:12])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-6(7)4-2-3-5-6/h2-3,7H,4-5H2,1H3","InChI=1S/C6H10O/c1-2-3-4-5-6-7/h4-5,7H,3,6H2,1H3/b5-4-",100.55714,89.11180999999999,
15429,[O:1]([C:2]([C:3]([O:4][C:5]([C:6]#[C:7][H:15])([H:13])[H:14])([H:11])[H:12])([H:9])[H:10])[H:8],[O:1]([C:2]([C:3]([O:4][C:7](=[C:6]=[C:5]([H:13])[H:14])[H:15])([H:11])[H:12])([H:9])[H:10])[H:8],"InChI=1S/C5H8O2/c1-2-4-7-5-3-6/h1,6H,3-5H2","InChI=1S/C5H8O2/c1-2-4-7-5-3-6/h4,6H,1,3,5H2",58.15695,-8.617280000000001,
15430,[O:1]([C:2]([C:3]([O:4][C:5]([C:6]#[C:7][H:15])([H:13])[H:14])([H:11])[H:12])([H:9])[H:10])[H:8],[O:1]1[C:2]([H:9])([H:10])[C:3]([H:11])([H:12])[O:4][C:5]([H:13])([H:14])[C:6][C:7]1([H:8])[H:15],"InChI=1S/C5H8O2/c1-2-4-7-5-3-6/h1,6H,3-5H2",InChI=1S/C5H8O2/c1-2-6-4-5-7-3-1/h2-5H2,52.962030000000006,43.20152,
15431,[O:1]([C:2]([C:3]([O:4][C:5]([C:6]#[C:7][H:15])([H:13])[H:14])([H:11])[H:12])([H:9])[H:10])[H:8],[O:1]([C:2]([C:3]([O:4]/[C:5](=[C:6](\[C:7][H:15])[H:14])[H:13])([H:11])[H:12])([H:9])[H:10])[H:8],"InChI=1S/C5H8O2/c1-2-4-7-5-3-6/h1,6H,3-5H2","InChI=1S/C5H8O2/c1-2-4-7-5-3-6/h1-2,4,6H,3,5H2/b4-2-",57.01515,40.30924,
15432,[O:1]([C:2]([C:3]([O:4][C:5]([C:6]#[C:7][H:15])([H:13])[H:14])([H:11])[H:12])([H:9])[H:10])[H:8],[C:5](=[C:6]=[C:7]([H:12])[H:15])([H:13])[H:14].[O:1]([C:2]([C:3](=[O:4])[H:11])([H:9])[H:10])[H:8],"InChI=1S/C5H8O2/c1-2-4-7-5-3-6/h1,6H,3-5H2","InChI=1S/C3H4.C2H4O2/c1-3-2;3-1-2-4/h1-2H2;1,4H,2H2",29.238359999999997,-5.2142599999999995,Retroene
15433,[O:1]([C:2]([C:3]([O:4][C:5]([C:6]#[C:7][H:15])([H:13])[H:14])([H:11])[H:12])([H:9])[H:10])[H:8],[O:1]([C:2]([C:3]([O:4][C:5]([C:7](=[C:6])[H:15])([H:13])[H:14])([H:11])[H:12])([H:9])[H:10])[H:8],"InChI=1S/C5H8O2/c1-2-4-7-5-3-6/h1,6H,3-5H2","InChI=1S/C5H8O2/c1-2-4-7-5-3-6/h2,6H,3-5H2",56.70909,50.61202,Singlet_Carbene_Intra_Disproportionation
15434,[O:1]([C:2]([C:3]([O:4][C:5]([C:6]#[C:7][H:15])([H:13])[H:14])([H:11])[H:12])([H:9])[H:10])[H:8],[O:1]([C:2]([C:6]([C:5]([O+:4]=[C:3]([H:11])[H:12])([H:13])[H:14])=[C-:7][H:15])([H:9])[H:10])[H:8],"InChI=1S/C5H8O2/c1-2-4-7-5-3-6/h1,6H,3-5H2","InChI=1S/C5H8O2/c1-5(3-6)4-7-2/h1,6H,2-4H2",80.3505,65.70964000000001,
15435,[O:1]([C:2]([C:3]([O:4][C:5]([C:6]#[C:7][H:15])([H:13])[H:14])([H:11])[H:12])([H:9])[H:10])[H:8],[O:1]([C@@:2]1([H:9])[C:3]([H:11])([H:12])[O:4][C:5]([H:13])([H:14])[C:6][C:7]1([H:10])[H:15])[H:8],"InChI=1S/C5H8O2/c1-2-4-7-5-3-6/h1,6H,3-5H2","InChI=1S/C5H8O2/c6-5-2-1-3-7-4-5/h5-6H,2-4H2/t5-/m1/s1",53.4418,35.786159999999995,
15436,[N:1](=[c:2]1/[c:3]([H:9])[c:4]([H:10])[c:5]([H:11])[n:6][o:7]1)\[H:8],[N:1]1([H:8])[C-:2]=[C:3]([H:9])[C+:4]([H:10])[C@:5]1([N:6]=[O:7])[H:11],"InChI=1S/C4H4N2O/c5-4-2-1-3-6-7-4/h1-3,5H/b5-4-","InChI=1S/C4H4N2O/c7-6-4-2-1-3-5-4/h1-2,4-5H/t4-/m1/s1",73.33749,73.53372,
15437,[N:1](=[c:2]1/[c:3]([H:9])[c:4]([H:10])[c:5]([H:11])[n:6][o:7]1)\[H:8],[N:1](=[C:2]1/[C:3]([H:9])([H:10])[C+:4]=[C:5]([H:11])[N-:6][O:7]1)\[H:8],"InChI=1S/C4H4N2O/c5-4-2-1-3-6-7-4/h1-3,5H/b5-4-","InChI=1S/C4H4N2O/c5-4-2-1-3-6-7-4/h3,5H,2H2/b5-4-",81.24975,74.3907,Singlet_Carbene_Intra_Disproportionation
15438,[N:1](=[c:2]1/[c:3]([H:9])[c:4]([H:10])[c:5]([H:11])[n:6][o:7]1)\[H:8],[N:1](=[C:2]1/[C@:3]2([H:9])[C:4]([H:10])=[C:5]([H:11])[N:6]2[O:7]1)\[H:8],"InChI=1S/C4H4N2O/c5-4-2-1-3-6-7-4/h1-3,5H/b5-4-","InChI=1S/C4H4N2O/c5-4-3-1-2-6(3)7-4/h1-3,5H/b5-4-/t3-/m0/s1",71.12248000000001,48.93332,
15439,[N:1](=[c:2]1/[c:3]([H:9])[c:4]([H:10])[c:5]([H:11])[n:6][o:7]1)\[H:8],[N:1](=[C:2](/[C:3](=[C:4]([H:10])[H:11])[H:9])[O:7][N+:6]#[C-:5])\[H:8],"InChI=1S/C4H4N2O/c5-4-2-1-3-6-7-4/h1-3,5H/b5-4-","InChI=1S/C4H4N2O/c1-3-4(5)7-6-2/h3,5H,1H2/b5-4-",85.72875,56.39873000000001,
15440,[N:1](=[c:2]1/[c:3]([H:9])[c:4]([H:10])[c:5]([H:11])[n:6][o:7]1)\[H:8],[N:1]([C:2]1=[C:3]=[C:4]([H:10])[C:5]([H:11])=[N:6][O:7]1)([H:8])[H:9],"InChI=1S/C4H4N2O/c5-4-2-1-3-6-7-4/h1-3,5H/b5-4-","InChI=1S/C4H4N2O/c5-4-2-1-3-6-7-4/h1,3H,5H2",57.324130000000004,36.88301,
15441,[N:1](=[c:2]1/[c:3]([H:9])[c:4]([H:10])[c:5]([H:11])[n:6][o:7]1)\[H:8],[N:1]1([H:8])[C@@:2]23[C@:3]1([H:9])[C@:4]2([H:10])[C:5]([H:11])=[N:6][O:7]3,"InChI=1S/C4H4N2O/c5-4-2-1-3-6-7-4/h1-3,5H/b5-4-","InChI=1S/C4H4N2O/c1-2-3-4(2,6-3)7-5-1/h1-3,6H/t2-,3-,4-/m0/s1",83.39028,69.81014,
15442,[N:1](=[c:2]1/[c:3]([H:9])[c:4]([H:10])[c:5]([H:11])[n:6][o:7]1)\[H:8],[N:1](=[C:2]1[C:3]([H:9])=[C:4]([H:10])[C:5]([H:11])=[N+:6]1[O-:7])[H:8],"InChI=1S/C4H4N2O/c5-4-2-1-3-6-7-4/h1-3,5H/b5-4-","InChI=1S/C4H4N2O/c5-4-2-1-3-6(4)7/h1-3,5H",49.65886,13.15775,
15443,[N:1](=[c:2]1/[c:3]([H:9])[c:4]([H:10])[c:5]([H:11])[n:6][o:7]1)\[H:8],[N:1]1([H:8])[C:2](=[O:7])[C@:3]1([C@:4]1([H:10])[C:5]([H:11])=[N:6]1)[H:9],"InChI=1S/C4H4N2O/c5-4-2-1-3-6-7-4/h1-3,5H/b5-4-","InChI=1S/C4H4N2O/c7-4-3(6-4)2-1-5-2/h1-3H,(H,6,7)/t2-,3+/m0/s1",56.64102,33.06122,
15444,[N:1](=[c:2]1/[c:3]([H:9])[c:4]([H:10])[c:5]([H:11])[n:6][o:7]1)\[H:8],[N:1](=[C:2]([C:3](=[C:4]([C+:5]=[N:6][H:11])[H:10])[H:9])[O-:7])[H:8],"InChI=1S/C4H4N2O/c5-4-2-1-3-6-7-4/h1-3,5H/b5-4-","InChI=1S/C4H4N2O/c5-3-1-2-4(6)7/h1-2,5H,(H-,6,7)",61.124109999999995,24.93103,
15445,[N:1](=[c:2]1/[c:3]([H:9])[c:4]([H:10])[c:5]([H:11])[n:6][o:7]1)\[H:8],[N:1](=[C:2]=[C:3]([C:4](=[C:5]([N:6]=[O:7])[H:11])[H:10])[H:9])[H:8],"InChI=1S/C4H4N2O/c5-4-2-1-3-6-7-4/h1-3,5H/b5-4-","InChI=1S/C4H4N2O/c5-3-1-2-4-6-7/h1-2,4-5H",50.78322,37.98182,
15446,[N:1](=[c:2]1/[c:3]([H:9])[c:4]([H:10])[c:5]([H:11])[n:6][o:7]1)\[H:8],[N:1]([C:2]1=[O+:7][N-:6][C:5]([H:11])=[C:4]=[C:3]1[H:9])([H:8])[H:10],"InChI=1S/C4H4N2O/c5-4-2-1-3-6-7-4/h1-3,5H/b5-4-","InChI=1S/C4H4N2O/c5-4-2-1-3-6-7-4/h2-3H,5H2",120.87527,45.55324,
15447,[N:1](=[c:2]1/[c:3]([H:9])[c:4]([H:10])[c:5]([H:11])[n:6][o:7]1)\[H:8],[N:1]1([H:8])[C:2]2=[O+:7][N-:6][C:5]([H:11])=[C:4]([H:10])[C@:3]12[H:9],"InChI=1S/C4H4N2O/c5-4-2-1-3-6-7-4/h1-3,5H/b5-4-","InChI=1S/C4H4N2O/c1-2-5-7-4-3(1)6-4/h1-3,6H/t3-/m0/s1",69.14439,68.97498,
15448,[C:1]([C@@:2]1([H:11])[C@:3]([C:4]([H:13])([H:14])[H:15])([H:12])[C@:5]1([C:6]#[N:7])[H:16])([H:8])([H:9])[H:10],[C:1]([C:2][C@@:3]([C:4]([H:13])([H:14])[H:15])([C:5]([C:6]#[N:7])([H:11])[H:16])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-4-5(2)6(4)3-7/h4-6H,1-2H3/t4-,5+,6-","InChI=1S/C6H9N/c1-3-6(2)4-5-7/h6H,4H2,1-2H3/t6-/m1/s1",70.07008,73.3332,
15449,[C:1]([C@@:2]1([H:11])[C@:3]([C:4]([H:13])([H:14])[H:15])([H:12])[C@:5]1([C:6]#[N:7])[H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]([C:3](=[C:4]([H:13])[H:15])[H:12])([C:5](=[C:6]=[N:7][H:14])[H:16])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-4-5(2)6(4)3-7/h4-6H,1-2H3/t4-,5+,6-","InChI=1S/C6H9N/c1-3-6(2)4-5-7/h3-4,6-7H,1H2,2H3/t6-/m0/s1",41.14702,18.54746,
15450,[C:1]([C@@:2]1([H:11])[C@:3]([C:4]([H:13])([H:14])[H:15])([H:12])[C@:5]1([C:6]#[N:7])[H:16])([H:8])([H:9])[H:10],[C:1]([C+:2]1[C@:3]([C:4]([H:13])([H:14])[H:15])([H:12])[C@:5]1([C-:6]=[N:7][H:11])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-4-5(2)6(4)3-7/h4-6H,1-2H3/t4-,5+,6-","InChI=1S/C6H9N/c1-4-5(2)6(4)3-7/h4,6-7H,1-2H3/t4-,6-/m1/s1",119.80221999999999,75.65802,
15451,[C:1]([C@@:2]1([H:11])[C@:3]([C:4]([H:13])([H:14])[H:15])([H:12])[C@:5]1([C:6]#[N:7])[H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C@:3]([C:4]([H:13])([H:14])[H:15])([H:12])[C@:5]1([N+:7]#[C-:6])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-4-5(2)6(4)3-7/h4-6H,1-2H3/t4-,5+,6-","InChI=1S/C6H9N/c1-4-5(2)6(4)7-3/h4-6H,1-2H3/t4-,5+,6-",61.178419999999996,27.1463,
15452,[C:1]([C@@:2]1([H:11])[C@:3]([C:4]([H:13])([H:14])[H:15])([H:12])[C@:5]1([C:6]#[N:7])[H:16])([H:8])([H:9])[H:10],[C:1]1([H:8])([H:10])[C:2]([H:9])([H:11])[C@:3]([C:4]([H:13])([H:14])[H:15])([H:12])[C:5]([H:16])=[C:6]=[N:7]1,"InChI=1S/C6H9N/c1-4-5(2)6(4)3-7/h4-6H,1-2H3/t4-,5+,6-","InChI=1S/C6H9N/c1-6-2-4-7-5-3-6/h2,6H,3,5H2,1H3/t6-/m0/s1",69.12122,34.73376,
15453,[C:1]([C@@:2]1([H:11])[C@:3]([C:4]([H:13])([H:14])[H:15])([H:12])[C@:5]1([C:6]#[N:7])[H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]([C:3]([C:4]([H:13])([H:14])[H:15])([H:12])[H:16])([C+:5]=[C:6]=[N-:7])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-4-5(2)6(4)3-7/h4-6H,1-2H3/t4-,5+,6-","InChI=1S/C6H9N/c1-3-6(2)4-5-7/h6H,3H2,1-2H3/t6-/m0/s1",62.443000000000005,61.760180000000005,
15454,[C:1]([C@@:2]1([H:11])[C@:3]([C:4]([H:13])([H:14])[H:15])([H:12])[C@:5]1([C:6]#[N:7])[H:16])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:11].[C:2]1[C@:3]([C:4]([H:13])([H:14])[H:15])([H:12])[C@:5]1([C:6]#[N:7])[H:16],"InChI=1S/C6H9N/c1-4-5(2)6(4)3-7/h4-6H,1-2H3/t4-,5+,6-","InChI=1S/C5H5N.CH4/c1-4-2-5(4)3-6;/h4-5H,1H3;1H4/t4-,5-;/m1./s1",88.65124,96.06241999999999,
15455,[C:1]([C@@:2]1([H:11])[C@:3]([C:4]([H:13])([H:14])[H:15])([H:12])[C@:5]1([C:6]#[N:7])[H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C@:3]([C:4]([H:13])([H:14])[H:15])([H:12])[C:5]1=[C:6]=[N:7][H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-4-5(2)6(4)3-7/h4-6H,1-2H3/t4-,5+,6-","InChI=1S/C6H9N/c1-4-5(2)6(4)3-7/h4-5,7H,1-2H3/t4-,5+",91.44462,26.6876,
15456,[C:1]([C@@:2]1([H:11])[C@:3]([C:4]([H:13])([H:14])[H:15])([H:12])[C@:5]1([C:6]#[N:7])[H:16])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:5]([C:3][C:4]([H:13])([H:14])[H:15])([C:6]#[N:7])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-4-5(2)6(4)3-7/h4-6H,1-2H3/t4-,5+,6-","InChI=1S/C6H9N/c1-3-6(4-2)5-7/h6H,3H2,1-2H3/t6-/m0/s1",68.0871,70.39156,
15457,[C:1]([C@@:2]1([H:11])[C@:3]([C:4]([H:13])([H:14])[H:15])([H:12])[C@:5]1([C:6]#[N:7])[H:16])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:16].[C:2]1([H:11])=[C:5]([C:6]#[N:7])[C@@:3]1([C:4]([H:13])([H:14])[H:15])[H:12],"InChI=1S/C6H9N/c1-4-5(2)6(4)3-7/h4-6H,1-2H3/t4-,5+,6-","InChI=1S/C5H5N.CH4/c1-4-2-5(4)3-6;/h2,4H,1H3;1H4/t4-;/m1./s1",91.61803,40.18481,
15458,[C:1]([C@@:2]1([H:11])[C@:3]([C:4]([H:13])([H:14])[H:15])([H:12])[C@:5]1([C:6]#[N:7])[H:16])([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:5](\[C:6]#[N:7])[H:16])[H:11])([H:8])([H:9])[H:10].[C:3](=[C:4]([H:13])[H:15])([H:12])[H:14],"InChI=1S/C6H9N/c1-4-5(2)6(4)3-7/h4-6H,1-2H3/t4-,5+,6-","InChI=1S/C4H5N.C2H4/c1-2-3-4-5;1-2/h2-3H,1H3;1-2H2/b3-2-;",69.25903000000001,16.16646,
15459,[C:1]([C:2]#[C:3][C:4](=[O:5])[C:6]#[C:7][H:11])([H:8])([H:9])[H:10],[C:1](=[C:2]=[C:3]=[C:4]=[O:5])([H:8])[H:10].[C:6](#[C:7][H:11])[H:9],"InChI=1S/C6H4O/c1-3-5-6(7)4-2/h2H,1H3",InChI=1S/C4H2O.C2H2/c1-2-3-4-5;1-2/h1H2;1-2H,55.71754,21.16017,
15460,[C:1]([C:2]#[C:3][C:4](=[O:5])[C:6]#[C:7][H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]#[C:4][C:6]#[C:7][H:11])=[O:5])([H:8])([H:9])[H:10],"InChI=1S/C6H4O/c1-3-5-6(7)4-2/h2H,1H3","InChI=1S/C6H4O/c1-3-4-5-6(2)7/h1H,2H3",70.74712,-8.124360000000001,
15461,[C:1]([C:2]#[C:3][C:4](=[O:5])[C:6]#[C:7][H:11])([H:8])([H:9])[H:10],[C:1](=[C:2]([C+:3]=[C:4]([O-:5])[C:6]#[C:7][H:11])[H:9])([H:8])[H:10],"InChI=1S/C6H4O/c1-3-5-6(7)4-2/h2H,1H3","InChI=1S/C6H4O/c1-3-5-6(7)4-2/h2-3H,1H2",62.7843,44.17755,
15462,[C:1]([C:2]#[C:3][C:4](=[O:5])[C:6]#[C:7][H:11])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]=[C:4]=[O:5])[C:6]#[C:7][H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H4O/c1-3-5-6(7)4-2/h2H,1H3","InChI=1S/C6H4O/c1-3-6(2)4-5-7/h1H,2H3",68.39424,-9.15638,
15463,[C:1]([C:2]#[C:3][C:4](=[O:5])[C:6]#[C:7][H:11])([H:8])([H:9])[H:10],[C:1]([C:2]#[C:3][C:4](=[O:5])[C:7](=[C:6])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H4O/c1-3-5-6(7)4-2/h2H,1H3","InChI=1S/C6H4O/c1-3-5-6(7)4-2/h4H,1H3",49.71242,46.69341,Singlet_Carbene_Intra_Disproportionation
15464,[C:1]([C:2]#[C:3][C:4](=[O:5])[C:6]#[C:7][H:11])([H:8])([H:9])[H:10],[C:1]([C@:2]12[C:3](=[C:4]=[O:5])[C:6]1=[C:7]2[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H4O/c1-3-5-6(7)4-2/h2H,1H3","InChI=1S/C6H4O/c1-6-2-4(6)5(6)3-7/h2H,1H3/t6-/m1/s1",70.34022,27.456840000000003,
15465,[C:1]([C:2]#[C:3][C:4](=[O:5])[C:6]#[C:7][H:11])([H:8])([H:9])[H:10],[C:1]([O+:5]=[C:4]([C:3]#[C-:2])[C:6]#[C:7][H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H4O/c1-3-5-6(7)4-2/h2H,1H3","InChI=1S/C6H4O/c1-4-6(5-2)7-3/h1H,3H3",98.34074,58.09826999999999,
15466,[C:1]([C:2]#[C:3][C:4](=[O:5])[C:6]#[C:7][H:11])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3])[C:4](=[O:5])[C:6]#[C:7][H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H4O/c1-3-5-6(7)4-2/h2H,1H3","InChI=1S/C6H4O/c1-4-6(7)5(2)3/h1H,2H3",51.908770000000004,50.65835,
15467,[C:1]([C:2]#[C:3][C:4](=[O:5])[C:6]#[C:7][H:11])([H:8])([H:9])[H:10],[C:1](=[C:2]=[C:3]=[C:4]([O:5][H:9])[C:6]#[C:7][H:11])([H:8])[H:10],"InChI=1S/C6H4O/c1-3-5-6(7)4-2/h2H,1H3","InChI=1S/C6H4O/c1-3-5-6(7)4-2/h2,7H,1H2",53.211290000000005,6.9604800000000004,
15468,[C:1]([C:2]#[C:3][C:4](=[O:5])[C:6]#[C:7][H:11])([H:8])([H:9])[H:10],[C:1](=[C:2]=[C:3]([C:4](=[O:5])[C:6]#[C:7][H:11])[H:9])([H:8])[H:10],"InChI=1S/C6H4O/c1-3-5-6(7)4-2/h2H,1H3","InChI=1S/C6H4O/c1-3-5-6(7)4-2/h2,5H,1H2",83.15658,-4.99292,
15469,[C:1]([c:2]1[c:3]([C:4]([H:11])([H:12])[H:13])[c:5]([H:14])[c:6]([H:15])[n:7]1[H:16])([H:8])([H:9])[H:10],[C:1]([C:2]1=[N:7][C:6]([H:15])([H:16])[C:5]([H:14])=[C:3]1[C:4]([H:11])([H:12])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-5-3-4-7-6(5)2/h3-4,7H,1-2H3","InChI=1S/C6H9N/c1-5-3-4-7-6(5)2/h3H,4H2,1-2H3",41.54159,10.29515,
15470,[C:1]([c:2]1[c:3]([C:4]([H:11])([H:12])[H:13])[c:5]([H:14])[c:6]([H:15])[n:7]1[H:16])([H:8])([H:9])[H:10],[C:1]([C:3]1([C:4]([H:11])([H:12])[H:13])[C:2][N:7]([H:16])[C:6]([H:15])=[C:5]1[H:14])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-5-3-4-7-6(5)2/h3-4,7H,1-2H3","InChI=1S/C6H9N/c1-6(2)3-4-7-5-6/h3-4,7H,1-2H3",76.96723,60.81629,
15471,[C:1]([c:2]1[c:3]([C:4]([H:11])([H:12])[H:13])[c:5]([H:14])[c:6]([H:15])[n:7]1[H:16])([H:8])([H:9])[H:10],[C:1]([C@@:6]1([H:15])[C+:5]([H:14])[C:3]([C:4]([H:11])([H:12])[H:13])=[C-:2][N:7]1[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-5-3-4-7-6(5)2/h3-4,7H,1-2H3","InChI=1S/C6H9N/c1-5-3-6(2)7-4-5/h3,6-7H,1-2H3/t6-/m0/s1",141.51683,55.52398,
15472,[C:1]([c:2]1[c:3]([C:4]([H:11])([H:12])[H:13])[c:5]([H:14])[c:6]([H:15])[n:7]1[H:16])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]=[C:5](/[C:6](=[N:7]/[H:16])[H:15])[H:14])[C:4]([H:11])([H:12])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-5-3-4-7-6(5)2/h3-4,7H,1-2H3","InChI=1S/C6H9N/c1-6(2)4-3-5-7/h3,5,7H,1-2H3/b7-5+",100.51929,39.6492,
15473,[C:1]([c:2]1[c:3]([C:4]([H:11])([H:12])[H:13])[c:5]([H:14])[c:6]([H:15])[n:7]1[H:16])([H:8])([H:9])[H:10],[C+:1]([c:2]1[c:3]([C:4]([H:11])([H:12])[H:13])[c:5]([H:14])[c-:6][n:7]1[H:16])([H:8])[H:10].[H:9][H:15],"InChI=1S/C6H9N/c1-5-3-4-7-6(5)2/h3-4,7H,1-2H3","InChI=1S/C6H7N.H2/c1-5-3-4-7-6(5)2;/h3,7H,2H2,1H3;1H",119.17943000000001,80.13403000000001,
15474,[C:1]([c:2]1[c:3]([C:4]([H:11])([H:12])[H:13])[c:5]([H:14])[c:6]([H:15])[n:7]1[H:16])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:3]([C:4]([H:11])([H:12])[H:13])[C:5]1(/[C:6](=[N:7]/[H:16])[H:15])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-5-3-4-7-6(5)2/h3-4,7H,1-2H3","InChI=1S/C6H9N/c1-4-5(2)6(4)3-7/h3,6-7H,1-2H3/b7-3+",88.4448,54.09397,
15475,[C:1]([c:2]1[c:3]([C:4]([H:11])([H:12])[H:13])[c:5]([H:14])[c:6]([H:15])[n:7]1[H:16])([H:8])([H:9])[H:10],[C:1]([C+:2]1[C@@:3]([C:4]([H:11])([H:12])[H:13])([H:14])[C-:5]=[C:6]([H:15])[N:7]1[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-5-3-4-7-6(5)2/h3-4,7H,1-2H3","InChI=1S/C6H9N/c1-5-3-4-7-6(5)2/h4-5,7H,1-2H3/t5-/m1/s1",78.29205,78.7615,
15476,[C:1]([c:2]1[c:3]([C:4]([H:11])([H:12])[H:13])[c:5]([H:14])[c:6]([H:15])[n:7]1[H:16])([H:8])([H:9])[H:10],[C:1](=[C:2]1[C@@:3]([C:4]([H:11])([H:12])[H:13])([H:9])[C:5]([H:14])=[C:6]([H:15])[N:7]1[H:16])([H:8])[H:10],"InChI=1S/C6H9N/c1-5-3-4-7-6(5)2/h3-4,7H,1-2H3","InChI=1S/C6H9N/c1-5-3-4-7-6(5)2/h3-5,7H,2H2,1H3/t5-/m1/s1",78.99465,22.08795,
15477,[C:1]([c:2]1[c:3]([C:4]([H:11])([H:12])[H:13])[c:5]([H:14])[c:6]([H:15])[n:7]1[H:16])([H:8])([H:9])[H:10],[C:1](=[C:2]1[C:3]([C:4]([H:11])([H:12])[H:13])=[C:5]([H:14])[C:6]([H:9])([H:15])[N:7]1[H:16])([H:8])[H:10],"InChI=1S/C6H9N/c1-5-3-4-7-6(5)2/h3-4,7H,1-2H3","InChI=1S/C6H9N/c1-5-3-4-7-6(5)2/h3,7H,2,4H2,1H3",82.23988,18.046960000000002,Intra_ene_reaction
15478,[C:1]([c:2]1[c:3]([C:4]([H:11])([H:12])[H:13])[c:5]([H:14])[c:6]([H:15])[n:7]1[H:16])([H:8])([H:9])[H:10],[C-:1](=[C:2]1[C:3]([C:4]([H:11])([H:12])[H:13])=[C:5]([H:14])[C+:6]([H:15])[N:7]1[H:16])[H:10].[H:8][H:9],"InChI=1S/C6H9N/c1-5-3-4-7-6(5)2/h3-4,7H,1-2H3","InChI=1S/C6H7N.H2/c1-5-3-4-7-6(5)2;/h2-4,7H,1H3;1H",81.27551,86.90669,
15479,[C:1]([c:2]1[c:3]([C:4]([H:11])([H:12])[H:13])[c:5]([H:14])[c:6]([H:15])[n:7]1[H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:16])[C:3]([C:4]([H:11])([H:12])[H:13])=[C:5]([H:14])[C:6]([H:15])=[N:7]1)([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-5-3-4-7-6(5)2/h3-4,7H,1-2H3","InChI=1S/C6H9N/c1-5-3-4-7-6(5)2/h3-4,6H,1-2H3/t6-/m0/s1",42.6623,13.790220000000001,
15480,[C:1]([c:2]1[c:3]([C:4]([H:11])([H:12])[H:13])[c:5]([H:14])[c:6]([H:15])[n:7]1[H:16])([H:8])([H:9])[H:10],[C:1]([C+:2]1[C:3]([C:4]([H:11])([H:12])[H:13])=[C-:5][C:6]([H:14])([H:15])[N:7]1[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-5-3-4-7-6(5)2/h3-4,7H,1-2H3","InChI=1S/C6H9N/c1-5-3-4-7-6(5)2/h7H,4H2,1-2H3",70.3095,65.00101,Singlet_Carbene_Intra_Disproportionation
15481,[C:1]([c:2]1[c:3]([C:4]([H:11])([H:12])[H:13])[c:5]([H:14])[c:6]([H:15])[n:7]1[H:16])([H:8])([H:9])[H:10],[C:1](/[C:2]([C:3]([C:4]([H:11])([H:12])[H:13])=[C:5]=[C:6]([H:14])[H:15])=[N:7]\[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-5-3-4-7-6(5)2/h3-4,7H,1-2H3","InChI=1S/C6H9N/c1-4-5(2)6(3)7/h7H,1H2,2-3H3/b7-6+",70.42464,38.71115,
15482,[C:1]([c:2]1[c:3]([C:4]([H:11])([H:12])[H:13])[c:5]([H:14])[c:6]([H:15])[n:7]1[H:16])([H:8])([H:9])[H:10],[C:1](/[C:2]([C:3]1([C:4]([H:11])([H:12])[H:13])[C:5]([H:14])=[C:6]1[H:15])=[N:7]\[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-5-3-4-7-6(5)2/h3-4,7H,1-2H3","InChI=1S/C6H9N/c1-5(7)6(2)3-4-6/h3-4,7H,1-2H3/b7-5+",91.72343000000001,61.35541,
15483,[C:1]([c:2]1[c:3]([C:4]([H:11])([H:12])[H:13])[c:5]([H:14])[c:6]([H:15])[n:7]1[H:16])([H:8])([H:9])[H:10],[C:1]([C:3](=[C:2]1[C:5]([H:14])=[C:6]([H:15])[N:7]1[H:16])[C:4]([H:11])([H:12])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-5-3-4-7-6(5)2/h3-4,7H,1-2H3","InChI=1S/C6H9N/c1-5(2)6-3-4-7-6/h3-4,7H,1-2H3",162.01379,48.70961,
15484,[C:1]([c:2]1[c:3]([C:4]([H:11])([H:12])[H:13])[c:5]([H:14])[c:6]([H:15])[n:7]1[H:16])([H:8])([H:9])[H:10],[C:1]([C:2]1=[N:7][C:6]([H:15])=[C:5]([H:14])[C:3]1=[C:4]([H:11])[H:12])([H:8])([H:9])[H:10].[H:13][H:16],"InChI=1S/C6H9N/c1-5-3-4-7-6(5)2/h3-4,7H,1-2H3","InChI=1S/C6H7N.H2/c1-5-3-4-7-6(5)2;/h3-4H,1H2,2H3;1H",102.28372,41.11268,
15485,[C:1]([c:2]1[c:3]([C:4]([H:11])([H:12])[H:13])[c:5]([H:14])[c:6]([H:15])[n:7]1[H:16])([H:8])([H:9])[H:10],[C:1](=[C:2]1[C:3]([C:4]([H:11])([H:12])[H:13])=[C:5]([H:14])[C:6]([H:15])=[N:7]1)([H:8])[H:10].[H:9][H:16],"InChI=1S/C6H9N/c1-5-3-4-7-6(5)2/h3-4,7H,1-2H3","InChI=1S/C6H7N.H2/c1-5-3-4-7-6(5)2;/h3-4H,2H2,1H3;1H",77.84406,38.35394,
15486,[C:1]([c:2]1[c:3]([C:4]([H:11])([H:12])[H:13])[c:5]([H:14])[c:6]([H:15])[n:7]1[H:16])([H:8])([H:9])[H:10],[C:1]([C:2]1([C:4]([H:11])([H:12])[H:13])[C-:3]=[C:5]([H:14])[C+:6]([H:15])[N:7]1[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-5-3-4-7-6(5)2/h3-4,7H,1-2H3","InChI=1S/C6H9N/c1-6(2)4-3-5-7-6/h3,5,7H,1-2H3",84.66098000000001,69.50363,
15487,[C:1]([c:2]1[c:3]([C:4]([H:11])([H:12])[H:13])[c:5]([H:14])[c:6]([H:15])[n:7]1[H:16])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:3]([C:4]([H:11])([H:12])[H:13])[C:5]([H:14])([H:15])[C:6][N:7]1[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-5-3-4-7-6(5)2/h3-4,7H,1-2H3","InChI=1S/C6H9N/c1-5-3-4-7-6(5)2/h7H,3H2,1-2H3",60.52908000000001,53.284,Singlet_Carbene_Intra_Disproportionation
15488,[C:1]([c:2]1[c:3]([C:4]([H:11])([H:12])[H:13])[c:5]([H:14])[c:6]([H:15])[n:7]1[H:16])([H:8])([H:9])[H:10],[C:1]([c:2]1[c:3]([C+:4]([H:11])[H:12])[c:5]([H:14])[c-:6][n:7]1[H:16])([H:8])([H:9])[H:10].[H:13][H:15],"InChI=1S/C6H9N/c1-5-3-4-7-6(5)2/h3-4,7H,1-2H3","InChI=1S/C6H7N.H2/c1-5-3-4-7-6(5)2;/h3,7H,1H2,2H3;1H",133.27681,95.52580999999999,
15489,[C:1]([c:2]1[c:3]([C:4]([H:11])([H:12])[H:13])[c:5]([H:14])[c:6]([H:15])[n:7]1[H:16])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:3]([C:4]([H:11])([H:12])[H:13])[C:5]([H:14])=[C-:6][N+:7]1([H:15])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-5-3-4-7-6(5)2/h3-4,7H,1-2H3","InChI=1S/C6H9N/c1-5-3-4-7-6(5)2/h3H,7H2,1-2H3",83.7273,75.31787,
15490,[C:1]([c:2]1[c:3]([C:4]([H:11])([H:12])[H:13])[c:5]([H:14])[c:6]([H:15])[n:7]1[H:16])([H:8])([H:9])[H:10],[C:1]([C+:2]1[C:3](=[C:4]([H:11])[H:12])[C-:5]=[C:6]([H:15])[N:7]1[H:16])([H:8])([H:9])[H:10].[H:13][H:14],"InChI=1S/C6H9N/c1-5-3-4-7-6(5)2/h3-4,7H,1-2H3","InChI=1S/C6H7N.H2/c1-5-3-4-7-6(5)2;/h4,7H,1H2,2H3;1H",105.21996999999999,103.19181999999999,
15491,[C:1]([c:2]1[c:3]([C:4]([H:11])([H:12])[H:13])[c:5]([H:14])[c:6]([H:15])[n:7]1[H:16])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]=[C:5]([C:4]([H:11])([H:12])[H:13])[H:14])[N:7]([C:6][H:15])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-5-3-4-7-6(5)2/h3-4,7H,1-2H3","InChI=1S/C6H9N/c1-4-5-6(2)7-3/h3-4,7H,1-2H3",153.02844,93.49327,
15492,[C:1]([c:2]1[c:3]([C:4]([H:11])([H:12])[H:13])[c:5]([H:14])[c:6]([H:15])[n:7]1[H:16])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C-:3][C@@:5]([C:4]([H:11])([H:12])[H:13])([H:14])[C+:6]([H:15])[N:7]1[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-5-3-4-7-6(5)2/h3-4,7H,1-2H3","InChI=1S/C6H9N/c1-5-3-6(2)7-4-5/h4-5,7H,1-2H3/t5-/m0/s1",97.57113000000001,81.16101,
15493,[C:1]([c:2]1[c:3]([C:4]([H:11])([H:12])[H:13])[c:5]([H:14])[c:6]([H:15])[n:7]1[H:16])([H:8])([H:9])[H:10],[C:1]([N+:7]1([H:16])[C-:2]=[C:3]([C:4]([H:11])([H:12])[H:13])[C:5]([H:14])=[C:6]1[H:15])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-5-3-4-7-6(5)2/h3-4,7H,1-2H3","InChI=1S/C6H9N/c1-6-3-4-7(2)5-6/h3-4,7H,1-2H3",103.3546,85.01886999999999,
15494,[C:1]([c:2]1[c:3]([C:4]([H:11])([H:12])[H:13])[c:5]([H:14])[c:6]([H:15])[n:7]1[H:16])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:13])[C:3](=[C:4]([H:11])[H:12])[C:5]([H:14])=[C:6]([H:15])[N:7]1[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-5-3-4-7-6(5)2/h3-4,7H,1-2H3","InChI=1S/C6H9N/c1-5-3-4-7-6(5)2/h3-4,6-7H,1H2,2H3/t6-/m0/s1",84.97026,20.94096,
15495,[C:1]([c:2]1[c:3]([C:4]([H:11])([H:12])[H:13])[c:5]([H:14])[c:6]([H:15])[n:7]1[H:16])([H:8])([H:9])[H:10],[C:1](=[c:2]1[c:3](=[C:4]([H:11])[H:12])[c:5]([H:14])[c:6]([H:15])[n:7]1[H:16])([H:8])[H:10].[H:9][H:13],"InChI=1S/C6H9N/c1-5-3-4-7-6(5)2/h3-4,7H,1-2H3","InChI=1S/C6H7N.H2/c1-5-3-4-7-6(5)2;/h3-4,7H,1-2H2;1H",58.54085,42.625659999999996,
15496,[C:1]([c:2]1[c:3]([C:4]([H:11])([H:12])[H:13])[c:5]([H:14])[c:6]([H:15])[n:7]1[H:16])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:3]([C:4]([H:11])([H:12])[H:13])[C:5]([H:14])([H:16])[C:6]([H:15])=[N:7]1)([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-5-3-4-7-6(5)2/h3-4,7H,1-2H3","InChI=1S/C6H9N/c1-5-3-4-7-6(5)2/h4H,3H2,1-2H3",41.60909,13.805539999999999,
15497,[C:1]([c:2]1[c:3]([C:4]([H:11])([H:12])[H:13])[c:5]([H:14])[c:6]([H:15])[n:7]1[H:16])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3](\[C:4]([H:11])([H:12])[H:13])[H:14])/[N+:7](=[C:6](\[C-:5])[H:15])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-5-3-4-7-6(5)2/h3-4,7H,1-2H3","InChI=1S/C6H8N/c1-4-6(3)7-5-2/h4-5H,1,3H3/q-1/p+1/b6-4+,7-5-",95.07528,104.97537,
15498,[C:1]([c:2]1[c:3]([C:4]([H:11])([H:12])[H:13])[c:5]([H:14])[c:6]([H:15])[n:7]1[H:16])([H:8])([H:9])[H:10],[C:1](=[C:2]1[C:3]([C:4]([H:11])([H:12])[H:13])=[C:5]=[C:6]([H:15])[N:7]1[H:16])([H:8])[H:10].[H:9][H:14],"InChI=1S/C6H9N/c1-5-3-4-7-6(5)2/h3-4,7H,1-2H3","InChI=1S/C6H7N.H2/c1-5-3-4-7-6(5)2;/h4,7H,2H2,1H3;1H",126.4853,90.46512,
15499,[C:1]([c:2]1[c:3]([C:4]([H:11])([H:12])[H:13])[c:5]([H:14])[c:6]([H:15])[n:7]1[H:16])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:3]=[C:5]([H:14])[C@:6]([C:4]([H:11])([H:12])[H:13])([H:15])[N:7]1[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H9N/c1-5-3-4-7-6(5)2/h3-4,7H,1-2H3","InChI=1S/C6H9N/c1-5-3-4-6(2)7-5/h3,5,7H,1-2H3/t5-/m1/s1",102.56747,65.03647,
15500,[C:1]([C:2]([C:3]([C:4]([C:5]([H:16])([H:17])[H:18])([H:14])[H:15])([C:6](=[O:7])[H:19])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:15].[C:2](=[C:3]([C@:4]([C:5]([H:16])([H:17])[H:18])([C:6](=[O:7])[H:19])[H:14])[H:13])([H:11])[H:12],"InChI=1S/C6H12O/c1-3-6(4-2)5-7/h5-6H,3-4H2,1-2H3","InChI=1S/C5H8O.CH4/c1-3-5(2)4-6;/h3-5H,1H2,2H3;1H4/t5-;/m0./s1",89.7092,16.76172,
15501,[C:1]([C:2]([C:3]([C:4]([C:5]([H:16])([H:17])[H:18])([H:14])[H:15])([C:6](=[O:7])[H:19])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2](/[C:3](=[C:4](/[C:5]([H:14])([H:16])[H:18])[H:15])[C:6](=[O:7])[H:19])([H:11])[H:12])([H:8])([H:9])[H:10].[H:13][H:17],"InChI=1S/C6H12O/c1-3-6(4-2)5-7/h5-6H,3-4H2,1-2H3","InChI=1S/C6H10O.H2/c1-3-6(4-2)5-7;/h3,5H,4H2,1-2H3;1H/b6-3-;",79.73716,23.9581,
15502,[C:1]([C:2]([C:3]([C:4]([C:5]([H:16])([H:17])[H:18])([H:14])[H:15])([C:6](=[O:7])[H:19])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C-:6]#[O+:7].[C:1]([C:2](/[C:3](=[C:4](\[C:5]([H:16])([H:17])[H:18])[H:14])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10].[H:15][H:19],"InChI=1S/C6H12O/c1-3-6(4-2)5-7/h5-6H,3-4H2,1-2H3","InChI=1S/C5H10.CO.H2/c1-3-5-4-2;1-2;/h3,5H,4H2,1-2H3;;1H/b5-3-;;",60.26664,27.76838,
15503,[C:1]([C:2]([C:3]([C:4]([C:5]([H:16])([H:17])[H:18])([H:14])[H:15])([C:6](=[O:7])[H:19])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C-:6]#[O+:7].[C:1]([C:2]([C:3](=[C:4]([H:14])[H:15])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10].[C:5]([H:16])([H:17])([H:18])[H:19],"InChI=1S/C6H12O/c1-3-6(4-2)5-7/h5-6H,3-4H2,1-2H3","InChI=1S/C4H8.CO.CH4/c1-3-4-2;1-2;/h3H,1,4H2,2H3;;1H4",74.40471,15.979029999999998,
15504,[C:1]([C:2]([C:3]([C:4]([C:5]([H:16])([H:17])[H:18])([H:14])[H:15])([C:6](=[O:7])[H:19])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([C:4]([C:5]([H:16])([H:17])[H:18])([H:14])[H:15])=[C:6]([O:7][H:13])[H:19])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-3-6(4-2)5-7/h5-6H,3-4H2,1-2H3","InChI=1S/C6H12O/c1-3-6(4-2)5-7/h5,7H,3-4H2,1-2H3",66.78151,7.31204,ketoenol
15505,[C:1]([C:2]([C:3]([C:4]([C:5]([H:16])([H:17])[H:18])([H:14])[H:15])([C:6](=[O:7])[H:19])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]1([H:9])([H:10])[C:2]([H:11])([H:12])[C@:3]([C:4]([C:5]([H:16])([H:17])[H:18])([H:14])[H:15])([H:13])[C:6]([H:8])([H:19])[O:7]1,"InChI=1S/C6H12O/c1-3-6(4-2)5-7/h5-6H,3-4H2,1-2H3","InChI=1S/C6H12O/c1-2-6-3-4-7-5-6/h6H,2-5H2,1H3/t6-/m1/s1",89.46862,6.8191,
15506,[C:1]([C:2]([C:3]([C:4]([C:5]([H:16])([H:17])[H:18])([H:14])[H:15])([C:6](=[O:7])[H:19])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([C:4]([C:5]([H:16])([H:17])[H:18])([H:14])[H:15])([C:6][O:7][H:19])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-3-6(4-2)5-7/h5-6H,3-4H2,1-2H3","InChI=1S/C6H12O/c1-3-6(4-2)5-7/h6-7H,3-4H2,1-2H3",80.93883000000001,55.359680000000004,
15507,[C:1]([C:2]([C:3]([C:4]([C:5]([H:16])([H:17])[H:18])([H:14])[H:15])([C:6](=[O:7])[H:19])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2](/[C:3](=[C:6](/[O:7][C:4]([C:5]([H:16])([H:17])[H:18])([H:14])[H:15])[H:19])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-3-6(4-2)5-7/h5-6H,3-4H2,1-2H3","InChI=1S/C6H12O/c1-3-5-6-7-4-2/h5-6H,3-4H2,1-2H3/b6-5+",74.40424,14.206029999999998,ketoenol
15508,[C:1]([C:2]([C:3]([C:4]([C:5]([H:16])([H:17])[H:18])([H:14])[H:15])([C:6](=[O:7])[H:19])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2](/[C:3](=[C:6](/[O:7][H:17])[H:19])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10].[C:4](=[C:5]([H:16])[H:18])([H:14])[H:15],"InChI=1S/C6H12O/c1-3-6(4-2)5-7/h5-6H,3-4H2,1-2H3","InChI=1S/C4H8O.C2H4/c1-2-3-4-5;1-2/h3-5H,2H2,1H3;1-2H2/b4-3+;",46.4077,29.10823,Retroene
15509,[C:1]([C:2]([C:3]([C:4]([C:5]([H:16])([H:17])[H:18])([H:14])[H:15])([C:6](=[O:7])[H:19])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C-:6]#[O+:7].[C:1]([C:2]([C:3]([C:4]([C:5]([H:16])([H:17])[H:18])([H:14])[H:19])([H:13])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-3-6(4-2)5-7/h5-6H,3-4H2,1-2H3","InChI=1S/C5H12.CO/c1-3-5-4-2;1-2/h3-5H2,1-2H3;",94.52131,-0.89805,"1,2_Insertion_CO"
15510,[C:1]([C:2]([C:3]([C:4]([C:5]([H:16])([H:17])[H:18])([H:14])[H:15])([C:6](=[O:7])[H:19])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C-:1]1([H:9])[C:2]([H:11])([H:12])[C@:3]([C:4]([C:5]([H:16])([H:17])[H:18])([H:14])[H:15])([H:13])[C:6]([H:19])=[O+:7]1.[H:8][H:10],"InChI=1S/C6H12O/c1-3-6(4-2)5-7/h5-6H,3-4H2,1-2H3","InChI=1S/C6H10O.H2/c1-2-6-3-4-7-5-6;/h4-6H,2-3H2,1H3;1H/t6-;/m1./s1",103.43786,77.59579000000001,
15511,[C:1]([C:2]([C:3]([C:4]([C:5]([H:16])([H:17])[H:18])([H:14])[H:15])([C:6](=[O:7])[H:19])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:3](/[C:6](=[O:7])[H:19])[H:13])[H:12])([H:8])([H:9])[H:10].[C:4](=[C:5]([H:16])[H:18])([H:14])[H:15].[H:11][H:17],"InChI=1S/C6H12O/c1-3-6(4-2)5-7/h5-6H,3-4H2,1-2H3","InChI=1S/C4H6O.C2H4.H2/c1-2-3-4-5;1-2;/h2-4H,1H3;1-2H2;1H/b3-2+;;",68.42300999999999,46.7589,
15512,[C:1]([C:2]([C:3]([C:4]([C:5]([H:16])([H:17])[H:18])([H:14])[H:15])([C:6](=[O:7])[H:19])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:3](/[C@:4]([C:5]([H:16])([H:17])[H:18])([C:6](=[O:7])[H:19])[H:14])[H:13])[H:12])([H:8])([H:9])[H:10].[H:11][H:15],"InChI=1S/C6H12O/c1-3-6(4-2)5-7/h5-6H,3-4H2,1-2H3","InChI=1S/C6H10O.H2/c1-3-4-6(2)5-7;/h3-6H,1-2H3;1H/b4-3+;/t6-;/m0./s1",81.83274,27.11225,
15513,[C:1]([C:2]([C:3]([C:4]([C:5]([H:16])([H:17])[H:18])([H:14])[H:15])([C:6](=[O:7])[H:19])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C@:2]([C:3]([C:4]([C:5]([H:16])([H:17])[H:18])([H:14])[H:15])([H:11])[H:13])([C:6](=[O:7])[H:19])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-3-6(4-2)5-7/h5-6H,3-4H2,1-2H3","InChI=1S/C6H12O/c1-3-4-6(2)5-7/h5-6H,3-4H2,1-2H3/t6-/m1/s1",85.45564,0.86345,
15514,[C:1]([C:2]([C:3]([C:4]([C:5]([H:16])([H:17])[H:18])([H:14])[H:15])([C:6](=[O:7])[H:19])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](=[C:2]([C@@:3]([C:4]([C:5]([H:16])([H:17])[H:18])([H:14])[H:15])([C:6](=[O:7])[H:19])[H:13])[H:12])([H:9])[H:10].[H:8][H:11],"InChI=1S/C6H12O/c1-3-6(4-2)5-7/h5-6H,3-4H2,1-2H3","InChI=1S/C6H10O.H2/c1-3-6(4-2)5-7;/h3,5-6H,1,4H2,2H3;1H/t6-;/m0./s1",109.36417,31.42515,
15515,[C:1]([C:2]([C:3]([C:4]([C:5]([H:16])([H:17])[H:18])([H:14])[H:15])([C:6](=[O:7])[H:19])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([C:4]([C:5]([H:16])([H:17])[H:18])([H:14])[H:15])([O+:7]=[C-:6][H:19])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-3-6(4-2)5-7/h5-6H,3-4H2,1-2H3","InChI=1S/C6H12O/c1-4-6(5-2)7-3/h3,6H,4-5H2,1-2H3",106.52193999999999,65.00575,
15516,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4]([O:5][H:16])([H:14])[H:15])[C:6]#[N:7])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]([H:11])[H:13])[C:6]#[N:7])([H:8])([H:9])[H:10].[C:4](=[O:5])([H:14])[H:15].[H:12][H:16],"InChI=1S/C5H9NO/c1-5(2,3-6)4-7/h7H,4H2,1-2H3","InChI=1S/C4H5N.CH2O.H2/c1-4(2)3-5;1-2;/h1H2,2H3;1H2;1H",61.39989,44.12045,
15517,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4]([O:5][H:16])([H:14])[H:15])[C:6]#[N:7])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4]([O:5][H:16])([H:14])[H:15])[N+:7]#[C-:6])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-5(2,3-6)4-7/h7H,4H2,1-2H3","InChI=1S/C5H9NO/c1-5(2,4-7)6-3/h7H,4H2,1-2H3",57.18231,23.50835,
15518,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4]([O:5][H:16])([H:14])[H:15])[C:6]#[N:7])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:6]#[N:7])[H:14])([H:8])([H:9])[H:10].[C:4]([O:5][H:16])[H:15],"InChI=1S/C5H9NO/c1-5(2,3-6)4-7/h7H,4H2,1-2H3","InChI=1S/C4H7N.CH2O/c1-4(2)3-5;1-2/h4H,1-2H3;1-2H",64.91888,71.83233,
15519,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4]([O:5][H:16])([H:14])[H:15])[C:6]#[N:7])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])=[C:6]=[N:7][C:4]([O:5][H:16])([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-5(2,3-6)4-7/h7H,4H2,1-2H3","InChI=1S/C5H9NO/c1-5(2)3-6-4-7/h7H,4H2,1-2H3",60.8729,21.42409,
15520,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4]([O:5][H:16])([H:14])[H:15])[C:6]#[N:7])([H:8])([H:9])[H:10],[C:1]([C:2]1([C:6]#[N:7])[C:3]([H:11])([H:13])[C:4]1([H:14])[H:15])([H:8])([H:9])[H:10].[O:5]([H:12])[H:16],"InChI=1S/C5H9NO/c1-5(2,3-6)4-7/h7H,4H2,1-2H3","InChI=1S/C5H7N.H2O/c1-5(4-6)2-3-5;/h2-3H2,1H3;1H2",86.86404,15.715029999999999,
15521,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4]([O:5][H:16])([H:14])[H:15])[C:6]#[N:7])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4](=[O:5])[H:15])[C:6]#[N:7])([H:8])([H:9])[H:10].[H:14][H:16],"InChI=1S/C5H9NO/c1-5(2,3-6)4-7/h7H,4H2,1-2H3","InChI=1S/C5H7NO.H2/c1-5(2,3-6)4-7;/h4H,1-2H3;1H",79.26405,19.24786,
15522,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4]([O:5][H:16])([H:14])[H:15])[C:6]#[N:7])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([C:4]([O:5][H:16])([H:14])[H:15])[C:3]([H:12])([H:13])[N:7]([H:11])[C:6]1)([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-5(2,3-6)4-7/h7H,4H2,1-2H3","InChI=1S/C5H9NO/c1-5(4-7)2-6-3-5/h6-7H,2,4H2,1H3/t5-/m1/s1",119.23598,68.90605,
15523,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4]([O:5][H:16])([H:14])[H:15])[C:6]#[N:7])([H:8])([H:9])[H:10],[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[C:4]([H:14])([H:15])[O:5]/[C:6]1=[N:7]\[H:16])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-5(2,3-6)4-7/h7H,4H2,1-2H3","InChI=1S/C5H9NO/c1-5(2)3-7-4(5)6/h6H,3H2,1-2H3/b6-4-",64.62345,6.85704,
15524,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4]([O:5][H:16])([H:14])[H:15])[C:6]#[N:7])([H:8])([H:9])[H:10],[C:1]([C:6]#[N:7])([H:8])([H:9])[H:10].[C:2]([C:3]([H:11])([H:12])[H:13])[C:4]([O:5][H:16])([H:14])[H:15],"InChI=1S/C5H9NO/c1-5(2,3-6)4-7/h7H,4H2,1-2H3","InChI=1S/C3H6O.C2H3N/c1-2-3-4;1-2-3/h4H,3H2,1H3;1H3",93.62238,91.25744,
15525,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4]([O:5][H:16])([H:14])[H:15])[C:6]#[N:7])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])=[C:4]([H:14])[H:15])([H:8])([H:9])[H:10].[O:5]([N+:7]#[C-:6])[H:16],"InChI=1S/C5H9NO/c1-5(2,3-6)4-7/h7H,4H2,1-2H3","InChI=1S/C4H8.CHNO/c1-4(2)3;1-2-3/h1H2,2-3H3;3H",93.01216,85.97383,
15526,[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4]([O:5][H:16])([H:14])[H:15])[C:6]#[N:7])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]([H:11])[H:13])[C:4]([O:5][H:16])([H:14])[H:15])([C:6]#[N:7])([H:9])[H:10].[H:8][H:12],"InChI=1S/C5H9NO/c1-5(2,3-6)4-7/h7H,4H2,1-2H3","InChI=1S/C5H7NO.H2/c1-5(4-7)2-3-6;/h7H,1-2,4H2;1H",111.90473,30.69906,
15527,[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C@@:4]3([H:13])[O:5][C@:6]1([H:14])[C@@:7]23[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]12[C:3]([H:11])([H:12])[O:5][C@:6]1([H:14])[C@@:7]2([C:4][H:13])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-6-2-3-4(6)5(6)7-3/h3-5H,2H2,1H3/t3-,4+,5-,6+/m1/s1","InChI=1S/C6H8O/c1-4-5-6(4,2)3-7-5/h1,4-5H,3H2,2H3/t4-,5+,6-/m0/s1",95.50539,80.04746999999999,
15528,[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C@@:4]3([H:13])[O:5][C@:6]1([H:14])[C@@:7]23[H:15])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]([H:11])[H:12])[C@:6]1([H:14])[O:5][C:4]([H:13])=[C:7]1[H:15])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-6-2-3-4(6)5(6)7-3/h3-5H,2H2,1H3/t3-,4+,5-,6+/m1/s1","InChI=1S/C6H8O/c1-5(2)6-3-4-7-6/h3-4,6H,1H2,2H3/t6-/m1/s1",41.99327,-20.815720000000002,
15529,[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C@@:4]3([H:13])[O:5][C@:6]1([H:14])[C@@:7]23[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:15])[C:3]([H:11])([H:12])[C@@:4]2([H:13])[O:5][C@:6]1([H:14])[C:7]2)([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-6-2-3-4(6)5(6)7-3/h3-5H,2H2,1H3/t3-,4+,5-,6+/m1/s1","InChI=1S/C6H8O/c1-4-2-5-3-6(4)7-5/h4-6H,2H2,1H3/t4-,5+,6+/m0/s1",53.05805,33.216029999999996,
15530,[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C@@:4]3([H:13])[O:5][C@:6]1([H:14])[C@@:7]23[H:15])([H:8])([H:9])[H:10],[C:1]([C@:2]1([C:6](=[O:5])[H:14])[C:3]([H:11])([H:12])[C:4]([H:13])=[C:7]1[H:15])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-6-2-3-4(6)5(6)7-3/h3-5H,2H2,1H3/t3-,4+,5-,6+/m1/s1","InChI=1S/C6H8O/c1-6(5-7)3-2-4-6/h2-3,5H,4H2,1H3/t6-/m1/s1",25.94342,-35.59187,
15531,[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C@@:4]3([H:13])[O:5][C@:6]1([H:14])[C@@:7]23[H:15])([H:8])([H:9])[H:10],[C:1]([C@:2]12[C:3]([H:11])=[C:4]([H:13])[C@@:7]1([H:15])[C@:6]2([O:5][H:12])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-6-2-3-4(6)5(6)7-3/h3-5H,2H2,1H3/t3-,4+,5-,6+/m1/s1","InChI=1S/C6H8O/c1-6-3-2-4(6)5(6)7/h2-5,7H,1H3/t4-,5+,6-/m0/s1",99.07777,-7.019489999999999,
15532,[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C@@:4]3([H:13])[O:5][C@:6]1([H:14])[C@@:7]23[H:15])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]([H:11])[H:12])[C:7]1([H:15])[C-:4]([H:13])[O+:5]=[C:6]1[H:14])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-6-2-3-4(6)5(6)7-3/h3-5H,2H2,1H3/t3-,4+,5-,6+/m1/s1","InChI=1S/C6H8O/c1-5(2)6-3-7-4-6/h3-4,6H,1H2,2H3",40.865559999999995,26.13666,
15533,[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C@@:4]3([H:13])[O:5][C@:6]1([H:14])[C@@:7]23[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:7]1([H:15])[C@@:4]2([H:13])[C:3]([H:11])([H:12])[C:2][C@:6]1([H:14])[O:5]2)([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-6-2-3-4(6)5(6)7-3/h3-5H,2H2,1H3/t3-,4+,5-,6+/m1/s1","InChI=1S/C6H8O/c1-4-5-2-3-6(4)7-5/h4-6H,2H2,1H3/t4-,5+,6-/m0/s1",86.40868,48.05041,
15534,[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C@@:4]3([H:13])[O:5][C@:6]1([H:14])[C@@:7]23[H:15])([H:8])([H:9])[H:10],[C:1](=[C:2]1[C:3]([H:11])([H:12])[C@@:4]2([H:13])[O+:5]=[C-:6][C@@:7]12[H:15])([H:9])[H:10].[H:8][H:14],"InChI=1S/C6H8O/c1-6-2-3-4(6)5(6)7-3/h3-5H,2H2,1H3/t3-,4+,5-,6+/m1/s1","InChI=1S/C6H6O.H2/c1-4-2-6-5(4)3-7-6;/h5-6H,1-2H2;1H/t5-,6+;/m0./s1",88.63078,53.90348,
15535,[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C@@:4]3([H:13])[O:5][C@:6]1([H:14])[C@@:7]23[H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C-:4]=[O+:5][C@:6]1([H:14])[C:7]2([H:13])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-6-2-3-4(6)5(6)7-3/h3-5H,2H2,1H3/t3-,4+,5-,6+/m1/s1","InChI=1S/C6H8O/c1-6-2-3-7-5(6)4-6/h5H,2,4H2,1H3/t5-,6+/m1/s1",58.42731,4.5138,
15536,[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C@@:4]3([H:13])[O:5][C@:6]1([H:14])[C@@:7]23[H:15])([H:8])([H:9])[H:10],[C:1]([C:2]12[C:3]([H:11])([H:12])[C:4]([H:13])([O+:5]=[C-:6]1)[C:7]2([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-6-2-3-4(6)5(6)7-3/h3-5H,2H2,1H3/t3-,4+,5-,6+/m1/s1","InChI=1S/C6H8O/c1-6-2-5(3-6)7-4-6/h5H,2-3H2,1H3",49.48186,12.0732,
15537,[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C@@:4]3([H:13])[O:5][C@:6]1([H:14])[C@@:7]23[H:15])([H:8])([H:9])[H:10],[C:1](=[C:2]1[C@@:3]2([H:12])[C@@:4]3([H:13])[O:5][C@:6]1([H:14])[C@@:7]23[H:15])([H:9])[H:10].[H:8][H:11],"InChI=1S/C6H8O/c1-6-2-3-4(6)5(6)7-3/h3-5H,2H2,1H3/t3-,4+,5-,6+/m1/s1","InChI=1S/C6H6O.H2/c1-2-3-4-5(2)7-6(3)4;/h3-6H,1H2;1H/t3-,4-,5+,6-;/m1./s1",82.55145,33.76311,
15538,[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C@@:4]3([H:13])[O:5][C@:6]1([H:14])[C@@:7]23[H:15])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:7]([H:15])[C@@:4]([O+:5]=[C-:6][H:14])([H:13])[C:3]1([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-6-2-3-4(6)5(6)7-3/h3-5H,2H2,1H3/t3-,4+,5-,6+/m1/s1","InChI=1S/C6H8O/c1-5-3-6(4-5)7-2/h2-3,6H,4H2,1H3/t6-/m0/s1",41.31728,28.38477,
15539,[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C@@:4]3([H:13])[O:5][C@:6]1([H:14])[C@@:7]23[H:15])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:6]([H:14])[O:5][C@:4]2([H:13])[C:3]([H:11])([H:12])[C@:7]12[H:15])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-6-2-3-4(6)5(6)7-3/h3-5H,2H2,1H3/t3-,4+,5-,6+/m1/s1","InChI=1S/C6H8O/c1-4-3-7-6-2-5(4)6/h3,5-6H,2H2,1H3/t5-,6-/m1/s1",75.37387,-38.27274,
15540,[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C@@:4]3([H:13])[O:5][C@:6]1([H:14])[C@@:7]23[H:15])([H:8])([H:9])[H:10],[C:1](=[C:2]([C:3]([C@@:4]1([H:13])[O:5][C:6]([H:14])=[C:7]1[H:15])([H:11])[H:12])[H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-6-2-3-4(6)5(6)7-3/h3-5H,2H2,1H3/t3-,4+,5-,6+/m1/s1","InChI=1S/C6H8O/c1-2-3-6-4-5-7-6/h2,4-6H,1,3H2/t6-/m1/s1",75.45969000000001,-17.16047,
15541,[C:1]([C@@:2]12[C:3]([H:11])([H:12])[C@@:4]3([H:13])[O:5][C@:6]1([H:14])[C@@:7]23[H:15])([H:8])([H:9])[H:10],[C:1]([C@:2]12[C:3]([H:11])([H:12])[C:4]([H:13])=[C:7]1[C@:6]2([O:5][H:15])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-6-2-3-4(6)5(6)7-3/h3-5H,2H2,1H3/t3-,4+,5-,6+/m1/s1","InChI=1S/C6H8O/c1-6-3-2-4(6)5(6)7/h2,5,7H,3H2,1H3/t5-,6+/m1/s1",99.68159,20.91893,
15542,[N:1]([c:2]1[n:3][o:4][c:5](=[O:6])[n:7]1[H:10])([H:8])[H:9],[C:5](=[O:6])=[N:7][H:10].[N:1]([C:2]#[N+:3][O-:4])([H:8])[H:9],"InChI=1S/C2H3N3O2/c3-1-4-2(6)7-5-1/h(H3,3,4,5,6)",InChI=1S/CH2N2O.CHNO/c2-1-3-4;2-1-3/h2H2;2H,53.75637,48.50527,
15543,[N:1]([c:2]1[n:3][o:4][c:5](=[O:6])[n:7]1[H:10])([H:8])[H:9],[C-:5]#[O+:6].[N:1](/[C:2]([N:3]=[O:4])=[N:7]\[H:10])([H:8])[H:9],"InChI=1S/C2H3N3O2/c3-1-4-2(6)7-5-1/h(H3,3,4,5,6)","InChI=1S/CH3N3O.CO/c2-1(3)4-5;1-2/h(H3,2,3);",65.94413,55.9277,
