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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
372092 |
131293120 |
1 |
ClOF2C11H11 |
ABC2D11E11 |
-144.29 |
5.45 |
-9.73 |
-0.7 |
0 |
|
|
372093 |
131293122 |
2 |
N2C5H7 |
A2B5C7 |
53.46 |
4.83 |
-8.12 |
0.65 |
0 |
|
|
372094 |
131293151 |
1 |
BrN2O2C11H11 |
AB2C2D11E11 |
-30.46 |
2.59 |
-8.42 |
-1.17 |
0 |
|
|
372095 |
131293160 |
3 |
NC3H3 |
AB3C3 |
78.31 |
5.19 |
-9.17 |
-0.97 |
0 |
|
|
372096 |
131293167 |
1 |
NSC12H13 |
ABC12D13 |
40.47 |
1.66 |
-8.48 |
0.04 |
0 |
|
|
372097 |
131293179 |
1 |
ClN3H10C11 |
AB3C10D11 |
42.61 |
0.43 |
-9.11 |
-0.77 |
0 |
|
|
372098 |
131293196 |
1 |
BrClOC8H8 |
ABCD8E8 |
-41.57 |
1.97 |
-9.17 |
-0.46 |
0 |
|
|
372099 |
131293206 |
1 |
FOBr2H7C9 |
ABC2D7E9 |
-61.67 |
2.24 |
-9.98 |
-1.04 |
0 |
|
|
372100 |
131293209 |
1 |
FOBr2H7C9 |
ABC2D7E9 |
-63.35 |
2.51 |
-9.77 |
-1.01 |
0 |
|
|
372101 |
131293226 |
1 |
H5N5C7 |
A5B5C7 |
101.13 |
4.53 |
-9.18 |
-1.06 |
0 |
|
|
372102 |
131293243 |
1 |
N2C11H12 |
A2B11C12 |
46.89 |
4.18 |
-9.23 |
-0.11 |
0 |
|
|
372103 |
131293264 |
1 |
OF2N2C11H12 |
AB2C2D11E12 |
-104.01 |
4.61 |
-8.39 |
-0.35 |
0 |
|
|
372104 |
131293268 |
1 |
FN2H11C12 |
AB2C11D12 |
14.56 |
2.53 |
-9.51 |
-0.39 |
0 |
|
|
372105 |
131293269 |
1 |
SN4H6C9 |
AB4C6D9 |
115.68 |
4.51 |
-9.17 |
-1.48 |
0 |
|
|
372106 |
131293271 |
1 |
FN2H11C12 |
AB2C11D12 |
13.91 |
3.13 |
-9.56 |
-0.34 |
0 |
|
|
372107 |
131293275 |
1 |
SN4H6C9 |
AB4C6D9 |
99.26 |
2.76 |
-8.98 |
-1.67 |
0 |
|
|
372108 |
131293278 |
2 |
ON2C5H5 |
AB2C5D5 |
67.73 |
6.4 |
-9.82 |
-0.96 |
0 |
|
|
372109 |
131293294 |
1 |
ON5C9H11 |
AB5C9D11 |
24.72 |
4.23 |
-8.85 |
-0.41 |
0 |
|
|
372110 |
131293296 |
1 |
ON5C9H11 |
AB5C9D11 |
24.58 |
6.78 |
-9.19 |
-0.45 |
0 |
|
|
372111 |
131293304 |
1 |
N5C11H15 |
A5B11C15 |
65.81 |
2.53 |
-9.0 |
-0.32 |
0 |
|
|
372112 |
131293307 |
1 |
FNOC12H12 |
ABCD12E12 |
-34.92 |
3.29 |
-9.22 |
-0.43 |
0 |
|
|
372113 |
131293329 |
1 |
O2N4C7H8 |
A2B4C7D8 |
65.69 |
1.02 |
-10.25 |
-1.17 |
0 |
|
|
372114 |
131293333 |
1 |
O2N4C7H8 |
A2B4C7D8 |
-3.85 |
5.73 |
-9.26 |
-0.45 |
0 |
|
|
372115 |
131293339 |
1 |
INOH3F5C7 |
ABCD3E5F7 |
-241.21 |
2.56 |
-10.14 |
-1.8 |
0 |
|
|
372116 |
131293346 |
1 |
INOH3F5C7 |