15544,[N:1]([c:2]1[n:3][o:4][c:5](=[O:6])[n:7]1[H:10])([H:8])[H:9],[N:1]([C:2](=[N:3][O:4][H:10])[N:7]=[C:5]=[O:6])([H:8])[H:9],"InChI=1S/C2H3N3O2/c3-1-4-2(6)7-5-1/h(H3,3,4,5,6)","InChI=1S/C2H3N3O2/c3-2(5-7)4-1-6/h7H,(H2,3,5)",74.76314,11.129389999999999,
15545,[N:1]([c:2]1[n:3][o:4][c:5](=[O:6])[n:7]1[H:10])([H:8])[H:9],[N:1]([C:2]([N:3]1[O:4][C:5]1=[O:6])=[N:7][H:10])([H:8])[H:9],"InChI=1S/C2H3N3O2/c3-1-4-2(6)7-5-1/h(H3,3,4,5,6)","InChI=1S/C2H3N3O2/c3-1(4)5-2(6)7-5/h(H3,3,4)",61.45491,41.82025,
15546,[N:1]([c:2]1[n:3][o:4][c:5](=[O:6])[n:7]1[H:10])([H:8])[H:9],[C:5](=[O:6])=[N:7][H:10].[N:1]([C:2]1=[N:3][O:4]1)([H:8])[H:9],"InChI=1S/C2H3N3O2/c3-1-4-2(6)7-5-1/h(H3,3,4,5,6)","InChI=1S/CH2N2O.CHNO/c2-1-3-4-1;2-1-3/h(H2,2,3);2H",78.20926,51.471920000000004,
15547,[N:1]([c:2]1[n:3][o:4][c:5](=[O:6])[n:7]1[H:10])([H:8])[H:9],[N+:1]([c:2]1[n-:3][o:4][c:5](=[O:6])[n:7]=1)([H:8])([H:9])[H:10],"InChI=1S/C2H3N3O2/c3-1-4-2(6)7-5-1/h(H3,3,4,5,6)","InChI=1S/C2H3N3O2/c3-1-4-2(6)7-5-1/h(H3,3,4,5,6)",53.139480000000006,37.74362,
15548,[N:1]([c:2]1[n:3][o:4][c:5](=[O:6])[n:7]1[H:10])([H:8])[H:9],[N:1](=[c:2]1\[n:3]([H:8])[o:4][c:5](=[O:6])[n:7]1[H:10])\[H:9],"InChI=1S/C2H3N3O2/c3-1-4-2(6)7-5-1/h(H3,3,4,5,6)","InChI=1S/C2H3N3O2/c3-1-4-2(6)7-5-1/h(H3,3,4,5,6)",51.768609999999995,8.19392,
15549,[N:1]([c:2]1[n:3][o:4][c:5](=[O:6])[n:7]1[H:10])([H:8])[H:9],[N:1]([c:2]1[n:3][o:4][c:5]([O:6][H:10])[n:7]1)([H:8])[H:9],"InChI=1S/C2H3N3O2/c3-1-4-2(6)7-5-1/h(H3,3,4,5,6)","InChI=1S/C2H3N3O2/c3-1-4-2(6)7-5-1/h(H3,3,4,5,6)",49.63645,5.60968,ketoenol
15550,[N:1]([c:2]1[n:3][o:4][c:5](=[O:6])[n:7]1[H:10])([H:8])[H:9],[N:1]([c:2]1[n:3]([H:10])[o:4][c:5](=[O:6])[n:7]1)([H:8])[H:9],"InChI=1S/C2H3N3O2/c3-1-4-2(6)7-5-1/h(H3,3,4,5,6)","InChI=1S/C2H3N3O2/c3-1-4-2(6)7-5-1/h(H3,3,4,5,6)",71.87568,5.74595,
15551,[N:1]([c:2]1[n:3][o:4][c:5](=[O:6])[n:7]1[H:10])([H:8])[H:9],[N:1]([C:2]1=[N:3][N:7]1[H:10])([H:8])[H:9].[O:4]=[C:5]=[O:6],"InChI=1S/C2H3N3O2/c3-1-4-2(6)7-5-1/h(H3,3,4,5,6)","InChI=1S/CH3N3.CO2/c2-1-3-4-1;2-1-3/h(H3,2,3,4);",63.810719999999996,27.41215,
15552,[N:1]([c:2]1[n:3][o:4][c:5](=[O:6])[n:7]1[H:10])([H:8])[H:9],[N+:1]1([H:8])([H:9])[C:2](=[N:7][H:10])[N-:3]1.[O:4]=[C:5]=[O:6],"InChI=1S/C2H3N3O2/c3-1-4-2(6)7-5-1/h(H3,3,4,5,6)","InChI=1S/CH3N3.CO2/c2-1-3-4-1;2-1-3/h3H2,(H-,2,4);",48.2535,7.01692,
15553,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])=[C:5]([H:11])[C:6]([H:12])([H:13])[N:7]1[H:14],[O:1]1/[C:2](=[N:7]\[H:14])[C:3]([H:8])([H:9])[C:4]([H:10])=[C:5]([H:11])[C:6]1([H:12])[H:13],"InChI=1S/C5H7NO/c7-5-3-1-2-4-6-5/h1-2H,3-4H2,(H,6,7)","InChI=1S/C5H7NO/c6-5-3-1-2-4-7-5/h1-2,6H,3-4H2/b6-5-",93.04163,18.397070000000003,ketoenol
15554,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])=[C:5]([H:11])[C:6]([H:12])([H:13])[N:7]1[H:14],[H:8][H:14].[O:1]=[C:2]1[C+:3]([H:9])[C:4]([H:10])=[C:5]([H:11])[C:6]([H:12])([H:13])[N-:7]1,"InChI=1S/C5H7NO/c7-5-3-1-2-4-6-5/h1-2H,3-4H2,(H,6,7)","InChI=1S/C5H5NO.H2/c7-5-3-1-2-4-6-5;/h1-3H,4H2;1H",103.07141999999999,71.84042,
15555,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])=[C:5]([H:11])[C:6]([H:12])([H:13])[N:7]1[H:14],[C:3](=[C:4]([C:5](=[C:6]([H:12])[H:13])[H:11])[H:10])([H:8])[H:9].[O:1]=[C:2]=[N:7][H:14],"InChI=1S/C5H7NO/c7-5-3-1-2-4-6-5/h1-2H,3-4H2,(H,6,7)","InChI=1S/C4H6.CHNO/c1-3-4-2;2-1-3/h3-4H,1-2H2;2H",51.561659999999996,23.35163,Diels_alder_addition
15556,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])=[C:5]([H:11])[C:6]([H:12])([H:13])[N:7]1[H:14],[O:1]([C+:2]1[C:3]([H:8])([H:9])[C:4]([H:10])=[C:5]([H:11])[C-:6]([H:13])[N:7]1[H:14])[H:12],"InChI=1S/C5H7NO/c7-5-3-1-2-4-6-5/h1-2H,3-4H2,(H,6,7)","InChI=1S/C5H7NO/c7-5-3-1-2-4-6-5/h1-2,4,6-7H,3H2",82.17017,46.24462,
15557,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])=[C:5]([H:11])[C:6]([H:12])([H:13])[N:7]1[H:14],[H:9][H:11].[O-:1][C:2]1=[C:3]([H:8])[C:4]([H:10])=[C+:5][C:6]([H:12])([H:13])[N:7]1[H:14],"InChI=1S/C5H7NO/c7-5-3-1-2-4-6-5/h1-2H,3-4H2,(H,6,7)","InChI=1S/C5H5NO.H2/c7-5-3-1-2-4-6-5;/h1,3,6H,4H2;1H",106.86668,86.57769,
15558,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])=[C:5]([H:11])[C:6]([H:12])([H:13])[N:7]1[H:14],[H:9][H:13].[O:1]=[c:2]1[c:3]([H:8])[c:4]([H:10])[c:5]([H:11])[c:6]([H:12])[n:7]1[H:14],"InChI=1S/C5H7NO/c7-5-3-1-2-4-6-5/h1-2H,3-4H2,(H,6,7)","InChI=1S/C5H5NO.H2/c7-5-3-1-2-4-6-5;/h1-4H,(H,6,7);1H",43.1847,5.56076,
15559,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])=[C:5]([H:11])[C:6]([H:12])([H:13])[N:7]1[H:14],[O:1]([C:2]1=[N:7][C:6]([H:12])([H:13])[C:5]([H:11])=[C:4]([H:10])[C:3]1([H:8])[H:9])[H:14],"InChI=1S/C5H7NO/c7-5-3-1-2-4-6-5/h1-2H,3-4H2,(H,6,7)","InChI=1S/C5H7NO/c7-5-3-1-2-4-6-5/h1-2H,3-4H2,(H,6,7)",37.47234,6.6641,ketoenol
15560,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])=[C:5]([H:11])[C:6]([H:12])([H:13])[N:7]1[H:14],[O:1]1[C:2](=[C:3]([H:8])[H:9])[N:7]([H:14])[C:6]([H:12])([H:13])[C:5]([H:11])=[C:4]1[H:10],"InChI=1S/C5H7NO/c7-5-3-1-2-4-6-5/h1-2H,3-4H2,(H,6,7)","InChI=1S/C5H7NO/c1-5-6-3-2-4-7-5/h2,4,6H,1,3H2",104.96632,33.89985,ketoenol
15561,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])=[C:5]([H:11])[C:6]([H:12])([H:13])[N:7]1[H:14],[O:1]=[C:2]([C:3](/[C:4](=[C:5]([C:6](=[N:7]\[H:14])\[H:13])/[H:11])[H:10])([H:8])[H:9])[H:12],"InChI=1S/C5H7NO/c7-5-3-1-2-4-6-5/h1-2H,3-4H2,(H,6,7)","InChI=1S/C5H7NO/c6-4-2-1-3-5-7/h1-2,4-6H,3H2/b2-1-,6-4+",76.16067,27.24708,
15562,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])=[C:5]([H:11])[C:6]([H:12])([H:13])[N:7]1[H:14],[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:11])[C:5][C:6]([H:12])([H:13])[N:7]1[H:14],"InChI=1S/C5H7NO/c7-5-3-1-2-4-6-5/h1-2H,3-4H2,(H,6,7)","InChI=1S/C5H7NO/c7-5-3-1-2-4-6-5/h1,3-4H2,(H,6,7)",69.60225,72.19979000000001,Singlet_Carbene_Intra_Disproportionation
15563,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])=[C:5]([H:11])[C:6]([H:12])([H:13])[N:7]1[H:14],[O:1]([C+:2]1[C:3]([H:8])([H:9])[C-:4]=[C:5]([H:11])[C:6]([H:12])([H:13])[N:7]1[H:14])[H:10],"InChI=1S/C5H7NO/c7-5-3-1-2-4-6-5/h1-2H,3-4H2,(H,6,7)","InChI=1S/C5H7NO/c7-5-3-1-2-4-6-5/h2,6-7H,3-4H2",96.7096,77.65879,
15564,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])=[C:5]([H:11])[C:6]([H:12])([H:13])[N:7]1[H:14],[O:1]=[C:2]=[N:7][C:6]([C:5]([C:4](=[C:3]([H:8])[H:9])[H:10])([H:11])[H:14])([H:12])[H:13],"InChI=1S/C5H7NO/c7-5-3-1-2-4-6-5/h1-2H,3-4H2,(H,6,7)","InChI=1S/C5H7NO/c1-2-3-4-6-5-7/h2H,1,3-4H2",74.03856,10.30463,
15565,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])=[C:5]([H:11])[C:6]([H:12])([H:13])[N:7]1[H:14],[O:1]1[C@:2]2([C:3]1([H:8])[H:9])[C:4]([H:10])=[C:5]([H:11])[C:6]([H:12])([H:13])[N:7]2[H:14],"InChI=1S/C5H7NO/c7-5-3-1-2-4-6-5/h1-2H,3-4H2,(H,6,7)","InChI=1S/C5H7NO/c1-2-5(4-7-5)6-3-1/h1-2,6H,3-4H2/t5-/m0/s1",98.33722,44.25127,
15566,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])=[C:5]([H:11])[C:6]([H:12])([H:13])[N:7]1[H:14],[O:1]=[C:2]1[C:3]([H:8])=[C:4]([H:10])[C:5]([H:9])([H:11])[C:6]([H:12])([H:13])[N:7]1[H:14],"InChI=1S/C5H7NO/c7-5-3-1-2-4-6-5/h1-2H,3-4H2,(H,6,7)","InChI=1S/C5H7NO/c7-5-3-1-2-4-6-5/h1,3H,2,4H2,(H,6,7)",64.85895,-1.37821,
15567,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])=[C:5]([H:11])[C:6]([H:12])([H:13])[N:7]1[H:14],[O:1]([C:2]1=[C:3]([H:9])[C:4]([H:10])=[C:5]([H:11])[C:6]([H:12])([H:13])[N:7]1[H:14])[H:8],"InChI=1S/C5H7NO/c7-5-3-1-2-4-6-5/h1-2H,3-4H2,(H,6,7)","InChI=1S/C5H7NO/c7-5-3-1-2-4-6-5/h1-3,6-7H,4H2",58.50761,16.8928,ketoenol
15568,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])=[C:5]([H:11])[C:6]([H:12])([H:13])[N:7]1[H:14],[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])([H:12])[C:5]([H:11])=[C:6]([H:13])[N:7]1[H:14],"InChI=1S/C5H7NO/c7-5-3-1-2-4-6-5/h1-2H,3-4H2,(H,6,7)","InChI=1S/C5H7NO/c7-5-3-1-2-4-6-5/h2,4H,1,3H2,(H,6,7)",60.20123,-4.49366,
15569,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])=[C:5]([H:11])[C:6]([H:12])([H:13])[N:7]1[H:14],[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4][C:5]([H:10])([H:11])[C:6]([H:12])([H:13])[N:7]1[H:14],"InChI=1S/C5H7NO/c7-5-3-1-2-4-6-5/h1-2H,3-4H2,(H,6,7)","InChI=1S/C5H7NO/c7-5-3-1-2-4-6-5/h2-4H2,(H,6,7)",72.73212,73.47721999999999,Singlet_Carbene_Intra_Disproportionation
15570,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])=[C:5]([H:11])[C:6]([H:12])([H:13])[N:7]1[H:14],[O:1]1/[C:2](=[N:7]\[H:14])[C:3]([H:8])([H:9])[C@:4]1([C:5](=[C:6]([H:12])[H:13])[H:11])[H:10],"InChI=1S/C5H7NO/c7-5-3-1-2-4-6-5/h1-2H,3-4H2,(H,6,7)","InChI=1S/C5H7NO/c1-2-4-3-5(6)7-4/h2,4,6H,1,3H2/b6-5-/t4-/m1/s1",64.98574,32.88507,
15571,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])=[C:5]([H:11])[C:6]([H:12])([H:13])[N:7]1[H:14],[H:11][H:12].[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])=[C:5]=[C:6]([H:13])[N:7]1[H:14],"InChI=1S/C5H7NO/c7-5-3-1-2-4-6-5/h1-2H,3-4H2,(H,6,7)","InChI=1S/C5H5NO.H2/c7-5-3-1-2-4-6-5;/h1,4H,3H2,(H,6,7);1H",79.79201,65.55606,
15572,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])=[C:5]([H:11])[C:6]([H:12])([H:13])[N:7]1[H:14],[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])=[C:5]([H:11])[C-:6]([H:12])[N+:7]1([H:13])[H:14],"InChI=1S/C5H7NO/c7-5-3-1-2-4-6-5/h1-2H,3-4H2,(H,6,7)","InChI=1S/C5H7NO/c7-5-3-1-2-4-6-5/h1-2,4H,3,6H2",76.5442,60.81179,
15573,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])=[C:5]([H:11])[C:6]([H:12])([H:13])[N:7]1[H:14],[O:1]=[C:2]1[C@:5]([C:4](=[C:3]([H:8])[H:9])[H:10])([H:11])[C:6]([H:12])([H:13])[N:7]1[H:14],"InChI=1S/C5H7NO/c7-5-3-1-2-4-6-5/h1-2H,3-4H2,(H,6,7)","InChI=1S/C5H7NO/c1-2-4-3-6-5(4)7/h2,4H,1,3H2,(H,6,7)/t4-/m0/s1",74.74636,20.816370000000003,
15574,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])=[C:5]([H:11])[C:6]([H:12])([H:13])[N:7]1[H:14],[H:12][H:13].[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])=[C:5]([H:11])[C-:6]=[N+:7]1[H:14],"InChI=1S/C5H7NO/c7-5-3-1-2-4-6-5/h1-2H,3-4H2,(H,6,7)","InChI=1S/C5H5NO.H2/c7-5-3-1-2-4-6-5;/h1-2,6H,3H2;1H",68.42744,65.58451,
15575,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])=[C:5]([H:11])[C:6]([H:12])([H:13])[N:7]1[H:14],[O-:1][C:2]1=[C:3]([H:9])[C:4]([H:10])=[C:5]([H:11])[C:6]([H:12])([H:13])[N+:7]1([H:8])[H:14],"InChI=1S/C5H7NO/c7-5-3-1-2-4-6-5/h1-2H,3-4H2,(H,6,7)","InChI=1S/C5H7NO/c7-5-3-1-2-4-6-5/h1-3,6-7H,4H2",67.09595999999999,25.30849,
15576,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])=[C:5]([H:11])[C:6]([H:12])([H:13])[N:7]1[H:14],[O:1]=[C:2]=[N:7][C:6](/[C:5](=[C:4](\[C:3]([H:8])([H:9])[H:14])[H:10])[H:11])([H:12])[H:13],"InChI=1S/C5H7NO/c7-5-3-1-2-4-6-5/h1-2H,3-4H2,(H,6,7)","InChI=1S/C5H7NO/c1-2-3-4-6-5-7/h2-3H,4H2,1H3/b3-2-",91.53741,9.01552,
15577,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])=[C:5]([H:11])[C:6]([H:12])([H:13])[N:7]1[H:14],[O:1][C:2]([C:3](/[C:4](=[C:5](\[C:6]([H:12])([H:13])[H:14])[H:11])[H:10])([H:8])[H:9])=[N:7],"InChI=1S/C5H7NO/c7-5-3-1-2-4-6-5/h1-2H,3-4H2,(H,6,7)","InChI=1S/C5H7NO/c1-2-3-4-5(6)7/h2-3H,4H2,1H3/b3-2-",77.70356,78.77561999999999,
15578,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])=[C:5]([H:11])[C:6]([H:12])([H:13])[N:7]1[H:14],[C:6](=[N:7][H:14])([H:12])[H:13].[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])=[C:5]1[H:11],"InChI=1S/C5H7NO/c7-5-3-1-2-4-6-5/h1-2H,3-4H2,(H,6,7)","InChI=1S/C4H4O.CH3N/c5-4-2-1-3-4;1-2/h1-2H,3H2;2H,1H2",104.92701000000001,56.373509999999996,
15579,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])=[C:5]([H:11])[C:6]([H:12])([H:13])[N:7]1[H:14],[O:1]=[C:2]1[C:3]([H:8])([H:9])[C@@:4]1([C@:5]1([H:11])[C:6]([H:12])([H:13])[N:7]1[H:14])[H:10],"InChI=1S/C5H7NO/c7-5-3-1-2-4-6-5/h1-2H,3-4H2,(H,6,7)","InChI=1S/C5H7NO/c7-5-1-3(5)4-2-6-4/h3-4,6H,1-2H2/t3-,4+/m1/s1",95.63905,63.4828,
15580,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])=[C:5]([H:11])[C:6]([H:12])([H:13])[N:7]1[H:14],[O:1]=[C:2]([C:3]([C:4](=[C:5]=[C:6]([H:12])[H:13])[H:10])([H:8])[H:9])[N:7]([H:11])[H:14],"InChI=1S/C5H7NO/c7-5-3-1-2-4-6-5/h1-2H,3-4H2,(H,6,7)","InChI=1S/C5H7NO/c1-2-3-4-5(6)7/h3H,1,4H2,(H2,6,7)",102.4646,21.781129999999997,
15581,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])=[C:5]([H:11])[C:6]([H:12])([H:13])[N:7]1[H:14],[C:3]([C:4]1=[C:5]([H:11])[C:6]([H:12])([H:13])[N:7]1[H:14])([H:8])([H:9])[H:10].[O+:1]#[C-:2],"InChI=1S/C5H7NO/c7-5-3-1-2-4-6-5/h1-2H,3-4H2,(H,6,7)","InChI=1S/C4H7N.CO/c1-4-2-3-5-4;1-2/h2,5H,3H2,1H3;",148.03178,44.94155,
15582,[O:1]=[C:2]1[C:3]([H:8])([H:9])[C:4]([H:10])=[C:5]([H:11])[C:6]([H:12])([H:13])[N:7]1[H:14],[O:1]=[C:2]1[C:4]([C:3]([H:8])([H:9])[H:10])=[C:5]([H:11])[C:6]([H:12])([H:13])[N:7]1[H:14],"InChI=1S/C5H7NO/c7-5-3-1-2-4-6-5/h1-2H,3-4H2,(H,6,7)","InChI=1S/C5H7NO/c1-4-2-3-6-5(4)7/h2H,3H2,1H3,(H,6,7)",130.71818000000002,-5.81979,
15583,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]1([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[O:7]1)[H:12],[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]1([C@@:4]([C:5][H:14])([O:7][C:6]([H:15])([H:16])[H:17])[H:13])[H:12],"InChI=1S/C6H10O/c1-2-5(1)6-3-4-7-6/h5-6H,1-4H2/t6-/m1/s1","InChI=1S/C6H10O/c1-5(7-2)6-3-4-6/h1,5-6H,3-4H2,2H3/t5-/m1/s1",85.18523,80.66038,
15584,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]1([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[O:7]1)[H:12],[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]1([C:4](=[O:7])[H:13])[H:12].[C:5](=[C:6]([H:16])[H:17])([H:14])[H:15],"InChI=1S/C6H10O/c1-2-5(1)6-3-4-7-6/h5-6H,1-4H2/t6-/m1/s1","InChI=1S/C4H6O.C2H4/c5-3-4-1-2-4;1-2/h3-4H,1-2H2;1-2H2",49.73338,-0.9142299999999999,2+2_cycloaddition
15585,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]1([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[O:7]1)[H:12],[C:1](=[C:2]([H:10])[H:11])([H:8])[H:9].[C:3]1([H:12])=[C:4]([H:13])[O:7][C:6]([H:16])([H:17])[C:5]1([H:14])[H:15],"InChI=1S/C6H10O/c1-2-5(1)6-3-4-7-6/h5-6H,1-4H2/t6-/m1/s1","InChI=1S/C4H6O.C2H4/c1-2-4-5-3-1;1-2/h1,3H,2,4H2;1-2H2",87.73264,-1.95612,
15586,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]1([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[O:7]1)[H:12],[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]1([C@@:4]([C:5]([H:14])([H:15])[H:17])([O+:7]=[C-:6][H:16])[H:13])[H:12],"InChI=1S/C6H10O/c1-2-5(1)6-3-4-7-6/h5-6H,1-4H2/t6-/m1/s1","InChI=1S/C6H10O/c1-5(7-2)6-3-4-6/h2,5-6H,3-4H2,1H3/t5-/m1/s1",78.44261,47.15794,
15587,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]1([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[O:7]1)[H:12],[C:1]([C:2]([H:10])([H:11])[H:13])(/[C:3](=[C:4]1/[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[O:7]1)[H:12])([H:8])[H:9],"InChI=1S/C6H10O/c1-2-5(1)6-3-4-7-6/h5-6H,1-4H2/t6-/m1/s1","InChI=1S/C6H10O/c1-2-3-6-4-5-7-6/h3H,2,4-5H2,1H3/b6-3-",67.54594,-11.157789999999999,
15588,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]1([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[O:7]1)[H:12],[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]([H:12])=[C:4]([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[O:7]1,"InChI=1S/C6H10O/c1-2-5(1)6-3-4-7-6/h5-6H,1-4H2/t6-/m1/s1","InChI=1S/C6H10O/c1-2-4-6-7-5-3-1/h1-2H,3-6H2",58.38106,-17.77736,
15589,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]1([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[O:7]1)[H:12],[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]12[C@@:4]1([H:13])[C@:5]2([H:15])[C:6]([H:16])([H:17])[O:7]1.[H:12][H:14],"InChI=1S/C6H10O/c1-2-5(1)6-3-4-7-6/h5-6H,1-4H2/t6-/m1/s1","InChI=1S/C6H8O.H2/c1-2-6(1)4-3-7-5(4)6;/h4-5H,1-3H2;1H/t4-,5+;/m0./s1",112.67499,49.51123,
15590,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]1([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[O:7]1)[H:12],[C:1]([C:2]([H:10])([H:11])[H:12])([C:3][C@@:4]1([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[O:7]1)([H:8])[H:9],"InChI=1S/C6H10O/c1-2-5(1)6-3-4-7-6/h5-6H,1-4H2/t6-/m1/s1","InChI=1S/C6H10O/c1-2-3-6-4-5-7-6/h6H,2,4-5H2,1H3/t6-/m0/s1",62.31619,63.29671,
15591,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]1([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[O:7]1)[H:12],[C-:4]1=[O+:7][C:6]([H:16])([H:17])[C:5]1([H:14])[H:15].[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]1([H:12])[H:13],"InChI=1S/C6H10O/c1-2-5(1)6-3-4-7-6/h5-6H,1-4H2/t6-/m1/s1",InChI=1S/C3H4O.C3H6/c1-2-4-3-1;1-2-3-1/h1-2H2;1-3H2,75.26359000000001,65.85226,
15592,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]1([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[O:7]1)[H:12],[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]1([C@@:4]1([H:13])[C:5]([H:14])=[C:6]([H:17])[O:7]1)[H:12].[H:15][H:16],"InChI=1S/C6H10O/c1-2-5(1)6-3-4-7-6/h5-6H,1-4H2/t6-/m1/s1","InChI=1S/C6H8O.H2/c1-2-5(1)6-3-4-7-6;/h3-6H,1-2H2;1H/t6-;/m1./s1",106.18095,32.89951,
15593,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]1([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[O:7]1)[H:12],[C:1](=[C:3]([C:2]([H:10])([H:11])[H:15])[H:12])([H:8])[H:9].[C:4]1([H:13])=[C:5]([H:14])[C:6]([H:16])([H:17])[O:7]1,"InChI=1S/C6H10O/c1-2-5(1)6-3-4-7-6/h5-6H,1-4H2/t6-/m1/s1","InChI=1S/C3H4O.C3H6/c1-2-4-3-1;1-3-2/h1-2H,3H2;3H,1H2,2H3",69.09536999999999,20.49304,
15594,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]1([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[O:7]1)[H:12],[C-:1]1([H:8])[C:2]([H:10])([H:11])[C@:3]1([C:4]1=[O+:7][C:6]([H:16])([H:17])[C:5]1([H:14])[H:15])[H:12].[H:9][H:13],"InChI=1S/C6H10O/c1-2-5(1)6-3-4-7-6/h5-6H,1-4H2/t6-/m1/s1","InChI=1S/C6H8O.H2/c1-2-5(1)6-3-4-7-6;/h1,5H,2-4H2;1H/t5-;/m0./s1",106.51725,80.17286999999999,
15595,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]1([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[O:7]1)[H:12],[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]1([C:4](=[C:5]([H:14])[H:15])[H:13])[H:12].[C:6](=[O:7])([H:16])[H:17],"InChI=1S/C6H10O/c1-2-5(1)6-3-4-7-6/h5-6H,1-4H2/t6-/m1/s1","InChI=1S/C5H8.CH2O/c1-2-5-3-4-5;1-2/h2,5H,1,3-4H2;1H2",47.78047,8.31821,2+2_cycloaddition
15596,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]1([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[O:7]1)[H:12],[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]1=[C:4]([C:5]([H:12])([H:14])[H:15])[H:13].[C:6](=[O:7])([H:16])[H:17],"InChI=1S/C6H10O/c1-2-5(1)6-3-4-7-6/h5-6H,1-4H2/t6-/m1/s1","InChI=1S/C5H8.CH2O/c1-2-5-3-4-5;1-2/h2H,3-4H2,1H3;1H2",98.14205,13.19679,
15597,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]1([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[O:7]1)[H:12],[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]1([O:7][C:6]([C:5]([C:4][H:13])([H:14])[H:15])([H:16])[H:17])[H:12],"InChI=1S/C6H10O/c1-2-5(1)6-3-4-7-6/h5-6H,1-4H2/t6-/m1/s1","InChI=1S/C6H10O/c1-2-5-7-6-3-4-6/h1,6H,2-5H2",115.35027,87.22287,
15598,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]1([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[O:7]1)[H:12],[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]1([C:4][H:13])[H:12].[C:5]1([H:14])([H:15])[C:6]([H:16])([H:17])[O:7]1,"InChI=1S/C6H10O/c1-2-5(1)6-3-4-7-6/h5-6H,1-4H2/t6-/m1/s1","InChI=1S/C4H6.C2H4O/c1-4-2-3-4;1-2-3-1/h1,4H,2-3H2;1-2H2",112.47298,98.94841,
15599,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]1([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[O:7]1)[H:12],[C:1](=[C:2]([H:10])[H:11])([H:8])[H:9].[C:3](=[C:4]1[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[O:7]1)([H:12])[H:13],"InChI=1S/C6H10O/c1-2-5(1)6-3-4-7-6/h5-6H,1-4H2/t6-/m1/s1",InChI=1S/C4H6O.C2H4/c1-4-2-3-5-4;1-2/h1-3H2;1-2H2,81.64579,11.4657,
15600,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]1([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[O:7]1)[H:12],[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]1([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C-:6]=[O+:7]1)[H:12].[H:16][H:17],"InChI=1S/C6H10O/c1-2-5(1)6-3-4-7-6/h5-6H,1-4H2/t6-/m1/s1","InChI=1S/C6H8O.H2/c1-2-5(1)6-3-4-7-6;/h5-6H,1-3H2;1H/t6-;/m1./s1",76.22194,69.2705,
15601,[C:1]1([H:8])([H:9])[C:2]([H:10])([H:11])[C:3]1([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[O:7]1)[H:12],[C:1]([C:2]([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C:6]([H:16])([H:17])[O:7]1)([H:10])[H:11])([C:3][H:12])([H:8])[H:9],"InChI=1S/C6H10O/c1-2-5(1)6-3-4-7-6/h5-6H,1-4H2/t6-/m1/s1","InChI=1S/C6H10O/c1-2-3-6-4-5-7-6/h1,6H,2-5H2/t6-/m0/s1",96.76997,77.65431,
15602,[C:1]([C@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C@@:5]1([C:6]([H:14])([H:15])[H:16])[O:7][H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C:5]1)([H:8])([H:9])[H:10].[C:6]([O:7][H:17])([H:14])([H:15])[H:16],"InChI=1S/C5H10O2/c1-4(6)3-5(4,2)7/h6-7H,3H2,1-2H3/t4-,5+","InChI=1S/C4H6O.CH4O/c1-4(5)2-3-4;1-2/h5H,2H2,1H3;2H,1H3/t4-;/m1./s1",109.7292,107.63571999999999,
15603,[C:1]([C@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C@@:5]1([C:6]([H:14])([H:15])[H:16])[O:7][H:17])([H:8])([H:9])[H:10],[C:1]([C:2][C@@:5]([C:4]([O:3][H:11])([H:12])[H:13])([C:6]([H:14])([H:15])[H:16])[O:7][H:17])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-4(6)3-5(4,2)7/h6-7H,3H2,1-2H3/t4-,5+","InChI=1S/C5H10O2/c1-3-5(2,7)4-6/h6-7H,4H2,1-2H3/t5-/m1/s1",87.89350999999999,68.66452,
15604,[C:1]([C@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C@@:5]1([C:6]([H:14])([H:15])[H:16])[O:7][H:17])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:13].[C:2]1([O:3][H:11])=[C:4]([H:12])[C@:5]1([C:6]([H:14])([H:15])[H:16])[O:7][H:17],"InChI=1S/C5H10O2/c1-4(6)3-5(4,2)7/h6-7H,3H2,1-2H3/t4-,5+","InChI=1S/C4H6O2.CH4/c1-4(6)2-3(4)5;/h2,5-6H,1H3;1H4/t4-;/m0./s1",110.89397,33.456379999999996,
15605,[C:1]([C@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C@@:5]1([C:6]([H:14])([H:15])[H:16])[O:7][H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([O:3][H:11])[C:4]([H:12])=[C:5]1[C:6]([H:14])([H:15])[H:16])([H:8])([H:9])[H:10].[O:7]([H:13])[H:17],"InChI=1S/C5H10O2/c1-4(6)3-5(4,2)7/h6-7H,3H2,1-2H3/t4-,5+","InChI=1S/C5H8O.H2O/c1-4-3-5(4,2)6;/h3,6H,1-2H3;1H2/t5-;/m1./s1",64.18623000000001,30.986590000000003,
15606,[C:1]([C@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C@@:5]1([C:6]([H:14])([H:15])[H:16])[O:7][H:17])([H:8])([H:9])[H:10],[C:1](=[C:2]1[C:4]([H:12])([H:13])[C@:5]1([C:6]([H:14])([H:15])[H:16])[O:7][H:17])([H:8])[H:10].[O:3]([H:9])[H:11],"InChI=1S/C5H10O2/c1-4(6)3-5(4,2)7/h6-7H,3H2,1-2H3/t4-,5+","InChI=1S/C5H8O.H2O/c1-4-3-5(4,2)6;/h6H,1,3H2,2H3;1H2/t5-;/m0./s1",62.791290000000004,24.82033,"1,3_Insertion_ROR"
15607,[C:1]([C@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C@@:5]1([C:6]([H:14])([H:15])[H:16])[O:7][H:17])([H:8])([H:9])[H:10],[C:1](/[C:2]([O:3][H:11])=[C:4](/[C@@:5]([C:6]([H:14])([H:15])[H:16])([O:7][H:17])[H:12])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-4(6)3-5(4,2)7/h6-7H,3H2,1-2H3/t4-,5+","InChI=1S/C5H10O2/c1-4(6)3-5(2)7/h3-4,6-7H,1-2H3/b5-3-/t4-/m1/s1",63.06735,-15.539129999999998,
15608,[C:1]([C@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C@@:5]1([C:6]([H:14])([H:15])[H:16])[O:7][H:17])([H:8])([H:9])[H:10],[C:1]([C:2]([O:3][H:11])([C:4]([H:12])([H:13])[H:17])[C:5]([C:6]([H:14])([H:15])[H:16])=[O:7])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-4(6)3-5(4,2)7/h6-7H,3H2,1-2H3/t4-,5+","InChI=1S/C5H10O2/c1-4(6)5(2,3)7/h7H,1-3H3",47.3596,-23.64965,
15609,[C:1]([C@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C@@:5]1([C:6]([H:14])([H:15])[H:16])[O:7][H:17])([H:8])([H:9])[H:10],[C:1]([C:2]([O:3][H:11])=[C:4]([H:12])[H:13])([H:8])([H:9])[H:10].[C:5]([C:6]([H:14])([H:15])[H:16])[O:7][H:17],"InChI=1S/C5H10O2/c1-4(6)3-5(4,2)7/h6-7H,3H2,1-2H3/t4-,5+","InChI=1S/C3H6O.C2H4O/c1-3(2)4;1-2-3/h4H,1H2,2H3;3H,1H3",46.97118,55.68646999999999,
15610,[C:1]([C@:2]1([O:3][H:11])[C:4]([H:12])([H:13])[C@@:5]1([C:6]([H:14])([H:15])[H:16])[O:7][H:17])([H:8])([H:9])[H:10],[C:1]([C:2]([O:3][H:11])([C:4]([C:5][O:7][H:17])([H:12])[H:13])[C:6]([H:14])([H:15])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-4(6)3-5(4,2)7/h6-7H,3H2,1-2H3/t4-,5+","InChI=1S/C5H10O2/c1-5(2,7)3-4-6/h6-7H,3H2,1-2H3",82.15499,37.48028,
15611,[N:1]([c:2]1[n:3][n:4]([H:10])[c:5]([O:6][H:11])[n:7]1)([H:8])[H:9],[N-:1]([c+:2]1[n:3]([H:9])[n:4]([H:10])[c+:5]([O:6][H:11])[n-:7]1)[H:8],"InChI=1S/C2H4N4O/c3-1-4-2(7)6-5-1/h(H4,3,4,5,6,7)","InChI=1S/C2H4N4O/c3-1-4-2(7)6-5-1/h3,5-7H",57.393280000000004,22.37739,
15612,[N:1]([c:2]1[n:3][n:4]([H:10])[c:5]([O:6][H:11])[n:7]1)([H:8])[H:9],[N+:1]1([H:8])([H:9])[C:2](=[N:7][C:5](=[N:4][H:10])[O:6][H:11])[N-:3]1,"InChI=1S/C2H4N4O/c3-1-4-2(7)6-5-1/h(H4,3,4,5,6,7)","InChI=1S/C2H4N4O/c3-1(7)4-2-5-6-2/h5H2,(H2-,3,4,6,7)",63.11535,60.521080000000005,
15613,[N:1]([c:2]1[n:3][n:4]([H:10])[c:5]([O:6][H:11])[n:7]1)([H:8])[H:9],[N:1]([C@@:5]([N:4]([N-:3])[H:10])([O:6][H:11])[N+:7]#[C:2])([H:8])[H:9],"InChI=1S/C2H4N4O/c3-1-4-2(7)6-5-1/h(H4,3,4,5,6,7)","InChI=1S/C2H4N4O/c1-5-2(3,7)6-4/h6-7H,3H2/t2-/m1/s1",135.15433000000002,81.3447,
15614,[N:1]([c:2]1[n:3][n:4]([H:10])[c:5]([O:6][H:11])[n:7]1)([H:8])[H:9],[N:1]([c:2]1[n:3]([H:10])[n:4][c:5]([O:6][H:11])[n:7]1)([H:8])[H:9],"InChI=1S/C2H4N4O/c3-1-4-2(7)6-5-1/h(H4,3,4,5,6,7)","InChI=1S/C2H4N4O/c3-1-4-2(7)6-5-1/h(H4,3,4,5,6,7)",43.16702,1.70242,
15615,[N:1]([c:2]1[n:3][n:4]([H:10])[c:5]([O:6][H:11])[n:7]1)([H:8])[H:9],[N:1]([c:2]1[n:3][n:4]([H:10])[c:5](=[O:6])[n:7]1[H:11])([H:8])[H:9],"InChI=1S/C2H4N4O/c3-1-4-2(7)6-5-1/h(H4,3,4,5,6,7)","InChI=1S/C2H4N4O/c3-1-4-2(7)6-5-1/h(H4,3,4,5,6,7)",36.69357,-5.363230000000001,ketoenol
15616,[N:1]([c:2]1[n:3][n:4]([H:10])[c:5]([O:6][H:11])[n:7]1)([H:8])[H:9],[N:1]([C:2]1=[N:7][C@:5]([O:6][H:11])([H:10])[N:4]=[N:3]1)([H:8])[H:9],"InChI=1S/C2H4N4O/c3-1-4-2(7)6-5-1/h(H4,3,4,5,6,7)","InChI=1S/C2H4N4O/c3-1-4-2(7)6-5-1/h2,7H,(H2,3,4)/t2-/m1/s1",49.56716,31.10845,
15617,[N:1]([c:2]1[n:3][n:4]([H:10])[c:5]([O:6][H:11])[n:7]1)([H:8])[H:9],[H:10][H:11].[N:1]([C:2]1=[N:7][C:5](=[O:6])[N:4]=[N:3]1)([H:8])[H:9],"InChI=1S/C2H4N4O/c3-1-4-2(7)6-5-1/h(H4,3,4,5,6,7)","InChI=1S/C2H2N4O.H2/c3-1-4-2(7)6-5-1;/h(H2,3,4,7);1H",76.43306,41.94919,
15618,[N:1]([c:2]1[n:3][n:4]([H:10])[c:5]([O:6][H:11])[n:7]1)([H:8])[H:9],[N:1]([C:2]1=[N:3][N:4]([H:10])/[C:5]1=[N:7]\[O:6][H:11])([H:8])[H:9],"InChI=1S/C2H4N4O/c3-1-4-2(7)6-5-1/h(H4,3,4,5,6,7)","InChI=1S/C2H4N4O/c3-1-2(6-7)5-4-1/h7H,(H2,3,4)(H,5,6)",139.44895,82.84315,
15619,[N:1]([c:2]1[n:3][n:4]([H:10])[c:5]([O:6][H:11])[n:7]1)([H:8])[H:9],[N:1]([C:2]1=[N:3][N:7]1/[C:5](=[N:4]/[H:10])[O:6][H:11])([H:8])[H:9],"InChI=1S/C2H4N4O/c3-1-4-2(7)6-5-1/h(H4,3,4,5,6,7)","InChI=1S/C2H4N4O/c3-1-5-6(1)2(4)7/h(H2,3,5)(H2,4,7)",73.17729,53.024680000000004,
15620,[N:1]([c:2]1[n:3][n:4]([H:10])[c:5]([O:6][H:11])[n:7]1)([H:8])[H:9],[N-:3][N:4]([C+:5][O:6][H:11])[H:10].[N:1]([C:2]#[N:7])([H:8])[H:9],"InChI=1S/C2H4N4O/c3-1-4-2(7)6-5-1/h(H4,3,4,5,6,7)",InChI=1S/CH2N2O.CH2N2/c2-3-1-4;2-1-3/h3-4H;2H2,120.41465,129.00826,
15622,[N:1]([c:2]1[n:3][n:4]([H:10])[c:5]([O:6][H:11])[n:7]1)([H:8])[H:9],[N:1](=[C:2]1[N-:3][N+:4]([H:8])([H:10])[C:5]([O:6][H:11])=[N:7]1)[H:9],"InChI=1S/C2H4N4O/c3-1-4-2(7)6-5-1/h(H4,3,4,5,6,7)","InChI=1S/C2H4N4O/c3-1-4-2(7)6-5-1/h6H2,(H2-,3,4,5,7)",112.86533999999999,60.13008000000001,
15623,[N:1]([c:2]1[n:3][n:4]([H:10])[c:5]([O:6][H:11])[n:7]1)([H:8])[H:9],[N:1]([C:2]1=[N:7][N:3]1[N+:4](=[C-:5][O:6][H:11])[H:10])([H:8])[H:9],"InChI=1S/C2H4N4O/c3-1-4-2(7)6-5-1/h(H4,3,4,5,6,7)","InChI=1S/C2H4N4O/c3-2-5-6(2)4-1-7/h4,7H,(H2,3,5)",118.37648,106.09676999999999,
15624,[N:1]([c:2]1[n:3][n:4]([H:10])[c:5]([O:6][H:11])[n:7]1)([H:8])[H:9],[N:1]1([H:8])[C@@:2]2([H:9])[N:3]1[N:4]([H:10])[C:5]([O:6][H:11])=[N:7]2,"InChI=1S/C2H4N4O/c3-1-4-2(7)6-5-1/h(H4,3,4,5,6,7)","InChI=1S/C2H4N4O/c7-2-3-1-4-6(1)5-2/h1,4H,(H2,3,5,7)/t1-,6?/m0/s1",86.61574,67.31600999999999,
15625,[N:1]([c:2]1[n:3][n:4]([H:10])[c:5]([O:6][H:11])[n:7]1)([H:8])[H:9],[N:1]([C:2]1=[N:7][C@@:5]2([O:6][H:11])[N:3]1[N:4]2[H:10])([H:8])[H:9],"InChI=1S/C2H4N4O/c3-1-4-2(7)6-5-1/h(H4,3,4,5,6,7)","InChI=1S/C2H4N4O/c3-1-4-2(7)5-6(1)2/h5,7H,(H2,3,4)/t2-,6?/m0/s1",74.32177,73.57597,
15626,[N:1]([c:2]1[n:3][n:4]([H:10])[c:5]([O:6][H:11])[n:7]1)([H:8])[H:9],[N:1]([C:2](/[N:3]=[N:4]/[H:10])=[N:7]/[C:5](=[O:6])[H:11])([H:8])[H:9],"InChI=1S/C2H4N4O/c3-1-4-2(7)6-5-1/h(H4,3,4,5,6,7)","InChI=1S/C2H4N4O/c3-2(6-4)5-1-7/h1,4H,(H2,3,5,7)/b6-4+",65.34770999999999,39.05247,
15627,[N:1]([c:2]1[n:3][n:4]([H:10])[c:5]([O:6][H:11])[n:7]1)([H:8])[H:9],[N:1]([C:2]12[N:3][C:5]1([N:4]([O:6][H:11])[H:10])[N:7]2)([H:8])[H:9],"InChI=1S/C2H4N4O/c3-1-4-2(7)6-5-1/h(H4,3,4,5,6,7)","InChI=1S/C2H4N4O/c3-1-2(4-1,5-1)6-7/h6-7H,3H2",132.50388999999998,75.69912,
15628,[O:1]([C:2]1([H:9])[C:3]([H:10])([H:11])[N:4]([C:6](=[O:7])[H:14])[C:5]1([H:12])[H:13])[H:8],[O:1]([O:7][C@:6]1([H:14])[C:2]2([H:9])[C:3]([H:10])([H:11])[N:4]1[C:5]2([H:12])[H:13])[H:8],"InChI=1S/C4H7NO2/c6-3-5-1-4(7)2-5/h3-4,7H,1-2H2","InChI=1S/C4H7NO2/c6-7-4-3-1-5(4)2-3/h3-4,6H,1-2H2/t4-/m1/s1",139.58343,114.67513999999998,
15629,[O:1]([C:2]1([H:9])[C:3]([H:10])([H:11])[N:4]([C:6](=[O:7])[H:14])[C:5]1([H:12])[H:13])[H:8],[C@@:2]12([H:9])[C:3]([H:10])([H:11])[N:4]1[C:5]2([H:12])[H:13].[O:1]([C:6](=[O:7])[H:14])[H:8],"InChI=1S/C4H7NO2/c6-3-5-1-4(7)2-5/h3-4,7H,1-2H2","InChI=1S/C3H5N.CH2O2/c1-3-2-4(1)3;2-1-3/h3H,1-2H2;1H,(H,2,3)/t3-,4?;",79.48246,32.410059999999994,
15630,[O:1]([C:2]1([H:9])[C:3]([H:10])([H:11])[N:4]([C:6](=[O:7])[H:14])[C:5]1([H:12])[H:13])[H:8],[C:3](=[N:4][C:6](=[O:7])[H:14])([H:10])[H:11].[O:1]([C:2](=[C:5]([H:12])[H:13])[H:9])[H:8],"InChI=1S/C4H7NO2/c6-3-5-1-4(7)2-5/h3-4,7H,1-2H2","InChI=1S/C2H3NO.C2H4O/c1-3-2-4;1-2-3/h2H,1H2;2-3H,1H2",60.81835,15.705420000000002,
15631,[O:1]([C:2]1([H:9])[C:3]([H:10])([H:11])[N:4]([C:6](=[O:7])[H:14])[C:5]1([H:12])[H:13])[H:8],[C:2]1([H:9])=[C:3]([H:10])[N:4]([C:6](=[O:7])[H:14])[C:5]1([H:12])[H:13].[O:1]([H:8])[H:11],"InChI=1S/C4H7NO2/c6-3-5-1-4(7)2-5/h3-4,7H,1-2H2","InChI=1S/C4H5NO.H2O/c6-4-5-2-1-3-5;/h1-2,4H,3H2;1H2",65.98914,17.39094,"1,3_Insertion_ROR"
15632,[O:1]([C:2]1([H:9])[C:3]([H:10])([H:11])[N:4]([C:6](=[O:7])[H:14])[C:5]1([H:12])[H:13])[H:8],[O:1]1[C:2]2([H:9])[C:3]([H:10])([H:11])[N:4]([C:5]2([H:12])[H:13])[C@@:6]1([O:7][H:8])[H:14],"InChI=1S/C4H7NO2/c6-3-5-1-4(7)2-5/h3-4,7H,1-2H2","InChI=1S/C4H7NO2/c6-4-5-1-3(2-5)7-4/h3-4,6H,1-2H2/t4-/m1/s1",46.608129999999996,28.11955,
15633,[O:1]([C:2]1([H:9])[C:3]([H:10])([H:11])[N:4]([C:6](=[O:7])[H:14])[C:5]1([H:12])[H:13])[H:8],[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[N+:4](=[C:6]([O:7][H:13])[H:14])[C-:5]1[H:12])[H:8],"InChI=1S/C4H7NO2/c6-3-5-1-4(7)2-5/h3-4,7H,1-2H2","InChI=1S/C4H7NO2/c6-3-5-1-4(7)2-5/h1,3-4,6-7H,2H2/t4-/m1/s1",51.296440000000004,45.530409999999996,
15634,[O:1]([C:2]1([H:9])[C:3]([H:10])([H:11])[N:4]([C:6](=[O:7])[H:14])[C:5]1([H:12])[H:13])[H:8],[H:8][H:14].[O:1]1[C:2]2([H:9])[C:3]([H:10])([H:11])[N:4]([C:5]2([H:12])[H:13])[C:6]1=[O:7],"InChI=1S/C4H7NO2/c6-3-5-1-4(7)2-5/h3-4,7H,1-2H2","InChI=1S/C4H5NO2.H2/c6-4-5-1-3(2-5)7-4;/h3H,1-2H2;1H",76.793,36.29779,
15635,[O:1]([C:2]1([H:9])[C:3]([H:10])([H:11])[N:4]([C:6](=[O:7])[H:14])[C:5]1([H:12])[H:13])[H:8],[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[N:4]=[C:6]([H:14])[O:7][C:5]1([H:12])[H:13])[H:8],"InChI=1S/C4H7NO2/c6-3-5-1-4(7)2-5/h3-4,7H,1-2H2","InChI=1S/C4H7NO2/c6-4-1-5-3-7-2-4/h3-4,6H,1-2H2/t4-/m0/s1",57.19165,-6.0700199999999995,ketoenol
15636,[O:1]([C:2]1([H:9])[C:3]([H:10])([H:11])[N:4]([C:6](=[O:7])[H:14])[C:5]1([H:12])[H:13])[H:8],[O:1]([C-:2]1[C:3]([H:10])([H:11])[N+:4]([C:6](=[O:7])[H:14])([H:9])[C:5]1([H:12])[H:13])[H:8],"InChI=1S/C4H7NO2/c6-3-5-1-4(7)2-5/h3-4,7H,1-2H2","InChI=1S/C4H6NO2/c6-3-5-1-4(7)2-5/h3,7H,1-2H2/q-1/p+1",81.79553,81.27184,
15637,[O:1]([C:2]1([H:9])[C:3]([H:10])([H:11])[N:4]([C:6](=[O:7])[H:14])[C:5]1([H:12])[H:13])[H:8],[C:6](=[O:7])([H:11])[H:14].[O:1]([C@@:2]1([H:9])[C:3]([H:10])=[N:4][C:5]1([H:12])[H:13])[H:8],"InChI=1S/C4H7NO2/c6-3-5-1-4(7)2-5/h3-4,7H,1-2H2","InChI=1S/C3H5NO.CH2O/c5-3-1-4-2-3;1-2/h1,3,5H,2H2;1H2/t3-;/m0./s1",80.82344,42.352759999999996,
15638,[O:1]([C:2]1([H:9])[C:3]([H:10])([H:11])[N:4]([C:6](=[O:7])[H:14])[C:5]1([H:12])[H:13])[H:8],[O:1]([C@@:2]1([H:9])[C-:3]([H:11])[N+:4]([C:6](=[O:7])[H:14])([H:10])[C:5]1([H:12])[H:13])[H:8],"InChI=1S/C4H7NO2/c6-3-5-1-4(7)2-5/h3-4,7H,1-2H2","InChI=1S/C4H7NO2/c6-3-5-1-4(7)2-5/h1,3-5,7H,2H2/t4-/m0/s1",76.0942,69.63632,
15639,[O:1]([C:2]1([H:9])[C:3]([H:10])([H:11])[N:4]([C:6](=[O:7])[H:14])[C:5]1([H:12])[H:13])[H:8],[O:1]([C@@:2]1([H:9])[C@:3]2([H:10])[N:4]([C:5]1([H:12])[H:13])[C@@:6]2([O:7][H:11])[H:14])[H:8],"InChI=1S/C4H7NO2/c6-3-5-1-4(7)2-5/h3-4,7H,1-2H2","InChI=1S/C4H7NO2/c6-2-1-5-3(2)4(5)7/h2-4,6-7H,1H2/t2-,3+,4-,5?/m1/s1",98.1502,30.74721,
15640,[O:1]([C:2]1([H:9])[C:3]([H:10])([H:11])[N:4]([C:6](=[O:7])[H:14])[C:5]1([H:12])[H:13])[H:8],[O:1]([C@:3]1([H:11])[C:2]([H:9])([H:10])[C:5]([H:12])([H:13])[N:4]1[C:6](=[O:7])[H:14])[H:8],"InChI=1S/C4H7NO2/c6-3-5-1-4(7)2-5/h3-4,7H,1-2H2","InChI=1S/C4H7NO2/c6-3-5-2-1-4(5)7/h3-4,7H,1-2H2/t4-/m1/s1",97.47952,-7.36393,
15641,[O:1]([C:2]1([H:9])[C:3]([H:10])([H:11])[N:4]([C:6](=[O:7])[H:14])[C:5]1([H:12])[H:13])[H:8],[H:10][H:12].[O:1]([C:2]1([H:9])[C-:3]([H:11])[N+:4]([C:6](=[O:7])[H:14])=[C:5]1[H:13])[H:8],"InChI=1S/C4H7NO2/c6-3-5-1-4(7)2-5/h3-4,7H,1-2H2","InChI=1S/C4H5NO2.H2/c6-3-5-1-4(7)2-5;/h1-4,7H;1H",86.88453,81.86392,
15642,[O:1]([C:2]1([H:9])[C:3]([H:10])([H:11])[N:4]([C:6](=[O:7])[H:14])[C:5]1([H:12])[H:13])[H:8],[C-:6]#[O+:7].[O:1]([C:2]1([H:9])[C:3]([H:10])([H:11])[N:4]([H:14])[C:5]1([H:12])[H:13])[H:8],"InChI=1S/C4H7NO2/c6-3-5-1-4(7)2-5/h3-4,7H,1-2H2","InChI=1S/C3H7NO.CO/c5-3-1-4-2-3;1-2/h3-5H,1-2H2;",76.55731,17.99748,"1,2_Insertion_CO"
15643,[O:1]([C:2]1([H:9])[C:3]([H:10])([H:11])[N:4]([C:6](=[O:7])[H:14])[C:5]1([H:12])[H:13])[H:8],[C:6](=[O:7])([H:9])[H:14].[O:1]([C:2]12[C:3]([H:10])([H:11])[N:4]1[C:5]2([H:12])[H:13])[H:8],"InChI=1S/C4H7NO2/c6-3-5-1-4(7)2-5/h3-4,7H,1-2H2","InChI=1S/C3H5NO.CH2O/c5-3-1-4(3)2-3;1-2/h5H,1-2H2;1H2",82.39456,57.63221,
15644,[O:1]([C:2]1([H:9])[C:3]([H:10])([H:11])[N:4]([C:6](=[O:7])[H:14])[C:5]1([H:12])[H:13])[H:8],[O:1]([C:5]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[N:4]1[C:6](=[O:7])[H:14])([H:12])[H:13])[H:8],"InChI=1S/C4H7NO2/c6-3-5-1-4(7)2-5/h3-4,7H,1-2H2","InChI=1S/C4H7NO2/c6-2-4-1-5(4)3-7/h3-4,6H,1-2H2/t4-,5?/m1/s1",73.98605,10.67034,
15645,[O:1]([C:2]1([H:9])[C:3]([H:10])([H:11])[N:4]([C:6](=[O:7])[H:14])[C:5]1([H:12])[H:13])[H:8],[H:8][H:13].[O-:1][C@@:2]1([H:9])[C:3]([H:10])([H:11])[N+:4]([C:6](=[O:7])[H:14])=[C:5]1[H:12],"InChI=1S/C4H7NO2/c6-3-5-1-4(7)2-5/h3-4,7H,1-2H2","InChI=1S/C4H5NO2.H2/c6-3-5-1-4(7)2-5;/h1,3-4H,2H2;1H/t4-;/m1./s1",62.49507,14.328710000000001,
15646,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C:5]([H:13])([H:14])[H:15])[C:6]#[N:7])([H:8])([H:9])[H:10],[C:1]([C+:2]([N:3]([C:4]([C:5]([H:13])([H:14])[H:15])=[C:6]=[N-:7])[H:12])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-4-5(2,3-6)7-4/h4,7H,1-2H3/t4-,5-/m1/s1","InChI=1S/C5H8N2/c1-3-7-5(2)4-6/h3,7H,1-2H3",32.6674,5.31905,
15647,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C:5]([H:13])([H:14])[H:15])[C:6]#[N:7])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C:4]([C:5]([H:13])([H:14])[H:15])=[C:6]=[N:7]1)([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-4-5(2,3-6)7-4/h4,7H,1-2H3/t4-,5-/m1/s1","InChI=1S/C5H8N2/c1-4-3-6-5(2)7-4/h5,7H,1-2H3/t5-/m1/s1",80.5438,39.49613,
15648,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C:5]([H:13])([H:14])[H:15])[C:6]#[N:7])([H:8])([H:9])[H:10],[C:1]([C@@:2]12[N:3]([H:12])[C@:4]1([C:5]([H:13])([H:14])[H:15])[C:6][N:7]2[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-4-5(2,3-6)7-4/h4,7H,1-2H3/t4-,5-/m1/s1","InChI=1S/C5H8N2/c1-4-3-6-5(4,2)7-4/h6-7H,1-2H3/t4-,5-/m1/s1",106.76988,77.3659,
15649,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C:5]([H:13])([H:14])[H:15])[C:6]#[N:7])([H:8])([H:9])[H:10],[C:1]([C:2][C@@:4]([N:3]([H:11])[H:12])([C:5]([H:13])([H:14])[H:15])[C:6]#[N:7])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-4-5(2,3-6)7-4/h4,7H,1-2H3/t4-,5-/m1/s1","InChI=1S/C5H8N2/c1-3-5(2,7)4-6/h7H2,1-2H3/t5-/m0/s1",73.54347,64.67429,
15650,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C:5]([H:13])([H:14])[H:15])[C:6]#[N:7])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[N+:3]([C:5]([H:13])([H:14])[H:15])([H:12])[C-:4]1[C:6]#[N:7])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-4-5(2,3-6)7-4/h4,7H,1-2H3/t4-,5-/m1/s1","InChI=1S/C5H8N2/c1-4-5(3-6)7(4)2/h4,7H,1-2H3/t4-/m1/s1",87.96355,47.41695,
15651,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C:5]([H:13])([H:14])[H:15])[C:6]#[N:7])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C:5]([H:13])([H:14])[H:15])[N+:7]#[C-:6])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-4-5(2,3-6)7-4/h4,7H,1-2H3/t4-,5-/m1/s1","InChI=1S/C5H8N2/c1-4-5(2,6-3)7-4/h4,7H,1-2H3/t4-,5+/m1/s1",55.12023000000001,24.13177,
15652,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C:5]([H:13])([H:14])[H:15])[C:6]#[N:7])([H:8])([H:9])[H:10],[C:1](/[C:2](=[N:3]/[C@@:4]([C:5]([H:13])([H:14])[H:15])([C:6]#[N:7])[H:12])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-4-5(2,3-6)7-4/h4,7H,1-2H3/t4-,5-/m1/s1","InChI=1S/C5H8N2/c1-3-7-5(2)4-6/h3,5H,1-2H3/b7-3+/t5-/m0/s1",69.90901,-11.05204,
15653,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C:5]([H:13])([H:14])[H:15])[C:6]#[N:7])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[N:3]([H:12])[N:7]=[C:6]=[C:4]1[C:5]([H:13])([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-4-5(2,3-6)7-4/h4,7H,1-2H3/t4-,5-/m1/s1","InChI=1S/C5H8N2/c1-4-3-6-7-5(4)2/h5,7H,1-2H3/t5-/m1/s1",75.07477,61.64979,
15654,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C:5]([H:13])([H:14])[H:15])[C:6]#[N:7])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@@:4]12[C:5]([H:13])([H:14])[N:7]([H:15])[C:6]2)([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-4-5(2,3-6)7-4/h4,7H,1-2H3/t4-,5-/m1/s1","InChI=1S/C5H8N2/c1-4-5(7-4)2-6-3-5/h4,6-7H,2H2,1H3/t4-,5-/m1/s1",112.57507,68.39386,
15655,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C:5]([H:13])([H:14])[H:15])[C:6]#[N:7])([H:8])([H:9])[H:10],[C:1]([C:2](/[N:3]=[C:4](\[C:5]([H:13])([H:14])[H:15])[C:6]#[N:7])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-4-5(2,3-6)7-4/h4,7H,1-2H3/t4-,5-/m1/s1","InChI=1S/C5H8N2/c1-3-7-5(2)4-6/h3H2,1-2H3/b7-5+",65.74413,-9.02524,
15656,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C:5]([H:13])([H:14])[H:15])[C:6]#[N:7])([H:8])([H:9])[H:10],[C:1]([C@@:2]([N:3]([C:6]#[N:7])[H:12])([C:4][C:5]([H:13])([H:14])[H:15])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-4-5(2,3-6)7-4/h4,7H,1-2H3/t4-,5-/m1/s1","InChI=1S/C5H8N2/c1-3-5(2)7-4-6/h5,7H,1-2H3/t5-/m1/s1",76.68606,72.69561,
15657,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C:5]([H:13])([H:14])[H:15])[C:6]#[N:7])([H:8])([H:9])[H:10],[C:1]([C:2][N:3]([C@:4]([C:5]([H:13])([H:14])[H:15])([C:6]#[N:7])[H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-4-5(2,3-6)7-4/h4,7H,1-2H3/t4-,5-/m1/s1","InChI=1S/C5H8N2/c1-3-7-5(2)4-6/h5,7H,1-2H3/t5-/m1/s1",73.1005,34.78865,
15658,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C:5]([H:13])([H:14])[H:15])[C:6]#[N:7])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@@:4]12[C:5]([H:13])([H:14])/[C:6]2=[N:7]\[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-4-5(2,3-6)7-4/h4,7H,1-2H3/t4-,5-/m1/s1","InChI=1S/C5H8N2/c1-3-5(7-3)2-4(5)6/h3,6-7H,2H2,1H3/b6-4+/t3-,5+/m1/s1",106.68937,38.36354,
15659,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C:5]([H:13])([H:14])[H:15])[C:6]#[N:7])([H:8])([H:9])[H:10],[C:1]([N+:3]1([H:12])[C-:2]([H:11])[C@@:4]1([C:5]([H:13])([H:14])[H:15])[C:6]#[N:7])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-4-5(2,3-6)7-4/h4,7H,1-2H3/t4-,5-/m1/s1","InChI=1S/C5H8N2/c1-5(3-6)4-7(5)2/h4,7H,1-2H3/t5-/m1/s1",98.80301999999999,59.231840000000005,
15660,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C:5]([H:13])([H:14])[H:15])[C:6]#[N:7])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:4]([N:3]([C:5]([H:13])([H:14])[H:15])[H:12])[C:6]#[N:7])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-4-5(2,3-6)7-4/h4,7H,1-2H3/t4-,5-/m1/s1","InChI=1S/C5H8N2/c1-3-5(4-6)7-2/h3,7H,1-2H3",68.86563000000001,-9.42127,
15661,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C:5]([H:13])([H:14])[H:15])[C:6]#[N:7])([H:8])([H:9])[H:10],[C:1]([C:4]([N:3]([C:2][H:11])[H:12])([C:5]([H:13])([H:14])[H:15])[C:6]#[N:7])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-4-5(2,3-6)7-4/h4,7H,1-2H3/t4-,5-/m1/s1","InChI=1S/C5H8N2/c1-5(2,4-6)7-3/h3,7H,1-2H3",101.72799,36.63051,
15662,[C:1]([C@@:2]([C:3]#[N:4])([C:5](=[O:6])[C:7]([H:12])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:11].[C:2]([C:3]#[N:4])(=[C:5]=[O:6])[C:7]([H:12])([H:13])[H:14],"InChI=1S/C5H7NO/c1-4(3-6)5(2)7/h4H,1-2H3/t4-/m0/s1",InChI=1S/C4H3NO.CH4/c1-4(2-5)3-6;/h1H3;1H4,71.24056999999999,17.57637,
15663,[C:1]([C@@:2]([C:3]#[N:4])([C:5](=[O:6])[C:7]([H:12])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]([C:3]#[N:4])([C:7]([C:5](=[O:6])[H:13])([H:12])[H:14])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4(3-6)5(2)7/h4H,1-2H3/t4-/m0/s1","InChI=1S/C5H7NO/c1-5(4-6)2-3-7/h3,5H,2H2,1H3/t5-/m1/s1",78.75699,7.73338,
15664,[C:1]([C@@:2]([C:3]#[N:4])([C:5](=[O:6])[C:7]([H:12])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([O:6]/[C:5](=[C:2](/[C:3]#[N:4])[H:11])[C:7]([H:12])([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4(3-6)5(2)7/h4H,1-2H3/t4-/m0/s1","InChI=1S/C5H7NO/c1-5(7-2)3-4-6/h3H,1-2H3/b5-3+",70.89735999999999,12.10513,ketoenol
15665,[C:1]([C@@:2]([C:3]#[N:4])([C:5](=[O:6])[C:7]([H:12])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]=[N:4][H:11])[C:5](=[O:6])[C:7]([H:12])([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4(3-6)5(2)7/h4H,1-2H3/t4-/m0/s1","InChI=1S/C5H7NO/c1-4(3-6)5(2)7/h6H,1-2H3",66.71605,11.96805,
15666,[C:1]([C@@:2]([C:3]#[N:4])([C:5](=[O:6])[C:7]([H:12])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:5]=[O:6])[H:11])([H:8])([H:9])[H:10].[C:3](#[N:4])[C:7]([H:12])([H:13])[H:14],"InChI=1S/C5H7NO/c1-4(3-6)5(2)7/h4H,1-2H3/t4-/m0/s1","InChI=1S/C3H4O.C2H3N/c1-2-3-4;1-2-3/h2H,1H3;1H3",84.93354000000001,21.15077,
15667,[C:1]([C@@:2]([C:3]#[N:4])([C:5](=[O:6])[C:7]([H:12])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([C:5]([C:3]#[N:4])=[O:6])([C:7]([H:12])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4(3-6)5(2)7/h4H,1-2H3/t4-/m0/s1","InChI=1S/C5H7NO/c1-4(2)5(7)3-6/h4H,1-2H3",77.65944,5.75416,
15668,[C:1]([C@@:2]([C:3]#[N:4])([C:5](=[O:6])[C:7]([H:12])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1](/[C:2]([C:3]#[N:4])=[C:5](\[O:6][H:11])[C:7]([H:12])([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4(3-6)5(2)7/h4H,1-2H3/t4-/m0/s1","InChI=1S/C5H7NO/c1-4(3-6)5(2)7/h7H,1-2H3/b5-4+",55.99661,-0.6329100000000001,ketoenol
15669,[C:1]([C@@:2]([C:3]#[N:4])([C:5](=[O:6])[C:7]([H:12])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]=[N:4][H:13])[H:11])([H:8])([H:9])[H:10].[C:5](=[O:6])=[C:7]([H:12])[H:14],"InChI=1S/C5H7NO/c1-4(3-6)5(2)7/h4H,1-2H3/t4-/m0/s1","InChI=1S/C3H5N.C2H2O/c1-2-3-4;1-2-3/h2,4H,1H3;1H2",54.69288,40.82014,Retroene
15670,[C:1]([C@@:2]([C:3]#[N:4])([C:5](=[O:6])[C:7]([H:12])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]1([H:9])([H:10])[C@@:2]([C:5](=[O:6])[C:7]([H:12])([H:13])[H:14])([H:11])[C:3][N:4]1[H:8],"InChI=1S/C5H7NO/c1-4(3-6)5(2)7/h4H,1-2H3/t4-/m0/s1","InChI=1S/C5H7NO/c1-4(7)5-2-6-3-5/h5-6H,2H2,1H3/t5-/m0/s1",116.93666999999999,66.46030999999999,
15671,[C:1]([C@@:2]([C:3]#[N:4])([C:5](=[O:6])[C:7]([H:12])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]([C:3]#[N:4])([C@@:5]1([H:13])[O:6][C:7]1([H:12])[H:14])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4(3-6)5(2)7/h4H,1-2H3/t4-/m0/s1","InChI=1S/C5H7NO/c1-4(2-6)5-3-7-5/h4-5H,3H2,1H3/t4-,5-/m0/s1",86.4051,29.089779999999998,
15672,[C:1]([C@@:2]([C:3]#[N:4])([C:5](=[O:6])[C:7]([H:12])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([c:3]1[c:2]([H:11])[c:5]([C:7]([H:12])([H:13])[H:14])[o:6][n:4]1)([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4(3-6)5(2)7/h4H,1-2H3/t4-/m0/s1","InChI=1S/C5H7NO/c1-4-3-5(2)7-6-4/h3H,1-2H3",78.19966,17.55094,
15673,[C:1]([C@@:2]([C:3]#[N:4])([C:5](=[O:6])[C:7]([H:12])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]([C:3]#[N+:4][O-:6])([C:5][C:7]([H:12])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4(3-6)5(2)7/h4H,1-2H3/t4-/m0/s1","InChI=1S/C5H7NO/c1-3-5(2)4-6-7/h5H,1-2H3/t5-/m1/s1",154.45195,135.00551000000002,
15674,[C:1]([C@@:2]([C:3]#[N:4])([C:5](=[O:6])[C:7]([H:12])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C-:5]#[O+:6].[C:1]([C:2](=[C:3]=[N:4][C:7]([H:12])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4(3-6)5(2)7/h4H,1-2H3/t4-/m0/s1","InChI=1S/C4H7N.CO/c1-3-4-5-2;1-2/h3H,1-2H3;",80.72822,29.815170000000002,
15675,[C:1]([C@@:2]([C:3]#[N:4])([C:5](=[O:6])[C:7]([H:12])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]([C:3]#[N:4])([C:5]([O:6][H:13])=[C:7]([H:12])[H:14])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4(3-6)5(2)7/h4H,1-2H3/t4-/m0/s1","InChI=1S/C5H7NO/c1-4(3-6)5(2)7/h4,7H,2H2,1H3/t4-/m0/s1",65.4033,9.63236,ketoenol
15676,[C:1]([C@@:2]([C:3]#[N:4])([C:5](=[O:6])[C:7]([H:12])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]=[N:4][C:5](=[O:6])[C:7]([H:12])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4(3-6)5(2)7/h4H,1-2H3/t4-/m0/s1","InChI=1S/C5H7NO/c1-3-4-6-5(2)7/h3H,1-2H3",51.81977,15.923789999999999,
15677,[C:1]([C@@:2]([C:3]#[N:4])([C:5](=[O:6])[C:7]([H:12])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([N:4]=[O:6])=[C:5]1[C:7]([H:12])([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4(3-6)5(2)7/h4H,1-2H3/t4-/m0/s1","InChI=1S/C5H7NO/c1-3-4(2)5(3)6-7/h3H,1-2H3/t3-/m1/s1",140.49906000000001,97.47098000000001,
15678,[C:1]([C@@:2]([C:3]#[N:4])([C:5](=[O:6])[C:7]([H:12])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]([C:3]#[N:4])([C-:5]=[O+:6][C:7]([H:12])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4(3-6)5(2)7/h4H,1-2H3/t4-/m0/s1","InChI=1S/C5H7NO/c1-5(3-6)4-7-2/h5H,1-2H3/t5-/m0/s1",110.60333,71.35438,
15679,[C:1]([C@@:2]([C:3]#[N:4])([C:5](=[O:6])[C:7]([H:12])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]([N+:4]#[C-:3])([C:5](=[O:6])[C:7]([H:12])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4(3-6)5(2)7/h4H,1-2H3/t4-/m0/s1","InChI=1S/C5H7NO/c1-4(6-3)5(2)7/h4H,1-2H3/t4-/m1/s1",56.44645,25.34208,
15680,[C:1]([C@@:2]([C:3]#[N:4])([C:5](=[O:6])[C:7]([H:12])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]=[C:5]([N:4]=[O:6])[C:7]([H:12])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4(3-6)5(2)7/h4H,1-2H3/t4-/m0/s1","InChI=1S/C5H7NO/c1-3-4-5(2)6-7/h3H,1-2H3",158.59434,74.75798,
15681,[C:1]([C@@:2]([C:3]#[N:4])([C:5](=[O:6])[C:7]([H:12])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:5](\[O:6][N+:4]#[C-:3])[C:7]([H:12])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4(3-6)5(2)7/h4H,1-2H3/t4-/m0/s1","InChI=1S/C5H7NO/c1-4-5(2)7-6-3/h4H,1-2H3/b5-4-",109.10253,88.1596,
15682,[C:1]([C@@:2]([C:3]#[N:4])([C:5](=[O:6])[C:7]([H:12])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:5](/[O:6][C:3]#[N:4])[C:7]([H:12])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4(3-6)5(2)7/h4H,1-2H3/t4-/m0/s1","InChI=1S/C5H7NO/c1-3-5(2)7-4-6/h3H,1-2H3/b5-3+",76.13369,24.84505,ketoenol
15683,[C:1]([C@@:2]([C:3]#[N:4])([C:5](=[O:6])[C:7]([H:12])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]1([H:8])([H:9])[C@:2]([C:3]#[N:4])([H:11])[C@@:5]1([O:6][H:10])[C:7]([H:12])([H:13])[H:14],"InChI=1S/C5H7NO/c1-4(3-6)5(2)7/h4H,1-2H3/t4-/m0/s1","InChI=1S/C5H7NO/c1-5(7)2-4(5)3-6/h4,7H,2H2,1H3/t4-,5+/m0/s1",80.34046,19.90765,
15684,[C:1]([C@@:2]([C:3]#[N:4])([C:5](=[O:6])[C:7]([H:12])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3](=[O:6])[N:4]=[C:5]1[C:7]([H:12])([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4(3-6)5(2)7/h4H,1-2H3/t4-/m0/s1","InChI=1S/C5H7NO/c1-3-4(2)6-5(3)7/h3H,1-2H3/t3-/m1/s1",134.34363000000002,15.46246,
15685,[C:1]([C@@:2]([C:3]#[N:4])([C:5](=[O:6])[C:7]([H:12])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1](=[C:2]([C:3]#[N:4])[H:11])([H:8])[H:9].[C:5](=[O:6])([C:7]([H:12])([H:13])[H:14])[H:10],"InChI=1S/C5H7NO/c1-4(3-6)5(2)7/h4H,1-2H3/t4-/m0/s1","InChI=1S/C3H3N.C2H4O/c1-2-3-4;1-2-3/h2H,1H2;2H,1H3",68.35585,26.24573,
15686,[C:1]([C@@:2]([C:3]#[N:4])([C:5](=[O:6])[C:7]([H:12])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]([C:3]#[N:4])([O+:6]=[C-:5][C:7]([H:12])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4(3-6)5(2)7/h4H,1-2H3/t4-/m0/s1","InChI=1S/C5H7NO/c1-3-7-5(2)4-6/h5H,1-2H3/t5-/m0/s1",107.94641000000001,68.74821999999999,
15687,[C:1]([C@@:2]([C:3]#[N:4])([C:5](=[O:6])[C:7]([H:12])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([c:2]1[c:3]([H:11])[n:4][o:6][c:5]1[C:7]([H:12])([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4(3-6)5(2)7/h4H,1-2H3/t4-/m0/s1","InChI=1S/C5H7NO/c1-4-3-6-7-5(4)2/h3H,1-2H3",70.97806,19.77795,
15688,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]2([C:5]([H:12])([H:13])[O:6]2)[C:7]1([H:14])[H:15])[H:8],[O:1]=[C:2]([C:7]([C:4](=[C:3]([H:10])[H:11])[C:5]([O:6][H:8])([H:12])[H:13])([H:14])[H:15])[H:9],"InChI=1S/C5H8O2/c6-4-1-5(2-4)3-7-5/h4,6H,1-3H2/t4-,5+","InChI=1S/C5H8O2/c1-5(4-7)2-3-6/h3,7H,1-2,4H2",31.295279999999998,-25.80593,
15689,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]2([C:5]([H:12])([H:13])[O:6]2)[C:7]1([H:14])[H:15])[H:8],[C:2]1([H:9])=[C:7]([H:15])[C@:4]2([C:3]1([H:10])[H:11])[C:5]([H:12])([H:13])[O:6]2.[O:1]([H:8])[H:14],"InChI=1S/C5H8O2/c6-4-1-5(2-4)3-7-5/h4,6H,1-3H2/t4-,5+","InChI=1S/C5H6O.H2O/c1-2-5(3-1)4-6-5;/h1-2H,3-4H2;1H2/t5-;/m0./s1",60.03731,16.565910000000002,"1,3_Insertion_ROR"
15690,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]2([C:5]([H:12])([H:13])[O:6]2)[C:7]1([H:14])[H:15])[H:8],[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@@:4]([C:5][H:13])([O:6][H:12])[C:7]1([H:14])[H:15])[H:8],"InChI=1S/C5H8O2/c6-4-1-5(2-4)3-7-5/h4,6H,1-3H2/t4-,5+","InChI=1S/C5H8O2/c1-5(7)2-4(6)3-5/h1,4,6-7H,2-3H2/t4-,5+",67.84369000000001,65.59805,
15691,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]2([C:5]([H:12])([H:13])[O:6]2)[C:7]1([H:14])[H:15])[H:8],[O:1]([C:2]1([H:9])[C:3]([H:10])([H:11])[C:4](=[O+:6][C-:5]([H:12])[H:13])[C:7]1([H:14])[H:15])[H:8],"InChI=1S/C5H8O2/c6-4-1-5(2-4)3-7-5/h4,6H,1-3H2/t4-,5+","InChI=1S/C5H8O2/c1-7-5-2-4(6)3-5/h4,6H,1-3H2",53.62989,39.27605,
15692,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]2([C:5]([H:12])([H:13])[O:6]2)[C:7]1([H:14])[H:15])[H:8],[O:1]([C:2]([C:3]([C@@:4]1([C:7][H:15])[C:5]([H:12])([H:13])[O:6]1)([H:10])[H:11])([H:9])[H:14])[H:8],"InChI=1S/C5H8O2/c6-4-1-5(2-4)3-7-5/h4,6H,1-3H2/t4-,5+","InChI=1S/C5H8O2/c1-5(2-3-6)4-7-5/h1,6H,2-4H2/t5-/m0/s1",76.54857,80.11058,
15693,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]2([C:5]([H:12])([H:13])[O:6]2)[C:7]1([H:14])[H:15])[H:8],[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]([O+:6]=[C-:5][H:13])([H:12])[C:7]1([H:14])[H:15])[H:8],"InChI=1S/C5H8O2/c6-4-1-5(2-4)3-7-5/h4,6H,1-3H2/t4-,5+","InChI=1S/C5H8O2/c1-7-5-2-4(6)3-5/h1,4-6H,2-3H2/t4-,5+",74.08910999999999,43.562329999999996,
15694,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]2([C:5]([H:12])([H:13])[O:6]2)[C:7]1([H:14])[H:15])[H:8],[O:1]([C:2][C:3]([C@@:4]1([C:7]([H:9])([H:14])[H:15])[C:5]([H:12])([H:13])[O:6]1)([H:10])[H:11])[H:8],"InChI=1S/C5H8O2/c6-4-1-5(2-4)3-7-5/h4,6H,1-3H2/t4-,5+","InChI=1S/C5H8O2/c1-5(2-3-6)4-7-5/h6H,2,4H2,1H3/t5-/m0/s1",53.505930000000006,38.41223,
15695,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]2([C:5]([H:12])([H:13])[O:6]2)[C:7]1([H:14])[H:15])[H:8],[H:8][H:14].[O:1]=[C:2]([C@@:7]1([H:15])[C:3]([H:10])([H:11])[C@:4]12[C:5]([H:12])([H:13])[O:6]2)[H:9],"InChI=1S/C5H8O2/c6-4-1-5(2-4)3-7-5/h4,6H,1-3H2/t4-,5+","InChI=1S/C5H6O2.H2/c6-2-4-1-5(4)3-7-5;/h2,4H,1,3H2;1H/t4-,5+;/m1./s1",80.98628000000001,27.37075,
15696,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]2([C:5]([H:12])([H:13])[O:6]2)[C:7]1([H:14])[H:15])[H:8],[O:1]([C:2](=[C:3]([H:10])[H:11])[C:7]([C:4]([C:5]([H:9])([H:12])[H:13])=[O:6])([H:14])[H:15])[H:8],"InChI=1S/C5H8O2/c6-4-1-5(2-4)3-7-5/h4,6H,1-3H2/t4-,5+","InChI=1S/C5H8O2/c1-4(6)3-5(2)7/h6H,1,3H2,2H3",57.887240000000006,-40.29117,
15697,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]2([C:5]([H:12])([H:13])[O:6]2)[C:7]1([H:14])[H:15])[H:8],[O:1]([C-:2]([C:3]([C@@:4]1([C:7]([H:12])([H:14])[H:15])[C:5]([H:13])=[O+:6]1)([H:10])[H:11])[H:9])[H:8],"InChI=1S/C5H8O2/c6-4-1-5(2-4)3-7-5/h4,6H,1-3H2/t4-,5+","InChI=1S/C5H8O2/c1-5(2-3-6)4-7-5/h3-4,6H,2H2,1H3/t5-/m0/s1",91.82234,60.26494,
15698,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]2([C:5]([H:12])([H:13])[O:6]2)[C:7]1([H:14])[H:15])[H:8],[C-:4]1=[O+:6][C:5]1([H:12])[H:13].[O:1]([C:2]1([H:9])[C:3]([H:10])([H:11])[C:7]1([H:14])[H:15])[H:8],"InChI=1S/C5H8O2/c6-4-1-5(2-4)3-7-5/h4,6H,1-3H2/t4-,5+","InChI=1S/C3H6O.C2H2O/c4-3-1-2-3;1-2-3-1/h3-4H,1-2H2;1H2",97.10761,65.62217,
15699,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]2([C:5]([H:12])([H:13])[O:6]2)[C:7]1([H:14])[H:15])[H:8],[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C:4][C:5]([H:12])([H:13])[O:6][C:7]1([H:14])[H:15])[H:8],"InChI=1S/C5H8O2/c6-4-1-5(2-4)3-7-5/h4,6H,1-3H2/t4-,5+","InChI=1S/C5H8O2/c6-5-2-1-3-7-4-5/h5-6H,2-4H2/t5-/m0/s1",83.41289,46.08055,
15700,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]2([C:5]([H:12])([H:13])[O:6]2)[C:7]1([H:14])[H:15])[H:8],[O:1]([C@@:2]1([H:9])[C:3]([H:10])=[C:4]([O:6][C:5]([H:11])([H:12])[H:13])[C:7]1([H:14])[H:15])[H:8],"InChI=1S/C5H8O2/c6-4-1-5(2-4)3-7-5/h4,6H,1-3H2/t4-,5+","InChI=1S/C5H8O2/c1-7-5-2-4(6)3-5/h2,4,6H,3H2,1H3/t4-/m0/s1",86.82137,-7.20337,
15701,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]2([C:5]([H:12])([H:13])[O:6]2)[C:7]1([H:14])[H:15])[H:8],[C:4]1(=[C:7]([H:14])[H:15])[C:5]([H:12])([H:13])[O:6]1.[O:1]([C:2](=[C:3]([H:10])[H:11])[H:9])[H:8],"InChI=1S/C5H8O2/c6-4-1-5(2-4)3-7-5/h4,6H,1-3H2/t4-,5+","InChI=1S/C3H4O.C2H4O/c1-3-2-4-3;1-2-3/h1-2H2;2-3H,1H2",73.69767,16.809160000000002,
15702,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]2([C:5]([H:12])([H:13])[O:6]2)[C:7]1([H:14])[H:15])[H:8],[H:12][H:13].[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]2([C-:5]=[O+:6]2)[C:7]1([H:14])[H:15])[H:8],"InChI=1S/C5H8O2/c6-4-1-5(2-4)3-7-5/h4,6H,1-3H2/t4-,5+","InChI=1S/C5H6O2.H2/c6-4-1-5(2-4)3-7-5;/h4,6H,1-2H2;1H/t4-,5+;",80.42658,62.37485,
15703,[N:1](=[c:2]1/[c:3]([H:9])[n:4][c:5]([H:10])[c:6]([H:11])[o:7]1)\[H:8],[N:1](=[C:2]1/[C:3]([H:9])=[N:4][C:5]([H:10])([H:11])[C-:6]=[O+:7]1)\[H:8],"InChI=1S/C4H4N2O/c5-4-3-6-1-2-7-4/h1-3,5H/b5-4-","InChI=1S/C4H4N2O/c5-4-3-6-1-2-7-4/h3,5H,1H2/b5-4-",70.10566999999999,59.09933,Singlet_Carbene_Intra_Disproportionation
15704,[N:1](=[c:2]1/[c:3]([H:9])[n:4][c:5]([H:10])[c:6]([H:11])[o:7]1)\[H:8],[N:1]1([H:8])[C+:2]=[C:3]([H:9])[N-:4][C@@:5]1([C:6](=[O:7])[H:11])[H:10],"InChI=1S/C4H4N2O/c5-4-3-6-1-2-7-4/h1-3,5H/b5-4-","InChI=1S/C4H4N2O/c7-3-4-5-1-2-6-4/h1,3-4,6H/t4-/m0/s1",45.8912,44.55676,
15705,[N:1](=[c:2]1/[c:3]([H:9])[n:4][c:5]([H:10])[c:6]([H:11])[o:7]1)\[H:8],[N:1](=[C:2](\[O:7]/[C:6](=[C:5](\[N+:4]#[C-:3])[H:10])[H:11])[H:9])\[H:8],"InChI=1S/C4H4N2O/c5-4-3-6-1-2-7-4/h1-3,5H/b5-4-","InChI=1S/C4H4N2O/c1-6-2-3-7-4-5/h2-5H/b3-2-,5-4-",84.67813000000001,35.227779999999996,
15706,[N:1](=[c:2]1/[c:3]([H:9])[n:4][c:5]([H:10])[c:6]([H:11])[o:7]1)\[H:8],[N:1](=[C:2](\[c:3]1[n:4][c:5]([H:10])[c:6]([H:11])[o:7]1)[H:9])\[H:8],"InChI=1S/C4H4N2O/c5-4-3-6-1-2-7-4/h1-3,5H/b5-4-","InChI=1S/C4H4N2O/c5-3-4-6-1-2-7-4/h1-3,5H/b5-3-",63.55344,-5.19612,
15707,[N:1](=[c:2]1/[c:3]([H:9])[n:4][c:5]([H:10])[c:6]([H:11])[o:7]1)\[H:8],[C:3](#[N+:4][C:5](=[C:6]([O-:7])[H:11])[H:10])[H:9].[N:1](=[C:2])[H:8],"InChI=1S/C4H4N2O/c5-4-3-6-1-2-7-4/h1-3,5H/b5-4-",InChI=1S/C3H3NO.CHN/c1-4-2-3-5;1-2/h1-3H;2H,57.54529,68.30805,
15708,[N:1](=[c:2]1/[c:3]([H:9])[n:4][c:5]([H:10])[c:6]([H:11])[o:7]1)\[H:8],[N:1](=[C:2]1/[C:3]([H:9])=[N+:4]=[C-:5][C:6]([H:10])([H:11])[O:7]1)\[H:8],"InChI=1S/C4H4N2O/c5-4-3-6-1-2-7-4/h1-3,5H/b5-4-","InChI=1S/C4H4N2O/c5-4-3-6-1-2-7-4/h3,5H,2H2/b5-4-",78.93916999999999,60.317240000000005,Singlet_Carbene_Intra_Disproportionation
15709,[N:1](=[c:2]1/[c:3]([H:9])[n:4][c:5]([H:10])[c:6]([H:11])[o:7]1)\[H:8],[N-:1]([C:2]1=[C:3]([H:9])[N:4]([H:10])[C+:5]=[C:6]([H:11])[O:7]1)[H:8],"InChI=1S/C4H4N2O/c5-4-3-6-1-2-7-4/h1-3,5H/b5-4-","InChI=1S/C4H4N2O/c5-4-3-6-1-2-7-4/h2-3,5-6H",86.60695,51.252390000000005,
15710,[N:1](=[c:2]1/[c:3]([H:9])[n:4][c:5]([H:10])[c:6]([H:11])[o:7]1)\[H:8],[n:1]1([H:8])[c:2](=[O:7])[c:6]([H:11])[c:5]([H:10])[n:4][c:3]1[H:9],"InChI=1S/C4H4N2O/c5-4-3-6-1-2-7-4/h1-3,5H/b5-4-","InChI=1S/C4H4N2O/c7-4-1-2-5-3-6-4/h1-3H,(H,5,6,7)",83.71146999999999,-32.31803,
15711,[N:1](=[c:2]1/[c:3]([H:9])[n:4][c:5]([H:10])[c:6]([H:11])[o:7]1)\[H:8],[N:1](=[C:2]1/[C:3]([H:9])=[N:4][C:5](=[C:6]([H:10])[H:11])[O:7]1)\[H:8],"InChI=1S/C4H4N2O/c5-4-3-6-1-2-7-4/h1-3,5H/b5-4-","InChI=1S/C4H4N2O/c1-3-6-2-4(5)7-3/h2,5H,1H2/b5-4-",97.72563000000001,-4.21375,
15712,[N:1](=[c:2]1/[c:3]([H:9])[n:4][c:5]([H:10])[c:6]([H:11])[o:7]1)\[H:8],[N:1](=[C:2]=[C:3]([N:4]=[C:5]([C:6](=[O:7])[H:11])[H:10])[H:9])[H:8],"InChI=1S/C4H4N2O/c5-4-3-6-1-2-7-4/h1-3,5H/b5-4-",InChI=1S/C4H4N2O/c5-1-2-6-3-4-7/h2-5H,31.01255,27.056390000000004,
15713,[N:1](=[c:2]1/[c:3]([H:9])[n:4][c:5]([H:10])[c:6]([H:11])[o:7]1)\[H:8],[N:1]#[C:2]/[C:3](=[N:4]\[C:5]([C:6](=[O:7])[H:11])([H:8])[H:10])[H:9],"InChI=1S/C4H4N2O/c5-4-3-6-1-2-7-4/h1-3,5H/b5-4-","InChI=1S/C4H4N2O/c5-1-2-6-3-4-7/h2,4H,3H2/b6-2-",43.49811,11.83924,
15714,[N:1](=[c:2]1/[c:3]([H:9])[n:4][c:5]([H:10])[c:6]([H:11])[o:7]1)\[H:8],[C:3](#[N:4])[H:9].[C:5](#[C:6][H:11])[H:10].[N:1](=[C:2]=[O:7])[H:8],"InChI=1S/C4H4N2O/c5-4-3-6-1-2-7-4/h1-3,5H/b5-4-",InChI=1S/C2H2.CHNO.CHN/c1-2;2-1-3;1-2/h1-2H;2H;1H,90.36567,41.72439,
15715,[N:1](=[c:2]1/[c:3]([H:9])[n:4][c:5]([H:10])[c:6]([H:11])[o:7]1)\[H:8],[N:1](=[C:2]1/[C:3]([H:9])=[N:4][C:5]([H:10])([H:11])[C:6]1=[O:7])\[H:8],"InChI=1S/C4H4N2O/c5-4-3-6-1-2-7-4/h1-3,5H/b5-4-","InChI=1S/C4H4N2O/c5-3-1-6-2-4(3)7/h1,5H,2H2/b5-3-",66.08811999999999,0.69206,
15716,[N:1](=[c:2]1/[c:3]([H:9])[n:4][c:5]([H:10])[c:6]([H:11])[o:7]1)\[H:8],[N:1]([C:2]1=[C:3]=[N:4][C:5]([H:10])=[C:6]([H:11])[O:7]1)([H:8])[H:9],"InChI=1S/C4H4N2O/c5-4-3-6-1-2-7-4/h1-3,5H/b5-4-","InChI=1S/C4H4N2O/c5-4-3-6-1-2-7-4/h1-2H,5H2",64.97343000000001,48.46402,
15717,[N:1](=[c:2]1/[c:3]([H:9])[n:4][c:5]([H:10])[c:6]([H:11])[o:7]1)\[H:8],[N:1]([C:2]1=[C:3]([H:9])[N-:4][C:5]([H:10])=[C:6]=[O+:7]1)([H:8])[H:11],"InChI=1S/C4H4N2O/c5-4-3-6-1-2-7-4/h1-3,5H/b5-4-","InChI=1S/C4H4N2O/c5-4-3-6-1-2-7-4/h1,3H,5H2",114.11532,40.86585,
15718,[N:1](=[c:2]1/[c:3]([H:9])[n:4][c:5]([H:10])[c:6]([H:11])[o:7]1)\[H:8],[N-:1]([C:2]1=[C+:3][N:4]([H:9])[C:5]([H:10])=[C:6]([H:11])[O:7]1)[H:8],"InChI=1S/C4H4N2O/c5-4-3-6-1-2-7-4/h1-3,5H/b5-4-","InChI=1S/C4H4N2O/c5-4-3-6-1-2-7-4/h1-2,5-6H",83.86166999999999,44.04835,
15719,[N:1](=[c:2]1/[c:3]([H:9])[n:4][c:5]([H:10])[c:6]([H:11])[o:7]1)\[H:8],[N:1](=[C:2]1/[C@@:3]2([H:9])[N:4]3[C@@:5]2([H:10])[C@:6]3([H:11])[O:7]1)\[H:8],"InChI=1S/C4H4N2O/c5-4-3-6-1-2-7-4/h1-3,5H/b5-4-","InChI=1S/C4H4N2O/c5-3-1-2-4(7-3)6(1)2/h1-2,4-5H/b5-3-/t1-,2+,4-,6?/m0/s1",73.52968,39.03241,
15720,[N:1](=[c:2]1/[c:3]([H:9])[n:4][c:5]([H:10])[c:6]([H:11])[o:7]1)\[H:8],[n:1]1([H:8])[c:2](=[O:7])[c:3]([H:9])[n:4][c:5]([H:10])[c:6]1[H:11],"InChI=1S/C4H4N2O/c5-4-3-6-1-2-7-4/h1-3,5H/b5-4-","InChI=1S/C4H4N2O/c7-4-3-5-1-2-6-4/h1-3H,(H,6,7)",90.31846,-23.83505,ketoenol
15721,[N:1](=[c:2]1/[c:3]([H:9])[n:4][c:5]([H:10])[c:6]([H:11])[o:7]1)\[H:8],[N:1](=[c:2]1[c:3]([H:9])[n+:4]1[C:5](=[C:6]([O-:7])[H:11])[H:10])[H:8],"InChI=1S/C4H4N2O/c5-4-3-6-1-2-7-4/h1-3,5H/b5-4-","InChI=1S/C4H4N2O/c5-4-3-6(4)1-2-7/h1-3H,(H-,5,7)",47.86043,50.758829999999996,
15722,[N:1](=[c:2]1/[c:3]([H:9])[n:4][c:5]([H:10])[c:6]([H:11])[o:7]1)\[H:8],[N:1](=[C:2]1[C:3](=[N:4]\[H:9])/[C:5]([H:10])=[C:6]([H:11])[O:7]/1)\[H:8],"InChI=1S/C4H4N2O/c5-4-3-6-1-2-7-4/h1-3,5H/b5-4-","InChI=1S/C4H4N2O/c5-3-1-2-7-4(3)6/h1-2,5-6H/b5-3-,6-4-",132.8118,-3.17314,
15723,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C@@:5]1([H:14])[C:6]([H:15])([H:16])[N:7]1[H:17])[H:13])([H:8])([H:9])[H:10],[C:1](/[C:2](=[N:3]/[C:4]([C@@:5]1([H:14])[C:6]([H:15])([H:16])[N:7]1[H:17])([H:12])[H:13])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H10N2/c1-3-5(7-3)4-2-6-4/h3-7H,2H2,1H3/t3-,4-,5-/m1/s1","InChI=1S/C5H10N2/c1-2-6-3-5-4-7-5/h2,5,7H,3-4H2,1H3/b6-2+/t5-/m0/s1",60.51067,-13.242389999999999,
15724,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C@@:5]1([H:14])[C:6]([H:15])([H:16])[N:7]1[H:17])[H:13])([H:8])([H:9])[H:10],[C:1]([C-:2]([N:3]([C+:4]([C@@:5]1([H:14])[C:6]([H:15])([H:16])[N:7]1[H:17])[H:13])[H:12])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H10N2/c1-3-5(7-3)4-2-6-4/h3-7H,2H2,1H3/t3-,4-,5-/m1/s1","InChI=1S/C5H10N2/c1-2-6-3-5-4-7-5/h2-3,5-7H,4H2,1H3/t5-/m0/s1",36.64567,17.69117,
15725,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C@@:5]1([H:14])[C:6]([H:15])([H:16])[N:7]1[H:17])[H:13])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C:5]([N:7]([C:6][H:15])[H:17])([H:14])[H:16])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H10N2/c1-3-5(7-3)4-2-6-4/h3-7H,2H2,1H3/t3-,4-,5-/m1/s1","InChI=1S/C5H10N2/c1-4-5(7-4)3-6-2/h2,4-7H,3H2,1H3/t4-,5+/m1/s1",71.72418,33.922959999999996,
15726,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C@@:5]1([H:14])[C:6]([H:15])([H:16])[N:7]1[H:17])[H:13])([H:8])([H:9])[H:10],[C:1](=[C:2](/[N:3]=[C:4](\[C@@:5]1([H:14])[C:6]([H:15])([H:16])[N:7]1[H:17])[H:13])[H:11])([H:9])[H:10].[H:8][H:12],"InChI=1S/C5H10N2/c1-3-5(7-3)4-2-6-4/h3-7H,2H2,1H3/t3-,4-,5-/m1/s1","InChI=1S/C5H8N2.H2/c1-2-6-3-5-4-7-5;/h2-3,5,7H,1,4H2;1H/b6-3-;/t5-;/m0./s1",87.13201,13.72925,
15727,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C@@:5]1([H:14])[C:6]([H:15])([H:16])[N:7]1[H:17])[H:13])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C:5][N:7]([C:6]([H:14])([H:15])[H:16])[H:17])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H10N2/c1-3-5(7-3)4-2-6-4/h3-7H,2H2,1H3/t3-,4-,5-/m1/s1","InChI=1S/C5H10N2/c1-4-5(7-4)3-6-2/h4-7H,1-2H3/t4-,5+/m1/s1",67.39059,19.32248,
15728,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C@@:5]1([H:14])[C:6]([H:15])([H:16])[N:7]1[H:17])[H:13])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1(/[C:5](=[N:7]/[C:6]([H:15])([H:16])[H:17])[H:14])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H10N2/c1-3-5(7-3)4-2-6-4/h3-7H,2H2,1H3/t3-,4-,5-/m1/s1","InChI=1S/C5H10N2/c1-4-5(7-4)3-6-2/h3-5,7H,1-2H3/b6-3+/t4-,5+/m1/s1",56.776469999999996,-18.55738,
15729,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C@@:5]1([H:14])[C:6]([H:15])([H:16])[N:7]1[H:17])[H:13])([H:8])([H:9])[H:10],[C:1]([C:2]([N:3]([C:4][C@@:5]1([H:14])[C:6]([H:15])([H:16])[N:7]1[H:17])[H:12])([H:11])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H10N2/c1-3-5(7-3)4-2-6-4/h3-7H,2H2,1H3/t3-,4-,5-/m1/s1","InChI=1S/C5H10N2/c1-2-6-3-5-4-7-5/h5-7H,2,4H2,1H3/t5-/m0/s1",68.94819,24.88845,
15730,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C@@:5]1([H:14])[C:6]([H:15])([H:16])[N:7]1[H:17])[H:13])([H:8])([H:9])[H:10],[C:1]([C:2][C@@:4]([N:3]([H:11])[H:12])([C@@:5]1([H:14])[C:6]([H:15])([H:16])[N:7]1[H:17])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H10N2/c1-3-5(7-3)4-2-6-4/h3-7H,2H2,1H3/t3-,4-,5-/m1/s1","InChI=1S/C5H10N2/c1-2-4(6)5-3-7-5/h4-5,7H,3,6H2,1H3/t4-,5-/m1/s1",63.13681,60.92108,
15731,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C@@:5]1([H:14])[C:6]([H:15])([H:16])[N:7]1[H:17])[H:13])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C:5]([N:7]=[C:6]([H:15])[H:16])([H:14])[H:17])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H10N2/c1-3-5(7-3)4-2-6-4/h3-7H,2H2,1H3/t3-,4-,5-/m1/s1","InChI=1S/C5H10N2/c1-4-5(7-4)3-6-2/h4-5,7H,2-3H2,1H3/t4-,5+/m1/s1",60.800059999999995,-9.26372,
15732,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C@@:5]1([H:14])[C:6]([H:15])([H:16])[N:7]1[H:17])[H:13])([H:8])([H:9])[H:10],[C:1]1([H:9])([H:10])[C@:2]([N:3]([H:8])[H:12])([H:11])[C@:4]1([C@@:5]1([H:14])[C:6]([H:15])([H:16])[N:7]1[H:17])[H:13],"InChI=1S/C5H10N2/c1-3-5(7-3)4-2-6-4/h3-7H,2H2,1H3/t3-,4-,5-/m1/s1","InChI=1S/C5H10N2/c6-4-1-3(4)5-2-7-5/h3-5,7H,1-2,6H2/t3-,4+,5+/m0/s1",86.13125,1.97803,
15733,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C@@:5]1([H:14])[C:6]([H:15])([H:16])[N:7]1[H:17])[H:13])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[N:3]([H:12])/[C:4]1=[C:5](/[C:6]([N:7]([H:13])[H:17])([H:15])[H:16])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H10N2/c1-3-5(7-3)4-2-6-4/h3-7H,2H2,1H3/t3-,4-,5-/m1/s1","InChI=1S/C5H10N2/c1-4-5(7-4)2-3-6/h2,4,7H,3,6H2,1H3/b5-2+/t4-/m1/s1",66.89944,-7.12827,
15734,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C@@:5]1([H:14])[C:6]([H:15])([H:16])[N:7]1[H:17])[H:13])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C@@:5]1([H:14])[C-:6]([H:16])[N+:7]1([H:15])[H:17])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H10N2/c1-3-5(7-3)4-2-6-4/h3-7H,2H2,1H3/t3-,4-,5-/m1/s1","InChI=1S/C5H10N2/c1-3-5(7-3)4-2-6-4/h2-5,7H,6H2,1H3/t3-,4-,5-/m1/s1",64.82196,53.219319999999996,
15735,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C@@:5]1([H:14])[C:6]([H:15])([H:16])[N:7]1[H:17])[H:13])([H:8])([H:9])[H:10],[C:1]([C:2](/[N:3]=[C:4](/[C@@:5]1([H:14])[C:6]([H:15])([H:16])[N:7]1[H:17])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H10N2/c1-3-5(7-3)4-2-6-4/h3-7H,2H2,1H3/t3-,4-,5-/m1/s1","InChI=1S/C5H10N2/c1-2-6-3-5-4-7-5/h3,5,7H,2,4H2,1H3/b6-3+/t5-/m0/s1",58.5571,-16.794320000000003,
15736,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C@@:5]1([H:14])[C:6]([H:15])([H:16])[N:7]1[H:17])[H:13])([H:8])([H:9])[H:10],[C:1]([C@@:2]([N:3]([C:4][H:13])[H:12])([C@@:5]1([H:14])[C:6]([H:15])([H:16])[N:7]1[H:17])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H10N2/c1-3-5(7-3)4-2-6-4/h3-7H,2H2,1H3/t3-,4-,5-/m1/s1","InChI=1S/C5H10N2/c1-4(6-2)5-3-7-5/h2,4-7H,3H2,1H3/t4-,5-/m1/s1",90.50921,32.30446,
15737,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C@@:5]1([H:14])[C:6]([H:15])([H:16])[N:7]1[H:17])[H:13])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C+:5]([N:7]([C-:6]([H:15])[H:16])[H:17])[H:14])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H10N2/c1-3-5(7-3)4-2-6-4/h3-7H,2H2,1H3/t3-,4-,5-/m1/s1","InChI=1S/C5H10N2/c1-4-5(7-4)3-6-2/h3-7H,2H2,1H3/t4-,5+/m1/s1",36.70282,18.93981,
15738,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C@@:5]1([H:14])[C:6]([H:15])([H:16])[N:7]1[H:17])[H:13])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[N:3]([H:12])/[C:4]1=[C:5]1/[C:6]([H:15])([H:16])[N:7]1[H:17])([H:8])([H:9])[H:10].[H:13][H:14],"InChI=1S/C5H10N2/c1-3-5(7-3)4-2-6-4/h3-7H,2H2,1H3/t3-,4-,5-/m1/s1","InChI=1S/C5H8N2.H2/c1-3-5(7-3)4-2-6-4;/h3,6-7H,2H2,1H3;1H/b5-4-;/t3-;/m1./s1",95.10186999999999,40.95061,
15739,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C@@:5]1([H:14])[C:6]([H:15])([H:16])[N:7]1[H:17])[H:13])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C:5]1=[C:6]([H:16])[N:7]1[H:17])[H:13])([H:8])([H:9])[H:10].[H:14][H:15],"InChI=1S/C5H10N2/c1-3-5(7-3)4-2-6-4/h3-7H,2H2,1H3/t3-,4-,5-/m1/s1","InChI=1S/C5H8N2.H2/c1-3-5(7-3)4-2-6-4;/h2-3,5-7H,1H3;1H/t3-,5-;/m1./s1",106.67268999999999,61.07581999999999,
15740,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C@@:5]1([H:14])[C:6]([H:15])([H:16])[N:7]1[H:17])[H:13])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C:4]([H:13])=[C:5]1[H:14])([H:8])([H:9])[H:10].[C:6](=[N:7][H:17])([H:15])[H:16],"InChI=1S/C5H10N2/c1-3-5(7-3)4-2-6-4/h3-7H,2H2,1H3/t3-,4-,5-/m1/s1","InChI=1S/C4H7N.CH3N/c1-4-2-3-5-4;1-2/h2-5H,1H3;2H,1H2/t4-;/m1./s1",69.79749,8.99676,
15741,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C@@:5]1([H:14])[C:6]([H:15])([H:16])[N:7]1[H:17])[H:13])([H:8])([H:9])[H:10],[C:1](/[C:2](=[N:3]\[H:12])[H:11])([H:8])([H:9])[H:10].[C:4](=[C:5]1[C:6]([H:15])([H:16])[N:7]1[H:17])([H:13])[H:14],"InChI=1S/C5H10N2/c1-3-5(7-3)4-2-6-4/h3-7H,2H2,1H3/t3-,4-,5-/m1/s1","InChI=1S/C3H5N.C2H5N/c1-3-2-4-3;1-2-3/h4H,1-2H2;2-3H,1H3/b;3-2-",78.05960999999999,8.407969999999999,
15742,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C@@:5]1([H:14])[C:6]([H:15])([H:16])[N:7]1[H:17])[H:13])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:11].[C:2]1[N:3]([H:12])[C@:4]1([C@@:5]1([H:14])[C:6]([H:15])([H:16])[N:7]1[H:17])[H:13],"InChI=1S/C5H10N2/c1-3-5(7-3)4-2-6-4/h3-7H,2H2,1H3/t3-,4-,5-/m1/s1","InChI=1S/C4H6N2.CH4/c1-3(5-1)4-2-6-4;/h3-6H,1H2;1H4/t3-,4-;/m1./s1",82.29287,57.53321,
15743,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C@@:5]1([H:14])[C:6]([H:15])([H:16])[N:7]1[H:17])[H:13])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C:4]1=[C:5]([H:13])[H:14])([H:8])([H:9])[H:10].[C:6](=[N:7][H:17])([H:15])[H:16],"InChI=1S/C5H10N2/c1-3-5(7-3)4-2-6-4/h3-7H,2H2,1H3/t3-,4-,5-/m1/s1","InChI=1S/C4H7N.CH3N/c1-3-4(2)5-3;1-2/h4-5H,1H2,2H3;2H,1H2/t4-;/m1./s1",75.09699,10.69641,
15744,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C@@:5]1([H:14])[C:6]([H:15])([H:16])[N:7]1[H:17])[H:13])([H:8])([H:9])[H:10],[C:1]([C:2][N:3]([C:4]([C@@:5]1([H:14])[C:6]([H:15])([H:16])[N:7]1[H:17])([H:11])[H:13])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H10N2/c1-3-5(7-3)4-2-6-4/h3-7H,2H2,1H3/t3-,4-,5-/m1/s1","InChI=1S/C5H10N2/c1-2-6-3-5-4-7-5/h5-7H,3-4H2,1H3/t5-/m0/s1",73.27266,23.30208,
15745,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C@@:5]1([H:14])[C:6]([H:15])([H:16])[N:7]1[H:17])[H:13])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C-:5]1[C:6]([H:15])([H:16])[N+:7]1([H:14])[H:17])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H10N2/c1-3-5(7-3)4-2-6-4/h3-7H,2H2,1H3/t3-,4-,5-/m1/s1","InChI=1S/C5H10N2/c1-3-5(7-3)4-2-6-4/h3,5,7H,2,6H2,1H3/t3-,5-/m1/s1",61.96943,52.90128000000001,
15746,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C@@:5]1([H:14])[C:6]([H:15])([H:16])[N:7]1[H:17])[H:13])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C:5](=[C:6]([H:15])[H:16])[H:14])[H:13])([N:7]([H:9])[H:17])([H:8])[H:10],"InChI=1S/C5H10N2/c1-3-5(7-3)4-2-6-4/h3-7H,2H2,1H3/t3-,4-,5-/m1/s1","InChI=1S/C5H10N2/c1-2-4-5(3-6)7-4/h2,4-5,7H,1,3,6H2/t4-,5+/m0/s1",71.89823,-5.56687,
15747,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C@@:5]1([H:14])[C:6]([H:15])([H:16])[N:7]1[H:17])[H:13])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C:5][C:6]([N:7]([H:14])[H:17])([H:15])[H:16])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H10N2/c1-3-5(7-3)4-2-6-4/h3-7H,2H2,1H3/t3-,4-,5-/m1/s1","InChI=1S/C5H10N2/c1-4-5(7-4)2-3-6/h4-5,7H,3,6H2,1H3/t4-,5+/m1/s1",56.081590000000006,49.51495,
15748,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C@@:5]1([H:14])[C:6]([H:15])([H:16])[N:7]1[H:17])[H:13])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[N:3]=[C:4]1[H:13])([H:8])([H:9])[H:10].[C:5]1([H:14])=[N:7][C:6]1([H:15])[H:16].[H:12][H:17],"InChI=1S/C5H10N2/c1-3-5(7-3)4-2-6-4/h3-7H,2H2,1H3/t3-,4-,5-/m1/s1","InChI=1S/C3H5N.C2H3N.H2/c1-3-2-4-3;1-2-3-1;/h2-3H,1H3;1H,2H2;1H/t3-;;/m1../s1",76.52386,64.77376,
15749,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C@@:5]1([H:14])[C:6]([H:15])([H:16])[N:7]1[H:17])[H:13])([H:8])([H:9])[H:10],[C:1](=[C:2]1[N:3]([H:12])[C@:4]1([C@@:5]1([H:14])[C:6]([H:15])([H:16])[N:7]1[H:17])[H:13])([H:9])[H:10].[H:8][H:11],"InChI=1S/C5H10N2/c1-3-5(7-3)4-2-6-4/h3-7H,2H2,1H3/t3-,4-,5-/m1/s1","InChI=1S/C5H8N2.H2/c1-3-5(7-3)4-2-6-4;/h4-7H,1-2H2;1H/t4-,5-;/m1./s1",110.44183999999998,35.18053,
15750,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C@:4]1([C@@:5]1([H:14])[C:6]([H:15])([H:16])[N:7]1[H:17])[H:13])([H:8])([H:9])[H:10],[C:1]([C@@:2]([N:3]([H:12])[H:14])(/[C:4](=[C:5]1\[C:6]([H:15])([H:16])[N:7]1[H:17])[H:13])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H10N2/c1-3-5(7-3)4-2-6-4/h3-7H,2H2,1H3/t3-,4-,5-/m1/s1","InChI=1S/C5H10N2/c1-4(6)2-5-3-7-5/h2,4,7H,3,6H2,1H3/b5-2+/t4-/m1/s1",67.07894,-5.5732800000000005,
15751,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:4]([C:5]([H:15])([H:16])[H:17])([H:14])[C@:6]1([C:7]([H:19])([H:20])[H:21])[H:18])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]([H:12])[H:13])[H:11])([H:8])([H:9])[H:10].[C:4](\[C:5]([H:15])([H:16])[H:17])(=[C:6](\[C:7]([H:19])([H:20])[H:21])[H:18])[H:14],"InChI=1S/C7H14/c1-5-4-6(2)7(5)3/h5-7H,4H2,1-3H3/t5-,6+,7-","InChI=1S/C4H8.C3H6/c1-3-4-2;1-3-2/h3-4H,1-2H3;3H,1H2,2H3/b4-3-;",83.7138,15.26879,
15752,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:4]([C:5]([H:15])([H:16])[H:17])([H:14])[C@:6]1([C:7]([H:19])([H:20])[H:21])[H:18])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:11].[C:2]1[C:3]([H:12])([H:13])[C@:4]([C:5]([H:15])([H:16])[H:17])([H:14])[C@:6]1([C:7]([H:19])([H:20])[H:21])[H:18],"InChI=1S/C7H14/c1-5-4-6(2)7(5)3/h5-7H,4H2,1-3H3/t5-,6+,7-","InChI=1S/C6H10.CH4/c1-5-3-4-6(5)2;/h5-6H,3H2,1-2H3;1H4/t5-,6+;/m1./s1",86.3174,93.11655999999999,
15753,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:4]([C:5]([H:15])([H:16])[H:17])([H:14])[C@:6]1([C:7]([H:19])([H:20])[H:21])[H:18])([H:8])([H:9])[H:10],[C:1]([C@@:2]([C:3][H:12])([C@@:6]([C:4]([C:5]([H:15])([H:16])[H:17])([H:13])[H:14])([C:7]([H:19])([H:20])[H:21])[H:18])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C7H14/c1-5-4-6(2)7(5)3/h5-7H,4H2,1-3H3/t5-,6+,7-","InChI=1S/C7H14/c1-5-7(4)6(2)3/h2,6-7H,5H2,1,3-4H3/t6-,7-/m1/s1",78.66371,80.12120999999999,
15754,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:4]([C:5]([H:15])([H:16])[H:17])([H:14])[C@:6]1([C:7]([H:19])([H:20])[H:21])[H:18])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:4]([C:5]([H:15])([H:16])[H:17])([H:14])[C:6]1)([H:8])([H:9])[H:10].[C:7]([H:18])([H:19])([H:20])[H:21],"InChI=1S/C7H14/c1-5-4-6(2)7(5)3/h5-7H,4H2,1-3H3/t5-,6+,7-","InChI=1S/C6H10.CH4/c1-5-3-6(2)4-5;/h5-6H,3H2,1-2H3;1H4/t5-,6+;",88.70298000000001,84.50031,
15755,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:4]([C:5]([H:15])([H:16])[H:17])([H:14])[C@:6]1([C:7]([H:19])([H:20])[H:21])[H:18])([H:8])([H:9])[H:10],[C:1]([C@@:2]([C:3]([C:4][C:5]([H:15])([H:16])[H:17])([H:12])[H:13])([C:6]([C:7]([H:19])([H:20])[H:21])([H:14])[H:18])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C7H14/c1-5-4-6(2)7(5)3/h5-7H,4H2,1-3H3/t5-,6+,7-","InChI=1S/C7H14/c1-4-6-7(3)5-2/h7H,5-6H2,1-3H3/t7-/m1/s1",70.2701,69.61516,
15756,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:4]([C:5]([H:15])([H:16])[H:17])([H:14])[C@:6]1([C:7]([H:19])([H:20])[H:21])[H:18])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C:4]([C:5]([H:15])([H:16])[H:17])=[C:6]1[H:18])([H:8])([H:9])[H:10].[C:7]([H:14])([H:19])([H:20])[H:21],"InChI=1S/C7H14/c1-5-4-6(2)7(5)3/h5-7H,4H2,1-3H3/t5-,6+,7-","InChI=1S/C6H10.CH4/c1-5-3-6(2)4-5;/h3,5H,4H2,1-2H3;1H4/t5-;/m1./s1",105.02828000000001,16.7294,
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15758,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:4]([C:5]([H:15])([H:16])[H:17])([H:14])[C@:6]1([C:7]([H:19])([H:20])[H:21])[H:18])([H:8])([H:9])[H:10],[C:1](=[C:2]([C:3]([C@@:4]([C:5]([H:15])([H:16])[H:17])([C:6](=[C:7]([H:19])[H:21])[H:18])[H:14])([H:12])[H:13])[H:11])([H:9])[H:10].[H:8][H:20],"InChI=1S/C7H14/c1-5-4-6(2)7(5)3/h5-7H,4H2,1-3H3/t5-,6+,7-","InChI=1S/C7H12.H2/c1-4-6-7(3)5-2;/h4-5,7H,1-2,6H2,3H3;1H/t7-;/m0./s1",60.85606,28.37537,
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15761,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:4]([C:5]([H:15])([H:16])[H:17])([H:14])[C@:6]1([C:7]([H:19])([H:20])[H:21])[H:18])([H:8])([H:9])[H:10],[C:1](=[C:2]([C@:3]1([H:13])[C@:4]([C:5]([H:15])([H:16])[H:17])([H:14])[C@:6]1([C:7]([H:19])([H:20])[H:21])[H:18])[H:11])([H:9])[H:10].[H:8][H:12],"InChI=1S/C7H14/c1-5-4-6(2)7(5)3/h5-7H,4H2,1-3H3/t5-,6+,7-","InChI=1S/C7H12.H2/c1-4-7-5(2)6(7)3;/h4-7H,1H2,2-3H3;1H/t5-,6+,7+;",95.9913,30.312790000000003,
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15763,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:4]([C:5]([H:15])([H:16])[H:17])([H:14])[C@:6]1([C:7]([H:19])([H:20])[H:21])[H:18])([H:8])([H:9])[H:10],[C:1]([C:6]1([C:7]([H:19])([H:20])[H:21])[C:2]([H:11])([H:18])[C:3]([H:12])([H:13])[C@:4]1([C:5]([H:15])([H:16])[H:17])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C7H14/c1-5-4-6(2)7(5)3/h5-7H,4H2,1-3H3/t5-,6+,7-","InChI=1S/C7H14/c1-6-4-5-7(6,2)3/h6H,4-5H2,1-3H3/t6-/m1/s1",119.56481000000001,-1.42566,
15764,[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:13])[C@:4]([C:5]([H:15])([H:16])[H:17])([H:14])[C@:6]1([C:7]([H:19])([H:20])[H:21])[H:18])([H:8])([H:9])[H:10],[C:1]([C:7]([C@@:6]1([H:18])[C:2]([H:8])([H:11])[C:3]([H:12])([H:13])[C@:4]1([C:5]([H:15])([H:16])[H:17])[H:14])([H:20])[H:21])([H:9])([H:10])[H:19],"InChI=1S/C7H14/c1-5-4-6(2)7(5)3/h5-7H,4H2,1-3H3/t5-,6+,7-","InChI=1S/C7H14/c1-3-7-5-4-6(7)2/h6-7H,3-5H2,1-2H3/t6-,7+/m1/s1",107.56272,1.81245,
15765,[C:1]([O:2][C:3]([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C:3](/[C:4]([C:5]([H:13])([H:14])[H:15])=[C:6](\[O:7][H:17])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-7-3-4-2-5(4)6/h4-6H,2-3H2,1H3/t4-,5-/m1/s1","InChI=1S/C5H10O2/c1-5(3-6)4-7-2/h3,6H,4H2,1-2H3/b5-3-",62.39187,-16.56863,
15766,[C:1]([O:2][C:3]([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C:6]1=[O:7])([H:11])[H:12])([H:8])([H:9])[H:10].[H:16][H:17],"InChI=1S/C5H10O2/c1-7-3-4-2-5(4)6/h4-6H,2-3H2,1H3/t4-,5-/m1/s1","InChI=1S/C5H8O2.H2/c1-7-3-4-2-5(4)6;/h4H,2-3H2,1H3;1H/t4-;/m1./s1",88.68349,29.64183,
15767,[C:1]([O:2][C:3]([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]([C@@:4]([C:5]([H:14])([H:15])[H:16])([C:6][O:7][H:17])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-7-3-4-2-5(4)6/h4-6H,2-3H2,1H3/t4-,5-/m1/s1","InChI=1S/C5H10O2/c1-5(3-6)4-7-2/h5-6H,4H2,1-2H3/t5-/m0/s1",50.803490000000004,36.46174,
15768,[C:1]([O:2][C:3]([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C:6]1)([H:11])[H:12])([H:8])([H:9])[H:10].[O:7]([H:16])[H:17],"InChI=1S/C5H10O2/c1-7-3-4-2-5(4)6/h4-6H,2-3H2,1H3/t4-,5-/m1/s1","InChI=1S/C5H8O.H2O/c1-6-4-5-2-3-5;/h5H,2,4H2,1H3;1H2/t5-;/m0./s1",76.1797,89.16617,
15769,[C:1]([O:2][C:3]([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]([C:4](=[C:5]([H:14])[H:15])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10].[C:6]([O:7][H:17])[H:16],"InChI=1S/C5H10O2/c1-7-3-4-2-5(4)6/h4-6H,2-3H2,1H3/t4-,5-/m1/s1","InChI=1S/C4H8O.CH2O/c1-3-4-5-2;1-2/h3H,1,4H2,2H3;1-2H",54.06426999999999,69.86829,
15770,[C:1]([O:2][C:3]([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]([C:4](/[C:5](=[C:6](\[O:7][H:17])[H:16])[H:14])([H:13])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-7-3-4-2-5(4)6/h4-6H,2-3H2,1H3/t4-,5-/m1/s1","InChI=1S/C5H10O2/c1-7-5-3-2-4-6/h2,4,6H,3,5H2,1H3/b4-2-",65.24895,-16.46048,
15771,[C:1]([O:2][C:3]([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]([C:4]([C:5]([C:6](=[O:7])[H:16])([H:14])[H:15])([H:13])[H:17])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-7-3-4-2-5(4)6/h4-6H,2-3H2,1H3/t4-,5-/m1/s1","InChI=1S/C5H10O2/c1-7-5-3-2-4-6/h4H,2-3,5H2,1H3",54.7832,-16.4484,
15772,[C:1]([O:2][C:3]([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]([C:4][C@@:6]([C:5]([H:13])([H:14])[H:15])([O:7][H:17])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-7-3-4-2-5(4)6/h4-6H,2-3H2,1H3/t4-,5-/m1/s1","InChI=1S/C5H10O2/c1-5(6)3-4-7-2/h5-6H,4H2,1-2H3/t5-/m1/s1",62.394740000000006,60.013980000000004,
15773,[C:1]([O:2][C:3]([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]([C@@:4]([C:5]([H:14])([H:15])[H:17])([C:6](=[O:7])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-7-3-4-2-5(4)6/h4-6H,2-3H2,1H3/t4-,5-/m1/s1","InChI=1S/C5H10O2/c1-5(3-6)4-7-2/h3,5H,4H2,1-2H3/t5-/m0/s1",55.601000000000006,-16.57548,
15774,[C:1]([O:2][C:3]([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][H:17])([H:8])([H:9])[H:10].[C:3](=[C:4]([C:5]([C:6](=[O:7])[H:16])([H:14])[H:15])[H:13])([H:11])[H:12],"InChI=1S/C5H10O2/c1-7-3-4-2-5(4)6/h4-6H,2-3H2,1H3/t4-,5-/m1/s1","InChI=1S/C4H6O.CH4O/c1-2-3-4-5;1-2/h2,4H,1,3H2;2H,1H3",25.22478,-1.10037,
15775,[C:1]([O:2][C:3]([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]([C:4][C:5]([C:6]([O:7][H:17])([H:13])[H:16])([H:14])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-7-3-4-2-5(4)6/h4-6H,2-3H2,1H3/t4-,5-/m1/s1","InChI=1S/C5H10O2/c1-7-5-3-2-4-6/h6H,2,4-5H2,1H3",61.808569999999996,64.82500999999999,
15776,[C:1]([O:2][C:3]([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]([C:4]([C:5]([C:6][O:7][H:17])([H:14])[H:15])([H:13])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-7-3-4-2-5(4)6/h4-6H,2-3H2,1H3/t4-,5-/m1/s1","InChI=1S/C5H10O2/c1-7-5-3-2-4-6/h6H,2-3,5H2,1H3",53.15813000000001,36.23122,
15777,[C:1]([O:2][C:3]([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]([C:4]1=[C:6]([O:7][H:17])[C:5]1([H:14])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10].[H:13][H:16],"InChI=1S/C5H10O2/c1-7-3-4-2-5(4)6/h4-6H,2-3H2,1H3/t4-,5-/m1/s1","InChI=1S/C5H8O2.H2/c1-7-3-4-2-5(4)6;/h6H,2-3H2,1H3;1H",109.02577,48.414359999999995,
15778,[C:1]([O:2][C:3]([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]([C@@:4]([C:5]([C:6][H:16])([H:14])[H:15])([O:7][H:17])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-7-3-4-2-5(4)6/h4-6H,2-3H2,1H3/t4-,5-/m1/s1","InChI=1S/C5H10O2/c1-3-5(6)4-7-2/h1,5-6H,3-4H2,2H3/t5-/m1/s1",90.00301999999999,80.08139,
15779,[C:1]([O:2][C:3]([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2]/[C:3](=[C:4](\[C:5]([C:6](=[O:7])[H:16])([H:14])[H:15])[H:13])[H:12])([H:8])([H:9])[H:10].[H:11][H:17],"InChI=1S/C5H10O2/c1-7-3-4-2-5(4)6/h4-6H,2-3H2,1H3/t4-,5-/m1/s1","InChI=1S/C5H8O2.H2/c1-7-5-3-2-4-6;/h3-5H,2H2,1H3;1H/b5-3-;",36.62492,10.330960000000001,
15780,[C:1]([O:2][C:3]([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](=[O:2])([H:8])[H:9].[C:3](=[C:4]1[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:11])[H:12].[H:10][H:13],"InChI=1S/C5H10O2/c1-7-3-4-2-5(4)6/h4-6H,2-3H2,1H3/t4-,5-/m1/s1","InChI=1S/C4H6O.CH2O.H2/c1-3-2-4(3)5;1-2;/h4-5H,1-2H2;1H2;1H/t4-;;/m1../s1",67.94932,46.82809,
15781,[C:1]([O:2][C:3]([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:7][C@@:6]1([H:16])[C@:4]([C:3]([O:2][H:17])([H:11])[H:12])([H:13])[C:5]1([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H10O2/c1-7-3-4-2-5(4)6/h4-6H,2-3H2,1H3/t4-,5-/m1/s1","InChI=1S/C5H10O2/c1-7-5-2-4(5)3-6/h4-6H,2-3H2,1H3/t4-,5-/m1/s1",62.582390000000004,-0.4865,