ABCD3E5F7 |
-239.62 |
1.67 |
-10.19 |
-1.8 |
0 |
|
|
372117 |
131293379 |
1 |
NO3C12H17 |
AB3C12D17 |
-125.36 |
3.27 |
-9.38 |
-0.17 |
0 |
|
|
372118 |
131293387 |
1 |
BrNO3C11H12 |
ABC3D11E12 |
-85.57 |
5.67 |
-9.76 |
-1.29 |
0 |
|
|
372119 |
131293399 |
1 |
SN2O2C11H16 |
AB2C2D11E16 |
-68.59 |
3.91 |
-8.16 |
-0.12 |
0 |
|
|
372120 |
131293402 |
1 |
ClF2O2C11H11 |
AB2C2D11E11 |
-178.81 |
2.04 |
-9.52 |
-0.71 |
0 |
|
|
372121 |
131293441 |
1 |
BrNOH8C9 |
ABCD8E9 |
-7.09 |
5.37 |
-9.5 |
-0.72 |
0 |
|
|
372122 |
131293468 |
1 |
BrFNO3C9H9 |
ABCD3E9F9 |
-149.17 |
2.96 |
-9.81 |
-0.89 |
0 |
|
|
372123 |
131293471 |
1 |
OBr2F3H5C8 |
AB2C3D5E8 |
-168.23 |
0.79 |
-9.9 |
-1.4 |
0 |
|
|
372124 |
131293473 |
1 |
BrO2F3H6C8 |
AB2C3D6E8 |
-211.69 |
2.17 |
-9.68 |
-0.98 |
0 |
|
|
372125 |
131293486 |
1 |
OBr2F3H5C8 |
AB2C3D5E8 |
-164.81 |
2.04 |
-9.87 |
-1.23 |
0 |
|
|
372126 |
131293490 |
1 |
OBr2F3H5C8 |
AB2C3D5E8 |
-167.19 |
2.26 |
-9.77 |
-1.29 |
0 |
|
|
372127 |
131293505 |
1 |
ON2F4C8H8 |
AB2C4D8E8 |
-208.14 |
2.05 |
-10.1 |
-1.08 |
0 |
|
|
372128 |
131293513 |
1 |
ClFNOC11H13 |
ABCDE11F13 |
-75.96 |
2.58 |
-9.45 |
-0.66 |
0 |
|
|
372129 |
131293521 |
1 |
BrNOF3C9H9 |
ABCD3E9F9 |
-185.53 |
4.11 |
-9.6 |
-1.19 |
0 |
|
|
372130 |
131293534 |
1 |
BrClINO2H4C7 |
ABCDE2F4G7 |
29.56 |
4.96 |
-9.99 |
-1.8 |
0 |
|
|
372131 |
131293535 |
1 |
ClN5C10H14 |
AB5C10D14 |
71.3 |
4.28 |
-9.79 |
-1.55 |
0 |
|
|
372132 |
131293545 |
1 |
SO4C11H12 |
AB4C11D12 |
-149.94 |
5.26 |
-8.29 |
-0.07 |
0 |
|
|
372133 |
131293550 |
1 |
SO4C11H12 |
AB4C11D12 |
-148.94 |
6.16 |
-8.61 |
-0.2 |
0 |
|
|
372134 |
131293568 |
1 |
N3O3C7H11 |
A3B3C7D11 |
-110.29 |
3.3 |
-8.63 |
-0.41 |
0 |
|
|
372135 |
131293569 |
1 |
ON3H7C10 |
AB3C7D10 |
68.26 |
2.79 |
-9.32 |
-1.58 |
0 |
|
|
372136 |
131293637 |
1 |
BrClOSF2H6C10 |
ABCDE2F6G10 |
-116.54 |
2.65 |
-8.85 |
-1.31 |
0 |
|
|
372137 |
131293646 |
1 |
BrClOSF2H6C10 |
ABCDE2F6G10 |
-117.99 |
1.63 |
-8.95 |
-1.27 |
0 |
|
|
372138 |
131293648 |
1 |
BrClOSF2H6C10 |
ABCDE2F6G10 |
-114.02 |
0.62 |
-8.78 |
-1.28 |
0 |
|
|
372139 |
131293692 |
1 |
ON3C11H19 |
AB3C11D19 |
-34.27 |
4.32 |
-9.66 |
-0.88 |
0 |
|
|
372140 |
131293716 |
1 |
OSN3C9H15 |
ABC3D9E15 |
-11.04 |
5.72 |
-9.32 |
-0.32 |
0 |