15782,[C:1]([O:2][C:3]([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O+:2]=[C-:3][H:12])([H:8])([H:9])[H:10].[C:4]1([H:11])([H:13])[C:5]([H:14])([H:15])[C:6]1([O:7][H:17])[H:16],"InChI=1S/C5H10O2/c1-7-3-4-2-5(4)6/h4-6H,2-3H2,1H3/t4-,5-/m1/s1","InChI=1S/C3H6O.C2H4O/c4-3-1-2-3;1-3-2/h3-4H,1-2H2;1H,2H3",73.12759,71.36731,
15783,[C:1]([O:2][C:3]([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C:3](=[C:4]([H:11])[H:13])[H:12])([H:8])([H:9])[H:10].[C:5](=[C:6]([O:7][H:17])[H:16])([H:14])[H:15],"InChI=1S/C5H10O2/c1-7-3-4-2-5(4)6/h4-6H,2-3H2,1H3/t4-,5-/m1/s1","InChI=1S/C3H6O.C2H4O/c1-3-4-2;1-2-3/h3H,1H2,2H3;2-3H,1H2",81.20801,7.837269999999999,
15784,[C:1]([O:2][C:3]([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]([C:4]1([H:13])[C:5]([H:14])=[C:6]1[H:16])([H:11])[H:12])([H:8])([H:9])[H:10].[O:7]([H:15])[H:17],"InChI=1S/C5H10O2/c1-7-3-4-2-5(4)6/h4-6H,2-3H2,1H3/t4-,5-/m1/s1","InChI=1S/C5H8O.H2O/c1-6-4-5-2-3-5;/h2-3,5H,4H2,1H3;1H2",70.78529,38.65954,
15785,[C:1]([O:2][C:3]([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:15].[C:4]1([H:13])=[C:5]([H:14])[C:6]1([O:7][H:17])[H:16].[O:2]=[C:3]([H:11])[H:12],"InChI=1S/C5H10O2/c1-7-3-4-2-5(4)6/h4-6H,2-3H2,1H3/t4-,5-/m1/s1",InChI=1S/C3H4O.CH2O.CH4/c4-3-1-2-3;1-2;/h1-4H;1H2;1H4,73.33986999999999,43.91884,
15786,[C:1]([O:2][C:3]([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2]/[C:3](=[C:4]([C:5](=[C:6](\[O:7][H:17])[H:16])/[H:14])\[H:13])[H:12])([H:8])([H:9])[H:10].[H:11][H:15],"InChI=1S/C5H10O2/c1-7-3-4-2-5(4)6/h4-6H,2-3H2,1H3/t4-,5-/m1/s1","InChI=1S/C5H8O2.H2/c1-7-5-3-2-4-6;/h2-6H,1H3;1H/b4-2-,5-3+;",80.54473,10.46574,
15787,[C:1]([O:2][C:3]([C@@:4]1([H:13])[C:5]([H:14])([H:15])[C@:6]1([O:7][H:17])[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([O:2][H:14])([H:8])([H:9])[H:10].[C:3](=[C:4](/[C:5](=[C:6](/[O:7][H:17])[H:16])[H:15])[H:13])([H:11])[H:12],"InChI=1S/C5H10O2/c1-7-3-4-2-5(4)6/h4-6H,2-3H2,1H3/t4-,5-/m1/s1","InChI=1S/C4H6O.CH4O/c1-2-3-4-5;1-2/h2-5H,1H2;2H,1H3/b4-3+;",85.01458000000001,-3.3332300000000004,
15788,[C:1]([O:2][C:3]([C:4]([H:11])([H:12])[H:13])([C:5]([H:14])([H:15])[H:16])[C:6]#[C:7][H:17])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]([C:4]([H:11])([H:12])[H:13])=[C:6]=[C:7]([C:5]([H:14])([H:15])[H:16])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-5-6(2,3)7-4/h1H,2-4H3","InChI=1S/C6H10O/c1-4-5-6(2)7-3/h4H,1-3H3",66.81133,-12.092360000000001,
15789,[C:1]([O:2][C:3]([C:4]([H:11])([H:12])[H:13])([C:5]([H:14])([H:15])[H:16])[C:6]#[C:7][H:17])([H:8])([H:9])[H:10],[C:1]([O:2]/[C:3]([C:5]([H:14])([H:15])[H:16])=[C:6](/[C:4]([H:11])([H:12])[H:13])[C:7][H:17])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-5-6(2,3)7-4/h1H,2-4H3","InChI=1S/C6H10O/c1-5(2)6(3)7-4/h1H,2-4H3/b6-5+",60.66135,40.55175,
15790,[C:1]([O:2][C:3]([C:4]([H:11])([H:12])[H:13])([C:5]([H:14])([H:15])[H:16])[C:6]#[C:7][H:17])([H:8])([H:9])[H:10],[C:1](=[O:2])([H:8])[H:9].[C:3]([C:4]([H:11])([H:12])[H:13])([C:5]([H:14])([H:15])[H:16])=[C:6]=[C:7]([H:10])[H:17],"InChI=1S/C6H10O/c1-5-6(2,3)7-4/h1H,2-4H3","InChI=1S/C5H8.CH2O/c1-4-5(2)3;1-2/h1H2,2-3H3;1H2",28.143629999999998,-0.78194,Retroene
15791,[C:1]([O:2][C:3]([C:4]([H:11])([H:12])[H:13])([C:5]([H:14])([H:15])[H:16])[C:6]#[C:7][H:17])([H:8])([H:9])[H:10],[C:1]([O:2][C:7](=[C:6]=[C:3]([C:4]([H:11])([H:12])[H:13])[C:5]([H:14])([H:15])[H:16])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-5-6(2,3)7-4/h1H,2-4H3","InChI=1S/C6H10O/c1-6(2)4-5-7-3/h5H,1-3H3",52.94713,-6.636239999999999,
15792,[C:1]([O:2][C:3]([C:4]([H:11])([H:12])[H:13])([C:5]([H:14])([H:15])[H:16])[C:6]#[C:7][H:17])([H:8])([H:9])[H:10],[C:1]([O:2][C:6]1=[C:7]([H:17])[C:3]1([C:4]([H:11])([H:12])[H:13])[C:5]([H:14])([H:15])[H:16])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-5-6(2,3)7-4/h1H,2-4H3","InChI=1S/C6H10O/c1-6(2)4-5(6)7-3/h4H,1-3H3",61.85148,9.663680000000001,
15793,[C:1]([O:2][C:3]([C:4]([H:11])([H:12])[H:13])([C:5]([H:14])([H:15])[H:16])[C:6]#[C:7][H:17])([H:8])([H:9])[H:10],[C:1]([C@:7]1([H:17])[O:2][C:3]([C:4]([H:11])([H:12])[H:13])([C:5]([H:14])([H:15])[H:16])[C:6]1)([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-5-6(2,3)7-4/h1H,2-4H3","InChI=1S/C6H10O/c1-5-4-6(2,3)7-5/h5H,1-3H3/t5-/m0/s1",108.32813,52.5329,
15794,[C:1]([O:2][C:3]([C:4]([H:11])([H:12])[H:13])([C:5]([H:14])([H:15])[H:16])[C:6]#[C:7][H:17])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]([C:4]([H:11])([H:12])[H:13])([C:5]([H:14])([H:15])[H:16])[C:7](=[C:6])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-5-6(2,3)7-4/h1H,2-4H3","InChI=1S/C6H10O/c1-5-6(2,3)7-4/h5H,2-4H3",55.664880000000004,49.97887,Singlet_Carbene_Intra_Disproportionation
15795,[C:1]([O:2][C:3]([C:4]([H:11])([H:12])[H:13])([C:5]([H:14])([H:15])[H:16])[C:6]#[C:7][H:17])([H:8])([H:9])[H:10],[C:1]([O:2][C@@:3]1([C:5]([H:14])([H:15])[H:16])[C@@:4]2([H:13])[C:6]1=[C:7]2[H:17])([H:8])([H:9])[H:10].[H:11][H:12],"InChI=1S/C6H10O/c1-5-6(2,3)7-4/h1H,2-4H3","InChI=1S/C6H8O.H2/c1-6(7-2)4-3-5(4)6;/h3-4H,1-2H3;1H/t4-,6+;/m1./s1",109.99031000000001,65.76229000000001,
15796,[C:1]([O:2][C:3]([C:4]([H:11])([H:12])[H:13])([C:5]([H:14])([H:15])[H:16])[C:6]#[C:7][H:17])([H:8])([H:9])[H:10],[C:1]([O:2][C@@:3]1([C:5]([H:14])([H:15])[H:16])[C:4]([H:11])([H:12])[C:7]([H:13])([H:17])[C:6]1)([H:8])([H:9])[H:10],"InChI=1S/C6H10O/c1-5-6(2,3)7-4/h1H,2-4H3","InChI=1S/C6H10O/c1-6(7-2)4-3-5-6/h3-4H2,1-2H3/t6-/m0/s1",91.68979,67.40451,
15797,[C:1]([O:2][C:3]([C:4]([H:11])([H:12])[H:13])([C:5]([H:14])([H:15])[H:16])[C:6]#[C:7][H:17])([H:8])([H:9])[H:10],[C-:1]([O+:2]=[C:3]([C:5]([H:14])([H:15])[H:16])[C:6]#[C:7][H:17])([H:8])[H:9].[C:4]([H:10])([H:11])([H:12])[H:13],"InChI=1S/C6H10O/c1-5-6(2,3)7-4/h1H,2-4H3","InChI=1S/C5H6O.CH4/c1-4-5(2)6-3;/h1H,3H2,2H3;1H4",67.17054,46.387640000000005,
15798,[C:1]([C:2]([C@@:3]([C:4]([H:14])([H:15])[H:16])([N:5]([C:6](=[O:7])[H:18])[H:17])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:3]([C:4]([H:14])([H:15])[H:16])([N:5]([C:6][O:7][H:18])[H:17])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H11NO/c1-3-5(2)6-4-7/h4-5H,3H2,1-2H3,(H,6,7)/t5-/m1/s1","InChI=1S/C5H11NO/c1-3-5(2)6-4-7/h5-7H,3H2,1-2H3/t5-/m1/s1",72.51979,43.57714,
15799,[C:1]([C:2]([C@@:3]([C:4]([H:14])([H:15])[H:16])([N:5]([C:6](=[O:7])[H:18])[H:17])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:3]([C:4]([H:14])([H:15])[H:16])([N:5]=[C:6]=[O:7])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10].[H:17][H:18],"InChI=1S/C5H11NO/c1-3-5(2)6-4-7/h4-5H,3H2,1-2H3,(H,6,7)/t5-/m1/s1","InChI=1S/C5H9NO.H2/c1-3-5(2)6-4-7;/h5H,3H2,1-2H3;1H/t5-;/m1./s1",70.51155,16.04221,
15800,[C:1]([C:2]([C@@:3]([C:4]([H:14])([H:15])[H:16])([N:5]([C:6](=[O:7])[H:18])[H:17])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:17].[C:2](/[C:3](=[N:5]/[C:6](=[O:7])[H:18])[H:13])([C:4]([H:14])([H:15])[H:16])([H:11])[H:12],"InChI=1S/C5H11NO/c1-3-5(2)6-4-7/h4-5H,3H2,1-2H3,(H,6,7)/t5-/m1/s1","InChI=1S/C4H7NO.CH4/c1-2-3-5-4-6;/h3-4H,2H2,1H3;1H4/b5-3+;",89.37236,22.3362,
15801,[C:1]([C:2]([C@@:3]([C:4]([H:14])([H:15])[H:16])([N:5]([C:6](=[O:7])[H:18])[H:17])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:12])[C@:3]([C:4]([H:14])([H:15])[H:16])([H:13])[N:5]([H:17])[C@@:6]1([O:7][H:11])[H:18])([H:8])([H:9])[H:10],"InChI=1S/C5H11NO/c1-3-5(2)6-4-7/h4-5H,3H2,1-2H3,(H,6,7)/t5-/m1/s1","InChI=1S/C5H11NO/c1-3-4(2)6-5(3)7/h3-7H,1-2H3/t3-,4+,5+/m0/s1",90.54184000000001,26.569490000000002,
15802,[C:1]([C:2]([C@@:3]([C:4]([H:14])([H:15])[H:16])([N:5]([C:6](=[O:7])[H:18])[H:17])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C-:6]#[O+:7].[C:1]([C:2](/[C:3](=[N:5]\[H:17])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10].[C:4]([H:14])([H:15])([H:16])[H:18],"InChI=1S/C5H11NO/c1-3-5(2)6-4-7/h4-5H,3H2,1-2H3,(H,6,7)/t5-/m1/s1","InChI=1S/C3H7N.CO.CH4/c1-2-3-4;1-2;/h3-4H,2H2,1H3;;1H4/b4-3-;;",77.2618,25.509829999999997,
15803,[C:1]([C:2]([C@@:3]([C:4]([H:14])([H:15])[H:16])([N:5]([C:6](=[O:7])[H:18])[H:17])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:3](\[C:4]([H:14])([H:15])[H:16])[H:13])[H:12])([H:8])([H:9])[H:10].[N:5](=[C:6](/[O:7][H:11])[H:18])\[H:17],"InChI=1S/C5H11NO/c1-3-5(2)6-4-7/h4-5H,3H2,1-2H3,(H,6,7)/t5-/m1/s1","InChI=1S/C4H8.CH3NO/c1-3-4-2;2-1-3/h3-4H,1-2H3;1H,(H2,2,3)/b4-3-;",51.03688,25.10795,Retroene
15804,[C:1]([C:2]([C@@:3]([C:4]([H:14])([H:15])[H:16])([N:5]([C:6](=[O:7])[H:18])[H:17])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:6](=[O:7])[H:18])([H:11])[H:12])([H:8])([H:9])[H:10].[C:3](\[C:4]([H:14])([H:15])[H:16])(=[N:5]\[H:17])[H:13],"InChI=1S/C5H11NO/c1-3-5(2)6-4-7/h4-5H,3H2,1-2H3,(H,6,7)/t5-/m1/s1","InChI=1S/C3H6O.C2H5N/c1-2-3-4;1-2-3/h3H,2H2,1H3;2-3H,1H3/b;3-2-",86.3657,30.192459999999997,
15805,[C:1]([C:2]([C@@:3]([C:4]([H:14])([H:15])[H:16])([N:5]([C:6](=[O:7])[H:18])[H:17])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3](=[C:4]([H:15])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10].[N:5](=[C:6](/[O:7][H:14])[H:18])\[H:17],"InChI=1S/C5H11NO/c1-3-5(2)6-4-7/h4-5H,3H2,1-2H3,(H,6,7)/t5-/m1/s1","InChI=1S/C4H8.CH3NO/c1-3-4-2;2-1-3/h3H,1,4H2,2H3;1H,(H2,2,3)",51.87485,27.51159,Retroene
15806,[C:1]([C:2]([C@@:3]([C:4]([H:14])([H:15])[H:16])([N:5]([C:6](=[O:7])[H:18])[H:17])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](=[C:2]([H:11])[H:12])([H:8])[H:10].[C:3](=[C:4]([H:15])[H:16])([N:5]([C+:6]([O-:7])[H:18])[H:17])[H:13].[H:9][H:14],"InChI=1S/C5H11NO/c1-3-5(2)6-4-7/h4-5H,3H2,1-2H3,(H,6,7)/t5-/m1/s1","InChI=1S/C3H5NO.C2H4.H2/c1-2-4-3-5;1-2;/h2-4H,1H2;1-2H2;1H",76.4487,54.588969999999996,
15807,[C:1]([C:2]([C@@:3]([C:4]([H:14])([H:15])[H:16])([N:5]([C:6](=[O:7])[H:18])[H:17])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([O+:7]=[C:6]([N:5]([C-:3]([C:4]([H:14])([H:15])[H:16])[H:13])[H:17])[H:18])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H11NO/c1-3-5(2)6-4-7/h4-5H,3H2,1-2H3,(H,6,7)/t5-/m1/s1","InChI=1S/C5H11NO/c1-3-6-5-7-4-2/h3,5-6H,4H2,1-2H3",79.29851,66.53013,
15808,[C:1]([C:2]([C@@:3]([C:4]([H:14])([H:15])[H:16])([N:5]([C:6](=[O:7])[H:18])[H:17])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:13].[C:2](=[C:3]([C:4]([H:14])([H:15])[H:16])[N:5]([C+:6]([O-:7])[H:18])[H:17])([H:11])[H:12],"InChI=1S/C5H11NO/c1-3-5(2)6-4-7/h4-5H,3H2,1-2H3,(H,6,7)/t5-/m1/s1","InChI=1S/C4H7NO.CH4/c1-4(2)5-3-6;/h3,5H,1H2,2H3;1H4",103.8423,15.66416,
15809,[C:1]([C:2]([C@@:3]([C:4]([H:14])([H:15])[H:16])([N:5]([C:6](=[O:7])[H:18])[H:17])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([N:5]([C:3]([C:2]([H:9])([H:11])[H:12])([C:4]([H:14])([H:15])[H:16])[H:13])[C:6](=[O:7])[H:18])([H:8])([H:10])[H:17],"InChI=1S/C5H11NO/c1-3-5(2)6-4-7/h4-5H,3H2,1-2H3,(H,6,7)/t5-/m1/s1","InChI=1S/C5H11NO/c1-5(2)6(3)4-7/h4-5H,1-3H3",100.96387,5.5976,
15810,[C:1]([C:2]([C@@:3]([C:4]([H:14])([H:15])[H:16])([N:5]([C:6](=[O:7])[H:18])[H:17])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C-:3]([N:5]([C:6](=[O+:7][C:4]([H:14])([H:15])[H:16])[H:18])[H:17])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H11NO/c1-3-5(2)6-4-7/h4-5H,3H2,1-2H3,(H,6,7)/t5-/m1/s1","InChI=1S/C5H11NO/c1-3-4-6-5-7-2/h4-6H,3H2,1-2H3",83.6921,69.28045999999999,
15811,[C:1]([C:2]([C@@:3]([C:4]([H:14])([H:15])[H:16])([N:5]([C:6](=[O:7])[H:18])[H:17])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C-:6]#[O+:7].[C:1]([C:2]([C@@:3]([C:4]([H:14])([H:15])[H:16])([N:5]([H:17])[H:18])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H11NO/c1-3-5(2)6-4-7/h4-5H,3H2,1-2H3,(H,6,7)/t5-/m1/s1","InChI=1S/C4H11N.CO/c1-3-4(2)5;1-2/h4H,3,5H2,1-2H3;/t4-;/m1./s1",75.36303000000001,15.2612,"1,2_Insertion_CO"
15812,[C:1]([C:2]([C@@:3]([C:4]([H:14])([H:15])[H:16])([N:5]([C:6](=[O:7])[H:18])[H:17])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C-:6]#[O+:7].[C:1]([C:2](/[C:3]([C:4]([H:14])([H:15])[H:16])=[N:5]\[H:17])([H:11])[H:12])([H:8])([H:9])[H:10].[H:13][H:18],"InChI=1S/C5H11NO/c1-3-5(2)6-4-7/h4-5H,3H2,1-2H3,(H,6,7)/t5-/m1/s1","InChI=1S/C4H9N.CO.H2/c1-3-4(2)5;1-2;/h5H,3H2,1-2H3;;1H/b5-4-;;",66.67288,33.09352,
15813,[C:1]([C:2]([C@@:3]([C:4]([H:14])([H:15])[H:16])([N:5]([C:6](=[O:7])[H:18])[H:17])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:3]([C:4]([H:14])([H:15])[H:16])(/[N:5]=[C:6](/[O:7][H:17])[H:18])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H11NO/c1-3-5(2)6-4-7/h4-5H,3H2,1-2H3,(H,6,7)/t5-/m1/s1","InChI=1S/C5H11NO/c1-3-5(2)6-4-7/h4-5H,3H2,1-2H3,(H,6,7)/t5-/m1/s1",40.89788,8.529910000000001,ketoenol
15814,[C:1]([C:2]([C@@:3]([C:4]([H:14])([H:15])[H:16])([N:5]([C:6](=[O:7])[H:18])[H:17])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([N:5]([C:6](=[O:7])[H:18])[H:17])([H:8])([H:9])[H:10].[C:2](=[C:3]([C:4]([H:14])([H:15])[H:16])[H:13])([H:11])[H:12],"InChI=1S/C5H11NO/c1-3-5(2)6-4-7/h4-5H,3H2,1-2H3,(H,6,7)/t5-/m1/s1","InChI=1S/C3H6.C2H5NO/c1-3-2;1-3-2-4/h3H,1H2,2H3;2H,1H3,(H,3,4)",106.71996000000001,24.0767,
15815,[C:1]([C:2]([C@@:3]([C:4]([H:14])([H:15])[H:16])([N:5]([C:6](=[O:7])[H:18])[H:17])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:3]([C:4]([H:14])([H:15])[H:16])([O:7]/[C:6](=[N:5]/[H:17])[H:18])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H11NO/c1-3-5(2)6-4-7/h4-5H,3H2,1-2H3,(H,6,7)/t5-/m1/s1","InChI=1S/C5H11NO/c1-3-5(2)7-4-6/h4-6H,3H2,1-2H3/b6-4+/t5-/m1/s1",56.9671,15.19505,ketoenol
15816,[C:1]([C:2]([C@@:3]([C:4]([H:14])([H:15])[H:16])([N:5]([C:6](=[O:7])[H:18])[H:17])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:15])([H:16])[C@@:6]([O:7][H:14])([H:18])[N:5]1[H:17])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H11NO/c1-3-5(2)6-4-7/h4-5H,3H2,1-2H3,(H,6,7)/t5-/m1/s1","InChI=1S/C5H11NO/c1-2-4-3-5(7)6-4/h4-7H,2-3H2,1H3/t4-,5-/m0/s1",90.73375,28.28848,
15817,[C:1]([C:2]([C@@:3]([C:4]([H:14])([H:15])[H:16])([N:5]([C:6](=[O:7])[H:18])[H:17])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:3]([C:4]([H:14])([H:15])[H:16])/[N:5]=[C:6](\[O:7][H:13])[H:18])[H:12])([H:8])([H:9])[H:10].[H:11][H:17],"InChI=1S/C5H11NO/c1-3-5(2)6-4-7/h4-5H,3H2,1-2H3,(H,6,7)/t5-/m1/s1","InChI=1S/C5H9NO.H2/c1-3-5(2)6-4-7;/h3-4H,1-2H3,(H,6,7);1H/b5-3+;",83.49265,33.30518,
15818,[C:1]([C:2]([C@@:3]([C:4]([H:14])([H:15])[H:16])([N:5]([C:6](=[O:7])[H:18])[H:17])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3](=[C:4]([H:15])[H:16])/[N:5]=[C:6](\[O:7][H:13])[H:18])([H:11])[H:12])([H:8])([H:9])[H:10].[H:14][H:17],"InChI=1S/C5H11NO/c1-3-5(2)6-4-7/h4-5H,3H2,1-2H3,(H,6,7)/t5-/m1/s1","InChI=1S/C5H9NO.H2/c1-3-5(2)6-4-7;/h4H,2-3H2,1H3,(H,6,7);1H",90.19244,34.0727,
15819,[C:1]([C:2]([C@@:3]([C:4]([H:14])([H:15])[H:16])([N:5]([C:6](=[O:7])[H:18])[H:17])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](=[C:2]([H:11])[H:12])([H:8])[H:10].[C:3](\[C:4]([H:14])([H:15])[H:16])(=[N:5]\[H:17])[H:13].[C:6](=[O:7])([H:9])[H:18],"InChI=1S/C5H11NO/c1-3-5(2)6-4-7/h4-5H,3H2,1-2H3,(H,6,7)/t5-/m1/s1","InChI=1S/C2H5N.C2H4.CH2O/c1-2-3;2*1-2/h2-3H,1H3;1-2H2;1H2/b3-2-;;",74.2611,61.20777,
15820,[C:1]([C:2]([C@@:3]([C:4]([H:14])([H:15])[H:16])([N:5]([C:6](=[O:7])[H:18])[H:17])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C-:1]([C:2](/[C:3](=[N+:5](/[C:6](=[O:7])[H:18])[H:17])[H:13])([H:11])[H:12])([H:8])[H:10].[C:4]([H:9])([H:14])([H:15])[H:16],"InChI=1S/C5H11NO/c1-3-5(2)6-4-7/h4-5H,3H2,1-2H3,(H,6,7)/t5-/m1/s1","InChI=1S/C4H6NO.CH4/c1-2-3-5-4-6;/h3-4H,1-2H2;1H4/q-1;/p+1/b5-3+;",88.08024,82.65041,
15821,[C:1]([C:2]([C@@:3]([C:4]([H:14])([H:15])[H:16])([N:5]([C:6](=[O:7])[H:18])[H:17])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2](/[C:3]([C:4]([H:14])([H:15])[H:16])=[N:5]/[C:6](=[O:7])[H:18])([H:11])[H:12])([H:8])([H:9])[H:10].[H:13][H:17],"InChI=1S/C5H11NO/c1-3-5(2)6-4-7/h4-5H,3H2,1-2H3,(H,6,7)/t5-/m1/s1","InChI=1S/C5H9NO.H2/c1-3-5(2)6-4-7;/h4H,3H2,1-2H3;1H/b6-5+;",93.26266,29.283240000000003,
15822,[C:1]([C:2]([C@@:3]([C:4]([H:14])([H:15])[H:16])([N:5]([C:6](=[O:7])[H:18])[H:17])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:15])([H:16])[N:5]1[H:17])([H:11])[H:12])([H:8])([H:9])[H:10].[C:6](=[O:7])([H:14])[H:18],"InChI=1S/C5H11NO/c1-3-5(2)6-4-7/h4-5H,3H2,1-2H3,(H,6,7)/t5-/m1/s1","InChI=1S/C4H9N.CH2O/c1-2-4-3-5-4;1-2/h4-5H,2-3H2,1H3;1H2/t4-;/m0./s1",101.13972,57.20458000000001,
15823,[C:1]([C:2]([C@@:3]([C:4]([H:14])([H:15])[H:16])([N:5]([C:6](=[O:7])[H:18])[H:17])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](=[C:2]([H:11])[H:12])([H:8])[H:10].[C:3](\[C:4]([H:14])([H:15])[H:16])(=[N:5]/[C:6](=[O:7])[H:18])[H:13].[H:9][H:17],"InChI=1S/C5H11NO/c1-3-5(2)6-4-7/h4-5H,3H2,1-2H3,(H,6,7)/t5-/m1/s1","InChI=1S/C3H5NO.C2H4.H2/c1-2-4-3-5;1-2;/h2-3H,1H3;1-2H2;1H/b4-2+;;",77.51864,58.31098000000001,
15824,[C:1]([C:2]([C@@:3]([C:4]([H:14])([H:15])[H:16])([N:5]([C:6](=[O:7])[H:18])[H:17])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C-:3]=[N+:5]([C:6](=[O:7])[H:18])[H:17])([H:11])[H:12])([H:8])([H:9])[H:10].[C:4]([H:13])([H:14])([H:15])[H:16],"InChI=1S/C5H11NO/c1-3-5(2)6-4-7/h4-5H,3H2,1-2H3,(H,6,7)/t5-/m1/s1","InChI=1S/C4H7NO.CH4/c1-2-3-5-4-6;/h4-5H,2H2,1H3;1H4",73.30295,64.45933000000001,
15825,[C:1]([C:2]([C@@:3]([C:4]([H:14])([H:15])[H:16])([N:5]([C:6](=[O:7])[H:18])[H:17])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:12])[C@:3]([C:4]([H:14])([H:15])[H:16])([H:13])[N:5]1[H:17])([H:8])([H:9])[H:10].[C:6](=[O:7])([H:11])[H:18],"InChI=1S/C5H11NO/c1-3-5(2)6-4-7/h4-5H,3H2,1-2H3,(H,6,7)/t5-/m1/s1","InChI=1S/C4H9N.CH2O/c1-3-4(2)5-3;1-2/h3-5H,1-2H3;1H2/t3-,4+;",96.01701,54.95729,
15826,[C:1]([C:2]([C@@:3]([C:4]([H:14])([H:15])[H:16])([N:5]([C:6](=[O:7])[H:18])[H:17])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C-:1]1([H:8])[C:2]([H:11])([H:12])[C@:3]([C:4]([H:14])([H:15])[H:16])([H:13])[N:5]([H:17])[C:6]([H:18])=[O+:7]1.[H:9][H:10],"InChI=1S/C5H11NO/c1-3-5(2)6-4-7/h4-5H,3H2,1-2H3,(H,6,7)/t5-/m1/s1","InChI=1S/C5H9NO.H2/c1-5-2-3-7-4-6-5;/h3-6H,2H2,1H3;1H/t5-;/m1./s1",102.60139000000001,87.41669,
15827,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C:4]([H:13])([H:14])/[C:5]1=[N:6]\[O:7][H:15])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:5]([N:6]([O:7][H:15])[H:11])[C:4]([H:13])([H:14])[N:3]1[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H8N2O/c1-3-4(6-7)2-5-3/h3,5,7H,2H2,1H3/b6-4+/t3-/m1/s1","InChI=1S/C4H8N2O/c1-3-4(6-7)2-5-3/h5-7H,2H2,1H3",78.03531,14.46713,
15828,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C:4]([H:13])([H:14])/[C:5]1=[N:6]\[O:7][H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C:4]([H:13])([H:14])[C@@:5]1([N:6]=[O:7])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C4H8N2O/c1-3-4(6-7)2-5-3/h3,5,7H,2H2,1H3/b6-4+/t3-/m1/s1","InChI=1S/C4H8N2O/c1-3-4(6-7)2-5-3/h3-5H,2H2,1H3/t3-,4+/m1/s1",64.80076,20.35171,ketoenol
15829,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C:4]([H:13])([H:14])/[C:5]1=[N:6]\[O:7][H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C:4]/[C:5]1=[N:6]\[O:7][H:15])([H:8])([H:9])[H:10].[H:13][H:14],"InChI=1S/C4H8N2O/c1-3-4(6-7)2-5-3/h3,5,7H,2H2,1H3/b6-4+/t3-/m1/s1","InChI=1S/C4H6N2O.H2/c1-3-4(6-7)2-5-3;/h3,5,7H,1H3;1H/b6-4+;/t3-;/m1./s1",71.22795,64.82587,
15830,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C:4]([H:13])([H:14])/[C:5]1=[N:6]\[O:7][H:15])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:11].[C:2]1[N:3]([H:12])[C:4]([H:13])([H:14])/[C:5]1=[N:6]\[O:7][H:15],"InChI=1S/C4H8N2O/c1-3-4(6-7)2-5-3/h3,5,7H,2H2,1H3/b6-4+/t3-/m1/s1","InChI=1S/C3H4N2O.CH4/c6-5-3-1-4-2-3;/h4,6H,1H2;1H4/b5-3+;",66.82268,53.48738,
15831,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C:4]([H:13])([H:14])/[C:5]1=[N:6]\[O:7][H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[N:3][C:4]([H:13])([H:14])[C@:5]1([N:6][O:7][H:15])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H8N2O/c1-3-4(6-7)2-5-3/h3,5,7H,2H2,1H3/b6-4+/t3-/m1/s1","InChI=1S/C4H8N2O/c1-3-4(6-7)2-5-3/h3-4,7H,2H2,1H3/t3-,4-/m1/s1",85.04609,52.56921,
15832,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C:4]([H:13])([H:14])/[C:5]1=[N:6]\[O:7][H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]([N:3]([C:4]([H:13])([H:14])[H:15])[H:12])([C:5]#[N+:6][O-:7])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H8N2O/c1-3-4(6-7)2-5-3/h3,5,7H,2H2,1H3/b6-4+/t3-/m1/s1","InChI=1S/C4H8N2O/c1-4(5-2)3-6-7/h4-5H,1-2H3/t4-/m1/s1",52.962219999999995,0.75347,
15833,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C:4]([H:13])([H:14])/[C:5]1=[N:6]\[O:7][H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C:4]([H:13])([H:14])[C+:5]1[N:6]([O-:7])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C4H8N2O/c1-3-4(6-7)2-5-3/h3,5,7H,2H2,1H3/b6-4+/t3-/m1/s1","InChI=1S/C4H8N2O/c1-3-4(6-7)2-5-3/h3,5-6H,2H2,1H3/t3-/m1/s1",49.891259999999996,17.06224,
15834,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C:4]([H:13])([H:14])/[C:5]1=[N:6]\[O:7][H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C:4]([H:14])=[C:5]1[N:6]([O:7][H:15])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H8N2O/c1-3-4(6-7)2-5-3/h3,5,7H,2H2,1H3/b6-4+/t3-/m1/s1","InChI=1S/C4H8N2O/c1-3-4(6-7)2-5-3/h2-3,5-7H,1H3/t3-/m1/s1",67.24945,17.94046,
15835,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C:4]([H:13])([H:14])/[C:5]1=[N:6]\[O:7][H:15])([H:8])([H:9])[H:10],[C:1]([N+:3]1([H:12])[C-:2]([H:11])[C:5](=[N:6][O:7][H:15])[C:4]1([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C4H8N2O/c1-3-4(6-7)2-5-3/h3,5,7H,2H2,1H3/b6-4+/t3-/m1/s1","InChI=1S/C4H8N2O/c1-6-2-4(3-6)5-7/h2,6-7H,3H2,1H3",96.14368,48.97065,
15836,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C:4]([H:13])([H:14])/[C:5]1=[N:6]\[O:7][H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[N+:3]([H:12])([H:15])[C:4]([H:13])([H:14])[C:5]1=[N:6][O-:7])([H:8])([H:9])[H:10],"InChI=1S/C4H8N2O/c1-3-4(6-7)2-5-3/h3,5,7H,2H2,1H3/b6-4+/t3-/m1/s1","InChI=1S/C4H8N2O/c1-3-4(6-7)2-5-3/h3,5,7H,2H2,1H3/t3-/m1/s1",58.85156,43.3184,
15837,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C:4]([H:13])([H:14])/[C:5]1=[N:6]\[O:7][H:15])([H:8])([H:9])[H:10],[C:1](=[C:2]([N:3]([C:4]([C:5][N:6]([O:7][H:15])[H:9])([H:13])[H:14])[H:12])[H:11])([H:8])[H:10],"InChI=1S/C4H8N2O/c1-3-4(6-7)2-5-3/h3,5,7H,2H2,1H3/b6-4+/t3-/m1/s1","InChI=1S/C4H8N2O/c1-2-5-3-4-6-7/h2,5-7H,1,3H2",81.42916,37.81694,
15838,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C:4]([H:13])([H:14])/[C:5]1=[N:6]\[O:7][H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[N:3]2[C:4]([H:13])([H:14])[C@@:5]12[N:6]([O:7][H:15])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H8N2O/c1-3-4(6-7)2-5-3/h3,5,7H,2H2,1H3/b6-4+/t3-/m1/s1","InChI=1S/C4H8N2O/c1-3-4(5-7)2-6(3)4/h3,5,7H,2H2,1H3/t3-,4+,6?/m1/s1",78.94376,33.98041,
15839,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C:4]([H:13])([H:14])/[C:5]1=[N:6]\[O:7][H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C+:4]([H:14])[C@@:5]1([N-:6][O:7][H:15])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H8N2O/c1-3-4(6-7)2-5-3/h3,5,7H,2H2,1H3/b6-4+/t3-/m1/s1","InChI=1S/C4H8N2O/c1-3-4(6-7)2-5-3/h2-5,7H,1H3/t3-,4+/m1/s1",67.24938,62.30596,
15840,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C:4]([H:13])([H:14])/[C:5]1=[N:6]\[O:7][H:15])([H:8])([H:9])[H:10],[C:1](/[C:2](=[N:3]/[H:12])[H:11])([H:8])([H:9])[H:10].[C:4]([C:5]#[N:6])([O:7][H:15])([H:13])[H:14],"InChI=1S/C4H8N2O/c1-3-4(6-7)2-5-3/h3,5,7H,2H2,1H3/b6-4+/t3-/m1/s1","InChI=1S/C2H3NO.C2H5N/c3-1-2-4;1-2-3/h4H,2H2;2-3H,1H3/b;3-2+",71.08641,-30.192220000000002,
15841,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C:4]([H:13])([H:14])/[C:5]1=[N:6]\[O:7][H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[N+:3]([H:12])([H:14])[C-:4]([H:13])[C:5]1=[N:6][O:7][H:15])([H:8])([H:9])[H:10],"InChI=1S/C4H8N2O/c1-3-4(6-7)2-5-3/h3,5,7H,2H2,1H3/b6-4+/t3-/m1/s1","InChI=1S/C4H8N2O/c1-3-4(6-7)2-5-3/h2-3,7H,5H2,1H3/t3-/m1/s1",62.491609999999994,40.63439,
15842,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C:4]([H:13])([H:14])/[C:5]1=[N:6]\[O:7][H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C+:4]([H:14])[C:5]1=[N-:6])([H:8])([H:9])[H:10].[O:7]([H:13])[H:15],"InChI=1S/C4H8N2O/c1-3-4(6-7)2-5-3/h3,5,7H,2H2,1H3/b6-4+/t3-/m1/s1","InChI=1S/C4H6N2.H2O/c1-3-4(5)2-6-3;/h2-3,6H,1H3;1H2/t3-;/m1./s1",60.75874,29.1578,
15843,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C:4]([H:13])([H:14])/[C:5]1=[N:6]\[O:7][H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C@:5]2([N:3]([H:12])[C:4]2([H:13])[H:14])[N:6]1[O:7][H:15])([H:8])([H:9])[H:10],"InChI=1S/C4H8N2O/c1-3-4(6-7)2-5-3/h3,5,7H,2H2,1H3/b6-4+/t3-/m1/s1","InChI=1S/C4H8N2O/c1-3-4(2-5-4)6(3)7/h3,5,7H,2H2,1H3/t3-,4+,6?/m0/s1",75.26819,32.29521,
15844,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C:4]([H:13])([H:14])/[C:5]1=[N:6]\[O:7][H:15])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:5]=[N:6][O:7][H:15])[H:11])([H:8])([H:9])[H:10].[N:3](=[C:4]([H:13])[H:14])[H:12],"InChI=1S/C4H8N2O/c1-3-4(6-7)2-5-3/h3,5,7H,2H2,1H3/b6-4+/t3-/m1/s1","InChI=1S/C3H5NO.CH3N/c1-2-3-4-5;1-2/h2,5H,1H3;2H,1H2",56.743719999999996,20.72699,
15845,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C:4]([H:13])([H:14])/[C:5]1=[N:6]\[O:7][H:15])([H:8])([H:9])[H:10],[C:1]([C+:2]1[N:3]([H:12])[C:4]([H:13])=[C:5]1[N-:6][O:7][H:15])([H:8])([H:9])[H:10].[H:11][H:14],"InChI=1S/C4H8N2O/c1-3-4(6-7)2-5-3/h3,5,7H,2H2,1H3/b6-4+/t3-/m1/s1","InChI=1S/C4H6N2O.H2/c1-3-4(6-7)2-5-3;/h2,5,7H,1H3;1H",69.65201,62.654180000000004,
15846,[C:1]([C@@:2]1([H:11])[N:3]([H:12])[C:4]([H:13])([H:14])/[C:5]1=[N:6]\[O:7][H:15])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[N:3]2[C:4]([H:13])([H:14])[C@@:5]12[N:6]=[O:7])([H:8])([H:9])[H:10].[H:12][H:15],"InChI=1S/C4H8N2O/c1-3-4(6-7)2-5-3/h3,5,7H,2H2,1H3/b6-4+/t3-/m1/s1","InChI=1S/C4H6N2O.H2/c1-3-4(5-7)2-6(3)4;/h3H,2H2,1H3;1H/t3-,4+,6?;/m1./s1",86.77717,64.50133000000001,
15847,[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([O:7][H:21])([H:19])[H:20])([H:17])[H:18])([H:15])[H:16])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([C:4]([C:5]([H:17])([H:18])[H:20])([H:15])[H:16])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10].[C:6]([O:7][H:21])[H:19],"InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3","InChI=1S/C5H12.CH2O/c1-3-5-4-2;1-2/h3-5H2,1-2H3;1-2H",72.43508,69.72005,
15848,[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([O:7][H:21])([H:19])[H:20])([H:17])[H:18])([H:15])[H:16])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([C:4]([C:5]([C:6](=[O:7])[H:19])([H:17])[H:20])([H:15])[H:16])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10].[H:18][H:21],"InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3","InChI=1S/C6H12O.H2/c1-2-3-4-5-6-7;/h6H,2-5H2,1H3;1H",75.65746,16.54973,
15849,[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([O:7][H:21])([H:19])[H:20])([H:17])[H:18])([H:15])[H:16])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C@:2]1([H:11])[C:3]([H:13])([H:14])[C:4]([H:15])([H:16])[C:5]([H:17])([H:18])[C@:6]1([O:7][H:21])[H:19])([H:8])([H:9])[H:10].[H:12][H:20],"InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3","InChI=1S/C6H12O.H2/c1-5-3-2-4-6(5)7;/h5-7H,2-4H2,1H3;1H/t5-,6-;/m1./s1",96.44148,13.022960000000001,
15850,[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([O:7][H:21])([H:19])[H:20])([H:17])[H:18])([H:15])[H:16])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:13])([H:14])[H:20])([H:11])[H:12])([H:8])([H:9])[H:10].[C:4]1([H:15])([H:16])[C:5]([H:17])([H:18])[C:6]1([O:7][H:21])[H:19],"InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3","InChI=1S/C3H6O.C3H8/c4-3-1-2-3;1-3-2/h3-4H,1-2H2;3H2,1-2H3",92.48735,24.35381,
15851,[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([O:7][H:21])([H:19])[H:20])([H:17])[H:18])([H:15])[H:16])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([C:4]([C:5](=[C:6]([H:19])[H:20])[H:18])([H:15])[H:16])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10].[O:7]([H:17])[H:21],"InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3","InChI=1S/C6H12.H2O/c1-3-5-6-4-2;/h3H,1,4-6H2,2H3;1H2",60.11674,9.47644,"1,3_Insertion_ROR"
15852,[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([O:7][H:21])([H:19])[H:20])([H:17])[H:18])([H:15])[H:16])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2](/[C:3](=[C:4](/[C:5]([C:6]([O:7][H:21])([H:19])[H:20])([H:17])[H:18])[H:15])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10].[H:14][H:16],"InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3","InChI=1S/C6H12O.H2/c1-2-3-4-5-6-7;/h3-4,7H,2,5-6H2,1H3;1H/b4-3+;",107.47001999999999,27.641859999999998,
15853,[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([O:7][H:21])([H:19])[H:20])([H:17])[H:18])([H:15])[H:16])([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](=[C:2]([C:3]([C:4]([C:5]([C:6]([O:7][H:21])([H:19])[H:20])([H:17])[H:18])([H:15])[H:16])([H:13])[H:14])[H:12])([H:9])[H:10].[H:8][H:11],"InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3","InChI=1S/C6H12O.H2/c1-2-3-4-5-6-7;/h2,7H,1,3-6H2;1H",107.92456999999999,30.695290000000004,
15854,[N:1]([C@:2]12[C:3]([H:10])([H:11])[C@@:4]1([H:12])[O:5][C:6]2=[O:7])([H:8])[H:9],[N:1]([C@:2]1([H:11])[C@:4]([C:3][H:10])([H:12])[O:5][C:6]1=[O:7])([H:8])[H:9],"InChI=1S/C4H5NO2/c5-4-1-2(4)7-3(4)6/h2H,1,5H2/t2-,4-/m1/s1","InChI=1S/C4H5NO2/c1-2-3(5)4(6)7-2/h1-3H,5H2/t2-,3-/m1/s1",61.09461999999999,62.70307,
15855,[N:1]([C@:2]12[C:3]([H:10])([H:11])[C@@:4]1([H:12])[O:5][C:6]2=[O:7])([H:8])[H:9],[N:1]([C:2]([C@@:4]1([H:12])[C:3]([H:10])([H:11])[O:5]1)=[C:6]=[O:7])([H:8])[H:9],"InChI=1S/C4H5NO2/c5-4-1-2(4)7-3(4)6/h2H,1,5H2/t2-,4-/m1/s1","InChI=1S/C4H5NO2/c5-3(1-6)4-2-7-4/h4H,2,5H2/t4-/m1/s1",60.766709999999996,16.61938,
15856,[N:1]([C@:2]12[C:3]([H:10])([H:11])[C@@:4]1([H:12])[O:5][C:6]2=[O:7])([H:8])[H:9],[N:1](=[C:2](/[C:3]([C:4](=[O:5])[H:12])([H:10])[H:11])[C:6](=[O:7])[H:9])\[H:8],"InChI=1S/C4H5NO2/c5-4-1-2(4)7-3(4)6/h2H,1,5H2/t2-,4-/m1/s1","InChI=1S/C4H5NO2/c5-4(3-7)1-2-6/h2-3,5H,1H2/b5-4-",92.12522,-14.161029999999998,
15857,[N:1]([C@:2]12[C:3]([H:10])([H:11])[C@@:4]1([H:12])[O:5][C:6]2=[O:7])([H:8])[H:9],[N:1]([C:2]([C:3]([C:4](=[O:5])[H:12])([H:10])[H:11])=[C:6]=[O:7])([H:8])[H:9],"InChI=1S/C4H5NO2/c5-4-1-2(4)7-3(4)6/h2H,1,5H2/t2-,4-/m1/s1","InChI=1S/C4H5NO2/c5-4(3-7)1-2-6/h2H,1,5H2",13.28619,-7.669760000000001,
15858,[N:1]([C@:2]12[C:3]([H:10])([H:11])[C@@:4]1([H:12])[O:5][C:6]2=[O:7])([H:8])[H:9],[N:1](=[C:2](\[C:6]([O:5][C:4](=[C:3]([H:10])[H:11])[H:12])=[O:7])[H:8])\[H:9],"InChI=1S/C4H5NO2/c5-4-1-2(4)7-3(4)6/h2H,1,5H2/t2-,4-/m1/s1","InChI=1S/C4H5NO2/c1-2-7-4(6)3-5/h2-3,5H,1H2/b5-3-",71.13428,-10.11075,
15859,[N:1]([C@:2]12[C:3]([H:10])([H:11])[C@@:4]1([H:12])[O:5][C:6]2=[O:7])([H:8])[H:9],[N:1]([C:2]1=[C:4]([H:12])[C:3]1([H:10])[H:11])([H:8])[H:9].[O:5]=[C:6]=[O:7],"InChI=1S/C4H5NO2/c5-4-1-2(4)7-3(4)6/h2H,1,5H2/t2-,4-/m1/s1","InChI=1S/C3H5N.CO2/c4-3-1-2-3;2-1-3/h1H,2,4H2;",38.73048,-4.68883,2+2_cycloaddition
15860,[N:1]([C@:2]12[C:3]([H:10])([H:11])[C@@:4]1([H:12])[O:5][C:6]2=[O:7])([H:8])[H:9],[N:1]([C@:2]12[C@:3]([H:10])([C@:4]1([O:5][H:11])[H:12])[C:6]2=[O:7])([H:8])[H:9],"InChI=1S/C4H5NO2/c5-4-1-2(4)7-3(4)6/h2H,1,5H2/t2-,4-/m1/s1","InChI=1S/C4H5NO2/c5-4-1(2(4)6)3(4)7/h1-2,6H,5H2/t1-,2-,4-/m1/s1",70.44826,6.886430000000001,
15861,[N:1]([C@:2]12[C:3]([H:10])([H:11])[C@@:4]1([H:12])[O:5][C:6]2=[O:7])([H:8])[H:9],[N+:1]([C@:2]12[C:3]([H:10])([H:11])[C@@:4]1([H:12])[O+:5]=[C-:6]2)([O-:7])([H:8])[H:9],"InChI=1S/C4H5NO2/c5-4-1-2(4)7-3(4)6/h2H,1,5H2/t2-,4-/m1/s1","InChI=1S/C4H5NO2/c6-5-4-1-3(4)7-2-4/h3H,1,5H2/t3-,4+/m1/s1",154.75999,141.56195,
15862,[N:1]([C@:2]12[C:3]([H:10])([H:11])[C@@:4]1([H:12])[O:5][C:6]2=[O:7])([H:8])[H:9],[N:1]([C@@:2]1([H:12])[C:3]([H:10])([H:11])[C-:4]=[O+:5][C:6]1=[O:7])([H:8])[H:9],"InChI=1S/C4H5NO2/c5-4-1-2(4)7-3(4)6/h2H,1,5H2/t2-,4-/m1/s1","InChI=1S/C4H5NO2/c5-3-1-2-7-4(3)6/h3H,1,5H2/t3-/m0/s1",47.73308,22.719,
15863,[N:1]([C@:2]12[C:3]([H:10])([H:11])[C@@:4]1([H:12])[O:5][C:6]2=[O:7])([H:8])[H:9],[C-:6]#[O+:7].[N:1]([C:2](=[C:3]([H:10])[H:11])[C:4](=[O:5])[H:12])([H:8])[H:9],"InChI=1S/C4H5NO2/c5-4-1-2(4)7-3(4)6/h2H,1,5H2/t2-,4-/m1/s1","InChI=1S/C3H5NO.CO/c1-3(4)2-5;1-2/h2H,1,4H2;",37.88197,-15.02077,
15864,[N:1]([C@:2]12[C:3]([H:10])([H:11])[C@@:4]1([H:12])[O:5][C:6]2=[O:7])([H:8])[H:9],[N:1]([C@:2]12[C:3]([H:10])([H:11])[C-:4]1[O+:5]=[C:6]2[O:7][H:12])([H:8])[H:9],"InChI=1S/C4H5NO2/c5-4-1-2(4)7-3(4)6/h2H,1,5H2/t2-,4-/m1/s1","InChI=1S/C4H5NO2/c5-4-1-2(4)7-3(4)6/h6H,1,5H2/t4-/m1/s1",90.77095,54.427890000000005,
15865,[N:1]([C@:2]12[C:3]([H:10])([H:11])[C@@:4]1([H:12])[O:5][C:6]2=[O:7])([H:8])[H:9],[N:1]([C+:2]=[C:6]([O:5][C:4](=[C:3]([H:10])[H:11])[H:12])[O-:7])([H:8])[H:9],"InChI=1S/C4H5NO2/c5-4-1-2(4)7-3(4)6/h2H,1,5H2/t2-,4-/m1/s1","InChI=1S/C4H5NO2/c1-2-7-4(6)3-5/h2H,1,5H2",25.276629999999997,19.102220000000003,
15866,[N:1]([C@:2]12[C:3]([H:10])([H:11])[C@@:4]1([H:12])[O:5][C:6]2=[O:7])([H:8])[H:9],[N:1]([C:2]1=[C:3]([H:11])[C:4]([H:10])([H:12])[O:5][C:6]1=[O:7])([H:8])[H:9],"InChI=1S/C4H5NO2/c5-4-1-2(4)7-3(4)6/h2H,1,5H2/t2-,4-/m1/s1","InChI=1S/C4H5NO2/c5-3-1-2-7-4(3)6/h1H,2,5H2",67.12128,-40.0288,
15867,[N:1]([C@:2]12[C:3]([H:10])([H:11])[C@@:4]1([H:12])[O:5][C:6]2=[O:7])([H:8])[H:9],[N+:1]1([H:8])([H:9])[C:2]2=[C:6]([O-:7])[O:5][C@:4]2([H:12])[C:3]1([H:10])[H:11],"InChI=1S/C4H5NO2/c5-4-1-2(4)7-3(4)6/h2H,1,5H2/t2-,4-/m1/s1","InChI=1S/C4H5NO2/c6-4-3-2(7-4)1-5-3/h2,5-6H,1H2/t2-/m1/s1",63.92496,46.08505,
15868,[N:1]([C@:2]12[C:3]([H:10])([H:11])[C@@:4]1([H:12])[O:5][C:6]2=[O:7])([H:8])[H:9],[N:1]([C+:2]([C:4](=[C:3]([H:10])[H:11])[H:12])[C:6]([O-:5])=[O:7])([H:8])[H:9],"InChI=1S/C4H5NO2/c5-4-1-2(4)7-3(4)6/h2H,1,5H2/t2-,4-/m1/s1","InChI=1S/C4H5NO2/c1-2-3(5)4(6)7/h2H,1,5H2",31.935959999999998,-17.00531,
15869,[N:1]([C@:2]12[C:3]([H:10])([H:11])[C@@:4]1([H:12])[O:5][C:6]2=[O:7])([H:8])[H:9],[N:1]([C@:2]1([C:6]([O:5][H:12])=[O:7])[C:3]([H:10])([H:11])[C:4]1)([H:8])[H:9],"InChI=1S/C4H5NO2/c5-4-1-2(4)7-3(4)6/h2H,1,5H2/t2-,4-/m1/s1","InChI=1S/C4H5NO2/c5-4(1-2-4)3(6)7/h1,5H2,(H,6,7)/t4-/m1/s1",59.40269,59.762930000000004,
15870,[N:1]([C@:2]12[C:3]([H:10])([H:11])[C@@:4]1([H:12])[O:5][C:6]2=[O:7])([H:8])[H:9],[N+:1]([C@:2]12[C:3]([H:10])([H:11])[C-:4]1[O:5][C:6]2=[O:7])([H:8])([H:9])[H:12],"InChI=1S/C4H5NO2/c5-4-1-2(4)7-3(4)6/h2H,1,5H2/t2-,4-/m1/s1","InChI=1S/C4H4NO2/c5-4-1-2(4)7-3(4)6/h1,5H2/q-1/p+1/t4-/m1/s1",74.13745,64.52765,
15871,[C:1](#[C:2][C:3]12[C:4]([H:9])([H:10])[C:5]([H:11])([C:6]1([H:12])[H:13])[C:7]2([H:14])[H:15])[H:8],[C:1](#[C:2][C:3]1([C:6]([H:11])([H:12])[H:13])[C:4]([H:9])([H:10])[C:5][C:7]1([H:14])[H:15])[H:8],"InChI=1S/C7H8/c1-2-7-3-6(4-7)5-7/h1,6H,3-5H2","InChI=1S/C7H8/c1-3-7(2)5-4-6-7/h1H,5-6H2,2H3",66.13154,55.14252,
15872,[C:1](#[C:2][C:3]12[C:4]([H:9])([H:10])[C:5]([H:11])([C:6]1([H:12])[H:13])[C:7]2([H:14])[H:15])[H:8],[C-:1](=[C:2]([C:3]12[C:4]([H:9])([H:10])[C:5]([H:11])([C+:6]1[H:13])[C:7]2([H:14])[H:15])[H:12])[H:8],"InChI=1S/C7H8/c1-2-7-3-6(4-7)5-7/h1,6H,3-5H2","InChI=1S/C7H8/c1-2-7-3-6(4-7)5-7/h1-3,6H,4-5H2",97.84585,73.99054,
15873,[C:1](#[C:2][C:3]12[C:4]([H:9])([H:10])[C:5]([H:11])([C:6]1([H:12])[H:13])[C:7]2([H:14])[H:15])[H:8],[C+:1](=[C:2]=[C-:3][C:4]([C:5]1([H:11])[C:6]([H:12])([H:13])[C:7]1([H:14])[H:15])([H:9])[H:10])[H:8],"InChI=1S/C7H8/c1-2-7-3-6(4-7)5-7/h1,6H,3-5H2","InChI=1S/C7H8/c1-2-3-4-7-5-6-7/h1,7H,4-6H2",87.90338,40.572,
15874,[C:1](#[C:2][C:3]12[C:4]([H:9])([H:10])[C:5]([H:11])([C:6]1([H:12])[H:13])[C:7]2([H:14])[H:15])[H:8],[C-:1](=[C:2]1[C+:3]2[C:4]([H:9])([H:10])[C:5]([H:11])([C:6]2([H:12])[H:13])[C:7]1([H:14])[H:15])[H:8],"InChI=1S/C7H8/c1-2-7-3-6(4-7)5-7/h1,6H,3-5H2","InChI=1S/C7H8/c1-5-2-6-3-7(5)4-6/h1,6H,2-4H2",62.2213,64.89406,
15875,[C:1](#[C:2][C:3]12[C:4]([H:9])([H:10])[C:5]([H:11])([C:6]1([H:12])[H:13])[C:7]2([H:14])[H:15])[H:8],[C:1](=[C:2])([C:3]12[C:4]([H:9])([H:10])[C:5]([H:11])([C:6]1([H:12])[H:13])[C:7]2([H:14])[H:15])[H:8],"InChI=1S/C7H8/c1-2-7-3-6(4-7)5-7/h1,6H,3-5H2","InChI=1S/C7H8/c1-2-7-3-6(4-7)5-7/h2,6H,3-5H2",56.6877,52.1168,Singlet_Carbene_Intra_Disproportionation
15876,[C:1](#[C:2][C:3]12[C:4]([H:9])([H:10])[C:5]([H:11])([C:6]1([H:12])[H:13])[C:7]2([H:14])[H:15])[H:8],[C:1]1([H:8])=[C:2]=[C:3]2[C:4]([H:9])([H:10])[C:5]([H:11])([C:6]1([H:12])[H:13])[C:7]2([H:14])[H:15],"InChI=1S/C7H8/c1-2-7-3-6(4-7)5-7/h1,6H,3-5H2","InChI=1S/C7H8/c1-2-6-4-7(3-1)5-6/h1,6H,2,4-5H2",66.12558,1.76719,
15877,[C:1](#[C:2][C:3]12[C:4]([H:9])([H:10])[C:5]([H:11])([C:6]1([H:12])[H:13])[C:7]2([H:14])[H:15])[H:8],[C:1](#[C:2][C:3]([C:4]([C:5](=[C:7]([H:14])[H:15])[H:11])([H:9])[H:10])=[C:6]([H:12])[H:13])[H:8],"InChI=1S/C7H8/c1-2-7-3-6(4-7)5-7/h1,6H,3-5H2","InChI=1S/C7H8/c1-4-6-7(3)5-2/h2,4H,1,3,6H2",42.60212,-26.6442,
15878,[C:1](#[C:2][C:3]12[C:4]([H:9])([H:10])[C:5]([H:11])([C:6]1([H:12])[H:13])[C:7]2([H:14])[H:15])[H:8],[C:1](#[C:2][C:3]12[C:4]([H:9])([H:10])[C:5]1([C:7]([H:11])([H:14])[H:15])[C:6]2([H:12])[H:13])[H:8],"InChI=1S/C7H8/c1-2-7-3-6(4-7)5-7/h1,6H,3-5H2","InChI=1S/C7H8/c1-3-7-4-6(7,2)5-7/h1H,4-5H2,2H3",100.32381,-8.80282,
15879,[C:1]([O:2][c:3]1[n:4][n:5]([H:11])[c:6]([H:12])[c:7]1[H:13])([H:8])([H:9])[H:10],[C:1]([n:4]1[c:3](=[O:2])[c:7]([H:13])[c:6]([H:12])[n:5]1[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-7-4-2-3-5-6-4/h2-3H,1H3,(H,5,6)","InChI=1S/C4H6N2O/c1-6-4(7)2-3-5-6/h2-3,5H,1H3",56.07793,-2.5209099999999998,ketoenol
15880,[C:1]([O:2][c:3]1[n:4][n:5]([H:11])[c:6]([H:12])[c:7]1[H:13])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]1=[C+:7][C:6]([H:12])([H:13])[N:5]([H:11])[N-:4]1)([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-7-4-2-3-5-6-4/h2-3H,1H3,(H,5,6)","InChI=1S/C4H6N2O/c1-7-4-2-3-5-6-4/h5H,3H2,1H3",76.69046,75.85701,Singlet_Carbene_Intra_Disproportionation
15881,[C:1]([O:2][c:3]1[n:4][n:5]([H:11])[c:6]([H:12])[c:7]1[H:13])([H:8])([H:9])[H:10],[C:1]([O:2][C:7](=[C:3]=[N:4][N:5]([C:6][H:12])[H:11])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-7-4-2-3-5-6-4/h2-3H,1H3,(H,5,6)","InChI=1S/C4H6N2O/c1-5-6-3-4-7-2/h1,4-5H,2H3",146.17,103.69658000000001,
15882,[C:1]([O:2][c:3]1[n:4][n:5]([H:11])[c:6]([H:12])[c:7]1[H:13])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]1=[C:7]([H:13])[C:6]([H:11])([H:12])[N:5]=[N:4]1)([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-7-4-2-3-5-6-4/h2-3H,1H3,(H,5,6)","InChI=1S/C4H6N2O/c1-7-4-2-3-5-6-4/h2H,3H2,1H3",45.70255,28.60435,
15883,[C:1]([O:2][c:3]1[n:4][n:5]([H:11])[c:6]([H:12])[c:7]1[H:13])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]1=[N:4][N+:5]([H:11])([H:12])[C-:6]=[C:7]1[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-7-4-2-3-5-6-4/h2-3H,1H3,(H,5,6)","InChI=1S/C4H6N2O/c1-7-4-2-3-5-6-4/h2H,5H2,1H3",80.38713,65.93003,
15884,[C:1]([O:2][c:3]1[n:4][n:5]([H:11])[c:6]([H:12])[c:7]1[H:13])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]1=[N:4][C@:7]1(/[C:6](=[N:5]/[H:11])[H:12])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-7-4-2-3-5-6-4/h2-3H,1H3,(H,5,6)","InChI=1S/C4H6N2O/c1-7-4-3(2-5)6-4/h2-3,5H,1H3/b5-2+/t3-/m0/s1",68.96248,36.48229,
15885,[C:1]([O:2][c:3]1[n:4][n:5]([H:11])[c:6]([H:12])[c:7]1[H:13])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]1=[C:7]([H:13])[C@:6]1([N:5]([N:4])[H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-7-4-2-3-5-6-4/h2-3H,1H3,(H,5,6)","InChI=1S/C4H6N2O/c1-7-4-2-3(4)6-5/h2-3,6H,1H3/t3-/m1/s1",123.80546000000001,93.3968,
15886,[C:1]([O:2][c:3]1[n:4][n:5]([H:11])[c:6]([H:12])[c:7]1[H:13])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]1=[N:4][N:5]([H:11])[C:6][C:7]1([H:12])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-7-4-2-3-5-6-4/h2-3H,1H3,(H,5,6)","InChI=1S/C4H6N2O/c1-7-4-2-3-5-6-4/h5H,2H2,1H3",63.612880000000004,50.4539,Singlet_Carbene_Intra_Disproportionation
15887,[C:1]([O:2][c:3]1[n:4][n:5]([H:11])[c:6]([H:12])[c:7]1[H:13])([H:8])([H:9])[H:10],[C:1](=[O+:2][C:3]1=[N:4][N:5]([H:11])[C-:6]([H:12])[C:7]1([H:8])[H:13])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-7-4-2-3-5-6-4/h2-3H,1H3,(H,5,6)","InChI=1S/C4H6N2O/c1-7-4-2-3-5-6-4/h3,5H,1-2H2",86.97051,77.23385999999999,
15888,[C:1]([O:2][c:3]1[n:4][n:5]([H:11])[c:6]([H:12])[c:7]1[H:13])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]1=[C:7]=[C:6]([H:12])[N:5]([H:11])[N:4]1[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-7-4-2-3-5-6-4/h2-3H,1H3,(H,5,6)","InChI=1S/C4H6N2O/c1-7-4-2-3-5-6-4/h3,5-6H,1H3",100.18249,63.72193000000001,
15889,[C:1]([O:2][c:3]1[n:4][n:5]([H:11])[c:6]([H:12])[c:7]1[H:13])([H:8])([H:9])[H:10],[C:1]([O:2][C:3](/[N:4]=[N:5]/[H:11])=[C:7]=[C:6]([H:12])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-7-4-2-3-5-6-4/h2-3H,1H3,(H,5,6)","InChI=1S/C4H6N2O/c1-3-4(6-5)7-2/h5H,1H2,2H3/b6-5+",76.68791,64.2004,
15890,[C:1]([O:2][c:3]1[n:4][n:5]([H:11])[c:6]([H:12])[c:7]1[H:13])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]#[N+:4][N-:5][H:11])([H:8])([H:9])[H:10].[C:6](#[C:7][H:13])[H:12],"InChI=1S/C4H6N2O/c1-7-4-2-3-5-6-4/h2-3H,1H3,(H,5,6)","InChI=1S/C2H4N2O.C2H2/c1-5-2-4-3;1-2/h3H,1H3;1-2H",101.76091,103.03403,
15891,[C:1]([O:2][c:3]1[n:4][n:5]([H:11])[c:6]([H:12])[c:7]1[H:13])([H:8])([H:9])[H:10],[C:1]([O:2][C@@:3]1([H:13])[N-:4][N:5]([H:11])[C:6]([H:12])=[C+:7]1)([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-7-4-2-3-5-6-4/h2-3H,1H3,(H,5,6)","InChI=1S/C4H6N2O/c1-7-4-2-3-5-6-4/h3-5H,1H3/t4-/m1/s1",86.68609000000001,89.01585,
15892,[C:1]([O:2][c:3]1[n:4][n:5]([H:11])[c:6]([H:12])[c:7]1[H:13])([H:8])([H:9])[H:10],[C:1]([O:2][c:3]1[n:4]([H:11])[n:5][c:6]([H:12])[c:7]1[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-7-4-2-3-5-6-4/h2-3H,1H3,(H,5,6)","InChI=1S/C4H6N2O/c1-7-4-2-3-5-6-4/h2-3H,1H3,(H,5,6)",44.14535,4.67657,
15893,[C:1]([O:2][c:3]1[n:4][n:5]([H:11])[c:6]([H:12])[c:7]1[H:13])([H:8])([H:9])[H:10],[C:1](=[O:2])([H:8])[H:9].[c:3]1([H:10])[n:4][n:5]([H:11])[c:6]([H:12])[c:7]1[H:13],"InChI=1S/C4H6N2O/c1-7-4-2-3-5-6-4/h2-3H,1H3,(H,5,6)","InChI=1S/C3H4N2.CH2O/c1-2-4-5-3-1;1-2/h1-3H,(H,4,5);1H2",106.62042,12.48842,
15894,[C:1]([O:2][c:3]1[n:4][n:5]([H:11])[c:6]([H:12])[c:7]1[H:13])([H:8])([H:9])[H:10],[C:1]([O:2][N:4]=[C:3]=[C:7]([C:6](=[N:5][H:11])[H:12])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-7-4-2-3-5-6-4/h2-3H,1H3,(H,5,6)","InChI=1S/C4H6N2O/c1-7-6-4-2-3-5/h2-3,5H,1H3",92.80435,56.22354,
15895,[C:1]([O:2][c:3]1[n:4][n:5]([H:11])[c:6]([H:12])[c:7]1[H:13])([H:8])([H:9])[H:10],[C:1]([O:2][C:3]1(/[N:4]=[N:5]/[H:11])[C:6]([H:12])=[C:7]1[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H6N2O/c1-7-4-2-3-5-6-4/h2-3H,1H3,(H,5,6)","InChI=1S/C4H6N2O/c1-7-4(6-5)2-3-4/h2-3,5H,1H3/b6-5+",123.79527,81.03336999999999,
15896,[C:1]([C@:2]12[C:3]([H:11])([H:12])[C@@:4]1([H:13])[C:5](=[O:6])[O:7]2)([H:8])([H:9])[H:10],[C:1]([C@:2]1([C:3][H:12])[C:4]([H:11])([H:13])[C:5](=[O:6])[O:7]1)([H:8])([H:9])[H:10],"InChI=1S/C5H6O2/c1-5-2-3(5)4(6)7-5/h3H,2H2,1H3/t3-,5-/m0/s1","InChI=1S/C5H6O2/c1-5(2)3-4(6)7-5/h1H,3H2,2H3/t5-/m1/s1",62.36901999999999,64.73831,
15897,[C:1]([C@:2]12[C:3]([H:11])([H:12])[C@@:4]1([H:13])[C:5](=[O:6])[O:7]2)([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([C:4](=[C:5]=[O:6])[H:13])([H:11])[H:12])=[O:7])([H:8])([H:9])[H:10],"InChI=1S/C5H6O2/c1-5-2-3(5)4(6)7-5/h3H,2H2,1H3/t3-,5-/m0/s1","InChI=1S/C5H6O2/c1-5(7)3-2-4-6/h2H,3H2,1H3",15.60171,-11.95716,
15898,[C:1]([C@:2]12[C:3]([H:11])([H:12])[C@@:4]1([H:13])[C:5](=[O:6])[O:7]2)([H:8])([H:9])[H:10],[C:1]([O:6][C:5]1=[O+:7][C-:2]2[C:3]([H:11])([H:12])[C@:4]21[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H6O2/c1-5-2-3(5)4(6)7-5/h3H,2H2,1H3/t3-,5-/m0/s1","InChI=1S/C5H6O2/c1-6-5-3-2-4(3)7-5/h3H,2H2,1H3/t3-/m1/s1",115.71868,73.1046,
15899,[C:1]([C@:2]12[C:3]([H:11])([H:12])[C@@:4]1([H:13])[C:5](=[O:6])[O:7]2)([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]([H:11])[H:12])[O+:7]=[C:5]=[C:4]([O-:6])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H6O2/c1-5-2-3(5)4(6)7-5/h3H,2H2,1H3/t3-,5-/m0/s1","InChI=1S/C5H6O2/c1-5(2)7-4-3-6/h3H,1H2,2H3",82.38629,52.443630000000006,
15900,[C:1]([C@:2]12[C:3]([H:11])([H:12])[C@@:4]1([H:13])[C:5](=[O:6])[O:7]2)([H:8])([H:9])[H:10],[C:1]([C@:2]12[C:3]([H:11])([H:12])[C:4]1=[C:5]([O:6][H:13])[O:7]2)([H:8])([H:9])[H:10],"InChI=1S/C5H6O2/c1-5-2-3(5)4(6)7-5/h3H,2H2,1H3/t3-,5-/m0/s1","InChI=1S/C5H6O2/c1-5-2-3(5)4(6)7-5/h6H,2H2,1H3/t5-/m0/s1",84.92919,57.15691999999999,ketoenol
15901,[C:1]([C@:2]12[C:3]([H:11])([H:12])[C@@:4]1([H:13])[C:5](=[O:6])[O:7]2)([H:8])([H:9])[H:10],[C:1]([C@@:4]1([H:13])[C:3]([H:11])([H:12])[C-:2]=[O+:7][C:5]1=[O:6])([H:8])([H:9])[H:10],"InChI=1S/C5H6O2/c1-5-2-3(5)4(6)7-5/h3H,2H2,1H3/t3-,5-/m0/s1","InChI=1S/C5H6O2/c1-4-2-3-7-5(4)6/h4H,2H2,1H3/t4-/m0/s1",76.82437,22.011789999999998,
15902,[C:1]([C@:2]12[C:3]([H:11])([H:12])[C@@:4]1([H:13])[C:5](=[O:6])[O:7]2)([H:8])([H:9])[H:10],[C-:5]#[O+:6].[C:1]([C:2]([C:4](=[C:3]([H:11])[H:12])[H:13])=[O:7])([H:8])([H:9])[H:10],"InChI=1S/C5H6O2/c1-5-2-3(5)4(6)7-5/h3H,2H2,1H3/t3-,5-/m0/s1","InChI=1S/C4H6O.CO/c1-3-4(2)5;1-2/h3H,1H2,2H3;",42.38453,-12.037469999999999,
15903,[C:1]([C@:2]12[C:3]([H:11])([H:12])[C@@:4]1([H:13])[C:5](=[O:6])[O:7]2)([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:13])[C:3]([H:11])([H:12])[C+:4]=[C:5]([O-:6])[O:7]1)([H:8])([H:9])[H:10],"InChI=1S/C5H6O2/c1-5-2-3(5)4(6)7-5/h3H,2H2,1H3/t3-,5-/m0/s1","InChI=1S/C5H6O2/c1-4-2-3-5(6)7-4/h4H,2H2,1H3/t4-/m0/s1",62.93516999999999,51.41992,
15904,[C:1]([C@:2]12[C:3]([H:11])([H:12])[C@@:4]1([H:13])[C:5](=[O:6])[O:7]2)([H:8])([H:9])[H:10],[C:1]([C@:2]1([H:11])[C@:4]([C:3][H:12])([H:13])[C:5](=[O:6])[O:7]1)([H:8])([H:9])[H:10],"InChI=1S/C5H6O2/c1-5-2-3(5)4(6)7-5/h3H,2H2,1H3/t3-,5-/m0/s1","InChI=1S/C5H6O2/c1-3-4(2)7-5(3)6/h1,3-4H,2H3/t3-,4-/m1/s1",69.59082,72.59317,
15905,[C:1]([C@:2]12[C:3]([H:11])([H:12])[C@@:4]1([H:13])[C:5](=[O:6])[O:7]2)([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:4]([H:13])[C:3]1([H:11])[H:12])([H:8])([H:9])[H:10].[C:5](=[O:6])=[O:7],"InChI=1S/C5H6O2/c1-5-2-3(5)4(6)7-5/h3H,2H2,1H3/t3-,5-/m0/s1","InChI=1S/C4H6.CO2/c1-4-2-3-4;2-1-3/h2H,3H2,1H3;",33.885999999999996,0.74424,2+2_cycloaddition
15906,[C:1]([C@:2]12[C:3]([H:11])([H:12])[C@@:4]1([H:13])[C:5](=[O:6])[O:7]2)([H:8])([H:9])[H:10],[C:1]([C@@:2]1([C:4](=[C:5]=[O:6])[H:13])[C:3]([H:11])([H:12])[O:7]1)([H:8])([H:9])[H:10],"InChI=1S/C5H6O2/c1-5-2-3(5)4(6)7-5/h3H,2H2,1H3/t3-,5-/m0/s1","InChI=1S/C5H6O2/c1-5(2-3-6)4-7-5/h2H,4H2,1H3/t5-/m1/s1",63.43166,11.70895,
15907,[C:1]([C@:2]12[C:3]([H:11])([H:12])[C@@:4]1([H:13])[C:5](=[O:6])[O:7]2)([H:8])([H:9])[H:10],[C:1]([C:3]([C@:4]1([H:13])[C-:2]=[O+:7][C:5]1=[O:6])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H6O2/c1-5-2-3(5)4(6)7-5/h3H,2H2,1H3/t3-,5-/m0/s1","InChI=1S/C5H6O2/c1-2-4-3-7-5(4)6/h4H,2H2,1H3/t4-/m1/s1",82.61315,41.14982,
15908,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[O:6][C:7]1([H:16])[H:17])([H:9])[H:10])[H:8],[H:11][H:16].[O:1]([C:2]([C:3]1=[C:7]([H:17])[O:6][C:5]([H:14])([H:15])[C:4]1([H:12])[H:13])([H:9])[H:10])[H:8],"InChI=1S/C5H10O2/c6-3-5-1-2-7-4-5/h5-6H,1-4H2/t5-/m1/s1","InChI=1S/C5H8O2.H2/c6-3-5-1-2-7-4-5;/h4,6H,1-3H2;1H",95.2018,23.57558,
15909,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[O:6][C:7]1([H:16])[H:17])([H:9])[H:10])[H:8],[O:1]([C:2]([C@@:3]([C:4]([H:12])([H:13])[H:15])([C:7]([O+:6]=[C-:5][H:14])([H:16])[H:17])[H:11])([H:9])[H:10])[H:8],"InChI=1S/C5H10O2/c6-3-5-1-2-7-4-5/h5-6H,1-4H2/t5-/m1/s1","InChI=1S/C5H10O2/c1-5(3-6)4-7-2/h2,5-6H,3-4H2,1H3/t5-/m1/s1",72.86062,62.54283,
15910,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[O:6][C:7]1([H:16])[H:17])([H:9])[H:10])[H:8],[C:2]1([H:9])([H:10])[C@:3]2([H:11])[C@@:4]1([H:12])[C:5]([H:14])([H:15])[O:6][C:7]2([H:16])[H:17].[O:1]([H:8])[H:13],"InChI=1S/C5H10O2/c6-3-5-1-2-7-4-5/h5-6H,1-4H2/t5-/m1/s1","InChI=1S/C5H8O.H2O/c1-4-2-6-3-5(1)4;/h4-5H,1-3H2;1H2/t4-,5+;",79.78262,13.62018,
15911,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[O:6][C:7]1([H:16])[H:17])([H:9])[H:10])[H:8],[H:13][H:15].[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])=[C:5]([H:14])[O:6][C:7]1([H:16])[H:17])([H:9])[H:10])[H:8],"InChI=1S/C5H10O2/c6-3-5-1-2-7-4-5/h5-6H,1-4H2/t5-/m1/s1","InChI=1S/C5H8O2.H2/c6-3-5-1-2-7-4-5;/h1-2,5-6H,3-4H2;1H/t5-;/m1./s1",100.29334,24.62495,
15912,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[O:6][C:7]1([H:16])[H:17])([H:9])[H:10])[H:8],[O:1]([C:4]([C:5]([O:6][C:7]([C:3](=[C:2]([H:9])[H:10])[H:11])([H:16])[H:17])([H:14])[H:15])([H:12])[H:13])[H:8],"InChI=1S/C5H10O2/c6-3-5-1-2-7-4-5/h5-6H,1-4H2/t5-/m1/s1","InChI=1S/C5H10O2/c1-2-4-7-5-3-6/h2,6H,1,3-5H2",84.10738,15.86501,
15913,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[O:6][C:7]1([H:16])[H:17])([H:9])[H:10])[H:8],[C:4](=[C:5]([H:14])[H:15])([H:12])[H:13].[O:1]([C:2]([C:3]([C:7](=[O:6])[H:16])([H:11])[H:17])([H:9])[H:10])[H:8],"InChI=1S/C5H10O2/c6-3-5-1-2-7-4-5/h5-6H,1-4H2/t5-/m1/s1","InChI=1S/C3H6O2.C2H4/c4-2-1-3-5;1-2/h2,5H,1,3H2;1-2H2",71.66845,18.41437,
15914,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[O:6][C:7]1([H:16])[H:17])([H:9])[H:10])[H:8],[O:1]([C:2](/[C:3](=[C:4](/[C:5]([H:12])([H:14])[H:15])[H:13])[H:11])([H:9])[H:10])[H:8].[O:6]=[C:7]([H:16])[H:17],"InChI=1S/C5H10O2/c6-3-5-1-2-7-4-5/h5-6H,1-4H2/t5-/m1/s1","InChI=1S/C4H8O.CH2O/c1-2-3-4-5;1-2/h2-3,5H,4H2,1H3;1H2/b3-2+;",76.00838,21.24146,
15915,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[O:6][C:7]1([H:16])[H:17])([H:9])[H:10])[H:8],[C:3]1([H:9])([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[O:6][C:7]1([H:16])[H:17].[O:1]([C:2][H:10])[H:8],"InChI=1S/C5H10O2/c6-3-5-1-2-7-4-5/h5-6H,1-4H2/t5-/m1/s1",InChI=1S/C4H8O.CH2O/c1-2-4-5-3-1;1-2/h1-4H2;1-2H,71.88832,71.58442,
15916,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[O:6][C:7]1([H:16])[H:17])([H:9])[H:10])[H:8],[O:1](/[C:2](=[C:3](/[C:4]([C:5]([O:6][C:7]([H:9])([H:16])[H:17])([H:14])[H:15])([H:12])[H:13])[H:11])[H:10])[H:8],"InChI=1S/C5H10O2/c6-3-5-1-2-7-4-5/h5-6H,1-4H2/t5-/m1/s1","InChI=1S/C5H10O2/c1-7-5-3-2-4-6/h2,4,6H,3,5H2,1H3/b4-2+",82.21157,11.20562,
15917,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[O:6][C:7]1([H:16])[H:17])([H:9])[H:10])[H:8],[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C@:5]1([O:6][C:7]([H:14])([H:16])[H:17])[H:15])([H:9])[H:10])[H:8],"InChI=1S/C5H10O2/c6-3-5-1-2-7-4-5/h5-6H,1-4H2/t5-/m1/s1","InChI=1S/C5H10O2/c1-7-5-2-4(5)3-6/h4-6H,2-3H2,1H3/t4-,5-/m1/s1",111.37015,22.62995,
15918,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[O:6][C:7]1([H:16])[H:17])([H:9])[H:10])[H:8],[C:3]1([H:11])=[C:4]([H:12])[C:5]([H:14])([H:15])[O:6][C:7]1([H:16])[H:17].[H:8][H:13].[O:1]=[C:2]([H:9])[H:10],"InChI=1S/C5H10O2/c6-3-5-1-2-7-4-5/h5-6H,1-4H2/t5-/m1/s1","InChI=1S/C4H6O.CH2O.H2/c1-2-4-5-3-1;1-2;/h1-2H,3-4H2;1H2;1H",62.285309999999996,44.77248,
15919,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[O:6][C:7]1([H:16])[H:17])([H:9])[H:10])[H:8],[H:14][H:16].[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C-:5]([H:15])[O+:6]=[C:7]1[H:17])([H:9])[H:10])[H:8],"InChI=1S/C5H10O2/c6-3-5-1-2-7-4-5/h5-6H,1-4H2/t5-/m1/s1","InChI=1S/C5H8O2.H2/c6-3-5-1-2-7-4-5;/h2,4-6H,1,3H2;1H/t5-;/m1./s1",69.4455,70.83843,
15920,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[O:6][C:7]1([H:16])[H:17])([H:9])[H:10])[H:8],[C:4]([C:5](=[O:6])[H:15])([H:12])([H:13])[H:14].[O:1]([C:2]([C:3](=[C:7]([H:16])[H:17])[H:11])([H:9])[H:10])[H:8],"InChI=1S/C5H10O2/c6-3-5-1-2-7-4-5/h5-6H,1-4H2/t5-/m1/s1","InChI=1S/C3H6O.C2H4O/c1-2-3-4;1-2-3/h2,4H,1,3H2;2H,1H3",72.30561999999999,15.60074,
15921,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[O:6][C:7]1([H:16])[H:17])([H:9])[H:10])[H:8],[H:14][H:15].[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C-:5]=[O+:6][C:7]1([H:16])[H:17])([H:9])[H:10])[H:8],"InChI=1S/C5H10O2/c6-3-5-1-2-7-4-5/h5-6H,1-4H2/t5-/m1/s1","InChI=1S/C5H8O2.H2/c6-3-5-1-2-7-4-5;/h5-6H,1,3-4H2;1H/t5-;/m1./s1",72.48916,63.694269999999996,
15922,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[O:6][C:7]1([H:16])[H:17])([H:9])[H:10])[H:8],[O:1]([C:2]([C:3]([C:4]([C:5]([O:6][H:11])([H:14])[H:15])([H:12])[H:13])=[C:7]([H:16])[H:17])([H:9])[H:10])[H:8],"InChI=1S/C5H10O2/c6-3-5-1-2-7-4-5/h5-6H,1-4H2/t5-/m1/s1","InChI=1S/C5H10O2/c1-5(4-7)2-3-6/h6-7H,1-4H2",71.9056,3.1158099999999997,
15923,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[O:6][C:7]1([H:16])[H:17])([H:9])[H:10])[H:8],[O:1]([C:2]([C:3]([C:4]([C:5]([O+:6]=[C-:7][H:17])([H:14])[H:15])([H:12])[H:13])([H:11])[H:16])([H:9])[H:10])[H:8],"InChI=1S/C5H10O2/c6-3-5-1-2-7-4-5/h5-6H,1-4H2/t5-/m1/s1","InChI=1S/C5H10O2/c1-7-5-3-2-4-6/h1,6H,2-5H2",71.55346999999999,62.54009,
15924,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[O:6][C:7]1([H:16])[H:17])([H:9])[H:10])[H:8],[C:5](=[O:6])([H:14])[H:15].[O:1]([C:2]([C:7]([C:3](=[C:4]([H:12])[H:13])[H:11])([H:16])[H:17])([H:9])[H:10])[H:8],"InChI=1S/C5H10O2/c6-3-5-1-2-7-4-5/h5-6H,1-4H2/t5-/m1/s1","InChI=1S/C4H8O.CH2O/c1-2-3-4-5;1-2/h2,5H,1,3-4H2;1H2",83.43647,22.69686,
15925,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[O:6][C:7]1([H:16])[H:17])([H:9])[H:10])[H:8],[H:9][H:17].[O:1]([C@@:2]1([H:10])[C@@:3]2([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[O:6][C@@:7]12[H:16])[H:8],"InChI=1S/C5H10O2/c6-3-5-1-2-7-4-5/h5-6H,1-4H2/t5-/m1/s1","InChI=1S/C5H8O2.H2/c6-4-3-1-2-7-5(3)4;/h3-6H,1-2H2;1H/t3-,4+,5-;/m1./s1",85.94558,33.29596,
15926,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[O:6][C:7]1([H:16])[H:17])([H:9])[H:10])[H:8],[O:1]([C:3]1([H:11])[C:2]([H:9])([H:10])[C:7]([H:16])([H:17])[O:6][C:5]([H:14])([H:15])[C:4]1([H:12])[H:13])[H:8],"InChI=1S/C5H10O2/c6-3-5-1-2-7-4-5/h5-6H,1-4H2/t5-/m1/s1","InChI=1S/C5H10O2/c6-5-1-3-7-4-2-5/h5-6H,1-4H2",80.02454,-7.6521,
15927,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[O:6][C:7]1([H:16])[H:17])([H:9])[H:10])[H:8],[H:8][H:9].[O:1]=[C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[O:6][C:7]1([H:16])[H:17])[H:10],"InChI=1S/C5H10O2/c6-3-5-1-2-7-4-5/h5-6H,1-4H2/t5-/m1/s1","InChI=1S/C5H8O2.H2/c6-3-5-1-2-7-4-5;/h3,5H,1-2,4H2;1H/t5-;/m1./s1",79.75896,17.77305,
15928,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[O:6][C:7]1([H:16])[H:17])([H:9])[H:10])[H:8],[C:2]([H:9])[H:10].[O:1]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[O:6][C:7]1([H:16])[H:17])[H:8],"InChI=1S/C5H10O2/c6-3-5-1-2-7-4-5/h5-6H,1-4H2/t5-/m1/s1","InChI=1S/C4H8O2.CH2/c5-4-1-2-6-3-4;/h4-5H,1-3H2;1H2/t4-;/m0./s1",111.64437,114.01635,
15929,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[O:6][C:7]1([H:16])[H:17])([H:9])[H:10])[H:8],[C:2](=[C:3]1[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[O:6][C:7]1([H:16])[H:17])([H:9])[H:10].[O:1]([H:8])[H:11],"InChI=1S/C5H10O2/c6-3-5-1-2-7-4-5/h5-6H,1-4H2/t5-/m1/s1",InChI=1S/C5H8O.H2O/c1-5-2-3-6-4-5;/h1-4H2;1H2,62.22586,8.31023,"1,3_Insertion_ROR"
15930,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[O:6][C:7]1([H:16])[H:17])([H:9])[H:10])[H:8],[O-:1][C:2]([C@@:3]([C:4]([H:8])([H:12])[H:13])([C:7]([O+:6]=[C:5]([H:14])[H:15])([H:16])[H:17])[H:11])([H:9])[H:10],"InChI=1S/C5H10O2/c6-3-5-1-2-7-4-5/h5-6H,1-4H2/t5-/m1/s1","InChI=1S/C5H10O2/c1-5(3-6)4-7-2/h5H,2-4H2,1H3/t5-/m1/s1",78.80024,72.59931999999999,
15931,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[O:6][C:7]1([H:16])[H:17])([H:9])[H:10])[H:8],[H:16][H:17].[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]([H:14])([H:15])[O+:6]=[C-:7]1)([H:9])[H:10])[H:8],"InChI=1S/C5H10O2/c6-3-5-1-2-7-4-5/h5-6H,1-4H2/t5-/m1/s1","InChI=1S/C5H8O2.H2/c6-3-5-1-2-7-4-5;/h5-6H,1-3H2;1H/t5-;/m1./s1",71.25587,63.84856,
15932,[O:1]=[C:2]1[O:3][C:4]([H:8])([H:9])[C@@:5]12[C:6]([H:10])([H:11])[O:7]2,[O:1]=[C:2]([C:5]1([C:4](=[O:3])[H:9])[C:6]([H:10])([H:11])[O:7]1)[H:8],InChI=1S/C4H4O3/c5-3-4(1-6-3)2-7-4/h1-2H2/t4-/m1/s1,"InChI=1S/C4H4O3/c5-1-4(2-6)3-7-4/h1-2H,3H2",62.499759999999995,4.533519999999999,
15933,[O:1]=[C:2]1[O:3][C:4]([H:8])([H:9])[C@@:5]12[C:6]([H:10])([H:11])[O:7]2,[C:4](=[C:5]1[C:6]([H:10])([H:11])[O:7]1)([H:8])[H:9].[O:1]=[C:2]=[O:3],InChI=1S/C4H4O3/c5-3-4(1-6-3)2-7-4/h1-2H2/t4-/m1/s1,InChI=1S/C3H4O.CO2/c1-3-2-4-3;2-1-3/h1-2H2;,37.42416,-14.79892,2+2_cycloaddition
15934,[O:1]=[C:2]1[O:3][C:4]([H:8])([H:9])[C@@:5]12[C:6]([H:10])([H:11])[O:7]2,[O:1]=[C:2]1[O:3][C:4]([H:8])([H:9])[C@@:5]1([O+:7]=[C-:6][H:10])[H:11],InChI=1S/C4H4O3/c5-3-4(1-6-3)2-7-4/h1-2H2/t4-/m1/s1,"InChI=1S/C4H4O3/c1-6-3-2-7-4(3)5/h1,3H,2H2/t3-/m0/s1",77.72565,50.74763,
15935,[O:1]=[C:2]1[O:3][C:4]([H:8])([H:9])[C@@:5]12[C:6]([H:10])([H:11])[O:7]2,[O:1]([C:2]1=[O+:3][C-:4]([H:9])[C@@:5]12[C:6]([H:10])([H:11])[O:7]2)[H:8],InChI=1S/C4H4O3/c5-3-4(1-6-3)2-7-4/h1-2H2/t4-/m1/s1,"InChI=1S/C4H4O3/c5-3-4(1-6-3)2-7-4/h1,5H,2H2/t4-/m1/s1",106.84356000000001,74.32996999999999,
15936,[O:1]=[C:2]1[O:3][C:4]([H:8])([H:9])[C@@:5]12[C:6]([H:10])([H:11])[O:7]2,[O+:1]#[C-:2].[O:3]=[C:4]([C@@:5]1([H:8])[C:6]([H:10])([H:11])[O:7]1)[H:9],InChI=1S/C4H4O3/c5-3-4(1-6-3)2-7-4/h1-2H2/t4-/m1/s1,"InChI=1S/C3H4O2.CO/c4-1-3-2-5-3;1-2/h1,3H,2H2;/t3-;/m0./s1",63.942119999999996,5.772869999999999,
15937,[O:1]=[C:2]1[O:3][C:4]([H:8])([H:9])[C@@:5]12[C:6]([H:10])([H:11])[O:7]2,[O:1]=[C:2]=[C:5]1[C:6]([H:10])([H:11])[O:7]1.[O:3]=[C:4]([H:8])[H:9],InChI=1S/C4H4O3/c5-3-4(1-6-3)2-7-4/h1-2H2/t4-/m1/s1,InChI=1S/C3H2O2.CH2O/c4-1-3-2-5-3;1-2/h2H2;1H2,49.17842,49.23511,2+2_cycloaddition
15938,[O:1]=[C:2]1[O:3][C:4]([H:8])([H:9])[C@@:5]12[C:6]([H:10])([H:11])[O:7]2,[O-:1][C:2]1=[C:5]([O+:7]=[C:6]([H:10])[H:11])[C:4]([H:8])([H:9])[O:3]1,InChI=1S/C4H4O3/c5-3-4(1-6-3)2-7-4/h1-2H2/t4-/m1/s1,InChI=1S/C4H4O3/c1-6-3-2-7-4(3)5/h1-2H2,45.98703,31.17411,
15939,[O:1]=[C:2]1[O:3][C:4]([H:8])([H:9])[C@@:5]12[C:6]([H:10])([H:11])[O:7]2,[O:1]=[C:2]1[O:3][C:4]([H:8])([H:9])[C-:5]=[O+:7][C:6]1([H:10])[H:11],InChI=1S/C4H4O3/c5-3-4(1-6-3)2-7-4/h1-2H2/t4-/m1/s1,InChI=1S/C4H4O3/c5-4-3-6-1-2-7-4/h2-3H2,69.66734,25.99127,
15940,[O:1]=[C:2]1[O:3][C:4]([H:8])([H:9])[C@@:5]12[C:6]([H:10])([H:11])[O:7]2,[O:1]1[C:2](=[O:3])[C@@:5]2([C:4]([H:8])([H:9])[H:11])[C@:6]1([H:10])[O:7]2,InChI=1S/C4H4O3/c5-3-4(1-6-3)2-7-4/h1-2H2/t4-/m1/s1,"InChI=1S/C4H4O3/c1-4-2(5)6-3(4)7-4/h3H,1H3/t3-,4-/m0/s1",79.88645,3.1968,
15941,[O:1]=[C:2]1[O:3][C:4]([H:8])([H:9])[C@@:5]12[C:6]([H:10])([H:11])[O:7]2,[O:1]=[C:2]([O+:3]=[C-:4][H:8])[C@@:5]1([H:9])[C:6]([H:10])([H:11])[O:7]1,InChI=1S/C4H4O3/c5-3-4(1-6-3)2-7-4/h1-2H2/t4-/m1/s1,"InChI=1S/C4H4O3/c1-6-4(5)3-2-7-3/h1,3H,2H2/t3-/m1/s1",73.21793000000001,62.450230000000005,
15942,[O:1]=[C:2]1[O:3][C:4]([H:8])([H:9])[C@@:5]12[C:6]([H:10])([H:11])[O:7]2,[O:1]=[C:2]1[O:3][C:5]12[C:4]([H:8])([H:9])[O:7][C:6]2([H:10])[H:11],InChI=1S/C4H4O3/c5-3-4(1-6-3)2-7-4/h1-2H2/t4-/m1/s1,InChI=1S/C4H4O3/c5-3-4(7-3)1-6-2-4/h1-2H2,52.59948000000001,14.04924,
15943,[O:1]=[C:2]1[O:3][C:4]([H:8])([H:9])[C@@:5]12[C:6]([H:10])([H:11])[O:7]2,[O:1]=[C:2]1[O:3][C:4]([H:8])([H:9])[C@:5]1([C:6][H:10])[O:7][H:11],InChI=1S/C4H4O3/c5-3-4(1-6-3)2-7-4/h1-2H2/t4-/m1/s1,"InChI=1S/C4H4O3/c1-4(6)2-7-3(4)5/h1,6H,2H2/t4-/m0/s1",69.15096,67.84944,
15944,[O:1]=[C:2]1[O:3][C:4]([H:8])([H:9])[C@@:5]12[C:6]([H:10])([H:11])[O:7]2,[O:1]1[C:2]2=[C:5]([C:4]([H:8])([H:9])[O:3]2)[O:7][C:6]1([H:10])[H:11],InChI=1S/C4H4O3/c5-3-4(1-6-3)2-7-4/h1-2H2/t4-/m1/s1,InChI=1S/C4H4O3/c1-3-4(5-1)7-2-6-3/h1-2H2,64.08444,53.75164,ketoenol
15945,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C@:5]1([C:6]#[C:7][H:15])[H:14])([H:9])[H:10])[H:8],[O:1]([C:2](/[C:3](=[C:4](\[C:5](=[C:6]=[C:7]([H:13])[H:15])[H:14])[H:12])[H:11])([H:9])[H:10])[H:8],"InChI=1S/C6H8O/c1-2-5-3-6(5)4-7/h1,5-7H,3-4H2/t5-,6-/m1/s1","InChI=1S/C6H8O/c1-2-3-4-5-6-7/h3-5,7H,1,6H2/b5-4-",82.92702,-11.568539999999999,
15946,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C@:5]1([C:6]#[C:7][H:15])[H:14])([H:9])[H:10])[H:8],[O:1]1[C:2]([H:9])([H:10])[C@@:3]2([H:11])[C:4]([H:12])([H:13])[C@@:5]2([H:14])[C:6]1=[C:7]([H:8])[H:15],"InChI=1S/C6H8O/c1-2-5-3-6(5)4-7/h1,5-7H,3-4H2/t5-,6-/m1/s1","InChI=1S/C6H8O/c1-4-6-2-5(6)3-7-4/h5-6H,1-3H2/t5-,6+/m1/s1",51.15847,-26.56989,
15947,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C@:5]1([C:6]#[C:7][H:15])[H:14])([H:9])[H:10])[H:8],[O:1]([C:4]([C@:5]([C:3](=[C:2]([H:9])[H:10])[H:11])([C:6]#[C:7][H:15])[H:14])([H:12])[H:13])[H:8],"InChI=1S/C6H8O/c1-2-5-3-6(5)4-7/h1,5-7H,3-4H2/t5-,6-/m1/s1","InChI=1S/C6H8O/c1-3-6(4-2)5-7/h1,4,6-7H,2,5H2/t6-/m0/s1",70.23655,-1.9505099999999997,
15948,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C@:5]1([C:6]#[C:7][H:15])[H:14])([H:9])[H:10])[H:8],[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:5]1=[C:6]=[C:7]([H:14])[H:15])([H:9])[H:10])[H:8],"InChI=1S/C6H8O/c1-2-5-3-6(5)4-7/h1,5-7H,3-4H2/t5-,6-/m1/s1","InChI=1S/C6H8O/c1-2-5-3-6(5)4-7/h6-7H,1,3-4H2/t6-/m1/s1",89.0958,1.84706,
15949,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C@:5]1([C:6]#[C:7][H:15])[H:14])([H:9])[H:10])[H:8],[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:7]([H:15])=[C:6]=[C:5]1[H:14])([H:9])[H:10])[H:8],"InChI=1S/C6H8O/c1-2-5-3-6(5)4-7/h1,5-7H,3-4H2/t5-,6-/m1/s1","InChI=1S/C6H8O/c7-5-6-3-1-2-4-6/h1,4,6-7H,3,5H2/t6-/m0/s1",70.99086,27.2431,
15950,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C@:5]1([C:6]#[C:7][H:15])[H:14])([H:9])[H:10])[H:8],[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])/[C:5]1=[C:6](\[C:7][H:15])[H:14])([H:9])[H:10])[H:8],"InChI=1S/C6H8O/c1-2-5-3-6(5)4-7/h1,5-7H,3-4H2/t5-,6-/m1/s1","InChI=1S/C6H8O/c1-2-5-3-6(5)4-7/h1-2,6-7H,3-4H2/b5-2+/t6-/m1/s1",75.35495,69.17976999999999,
15951,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C@:5]1([C:6]#[C:7][H:15])[H:14])([H:9])[H:10])[H:8],[O:1]([C:2]([C:3]([C:4]([C-:5]=[C:6]=[C+:7][H:15])([H:12])[H:13])([H:11])[H:14])([H:9])[H:10])[H:8],"InChI=1S/C6H8O/c1-2-5-3-6(5)4-7/h1,5-7H,3-4H2/t5-,6-/m1/s1","InChI=1S/C6H8O/c1-2-3-4-5-6-7/h1,7H,4-6H2",61.57479,55.329809999999995,
15952,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C@:5]1([C:6]#[C:7][H:15])[H:14])([H:9])[H:10])[H:8],[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C@:5]1([C:7](=[C:6])[H:15])[H:14])([H:9])[H:10])[H:8],"InChI=1S/C6H8O/c1-2-5-3-6(5)4-7/h1,5-7H,3-4H2/t5-,6-/m1/s1","InChI=1S/C6H8O/c1-2-5-3-6(5)4-7/h2,5-7H,3-4H2/t5-,6-/m1/s1",58.67416,49.18958,Singlet_Carbene_Intra_Disproportionation
15953,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C@:5]1([C:6]#[C:7][H:15])[H:14])([H:9])[H:10])[H:8],[C:2](=[C:3]1[C:4]([H:12])([H:13])[C@:5]1([C:6]#[C:7][H:15])[H:14])([H:9])[H:10].[O:1]([H:8])[H:11],"InChI=1S/C6H8O/c1-2-5-3-6(5)4-7/h1,5-7H,3-4H2/t5-,6-/m1/s1","InChI=1S/C6H6.H2O/c1-3-6-4-5(6)2;/h1,6H,2,4H2;1H2/t6-;/m1./s1",67.36669,21.77561,"1,3_Insertion_ROR"
15954,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C@:5]1([C:6]#[C:7][H:15])[H:14])([H:9])[H:10])[H:8],[O:1]1[C:2]([H:9])([H:10])[C@:3]1([C:4]([C:5](=[C:6]=[C:7]([H:8])[H:15])[H:14])([H:12])[H:13])[H:11],"InChI=1S/C6H8O/c1-2-5-3-6(5)4-7/h1,5-7H,3-4H2/t5-,6-/m1/s1","InChI=1S/C6H8O/c1-2-3-4-6-5-7-6/h3,6H,1,4-5H2/t6-/m1/s1",53.07018000000001,3.40594,
15955,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C@:5]1([C:6]#[C:7][H:15])[H:14])([H:9])[H:10])[H:8],[O:1](/[C:2](=[C:3](/[C:4]([C:5](=[C:6]=[C:7]([H:9])[H:15])[H:14])([H:12])[H:13])[H:11])[H:10])[H:8],"InChI=1S/C6H8O/c1-2-5-3-6(5)4-7/h1,5-7H,3-4H2/t5-,6-/m1/s1","InChI=1S/C6H8O/c1-2-3-4-5-6-7/h3,5-7H,1,4H2/b6-5+",30.56472,-14.10795,
15956,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C@:5]1([C:6]#[C:7][H:15])[H:14])([H:9])[H:10])[H:8],[C:3]1([H:9])([H:11])[C:4]([H:12])([H:13])[C:5]1([C:6]#[C:7][H:15])[H:14].[O:1]([C:2][H:10])[H:8],"InChI=1S/C6H8O/c1-2-5-3-6(5)4-7/h1,5-7H,3-4H2/t5-,6-/m1/s1","InChI=1S/C5H6.CH2O/c1-2-5-3-4-5;1-2/h1,5H,3-4H2;1-2H",74.03753,75.21947,
15957,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C@:5]1([C:6]#[C:7][H:15])[H:14])([H:9])[H:10])[H:8],[H:11][H:14].[O:1]([C:2]([C:3]1=[C:5]([C:6]#[C:7][H:15])[C:4]1([H:12])[H:13])([H:9])[H:10])[H:8],"InChI=1S/C6H8O/c1-2-5-3-6(5)4-7/h1,5-7H,3-4H2/t5-,6-/m1/s1","InChI=1S/C6H6O.H2/c1-2-5-3-6(5)4-7;/h1,7H,3-4H2;1H",106.06851999999999,47.18087,
15958,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C@:5]1([C:6]#[C:7][H:15])[H:14])([H:9])[H:10])[H:8],[C@@:3]12([H:11])[C:4]([H:12])([H:13])[C@:5]1([H:14])[C:6]2=[C:7]([H:8])[H:15].[O:1]=[C:2]([H:9])[H:10],"InChI=1S/C6H8O/c1-2-5-3-6(5)4-7/h1,5-7H,3-4H2/t5-,6-/m1/s1","InChI=1S/C5H6.CH2O/c1-3-4-2-5(3)4;1-2/h4-5H,1-2H2;1H2/t4-,5+;",51.21083,26.87629,
15959,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C@:5]1([C:6]#[C:7][H:15])[H:14])([H:9])[H:10])[H:8],[O:1]([C:7](=[C:6]=[C:5]([C:4]([C:3](=[C:2]([H:9])[H:10])[H:11])([H:12])[H:13])[H:14])[H:15])[H:8],"InChI=1S/C6H8O/c1-2-5-3-6(5)4-7/h1,5-7H,3-4H2/t5-,6-/m1/s1","InChI=1S/C6H8O/c1-2-3-4-5-6-7/h2,4,6-7H,1,3H2",56.775969999999994,-10.68829,
15960,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C@:5]1([C:6]#[C:7][H:15])[H:14])([H:9])[H:10])[H:8],[O:1]([C@@:3]1([H:11])[C:2]([H:9])([H:10])[C:4]([H:12])([H:13])[C@:5]1([C:6]#[C:7][H:15])[H:14])[H:8],"InChI=1S/C6H8O/c1-2-5-3-6(5)4-7/h1,5-7H,3-4H2/t5-,6-/m1/s1","InChI=1S/C6H8O/c1-2-5-3-4-6(5)7/h1,5-7H,3-4H2/t5-,6+/m1/s1",78.72314,-3.7457800000000003,
15961,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C@:5]1([C:6]#[C:7][H:15])[H:14])([H:9])[H:10])[H:8],[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C:6](=[C-:7][H:15])[C+:5]1[H:14])([H:9])[H:10])[H:8],"InChI=1S/C6H8O/c1-2-5-3-6(5)4-7/h1,5-7H,3-4H2/t5-,6-/m1/s1","InChI=1S/C6H8O/c1-5-2-6(3-5)4-7/h1-2,6-7H,3-4H2/t6-/m1/s1",61.38737,62.578880000000005,
15962,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C@:5]1([C:6]#[C:7][H:15])[H:14])([H:9])[H:10])[H:8],[O:1]([C:2]([C@@:3]([C:4]([H:12])([H:13])[H:14])([C-:5]=[C:6]=[C+:7][H:15])[H:11])([H:9])[H:10])[H:8],"InChI=1S/C6H8O/c1-2-5-3-6(5)4-7/h1,5-7H,3-4H2/t5-,6-/m1/s1","InChI=1S/C6H8O/c1-3-4-6(2)5-7/h1,6-7H,5H2,2H3/t6-/m0/s1",61.60329,51.42276,
15963,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C@:5]1([C:6]#[C:7][H:15])[H:14])([H:9])[H:10])[H:8],[H:8][H:11].[O:1]=[C:2]([C@:3]1([H:9])[C:4]([H:12])([H:13])[C@:5]1([C:6]#[C:7][H:15])[H:14])[H:10],"InChI=1S/C6H8O/c1-2-5-3-6(5)4-7/h1,5-7H,3-4H2/t5-,6-/m1/s1","InChI=1S/C6H6O.H2/c1-2-5-3-6(5)4-7;/h1,4-6H,3H2;1H/t5-,6+;/m1./s1",88.44752,16.74671,
15964,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C@:5]1([C:6]#[C:7][H:15])[H:14])([H:9])[H:10])[H:8],[O:1]([C:2]([C@:7]1([H:15])[C@@:3]2([H:11])[C:4]([H:12])([H:13])[C@@:5]2([H:14])[C:6]1)([H:9])[H:10])[H:8],"InChI=1S/C6H8O/c1-2-5-3-6(5)4-7/h1,5-7H,3-4H2/t5-,6-/m1/s1","InChI=1S/C6H8O/c7-3-5-1-4-2-6(4)5/h4-7H,2-3H2/t4-,5-,6+/m1/s1",122.18251000000001,45.00687,
15965,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C@:5]1([C:6]#[C:7][H:15])[H:14])([H:9])[H:10])[H:8],[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C+:5]([H:14])[C:6]1=[C-:7][H:15])([H:9])[H:10])[H:8],"InChI=1S/C6H8O/c1-2-5-3-6(5)4-7/h1,5-7H,3-4H2/t5-,6-/m1/s1","InChI=1S/C6H8O/c1-5-2-3-6(5)4-7/h1-2,6-7H,3-4H2/t6-/m1/s1",57.43258,57.43001999999999,
15966,[O:1]([C:2]([C@@:3]1([H:11])[C:4]([H:12])([H:13])[C@:5]1([C:6]#[C:7][H:15])[H:14])([H:9])[H:10])[H:8],[O:1]([C:2]([C@@:3]1([H:11])[C@:4]2([H:12])[C@@:5]1([H:14])[C:6]2=[C:7]([H:13])[H:15])([H:9])[H:10])[H:8],"InChI=1S/C6H8O/c1-2-5-3-6(5)4-7/h1,5-7H,3-4H2/t5-,6-/m1/s1","InChI=1S/C6H8O/c1-3-5-4(2-7)6(3)5/h4-7H,1-2H2/t4-,5+,6-",82.93374,8.0577,
15967,[C:1]([C:2]([C@@:3]([C:4]([H:14])([H:15])[H:16])([C:5]([C:6]([H:18])([H:19])[H:20])([C:7]([H:21])([H:22])[H:23])[H:17])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](=[C:2]([C@@:3]([C:4]([H:14])([H:15])[H:16])([C:5]([C:6]([H:18])([H:19])[H:20])([C:7]([H:21])([H:22])[H:23])[H:17])[H:13])[H:11])([H:8])[H:10].[H:9][H:12],"InChI=1S/C7H16/c1-5-7(4)6(2)3/h6-7H,5H2,1-4H3/t7-/m1/s1","InChI=1S/C7H14.H2/c1-5-7(4)6(2)3;/h5-7H,1H2,2-4H3;1H/t7-;/m1./s1",110.3931,31.08976,
15968,[C:1]([C:2]([C@@:3]([C:4]([H:14])([H:15])[H:16])([C:5]([C:6]([H:18])([H:19])[H:20])([C:7]([H:21])([H:22])[H:23])[H:17])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:3]([C:4]([H:14])([H:15])[H:16])([C:5][C:7]([H:21])([H:22])[H:23])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10].[C:6]([H:17])([H:18])([H:19])[H:20],"InChI=1S/C7H16/c1-5-7(4)6(2)3/h6-7H,5H2,1-4H3/t7-/m1/s1","InChI=1S/C6H12.CH4/c1-4-6(3)5-2;/h6H,4H2,1-3H3;1H4/t6-;/m1./s1",83.7304,90.40723,
15969,[C:1]([C:2]([C@@:3]([C:4]([H:14])([H:15])[H:16])([C:5]([C:6]([H:18])([H:19])[H:20])([C:7]([H:21])([H:22])[H:23])[H:17])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:3]([C:4]([H:14])([H:15])[H:16])([C:5](=[C:6]([H:19])[H:20])[C:7]([H:21])([H:22])[H:23])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10].[H:17][H:18],"InChI=1S/C7H16/c1-5-7(4)6(2)3/h6-7H,5H2,1-4H3/t7-/m1/s1","InChI=1S/C7H14.H2/c1-5-7(4)6(2)3;/h7H,2,5H2,1,3-4H3;1H/t7-;/m1./s1",102.8896,27.31167,
15970,[C:1]([C:2]([C@@:3]([C:4]([H:14])([H:15])[H:16])([C:5]([C:6]([H:18])([H:19])[H:20])([C:7]([H:21])([H:22])[H:23])[H:17])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3](=[C:5]([C:6]([H:18])([H:19])[H:20])[C:7]([H:21])([H:22])[H:23])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10].[C:4]([H:14])([H:15])([H:16])[H:17],"InChI=1S/C7H16/c1-5-7(4)6(2)3/h6-7H,5H2,1-4H3/t7-/m1/s1","InChI=1S/C6H12.CH4/c1-4-5-6(2)3;/h5H,4H2,1-3H3;1H4",88.1572,11.78016,
15971,[C:1]([C:2]([C@@:3]([C:4]([H:14])([H:15])[H:16])([C:5]([C:6]([H:18])([H:19])[H:20])([C:7]([H:21])([H:22])[H:23])[H:17])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3][C:5]([C:6]([H:18])([H:19])[H:20])([C:7]([H:21])([H:22])[H:23])[H:17])([H:11])[H:12])([H:8])([H:9])[H:10].[C:4]([H:13])([H:14])([H:15])[H:16],"InChI=1S/C7H16/c1-5-7(4)6(2)3/h6-7H,5H2,1-4H3/t7-/m1/s1","InChI=1S/C6H12.CH4/c1-4-5-6(2)3;/h6H,4H2,1-3H3;1H4",84.13622,92.29538000000001,
15972,[C:1]([C:2]([C@@:3]([C:4]([H:14])([H:15])[H:16])([C:5]([C:6]([H:18])([H:19])[H:20])([C:7]([H:21])([H:22])[H:23])[H:17])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](=[C:2]([H:11])[H:12])([H:8])[H:10].[C:3](=[C:4]([H:14])[H:16])([C:5]([C:6]([H:18])([H:19])[H:20])([C:7]([H:21])([H:22])[H:23])[H:17])[H:13].[H:9][H:15],"InChI=1S/C7H16/c1-5-7(4)6(2)3/h6-7H,5H2,1-4H3/t7-/m1/s1","InChI=1S/C5H10.C2H4.H2/c1-4-5(2)3;1-2;/h4-5H,1H2,2-3H3;1-2H2;1H",76.95848000000001,52.78695,
15973,[C:1]([C:2]([C@@:3]([C:4]([H:14])([H:15])[H:16])([C:5]([C:6]([H:18])([H:19])[H:20])([C:7]([H:21])([H:22])[H:23])[H:17])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3](=[C:4]([H:14])[H:16])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10].[C:5]([C:6]([H:18])([H:19])[H:20])(=[C:7]([H:22])[H:23])[H:17].[H:15][H:21],"InChI=1S/C7H16/c1-5-7(4)6(2)3/h6-7H,5H2,1-4H3/t7-/m1/s1","InChI=1S/C4H8.C3H6.H2/c1-3-4-2;1-3-2;/h3H,1,4H2,2H3;3H,1H2,2H3;1H",77.87246,50.18177,
15974,[C:1]([C:2]([C@@:3]([C:4]([H:14])([H:15])[H:16])([C:5]([C:6]([H:18])([H:19])[H:20])([C:7]([H:21])([H:22])[H:23])[H:17])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2](/[C:3]([C:4]([H:14])([H:15])[H:16])=[C:5](\[C:7]([H:21])([H:22])[H:23])[H:17])([H:11])[H:12])([H:8])([H:9])[H:10].[C:6]([H:13])([H:18])([H:19])[H:20],"InChI=1S/C7H16/c1-5-7(4)6(2)3/h6-7H,5H2,1-4H3/t7-/m1/s1","InChI=1S/C6H12.CH4/c1-4-6(3)5-2;/h4H,5H2,1-3H3;1H4/b6-4-;",89.85279,12.03744,
15975,[C:1]([C:2]([C@@:3]([C:4]([H:14])([H:15])[H:16])([C:5]([C:6]([H:18])([H:19])[H:20])([C:7]([H:21])([H:22])[H:23])[H:17])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:3](/[C:4]([H:14])([H:15])[H:16])[H:13])[H:11])([H:8])([H:9])[H:10].[C:5](=[C:6]([H:19])[H:20])([C:7]([H:21])([H:22])[H:23])[H:17].[H:12][H:18],"InChI=1S/C7H16/c1-5-7(4)6(2)3/h6-7H,5H2,1-4H3/t7-/m1/s1","InChI=1S/C4H8.C3H6.H2/c1-3-4-2;1-3-2;/h3-4H,1-2H3;3H,1H2,2H3;1H/b4-3+;;",75.87926999999999,46.792429999999996,
15976,[C:1]([C:2]([C@@:3]([C:4]([H:14])([H:15])[H:16])([C:5]([C:6]([H:18])([H:19])[H:20])([C:7]([H:21])([H:22])[H:23])[H:17])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:18].[C:2](=[C:3]([C:4]([H:14])([H:15])[H:16])[H:13])([H:11])[H:12].[C:5](=[C:6]([H:19])[H:20])([C:7]([H:21])([H:22])[H:23])[H:17],"InChI=1S/C7H16/c1-5-7(4)6(2)3/h6-7H,5H2,1-4H3/t7-/m1/s1","InChI=1S/2C3H6.CH4/c2*1-3-2;/h2*3H,1H2,2H3;1H4",96.95723000000001,35.9447,
15977,[C:1]([c:2]1[c:3]([H:11])[o:4][c:5]([N:6]([H:12])[H:13])[c:7]1[H:14])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C-:3]=[O+:4][C:5]([N:6]([H:12])[H:13])=[C:7]1[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-5(6)7-3-4/h2-3H,6H2,1H3","InChI=1S/C5H7NO/c1-4-2-5(6)7-3-4/h2,4H,6H2,1H3/t4-/m1/s1",60.9301,58.80276,Singlet_Carbene_Intra_Disproportionation
15978,[C:1]([c:2]1[c:3]([H:11])[o:4][c:5]([N:6]([H:12])[H:13])[c:7]1[H:14])([H:8])([H:9])[H:10],[C:1]([C:3](=[C:2]=[C:7]([C:5](=[O:4])[N:6]([H:12])[H:13])[H:14])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-5(6)7-3-4/h2-3H,6H2,1H3","InChI=1S/C5H7NO/c1-2-3-4-5(6)7/h2,4H,1H3,(H2,6,7)",69.38688,8.53016,
15979,[C:1]([c:2]1[c:3]([H:11])[o:4][c:5]([N:6]([H:12])[H:13])[c:7]1[H:14])([H:8])([H:9])[H:10],[C:1]1([H:9])([H:10])[C:2](=[C:7]([C:5](=[O:4])[N:6]([H:12])[H:13])[H:14])[C:3]1([H:8])[H:11],"InChI=1S/C5H7NO/c1-4-2-5(6)7-3-4/h2-3H,6H2,1H3","InChI=1S/C5H7NO/c6-5(7)3-4-1-2-4/h3H,1-2H2,(H2,6,7)",70.02784,14.737589999999999,
15980,[C:1]([c:2]1[c:3]([H:11])[o:4][c:5]([N:6]([H:12])[H:13])[c:7]1[H:14])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:3]([H:11])[O+:4]=[C-:5][C@:7]1([N:6]([H:12])[H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-5(6)7-3-4/h2-3H,6H2,1H3","InChI=1S/C5H7NO/c1-4-2-7-3-5(4)6/h2,5H,6H2,1H3/t5-/m1/s1",80.56453,66.70835,
15981,[C:1]([c:2]1[c:3]([H:11])[o:4][c:5]([N:6]([H:12])[H:13])[c:7]1[H:14])([H:8])([H:9])[H:10],[C:1]([C:2]#[C:3][H:11])([H:8])([H:9])[H:10].[O:4]=[C:5]=[C:7]([N:6]([H:12])[H:13])[H:14],"InChI=1S/C5H7NO/c1-4-2-5(6)7-3-4/h2-3H,6H2,1H3","InChI=1S/C3H4.C2H3NO/c1-3-2;3-1-2-4/h1H,2H3;1H,3H2",98.84339,62.003119999999996,
15982,[C:1]([c:2]1[c:3]([H:11])[o:4][c:5]([N:6]([H:12])[H:13])[c:7]1[H:14])([H:8])([H:9])[H:10],[C:1](=[C:2]1[C-:3]([H:11])[O+:4]=[C:5]([N:6]([H:12])[H:13])[C:7]1([H:8])[H:14])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-5(6)7-3-4/h2-3H,6H2,1H3","InChI=1S/C5H7NO/c1-4-2-5(6)7-3-4/h3H,1-2,6H2",88.62682,54.83596,
15983,[C:1]([c:2]1[c:3]([H:11])[o:4][c:5]([N:6]([H:12])[H:13])[c:7]1[H:14])([H:8])([H:9])[H:10],[C:1](=[C:2]1[C:3]([H:8])([H:11])[O:4][C:5]([N:6]([H:12])[H:13])=[C:7]1[H:14])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-5(6)7-3-4/h2-3H,6H2,1H3","InChI=1S/C5H7NO/c1-4-2-5(6)7-3-4/h2H,1,3,6H2",77.33379000000001,9.234960000000001,
15984,[C:1]([c:2]1[c:3]([H:11])[o:4][c:5]([N:6]([H:12])[H:13])[c:7]1[H:14])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:3]([H:11])[O:4]/[C:5](=[N:6]/[H:13])[C:7]1([H:12])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-5(6)7-3-4/h2-3H,6H2,1H3","InChI=1S/C5H7NO/c1-4-2-5(6)7-3-4/h3,6H,2H2,1H3/b6-5+",67.13776999999999,4.67957,
15985,[C:1]([c:2]1[c:3]([H:11])[o:4][c:5]([N:6]([H:12])[H:13])[c:7]1[H:14])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([C:3](=[O:4])[H:11])[C:5]([N:6]([H:12])[H:13])=[C:7]1[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-5(6)7-3-4/h2-3H,6H2,1H3","InChI=1S/C5H7NO/c1-5(3-7)2-4(5)6/h2-3H,6H2,1H3/t5-/m1/s1",55.586940000000006,43.029070000000004,ketoenol
15986,[C:1]([c:2]1[c:3]([H:11])[o:4][c:5]([N:6]([H:12])[H:13])[c:7]1[H:14])([H:8])([H:9])[H:10],[C:1](/[C:2]([C:3](=[O:4])[H:11])=[C:7]([C:5](=[N:6]/[H:12])/[H:13])\[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-5(6)7-3-4/h2-3H,6H2,1H3","InChI=1S/C5H7NO/c1-5(4-7)2-3-6/h2-4,6H,1H3/b5-2-,6-3+",67.94971,12.31851,
15987,[C:1]([c:2]1[c:3]([H:11])[o:4][c:5]([N:6]([H:12])[H:13])[c:7]1[H:14])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:7]([H:14])/[C:5](=[N:6]\[H:13])[O:4][C:3]1([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-5(6)7-3-4/h2-3H,6H2,1H3","InChI=1S/C5H7NO/c1-4-2-5(6)7-3-4/h2,6H,3H2,1H3/b6-5+",84.05165,1.70564,
15988,[C:1]([c:2]1[c:3]([H:11])[o:4][c:5]([N:6]([H:12])[H:13])[c:7]1[H:14])([H:8])([H:9])[H:10],[C:1](=[C:2]1[C:3]([H:11])=[O+:4][C-:5]=[C:7]1[H:14])([H:9])[H:10].[N:6]([H:8])([H:12])[H:13],"InChI=1S/C5H7NO/c1-4-2-5(6)7-3-4/h2-3H,6H2,1H3","InChI=1S/C5H4O.H3N/c1-5-2-3-6-4-5;/h2,4H,1H2;1H3",136.42761000000002,89.3757,
15989,[C:1]([c:2]1[c:3]([H:11])[o:4][c:5]([N:6]([H:12])[H:13])[c:7]1[H:14])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:3]([H:11])[C@@:7]1([C:5](=[O:4])[N:6]([H:12])[H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-5(6)7-3-4/h2-3H,6H2,1H3","InChI=1S/C5H7NO/c1-3-2-4(3)5(6)7/h2,4H,1H3,(H2,6,7)/t4-/m0/s1",61.504090000000005,25.014329999999998,ketoenol
15990,[C:1]([c:2]1[c:3]([H:11])[o:4][c:5]([N:6]([H:12])[H:13])[c:7]1[H:14])([H:8])([H:9])[H:10],[C:1](/[C:2]([C:3](=[O:4])[H:11])=[C:7](/[C:5][N:6]([H:12])[H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-5(6)7-3-4/h2-3H,6H2,1H3","InChI=1S/C5H7NO/c1-5(4-7)2-3-6/h2,4H,6H2,1H3/b5-2-",39.38898,44.049890000000005,
15991,[C:1]([c:2]1[c:3]([H:11])[o:4][c:5]([N:6]([H:12])[H:13])[c:7]1[H:14])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3](=[O:4])[H:11])=[C:7]=[C:5]([N:6]([H:12])[H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-5(6)7-3-4/h2-3H,6H2,1H3","InChI=1S/C5H7NO/c1-5(4-7)2-3-6/h3-4H,6H2,1H3",69.8528,28.55779,
15992,[C:1]([c:2]1[c:3]([H:11])[o:4][c:5]([N:6]([H:12])[H:13])[c:7]1[H:14])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]([O:4][H:12])[H:11])[C:7](=[C:5]=[N:6][H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-5(6)7-3-4/h2-3H,6H2,1H3","InChI=1S/C5H7NO/c1-5(4-7)2-3-6/h2,4,6-7H,1H3",69.77851,20.32244,
15993,[C:1]([c:2]1[c:3]([H:11])[o:4][c:5]([N:6]([H:12])[H:13])[c:7]1[H:14])([H:8])([H:9])[H:10],[C:1]([C:7](=[C:2]=[C:3]([O+:4]=[C-:5][N:6]([H:12])[H:13])[H:11])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-5(6)7-3-4/h2-3H,6H2,1H3","InChI=1S/C5H7NO/c1-2-3-4-7-5-6/h2,4H,6H2,1H3",131.49596,67.24275,
15994,[C:1]([c:2]1[c:3]([H:11])[o:4][c:5]([N:6]([H:12])[H:13])[c:7]1[H:14])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C-:3][O+:4]=[C:5]([N:6]([H:12])[H:13])[C:7]1([H:11])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-5(6)7-3-4/h2-3H,6H2,1H3","InChI=1S/C5H7NO/c1-4-2-5(6)7-3-4/h2,6H2,1H3",84.96849,57.867369999999994,
15995,[C:1]([c:2]1[c:3]([H:11])[o:4][c:5]([N:6]([H:12])[H:13])[c:7]1[H:14])([H:8])([H:9])[H:10],[C:1]([C-:2]1[C@:3]([N:6]([H:12])[H:13])([H:11])[O+:4]=[C:5]=[C:7]1[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-5(6)7-3-4/h2-3H,6H2,1H3","InChI=1S/C5H7NO/c1-4-2-3-7-5(4)6/h2,5H,6H2,1H3/t5-/m0/s1",108.87871000000001,57.98295,
15996,[C:1]([c:2]1[c:3]([H:11])[o:4][c:5]([N:6]([H:12])[H:13])[c:7]1[H:14])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]=[O:4])[H:11])([H:8])([H:9])[H:10].[C:5]([N:6]([H:12])[H:13])#[C:7][H:14],"InChI=1S/C5H7NO/c1-4-2-5(6)7-3-4/h2-3H,6H2,1H3","InChI=1S/C3H4O.C2H3N/c1-2-3-4;1-2-3/h2H,1H3;1H,3H2",102.15398,58.17739,
15997,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[N:3]1[C:4]([H:11])([H:12])[C:5]21[C:6]([H:13])([H:14])[C:7]1([H:15])[H:16],[C:1](=[N:3][C@@:2]1([H:10])[C:4]([H:11])([H:12])[C:5]12[C:6]([H:13])([H:14])[C:7]2([H:15])[H:16])([H:8])[H:9],"InChI=1S/C6H9N/c1-2-6(1)4-7-3-5(6)7/h5H,1-4H2/t5-,7?/m1/s1","InChI=1S/C6H9N/c1-7-5-4-6(5)2-3-6/h5H,1-4H2/t5-/m0/s1",63.6754,-13.27691,
15998,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[N:3]1[C:4]([H:11])([H:12])[C:5]21[C:6]([H:13])([H:14])[C:7]1([H:15])[H:16],[C:1](=[N:3][C:4]([C:5]1([C:2][H:10])[C:6]([H:13])([H:14])[C:7]1([H:15])[H:16])([H:11])[H:12])([H:8])[H:9],"InChI=1S/C6H9N/c1-2-6(1)4-7-3-5(6)7/h5H,1-4H2/t5-,7?/m1/s1","InChI=1S/C6H9N/c1-6(3-4-6)5-7-2/h1H,2-5H2",53.372569999999996,50.3539,
15999,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[N:3]1[C:4]([H:11])([H:12])[C:5]21[C:6]([H:13])([H:14])[C:7]1([H:15])[H:16],[C:1]1([H:8])([H:9])[C:2]([H:10])=[N:3][C:4]([H:11])([H:12])[C:5]12[C:6]([H:13])([H:14])[C:7]2([H:15])[H:16],"InChI=1S/C6H9N/c1-2-6(1)4-7-3-5(6)7/h5H,1-4H2/t5-,7?/m1/s1","InChI=1S/C6H9N/c1-2-6(1)3-4-7-5-6/h4H,1-3,5H2",64.31893000000001,-42.2003,
16000,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[N:3]1[C:4]([H:11])([H:12])[C:5]21[C:6]([H:13])([H:14])[C:7]1([H:15])[H:16],[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[N:3]1[C:4]([H:11])([H:12])[C@:5]2([C:6]([H:13])([H:14])[H:16])[C:7][H:15],"InChI=1S/C6H9N/c1-2-6(1)4-7-3-5(6)7/h5H,1-4H2/t5-,7?/m1/s1","InChI=1S/C6H9N/c1-6(2)4-7-3-5(6)7/h1,5H,3-4H2,2H3/t5-,6-,7?/m1/s1",66.34218,72.78045,
16001,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[N:3]1[C:4]([H:11])([H:12])[C:5]21[C:6]([H:13])([H:14])[C:7]1([H:15])[H:16],[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[N:3]1[C:4]([H:11])=[C:5]2[H:12].[C:6](=[C:7]([H:15])[H:16])([H:13])[H:14],"InChI=1S/C6H9N/c1-2-6(1)4-7-3-5(6)7/h5H,1-4H2/t5-,7?/m1/s1","InChI=1S/C4H5N.C2H4/c1-2-5-3-4(1)5;1-2/h1-2,4H,3H2;1-2H2/t4-,5?;/m0./s1",88.21752,26.71247,
16002,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[N:3]1[C:4]([H:11])([H:12])[C:5]21[C:6]([H:13])([H:14])[C:7]1([H:15])[H:16],[C:1](=[C:2]([N:3]1[C:4]([H:11])([H:12])[C:5]12[C:6]([H:13])([H:14])[C:7]2([H:15])[H:16])[H:10])([H:8])[H:9],"InChI=1S/C6H9N/c1-2-6(1)4-7-3-5(6)7/h5H,1-4H2/t5-,7?/m1/s1","InChI=1S/C6H9N/c1-2-7-5-6(7)3-4-6/h2H,1,3-5H2",55.05732,-3.4019800000000004,
16003,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[N:3]1[C:4]([H:11])([H:12])[C:5]21[C:6]([H:13])([H:14])[C:7]1([H:15])[H:16],[C:1]([N+:3]1=[C:4]([H:12])[C:5]2([C-:2]1[H:10])[C:6]([H:13])([H:14])[C:7]2([H:15])[H:16])([H:8])([H:9])[H:11],"InChI=1S/C6H9N/c1-2-6(1)4-7-3-5(6)7/h5H,1-4H2/t5-,7?/m1/s1","InChI=1S/C6H9N/c1-7-4-6(5-7)2-3-6/h4-5H,2-3H2,1H3",95.22489,23.255329999999997,
16004,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[N:3]1[C:4]([H:11])([H:12])[C:5]21[C:6]([H:13])([H:14])[C:7]1([H:15])[H:16],[C-:1]1([H:8])[C@@:2]2([H:10])[N+:3]1([H:9])[C:4]([H:11])([H:12])[C:5]21[C:6]([H:13])([H:14])[C:7]1([H:15])[H:16],"InChI=1S/C6H9N/c1-2-6(1)4-7-3-5(6)7/h5H,1-4H2/t5-,7?/m1/s1","InChI=1S/C6H9N/c1-2-6(1)4-7-3-5(6)7/h3,5,7H,1-2,4H2/t5-/m1/s1",60.271119999999996,47.80912,
16005,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[N:3]1[C:4]([H:11])([H:12])[C:5]21[C:6]([H:13])([H:14])[C:7]1([H:15])[H:16],[C:1]1([H:8])([H:9])[C:2]([H:10])=[N:3]1.[C:4]([C:5]1=[C:7]([H:16])[C:6]1([H:13])[H:14])([H:11])([H:12])[H:15],"InChI=1S/C6H9N/c1-2-6(1)4-7-3-5(6)7/h5H,1-4H2/t5-,7?/m1/s1","InChI=1S/C4H6.C2H3N/c1-4-2-3-4;1-2-3-1/h2H,3H2,1H3;1H,2H2",94.6089,36.1089,
16006,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[N:3]1[C:4]([H:11])([H:12])[C:5]21[C:6]([H:13])([H:14])[C:7]1([H:15])[H:16],[C-:1]([N+:3]1=[C:2]([H:10])[C:5]2([C:4]1([H:11])[H:12])[C:6]([H:13])([H:14])[C:7]2([H:15])[H:16])([H:8])[H:9],"InChI=1S/C6H9N/c1-2-6(1)4-7-3-5(6)7/h5H,1-4H2/t5-,7?/m1/s1","InChI=1S/C6H9N/c1-7-4-6(5-7)2-3-6/h4H,1-3,5H2",46.48583,13.276489999999999,
16007,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[N:3]1[C:4]([H:11])([H:12])[C:5]21[C:6]([H:13])([H:14])[C:7]1([H:15])[H:16],[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[N:3]1[C:4]([H:11])([H:12])[C+:6]([H:14])[C:5]2=[C-:7][H:16].[H:13][H:15],"InChI=1S/C6H9N/c1-2-6(1)4-7-3-5(6)7/h5H,1-4H2/t5-,7?/m1/s1","InChI=1S/C6H7N.H2/c1-5-2-3-7-4-6(5)7;/h1-2,6H,3-4H2;1H/t6-,7?;/m1./s1",148.59198,67.10635,