|
|
372141 |
131293725 |
1 |
ION2C7H9 |
ABC2D7E9 |
-1.59 |
1.75 |
-8.2 |
-0.76 |
0 |
|
|
372142 |
131293738 |
1 |
ION2C8H9 |
ABC2D8E9 |
-11.59 |
4.37 |
-8.8 |
-0.96 |
0 |
|
|
372143 |
131293752 |
1 |
NOSH9C10 |
ABCD9E10 |
25.75 |
5.0 |
-9.8 |
-1.62 |
0 |
|
|
372144 |
131293782 |
1 |
BrNOF2H6C9 |
ABCD2E6F9 |
-98.75 |
3.92 |
-10.11 |
-1.28 |
0 |
|
|
372145 |
131293790 |
1 |
BrNOC10H10 |
ABCD10E10 |
-18.73 |
3.84 |
-9.65 |
-0.9 |
0 |
|
|
372146 |
131293795 |
1 |
BrClO2H6C7 |
ABC2D6E7 |
-61.05 |
1.86 |
-9.0 |
-0.66 |
0 |
|
|
372147 |
131293797 |
1 |
BrClO2H6C7 |
ABC2D6E7 |
-58.94 |
5.12 |
-9.0 |
-0.56 |
0 |
|
|
372148 |
131293806 |
1 |
FSO2C10H11 |
ABC2D10E11 |
-108.08 |
5.57 |
-8.96 |
-0.64 |
0 |
|
|
372149 |
131293845 |
1 |
BrNO2C11H16 |
ABC2D11E16 |
-70.62 |
5.74 |
-8.93 |
-0.34 |
0 |
|
|
372150 |
131293848 |
1 |
NF3C11H12 |
AB3C11D12 |
-141.32 |
1.47 |
-9.64 |
-0.6 |
0 |
|
|
372151 |
131293869 |
1 |
ClNF3H9C10 |
ABC3D9E10 |
-120.76 |
0.91 |
-9.84 |
-1.01 |
0 |
|
|
372152 |
131293882 |
1 |
FN2C13H13 |
AB2C13D13 |
10.11 |
3.63 |
-9.64 |
-1.07 |
0 |
|
|
372153 |
131293883 |
1 |
ClNC12H12 |
ABC12D12 |
21.38 |
3.4 |
-8.97 |
-0.7 |
0 |
|
|
372154 |
131293886 |
1 |
BrNH12C13 |
ABC12D13 |
57.8 |
3.45 |
-9.02 |
-0.72 |
0 |
|
|
372155 |
131293896 |
1 |
S2O3C8H10 |
A2B3C8D10 |
-101.09 |
3.55 |
-9.85 |
-1.11 |
0 |
|
|
372156 |
131293902 |
1 |
ON3C10H17 |
AB3C10D17 |
6.89 |
3.84 |
-8.87 |
0.37 |
0 |
|
|
372157 |
131293913 |
1 |
INF3H9C10 |
ABC3D9E10 |
-126.4 |
2.33 |
-9.32 |
-0.9 |
0 |
|
|
372158 |
131293915 |
1 |
N5C9H11 |
A5B9C11 |
82.59 |
3.39 |
-8.4 |
-1.13 |
0 |
|
|
372159 |
131293922 |
1 |
IOBr2F2H5C8 |
ABC2D2E5F8 |
-103.74 |
1.0 |
-9.74 |
-1.42 |
0 |
|
|
372160 |
131293926 |
1 |
IOBr2F2H5C8 |
ABC2D2E5F8 |
-104.71 |
3.41 |
-9.63 |
-1.43 |
0 |
|
|
372161 |
131293945 |
1 |
BrF2O2C9H9 |
AB2C2D9E9 |
-170.4 |
3.66 |
-8.97 |
-0.32 |
0 |
|
|
372162 |
131293951 |
1 |
O2N3C11H13 |
A2B3C11D13 |
-23.94 |
2.8 |
-8.71 |
0.27 |
0 |
|
|
372163 |
131293963 |
1 |
N2O3H10C11 |
A2B3C10D11 |
-61.53 |
6.2 |
-9.95 |
-1.74 |
0 |
|
|
372164 |
131294001 |
1 |
ClO2N4C9H9 |
AB2C4D9E9 |
-1.22 |
1.83 |
-9.88 |
-1.64 |
0 |
|
|
372165 |
131294063 |
1 |
Br2O3H8C9 |
A2B3C8D9 |
-88.28 |
3.19 |
-8.97 |
-0.86 |
0 |
|
|
372166 |