16008,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[N:3]1[C:4]([H:11])([H:12])[C:5]21[C:6]([H:13])([H:14])[C:7]1([H:15])[H:16],[C:1]1([H:8])([H:9])[C:2][C:5]2([C:4]([H:11])([H:12])[N:3]1[H:10])[C:6]([H:13])([H:14])[C:7]2([H:15])[H:16],"InChI=1S/C6H9N/c1-2-6(1)4-7-3-5(6)7/h5H,1-4H2/t5-,7?/m1/s1","InChI=1S/C6H9N/c1-2-6(1)3-4-7-5-6/h7H,1-2,4-5H2",55.24445,30.546590000000002,
16009,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[N:3]1[C:4]([H:11])([H:12])[C:5]21[C:6]([H:13])([H:14])[C:7]1([H:15])[H:16],[C:1]1([H:8])([H:9])[N:3]2[C@:2]3([H:10])[C@@:5]([C:4]2([H:11])[H:12])([C:6]1([H:13])[H:14])[C:7]3([H:15])[H:16],"InChI=1S/C6H9N/c1-2-6(1)4-7-3-5(6)7/h5H,1-4H2/t5-,7?/m1/s1","InChI=1S/C6H9N/c1-2-7-4-6(1)3-5(6)7/h5H,1-4H2/t5-,6-/m0/s1",94.88221999999999,35.01979,
16010,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[N:3]1[C:4]([H:11])([H:12])[C:5]21[C:6]([H:13])([H:14])[C:7]1([H:15])[H:16],[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[N:3]1[C:4]([H:12])=[C:5]2[C:6](=[C:7]([H:15])[H:16])[H:13].[H:11][H:14],"InChI=1S/C6H9N/c1-2-6(1)4-7-3-5(6)7/h5H,1-4H2/t5-,7?/m1/s1","InChI=1S/C6H7N.H2/c1-2-5-3-7-4-6(5)7;/h2-3,6H,1,4H2;1H/t6-,7?;/m1./s1",94.27111,26.24788,
16011,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[N:3]1[C:4]([H:11])([H:12])[C:5]21[C:6]([H:13])([H:14])[C:7]1([H:15])[H:16],[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[N:3]1[C:4]([H:11])([H:12])[C@:5]2([C:6]([C:7][H:15])([H:13])[H:14])[H:16],"InChI=1S/C6H9N/c1-2-6(1)4-7-3-5(6)7/h5H,1-4H2/t5-,7?/m1/s1","InChI=1S/C6H9N/c1-2-5-3-7-4-6(5)7/h1,5-6H,2-4H2/t5-,6-,7?/m1/s1",70.73213,77.60134000000001,
16012,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[N:3]1[C:4]([H:11])([H:12])[C:5]21[C:6]([H:13])([H:14])[C:7]1([H:15])[H:16],[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[N:3]1[C:4]([H:11])([H:12])[C:5](=[C:6]([H:13])[H:14])[C:7]2([H:15])[H:16],"InChI=1S/C6H9N/c1-2-6(1)4-7-3-5(6)7/h5H,1-4H2/t5-,7?/m1/s1","InChI=1S/C6H9N/c1-5-2-6-4-7(6)3-5/h6H,1-4H2/t6-,7?/m0/s1",85.79026999999999,-30.82481,
16013,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[N:3]1[C:4]([H:11])([H:12])[C:5]21[C:6]([H:13])([H:14])[C:7]1([H:15])[H:16],[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[N+:3]1([H:12])[C-:4]([H:11])[C:5]21[C:6]([H:13])([H:14])[C:7]1([H:15])[H:16],"InChI=1S/C6H9N/c1-2-6(1)4-7-3-5(6)7/h5H,1-4H2/t5-,7?/m1/s1","InChI=1S/C6H9N/c1-2-6(1)4-7-3-5(6)7/h4-5,7H,1-3H2/t5-/m1/s1",82.13376,58.326930000000004,
16014,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[N:3]1[C:4]([H:11])([H:12])[C:5]21[C:6]([H:13])([H:14])[C:7]1([H:15])[H:16],[C:1](=[C:2]([N:3]1[C:4]([H:11])([H:12])[C:5](=[C:6]([H:13])[H:14])[C:7]1([H:15])[H:16])[H:10])([H:8])[H:9],"InChI=1S/C6H9N/c1-2-6(1)4-7-3-5(6)7/h5H,1-4H2/t5-,7?/m1/s1","InChI=1S/C6H9N/c1-3-7-4-6(2)5-7/h3H,1-2,4-5H2",95.6147,-21.56733,
16015,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[N:3]1[C:4]([H:11])([H:12])[C:5]21[C:6]([H:13])([H:14])[C:7]1([H:15])[H:16],[C:1]1([H:8])([H:9])[C+:2]2[N:3]1[C:4]([H:11])([H:12])[C@@:5]21[C-:6]([H:14])[C:7]1([H:15])[H:16].[H:10][H:13],"InChI=1S/C6H9N/c1-2-6(1)4-7-3-5(6)7/h5H,1-4H2/t5-,7?/m1/s1","InChI=1S/C6H7N.H2/c1-2-6(1)4-7-3-5(6)7;/h1H,2-4H2;1H/t6-,7?;/m0./s1",103.20903,107.09108,
16016,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[N:3]1[C:4]([H:11])([H:12])[C:5]21[C:6]([H:13])([H:14])[C:7]1([H:15])[H:16],[C:1]1([H:9])=[C:2]([H:10])[N:3]1[C:4]([C:5]([C:6]([H:8])([H:13])[H:14])=[C:7]([H:15])[H:16])([H:11])[H:12],"InChI=1S/C6H9N/c1-2-6(1)4-7-3-5(6)7/h5H,1-4H2/t5-,7?/m1/s1","InChI=1S/C6H9N/c1-6(2)5-7-3-4-7/h3-4H,1,5H2,2H3",70.2851,25.23433,
16017,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[N:3]1[C:4]([H:11])([H:12])[C:5]21[C:6]([H:13])([H:14])[C:7]1([H:15])[H:16],[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[N:3]3[C:4]([H:11])([H:12])[C@@:5]23[C:7]([H:15])([H:16])[C:6]1([H:13])[H:14],"InChI=1S/C6H9N/c1-2-6(1)4-7-3-5(6)7/h5H,1-4H2/t5-,7?/m1/s1","InChI=1S/C6H9N/c1-2-5-6(3-1)4-7(5)6/h5H,1-4H2/t5-,6+,7?/m1/s1",85.84149000000001,32.46029,
16018,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[N:3]1[C:4]([H:11])([H:12])[C:5]21[C:6]([H:13])([H:14])[C:7]1([H:15])[H:16],[C@@:1]12([H:9])[C@@:2]3([H:10])[N:3]1[C:4]([H:11])([H:12])[C@@:5]23[C:7]([C:6]([H:8])([H:13])[H:14])([H:15])[H:16],"InChI=1S/C6H9N/c1-2-6(1)4-7-3-5(6)7/h5H,1-4H2/t5-,7?/m1/s1","InChI=1S/C6H9N/c1-2-6-3-7-4(6)5(6)7/h4-5H,2-3H2,1H3/t4-,5+,6-,7?",76.86336999999999,20.82328,
16019,[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[N:3]1[C:4]([H:11])([H:12])[C:5]21[C:6]([H:13])([H:14])[C:7]1([H:15])[H:16],[C:1]1([H:8])([H:9])[C-:2]([H:10])[N+:3]12[C:4]([H:11])([H:12])[C:5]21[C:6]([H:13])([H:14])[C:7]1([H:15])[H:16],"InChI=1S/C6H9N/c1-2-6(1)4-7-3-5(6)7/h5H,1-4H2/t5-,7?/m1/s1","InChI=1S/C6H9N/c1-2-6(1)5-7(6)3-4-7/h3H,1-2,4-5H2",87.40642,68.46951,
16020,[C:1]([c:2]1[c:3]([H:11])[o:4][c:5]([H:12])[c:6]1[N:7]([H:13])[H:14])([H:8])([H:9])[H:10],[C:1]([C@:2]1([H:13])[C:3]([H:11])=[O+:4][C:5]([H:12])=[C:6]1[N-:7][H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-7-3-5(4)6/h2-3H,6H2,1H3","InChI=1S/C5H7NO/c1-4-2-7-3-5(4)6/h2-4,6H,1H3/t4-/m1/s1",74.09865,44.440979999999996,
16021,[C:1]([c:2]1[c:3]([H:11])[o:4][c:5]([H:12])[c:6]1[N:7]([H:13])[H:14])([H:8])([H:9])[H:10],[C:1]([C:6](=[C:2]=[C:3]([O+:4]=[C-:5][H:12])[H:11])[N:7]([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-7-3-5(4)6/h2-3H,6H2,1H3","InChI=1S/C5H7NO/c1-5(6)3-4-7-2/h2,4H,6H2,1H3",152.34108999999998,94.84687,
16022,[C:1]([c:2]1[c:3]([H:11])[o:4][c:5]([H:12])[c:6]1[N:7]([H:13])[H:14])([H:8])([H:9])[H:10],[C:1](=[C:2]1[C:3]([H:9])([H:11])[O:4][C:5]([H:12])=[C:6]1[N:7]([H:13])[H:14])([H:8])[H:10],"InChI=1S/C5H7NO/c1-4-2-7-3-5(4)6/h2-3H,6H2,1H3","InChI=1S/C5H7NO/c1-4-2-7-3-5(4)6/h3H,1-2,6H2",83.43843000000001,15.11556,
16023,[C:1]([c:2]1[c:3]([H:11])[o:4][c:5]([H:12])[c:6]1[N:7]([H:13])[H:14])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:6]([N:7]([H:13])[H:14])[C@@:5]2([H:12])[C@:3]1([H:11])[O:4]2)([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-7-3-5(4)6/h2-3H,6H2,1H3","InChI=1S/C5H7NO/c1-2-3(6)5-4(2)7-5/h4-5H,6H2,1H3/t4-,5+/m1/s1",87.30717,58.12959,Intra_2+2_cycloaddition_Cd
16024,[C:1]([c:2]1[c:3]([H:11])[o:4][c:5]([H:12])[c:6]1[N:7]([H:13])[H:14])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([C:3](=[O:4])[H:11])[C:5]([H:12])=[C:6]1[N:7]([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-7-3-5(4)6/h2-3H,6H2,1H3","InChI=1S/C5H7NO/c1-5(3-7)2-4(5)6/h2-3H,6H2,1H3/t5-/m0/s1",67.59903,40.7685,ketoenol
16025,[C:1]([c:2]1[c:3]([H:11])[o:4][c:5]([H:12])[c:6]1[N:7]([H:13])[H:14])([H:8])([H:9])[H:10],[C:1]([C:3](=[C:2]=[C:6]([C:5](=[O:4])[H:12])[N:7]([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-7-3-5(4)6/h2-3H,6H2,1H3","InChI=1S/C5H7NO/c1-2-3-5(6)4-7/h2,4H,6H2,1H3",77.31689,24.742929999999998,
16026,[C:1]([c:2]1[c:3]([H:11])[o:4][c:5]([H:12])[c:6]1[N:7]([H:13])[H:14])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C-:3]=[O+:4][C:5]([H:12])=[C:6]1[N:7]([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-7-3-5(4)6/h2-3H,6H2,1H3","InChI=1S/C5H7NO/c1-4-2-7-3-5(4)6/h3-4H,6H2,1H3/t4-/m0/s1",64.92055,58.855880000000006,Singlet_Carbene_Intra_Disproportionation
16027,[C:1]([c:2]1[c:3]([H:11])[o:4][c:5]([H:12])[c:6]1[N:7]([H:13])[H:14])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]([O-:4])[H:11])[C:6]1=[C:5]([H:12])[N+:7]1([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-7-3-5(4)6/h2-3H,6H2,1H3","InChI=1S/C5H7NO/c1-4(3-7)5-2-6-5/h2-3,6-7H,1H3",69.56357,67.76504,
16028,[C:1]([c:2]1[c:3]([H:11])[o:4][c:5]([H:12])[c:6]1[N:7]([H:13])[H:14])([H:8])([H:9])[H:10],[C:1]([C-:2]1[C:6](=[C:5]([O+:4]=[C-:3][H:11])[H:12])[N+:7]1([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-7-3-5(4)6/h2-3H,6H2,1H3","InChI=1S/C5H7NO/c1-4-5(6-4)3-7-2/h2-3H,6H2,1H3",141.25447,149.66986,
16029,[C:1]([c:2]1[c:3]([H:11])[o:4][c:5]([H:12])[c:6]1[N:7]([H:13])[H:14])([H:8])([H:9])[H:10],[C:1](=[C:2]1[C:3]([H:11])=[O+:4][C:5]([H:12])=[C:6]1[N-:7][H:13])([H:8])[H:10].[H:9][H:14],"InChI=1S/C5H7NO/c1-4-2-7-3-5(4)6/h2-3H,6H2,1H3","InChI=1S/C5H5NO.H2/c1-4-2-7-3-5(4)6;/h2-3,6H,1H2;1H",72.20145,64.84333000000001,
16030,[C:1]([c:2]1[c:3]([H:11])[o:4][c:5]([H:12])[c:6]1[N:7]([H:13])[H:14])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:3]([H:11])[O:4][C:5]([H:12])([H:13])/[C:6]1=[N:7]/[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-7-3-5(4)6/h2-3H,6H2,1H3","InChI=1S/C5H7NO/c1-4-2-7-3-5(4)6/h2,6H,3H2,1H3/b6-5-",64.89956,3.48832,
16031,[C:1]([c:2]1[c:3]([H:11])[o:4][c:5]([H:12])[c:6]1[N:7]([H:13])[H:14])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]=[O:4])[H:11])([H:8])([H:9])[H:10].[C:5](#[C:6][N:7]([H:13])[H:14])[H:12],"InChI=1S/C5H7NO/c1-4-2-7-3-5(4)6/h2-3H,6H2,1H3","InChI=1S/C3H4O.C2H3N/c1-2-3-4;1-2-3/h2H,1H3;1H,3H2",102.13133,54.956030000000005,
16032,[C:1]([c:2]1[c:3]([H:11])[o:4][c:5]([H:12])[c:6]1[N:7]([H:13])[H:14])([H:8])([H:9])[H:10],[C:1]([c:2]1[c:3]([H:11])[o:4][c-:5][c:6]1[N+:7]([H:12])([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-7-3-5(4)6/h2-3H,6H2,1H3","InChI=1S/C5H6NO/c1-4-2-7-3-5(4)6/h2H,6H2,1H3/q-1/p+1",73.21381,70.45984,
16033,[C:1]([c:2]1[c:3]([H:11])[o:4][c:5]([H:12])[c:6]1[N:7]([H:13])[H:14])([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:3](/[C:5](=[O:4])[H:12])[H:11])[C:6][N:7]([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-7-3-5(4)6/h2-3H,6H2,1H3","InChI=1S/C5H7NO/c1-5(4-6)2-3-7/h2-3H,6H2,1H3/b5-2-",72.62358,42.69688,
16034,[C:1]([c:2]1[c:3]([H:11])[o:4][c:5]([H:12])[c:6]1[N:7]([H:13])[H:14])([H:8])([H:9])[H:10],[C:1](=[C:2]1[C-:3]([H:11])[O+:4]=[C:5]=[C:6]1[N:7]([H:13])[H:14])([H:8])[H:10].[H:9][H:12],"InChI=1S/C5H7NO/c1-4-2-7-3-5(4)6/h2-3H,6H2,1H3","InChI=1S/C5H5NO.H2/c1-4-2-7-3-5(4)6;/h2H,1,6H2;1H",132.15051,101.69019,
16035,[C:1]([c:2]1[c:3]([H:11])[o:4][c:5]([H:12])[c:6]1[N:7]([H:13])[H:14])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:3]([H:11])[O+:4]=[C-:5][C@@:6]1([N:7]([H:13])[H:14])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-7-3-5(4)6/h2-3H,6H2,1H3","InChI=1S/C5H7NO/c1-4-2-7-3-5(4)6/h2,5H,6H2,1H3/t5-/m0/s1",64.17258000000001,63.53155,Singlet_Carbene_Intra_Disproportionation
16036,[C:1]([c:2]1[c:3]([H:11])[o:4][c:5]([H:12])[c:6]1[N:7]([H:13])[H:14])([H:8])([H:9])[H:10],[C:1]([C@:2]1([H:12])[C-:3]([H:11])[O+:4]=[C:5]=[C:6]1[N:7]([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-7-3-5(4)6/h2-3H,6H2,1H3","InChI=1S/C5H7NO/c1-4-2-7-3-5(4)6/h2,4H,6H2,1H3/t4-/m1/s1",89.12437,77.59734,
16037,[C:1]([c:2]1[c:3]([H:11])[o:4][c:5]([H:12])[c:6]1[N:7]([H:13])[H:14])([H:8])([H:9])[H:10],[C:1](=[C:2]1[C:3]([H:11])=[O+:4][C:5]([H:9])([H:12])[C-:6]1[N:7]([H:13])[H:14])([H:8])[H:10],"InChI=1S/C5H7NO/c1-4-2-7-3-5(4)6/h2-3H,6H2,1H3","InChI=1S/C5H7NO/c1-4-2-7-3-5(4)6/h2H,1,3,6H2",117.32031,57.833909999999996,
16038,[C:1]([c:2]1[c:3]([H:11])[o:4][c:5]([H:12])[c:6]1[N:7]([H:13])[H:14])([H:8])([H:9])[H:10],[C:1]([N+:7]([C:6]1=[C:2]=[C:3]([H:11])[O:4][C-:5]1[H:12])([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-4-2-7-3-5(4)6/h2-3H,6H2,1H3","InChI=1S/C5H6NO/c1-6-5-2-3-7-4-5/h3-4,6H,1H3/q-1/p+1",104.25859,82.14955,
16039,[C:1]([C@@:2]12[C@:3]3([H:11])[C@@:4]4([H:12])[C@:5]3([H:13])[N:6]1[C@@:7]24[H:14])([H:8])([H:9])[H:10],[C:1]([C:2]1=[N:6][C@@:7]1([C:4]1([H:12])[C:3]([H:11])=[C:5]1[H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C6H7N/c1-6-3-2-4(3)7(6)5(2)6/h2-5H,1H3/t2-,3+,4-,5+,6-,7?/m0/s1","InChI=1S/C6H7N/c1-4-6(7-4)5-2-3-5/h2-3,5-6H,1H3/t6-/m0/s1",61.58223,-20.22878,
16040,[C:1]([C@@:2]12[C@:3]3([H:11])[C@@:4]4([H:12])[C@:5]3([H:13])[N:6]1[C@@:7]24[H:14])([H:8])([H:9])[H:10],[C:1]([C@:2]12[C@:3]3([H:11])[C@:5]([H:13])([C:4]([H:12])=[C:7]1[H:14])[N:6]23)([H:8])([H:9])[H:10],"InChI=1S/C6H7N/c1-6-3-2-4(3)7(6)5(2)6/h2-5H,1H3/t2-,3+,4-,5+,6-,7?/m0/s1","InChI=1S/C6H7N/c1-6-3-2-4-5(6)7(4)6/h2-5H,1H3/t4-,5-,6+,7?/m0/s1",31.0004,-44.36484,
16041,[C:1]([C@@:2]12[C@:3]3([H:11])[C@@:4]4([H:12])[C@:5]3([H:13])[N:6]1[C@@:7]24[H:14])([H:8])([H:9])[H:10],[C:1]([c:2]1[c:3]([H:11])[c:5]([H:13])[c:4]([H:12])[c:7]([H:14])[n:6]1)([H:8])([H:9])[H:10],"InChI=1S/C6H7N/c1-6-3-2-4(3)7(6)5(2)6/h2-5H,1H3/t2-,3+,4-,5+,6-,7?/m0/s1","InChI=1S/C6H7N/c1-6-4-2-3-5-7-6/h2-5H,1H3",36.53395,-122.5659,
16042,[C:1]([C@@:2]12[C@:3]3([H:11])[C@@:4]4([H:12])[C@:5]3([H:13])[N:6]1[C@@:7]24[H:14])([H:8])([H:9])[H:10],[C:1]([C@@:2]12[C@:3]3([H:11])[C@@:4]([H:12])([C@:5]3([H:13])[N:6]1[H:14])[C:7]2)([H:8])([H:9])[H:10],"InChI=1S/C6H7N/c1-6-3-2-4(3)7(6)5(2)6/h2-5H,1H3/t2-,3+,4-,5+,6-,7?/m0/s1","InChI=1S/C6H7N/c1-6-2-3-4(6)5(3)7-6/h3-5,7H,1H3/t3-,4+,5-,6+/m0/s1",47.83809,9.0665,
16043,[C:1]([C@@:2]12[C@:3]3([H:11])[C@@:4]4([H:12])[C@:5]3([H:13])[N:6]1[C@@:7]24[H:14])([H:8])([H:9])[H:10],[C:1]([C@:2]12[C@:3]3([H:11])[C:4][C@@:7]1([H:14])[N:6]2[C:5]3([H:12])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C6H7N/c1-6-3-2-4(3)7(6)5(2)6/h2-5H,1H3/t2-,3+,4-,5+,6-,7?/m0/s1","InChI=1S/C6H7N/c1-6-4-2-5(6)7(6)3-4/h4-5H,3H2,1H3/t4-,5-,6+,7?/m1/s1",53.315290000000005,13.85635,
16044,[C:1]([C@@:2]12[C@:3]3([H:11])[C@@:4]4([H:12])[C@:5]3([H:13])[N:6]1[C@@:7]24[H:14])([H:8])([H:9])[H:10],[C:1]([C@@:2]12[C:3][C@@:4]3([H:12])[C:5]([H:11])([H:13])[N:6]1[C@@:7]23[H:14])([H:8])([H:9])[H:10],"InChI=1S/C6H7N/c1-6-3-2-4(3)7(6)5(2)6/h2-5H,1H3/t2-,3+,4-,5+,6-,7?/m0/s1","InChI=1S/C6H7N/c1-6-2-4-3-7(6)5(4)6/h4-5H,3H2,1H3/t4-,5+,6-,7?/m0/s1",53.49406,13.5442,
16045,[C:1]([C@@:2]12[C@:3]3([H:11])[C@@:4]4([H:12])[C@:5]3([H:13])[N:6]1[C@@:7]24[H:14])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:3]([H:11])[C@:5]2([H:13])[C@@:4]3([H:12])[N:6]2[C@@:7]13[H:14])([H:8])([H:9])[H:10],"InChI=1S/C6H7N/c1-6-3-2-4(3)7(6)5(2)6/h2-5H,1H3/t2-,3+,4-,5+,6-,7?/m0/s1","InChI=1S/C6H7N/c1-3-2-4-6-5(3)7(4)6/h2,4-6H,1H3/t4-,5+,6-,7?/m1/s1",30.381729999999997,-44.58117,
16046,[C:1]([C@@:2]12[C@:3]3([H:11])[C@@:4]4([H:12])[C@:5]3([H:13])[N:6]1[C@@:7]24[H:14])([H:8])([H:9])[H:10],[C:1]([C@@:2]12[C@@:3]3([H:11])[C@@:4]([C:5][H:13])([H:12])[C@:7]1([H:14])[N:6]23)([H:8])([H:9])[H:10],"InChI=1S/C6H7N/c1-6-3-2-4(3)7(6)5(2)6/h2-5H,1H3/t2-,3+,4-,5+,6-,7?/m0/s1","InChI=1S/C6H7N/c1-3-4-6(2)5(3)7(4)6/h1,3-5H,2H3/t3-,4+,5-,6+,7?",76.91324,65.15884,
16047,[C:1]([C@@:2]12[C@:3]3([H:11])[C@@:4]4([H:12])[C@:5]3([H:13])[N:6]1[C@@:7]24[H:14])([H:8])([H:9])[H:10],[C:1](=[C:2]([C@:3]1([H:11])[C@@:4]2([H:12])[C@:5]1([H:13])[N:6]=[C:7]2[H:14])[H:8])([H:9])[H:10],"InChI=1S/C6H7N/c1-6-3-2-4(3)7(6)5(2)6/h2-5H,1H3/t2-,3+,4-,5+,6-,7?/m0/s1","InChI=1S/C6H7N/c1-2-4-5-3-7-6(4)5/h2-6H,1H2/t4-,5+,6-/m1/s1",66.71137,-35.01271,
16048,[C:1]([C@@:2]12[C@:3]3([H:11])[C@@:4]4([H:12])[C@:5]3([H:13])[N:6]1[C@@:7]24[H:14])([H:8])([H:9])[H:10],[C:1]([N:6]1[C@:5]2([H:13])[C@:3]3([H:11])[C:2][C@@:7]1([H:14])[C@@:4]32[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H7N/c1-6-3-2-4(3)7(6)5(2)6/h2-5H,1H3/t2-,3+,4-,5+,6-,7?/m0/s1","InChI=1S/C6H7N/c1-7-4-2-3-5(4)6(3)7/h3-6H,1H3/t3-,4+,5-,6-/m1/s1",81.57205,18.09271,
16049,[C:1]([C@@:2]12[C@:3]3([H:11])[C@@:4]4([H:12])[C@:5]3([H:13])[N:6]1[C@@:7]24[H:14])([H:8])([H:9])[H:10],[C:1]([C:2][C@@:7]1([H:14])[C@@:4]2([H:12])[C@:3]3([H:11])[C@@:5]2([H:13])[N:6]31)([H:8])([H:9])[H:10],"InChI=1S/C6H7N/c1-6-3-2-4(3)7(6)5(2)6/h2-5H,1H3/t2-,3+,4-,5+,6-,7?/m0/s1","InChI=1S/C6H7N/c1-2-3-4-5-6(4)7(3)5/h3-6H,1H3/t3-,4-,5+,6-,7?/m0/s1",79.97399999999999,63.63321,
16050,[C:1]([C@@:2]12[C@:3]3([H:11])[C@@:4]4([H:12])[C@:5]3([H:13])[N:6]1[C@@:7]24[H:14])([H:8])([H:9])[H:10],[C:1]([C:2][C@:3]1([H:11])[C@@:4]2([H:12])[C@:5]1([H:13])[N:6]=[C:7]2[H:14])([H:8])([H:9])[H:10],"InChI=1S/C6H7N/c1-6-3-2-4(3)7(6)5(2)6/h2-5H,1H3/t2-,3+,4-,5+,6-,7?/m0/s1","InChI=1S/C6H7N/c1-2-4-5-3-7-6(4)5/h3-6H,1H3/t4-,5+,6-/m1/s1",53.961769999999994,34.44918,
16051,[C:1]([C@@:2]12[C@:3]3([H:11])[C@@:4]4([H:12])[C@:5]3([H:13])[N:6]1[C@@:7]24[H:14])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([C:3]2([H:11])[C:4]([H:12])=[C:5]2[H:13])[N:6]=[C:7]1[H:14])([H:8])([H:9])[H:10],"InChI=1S/C6H7N/c1-6-3-2-4(3)7(6)5(2)6/h2-5H,1H3/t2-,3+,4-,5+,6-,7?/m0/s1","InChI=1S/C6H7N/c1-6(4-7-6)5-2-3-5/h2-5H,1H3/t6-/m1/s1",65.8704,-14.884089999999999,
16052,[C:1]([C@:2]12[C:3]([H:11])([H:12])[O:4][C@@:5]1([H:13])[C@:6]2([O:7][H:15])[H:14])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:5]([H:13])[O:4][C:3]1([H:11])[H:12])([H:8])([H:9])[H:10].[C:6]([O:7][H:15])[H:14],"InChI=1S/C5H8O2/c1-5-2-7-4(5)3(5)6/h3-4,6H,2H2,1H3/t3-,4+,5-/m1/s1","InChI=1S/C4H6O.CH2O/c1-4-2-5-3-4;1-2/h2H,3H2,1H3;1-2H",51.51262,66.66561,
16053,[C:1]([C@:2]12[C:3]([H:11])([H:12])[O:4][C@@:5]1([H:13])[C@:6]2([O:7][H:15])[H:14])([H:8])([H:9])[H:10],[C:1](=[C:2]1[C:3]([H:11])([H:12])[O:4][C@:5]1([C:6][O:7][H:15])[H:13])([H:8])[H:9].[H:10][H:14],"InChI=1S/C5H8O2/c1-5-2-7-4(5)3(5)6/h3-4,6H,2H2,1H3/t3-,4+,5-/m1/s1","InChI=1S/C5H6O2.H2/c1-4-3-7-5(4)2-6;/h5-6H,1,3H2;1H/t5-;/m0./s1",89.84544,57.53569,
16054,[C:1]([C@:2]12[C:3]([H:11])([H:12])[O:4][C@@:5]1([H:13])[C@:6]2([O:7][H:15])[H:14])([H:8])([H:9])[H:10],[C:1]([C@:2]1([H:15])[C:3]([H:11])([H:12])[O:4][C@:5]1([C:6](=[O:7])[H:14])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-5-2-7-4(5)3(5)6/h3-4,6H,2H2,1H3/t3-,4+,5-/m1/s1","InChI=1S/C5H8O2/c1-4-3-7-5(4)2-6/h2,4-5H,3H2,1H3/t4-,5+/m1/s1",50.88378,-18.10965,
16055,[C:1]([C@:2]12[C:3]([H:11])([H:12])[O:4][C@@:5]1([H:13])[C@:6]2([O:7][H:15])[H:14])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:13])[C:3]([H:11])([H:12])[O+:4]=[C-:5][C@:6]1([O:7][H:15])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-5-2-7-4(5)3(5)6/h3-4,6H,2H2,1H3/t3-,4+,5-/m1/s1","InChI=1S/C5H8O2/c1-4-2-7-3-5(4)6/h4-6H,2H2,1H3/t4-,5+/m0/s1",53.17971,11.38537,
16056,[C:1]([C@:2]12[C:3]([H:11])([H:12])[O:4][C@@:5]1([H:13])[C@:6]2([O:7][H:15])[H:14])([H:8])([H:9])[H:10],[C:1](=[C:2]1[C@@:3]2([H:12])[O:4][C@@:5]2([H:13])[C@:6]1([O:7][H:15])[H:14])([H:8])[H:9].[H:10][H:11],"InChI=1S/C5H8O2/c1-5-2-7-4(5)3(5)6/h3-4,6H,2H2,1H3/t3-,4+,5-/m1/s1","InChI=1S/C5H6O2.H2/c1-2-3(6)5-4(2)7-5;/h3-6H,1H2;1H/t3-,4+,5-;/m0./s1",85.56973,26.645670000000003,
16057,[C:1]([C@:2]12[C:3]([H:11])([H:12])[O:4][C@@:5]1([H:13])[C@:6]2([O:7][H:15])[H:14])([H:8])([H:9])[H:10],[C:1]([C@:2]1([H:11])[C@:5]([O+:4]=[C-:3][H:12])([H:13])[C@:6]1([O:7][H:15])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-5-2-7-4(5)3(5)6/h3-4,6H,2H2,1H3/t3-,4+,5-/m1/s1","InChI=1S/C5H8O2/c1-3-4(6)5(3)7-2/h2-6H,1H3/t3-,4-,5+/m0/s1",76.74996,46.489670000000004,
16058,[C:1]([C@:2]12[C:3]([H:11])([H:12])[O:4][C@@:5]1([H:13])[C@:6]2([O:7][H:15])[H:14])([H:8])([H:9])[H:10],[C:1](=[C:2]([C:3]([O:4]/[C:5](=[C:6](\[O:7][H:15])[H:14])[H:13])([H:11])[H:12])[H:10])([H:8])[H:9],"InChI=1S/C5H8O2/c1-5-2-7-4(5)3(5)6/h3-4,6H,2H2,1H3/t3-,4+,5-/m1/s1","InChI=1S/C5H8O2/c1-2-4-7-5-3-6/h2-3,5-6H,1,4H2/b5-3-",66.5069,-15.78031,
16059,[C:1]([C@:2]12[C:3]([H:11])([H:12])[O:4][C@@:5]1([H:13])[C@:6]2([O:7][H:15])[H:14])([H:8])([H:9])[H:10],[C:1]([C:2]1([C:6]([O:7][H:15])([H:11])[H:14])[C-:3]([H:12])[O+:4]=[C:5]1[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-5-2-7-4(5)3(5)6/h3-4,6H,2H2,1H3/t3-,4+,5-/m1/s1","InChI=1S/C5H8O2/c1-5(2-6)3-7-4-5/h3-4,6H,2H2,1H3",78.26335999999999,38.958909999999996,
16060,[C:1]([C@:2]12[C:3]([H:11])([H:12])[O:4][C@@:5]1([H:13])[C@:6]2([O:7][H:15])[H:14])([H:8])([H:9])[H:10],[C:1](/[C:2]([C:3]([O:4][H:15])([H:11])[H:12])=[C:5](/[C:6](=[O:7])[H:14])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-5-2-7-4(5)3(5)6/h3-4,6H,2H2,1H3/t3-,4+,5-/m1/s1","InChI=1S/C5H8O2/c1-5(4-7)2-3-6/h2-3,7H,4H2,1H3/b5-2-",39.569140000000004,-39.94481,
16061,[C:1]([C@:2]12[C:3]([H:11])([H:12])[O:4][C@@:5]1([H:13])[C@:6]2([O:7][H:15])[H:14])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:5]([H:13])[C@:6]1([O:7][H:15])[H:14])([H:8])([H:9])[H:10].[C:3](=[O:4])([H:11])[H:12],"InChI=1S/C5H8O2/c1-5-2-7-4(5)3(5)6/h3-4,6H,2H2,1H3/t3-,4+,5-/m1/s1","InChI=1S/C4H6O.CH2O/c1-3-2-4(3)5;1-2/h2,4-5H,1H3;1H2/t4-;/m1./s1",62.84161999999999,18.62695,2+2_cycloaddition
16062,[C:1]([C@:2]12[C:3]([H:11])([H:12])[O:4][C@@:5]1([H:13])[C@:6]2([O:7][H:15])[H:14])([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:3](/[O:4]/[C:5](=[C:6](\[O:7][H:15])[H:14])[H:13])[H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-5-2-7-4(5)3(5)6/h3-4,6H,2H2,1H3/t3-,4+,5-/m1/s1","InChI=1S/C5H8O2/c1-2-4-7-5-3-6/h2-6H,1H3/b4-2+,5-3-",79.41566,-22.479689999999998,
16063,[C:1]([C@:2]12[C:3]([H:11])([H:12])[O:4][C@@:5]1([H:13])[C@:6]2([O:7][H:15])[H:14])([H:8])([H:9])[H:10],[C:1]([C:2]1([C:6][O:7][H:15])[C:3]([H:11])([H:12])[O:4][C:5]1([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H8O2/c1-5-2-7-4(5)3(5)6/h3-4,6H,2H2,1H3/t3-,4+,5-/m1/s1","InChI=1S/C5H8O2/c1-5(2-6)3-7-4-5/h6H,3-4H2,1H3",51.986940000000004,35.72032,
16064,[C:1]([C@:2]12[C:3]([H:11])([H:12])[O:4][C@@:5]1([H:13])[C@:6]2([O:7][H:15])[H:14])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:6]([O:7][H:15])[C:5]1([H:13])[H:14])([H:8])([H:9])[H:10].[C:3](=[O:4])([H:11])[H:12],"InChI=1S/C5H8O2/c1-5-2-7-4(5)3(5)6/h3-4,6H,2H2,1H3/t3-,4+,5-/m1/s1","InChI=1S/C4H6O.CH2O/c1-3-2-4(3)5;1-2/h5H,2H2,1H3;1H2",75.91005,18.95952,
16065,[C:1](#[C:2][c:3]1[c:4]([H:9])[c:5]([H:10])[n:6][n:7]1[H:11])[H:8],[C:1]1([H:8])=[C+:2][C:3]([N-:7][H:11])=[C:4]([H:9])[C:5]([H:10])=[N:6]1,"InChI=1S/C5H4N2/c1-2-5-3-4-6-7-5/h1,3-4H,(H,6,7)","InChI=1S/C5H4N2/c6-5-1-3-7-4-2-5/h1,3-4H,(H-,6,7)",137.05534,40.31221,
16066,[C:1](#[C:2][c:3]1[c:4]([H:9])[c:5]([H:10])[n:6][n:7]1[H:11])[H:8],[C:1](#[C:2][C@@:3]1([H:11])[C:4]([H:9])=[C:5]([H:10])[N:6]=[N:7]1)[H:8],"InChI=1S/C5H4N2/c1-2-5-3-4-6-7-5/h1,3-4H,(H,6,7)","InChI=1S/C5H4N2/c1-2-5-3-4-6-7-5/h1,3-5H/t5-/m0/s1",53.271330000000006,39.84151,
16067,[C:1](#[C:2][c:3]1[c:4]([H:9])[c:5]([H:10])[n:6][n:7]1[H:11])[H:8],[C+:1](=[C:2]1[C:3][N:7]([H:11])[N-:6][C:5]([H:10])=[C:4]1[H:9])[H:8],"InChI=1S/C5H4N2/c1-2-5-3-4-6-7-5/h1,3-4H,(H,6,7)","InChI=1S/C5H4N2/c1-5-2-3-6-7-4-5/h1-3,7H",100.42534,101.91762,
16068,[C:1](#[C:2][c:3]1[c:4]([H:9])[c:5]([H:10])[n:6][n:7]1[H:11])[H:8],[C:1](#[C:2][C:3]1=[N+:6]([N-:7][H:11])[C:5]([H:10])=[C:4]1[H:9])[H:8],"InChI=1S/C5H4N2/c1-2-5-3-4-6-7-5/h1,3-4H,(H,6,7)","InChI=1S/C5H4N2/c1-2-5-3-4-7(5)6/h1,3-4,6H",94.83058,83.71463,
16069,[C:1](#[C:2][c:3]1[c:4]([H:9])[c:5]([H:10])[n:6][n:7]1[H:11])[H:8],[C:1](#[C:2][c:3]1[c:4]([H:9])[c:5]([H:10])[n:6]([H:11])[n:7]1)[H:8],"InChI=1S/C5H4N2/c1-2-5-3-4-6-7-5/h1,3-4H,(H,6,7)","InChI=1S/C5H4N2/c1-2-5-3-4-6-7-5/h1,3-4H,(H,6,7)",47.252320000000005,1.7905,
16070,[C:1](#[C:2][c:3]1[c:4]([H:9])[c:5]([H:10])[n:6][n:7]1[H:11])[H:8],[C:1](#[C:2][C:3]([C:4](=[C:5]=[N:6][H:10])[H:9])=[N:7][H:11])[H:8],"InChI=1S/C5H4N2/c1-2-5-3-4-6-7-5/h1,3-4H,(H,6,7)","InChI=1S/C5H4N2/c1-2-5(7)3-4-6/h1,3,6-7H",83.27711,18.72043,
16071,[C:1](#[C:2][c:3]1[c:4]([H:9])[c:5]([H:10])[n:6][n:7]1[H:11])[H:8],[C:1](=[C:2]=[C:3]1[C:4]([H:9])=[C:5]([H:10])[N:6]=[N:7]1)([H:8])[H:11],"InChI=1S/C5H4N2/c1-2-5-3-4-6-7-5/h1,3-4H,(H,6,7)","InChI=1S/C5H4N2/c1-2-5-3-4-6-7-5/h3-4H,1H2",61.96856999999999,22.007929999999998,
16072,[C:1](#[C:2][c:3]1[c:4]([H:9])[c:5]([H:10])[n:6][n:7]1[H:11])[H:8],[C+:1](=[C:2]=[C:3]1[C:4]([H:9])=[C-:5][N:6]([H:10])[N:7]1[H:11])[H:8],"InChI=1S/C5H4N2/c1-2-5-3-4-6-7-5/h1,3-4H,(H,6,7)","InChI=1S/C5H4N2/c1-2-5-3-4-6-7-5/h1,3,6-7H",78.59246999999999,55.58634,
16073,[C:1](#[C:2][c:3]1[c:4]([H:9])[c:5]([H:10])[n:6][n:7]1[H:11])[H:8],[C:1](=[C:2]=[C:3]1[C+:4]=[C:5]([H:10])[N-:6][N:7]1[H:11])([H:8])[H:9],"InChI=1S/C5H4N2/c1-2-5-3-4-6-7-5/h1,3-4H,(H,6,7)","InChI=1S/C5H4N2/c1-2-5-3-4-6-7-5/h4,7H,1H2",97.05578,68.65375999999999,
16074,[C:1](#[C:2][c:3]1[c:4]([H:9])[c:5]([H:10])[n:6][n:7]1[H:11])[H:8],[C:1](#[C:2][C@@:4]1([H:9])[C:3][N:7]([H:11])[N:6]=[C:5]1[H:10])[H:8],"InChI=1S/C5H4N2/c1-2-5-3-4-6-7-5/h1,3-4H,(H,6,7)","InChI=1S/C5H4N2/c1-2-5-3-6-7-4-5/h1,3,5,7H/t5-/m1/s1",76.26326,65.83922,
16075,[C:1](#[C:2][c:3]1[c:4]([H:9])[c:5]([H:10])[n:6][n:7]1[H:11])[H:8],[C:1](#[C:2][C@:3]1([H:9])[C+:4]=[C:5]([H:10])[N-:6][N:7]1[H:11])[H:8],"InChI=1S/C5H4N2/c1-2-5-3-4-6-7-5/h1,3-4H,(H,6,7)","InChI=1S/C5H4N2/c1-2-5-3-4-6-7-5/h1,4-5,7H/t5-/m1/s1",84.36805,84.95874,Singlet_Carbene_Intra_Disproportionation
16076,[C:1](#[C:2][c:3]1[c:4]([H:9])[c:5]([H:10])[n:6][n:7]1[H:11])[H:8],[C-:1]#[C:2][c:3]1[c:4]([H:9])[c+:5]([H:10])[n:6]([H:8])[n:7]1[H:11],"InChI=1S/C5H4N2/c1-2-5-3-4-6-7-5/h1,3-4H,(H,6,7)","InChI=1S/C5H4N2/c1-2-5-3-4-6-7-5/h3-4,6-7H",126.54011000000001,60.114419999999996,
16077,[C:1](#[C:2][c:3]1[c:4]([H:9])[c:5]([H:10])[n:6][n:7]1[H:11])[H:8],[C:1]1([H:8])=[C+:2][C@@:3]12[C:4]([H:9])=[C:5]([H:10])[N-:6][N:7]2[H:11],"InChI=1S/C5H4N2/c1-2-5-3-4-6-7-5/h1,3-4H,(H,6,7)","InChI=1S/C5H4N2/c1-2-5(1)3-4-6-7-5/h1,3-4,7H/t5-/m1/s1",50.98377,52.05155,
16078,[C:1](#[C:2][c:3]1[c:4]([H:9])[c:5]([H:10])[n:6][n:7]1[H:11])[H:8],[C:1](#[C:2]/[C:3]([C@@:4]1([H:9])[C:5]([H:10])=[N:6]1)=[N:7]\[H:11])[H:8],"InChI=1S/C5H4N2/c1-2-5-3-4-6-7-5/h1,3-4H,(H,6,7)","InChI=1S/C5H4N2/c1-2-4(6)5-3-7-5/h1,3,5-6H/b6-4+/t5-/m1/s1",79.82221,43.99545,
16079,[C:1](#[C:2][c:3]1[c:4]([H:9])[c:5]([H:10])[n:6][n:7]1[H:11])[H:8],[C-:1]#[C:2][C+:3]1[C:4]([H:8])([H:9])[C:5]([H:10])=[N:6][N:7]1[H:11],"InChI=1S/C5H4N2/c1-2-5-3-4-6-7-5/h1,3-4H,(H,6,7)","InChI=1S/C5H4N2/c1-2-5-3-4-6-7-5/h4,7H,3H2",94.29687,59.454809999999995,
16080,[C:1](#[C:2][c:3]1[c:4]([H:9])[c:5]([H:10])[n:6][n:7]1[H:11])[H:8],[C:1](#[C:2][C:3]1=[C+:4][C:5]([H:9])([H:10])[N-:6][N:7]1[H:11])[H:8],"InChI=1S/C5H4N2/c1-2-5-3-4-6-7-5/h1,3-4H,(H,6,7)","InChI=1S/C5H4N2/c1-2-5-3-4-6-7-5/h1,7H,4H2",81.90129,79.68065,
16081,[C:1](#[C:2][c:3]1[c:4]([H:9])[c:5]([H:10])[n:6][n:7]1[H:11])[H:8],[C+:1]1([H:8])[C:2]2=[C-:3][N:7]([H:11])[N:6]=[C:5]([H:10])[C@:4]12[H:9],"InChI=1S/C5H4N2/c1-2-5-3-4-6-7-5/h1,3-4H,(H,6,7)","InChI=1S/C5H4N2/c1-4-2-6-7-3-5(1)4/h1-2,4,7H/t4-/m0/s1",100.428,80.0108,
16082,[C:1](#[C:2][c:3]1[c:4]([H:9])[c:5]([H:10])[n:6][n:7]1[H:11])[H:8],[C:1](=[C:2])([c:3]1[c:4]([H:9])[c:5]([H:10])[n:6][n:7]1[H:11])[H:8],"InChI=1S/C5H4N2/c1-2-5-3-4-6-7-5/h1,3-4H,(H,6,7)","InChI=1S/C5H4N2/c1-2-5-3-4-6-7-5/h2-4H,(H,6,7)",50.97482,55.151140000000005,Singlet_Carbene_Intra_Disproportionation
16083,[C:1]1([H:8])([H:9])[C@:2]2([H:10])[O:3][C@:4]3([H:11])[C:5]([H:12])([H:13])[N:6]1[C@:7]23[H:14],[C:1]1([H:9])=[N+:6]([C-:5]([H:12])[H:13])[C@@:7]2([H:14])[C@:2]1([H:10])[O:3][C:4]2([H:8])[H:11],"InChI=1S/C5H7NO/c1-3-5-4(7-3)2-6(1)5/h3-5H,1-2H2/t3-,4+,5+","InChI=1S/C5H7NO/c1-6-2-5-4(6)3-7-5/h2,4-5H,1,3H2/t4-,5-/m1/s1",62.008469999999996,10.26935,
16084,[C:1]1([H:8])([H:9])[C@:2]2([H:10])[O:3][C@:4]3([H:11])[C:5]([H:12])([H:13])[N:6]1[C@:7]23[H:14],[C:1]1([H:8])([H:9])[C:2]([H:10])=[C:7]([H:14])[N:6]1[C:5]([C:4](=[O:3])[H:11])([H:12])[H:13],"InChI=1S/C5H7NO/c1-3-5-4(7-3)2-6(1)5/h3-5H,1-2H2/t3-,4+,5+","InChI=1S/C5H7NO/c7-5-4-6-2-1-3-6/h1-2,5H,3-4H2",38.69437,-25.4307,
16085,[C:1]1([H:8])([H:9])[C@:2]2([H:10])[O:3][C@:4]3([H:11])[C:5]([H:12])([H:13])[N:6]1[C@:7]23[H:14],[C:1]1([H:8])([H:9])[C:5]([H:12])([H:13])[N:6]1[C:7]1([H:14])[C-:2]([H:10])[O+:3]=[C:4]1[H:11],"InChI=1S/C5H7NO/c1-3-5-4(7-3)2-6(1)5/h3-5H,1-2H2/t3-,4+,5+","InChI=1S/C5H7NO/c1-2-6(1)5-3-7-4-5/h3-5H,1-2H2",123.84022,47.69769,
16086,[C:1]1([H:8])([H:9])[C@:2]2([H:10])[O:3][C@:4]3([H:11])[C:5]([H:12])([H:13])[N:6]1[C@:7]23[H:14],[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[O:3][C@@:4]([H:11])([C:5]([H:12])([H:13])[N:6]1[H:14])[C:7]2,"InChI=1S/C5H7NO/c1-3-5-4(7-3)2-6(1)5/h3-5H,1-2H2/t3-,4+,5+","InChI=1S/C5H7NO/c1-4-2-6-3-5(1)7-4/h4-6H,2-3H2/t4-,5+",55.36453,43.754459999999995,
16087,[C:1]1([H:8])([H:9])[C@:2]2([H:10])[O:3][C@:4]3([H:11])[C:5]([H:12])([H:13])[N:6]1[C@:7]23[H:14],[C:1]1([H:8])([H:9])[C:2]2([H:10])[O+:3]=[C-:4][C:5]([H:12])([H:13])[N:6]1[C:7]2([H:11])[H:14],"InChI=1S/C5H7NO/c1-3-5-4(7-3)2-6(1)5/h3-5H,1-2H2/t3-,4+,5+","InChI=1S/C5H7NO/c1-2-7-5-3-6(1)4-5/h5H,1,3-4H2",69.41709,20.69275,
16088,[C:1]1([H:8])([H:9])[C@:2]2([H:10])[O:3][C@:4]3([H:11])[C:5]([H:12])([H:13])[N:6]1[C@:7]23[H:14],[C:1]1([H:8])([H:9])[C@:2]([O:3][C:4](=[C:5]([H:12])[H:13])[H:11])([H:10])[C:7]([H:14])=[N:6]1,"InChI=1S/C5H7NO/c1-3-5-4(7-3)2-6(1)5/h3-5H,1-2H2/t3-,4+,5+","InChI=1S/C5H7NO/c1-2-7-5-3-6-4-5/h2-3,5H,1,4H2/t5-/m0/s1",65.578,-21.87047,
16089,[C:1]1([H:8])([H:9])[C@:2]2([H:10])[O:3][C@:4]3([H:11])[C:5]([H:12])([H:13])[N:6]1[C@:7]23[H:14],[C:1]1([H:8])([H:9])[C@:2]2([H:10])[O:3][C@:4]([H:11])([C:5]1([H:12])[H:13])[C@@:7]2([N:6])[H:14],"InChI=1S/C5H7NO/c1-3-5-4(7-3)2-6(1)5/h3-5H,1-2H2/t3-,4+,5+","InChI=1S/C5H7NO/c6-5-3-1-2-4(5)7-3/h3-5H,1-2H2/t3-,4+,5+",99.94903000000001,29.308690000000002,
16090,[C:1]1([H:8])([H:9])[C@:2]2([H:10])[O:3][C@:4]3([H:11])[C:5]([H:12])([H:13])[N:6]1[C@:7]23[H:14],[C:1]1([H:8])([H:9])[C:5]([H:12])([H:13])[C@:4]2([H:11])[O:3][C@:2]3([H:10])[N:6]1[C@@:7]32[H:14],"InChI=1S/C5H7NO/c1-3-5-4(7-3)2-6(1)5/h3-5H,1-2H2/t3-,4+,5+","InChI=1S/C5H7NO/c1-2-6-4-3(1)7-5(4)6/h3-5H,1-2H2/t3-,4+,5-,6?/m0/s1",98.23732,-20.76315,
16091,[C:1]1([H:8])([H:9])[C@:2]2([H:10])[O:3][C@:4]3([H:11])[C:5]([H:12])([H:13])[N:6]1[C@:7]23[H:14],[C:1]1([H:8])([H:9])[C@@:2]2([H:10])[O:3][C@@:4]3([H:11])[C-:5]([H:13])[N+:6]1=[C:7]23.[H:12][H:14],"InChI=1S/C5H7NO/c1-3-5-4(7-3)2-6(1)5/h3-5H,1-2H2/t3-,4+,5+","InChI=1S/C5H5NO.H2/c1-3-5-4(7-3)2-6(1)5;/h1,3-4H,2H2;1H/t3-,4+;/m0./s1",89.12665,84.6686,
16092,[C:1]1([H:8])([H:9])[C@:2]2([H:10])[O:3][C@:4]3([H:11])[C:5]([H:12])([H:13])[N:6]1[C@:7]23[H:14],[C:1]([C@@:2]12[O:3][C@@:4]3([H:11])[C:5]([H:12])([H:13])[N:6]1[C@@:7]23[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H7NO/c1-3-5-4(7-3)2-6(1)5/h3-5H,1-2H2/t3-,4+,5+","InChI=1S/C5H7NO/c1-5-4-3(7-5)2-6(4)5/h3-4H,2H2,1H3/t3-,4+,5-,6?/m0/s1",84.84504,-0.99985,
16093,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[C:4]([H:14])([H:15])[N:5]([H:16])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])=[C:6]([N:5]([C+:4]([H:14])[H:15])[H:16])[O-:7])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-5(2)3-6-4(5)7/h3H2,1-2H3,(H,6,7)","InChI=1S/C5H9NO/c1-4(2)5(7)6-3/h6H,3H2,1-2H3",47.11038,42.2921,
16094,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[C:4]([H:14])([H:15])[N:5]([H:16])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4]([H:14])([H:15])[H:16])[N:5]=[C:6]=[O:7])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-5(2)3-6-4(5)7/h3H2,1-2H3,(H,6,7)","InChI=1S/C5H9NO/c1-5(2,3)6-4-7/h1-3H3",66.81755,-12.83811,
16095,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[C:4]([H:14])([H:15])[N:5]([H:16])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([C@@:2]12[C:3]([H:11])([H:13])[C@:4]1([H:14])[N:5]([H:16])[C:6]2=[O:7])([H:8])([H:9])[H:10].[H:12][H:15],"InChI=1S/C5H9NO/c1-5(2)3-6-4(5)7/h3H2,1-2H3,(H,6,7)","InChI=1S/C5H7NO.H2/c1-5-2-3(5)6-4(5)7;/h3H,2H2,1H3,(H,6,7);1H/t3-,5+;/m0./s1",102.83357,44.37059,
16096,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[C:4]([H:14])([H:15])[N:5]([H:16])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[C:4]([H:14])([H:15])[N:5]=[C:6]1[O:7][H:16])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-5(2)3-6-4(5)7/h3H2,1-2H3,(H,6,7)","InChI=1S/C5H9NO/c1-5(2)3-6-4(5)7/h3H2,1-2H3,(H,6,7)",58.23075,16.473370000000003,ketoenol
16097,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[C:4]([H:14])([H:15])[N:5]([H:16])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([C:6]([C:3]([H:11])([H:12])[H:13])=[O:7])[C:4]([H:14])([H:15])[N:5]1[H:16])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-5(2)3-6-4(5)7/h3H2,1-2H3,(H,6,7)","InChI=1S/C5H9NO/c1-4(7)5(2)3-6-5/h6H,3H2,1-2H3/t5-/m0/s1",86.88651999999999,21.70476,
16098,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[C:4]([H:14])([H:15])[N:5]([H:16])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([C@:2]1([C:4]([N:5]([H:12])[H:16])([H:14])[H:15])[C:3]([H:11])([H:13])[C:6]1=[O:7])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-5(2)3-6-4(5)7/h3H2,1-2H3,(H,6,7)","InChI=1S/C5H9NO/c1-5(3-6)2-4(5)7/h2-3,6H2,1H3/t5-/m1/s1",81.91513,36.55267,
16099,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[C:4]([H:14])([H:15])[N:5]([H:16])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])(/[C:4](=[N:5]/[H:16])[H:14])[C:6](=[O:7])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-5(2)3-6-4(5)7/h3H2,1-2H3,(H,6,7)","InChI=1S/C5H9NO/c1-5(2,3-6)4-7/h3-4,6H,1-2H3/b6-3+",80.29341,12.64948,
16100,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[C:4]([H:14])([H:15])[N:5]([H:16])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[C-:4]([H:15])[N:5]([H:16])[C+:6]1[O:7][H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-5(2)3-6-4(5)7/h3H2,1-2H3,(H,6,7)","InChI=1S/C5H9NO/c1-5(2)3-6-4(5)7/h3,6-7H,1-2H3",104.09900999999999,71.08655,
16101,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[C:4]([H:14])([H:15])[N:5]([H:16])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C-:1]([O+:7]=[C:6]1[C@@:2]([C:3]([H:11])([H:12])[H:13])([H:9])[C:4]([H:14])([H:15])[N:5]1[H:16])([H:8])[H:10],"InChI=1S/C5H9NO/c1-5(2)3-6-4(5)7/h3H2,1-2H3,(H,6,7)","InChI=1S/C5H9NO/c1-4-3-6-5(4)7-2/h4,6H,2-3H2,1H3/t4-/m1/s1",106.55231,89.17456999999999,
16102,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[C:4]([H:14])([H:15])[N:5]([H:16])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])=[C:4]([H:14])[H:15])([H:8])([H:9])[H:10].[N:5](=[C:6]=[O:7])[H:16],"InChI=1S/C5H9NO/c1-5(2)3-6-4(5)7/h3H2,1-2H3,(H,6,7)","InChI=1S/C4H8.CHNO/c1-4(2)3;2-1-3/h1H2,2-3H3;2H",41.84993,3.5067,
16103,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[C:4]([H:14])([H:15])[N:5]([H:16])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:6]([N+:5](=[C-:4][H:15])[H:16])=[O:7])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-5(2)3-6-4(5)7/h3H2,1-2H3,(H,6,7)","InChI=1S/C5H9NO/c1-4(2)5(7)6-3/h3-4,6H,1-2H3",76.82853,47.15202,
16104,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[C:4]([H:14])([H:15])[N:5]([H:16])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])=[C:6]=[O:7])([H:8])([H:9])[H:10].[C:4](=[N:5][H:16])([H:14])[H:15],"InChI=1S/C5H9NO/c1-5(2)3-6-4(5)7/h3H2,1-2H3,(H,6,7)","InChI=1S/C4H6O.CH3N/c1-4(2)3-5;1-2/h1-2H3;2H,1H2",47.109390000000005,34.98976,
16105,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[C:4]([H:14])([H:15])[N:5]([H:16])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([O:7][C:6]1=[C:2]([C:3]([H:11])([H:12])[H:13])[C:4]([H:14])([H:15])[N:5]1[H:16])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-5(2)3-6-4(5)7/h3H2,1-2H3,(H,6,7)","InChI=1S/C5H9NO/c1-4-3-6-5(4)7-2/h6H,3H2,1-2H3",96.9076,44.22009,ketoenol
16106,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[C:4]([H:14])([H:15])[N:5]([H:16])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([C:6]1=[O+:7][C-:2]([C:3]([H:11])([H:12])[H:13])[C:4]([H:14])([H:15])[N:5]1[H:16])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-5(2)3-6-4(5)7/h3H2,1-2H3,(H,6,7)","InChI=1S/C5H9NO/c1-4-3-6-5(2)7-4/h6H,3H2,1-2H3",96.19296,58.906659999999995,
16107,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[C:4]([H:14])([H:15])[N:5]([H:16])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1](=[C:2]1[C:3]([H:11])([H:13])[C:6](=[O:7])[N:5]([H:16])[C:4]1([H:14])[H:15])([H:8])[H:10].[H:9][H:12],"InChI=1S/C5H9NO/c1-5(2)3-6-4(5)7/h3H2,1-2H3,(H,6,7)","InChI=1S/C5H7NO.H2/c1-4-2-5(7)6-3-4;/h1-3H2,(H,6,7);1H",94.33341,14.968079999999999,
16108,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[C:4]([H:14])([H:15])[N:5]([H:16])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4][H:15])[C:6]([N:5]([H:14])[H:16])=[O:7])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-5(2)3-6-4(5)7/h3H2,1-2H3,(H,6,7)","InChI=1S/C5H9NO/c1-5(2,3)4(6)7/h1H,2-3H3,(H2,6,7)",71.91383,73.8778,
16109,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[C:4]([H:14])([H:15])[N:5]([H:16])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([C:2]([C:4]([N:5]([C:3]([H:11])([H:12])[H:13])[H:16])([H:14])[H:15])=[C:6]=[O:7])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-5(2)3-6-4(5)7/h3H2,1-2H3,(H,6,7)","InChI=1S/C5H9NO/c1-5(4-7)3-6-2/h6H,3H2,1-2H3",93.23362,25.02017,
16110,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[C:4]([H:14])([H:15])[N:5]([H:16])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([C:2]([C+:3]([H:11])[H:13])=[C:6]([N:5]([C-:4]([H:14])[H:15])[H:16])[O:7][H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-5(2)3-6-4(5)7/h3H2,1-2H3,(H,6,7)","InChI=1S/C5H9NO/c1-4(2)5(7)6-3/h6-7H,1,3H2,2H3",81.87203000000001,51.14995,
16111,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[C:4]([H:14])([H:15])[N:5]([H:16])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C-:6]#[O+:7].[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])(/[C:4](=[N:5]/[H:16])[H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-5(2)3-6-4(5)7/h3H2,1-2H3,(H,6,7)","InChI=1S/C4H9N.CO/c1-4(2)3-5;1-2/h3-5H,1-2H3;/b5-3+;",74.71542,11.7328,
16112,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[C:4]([H:14])([H:15])[N:5]([H:16])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]([H:11])[H:13])[C:4]([N:5]([C:6](=[O:7])[H:12])[H:16])([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-5(2)3-6-4(5)7/h3H2,1-2H3,(H,6,7)","InChI=1S/C5H9NO/c1-5(2)3-6-4-7/h4H,1,3H2,2H3,(H,6,7)",87.53119000000001,2.92502,
16113,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[C:4]([H:14])([H:15])[N:5]([H:16])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[C:6]([N:5]([C-:4]([H:14])[H:15])[H:16])=[O+:7]1)([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-5(2)3-6-4(5)7/h3H2,1-2H3,(H,6,7)","InChI=1S/C5H9NO/c1-5(2)4(6-3)7-5/h6H,3H2,1-2H3",83.70436,76.6585,
16114,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[C:4]([H:14])([H:15])[N:5]([H:16])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1](=[C:2]([C:3]([H:11])([H:12])[H:13])[C:4]([N:5]=[C:6]=[O:7])([H:14])[H:15])([H:8])[H:10].[H:9][H:16],"InChI=1S/C5H9NO/c1-5(2)3-6-4(5)7/h3H2,1-2H3,(H,6,7)","InChI=1S/C5H7NO.H2/c1-5(2)3-6-4-7;/h1,3H2,2H3;1H",94.13569,20.52028,
16115,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[C:4]([H:14])([H:15])[N:5]([H:16])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([H:11])([H:12])[H:13])([C:4]([H:14])([H:15])[H:16])[C:6](=[N:5])[O:7])([H:8])([H:9])[H:10],"InChI=1S/C5H9NO/c1-5(2)3-6-4(5)7/h3H2,1-2H3,(H,6,7)","InChI=1S/C5H9NO/c1-5(2,3)4(6)7/h1-3H3",66.82589,58.6831,
16116,[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[C:4]([H:14])([H:15])[N:5]([H:16])[C:6]1=[O:7])([H:8])([H:9])[H:10],[C:1]([C:2]1([C:3]([H:11])([H:12])[H:13])[C-:4]=[N+:5]([H:16])[C:6]1=[O:7])([H:8])([H:9])[H:10].[H:14][H:15],"InChI=1S/C5H9NO/c1-5(2)3-6-4(5)7/h3H2,1-2H3,(H,6,7)","InChI=1S/C5H7NO.H2/c1-5(2)3-6-4(5)7;/h6H,1-2H3;1H",79.88031,71.03103,
16117,[C:1]([N:2](/[C:3](=[N:4]\[H:12])[C:5](=[O:6])[C:7]([H:13])([H:14])[H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([N:2]([C+:3]([N:4]([H:12])[H:13])[C:5]([O-:6])=[C:7]([H:14])[H:15])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H8N2O/c1-3(7)4(5)6-2/h1-2H3,(H2,5,6)","InChI=1S/C4H8N2O/c1-3(7)4(5)6-2/h6H,1,5H2,2H3",35.03029,22.05762,
16118,[C:1]([N:2](/[C:3](=[N:4]\[H:12])[C:5](=[O:6])[C:7]([H:13])([H:14])[H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([N:2]([H:11])[H:12])([H:8])([H:9])[H:10].[C:3](#[N:4])[C:5](=[O:6])[C:7]([H:13])([H:14])[H:15],"InChI=1S/C4H8N2O/c1-3(7)4(5)6-2/h1-2H3,(H2,5,6)","InChI=1S/C3H3NO.CH5N/c1-3(5)2-4;1-2/h1H3;2H2,1H3",57.31098000000001,25.94649,
16119,[C:1]([N:2](/[C:3](=[N:4]\[H:12])[C:5](=[O:6])[C:7]([H:13])([H:14])[H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([O:6][C@:5]1([C:7]([H:13])([H:14])[H:15])/[C:3](=[N:2]\[H:11])[N:4]1[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H8N2O/c1-3(7)4(5)6-2/h1-2H3,(H2,5,6)","InChI=1S/C4H8N2O/c1-4(7-2)3(5)6-4/h1-2H3,(H2,5,6)/t4-/m1/s1",80.83423,45.567679999999996,
16120,[C:1]([N:2](/[C:3](=[N:4]\[H:12])[C:5](=[O:6])[C:7]([H:13])([H:14])[H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([N:2](/[C:3](=[N:4]\[H:12])[H:13])[H:11])([H:8])([H:9])[H:10].[C:5](=[O:6])=[C:7]([H:14])[H:15],"InChI=1S/C4H8N2O/c1-3(7)4(5)6-2/h1-2H3,(H2,5,6)","InChI=1S/C2H6N2.C2H2O/c1-4-2-3;1-2-3/h2H,1H3,(H2,3,4);1H2",77.93223,30.110529999999997,
16121,[C:1]([N:2](/[C:3](=[N:4]\[H:12])[C:5](=[O:6])[C:7]([H:13])([H:14])[H:15])[H:11])([H:8])([H:9])[H:10],[C+:1]([N:2]([C:3]([N-:4][H:12])=[C:5]([O:6][H:9])[C:7]([H:13])([H:14])[H:15])[H:11])([H:8])[H:10],"InChI=1S/C4H8N2O/c1-3(7)4(5)6-2/h1-2H3,(H2,5,6)","InChI=1S/C4H8N2O/c1-3(7)4(5)6-2/h5-7H,2H2,1H3",79.61678,59.30763,
16122,[C:1]([N:2](/[C:3](=[N:4]\[H:12])[C:5](=[O:6])[C:7]([H:13])([H:14])[H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([N+:2](=[C-:3][N:4]([C:5](=[O:6])[C:7]([H:13])([H:14])[H:15])[H:12])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H8N2O/c1-3(7)4(5)6-2/h1-2H3,(H2,5,6)","InChI=1S/C4H8N2O/c1-4(7)6-3-5-2/h5H,1-2H3,(H,6,7)",47.01444,23.72109,
16123,[C:1]([N:2](/[C:3](=[N:4]\[H:12])[C:5](=[O:6])[C:7]([H:13])([H:14])[H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([N:2]([C:3]([N:4]([C:7]([H:13])([H:14])[H:15])[H:12])=[C:5]=[O:6])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H8N2O/c1-3(7)4(5)6-2/h1-2H3,(H2,5,6)","InChI=1S/C4H8N2O/c1-5-4(3-7)6-2/h5-6H,1-2H3",83.19759,39.83471,
16124,[C:1]([N:2](/[C:3](=[N:4]\[H:12])[C:5](=[O:6])[C:7]([H:13])([H:14])[H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([N:2]([C:7]([H:13])([H:14])[H:15])[H:11])([H:8])([H:9])[H:10].[C:3](=[N:4][H:12])=[C:5]=[O:6],"InChI=1S/C4H8N2O/c1-3(7)4(5)6-2/h1-2H3,(H2,5,6)","InChI=1S/C2HNO.C2H7N/c3-1-2-4;1-3-2/h3H;3H,1-2H3",102.61591999999999,70.90824,
16125,[C:1]([N:2](/[C:3](=[N:4]\[H:12])[C:5](=[O:6])[C:7]([H:13])([H:14])[H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([N:2](/[C:3](=[N:4]\[H:12])[C-:5]=[O+:6][C:7]([H:13])([H:14])[H:15])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H8N2O/c1-3(7)4(5)6-2/h1-2H3,(H2,5,6)","InChI=1S/C4H8N2O/c1-6-4(5)3-7-2/h1-2H3,(H2,5,6)",113.6302,76.81241999999999,
16126,[C:1]([N:2](/[C:3](=[N:4]\[H:12])[C:5](=[O:6])[C:7]([H:13])([H:14])[H:15])[H:11])([H:8])([H:9])[H:10],[C+:1]([N:2]([C:3]([N:4]([H:9])[H:12])=[C:5]([O-:6])[C:7]([H:13])([H:14])[H:15])[H:11])([H:8])[H:10],"InChI=1S/C4H8N2O/c1-3(7)4(5)6-2/h1-2H3,(H2,5,6)","InChI=1S/C4H8N2O/c1-3(7)4(5)6-2/h6H,2,5H2,1H3",48.94146,23.41522,
16127,[C:1]([N:2](/[C:3](=[N:4]\[H:12])[C:5](=[O:6])[C:7]([H:13])([H:14])[H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([N:2]=[C:3]=[N:4][C:5](=[O:6])[C:7]([H:13])([H:14])[H:15])([H:8])([H:9])[H:10].[H:11][H:12],"InChI=1S/C4H8N2O/c1-3(7)4(5)6-2/h1-2H3,(H2,5,6)",InChI=1S/C4H6N2O.H2/c1-4(7)6-3-5-2;/h1-2H3;1H,82.95528,23.74184,
16128,[C:1]([N:2](/[C:3](=[N:4]\[H:12])[C:5](=[O:6])[C:7]([H:13])([H:14])[H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([N:2]([C:3](/[C:5](=[N:4]/[H:12])[C:7]([H:13])([H:14])[H:15])=[O:6])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H8N2O/c1-3(7)4(5)6-2/h1-2H3,(H2,5,6)","InChI=1S/C4H8N2O/c1-3(5)4(7)6-2/h5H,1-2H3,(H,6,7)/b5-3+",81.12716999999999,-0.9425399999999999,
16129,[C:1]([N:2](/[C:3](=[N:4]\[H:12])[C:5](=[O:6])[C:7]([H:13])([H:14])[H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([N:2](/[C:3](=[N:4]\[H:12])[C:5]([O:6][H:13])=[C:7]([H:14])[H:15])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H8N2O/c1-3(7)4(5)6-2/h1-2H3,(H2,5,6)","InChI=1S/C4H8N2O/c1-3(7)4(5)6-2/h7H,1H2,2H3,(H2,5,6)",66.07588,12.49665,ketoenol
16130,[C:1]([N:2](/[C:3](=[N:4]\[H:12])[C:5](=[O:6])[C:7]([H:13])([H:14])[H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([N:2](/[C:3](=[N:4]\[H:12])[O+:6]=[C-:5][C:7]([H:13])([H:14])[H:15])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H8N2O/c1-3(7)4(5)6-2/h1-2H3,(H2,5,6)","InChI=1S/C4H8N2O/c1-3-7-4(5)6-2/h1-2H3,(H2,5,6)",86.40665,63.26433000000001,
16131,[C:1]([N:2](/[C:3](=[N:4]\[H:12])[C:5](=[O:6])[C:7]([H:13])([H:14])[H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([N:2]([C:3]#[N:4])[H:11])([H:8])([H:9])[H:10].[C:5](=[O:6])([C:7]([H:13])([H:14])[H:15])[H:12],"InChI=1S/C4H8N2O/c1-3(7)4(5)6-2/h1-2H3,(H2,5,6)","InChI=1S/C2H4N2.C2H4O/c1-4-2-3;1-2-3/h4H,1H3;2H,1H3",78.36861999999999,28.23644,
16132,[C:1]([N:2](/[C:3](=[N:4]\[H:12])[C:5](=[O:6])[C:7]([H:13])([H:14])[H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([N:2]([C:3]([N:4]([O-:6])[H:12])=[C+:5][C:7]([H:13])([H:14])[H:15])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H8N2O/c1-3(7)4(5)6-2/h1-2H3,(H2,5,6)","InChI=1S/C4H8N2O/c1-3-4(5-2)6-7/h5-6H,1-2H3",122.55179,124.924,
16133,[C:1]([N:2](/[C:3](=[N:4]\[H:12])[C:5](=[O:6])[C:7]([H:13])([H:14])[H:15])[H:11])([H:8])([H:9])[H:10],[C:1](/[N:2]=[C:3](/[N:4]([H:11])[H:12])[C:5](=[O:6])[C:7]([H:13])([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C4H8N2O/c1-3(7)4(5)6-2/h1-2H3,(H2,5,6)","InChI=1S/C4H8N2O/c1-3(7)4(5)6-2/h1-2H3,(H2,5,6)",44.75897,8.28037,
16134,[C:1]([N:2](/[C:3](=[N:4]\[H:12])[C:5](=[O:6])[C:7]([H:13])([H:14])[H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([N:2]([c:3]1[n:4]([H:12])[o:6][c:5]1[C:7]([H:13])([H:14])[H:15])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H8N2O/c1-3(7)4(5)6-2/h1-2H3,(H2,5,6)","InChI=1S/C4H8N2O/c1-3-4(5-2)6-7-3/h5-6H,1-2H3",87.07005,77.9215,
16135,[C:1]([N:2](/[C:3](=[N:4]\[H:12])[C:5](=[O:6])[C:7]([H:13])([H:14])[H:15])[H:11])([H:8])([H:9])[H:10],[C:1]([N:2]([C+:3]=[C:5]([O:6][N-:4][H:12])[C:7]([H:13])([H:14])[H:15])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H8N2O/c1-3(7)4(5)6-2/h1-2H3,(H2,5,6)","InChI=1S/C4H8N2O/c1-4(7-5)3-6-2/h5-6H,1-2H3",111.97681999999999,116.24001000000001,ketoenol
16136,[N:1]#[C:2][C@@:3]1([H:8])[O:4][C@@:5]2([H:9])[C:6]([H:10])([H:11])[C@@:7]12[H:12],[N:1]1([H:11])[C:2][C@@:3]2([H:8])[O:4][C@@:5]3([H:9])[C@:6]1([H:10])[C@@:7]23[H:12],"InChI=1S/C5H5NO/c6-2-5-3-1-4(3)7-5/h3-5H,1H2/t3-,4+,5-/m1/s1","InChI=1S/C5H5NO/c1-2-3-4(6-1)5(3)7-2/h2-6H/t2-,3-,4+,5-/m1/s1",81.00402,48.30036,
16137,[N:1]#[C:2][C@@:3]1([H:8])[O:4][C@@:5]2([H:9])[C:6]([H:10])([H:11])[C@@:7]12[H:12],[N:1](=[C-:2][C@@:3]1([H:8])[O:4][C@@:5]2([H:9])[C:6]([H:10])([H:11])[C+:7]12)[H:12],"InChI=1S/C5H5NO/c6-2-5-3-1-4(3)7-5/h3-5H,1H2/t3-,4+,5-/m1/s1","InChI=1S/C5H5NO/c6-2-5-3-1-4(3)7-5/h4-6H,1H2/t4-,5+/m0/s1",87.02972,90.36225,
16138,[N:1]#[C:2][C@@:3]1([H:8])[O:4][C@@:5]2([H:9])[C:6]([H:10])([H:11])[C@@:7]12[H:12],[N:1]1=[C-:2][C@@:3]2([H:8])[O+:4]=[C:5]([H:9])[C@@:7]2([H:12])[C:6]1([H:10])[H:11],"InChI=1S/C5H5NO/c6-2-5-3-1-4(3)7-5/h3-5H,1H2/t3-,4+,5-/m1/s1","InChI=1S/C5H5NO/c1-4-3-7-5(4)2-6-1/h3-5H,1H2/t4-,5-/m1/s1",64.84418000000001,59.3196,
16139,[N:1]#[C:2][C@@:3]1([H:8])[O:4][C@@:5]2([H:9])[C:6]([H:10])([H:11])[C@@:7]12[H:12],[N-:1]=[C:2]([C@@:3]1([H:8])[O:4][C@@:5]2([H:9])[C:6]([H:10])([H:11])[C+:7]12)[H:12],"InChI=1S/C5H5NO/c6-2-5-3-1-4(3)7-5/h3-5H,1H2/t3-,4+,5-/m1/s1","InChI=1S/C5H5NO/c6-2-5-3-1-4(3)7-5/h2,4-5H,1H2/t4-,5+/m0/s1",96.33394,86.55396,
16140,[N:1]#[C:2][C@@:3]1([H:8])[O:4][C@@:5]2([H:9])[C:6]([H:10])([H:11])[C@@:7]12[H:12],[N:1](=[C:2]=[C:3]([O:4][C:5]1([H:9])[C:6]([H:10])=[C:7]1[H:12])[H:8])[H:11],"InChI=1S/C5H5NO/c6-2-5-3-1-4(3)7-5/h3-5H,1H2/t3-,4+,5-/m1/s1","InChI=1S/C5H5NO/c6-3-4-7-5-1-2-5/h1-2,4-6H",64.05086999999999,35.53883,
16141,[N:1]#[C:2][C@@:3]1([H:8])[O:4][C@@:5]2([H:9])[C:6]([H:10])([H:11])[C@@:7]12[H:12],[N:1]#[C:2][C@@:7]1([H:12])[C:3]([H:8])=[O+:4][C-:5]([H:9])[C:6]1([H:10])[H:11],"InChI=1S/C5H5NO/c6-2-5-3-1-4(3)7-5/h3-5H,1H2/t3-,4+,5-/m1/s1","InChI=1S/C5H5NO/c6-3-5-1-2-7-4-5/h2,4-5H,1H2/t5-/m0/s1",49.48153,12.008560000000001,
16142,[N:1]#[C:2][C@@:3]1([H:8])[O:4][C@@:5]2([H:9])[C:6]([H:10])([H:11])[C@@:7]12[H:12],[N+:1](#[C-:2])[C@@:3]1([H:8])[O:4][C@@:5]2([H:9])[C:6]([H:10])([H:11])[C@@:7]12[H:12],"InChI=1S/C5H5NO/c6-2-5-3-1-4(3)7-5/h3-5H,1H2/t3-,4+,5-/m1/s1","InChI=1S/C5H5NO/c1-6-5-3-2-4(3)7-5/h3-5H,2H2/t3-,4+,5+/m1/s1",55.00962,21.61705,
16143,[N:1]#[C:2][C@@:3]1([H:8])[O:4][C@@:5]2([H:9])[C:6]([H:10])([H:11])[C@@:7]12[H:12],[N:1]#[C:2][C@@:7]1([H:12])[C@:5]([O+:4]=[C-:3][H:8])([H:9])[C:6]1([H:10])[H:11],"InChI=1S/C5H5NO/c6-2-5-3-1-4(3)7-5/h3-5H,1H2/t3-,4+,5-/m1/s1","InChI=1S/C5H5NO/c1-7-5-2-4(5)3-6/h1,4-5H,2H2/t4-,5-/m0/s1",72.77247,43.50447,
16144,[N:1]#[C:2][C@@:3]1([H:8])[O:4][C@@:5]2([H:9])[C:6]([H:10])([H:11])[C@@:7]12[H:12],[N:1]#[C:2][C@@:3]1([H:8])[O:4][C@:5]([C:6][H:11])([H:9])[C:7]1([H:10])[H:12],"InChI=1S/C5H5NO/c6-2-5-3-1-4(3)7-5/h3-5H,1H2/t3-,4+,5-/m1/s1","InChI=1S/C5H5NO/c1-4-2-5(3-6)7-4/h1,4-5H,2H2/t4-,5-/m0/s1",63.94314,63.56293,
16145,[N:1]#[C:2][C@@:3]1([H:8])[O:4][C@@:5]2([H:9])[C:6]([H:10])([H:11])[C@@:7]12[H:12],[N:1]#[C:2][C@@:3]1([H:8])[O:4][C:5]([H:9])([H:10])[C@:7]1([C:6][H:11])[H:12],"InChI=1S/C5H5NO/c6-2-5-3-1-4(3)7-5/h3-5H,1H2/t3-,4+,5-/m1/s1","InChI=1S/C5H5NO/c1-4-3-7-5(4)2-6/h1,4-5H,3H2/t4-,5-/m1/s1",65.00603000000001,68.89505,
16146,[N:1]#[C:2][C@@:3]1([H:8])[O:4][C@@:5]2([H:9])[C:6]([H:10])([H:11])[C@@:7]12[H:12],[C:5]1([H:9])=[C:7]([H:12])[C:6]1([H:10])[H:11].[N:1]#[C:2][C:3](=[O:4])[H:8],"InChI=1S/C5H5NO/c6-2-5-3-1-4(3)7-5/h3-5H,1H2/t3-,4+,5-/m1/s1","InChI=1S/C3H4.C2HNO/c1-2-3-1;3-1-2-4/h1-2H,3H2;2H",54.8616,26.738329999999998,2+2_cycloaddition
16147,[N:1]#[C:2][C@@:3]1([H:8])[O:4][C@@:5]2([H:9])[C:6]([H:10])([H:11])[C@@:7]12[H:12],[N:1]#[C:2]/[C:3](=[C:7](\[C:6]([C:5](=[O:4])[H:9])([H:10])[H:11])[H:12])[H:8],"InChI=1S/C5H5NO/c6-2-5-3-1-4(3)7-5/h3-5H,1H2/t3-,4+,5-/m1/s1","InChI=1S/C5H5NO/c6-4-2-1-3-5-7/h1-2,5H,3H2/b2-1-",28.71112,-39.851820000000004,
16148,[N:1]#[C:2][C@@:3]1([H:8])[O:4][C@@:5]2([H:9])[C:6]([H:10])([H:11])[C@@:7]12[H:12],[N+:1]1#[C:2][C@@:3]2([H:8])[O:4][C-:5]([H:9])[C:6]([H:10])([H:11])[C@@:7]12[H:12],"InChI=1S/C5H5NO/c6-2-5-3-1-4(3)7-5/h3-5H,1H2/t3-,4+,5-/m1/s1","InChI=1S/C5H5NO/c1-2-7-5-3-6-4(1)5/h2,4-5H,1H2/t4-,5-/m1/s1",73.49545,60.069,
16149,[N:1]#[C:2][C@@:3]1([H:8])[O:4][C@@:5]2([H:9])[C:6]([H:10])([H:11])[C@@:7]12[H:12],[N:1](=[C:2]=[C:3]1[O:4][C@@:5]2([H:9])[C:6]([H:10])([H:11])[C@@:7]12[H:12])[H:8],"InChI=1S/C5H5NO/c6-2-5-3-1-4(3)7-5/h3-5H,1H2/t3-,4+,5-/m1/s1","InChI=1S/C5H5NO/c6-2-5-3-1-4(3)7-5/h3-4,6H,1H2/t3-,4+/m1/s1",91.96053,23.31919,
16150,[N:1]#[C:2][C@@:3]1([H:8])[O:4][C@@:5]2([H:9])[C:6]([H:10])([H:11])[C@@:7]12[H:12],[N:1]#[C:2][C@@:3]1([H:8])[O+:4]=[C-:5][C@:7]1([C:6]([H:9])([H:10])[H:11])[H:12],"InChI=1S/C5H5NO/c6-2-5-3-1-4(3)7-5/h3-5H,1H2/t3-,4+,5-/m1/s1","InChI=1S/C5H5NO/c1-4-3-7-5(4)2-6/h4-5H,1H3/t4-,5-/m1/s1",48.77588,28.94616,
16151,[N:1]#[C:2][C@@:3]1([H:8])[O:4][C@@:5]2([H:9])[C:6]([H:10])([H:11])[C@@:7]12[H:12],[N:1]#[C:2][C@@:3]1([H:8])[O:4][C:5]([H:9])=[C:6]([H:10])[C:7]1([H:11])[H:12],"InChI=1S/C5H5NO/c6-2-5-3-1-4(3)7-5/h3-5H,1H2/t3-,4+,5-/m1/s1","InChI=1S/C5H5NO/c6-4-5-2-1-3-7-5/h1,3,5H,2H2/t5-/m0/s1",63.71062,-32.53668,
16152,[N:1]#[C:2][C@@:3]1([H:8])[O:4][C@@:5]2([H:9])[C:6]([H:10])([H:11])[C@@:7]12[H:12],[N:1]#[C:2][C@@:3]([O:4][H:9])([C@@:7]1([H:12])[C:5][C:6]1([H:10])[H:11])[H:8],"InChI=1S/C5H5NO/c6-2-5-3-1-4(3)7-5/h3-5H,1H2/t3-,4+,5-/m1/s1","InChI=1S/C5H5NO/c6-3-5(7)4-1-2-4/h4-5,7H,1H2/t4-,5-/m1/s1",62.681909999999995,59.71894,
16153,[N:1]#[C:2][C@@:3]1([H:8])[O:4][C@@:5]2([H:9])[C:6]([H:10])([H:11])[C@@:7]12[H:12],[N:1]1=[C:2]([H:11])[C@@:3]([C:7]2([H:12])[C:5]([H:9])=[C:6]2[H:10])([H:8])[O:4]1,"InChI=1S/C5H5NO/c6-2-5-3-1-4(3)7-5/h3-5H,1H2/t3-,4+,5-/m1/s1",InChI=1S/C5H5NO/c1-2-4(1)5-3-6-7-5/h1-5H/t5-/m1/s1,124.51185,60.625719999999994,
16154,[O:1]([C@@:2]([C:3]([C:4]#[N:5])([H:10])[H:11])([C:6]#[C:7][H:12])[H:9])[H:8],[O:1]([C@@:2]1([H:9])[C@@:3]([C:4]#[N:5])([H:11])[C:6]1=[C:7]([H:10])[H:12])[H:8],"InChI=1S/C5H5NO/c1-2-5(7)3-4-6/h1,5,7H,3H2/t5-/m1/s1","InChI=1S/C5H5NO/c1-3-4(2-6)5(3)7/h4-5,7H,1H2/t4-,5-/m1/s1",67.38469,-1.04667,
16155,[O:1]([C@@:2]([C:3]([C:4]#[N:5])([H:10])[H:11])([C:6]#[C:7][H:12])[H:9])[H:8],[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])/[C:4](=[N:5]/[H:12])[C:7]#[C:6]1)[H:8],"InChI=1S/C5H5NO/c1-2-5(7)3-4-6/h1,5,7H,3H2/t5-/m1/s1","InChI=1S/C5H5NO/c6-4-1-2-5(7)3-4/h5-7H,3H2/b6-4+/t5-/m1/s1",76.58348000000001,51.20626,
16156,[O:1]([C@@:2]([C:3]([C:4]#[N:5])([H:10])[H:11])([C:6]#[C:7][H:12])[H:9])[H:8],[O:1]([C@@:2]([C:3]([N+:5]#[C-:4])([H:10])[H:11])([C:6]#[C:7][H:12])[H:9])[H:8],"InChI=1S/C5H5NO/c1-2-5(7)3-4-6/h1,5,7H,3H2/t5-/m1/s1","InChI=1S/C5H5NO/c1-3-5(7)4-6-2/h1,5,7H,4H2/t5-/m1/s1",59.81324,26.369690000000002,
16157,[O:1]([C@@:2]([C:3]([C:4]#[N:5])([H:10])[H:11])([C:6]#[C:7][H:12])[H:9])[H:8],[O:1]([C:2](=[C:6]=[C:7]([C:3]([C:4]#[N:5])([H:10])[H:11])[H:12])[H:9])[H:8],"InChI=1S/C5H5NO/c1-2-5(7)3-4-6/h1,5,7H,3H2/t5-/m1/s1","InChI=1S/C5H5NO/c6-4-2-1-3-5-7/h1,5,7H,2H2",56.392619999999994,-9.32545,
16158,[O:1]([C@@:2]([C:3]([C:4]#[N:5])([H:10])[H:11])([C:6]#[C:7][H:12])[H:9])[H:8],[O:1]([C:2](=[C:6]=[C:7]([C:4]1=[N:5][C:3]1([H:10])[H:11])[H:12])[H:9])[H:8],"InChI=1S/C5H5NO/c1-2-5(7)3-4-6/h1,5,7H,3H2/t5-/m1/s1","InChI=1S/C5H5NO/c7-3-1-2-5-4-6-5/h2-3,7H,4H2",50.41367,23.57199,
16159,[O:1]([C@@:2]([C:3]([C:4]#[N:5])([H:10])[H:11])([C:6]#[C:7][H:12])[H:9])[H:8],[O:1](/[C:2]([C:3]([C:4]#[N:5])([H:10])[H:11])=[C:6](\[C:7][H:12])[H:9])[H:8],"InChI=1S/C5H5NO/c1-2-5(7)3-4-6/h1,5,7H,3H2/t5-/m1/s1","InChI=1S/C5H5NO/c1-2-5(7)3-4-6/h1-2,7H,3H2/b5-2-",61.35974,40.42109,
16160,[O:1]([C@@:2]([C:3]([C:4]#[N:5])([H:10])[H:11])([C:6]#[C:7][H:12])[H:9])[H:8],[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C:4][N:5]([H:12])[C:7]#[C:6]1)[H:8],"InChI=1S/C5H5NO/c1-2-5(7)3-4-6/h1,5,7H,3H2/t5-/m1/s1","InChI=1S/C5H5NO/c7-5-1-3-6-4-2-5/h5-7H,1H2/t5-/m0/s1",80.35602,74.73127,
16161,[O:1]([C@@:2]([C:3]([C:4]#[N:5])([H:10])[H:11])([C:6]#[C:7][H:12])[H:9])[H:8],[O:1]([C@@:2]1([H:9])[C:6]([C:4]2=[N:5][C:3]2([H:10])[H:11])=[C:7]1[H:12])[H:8],"InChI=1S/C5H5NO/c1-2-5(7)3-4-6/h1,5,7H,3H2/t5-/m1/s1","InChI=1S/C5H5NO/c7-5-1-3(5)4-2-6-4/h1,5,7H,2H2/t5-/m1/s1",96.13521,44.4456,
16162,[O:1]([C@@:2]([C:3]([C:4]#[N:5])([H:10])[H:11])([C:6]#[C:7][H:12])[H:9])[H:8],[C-:4]#[N+:5][C:6]#[C:7][H:12].[O:1]([C:2](=[C:3]([H:10])[H:11])[H:9])[H:8],"InChI=1S/C5H5NO/c1-2-5(7)3-4-6/h1,5,7H,3H2/t5-/m1/s1","InChI=1S/C3HN.C2H4O/c1-3-4-2;1-2-3/h1H;2-3H,1H2",88.4778,46.7057,
16163,[O:1]([C@@:2]([C:3]([C:4]#[N:5])([H:10])[H:11])([C:6]#[C:7][H:12])[H:9])[H:8],[O:1]([C:2](=[C:6]=[C:7]([N:5]=[C:4]=[C:3]([H:10])[H:11])[H:12])[H:9])[H:8],"InChI=1S/C5H5NO/c1-2-5(7)3-4-6/h1,5,7H,3H2/t5-/m1/s1","InChI=1S/C5H5NO/c1-2-6-4-3-5-7/h4-5,7H,1H2",31.71923,12.36466,
16164,[O:1]([C@@:2]([C:3]([C:4]#[N:5])([H:10])[H:11])([C:6]#[C:7][H:12])[H:9])[H:8],[C-:2]([C:3]([C:4]#[N:5])([H:10])[H:11])=[C:6]=[C+:7][H:12].[O:1]([H:8])[H:9],"InChI=1S/C5H5NO/c1-2-5(7)3-4-6/h1,5,7H,3H2/t5-/m1/s1","InChI=1S/C5H3N.H2O/c1-2-3-4-5-6;/h1H,4H2;1H2",64.0542,71.0687,
16165,[O:1]([C@@:2]([C:3]([C:4]#[N:5])([H:10])[H:11])([C:6]#[C:7][H:12])[H:9])[H:8],[O-:1][C@@:2]1([H:9])[C:3]([H:10])([H:11])[C:4](=[N-:5])[C+:7]([H:12])[C+:6]1[H:8],"InChI=1S/C5H5NO/c1-2-5(7)3-4-6/h1,5,7H,3H2/t5-/m1/s1","InChI=1S/C5H5NO/c6-4-1-2-5(7)3-4/h1-2,5H,3H2/t5-/m1/s1",84.44781,43.16127,
16166,[O:1]([C@@:2]([C:3]([C:4]#[N:5])([H:10])[H:11])([C:6]#[C:7][H:12])[H:9])[H:8],[O:1]([C@:2]1([H:9])[N+:5]#[C:4][C:3]([H:10])([H:11])[C:6]1=[C-:7][H:12])[H:8],"InChI=1S/C5H5NO/c1-2-5(7)3-4-6/h1,5,7H,3H2/t5-/m1/s1","InChI=1S/C5H5NO/c1-4-2-3-6-5(4)7/h1,5,7H,2H2/t5-/m0/s1",54.66073000000001,57.342180000000006,
16167,[O:1]([C@@:2]([C:3]([C:4]#[N:5])([H:10])[H:11])([C:6]#[C:7][H:12])[H:9])[H:8],[O:1]([C@@:2]1([H:9])[C:6]([N:5]=[C:4]=[C:3]([H:10])[H:11])=[C:7]1[H:12])[H:8],"InChI=1S/C5H5NO/c1-2-5(7)3-4-6/h1,5,7H,3H2/t5-/m1/s1","InChI=1S/C5H5NO/c1-2-6-4-3-5(4)7/h3,5,7H,1H2/t5-/m1/s1",66.59114,29.15185,
16168,[O:1]([C@@:2]([C:3]([C:4]#[N:5])([H:10])[H:11])([C:6]#[C:7][H:12])[H:9])[H:8],[O:1]([C@@:2]([C:3]([C:4]#[N:5])([H:10])[H:11])([C:6](=[C:7])[H:12])[H:9])[H:8],"InChI=1S/C5H5NO/c1-2-5(7)3-4-6/h1,5,7H,3H2/t5-/m1/s1","InChI=1S/C5H5NO/c1-2-5(7)3-4-6/h2,5,7H,3H2/t5-/m1/s1",43.80178,50.12069,Singlet_Carbene_Intra_Disproportionation
16169,[O:1]([C@@:2]([C:3]([C:4]#[N:5])([H:10])[H:11])([C:6]#[C:7][H:12])[H:9])[H:8],[O:1]([C:2]([C:3]([C:4]#[N:5])([H:10])[H:11])=[C:6]=[C:7]([H:9])[H:12])[H:8],"InChI=1S/C5H5NO/c1-2-5(7)3-4-6/h1,5,7H,3H2/t5-/m1/s1","InChI=1S/C5H5NO/c1-2-5(7)3-4-6/h7H,1,3H2",70.40160999999999,-10.68106,
16170,[O:1]([C@@:2]([C:3]([C:4]#[N:5])([H:10])[H:11])([C:6]#[C:7][H:12])[H:9])[H:8],[O:1]([C@@:2]([C:3](=[C:4]=[N:5][H:10])[H:11])([C:6]#[C:7][H:12])[H:9])[H:8],"InChI=1S/C5H5NO/c1-2-5(7)3-4-6/h1,5,7H,3H2/t5-/m1/s1","InChI=1S/C5H5NO/c1-2-5(7)3-4-6/h1,3,5-7H/t5-/m1/s1",81.50787,19.91894,
16171,[O:1]([C@@:2]([C:3]([C:4]#[N:5])([H:10])[H:11])([C:6]#[C:7][H:12])[H:9])[H:8],[C:2](=[C:3]([H:10])[H:11])([C:6]#[C:7][H:12])[H:9].[O:1]([C:4]#[N:5])[H:8],"InChI=1S/C5H5NO/c1-2-5(7)3-4-6/h1,5,7H,3H2/t5-/m1/s1","InChI=1S/C4H4.CHNO/c1-3-4-2;2-1-3/h1,4H,2H2;3H",58.336380000000005,22.305529999999997,
16172,[O:1]([C@@:2]([C:3]([C:4]#[N:5])([H:10])[H:11])([C:6]#[C:7][H:12])[H:9])[H:8],[C:4](#[N:5])[H:10].[O:1](/[C:2](=[C:3](/[C:6]#[C:7][H:12])[H:11])[H:9])[H:8],"InChI=1S/C5H5NO/c1-2-5(7)3-4-6/h1,5,7H,3H2/t5-/m1/s1","InChI=1S/C4H4O.CHN/c1-2-3-4-5;1-2/h1,3-5H;1H/b4-3+;",90.13995,17.11264,
16173,[O:1]([C@@:2]([C:3]([C:4]#[N:5])([H:10])[H:11])([C:6]#[C:7][H:12])[H:9])[H:8],[C:4](#[N:5])[H:10].[O:1]([C@@:2]1([H:9])[C@@:3]2([H:11])[C:6]1=[C:7]2[H:12])[H:8],"InChI=1S/C5H5NO/c1-2-5(7)3-4-6/h1,5,7H,3H2/t5-/m1/s1","InChI=1S/C4H4O.CHN/c5-4-2-1-3(2)4;1-2/h1-2,4-5H;1H/t2-,4+;/m1./s1",103.31208000000001,62.13332,
16174,[C:1]([C:2]([O:3][H:11])([C:4](=[O:5])[H:12])[C:6](=[O:7])[H:13])([H:8])([H:9])[H:10],[C:1](=[C:2]([C:4](=[O:5])[H:12])[C:6](=[O:7])[H:13])([H:9])[H:10].[O:3]([H:8])[H:11],"InChI=1S/C4H6O3/c1-4(7,2-5)3-6/h2-3,7H,1H3","InChI=1S/C4H4O2.H2O/c1-4(2-5)3-6;/h2-3H,1H2;1H2",60.84563000000001,12.577810000000001,"1,3_Insertion_ROR"
16175,[C:1]([C:2]([O:3][H:11])([C:4](=[O:5])[H:12])[C:6](=[O:7])[H:13])([H:8])([H:9])[H:10],[C:1]([C:2](=[O:3])[C@@:6]([C:4](=[O:5])[H:12])([O:7][H:11])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H6O3/c1-4(7,2-5)3-6/h2-3,7H,1H3","InChI=1S/C4H6O3/c1-3(6)4(7)2-5/h2,4,7H,1H3/t4-/m1/s1",24.70281,-5.288930000000001,
16176,[C:1]([C:2]([O:3][H:11])([C:4](=[O:5])[H:12])[C:6](=[O:7])[H:13])([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:4](\[O:5][O:3][H:11])[H:12])[C:6](=[O:7])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H6O3/c1-4(7,2-5)3-6/h2-3,7H,1H3","InChI=1S/C4H6O3/c1-4(2-5)3-7-6/h2-3,6H,1H3/b4-3+",86.43252,62.19065,ketoenol
16177,[C:1]([C:2]([O:3][H:11])([C:4](=[O:5])[H:12])[C:6](=[O:7])[H:13])([H:8])([H:9])[H:10],[C:1]([C:2]([O:3][H:11])=[C:4]=[O:5])([H:8])([H:9])[H:10].[C:6](=[O:7])([H:12])[H:13],"InChI=1S/C4H6O3/c1-4(7,2-5)3-6/h2-3,7H,1H3","InChI=1S/C3H4O2.CH2O/c1-3(5)2-4;1-2/h5H,1H3;1H2",52.45312,35.98529,
16178,[C:1]([C:2]([O:3][H:11])([C:4](=[O:5])[H:12])[C:6](=[O:7])[H:13])([H:8])([H:9])[H:10],[C:1]([C@:2]([O:3][H:11])([C:4](=[O:5])[H:12])[C:6][O:7][H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H6O3/c1-4(7,2-5)3-6/h2-3,7H,1H3","InChI=1S/C4H6O3/c1-4(7,2-5)3-6/h2,6-7H,1H3/t4-/m0/s1",81.12184,57.30489,
16179,[C:1]([C:2]([O:3][H:11])([C:4](=[O:5])[H:12])[C:6](=[O:7])[H:13])([H:8])([H:9])[H:10],[C:1]([C@:2]1([C:6](=[O:7])[H:13])[O:3][C@:4]1([O:5][H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H6O3/c1-4(7,2-5)3-6/h2-3,7H,1H3","InChI=1S/C4H6O3/c1-4(2-5)3(6)7-4/h2-3,6H,1H3/t3-,4-/m1/s1",49.82502,15.33654,
16180,[C:1]([C:2]([O:3][H:11])([C:4](=[O:5])[H:12])[C:6](=[O:7])[H:13])([H:8])([H:9])[H:10],[C:1]1([H:9])([H:10])[C@:2]2([O:3][H:11])[C@@:4]1([H:12])[O:5][C@@:6]2([O:7][H:8])[H:13],"InChI=1S/C4H6O3/c1-4(7,2-5)3-6/h2-3,7H,1H3","InChI=1S/C4H6O3/c5-3-4(6)1-2(4)7-3/h2-3,5-6H,1H2/t2-,3-,4-/m0/s1",72.92595,38.57799,
16181,[C:1]([C:2]([O:3][H:11])([C:4](=[O:5])[H:12])[C:6](=[O:7])[H:13])([H:8])([H:9])[H:10],[C:1](/[C:2]([O:3][C:4](=[O:5])[H:12])=[C:6](/[O:7][H:11])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H6O3/c1-4(7,2-5)3-6/h2-3,7H,1H3","InChI=1S/C4H6O3/c1-4(2-5)7-3-6/h2-3,5H,1H3/b4-2-",31.887190000000004,-6.98597,
16182,[C:1]([C:2]([O:3][H:11])([C:4](=[O:5])[H:12])[C:6](=[O:7])[H:13])([H:8])([H:9])[H:10],[C:1]([C@:2]1([O:3][H:11])[C@@:4]2([H:12])[O:5][C@:6]1([H:13])[O:7]2)([H:8])([H:9])[H:10],"InChI=1S/C4H6O3/c1-4(7,2-5)3-6/h2-3,7H,1H3","InChI=1S/C4H6O3/c1-4(5)2-6-3(4)7-2/h2-3,5H,1H3/t2-,3+,4-",68.88110999999999,60.44741,
16183,[C:1]([C:2]([O:3][H:11])([C:4](=[O:5])[H:12])[C:6](=[O:7])[H:13])([H:8])([H:9])[H:10],[C-:4]#[O+:5].[C:1](/[C:2]([O:3][H:11])=[C:6](/[O:7][H:12])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H6O3/c1-4(7,2-5)3-6/h2-3,7H,1H3","InChI=1S/C3H6O2.CO/c1-3(5)2-4;1-2/h2,4-5H,1H3;/b3-2-;",29.19118,2.94619,
16184,[C:1]([C:2]([O:3][H:11])([C:4](=[O:5])[H:12])[C:6](=[O:7])[H:13])([H:8])([H:9])[H:10],[C:1](/[C:2]([O:3][H:11])=[C:4](\[O:5][H:8])[H:12])([C:6](=[O:7])[H:13])([H:9])[H:10],"InChI=1S/C4H6O3/c1-4(7,2-5)3-6/h2-3,7H,1H3","InChI=1S/C4H6O3/c5-2-1-4(7)3-6/h2-3,6-7H,1H2/b4-3+",63.05625,6.73145,
16185,[C:1]([C:2]([O:3][H:11])([C:4](=[O:5])[H:12])[C:6](=[O:7])[H:13])([H:8])([H:9])[H:10],[C:1](=[C:2]([O:3][H:11])[C:6](=[O:7])[H:13])([H:9])[H:10].[C:4](=[O:5])([H:8])[H:12],"InChI=1S/C4H6O3/c1-4(7,2-5)3-6/h2-3,7H,1H3","InChI=1S/C3H4O2.CH2O/c1-3(5)2-4;1-2/h2,5H,1H2;1H2",59.410509999999995,19.113979999999998,
16186,[C:1]([C:2]([O:3][H:11])([C:4](=[O:5])[H:12])[C:6](=[O:7])[H:13])([H:8])([H:9])[H:10],[C:1]([C@:2]12[O:3][C@@:4]1([H:12])[O:5][C@:6]2([O:7][H:11])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H6O3/c1-4(7,2-5)3-6/h2-3,7H,1H3","InChI=1S/C4H6O3/c1-4-2(5)6-3(4)7-4/h2-3,5H,1H3/t2-,3-,4-/m1/s1",42.06862,34.07428,
16187,[C:1]([C:2]([O:3][H:11])([C:4](=[O:5])[H:12])[C:6](=[O:7])[H:13])([H:8])([H:9])[H:10],[C:1]1([H:9])([H:10])[C:2]([O:3][H:11])=[C:4]([H:12])[O:5]1.[C:6](=[O:7])([H:8])[H:13],"InChI=1S/C4H6O3/c1-4(7,2-5)3-6/h2-3,7H,1H3","InChI=1S/C3H4O2.CH2O/c4-3-1-5-2-3;1-2/h1,4H,2H2;1H2",87.55085,60.06553,
16188,[C:1]([C:2]([O:3][H:11])([C:4](=[O:5])[H:12])[C:6](=[O:7])[H:13])([H:8])([H:9])[H:10],[C:1]([C@@:6]([C:2](=[O:3])[C:4](=[O:5])[H:12])([O:7][H:11])[H:13])([H:8])([H:9])[H:10],"InChI=1S/C4H6O3/c1-4(7,2-5)3-6/h2-3,7H,1H3","InChI=1S/C4H6O3/c1-3(6)4(7)2-5/h2-3,6H,1H3/t3-/m0/s1",38.01282,1.3377299999999999,
16189,[C:1]([C:2]([O:3][H:11])([C:4](=[O:5])[H:12])[C:6](=[O:7])[H:13])([H:8])([H:9])[H:10],[C:1]([C@@:4]1([H:12])[C@@:2]([O:3][H:11])([C:6](=[O:7])[H:13])[O:5]1)([H:8])([H:9])[H:10],"InChI=1S/C4H6O3/c1-4(7,2-5)3-6/h2-3,7H,1H3","InChI=1S/C4H6O3/c1-3-4(6,2-5)7-3/h2-3,6H,1H3/t3-,4+/m0/s1",51.75607,14.582460000000001,
16190,[C:1]([C:2]([O:3][H:11])([C:4](=[O:5])[H:12])[C:6](=[O:7])[H:13])([H:8])([H:9])[H:10],[C-:4]#[O+:5].[C:1]([C:2](=[O:3])[C:6](=[O:7])[H:13])([H:8])([H:9])[H:10].[H:11][H:12],"InChI=1S/C4H6O3/c1-4(7,2-5)3-6/h2-3,7H,1H3","InChI=1S/C3H4O2.CO.H2/c1-3(5)2-4;1-2;/h2H,1H3;;1H",48.57952,25.26032,
16191,[C:1]([C:2]([O:3][H:11])([C:4](=[O:5])[H:12])[C:6](=[O:7])[H:13])([H:8])([H:9])[H:10],[C:1](/[C:2]([O:3][H:11])=[C:4](\[O:5][C:6](=[O:7])[H:13])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H6O3/c1-4(7,2-5)3-6/h2-3,7H,1H3","InChI=1S/C4H6O3/c1-4(6)2-7-3-5/h2-3,6H,1H3/b4-2+",40.42525,-3.5517300000000005,ketoenol
16192,[C:1]([C:2]([O:3][H:11])([C:4](=[O:5])[H:12])[C:6](=[O:7])[H:13])([H:8])([H:9])[H:10],[C-:4]#[O+:5].[C:1]([C@:2]([O:3][H:11])([C:6](=[O:7])[H:13])[H:9])([H:8])([H:10])[H:12],"InChI=1S/C4H6O3/c1-4(7,2-5)3-6/h2-3,7H,1H3","InChI=1S/C3H6O2.CO/c1-3(5)2-4;1-2/h2-3,5H,1H3;/t3-;/m0./s1",83.476,0.38776,"1,2_Insertion_CO"
16193,[C:1]([C:2]([O:3][H:11])([C:4](=[O:5])[H:12])[C:6](=[O:7])[H:13])([H:8])([H:9])[H:10],[C:1]([C:2](=[O:3])[C:4](=[O:5])[H:12])([C:6](=[O:7])[H:13])([H:9])[H:10].[H:8][H:11],"InChI=1S/C4H6O3/c1-4(7,2-5)3-6/h2-3,7H,1H3","InChI=1S/C4H4O3.H2/c5-2-1-4(7)3-6;/h2-3H,1H2;1H",83.30677,25.156670000000002,
16194,[C:1]([C:2]#[C:3][C:4]([C:5](=[O:6])[C:7]([H:13])([H:14])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3])[C:4]([C:5](=[O:6])[C:7]([H:13])([H:14])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-3-4-5-6(2)7/h5H2,1-2H3","InChI=1S/C6H8O/c1-5(2)4-6(3)7/h4H2,1,3H3",55.91862,53.530030000000004,
16195,[C:1]([C:2]#[C:3][C:4]([C:5](=[O:6])[C:7]([H:13])([H:14])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]#[C:3][C:4]([H:11])([H:12])[H:13])([H:8])([H:9])[H:10].[C:5](=[O:6])=[C:7]([H:14])[H:15],"InChI=1S/C6H8O/c1-3-4-5-6(2)7/h5H2,1-2H3",InChI=1S/C4H6.C2H2O/c1-3-4-2;1-2-3/h1-2H3;1H2,75.25103,19.87122,
16196,[C:1]([C:2]#[C:3][C:4]([C:5](=[O:6])[C:7]([H:13])([H:14])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]=[C:4]([H:11])[H:12])[C:5](=[O:6])[C:7]([H:13])([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-3-4-5-6(2)7/h5H2,1-2H3","InChI=1S/C6H8O/c1-4-5(2)6(3)7/h1H2,2-3H3",49.27986,-8.03187,
16197,[C:1]([C:2]#[C:3][C:4]([C:5](=[O:6])[C:7]([H:13])([H:14])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](=[C:2]=[C:3]1[C:4]([H:11])([H:12])[C@:5]1([O:6][H:10])[C:7]([H:13])([H:14])[H:15])([H:8])[H:9],"InChI=1S/C6H8O/c1-3-4-5-6(2)7/h5H2,1-2H3","InChI=1S/C6H8O/c1-3-5-4-6(5,2)7/h7H,1,4H2,2H3/t6-/m1/s1",51.519909999999996,25.50984,
16198,[C:1]([C:2]#[C:3][C:4]([C:5](=[O:6])[C:7]([H:13])([H:14])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:3]2[C:4]([H:11])([H:12])[C@@:5]2([C:7]([H:13])([H:14])[H:15])[O:6]1)([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-3-4-5-6(2)7/h5H2,1-2H3","InChI=1S/C6H8O/c1-4-5-3-6(5,2)7-4/h3H2,1-2H3/t6-/m1/s1",67.29831,61.378519999999995,
16199,[C:1]([C:2]#[C:3][C:4]([C:5](=[O:6])[C:7]([H:13])([H:14])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]/[C:3](=[C:4](\[C:5](=[O:6])[C:7]([H:13])([H:14])[H:15])[H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-3-4-5-6(2)7/h5H2,1-2H3","InChI=1S/C6H8O/c1-3-4-5-6(2)7/h4-5H,1-2H3/b5-4-",57.727830000000004,51.63316,
16200,[C:1]([C:2]#[C:3][C:4]([C:5](=[O:6])[C:7]([H:13])([H:14])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]#[C:3]/[C:4](=[C:5](/[O:6][H:12])[C:7]([H:13])([H:14])[H:15])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-3-4-5-6(2)7/h5H2,1-2H3","InChI=1S/C6H8O/c1-3-4-5-6(2)7/h5,7H,1-2H3/b6-5+",54.46122,0.72006,ketoenol
16201,[C:1]([C:2]#[C:3][C:4]([C:5](=[O:6])[C:7]([H:13])([H:14])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]=[C:4]([H:11])[H:12])[H:13])([H:8])([H:9])[H:10].[C:5](=[O:6])=[C:7]([H:14])[H:15],"InChI=1S/C6H8O/c1-3-4-5-6(2)7/h5H2,1-2H3","InChI=1S/C4H6.C2H2O/c1-3-4-2;1-2-3/h4H,1H2,2H3;1H2",51.171240000000004,20.85673,Retroene
16202,[C:1]([C:2]#[C:3][C:4]([C:5](=[O:6])[C:7]([H:13])([H:14])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:3]2[C:4]([H:11])([H:12])[C@:5]12[O:6][C:7]([H:13])([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-3-4-5-6(2)7/h5H2,1-2H3","InChI=1S/C6H8O/c1-4-5-3-6(4,5)7-2/h3H2,1-2H3/t6-/m0/s1",107.45316000000001,54.5944,
16203,[C:1]([C:2]#[C:3][C:4]([C:5](=[O:6])[C:7]([H:13])([H:14])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]#[C:3][C:4]([C:5]([O:6][H:13])=[C:7]([H:14])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-3-4-5-6(2)7/h5H2,1-2H3","InChI=1S/C6H8O/c1-3-4-5-6(2)7/h7H,2,5H2,1H3",64.51669,9.47975,ketoenol
16204,[C:1]([C:2]#[C:3][C:4]([C:5](=[O:6])[C:7]([H:13])([H:14])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],[C+:1]([C:2](=[C-:3][C:4]([C:5](=[O:6])[C:7]([H:13])([H:14])[H:15])([H:11])[H:12])[H:10])([H:8])[H:9],"InChI=1S/C6H8O/c1-3-4-5-6(2)7/h5H2,1-2H3","InChI=1S/C6H8O/c1-3-4-5-6(2)7/h3H,1,5H2,2H3",63.8676,57.62469,
16205,[C:1]([C:2]#[C:3][C:4]([C:5](=[O:6])[C:7]([H:13])([H:14])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]#[C:3][O:6][C:5](=[C:4]([H:11])[H:12])[C:7]([H:13])([H:14])[H:15])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-3-4-5-6(2)7/h5H2,1-2H3","InChI=1S/C6H8O/c1-4-5-7-6(2)3/h2H2,1,3H3",79.96298,26.110960000000002,ketoenol
16206,[C:1]([C:2]#[C:3][C:4]([C:5](=[O:6])[C:7]([H:13])([H:14])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:3]([C:5](=[O:6])[C:7]([H:13])([H:14])[H:15])[C:4]1([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-3-4-5-6(2)7/h5H2,1-2H3","InChI=1S/C6H8O/c1-4-3-6(4)5(2)7/h3H2,1-2H3",57.47444,12.1943,
16207,[C:1]([C:2]#[C:3][C:4]([C:5](=[O:6])[C:7]([H:13])([H:14])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]=[C:4]([C:5](=[O:6])[C:7]([H:13])([H:14])[H:15])[H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-3-4-5-6(2)7/h5H2,1-2H3","InChI=1S/C6H8O/c1-3-4-5-6(2)7/h3,5H,1-2H3",57.77463,-6.7174,
16208,[C:1]([C:2]#[C:3][C:4]([C:5](=[O:6])[C:7]([H:13])([H:14])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](=[C:2]=[C:3]([C:4]([C:5](=[O:6])[C:7]([H:13])([H:14])[H:15])([H:11])[H:12])[H:10])([H:8])[H:9],"InChI=1S/C6H8O/c1-3-4-5-6(2)7/h5H2,1-2H3","InChI=1S/C6H8O/c1-3-4-5-6(2)7/h4H,1,5H2,2H3",72.85266999999999,-0.07071000000000001,
16209,[C:1]([C:2]#[C:3][C:4]([C:5](=[O:6])[C:7]([H:13])([H:14])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]#[C:3][C@:4]([C:5](=[O:6])[H:12])([C:7]([H:13])([H:14])[H:15])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C6H8O/c1-3-4-5-6(2)7/h5H2,1-2H3","InChI=1S/C6H8O/c1-3-4-6(2)5-7/h5-6H,1-2H3/t6-/m1/s1",66.78503,6.78127,
16210,[C:1]([C:2]#[C:3][C:4]([C:5](=[O:6])[C:7]([H:13])([H:14])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](=[C:2]=[C:3]=[C:4]([H:11])[H:12])([H:8])[H:9].[C:5](=[O:6])([C:7]([H:13])([H:14])[H:15])[H:10],"InChI=1S/C6H8O/c1-3-4-5-6(2)7/h5H2,1-2H3","InChI=1S/C4H4.C2H4O/c1-3-4-2;1-2-3/h1-2H2;2H,1H3",67.91154,30.51936,
16211,[C:1]([N:2]([C:3]([C:4]#[N:5])([C:6]#[N:7])[H:12])[H:11])([H:8])([H:9])[H:10],[C:1]([N+:2]([C-:3]([C:4]#[N:5])[C:6]#[N:7])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H5N3/c1-7-4(2-5)3-6/h4,7H,1H3","InChI=1S/C4H5N3/c1-7-4(2-5)3-6/h7H2,1H3",51.418440000000004,22.4056,
16212,[C:1]([N:2]([C:3]([C:4]#[N:5])([C:6]#[N:7])[H:12])[H:11])([H:8])([H:9])[H:10],[C+:1]([N:2]([C:3](=[C:4]=[N-:5])[H:12])[H:11])([H:8])[H:10].[C:6]=[N:7][H:9],"InChI=1S/C4H5N3/c1-7-4(2-5)3-6/h4,7H,1H3","InChI=1S/C3H4N2.CHN/c1-5-3-2-4;1-2/h3,5H,1H2;2H",42.11854,50.14196,
16213,[C:1]([N:2]([C:3]([C:4]#[N:5])([C:6]#[N:7])[H:12])[H:11])([H:8])([H:9])[H:10],[C:1]([N:2]([C@@:3]([N+:5]#[C-:4])([C:6]#[N:7])[H:12])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H5N3/c1-7-4(2-5)3-6/h4,7H,1H3","InChI=1S/C4H5N3/c1-6-4(3-5)7-2/h4,6H,1H3/t4-/m0/s1",41.31402,22.48067,
16214,[C:1]([N:2]([C:3]([C:4]#[N:5])([C:6]#[N:7])[H:12])[H:11])([H:8])([H:9])[H:10],[C:1](/[N:2]=[C:3](\[C:6]#[N:7])[H:12])([H:8])([H:9])[H:10].[C:4]=[N:5][H:11],"InChI=1S/C4H5N3/c1-7-4(2-5)3-6/h4,7H,1H3","InChI=1S/C3H4N2.CHN/c1-5-3-2-4;1-2/h3H,1H3;2H/b5-3-;",46.01272,31.544159999999998,
16215,[C:1]([N:2]([C:3]([C:4]#[N:5])([C:6]#[N:7])[H:12])[H:11])([H:8])([H:9])[H:10],[C:1]([N:2]([C:4]1=[N:5][C@:3]1([C:6]#[N:7])[H:12])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H5N3/c1-7-4(2-5)3-6/h4,7H,1H3","InChI=1S/C4H5N3/c1-6-4-3(2-5)7-4/h3H,1H3,(H,6,7)/t3-/m0/s1",69.01428,14.441020000000002,
16216,[C:1]([N:2]([C:3]([C:4]#[N:5])([C:6]#[N:7])[H:12])[H:11])([H:8])([H:9])[H:10],[C:1](/[N+:2](=[C:3](\[C:4]#[N:5])[C:6](=[N-:7])[H:12])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H5N3/c1-7-4(2-5)3-6/h4,7H,1H3","InChI=1S/C4H4N3/c1-7-4(2-5)3-6/h2H,1H3/q-1/p+1/b7-4-",50.033879999999996,32.72248,
16217,[C:1]([N:2]([C:3]([C:4]#[N:5])([C:6]#[N:7])[H:12])[H:11])([H:8])([H:9])[H:10],[C:1]([N:2]([C:3]([C:4]#[N:5])=[C:6]=[N:7][H:12])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H5N3/c1-7-4(2-5)3-6/h4,7H,1H3","InChI=1S/C4H5N3/c1-7-4(2-5)3-6/h5,7H,1H3",63.15347,10.09752,
16218,[C:1]([N:2]([C:3]([C:4]#[N:5])([C:6]#[N:7])[H:12])[H:11])([H:8])([H:9])[H:10],[C:1]([N:2]([N:7]=[C:6]=[C:3]([C:4]#[N:5])[H:12])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H5N3/c1-7-4(2-5)3-6/h4,7H,1H3","InChI=1S/C4H5N3/c1-6-7-4-2-3-5/h2,6H,1H3",65.91291,25.6839,
16219,[C:1]([N:2]([C:3]([C:4]#[N:5])([C:6]#[N:7])[H:12])[H:11])([H:8])([H:9])[H:10],[C:1]([N+:2]([C-:3]([C:4]#[N:5])[H:12])([C:6]#[N:7])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H5N3/c1-7-4(2-5)3-6/h4,7H,1H3","InChI=1S/C4H5N3/c1-7(4-6)3-2-5/h3,7H,1H3",64.68932,62.194030000000005,
16220,[C:1]([N:2]([C:3]([C:4]#[N:5])([C:6]#[N:7])[H:12])[H:11])([H:8])([H:9])[H:10],[C:1](=[N:2][H:11])([H:8])[H:10].[C:3]([C:4]#[N:5])(=[C:6]=[N:7][H:9])[H:12],"InChI=1S/C4H5N3/c1-7-4(2-5)3-6/h4,7H,1H3","InChI=1S/C3H2N2.CH3N/c4-2-1-3-5;1-2/h1,4H;2H,1H2",42.8822,19.79926,Retroene
16221,[C:1]([N:2]([C:3]([C:4]#[N:5])([C:6]#[N:7])[H:12])[H:11])([H:8])([H:9])[H:10],[C:1]([N:2]([C:3](=[C:4]=[N:5][C:6]#[N:7])[H:12])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H5N3/c1-7-4(2-5)3-6/h4,7H,1H3","InChI=1S/C4H5N3/c1-6-2-3-7-4-5/h2,6H,1H3",53.30745,21.285970000000002,
16222,[C:1]([N:2]([C:3]([C:4]#[N:5])([C:6]#[N:7])[H:12])[H:11])([H:8])([H:9])[H:10],[C:1]([N:2]([H:10])[H:11])([N:5]=[C:4]=[C:3]([C:6]#[N:7])[H:12])([H:8])[H:9],"InChI=1S/C4H5N3/c1-7-4(2-5)3-6/h4,7H,1H3","InChI=1S/C4H5N3/c5-2-1-3-7-4-6/h1H,4,6H2",69.14655,4.22337,
16223,[C:1]([N:2]([C:3]([C:4]#[N:5])([C:6]#[N:7])[H:12])[H:11])([H:8])([H:9])[H:10],[C:1]([N:2]([C+:3]=[C:4]=[N-:5])[H:11])([H:8])([H:9])[H:10].[C:6]=[N:7][H:12],"InChI=1S/C4H5N3/c1-7-4(2-5)3-6/h4,7H,1H3","InChI=1S/C3H4N2.CHN/c1-5-3-2-4;1-2/h5H,1H3;2H",47.20345,59.713640000000005,
16224,[C:1]([N:2]([C:3]([C:4]#[N:5])([C:6]#[N:7])[H:12])[H:11])([H:8])([H:9])[H:10],[C+:1]([N:2]([C:3]([C:4]#[N:5])=[C:6]=[N-:7])[H:11])([H:8])[H:10].[H:9][H:12],"InChI=1S/C4H5N3/c1-7-4(2-5)3-6/h4,7H,1H3","InChI=1S/C4H3N3.H2/c1-7-4(2-5)3-6;/h7H,1H2;1H",46.02303,28.7779,
16225,[C:1]([N:2]([C:3]([C:4]#[N:5])([C:6]#[N:7])[H:12])[H:11])([H:8])([H:9])[H:10],[C:1]([N:7]=[C:6]=[C:3]([N:2]([N+:5]#[C-:4])[H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C4H5N3/c1-7-4(2-5)3-6/h4,7H,1H3","InChI=1S/C4H5N3/c1-5-3-4-7-6-2/h4,7H,1H3",141.98248999999998,65.96044,
16226,[C:1]([N:2]([C:3]([C:4]#[N:5])([C:6]#[N:7])[H:12])[H:11])([H:8])([H:9])[H:10],[C:1]([N+:7]#[C-:6])([H:8])([H:9])[H:10].[N:2](=[C:3](\[C:4]#[N:5])[H:12])\[H:11],"InChI=1S/C4H5N3/c1-7-4(2-5)3-6/h4,7H,1H3","InChI=1S/C2H2N2.C2H3N/c3-1-2-4;1-3-2/h1,3H;1H3/b3-1-;",94.17312,27.898359999999997,
16227,[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C@:5]1([C:6]([H:16])([H:17])[H:18])[O:7][H:19])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C:5]1)([H:11])[H:12])([H:8])([H:9])[H:10].[C:6]([O:7][H:19])([H:16])([H:17])[H:18],"InChI=1S/C6H12O/c1-3-5-4-6(5,2)7/h5,7H,3-4H2,1-2H3/t5-,6-/m0/s1","InChI=1S/C5H8.CH4O/c1-2-5-3-4-5;1-2/h5H,2-3H2,1H3;2H,1H3/t5-;/m0./s1",113.18741999999999,103.23156999999999,
16228,[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C@:5]1([C:6]([H:16])([H:17])[H:18])[O:7][H:19])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]1([H:9])([H:10])[C:2]([H:11])([H:12])[C:3]1([C:4]([C@:5]([C:6]([H:16])([H:17])[H:18])([O:7][H:19])[H:8])([H:14])[H:15])[H:13],"InChI=1S/C6H12O/c1-3-5-4-6(5,2)7/h5,7H,3-4H2,1-2H3/t5-,6-/m0/s1","InChI=1S/C6H12O/c1-5(7)4-6-2-3-6/h5-7H,2-4H2,1H3/t5-/m0/s1",81.4309,2.26269,
16229,[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C@:5]1([C:6]([H:16])([H:17])[H:18])[O:7][H:19])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:3](/[C:4]([C@@:5]([C:6]([H:11])([H:17])[H:18])([O:7][H:19])[H:16])([H:14])[H:15])[H:13])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-3-5-4-6(5,2)7/h5,7H,3-4H2,1-2H3/t5-,6-/m0/s1","InChI=1S/C6H12O/c1-3-4-5-6(2)7/h3-4,6-7H,5H2,1-2H3/b4-3+/t6-/m1/s1",81.69324,-7.21897,
16230,[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C@:5]1([C:6]([H:16])([H:17])[H:18])[O:7][H:19])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]1=[C:5]([C:6]([H:16])([H:17])[H:18])[C:4]1([H:14])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10].[O:7]([H:13])[H:19],"InChI=1S/C6H12O/c1-3-5-4-6(5,2)7/h5,7H,3-4H2,1-2H3/t5-,6-/m0/s1","InChI=1S/C6H10.H2O/c1-3-6-4-5(6)2;/h3-4H2,1-2H3;1H2",70.63776999999999,29.61538,
16231,[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C@:5]1([C:6]([H:16])([H:17])[H:18])[O:7][H:19])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C:5]1=[O:7])([H:11])[H:12])([H:8])([H:9])[H:10].[C:6]([H:16])([H:17])([H:18])[H:19],"InChI=1S/C6H12O/c1-3-5-4-6(5,2)7/h5,7H,3-4H2,1-2H3/t5-,6-/m0/s1","InChI=1S/C5H8O.CH4/c1-2-4-3-5(4)6;/h4H,2-3H2,1H3;1H4/t4-;/m0./s1",83.34871,17.344620000000003,
16232,[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C@:5]1([C:6]([H:16])([H:17])[H:18])[O:7][H:19])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:5]([C:3]1([H:13])[C:2]([H:11])([H:12])[C:4]1([H:14])[H:15])([C:6]([H:16])([H:17])[H:18])[O:7][H:19])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-3-5-4-6(5,2)7/h5,7H,3-4H2,1-2H3/t5-,6-/m0/s1","InChI=1S/C6H12O/c1-6(2,7)5-3-4-5/h5,7H,3-4H2,1-2H3",97.72988000000001,0.48708,
16233,[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C@:5]1([C:6]([H:16])([H:17])[H:18])[O:7][H:19])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3](=[C:4]([H:14])[H:15])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10].[C:5]([C:6]([H:16])([H:17])[H:18])[O:7][H:19],"InChI=1S/C6H12O/c1-3-5-4-6(5,2)7/h5,7H,3-4H2,1-2H3/t5-,6-/m0/s1","InChI=1S/C4H8.C2H4O/c1-3-4-2;1-2-3/h3H,1,4H2,2H3;3H,1H3",53.95299,61.57403000000001,
16234,[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C@:5]1([C:6]([H:16])([H:17])[H:18])[O:7][H:19])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C:5]1=[C:6]([H:17])[H:18])([H:11])[H:12])([H:8])([H:9])[H:10].[O:7]([H:16])[H:19],"InChI=1S/C6H12O/c1-3-5-4-6(5,2)7/h5,7H,3-4H2,1-2H3/t5-,6-/m0/s1","InChI=1S/C6H10.H2O/c1-3-6-4-5(6)2;/h6H,2-4H2,1H3;1H2/t6-;/m0./s1",65.15386,21.74825,"1,3_Insertion_ROR"
16235,[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C@:5]1([C:6]([H:16])([H:17])[H:18])[O:7][H:19])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([H:11])([H:12])[H:14])([H:8])([H:9])[H:10].[C:3]1([H:13])=[C:4]([H:15])[C:5]1([C:6]([H:16])([H:17])[H:18])[O:7][H:19],"InChI=1S/C6H12O/c1-3-5-4-6(5,2)7/h5,7H,3-4H2,1-2H3/t5-,6-/m0/s1","InChI=1S/C4H6O.C2H6/c1-4(5)2-3-4;1-2/h2-3,5H,1H3;1-2H3",112.6748,40.621790000000004,
16236,[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C@:5]1([C:6]([H:16])([H:17])[H:18])[O:7][H:19])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3]([C:4]([C:6]([H:16])([H:17])[H:18])([H:14])[H:15])([C:5][O:7][H:19])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-3-5-4-6(5,2)7/h5,7H,3-4H2,1-2H3/t5-,6-/m0/s1","InChI=1S/C6H12O/c1-3-6(4-2)5-7/h6-7H,3-4H2,1-2H3",81.0806,42.423359999999995,
16237,[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C@:5]1([C:6]([H:16])([H:17])[H:18])[O:7][H:19])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:4](/[C:3](=[C:5](\[C:6]([H:16])([H:17])[H:18])[O:7][H:19])[H:13])([H:14])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-3-5-4-6(5,2)7/h5,7H,3-4H2,1-2H3/t5-,6-/m0/s1","InChI=1S/C6H12O/c1-3-4-5-6(2)7/h5,7H,3-4H2,1-2H3/b6-5+",97.18927,-11.98841,
16238,[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C@:5]1([C:6]([H:16])([H:17])[H:18])[O:7][H:19])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:15])=[C:5]1[O:7][H:19])([H:11])[H:12])([H:8])([H:9])[H:10].[C:6]([H:14])([H:16])([H:17])[H:18],"InChI=1S/C6H12O/c1-3-5-4-6(5,2)7/h5,7H,3-4H2,1-2H3/t5-,6-/m0/s1","InChI=1S/C5H8O.CH4/c1-2-4-3-5(4)6;/h3-4,6H,2H2,1H3;1H4/t4-;/m0./s1",110.82186999999999,37.58467,
16239,[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C@:5]1([C:6]([H:16])([H:17])[H:18])[O:7][H:19])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2](/[C:3]([C:4]([H:13])([H:14])[H:15])=[C:5](\[C:6]([H:16])([H:17])[H:18])[O:7][H:19])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-3-5-4-6(5,2)7/h5,7H,3-4H2,1-2H3/t5-,6-/m0/s1","InChI=1S/C6H12O/c1-4-5(2)6(3)7/h7H,4H2,1-3H3/b6-5+",63.0209,-13.59506,
16240,[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C@:5]1([C:6]([H:16])([H:17])[H:18])[O:7][H:19])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])=[C:5]1[C:6]([H:16])([H:17])[H:18])([H:11])[H:12])([H:8])([H:9])[H:10].[O:7]([H:15])[H:19],"InChI=1S/C6H12O/c1-3-5-4-6(5,2)7/h5,7H,3-4H2,1-2H3/t5-,6-/m0/s1","InChI=1S/C6H10.H2O/c1-3-6-4-5(6)2;/h4,6H,3H2,1-2H3;1H2/t6-;/m0./s1",69.92282,33.26239,
16241,[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C@:5]1([C:6]([H:16])([H:17])[H:18])[O:7][H:19])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:3][C:4]([C@:5]([C:6]([H:16])([H:17])[H:18])([O:7][H:19])[H:13])([H:14])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-3-5-4-6(5,2)7/h5,7H,3-4H2,1-2H3/t5-,6-/m0/s1","InChI=1S/C6H12O/c1-3-4-5-6(2)7/h6-7H,3,5H2,1-2H3/t6-/m0/s1",67.56838,69.12786,
16242,[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C@:5]1([C:6]([H:16])([H:17])[H:18])[O:7][H:19])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:12].[C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C@:5]1([C:6]([H:16])([H:17])[H:18])[O:7][H:19])[H:11],"InChI=1S/C6H12O/c1-3-5-4-6(5,2)7/h5,7H,3-4H2,1-2H3/t5-,6-/m0/s1","InChI=1S/C5H8O.CH4/c1-4-3-5(4,2)6;/h1,4,6H,3H2,2H3;1H4/t4-,5-;/m0./s1",81.80294,86.15398,
16243,[C:1]([C:2]([C@@:3]1([H:13])[C:4]([H:14])([H:15])[C@:5]1([C:6]([H:16])([H:17])[H:18])[O:7][H:19])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:3]([C:4]([O:7][H:19])([H:14])[H:15])([C:5][C:6]([H:16])([H:17])[H:18])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C6H12O/c1-3-5-4-6(5,2)7/h5,7H,3-4H2,1-2H3/t5-,6-/m0/s1","InChI=1S/C6H12O/c1-3-6(4-2)5-7/h6-7H,3,5H2,1-2H3/t6-/m1/s1",89.11183,70.59434,
16244,[C:1]([C:2]([n:3]1[c:4]([H:13])[c:5]([H:14])[n:6][c:7]1[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([n:6]1[c:5]([H:14])[c:4]([H:13])[n+:3]([C-:2]([H:11])[H:12])[c:7]1[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-2-7-4-3-6-5-7/h3-5H,2H2,1H3","InChI=1S/C5H8N2/c1-6-3-4-7(2)5-6/h3-5H,1H2,2H3",99.73212,57.85983,
16245,[C:1]([C:2]([n:3]1[c:4]([H:13])[c:5]([H:14])[n:6][c:7]1[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C:7]1([H:15])[N:3]=[C:4]([H:13])[C:5]([H:14])=[N:6]1)([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-2-7-4-3-6-5-7/h3-5H,2H2,1H3","InChI=1S/C5H8N2/c1-2-5-6-3-4-7-5/h3-5H,2H2,1H3",51.91465,10.48065,
16246,[C:1]([C:2]([n:3]1[c:4]([H:13])[c:5]([H:14])[n:6][c:7]1[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([N:3]=[C:7]([N:6]=[C:5]=[C:4]([H:13])[H:14])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-2-7-4-3-6-5-7/h3-5H,2H2,1H3","InChI=1S/C5H8N2/c1-3-6-5-7-4-2/h5H,1,4H2,2H3",94.10344,35.15112,
16247,[C:1]([C:2]([n:3]1[c:4]([H:13])[c:5]([H:14])[n:6][c:7]1[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([n:3]1[c:4]([H:13])[c-:5][n:6]([H:14])[c+:7]1[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-2-7-4-3-6-5-7/h3-5H,2H2,1H3","InChI=1S/C5H8N2/c1-2-7-4-3-6-5-7/h4-6H,2H2,1H3",82.006,50.874759999999995,
16248,[C:1]([C:2]([n:3]1[c:4]([H:13])[c:5]([H:14])[n:6][c:7]1[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]1([H:8])([H:10])[C:2]([H:11])([H:12])[N:3]2[C@@:4]1([H:13])[C:5]([H:14])=[N:6][C:7]2([H:9])[H:15],"InChI=1S/C5H8N2/c1-2-7-4-3-6-5-7/h3-5H,2H2,1H3","InChI=1S/C5H8N2/c1-2-7-4-6-3-5(1)7/h3,5H,1-2,4H2/t5-/m1/s1",84.58726,35.766459999999995,
16249,[C:1]([C:2]([n:3]1[c:4]([H:13])[c:5]([H:14])[n:6][c:7]1[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([N:3]=[C:4]=[C:5]([H:13])[H:14])([H:11])[H:12])([H:8])([H:9])[H:10].[N:6]#[C:7][H:15],"InChI=1S/C5H8N2/c1-2-7-4-3-6-5-7/h3-5H,2H2,1H3","InChI=1S/C4H7N.CHN/c1-3-5-4-2;1-2/h1,4H2,2H3;1H",104.09684,43.80158,
16250,[C:1]([C:2]([n:3]1[c:4]([H:13])[c:5]([H:14])[n:6][c:7]1[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:4]1([H:13])[N:3]=[C:7]([H:15])[N:6]=[C:5]1[H:14])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-2-7-4-3-6-5-7/h3-5H,2H2,1H3","InChI=1S/C5H8N2/c1-2-5-3-6-4-7-5/h3-5H,2H2,1H3/t5-/m1/s1",57.699290000000005,12.45727,
16251,[C:1]([C:2]([n:3]1[c:4]([H:13])[c:5]([H:14])[n:6][c:7]1[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:15].[C:2](=[N:3]/[C:4](=[C:5](\[N+:6]#[C-:7])[H:14])[H:13])([H:11])[H:12],"InChI=1S/C5H8N2/c1-2-7-4-3-6-5-7/h3-5H,2H2,1H3","InChI=1S/C4H4N2.CH4/c1-5-3-4-6-2;/h3-4H,1H2;1H4/b4-3-;",103.2423,55.212540000000004,
16252,[C:1]([C:2]([n:3]1[c:4]([H:13])[c:5]([H:14])[n:6][c:7]1[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([N:3]1[C:4]([H:13])=[C:5]1[H:14])([H:11])[H:12])([H:8])([H:9])[H:10].[N:6]#[C:7][H:15],"InChI=1S/C5H8N2/c1-2-7-4-3-6-5-7/h3-5H,2H2,1H3","InChI=1S/C4H7N.CHN/c1-2-5-3-4-5;1-2/h3-4H,2H2,1H3;1H",111.75585,103.93605,
16253,[C:1]([C:2]([n:3]1[c:4]([H:13])[c:5]([H:14])[n:6][c:7]1[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C-:2]([N+:3]1=[C:4]([H:13])[C:5]([H:14])=[N:6][C:7]1([H:11])[H:15])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-2-7-4-3-6-5-7/h3-5H,2H2,1H3","InChI=1S/C5H8N2/c1-2-7-4-3-6-5-7/h2-4H,5H2,1H3",85.33903000000001,36.884570000000004,
16254,[C:1]([C:2]([n:3]1[c:4]([H:13])[c:5]([H:14])[n:6][c:7]1[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([N+:3]1([H:13])[C-:4]=[C:5]([H:14])[N:6]=[C:7]1[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-2-7-4-3-6-5-7/h3-5H,2H2,1H3","InChI=1S/C5H8N2/c1-2-7-4-3-6-5-7/h3,5,7H,2H2,1H3",87.45561,80.71327,
16255,[C:1]([C:2]([n:3]1[c:4]([H:13])[c:5]([H:14])[n:6][c:7]1[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C@:2]1([H:12])[N:3]2[C:4]([H:11])([H:13])[C:5]([H:14])=[N:6][C@@:7]12[H:15])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-2-7-4-3-6-5-7/h3-5H,2H2,1H3","InChI=1S/C5H8N2/c1-4-5-6-2-3-7(4)5/h2,4-5H,3H2,1H3/t4-,5+,7?/m0/s1",102.11612,34.86227,
16256,[C:1]([C:2]([n:3]1[c:4]([H:13])[c:5]([H:14])[n:6][c:7]1[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2]([N:3]1[C:4]([H:13])([H:14])[C-:5]=[N+:6]=[C:7]1[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-2-7-4-3-6-5-7/h3-5H,2H2,1H3","InChI=1S/C5H8N2/c1-2-7-4-3-6-5-7/h5H,2,4H2,1H3",77.17141,69.93045,Singlet_Carbene_Intra_Disproportionation
16257,[C:1]([C:2]([n:3]1[c:4]([H:13])[c:5]([H:14])[n:6][c:7]1[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C@@:5]1([H:14])[C:4]([H:13])=[N+:3]([C-:2]([H:11])[H:12])[C:7]([H:15])=[N:6]1)([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-2-7-4-3-6-5-7/h3-5H,2H2,1H3","InChI=1S/C5H8N2/c1-5-3-7(2)4-6-5/h3-5H,2H2,1H3/t5-/m0/s1",99.79799,50.73689,
16258,[C:1]([C:2]([n:3]1[c:4]([H:13])[c:5]([H:14])[n:6][c:7]1[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2](/[N:3]=[C:4](/[C@:5]1([H:14])[N:6]=[C:7]1[H:15])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-2-7-4-3-6-5-7/h3-5H,2H2,1H3","InChI=1S/C5H8N2/c1-2-6-3-5-4-7-5/h3-5H,2H2,1H3/b6-3+/t5-/m0/s1",97.02425,54.522130000000004,
16259,[C:1]([C:2]([n:3]1[c:4]([H:13])[c:5]([H:14])[n:6][c:7]1[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2](/[N:3]=[C:7](/[N:6]1[C:4]([H:13])=[C:5]1[H:14])[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-2-7-4-3-6-5-7/h3-5H,2H2,1H3","InChI=1S/C5H8N2/c1-2-6-5-7-3-4-7/h3-5H,2H2,1H3/b6-5+",97.97402,90.14656,
16260,[C:1]([C:2]([n:3]1[c:4]([H:13])[c:5]([H:14])[n:6][c:7]1[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]1([H:8])([H:10])[C:2]([H:11])([H:12])[N:3]2[C:4]([H:9])([H:13])[C:5]([H:14])=[N:6][C@:7]12[H:15],"InChI=1S/C5H8N2/c1-2-7-4-3-6-5-7/h3-5H,2H2,1H3","InChI=1S/C5H8N2/c1-3-7-4-2-6-5(1)7/h2,5H,1,3-4H2/t5-/m0/s1",84.09614,34.024229999999996,
16261,[C:1]([C:2]([n:3]1[c:4]([H:13])[c:5]([H:14])[n:6][c:7]1[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C:2](/[N:3]=[C:4](/[C:5](=[N+:6]=[C-:7][H:15])[H:14])[H:13])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-2-7-4-3-6-5-7/h3-5H,2H2,1H3","InChI=1S/C5H8N2/c1-3-7-5-4-6-2/h2,4-5H,3H2,1H3/b7-5+",54.61869,54.861709999999995,
16262,[C:1]([C:2]([n:3]1[c:4]([H:13])[c:5]([H:14])[n:6][c:7]1[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C-:2]([N+:3]1=[C:4]([H:13])[C:5]([H:11])([H:14])[N:6]=[C:7]1[H:15])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-2-7-4-3-6-5-7/h3-5H,2H2,1H3","InChI=1S/C5H8N2/c1-2-7-4-3-6-5-7/h2,4-5H,3H2,1H3",98.09831,52.922380000000004,
16263,[C:1]([C:2]([n:3]1[c:4]([H:13])[c:5]([H:14])[n:6][c:7]1[H:15])([H:11])[H:12])([H:8])([H:9])[H:10],[C:1]([C-:2]([N+:3]1=[C:7]([H:15])[N:6]=[C:5]([H:14])[C:4]1([H:11])[H:13])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H8N2/c1-2-7-4-3-6-5-7/h3-5H,2H2,1H3","InChI=1S/C5H8N2/c1-2-7-4-3-6-5-7/h2-3,5H,4H2,1H3",88.79085,45.747820000000004,
16264,[C:1]([C@@:2]([O:3][H:11])([C:4]#[C:5][H:12])[C:6]#[N:7])([H:8])([H:9])[H:10],[C:1]([C:2]([C:4]#[C:5][H:12])=[C:6]=[N:7][O:3][H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H5NO/c1-3-5(2,7)4-6/h1,7H,2H3/t5-/m1/s1","InChI=1S/C5H5NO/c1-3-5(2)4-6-7/h1,7H,2H3",74.01013,42.42538,
16265,[C:1]([C@@:2]([O:3][H:11])([C:4]#[C:5][H:12])[C:6]#[N:7])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([C:6]#[N:7])[C:4]([O:3][H:11])=[C:5]1[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H5NO/c1-3-5(2,7)4-6/h1,7H,2H3/t5-/m1/s1","InChI=1S/C5H5NO/c1-5(3-6)2-4(5)7/h2,7H,1H3/t5-/m1/s1",62.518,2.72932,
16266,[C:1]([C@@:2]([O:3][H:11])([C:4]#[C:5][H:12])[C:6]#[N:7])([H:8])([H:9])[H:10],[C:1]([C:2](=[O:3])[C:4]#[C:5][H:12])([H:8])([H:9])[H:10].[C:6]=[N:7][H:11],"InChI=1S/C5H5NO/c1-3-5(2,7)4-6/h1,7H,2H3/t5-/m1/s1","InChI=1S/C4H4O.CHN/c1-3-4(2)5;1-2/h1H,2H3;2H",48.95812,28.52464,
16267,[C:1]([C@@:2]([O:3][H:11])([C:4]#[C:5][H:12])[C:6]#[N:7])([H:8])([H:9])[H:10],[C:1]([C@@:2]([O:3][H:11])([C:4](=[C:5])[H:12])[C:6]#[N:7])([H:8])([H:9])[H:10],"InChI=1S/C5H5NO/c1-3-5(2,7)4-6/h1,7H,2H3/t5-/m1/s1","InChI=1S/C5H5NO/c1-3-5(2,7)4-6/h3,7H,2H3/t5-/m1/s1",44.55392,50.141690000000004,Singlet_Carbene_Intra_Disproportionation
16268,[C:1]([C@@:2]([O:3][H:11])([C:4]#[C:5][H:12])[C:6]#[N:7])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:4]=[C:5]([O:3][H:11])[H:12])[C:6]#[N:7])([H:8])([H:9])[H:10],"InChI=1S/C5H5NO/c1-3-5(2,7)4-6/h1,7H,2H3/t5-/m1/s1","InChI=1S/C5H5NO/c1-5(4-6)2-3-7/h3,7H,1H3",55.24484,-12.39936,
16269,[C:1]([C@@:2]([O:3][H:11])([C:4]#[C:5][H:12])[C:6]#[N:7])([H:8])([H:9])[H:10],[C:1]1([H:8])([H:10])[C@:2]([O:3][H:11])([C:6]#[N:7])[C:4][C:5]1([H:9])[H:12],"InChI=1S/C5H5NO/c1-3-5(2,7)4-6/h1,7H,2H3/t5-/m1/s1","InChI=1S/C5H5NO/c6-4-5(7)2-1-3-5/h7H,1-2H2/t5-/m1/s1",90.99486999999999,63.42171999999999,
16270,[C:1]([C@@:2]([O:3][H:11])([C:4]#[C:5][H:12])[C:6]#[N:7])([H:8])([H:9])[H:10],[C:1]([C:2]([O:3][H:11])=[C:4]=[C:5]([N+:7]#[C-:6])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H5NO/c1-3-5(2,7)4-6/h1,7H,2H3/t5-/m1/s1","InChI=1S/C5H5NO/c1-5(7)3-4-6-2/h4,7H,1H3",61.01911,8.57053,
16271,[C:1]([C@@:2]([O:3][H:11])([C:4]#[C:5][H:12])[C:6]#[N:7])([H:8])([H:9])[H:10],[C:1]([C@@:2]([O:3][H:11])([C:4]#[C:5][H:12])[N+:7]#[C-:6])([H:8])([H:9])[H:10],"InChI=1S/C5H5NO/c1-3-5(2,7)4-6/h1,7H,2H3/t5-/m1/s1","InChI=1S/C5H5NO/c1-4-5(2,7)6-3/h1,7H,2H3/t5-/m1/s1",48.61762,21.5777,
16272,[C:1]([C@@:2]([O:3][H:11])([C:4]#[C:5][H:12])[C:6]#[N:7])([H:8])([H:9])[H:10],[C:1]([C:2]([O:3][H:11])=[C:6]=[N:7][C:4]#[C:5][H:12])([H:8])([H:9])[H:10],"InChI=1S/C5H5NO/c1-3-5(2,7)4-6/h1,7H,2H3/t5-/m1/s1","InChI=1S/C5H5NO/c1-3-6-4-5(2)7/h1,7H,2H3",89.77225,23.40814,
16273,[C:1]([C@@:2]([O:3][H:11])([C:4]#[C:5][H:12])[C:6]#[N:7])([H:8])([H:9])[H:10],[C:1]([C@:2]1([C:4]#[C:5][H:12])[C:6]([O:3][H:11])=[N:7]1)([H:8])([H:9])[H:10],"InChI=1S/C5H5NO/c1-3-5(2,7)4-6/h1,7H,2H3/t5-/m1/s1","InChI=1S/C5H5NO/c1-3-5(2)4(7)6-5/h1H,2H3,(H,6,7)/t5-/m0/s1",59.7933,22.10203,
16274,[C:1]([C@@:2]([O:3][H:11])([C:4]#[C:5][H:12])[C:6]#[N:7])([H:8])([H:9])[H:10],[C+:2]([C:4]#[C:5][H:12])=[C:6]=[N-:7].[C:1]([O:3][H:11])([H:8])([H:9])[H:10],"InChI=1S/C5H5NO/c1-3-5(2,7)4-6/h1,7H,2H3/t5-/m1/s1","InChI=1S/C4HN.CH4O/c1-2-3-4-5;1-2/h1H;2H,1H3",87.51693,72.23585,
16275,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]2([H:12])[C:5]([H:13])([H:14])[C@@:6]1([H:15])[O:7]2)[H:8],[O:1](/[C:2](=[C:6](/[C:5]([C:4]([C:3]([H:10])([H:11])[H:12])=[O:7])([H:13])[H:14])[H:15])[H:9])[H:8],"InChI=1S/C5H8O2/c6-4-1-3-2-5(4)7-3/h3-6H,1-2H2/t3-,4+,5-/m1/s1","InChI=1S/C5H8O2/c1-5(7)3-2-4-6/h2,4,6H,3H2,1H3/b4-2+",62.97433,-26.06084,
16276,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]2([H:12])[C:5]([H:13])([H:14])[C@@:6]1([H:15])[O:7]2)[H:8],[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])=[C:5]([H:13])[C@:6]1([O:7][H:14])[H:15])[H:8],"InChI=1S/C5H8O2/c6-4-1-3-2-5(4)7-3/h3-6H,1-2H2/t3-,4+,5-/m1/s1","InChI=1S/C5H8O2/c6-4-2-1-3-5(4)7/h1-2,4-7H,3H2/t4-,5+/m1/s1",73.35894,-22.62736,
16277,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]2([H:12])[C:5]([H:13])([H:14])[C@@:6]1([H:15])[O:7]2)[H:8],[O:1]=[C:2]([C@@:6]([C:5]([C:4](=[C:3]([H:10])[H:11])[H:12])([H:13])[H:14])([O:7][H:8])[H:15])[H:9],"InChI=1S/C5H8O2/c6-4-1-3-2-5(4)7-3/h3-6H,1-2H2/t3-,4+,5-/m1/s1","InChI=1S/C5H8O2/c1-2-3-5(7)4-6/h2,4-5,7H,1,3H2/t5-/m1/s1",31.174429999999997,-16.4347,
16278,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]2([H:12])[C:5]([H:13])([H:14])[C@@:6]1([H:15])[O:7]2)[H:8],[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@@:4]([C:5]([H:13])([H:14])[H:15])([H:12])[O+:7]=[C-:6]1)[H:8],"InChI=1S/C5H8O2/c6-4-1-3-2-5(4)7-3/h3-6H,1-2H2/t3-,4+,5-/m1/s1","InChI=1S/C5H8O2/c1-4-2-5(6)3-7-4/h4-6H,2H2,1H3/t4-,5-/m0/s1",69.42199000000001,23.98155,
16279,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]2([H:12])[C:5]([H:13])([H:14])[C@@:6]1([H:15])[O:7]2)[H:8],[O:1]([C@@:2]([C:3]([C:4](=[O:7])[H:12])([H:10])[H:11])([C:6](=[C:5]([H:13])[H:14])[H:15])[H:9])[H:8],"InChI=1S/C5H8O2/c6-4-1-3-2-5(4)7-3/h3-6H,1-2H2/t3-,4+,5-/m1/s1","InChI=1S/C5H8O2/c1-2-5(7)3-4-6/h2,4-5,7H,1,3H2/t5-/m1/s1",39.2319,-15.787479999999999,
16280,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]2([H:12])[C:5]([H:13])([H:14])[C@@:6]1([H:15])[O:7]2)[H:8],[O:1]1[C@:2]2([H:9])[C:3]([H:10])([H:11])[C@@:4]([O:7][H:8])([H:12])[C:5]([H:13])([H:14])[C@:6]12[H:15],"InChI=1S/C5H8O2/c6-4-1-3-2-5(4)7-3/h3-6H,1-2H2/t3-,4+,5-/m1/s1","InChI=1S/C5H8O2/c6-3-1-4-5(2-3)7-4/h3-6H,1-2H2/t3-,4+,5-",42.314679999999996,-13.14013,
16281,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]2([H:12])[C:5]([H:13])([H:14])[C@@:6]1([H:15])[O:7]2)[H:8],[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@@:4]([C:5][H:13])([H:12])[O:7][C:6]1([H:14])[H:15])[H:8],"InChI=1S/C5H8O2/c6-4-1-3-2-5(4)7-3/h3-6H,1-2H2/t3-,4+,5-/m1/s1","InChI=1S/C5H8O2/c1-4-2-5(6)3-7-4/h1,4-6H,2-3H2/t4-,5-/m0/s1",75.83238,65.27976,
16282,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]2([H:12])[C:5]([H:13])([H:14])[C@@:6]1([H:15])[O:7]2)[H:8],[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C:5]([H:13])([H:14])[C@:6]1([O+:7]=[C-:4][H:12])[H:15])[H:8],"InChI=1S/C5H8O2/c6-4-1-3-2-5(4)7-3/h3-6H,1-2H2/t3-,4+,5-/m1/s1","InChI=1S/C5H8O2/c1-7-5-3-2-4(5)6/h1,4-6H,2-3H2/t4-,5+/m0/s1",113.17336999999999,50.46577,
16283,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]2([H:12])[C:5]([H:13])([H:14])[C@@:6]1([H:15])[O:7]2)[H:8],[O:1]([C@@:2]([C:3]([H:10])([H:11])[H:12])([C@@:6]1([H:15])[C:5]([H:13])([H:14])[C-:4]=[O+:7]1)[H:9])[H:8],"InChI=1S/C5H8O2/c6-4-1-3-2-5(4)7-3/h3-6H,1-2H2/t3-,4+,5-/m1/s1","InChI=1S/C5H8O2/c1-4(6)5-2-3-7-5/h4-6H,2H2,1H3/t4-,5+/m0/s1",60.70183000000001,44.5313,
16284,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]2([H:12])[C:5]([H:13])([H:14])[C@@:6]1([H:15])[O:7]2)[H:8],[O:1]([C:2](=[C:3]([H:10])[H:11])[C:6]([C:5]([C:4](=[O:7])[H:12])([H:13])[H:14])([H:9])[H:15])[H:8],"InChI=1S/C5H8O2/c6-4-1-3-2-5(4)7-3/h3-6H,1-2H2/t3-,4+,5-/m1/s1","InChI=1S/C5H8O2/c1-5(7)3-2-4-6/h4,7H,1-3H2",55.914190000000005,-25.906679999999998,
16285,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]2([H:12])[C:5]([H:13])([H:14])[C@@:6]1([H:15])[O:7]2)[H:8],[C-:4]1([H:12])[C:5]([H:13])([H:14])[C:6]([H:15])=[O+:7]1.[O:1]([C:2](=[C:3]([H:10])[H:11])[H:9])[H:8],"InChI=1S/C5H8O2/c6-4-1-3-2-5(4)7-3/h3-6H,1-2H2/t3-,4+,5-/m1/s1","InChI=1S/C3H4O.C2H4O/c1-2-4-3-1;1-2-3/h2-3H,1H2;2-3H,1H2",67.18281999999999,73.5674,
16286,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]2([H:12])[C:5]([H:13])([H:14])[C@@:6]1([H:15])[O:7]2)[H:8],[H:8][H:9].[O:1]=[C:2]1[C:3]([H:10])([H:11])[C@:4]2([H:12])[C:5]([H:13])([H:14])[C@@:6]1([H:15])[O:7]2,"InChI=1S/C5H8O2/c6-4-1-3-2-5(4)7-3/h3-6H,1-2H2/t3-,4+,5-/m1/s1","InChI=1S/C5H6O2.H2/c6-4-1-3-2-5(4)7-3;/h3,5H,1-2H2;1H/t3-,5-;/m1./s1",81.52393000000001,18.73713,
16287,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]2([H:12])[C:5]([H:13])([H:14])[C@@:6]1([H:15])[O:7]2)[H:8],[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[O:7][C@@:6]1([C:5]([C:4][H:12])([H:13])[H:14])[H:15])[H:8],"InChI=1S/C5H8O2/c6-4-1-3-2-5(4)7-3/h3-6H,1-2H2/t3-,4+,5-/m1/s1","InChI=1S/C5H8O2/c1-2-5-4(6)3-7-5/h1,4-6H,2-3H2/t4-,5+/m0/s1",107.60521000000001,90.10661999999999,
16288,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]2([H:12])[C:5]([H:13])([H:14])[C@@:6]1([H:15])[O:7]2)[H:8],[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@@:4]([C:5]([C:6][H:15])([H:13])[H:14])([H:12])[O:7]1)[H:8],"InChI=1S/C5H8O2/c6-4-1-3-2-5(4)7-3/h3-6H,1-2H2/t3-,4+,5-/m1/s1","InChI=1S/C5H8O2/c1-2-4-3-5(6)7-4/h1,4-6H,2-3H2/t4-,5+/m0/s1",91.8623,81.39887,
16289,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]2([H:12])[C:5]([H:13])([H:14])[C@@:6]1([H:15])[O:7]2)[H:8],[C:2]1([H:9])=[C:3]([H:10])[C@:4]2([H:12])[C:5]([H:13])([H:14])[C@@:6]1([H:15])[O:7]2.[O:1]([H:8])[H:11],"InChI=1S/C5H8O2/c6-4-1-3-2-5(4)7-3/h3-6H,1-2H2/t3-,4+,5-/m1/s1","InChI=1S/C5H6O.H2O/c1-2-5-3-4(1)6-5;/h1-2,4-5H,3H2;1H2/t4-,5+;",66.31919,30.462190000000003,"1,3_Insertion_ROR"
16290,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]2([H:12])[C:5]([H:13])([H:14])[C@@:6]1([H:15])[O:7]2)[H:8],[O:1]([C@@:2]([C:3]([C:4][H:12])([H:10])[H:11])([C@@:6]1([H:15])[C:5]([H:13])([H:14])[O:7]1)[H:9])[H:8],"InChI=1S/C5H8O2/c6-4-1-3-2-5(4)7-3/h3-6H,1-2H2/t3-,4+,5-/m1/s1","InChI=1S/C5H8O2/c1-2-4(6)5-3-7-5/h1,4-6H,2-3H2/t4-,5+/m0/s1",95.94386,83.94569,
16291,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]2([H:12])[C:5]([H:13])([H:14])[C@@:6]1([H:15])[O:7]2)[H:8],[O:1]([C+:2]([C@@:6]1([H:15])[C-:5]([H:14])[C@:4]([C:3]([H:10])([H:11])[H:13])([H:12])[O:7]1)[H:9])[H:8],"InChI=1S/C5H8O2/c6-4-1-3-2-5(4)7-3/h3-6H,1-2H2/t3-,4+,5-/m1/s1","InChI=1S/C5H8O2/c1-4-2-5(3-6)7-4/h2-6H,1H3/t4-,5-/m1/s1",96.6957,75.43551,
16292,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]2([H:12])[C:5]([H:13])([H:14])[C@@:6]1([H:15])[O:7]2)[H:8],[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C:4][C:5]([H:13])([H:14])[C@:6]1([O:7][H:12])[H:15])[H:8],"InChI=1S/C5H8O2/c6-4-1-3-2-5(4)7-3/h3-6H,1-2H2/t3-,4+,5-/m1/s1","InChI=1S/C5H8O2/c6-4-2-1-3-5(4)7/h4-7H,2-3H2/t4-,5+",60.897369999999995,51.22183,
16293,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]2([H:12])[C:5]([H:13])([H:14])[C@@:6]1([H:15])[O:7]2)[H:8],[O:1]([C:2](=[C:3]([H:10])[H:11])[C@@:6]1([H:15])[C:5]([H:13])([H:14])[C:4]([H:9])([H:12])[O:7]1)[H:8],"InChI=1S/C5H8O2/c6-4-1-3-2-5(4)7-3/h3-6H,1-2H2/t3-,4+,5-/m1/s1","InChI=1S/C5H8O2/c1-4(6)5-2-3-7-5/h5-6H,1-3H2/t5-/m1/s1",82.68018000000001,-0.31451999999999997,
16294,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]2([H:12])[C:5]([H:13])([H:14])[C@@:6]1([H:15])[O:7]2)[H:8],[C:3]1([H:10])([H:11])[C@@:4]2([H:12])[C:5]([H:13])([H:14])[C@:6]1([H:15])[O:7]2.[O:1]([C:2][H:9])[H:8],"InChI=1S/C5H8O2/c6-4-1-3-2-5(4)7-3/h3-6H,1-2H2/t3-,4+,5-/m1/s1","InChI=1S/C4H6O.CH2O/c1-3-2-4(1)5-3;1-2/h3-4H,1-2H2;1-2H/t3-,4+;",121.66932,109.88191,
16295,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]2([H:12])[C:5]([H:13])([H:14])[C@@:6]1([H:15])[O:7]2)[H:8],[O:1]([C@@:2]([C:3]([C@:4]1([H:12])[C:5]([H:13])([H:14])[O:7]1)([H:10])[H:11])([C:6][H:15])[H:9])[H:8],"InChI=1S/C5H8O2/c6-4-1-3-2-5(4)7-3/h3-6H,1-2H2/t3-,4+,5-/m1/s1","InChI=1S/C5H8O2/c1-4(6)2-5-3-7-5/h1,4-6H,2-3H2/t4-,5-/m1/s1",93.0607,79.29183,
16296,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]2([H:12])[C:5]([H:13])([H:14])[C@@:6]1([H:15])[O:7]2)[H:8],[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[O:7][C@@:6]1([C:5][H:14])[H:15])[H:8],"InChI=1S/C5H8O2/c6-4-1-3-2-5(4)7-3/h3-6H,1-2H2/t3-,4+,5-/m1/s1","InChI=1S/C5H8O2/c1-4-5(6)2-3-7-4/h1,4-6H,2-3H2/t4-,5+/m1/s1",79.04419,71.0811,
16297,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]2([H:12])[C:5]([H:13])([H:14])[C@@:6]1([H:15])[O:7]2)[H:8],[O:1]([C:2][C@@:6]1([H:15])[C:5]([H:13])([H:14])[C@:4]([C:3]([H:9])([H:10])[H:11])([H:12])[O:7]1)[H:8],"InChI=1S/C5H8O2/c6-4-1-3-2-5(4)7-3/h3-6H,1-2H2/t3-,4+,5-/m1/s1","InChI=1S/C5H8O2/c1-4-2-5(3-6)7-4/h4-6H,2H2,1H3/t4-,5-/m1/s1",59.01951,39.502590000000005,
16298,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]2([H:12])[C:5]([H:13])([H:14])[C@@:6]1([H:15])[O:7]2)[H:8],[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C-:4]=[O+:7][C@@:6]1([C:5]([H:12])([H:13])[H:14])[H:15])[H:8],"InChI=1S/C5H8O2/c6-4-1-3-2-5(4)7-3/h3-6H,1-2H2/t3-,4+,5-/m1/s1","InChI=1S/C5H8O2/c1-4-5(6)2-3-7-4/h4-6H,2H2,1H3/t4-,5+/m1/s1",67.418,22.79125,
16299,[O:1]([C@@:2]1([H:9])[C:3]([H:10])([H:11])[C@:4]2([H:12])[C:5]([H:13])([H:14])[C@@:6]1([H:15])[O:7]2)[H:8],[H:11][H:12].[O:1]([C@@:2]1([H:9])[C:3]([H:10])=[C:4]2[C:5]([H:13])([H:14])[C@@:6]1([H:15])[O:7]2)[H:8],"InChI=1S/C5H8O2/c6-4-1-3-2-5(4)7-3/h3-6H,1-2H2/t3-,4+,5-/m1/s1","InChI=1S/C5H6O2.H2/c6-4-1-3-2-5(4)7-3;/h1,4-6H,2H2;1H/t4-,5+;/m0./s1",125.76765,95.5469,
16300,[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])=[C:6]([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3]([H:12])([H:17])[C:4]([H:13])([H:14])[C+:5]([H:15])[C:6]([H:16])=[C-:7]1)([H:8])([H:9])[H:10],"InChI=1S/C7H10/c1-5-6-3-2-4-7(5)6/h2-3,5-7H,4H2,1H3/t5-,6+,7-/m1/s1","InChI=1S/C7H10/c1-7-5-3-2-4-6-7/h2-3,7H,4,6H2,1H3/t7-/m1/s1",63.95046,58.51655,
16301,[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])=[C:6]([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C:2]([C:7]1([H:17])[C:3]([H:12])=[C:4]([H:14])[C:5]([H:15])=[C:6]1[H:16])([H:9])[H:11])([H:8])([H:10])[H:13],"InChI=1S/C7H10/c1-5-6-3-2-4-7(5)6/h2-3,5-7H,4H2,1H3/t5-,6+,7-/m1/s1","InChI=1S/C7H10/c1-2-7-5-3-4-6-7/h3-7H,2H2,1H3",83.43145,-9.81746,
16302,[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])=[C:6]([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])[C@:6]([C:5](=[C:4]([H:13])[H:14])[H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],"InChI=1S/C7H10/c1-5-6-3-2-4-7(5)6/h2-3,5-7H,4H2,1H3/t5-,6+,7-/m1/s1","InChI=1S/C7H10/c1-3-5-6-4(2)7(5)6/h3-7H,1H2,2H3/t4-,5+,6-,7+",72.15746999999999,35.20977,
16303,[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])=[C:6]([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C@:3]([C:4]([C:5](=[C:6])[H:15])([H:13])[H:14])([H:12])[C:7]1([H:16])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C7H10/c1-5-6-3-2-4-7(5)6/h2-3,5-7H,4H2,1H3/t5-,6+,7-/m1/s1","InChI=1S/C7H10/c1-3-4-7-5-6(7)2/h3,6-7H,4-5H2,2H3/t6-,7+/m1/s1",80.29414,80.35556,
16304,[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])=[C:6]([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C+:2]1([H:11])[C@@:3]2([H:12])[C:4]([H:13])([H:14])[C-:5]=[C:6]([H:16])[C@@:7]12[H:17].[C:1]([H:8])([H:9])([H:10])[H:15],"InChI=1S/C7H10/c1-5-6-3-2-4-7(5)6/h2-3,5-7H,4H2,1H3/t5-,6+,7-/m1/s1","InChI=1S/C6H6.CH4/c1-2-5-4-6(5)3-1;/h2,4-6H,3H2;1H4/t5-,6+;/m0./s1",130.01456000000002,95.73088,
16305,[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])=[C:6]([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C@:3]2([H:12])[C:4]([H:13])([H:14])[C@@:5]1([H:15])[C:6]([H:16])=[C:7]2[H:17])([H:8])([H:9])[H:10],"InChI=1S/C7H10/c1-5-6-3-2-4-7(5)6/h2-3,5-7H,4H2,1H3/t5-,6+,7-/m1/s1","InChI=1S/C7H10/c1-5-6-2-3-7(5)4-6/h2-3,5-7H,4H2,1H3/t5-,6-,7+",53.77992,20.15484,
16306,[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])=[C:6]([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C@:3]([C:4]([H:13])([H:14])[H:15])([H:12])[C@:7]1([C:6](=[C:5])[H:16])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C7H10/c1-5-6-3-2-4-7(5)6/h2-3,5-7H,4H2,1H3/t5-,6+,7-/m1/s1","InChI=1S/C7H10/c1-4-7-5(2)6(7)3/h4-7H,2-3H3/t5-,6+,7-",75.86991,76.9456,
16307,[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])=[C:6]([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1](=[C:2]([C@@:3]1([H:12])[C:4]([H:13])([H:14])[C:5]([H:9])([H:15])[C:6]([H:16])=[C:7]1[H:17])[H:11])([H:8])[H:10],"InChI=1S/C7H10/c1-5-6-3-2-4-7(5)6/h2-3,5-7H,4H2,1H3/t5-,6+,7-/m1/s1","InChI=1S/C7H10/c1-2-7-5-3-4-6-7/h2-3,5,7H,1,4,6H2/t7-/m1/s1",33.85777,-2.52027,
16308,[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])=[C:6]([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])([H:16])[C:6][C@@:7]12[H:17])([H:8])([H:9])[H:10],"InChI=1S/C7H10/c1-5-6-3-2-4-7(5)6/h2-3,5-7H,4H2,1H3/t5-,6+,7-/m1/s1","InChI=1S/C7H10/c1-5-6-3-2-4-7(5)6/h5-7H,2-3H2,1H3/t5-,6+,7-/m0/s1",67.69874,66.91044000000001,Singlet_Carbene_Intra_Disproportionation
16309,[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])=[C:6]([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:3]([C:7](=[C:6](/[C:5](=[C:4]([H:13])[H:14])[H:15])[H:16])\[H:17])/[H:12])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C7H10/c1-5-6-3-2-4-7(5)6/h2-3,5-7H,4H2,1H3/t5-,6+,7-/m1/s1","InChI=1S/C7H10/c1-3-5-7-6-4-2/h3-7H,1H2,2H3/b6-4-,7-5-",44.932759999999995,3.87891,
16310,[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])=[C:6]([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C:3][C:4]([H:13])([H:14])[C:5]([H:15])=[C:6]([H:16])[C:7]1([H:12])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C7H10/c1-5-6-3-2-4-7(5)6/h2-3,5-7H,4H2,1H3/t5-,6+,7-/m1/s1","InChI=1S/C7H10/c1-7-5-3-2-4-6-7/h2-3,7H,4-5H2,1H3/t7-/m1/s1",66.69686,63.94359,
16311,[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])=[C:6]([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])([H:17])[C:6]([H:16])=[C:7]12)([H:8])([H:9])[H:10],"InChI=1S/C7H10/c1-5-6-3-2-4-7(5)6/h2-3,5-7H,4H2,1H3/t5-,6+,7-/m1/s1","InChI=1S/C7H10/c1-5-6-3-2-4-7(5)6/h3,5,7H,2,4H2,1H3/t5-,7-/m1/s1",89.95886999999999,32.21512,
16312,[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])=[C:6]([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])[C:4]([H:13])([H:14])[C-:5]([H:15])[C:6]([H:16])([H:17])[C+:7]12)([H:8])([H:9])[H:10],"InChI=1S/C7H10/c1-5-6-3-2-4-7(5)6/h2-3,5-7H,4H2,1H3/t5-,6+,7-/m1/s1","InChI=1S/C7H10/c1-5-6-3-2-4-7(5)6/h2,5-6H,3-4H2,1H3/t5-,6+/m0/s1",89.95716,85.30425,
16313,[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])=[C:6]([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1](=[C:2]([C@@:3]1([H:12])[C:4]([H:13])([H:14])[C@@:5]2([H:15])[C:6]([H:9])([H:16])[C@@:7]12[H:17])[H:11])([H:8])[H:10],"InChI=1S/C7H10/c1-5-6-3-2-4-7(5)6/h2-3,5-7H,4H2,1H3/t5-,6+,7-/m1/s1","InChI=1S/C7H10/c1-2-5-3-6-4-7(5)6/h2,5-7H,1,3-4H2/t5-,6-,7-/m0/s1",72.98765999999999,23.929779999999997,
16314,[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])=[C:6]([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:3]1([H:12])[C:4]([H:13])([H:14])[C+:5]([H:15])[C:6]([H:16])=[C-:7]1)([H:11])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C7H10/c1-5-6-3-2-4-7(5)6/h2-3,5-7H,4H2,1H3/t5-,6+,7-/m1/s1","InChI=1S/C7H10/c1-2-7-5-3-4-6-7/h3-4,7H,2,5H2,1H3/t7-/m0/s1",59.84271999999999,56.949290000000005,
16315,[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])=[C:6]([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C:2]([C@@:7]1([H:17])[C:3][C:4]([H:13])([H:14])[C:5]([H:15])=[C:6]1[H:16])([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C7H10/c1-5-6-3-2-4-7(5)6/h2-3,5-7H,4H2,1H3/t5-,6+,7-/m1/s1","InChI=1S/C7H10/c1-2-7-5-3-4-6-7/h3,5,7H,2,4H2,1H3/t7-/m1/s1",65.67586,66.98222,
16316,[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])=[C:6]([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C:2][C:3]1([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])=[C:6]([H:16])[C:7]1([H:11])[H:17])([H:8])([H:9])[H:10],"InChI=1S/C7H10/c1-5-6-3-2-4-7(5)6/h2-3,5-7H,4H2,1H3/t5-,6+,7-/m1/s1","InChI=1S/C7H10/c1-2-7-5-3-4-6-7/h3-4,7H,5-6H2,1H3",63.39741,67.75539,
16317,[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])=[C:6]([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C:2][C@@:7]1([H:17])[C:3]([H:11])([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])=[C:6]1[H:16])([H:8])([H:9])[H:10],"InChI=1S/C7H10/c1-5-6-3-2-4-7(5)6/h2-3,5-7H,4H2,1H3/t5-,6+,7-/m1/s1","InChI=1S/C7H10/c1-2-7-5-3-4-6-7/h3,5,7H,4,6H2,1H3/t7-/m1/s1",66.51778,68.49768,
16318,[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])=[C:6]([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C:2](=[C:3]1[C:4]([H:13])([H:14])[C:5]([H:15])=[C:6]([H:16])[C:7]1([H:12])[H:17])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C7H10/c1-5-6-3-2-4-7(5)6/h2-3,5-7H,4H2,1H3/t5-,6+,7-/m1/s1","InChI=1S/C7H10/c1-2-7-5-3-4-6-7/h2-4H,5-6H2,1H3",66.71037,-9.107280000000001,
16319,[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])=[C:6]([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])[C-:4]=[C:5]([H:15])[C+:6]([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10].[H:13][H:14],"InChI=1S/C7H10/c1-5-6-3-2-4-7(5)6/h2-3,5-7H,4H2,1H3/t5-,6+,7-/m1/s1","InChI=1S/C7H8.H2/c1-5-6-3-2-4-7(5)6;/h2-3,5-7H,1H3;1H/t5-,6+,7-;/m1./s1",81.35083,89.11284,
16320,[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])=[C:6]([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:7](\[C:3](=[C:4]([H:13])[H:14])[H:12])[H:17])[H:11])([H:8])([H:9])[H:10].[C:5](#[C:6][H:16])[H:15],"InChI=1S/C7H10/c1-5-6-3-2-4-7(5)6/h2-3,5-7H,4H2,1H3/t5-,6+,7-/m1/s1","InChI=1S/C5H8.C2H2/c1-3-5-4-2;1-2/h3-5H,1H2,2H3;1-2H/b5-4-;",88.29954000000001,46.28768,
16321,[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])=[C:6]([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])[C:4]([H:13])([H:14])[C:5](=[C:6]([H:15])[H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],"InChI=1S/C7H10/c1-5-6-3-2-4-7(5)6/h2-3,5-7H,4H2,1H3/t5-,6+,7-/m1/s1","InChI=1S/C7H10/c1-4-3-6-5(2)7(4)6/h5-7H,1,3H2,2H3/t5-,6+,7-/m0/s1",99.59687,20.5124,
16322,[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])=[C:6]([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1](=[C:2]([C@@:3]1([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])=[C:6]=[C:7]1[H:17])[H:11])([H:8])[H:10].[H:9][H:16],"InChI=1S/C7H10/c1-5-6-3-2-4-7(5)6/h2-3,5-7H,4H2,1H3/t5-,6+,7-/m1/s1","InChI=1S/C7H8.H2/c1-2-7-5-3-4-6-7;/h2-3,6-7H,1,5H2;1H/t7-;/m0./s1",99.63204,86.16157,
16323,[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])=[C:6]([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])[C:4]([H:13])([H:14])[C:5][C:6]([H:15])([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],"InChI=1S/C7H10/c1-5-6-3-2-4-7(5)6/h2-3,5-7H,4H2,1H3/t5-,6+,7-/m1/s1","InChI=1S/C7H10/c1-5-6-3-2-4-7(5)6/h5-7H,3-4H2,1H3/t5-,6+,7-",69.40065,71.30197,Singlet_Carbene_Intra_Disproportionation
16324,[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])=[C:6]([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:2]([C:3](=[C:4]([H:13])[H:14])[H:12])([C:7]1([H:17])[C:5]([H:15])=[C:6]1[H:16])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C7H10/c1-5-6-3-2-4-7(5)6/h2-3,5-7H,4H2,1H3/t5-,6+,7-/m1/s1","InChI=1S/C7H10/c1-3-6(2)7-4-5-7/h3-7H,1H2,2H3/t6-/m0/s1",78.10906,41.58543,
16325,[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])=[C:6]([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C@@:7]1([H:17])[C@:3]([C:2][H:11])([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])=[C:6]1[H:16])([H:8])([H:9])[H:10],"InChI=1S/C7H10/c1-5-6-3-2-4-7(5)6/h2-3,5-7H,4H2,1H3/t5-,6+,7-/m1/s1","InChI=1S/C7H10/c1-6-4-3-5-7(6)2/h1,3,5-7H,4H2,2H3/t6-,7+/m0/s1",92.55882,79.3997,
16326,[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])=[C:6]([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1]([C:2]1=[C:7]([H:17])[C:6]([H:16])=[C:5]([H:15])[C:4]([H:13])([H:14])[C:3]1([H:11])[H:12])([H:8])([H:9])[H:10],"InChI=1S/C7H10/c1-5-6-3-2-4-7(5)6/h2-3,5-7H,4H2,1H3/t5-,6+,7-/m1/s1","InChI=1S/C7H10/c1-7-5-3-2-4-6-7/h2-3,5H,4,6H2,1H3",66.57758000000001,40.5546,
16327,[C:1]([C@@:2]1([H:11])[C@@:3]2([H:12])[C:4]([H:13])([H:14])[C:5]([H:15])=[C:6]([H:16])[C@@:7]12[H:17])([H:8])([H:9])[H:10],[C:1](/[C:2](=[C:3](\[C:4]([C:5](=[C:6]=[C:7]([H:16])[H:17])[H:15])([H:13])[H:14])[H:12])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C7H10/c1-5-6-3-2-4-7(5)6/h2-3,5-7H,4H2,1H3/t5-,6+,7-/m1/s1","InChI=1S/C7H10/c1-3-5-7-6-4-2/h4-6H,1,7H2,2H3/b6-4-",78.80492,17.0105,
16328,[N:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5]([O:6][H:12])[n:7]1)([H:8])[H:9],[N:1]([C:2]1=[C-:3][N+:4]([H:10])([H:11])[C:5]([O:6][H:12])=[N:7]1)([H:8])[H:9],"InChI=1S/C3H5N3O/c4-2-1-5-3(7)6-2/h1H,4H2,(H2,5,6,7)","InChI=1S/C3H5N3O/c4-2-1-5-3(7)6-2/h4-5H2,(H,6,7)",86.15508,81.19876,
16329,[N:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5]([O:6][H:12])[n:7]1)([H:8])[H:9],[N:1]([C@:2]1([H:10])[C-:3]=[N+:4]([H:11])[C:5]([O:6][H:12])=[N:7]1)([H:8])[H:9],"InChI=1S/C3H5N3O/c4-2-1-5-3(7)6-2/h1H,4H2,(H2,5,6,7)","InChI=1S/C3H5N3O/c4-2-1-5-3(7)6-2/h2,5H,4H2,(H,6,7)/t2-/m0/s1",57.997519999999994,54.360980000000005,Singlet_Carbene_Intra_Disproportionation
16330,[N:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5]([O:6][H:12])[n:7]1)([H:8])[H:9],[N:1]([C:3](=[C:2]=[N:7][C:5](=[N:4][H:11])[O:6][H:12])[H:10])([H:8])[H:9],"InChI=1S/C3H5N3O/c4-2-1-5-3(7)6-2/h1H,4H2,(H2,5,6,7)","InChI=1S/C3H5N3O/c4-1-2-6-3(5)7/h1H,4H2,(H2,5,7)",75.23196,36.20893,
16331,[N:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5]([O:6][H:12])[n:7]1)([H:8])[H:9],[N:1]([C:2]1=[N:7][C@@:5]([O:6][H:12])([H:11])[N:4]=[C:3]1[H:10])([H:8])[H:9],"InChI=1S/C3H5N3O/c4-2-1-5-3(7)6-2/h1H,4H2,(H2,5,6,7)","InChI=1S/C3H5N3O/c4-2-1-5-3(7)6-2/h1,3,7H,(H2,4,6)/t3-/m1/s1",43.90922,14.21969,
16332,[N:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5]([O:6][H:12])[n:7]1)([H:8])[H:9],[N:1]([C:2]1=[N:7][C:5]([O:6][H:12])=[N:4][C:3]1([H:10])[H:11])([H:8])[H:9],"InChI=1S/C3H5N3O/c4-2-1-5-3(7)6-2/h1H,4H2,(H2,5,6,7)","InChI=1S/C3H5N3O/c4-2-1-5-3(7)6-2/h1H2,(H3,4,5,6,7)",40.392340000000004,-0.92548,
16333,[N:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5]([O:6][H:12])[n:7]1)([H:8])[H:9],[N:1](=[C:2]1[C:3]([H:8])([H:10])[N:4]([H:11])[C:5]([O:6][H:12])=[N:7]1)[H:9],"InChI=1S/C3H5N3O/c4-2-1-5-3(7)6-2/h1H,4H2,(H2,5,6,7)","InChI=1S/C3H5N3O/c4-2-1-5-3(7)6-2/h1H2,(H3,4,5,6,7)",61.00666,-0.18495999999999999,
16335,[N:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5]([O:6][H:12])[n:7]1)([H:8])[H:9],[N:1]([C:2](/[C:3](=[N:4]/[H:11])[H:10])=[N+:7]=[C-:5][O:6][H:12])([H:8])[H:9],"InChI=1S/C3H5N3O/c4-2-1-5-3(7)6-2/h1H,4H2,(H2,5,6,7)","InChI=1S/C3H5N3O/c4-1-3(5)6-2-7/h1,4,7H,5H2/b4-1+",57.06734,46.03765,
16336,[N:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5]([O:6][H:12])[n:7]1)([H:8])[H:9],[N:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5](=[O:6])[n:7]1[H:12])([H:8])[H:9],"InChI=1S/C3H5N3O/c4-2-1-5-3(7)6-2/h1H,4H2,(H2,5,6,7)","InChI=1S/C3H5N3O/c4-2-1-5-3(7)6-2/h1H,4H2,(H2,5,6,7)",35.34169,-5.73024,ketoenol
16337,[N:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5]([O:6][H:12])[n:7]1)([H:8])[H:9],[N-:1]([c:2]1[c:3]([H:10])[n+:4]([H:11])[c:5]([O:6][H:12])[n:7]1[H:9])[H:8],"InChI=1S/C3H5N3O/c4-2-1-5-3(7)6-2/h1H,4H2,(H2,5,6,7)","InChI=1S/C3H4N3O/c4-2-1-5-3(7)6-2/h1,4H,(H2,5,6,7)/q-1/p+1",58.06234,33.1771,
16338,[N:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5]([O:6][H:12])[n:7]1)([H:8])[H:9],[N:1]([C:2]1=[N+:7]=[C-:5][N:4]([H:11])[C@@:3]1([O:6][H:12])[H:10])([H:8])[H:9],"InChI=1S/C3H5N3O/c4-2-1-5-3(7)6-2/h1H,4H2,(H2,5,6,7)","InChI=1S/C3H5N3O/c4-2-3(7)6-1-5-2/h3,6-7H,4H2/t3-/m1/s1",112.80835,51.26278,
16339,[N:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5]([O:6][H:12])[n:7]1)([H:8])[H:9],[H:11][H:12].[N:1]([C+:2]1[C:3]([H:10])=[N:4][C:5](=[O:6])[N-:7]1)([H:8])[H:9],"InChI=1S/C3H5N3O/c4-2-1-5-3(7)6-2/h1H,4H2,(H2,5,6,7)","InChI=1S/C3H3N3O.H2/c4-2-1-5-3(7)6-2;/h1H,4H2;1H",69.82134,28.696659999999998,
16340,[N:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5]([O:6][H:12])[n:7]1)([H:8])[H:9],[N:1]([C:2]#[N+:7][C-:5](/[C:3](=[N:4]/[H:11])[H:10])[O:6][H:12])([H:8])[H:9],"InChI=1S/C3H5N3O/c4-2-1-5-3(7)6-2/h1H,4H2,(H2,5,6,7)","InChI=1S/C3H5N3O/c4-1-3(7)6-2-5/h1,4,7H,5H2/b4-1+",73.86155,46.28425,
16341,[N:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5]([O:6][H:12])[n:7]1)([H:8])[H:9],[N:1]([C:2]1=[N:7][C:5](=[O:6])[N:4]([H:11])[C:3]1([H:10])[H:12])([H:8])[H:9],"InChI=1S/C3H5N3O/c4-2-1-5-3(7)6-2/h1H,4H2,(H2,5,6,7)","InChI=1S/C3H5N3O/c4-2-1-5-3(7)6-2/h1H2,(H3,4,5,6,7)",81.09335,-11.132660000000001,
16342,[N:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5]([O:6][H:12])[n:7]1)([H:8])[H:9],[N:1]([C:2]1=[C:3]([H:10])[N:7]1/[C:5](=[N:4]/[H:11])[O:6][H:12])([H:8])[H:9],"InChI=1S/C3H5N3O/c4-2-1-5-3(7)6-2/h1H,4H2,(H2,5,6,7)","InChI=1S/C3H5N3O/c4-2-1-6(2)3(5)7/h1H,4H2,(H2,5,7)",80.52327,74.65085,
16343,[N:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5]([O:6][H:12])[n:7]1)([H:8])[H:9],[N:1]([C@@:3]1([H:10])[C-:2]=[N+:7]=[C:5]([O:6][H:12])[N:4]1[H:11])([H:8])[H:9],"InChI=1S/C3H5N3O/c4-2-1-5-3(7)6-2/h1H,4H2,(H2,5,6,7)","InChI=1S/C3H5N3O/c4-2-1-5-3(7)6-2/h2,6-7H,4H2/t2-/m1/s1",83.10725,62.83263,
16344,[N:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5]([O:6][H:12])[n:7]1)([H:8])[H:9],[N+:1]([c:2]1[c-:3][n:4]([H:11])[c:5]([O:6][H:12])[n:7]1)([H:8])([H:9])[H:10],"InChI=1S/C3H5N3O/c4-2-1-5-3(7)6-2/h1H,4H2,(H2,5,6,7)","InChI=1S/C3H4N3O/c4-2-1-5-3(7)6-2/h4H2,(H2,5,6,7)/q-1/p+1",71.86238,65.87807,
16345,[N:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5]([O:6][H:12])[n:7]1)([H:8])[H:9],[H:8][H:9].[N-:1]=[C:2]1[C:3]([H:10])=[N+:4]([H:11])[C:5]([O:6][H:12])=[N:7]1,"InChI=1S/C3H5N3O/c4-2-1-5-3(7)6-2/h1H,4H2,(H2,5,6,7)","InChI=1S/C3H2N3O.H2/c4-2-1-5-3(7)6-2;/h1H,(H-,4,6,7);1H/q-1;/p+1",81.80185,82.35448000000001,
16346,[N:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5]([O:6][H:12])[n:7]1)([H:8])[H:9],[N:1]([C:2](/[C:3](=[N:4]/[H:11])[H:10])=[N:7]/[C:5](=[O:6])[H:12])([H:8])[H:9],"InChI=1S/C3H5N3O/c4-2-1-5-3(7)6-2/h1H,4H2,(H2,5,6,7)","InChI=1S/C3H5N3O/c4-1-3(5)6-2-7/h1-2,4H,(H2,5,6,7)/b4-1+",60.027390000000004,16.46783,
16347,[N:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5]([O:6][H:12])[n:7]1)([H:8])[H:9],[N+:1]1([H:8])([H:9])[C:2](=[C:3]([N+:4](=[C-:5][O:6][H:12])[H:11])[H:10])[N-:7]1,"InChI=1S/C3H5N3O/c4-2-1-5-3(7)6-2/h1H,4H2,(H2,5,6,7)","InChI=1S/C3H5N3O/c7-2-4-1-3-5-6-3/h1,4,7H,5H2",117.58989,123.85858999999999,
16348,[N:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5]([O:6][H:12])[n:7]1)([H:8])[H:9],[N:1]([n+:7]1[c-:2][c:3]([H:10])[n:4]([H:11])[c:5]1[O:6][H:12])([H:8])[H:9],"InChI=1S/C3H5N3O/c4-2-1-5-3(7)6-2/h1H,4H2,(H2,5,6,7)","InChI=1S/C3H5N3O/c4-6-2-1-5-3(6)7/h1,5,7H,4H2",125.05623999999999,84.3203,
16349,[N:1]([c:2]1[c:3]([H:10])[n:4]([H:11])[c:5]([O:6][H:12])[n:7]1)([H:8])[H:9],[N-:1]([C+:2]1[C-:3]([H:10])[N+:4]([H:9])([H:11])[C+:5]([O:6][H:12])[N-:7]1)[H:8],"InChI=1S/C3H5N3O/c4-2-1-5-3(7)6-2/h1H,4H2,(H2,5,6,7)","InChI=1S/C3H5N3O/c4-2-1-5-3(7)6-2/h1,4,7H,5H2",107.17556,72.59995,
16350,[C:1]([C@@:2]([O:3][H:12])([C:4]([O:5][C:6](=[O:7])[H:15])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2](=[O:3])[C:4]([O:5][C:6]([O:7][H:12])([H:11])[H:15])([H:13])[H:14])([H:8])([H:9])[H:10],"InChI=1S/C4H8O3/c1-4(6)2-7-3-5/h3-4,6H,2H2,1H3/t4-/m1/s1","InChI=1S/C4H8O3/c1-4(6)2-7-3-5/h5H,2-3H2,1H3",44.59447,15.292639999999999,
16351,[C:1]([C@@:2]([O:3][H:12])([C:4]([O:5][C:6](=[O:7])[H:15])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]1([H:11])[O:3][C:4]1([H:13])[H:14])([H:8])([H:9])[H:10].[O:5]=[C:6]([O:7][H:12])[H:15],"InChI=1S/C4H8O3/c1-4(6)2-7-3-5/h3-4,6H,2H2,1H3/t4-/m1/s1","InChI=1S/C3H6O.CH2O2/c1-3-2-4-3;2-1-3/h3H,2H2,1H3;1H,(H,2,3)/t3-;/m1./s1",47.074529999999996,25.60851,
16352,[C:1]([C@@:2]([O:3][H:12])([C:4]([O:5][C:6](=[O:7])[H:15])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]([O:3][H:12])([O:7][C:6](=[O+:5][C-:4]([H:13])[H:14])[H:15])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H8O3/c1-4(6)2-7-3-5/h3-4,6H,2H2,1H3/t4-/m1/s1","InChI=1S/C4H8O3/c1-4(5)7-3-6-2/h3-5H,2H2,1H3/t4-/m0/s1",83.57714,76.94143000000001,
16353,[C:1]([C@@:2]([O:3][H:12])([C:4]([O:5][C:6](=[O:7])[H:15])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2]([O:3][H:12])=[C:4]([H:13])[H:14])([H:8])([H:9])[H:10].[O:5]=[C:6]([O:7][H:11])[H:15],"InChI=1S/C4H8O3/c1-4(6)2-7-3-5/h3-4,6H,2H2,1H3/t4-/m1/s1","InChI=1S/C3H6O.CH2O2/c1-3(2)4;2-1-3/h4H,1H2,2H3;1H,(H,2,3)",44.16089,4.81671,Retroene
16354,[C:1]([C@@:2]([O:3][H:12])([C:4]([O:5][C:6](=[O:7])[H:15])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]([O:3][H:12])([C:4]([O+:5]=[C-:6][O:7][H:15])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],"InChI=1S/C4H8O3/c1-4(6)2-7-3-5/h3-4,6H,2H2,1H3/t4-/m1/s1","InChI=1S/C4H8O3/c1-4(6)2-7-3-5/h4-6H,2H2,1H3/t4-/m1/s1",76.19601999999999,46.09366,
16355,[C:1]([C@@:2]([O:3][H:12])([C:4]([O:5][C:6](=[O:7])[H:15])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([H:8])([H:9])([H:10])[H:13].[C:2](\[O:3][H:12])(=[C:4](\[O:5][C:6](=[O:7])[H:15])[H:14])[H:11],"InChI=1S/C4H8O3/c1-4(6)2-7-3-5/h3-4,6H,2H2,1H3/t4-/m1/s1",InChI=1S/C3H4O3.CH4/c4-1-2-6-3-5;/h1-4H;1H4/b2-1-;,68.79169,12.01929,
16356,[C:1]([C@@:2]([O:3][H:12])([C:4]([O:5][C:6](=[O:7])[H:15])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2][C:4]([O:5][C:6](=[O:7])[H:15])([H:13])[H:14])([H:8])([H:9])[H:10].[O:3]([H:11])[H:12],"InChI=1S/C4H8O3/c1-4(6)2-7-3-5/h3-4,6H,2H2,1H3/t4-/m1/s1","InChI=1S/C4H6O2.H2O/c1-2-3-6-4-5;/h4H,3H2,1H3;1H2",69.78745,80.2227,
16357,[C:1]([C@@:2]([O:3][H:12])([C:4]([O:5][C:6](=[O:7])[H:15])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C@@:2]([O:3][H:12])([C:4](=[O:5])[H:14])[H:11])([H:8])([H:9])[H:10].[C:6](=[O:7])([H:13])[H:15],"InChI=1S/C4H8O3/c1-4(6)2-7-3-5/h3-4,6H,2H2,1H3/t4-/m1/s1","InChI=1S/C3H6O2.CH2O/c1-3(5)2-4;1-2/h2-3,5H,1H3;1H2/t3-;/m1./s1",66.25125,33.62857,
16358,[C:1]([C@@:2]([O:3][H:12])([C:4]([O:5][C:6](=[O:7])[H:15])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2](=[O:3])[H:11])([H:8])([H:9])[H:10].[C:4](=[O:5])([H:13])[H:14].[C:6](=[O:7])([H:12])[H:15],"InChI=1S/C4H8O3/c1-4(6)2-7-3-5/h3-4,6H,2H2,1H3/t4-/m1/s1","InChI=1S/C2H4O.2CH2O/c1-2-3;2*1-2/h2H,1H3;2*1H2",68.31444,49.89513,
16359,[C:1]([C@@:2]([O:3][H:12])([C:4]([O:5][C:6](=[O:7])[H:15])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C:4]([C:2](=[O:3])[H:11])([H:13])[H:14])([H:8])([H:9])[H:10].[O:5]=[C:6]([O:7][H:12])[H:15],"InChI=1S/C4H8O3/c1-4(6)2-7-3-5/h3-4,6H,2H2,1H3/t4-/m1/s1","InChI=1S/C3H6O.CH2O2/c1-2-3-4;2-1-3/h3H,2H2,1H3;1H,(H,2,3)",43.79159,3.70114,
16360,[C:1]([C@@:2]([O:3][H:12])([C:4]([O:5][C:6](=[O:7])[H:15])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C-:6]#[O+:7].[C:1]([C:2]([O:3][H:12])([H:11])[H:15])([H:8])([H:9])[H:10].[C:4](=[O:5])([H:13])[H:14],"InChI=1S/C4H8O3/c1-4(6)2-7-3-5/h3-4,6H,2H2,1H3/t4-/m1/s1","InChI=1S/C2H6O.CH2O.CO/c1-2-3;2*1-2/h3H,2H2,1H3;1H2;",81.10963000000001,33.3935,
16361,[C:1]([C@@:2]([O:3][H:12])([C:4]([O:5][C:6](=[O:7])[H:15])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1](=[C:2]([C:4]([O:5][C:6](=[O:7])[H:15])([H:13])[H:14])[H:11])([H:8])[H:10].[O:3]([H:9])[H:12],"InChI=1S/C4H8O3/c1-4(6)2-7-3-5/h3-4,6H,2H2,1H3/t4-/m1/s1","InChI=1S/C4H6O2.H2O/c1-2-3-6-4-5;/h2,4H,1,3H2;1H2",60.17799,17.81383,"1,3_Insertion_ROR"
16362,[C:1]([C@@:2]([O:3][H:12])([C:4]([O:5][C:6](=[O:7])[H:15])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2](=[O:3])[C:4]([O:5][C:6](=[O:7])[H:15])([H:11])[H:14])([H:8])([H:9])[H:10].[H:12][H:13],"InChI=1S/C4H8O3/c1-4(6)2-7-3-5/h3-4,6H,2H2,1H3/t4-/m1/s1","InChI=1S/C4H6O3.H2/c1-4(6)2-7-3-5;/h3H,2H2,1H3;1H",77.09549,18.5345,
16363,[C:1]([C@@:2]([O:3][H:12])([C:4]([O:5][C:6](=[O:7])[H:15])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2](=[O:3])[C:4]([H:11])([H:13])[H:14])([H:8])([H:9])[H:10].[O:5]=[C:6]([O:7][H:12])[H:15],"InChI=1S/C4H8O3/c1-4(6)2-7-3-5/h3-4,6H,2H2,1H3/t4-/m1/s1","InChI=1S/C3H6O.CH2O2/c1-3(2)4;2-1-3/h1-2H3;1H,(H,2,3)",50.49129,-3.9091400000000003,
16364,[C:1]([C@@:2]([O:3][H:12])([C:4]([O:5][C:6](=[O:7])[H:15])([H:13])[H:14])[H:11])([H:8])([H:9])[H:10],[C:1]([C:2](=[O:3])[H:11])([H:8])([H:9])[H:10].[C:4](=[O:5])([H:13])[H:14].[C:6](=[O:7])([H:12])[H:15],"InChI=1S/C4H8O3/c1-4(6)2-7-3-5/h3-4,6H,2H2,1H3/t4-/m1/s1","InChI=1S/C2H4O.2CH2O/c1-2-3;2*1-2/h2H,1H3;2*1H2",68.29274000000001,49.88476,