131294070 |
1 |
ON4H8C10 |
AB4C8D10 |
62.9 |
4.57 |
-9.62 |
-1.1 |
0 |
|
|
372167 |
131294072 |
1 |
ON4H8C10 |
AB4C8D10 |
62.37 |
9.46 |
-9.08 |
-1.42 |
0 |
|
|
372168 |
131294073 |
1 |
ON4H8C10 |
AB4C8D10 |
72.67 |
7.33 |
-9.54 |
-1.05 |
0 |
|
|
372169 |
131294077 |
1 |
ON4H8C10 |
AB4C8D10 |
74.08 |
7.52 |
-9.49 |
-0.85 |
0 |
|
|
372170 |
131294081 |
1 |
N2O2H8C11 |
A2B2C8D11 |
32.27 |
6.46 |
-9.5 |
-1.18 |
0 |
|
|
372171 |
131294092 |
1 |
N2O2H8C11 |
A2B2C8D11 |
-16.89 |
3.94 |
-9.32 |
-1.02 |
0 |
|
|
372172 |
131294095 |
1 |
BrNO3H10C11 |
ABC3D10E11 |
-93.6 |
4.34 |
-8.93 |
-0.9 |
0 |
|
|
372173 |
131294097 |
1 |
BrNO3H10C11 |
ABC3D10E11 |
-81.68 |
4.24 |
-8.41 |
-0.19 |
0 |
|
|
372174 |
131294105 |
1 |
NO5H19C25 |
AB5C19D25 |
-107.79 |
3.95 |
-8.76 |
-1.4 |
0 |
|
|
372175 |
131294152 |
1 |
NOF3C10H10 |
ABC3D10E10 |
-168.0 |
2.94 |
-9.65 |
-0.9 |
0 |
|
|
372176 |
131294157 |
1 |
ClN4H9C10 |
AB4C9D10 |
67.69 |
2.67 |
-9.4 |
-0.92 |
0 |
|
|
372177 |
131294176 |
1 |
BrN2C12H17 |
AB2C12D17 |
3.23 |
2.15 |
-9.26 |
-0.24 |
0 |
|
|
372178 |
131294182 |
2 |
ClFOH4C5 |
ABCD4E5 |
-184.64 |
1.59 |
-9.7 |
-0.96 |
0 |
|
|
372179 |
131294192 |
1 |
ClON2H9C11 |
ABC2D9E11 |
8.26 |
6.58 |
-8.94 |
-0.69 |
0 |
|
|
372180 |
131294194 |
1 |
ClON2H9C11 |
ABC2D9E11 |
8.82 |
7.71 |
-8.88 |
-0.64 |
0 |
|
|
372181 |
131294197 |
1 |
SN4C10H12 |
AB4C10D12 |
81.84 |
11.82 |
-8.23 |
-1.33 |
0 |
|
|
372182 |
131294205 |
1 |
ON2C11H12 |
AB2C11D12 |
-5.52 |
7.21 |
-8.82 |
-0.39 |
0 |
|
|
372183 |
131294208 |
1 |
ON2C11H12 |
AB2C11D12 |
24.62 |
4.05 |
-8.66 |
-0.69 |
0 |
|
|
372184 |
131294209 |
1 |
ON2C11H12 |
AB2C11D12 |
-6.56 |
7.19 |
-8.9 |
-0.45 |
0 |
|
|
372185 |
131294210 |
1 |
ON2C11H12 |
AB2C11D12 |
2.04 |
2.54 |
-8.92 |
0.01 |
0 |
|
|
372186 |
131294211 |
1 |
ON2C11H12 |
AB2C11D12 |
36.54 |
3.87 |
-9.73 |
-0.18 |
0 |
|
|
372187 |
131294213 |
1 |
OS2C10H18 |
AB2C10D18 |
-68.83 |
4.15 |
-8.35 |
0.55 |
0 |
|
|
372188 |
131294217 |
1 |
FNO3H8C11 |
ABC3D8E11 |
-109.83 |
4.21 |
-9.74 |
-1.47 |
0 |
|
|
372189 |
131294218 |
1 |
FNO3H8C11 |
ABC3D8E11 |
-108.58 |
5.62 |
-9.68 |
-1.31 |
0 |
|
|
372190 |
131294219 |
1 |
FNO2C12H12 |
ABC2D12E12 |
-72.0 |
2.16 |
-9.48 |
-0.6 |
0 |
|
|
372191 |
131294225 |
1 |
ClO2N3H6C8 |
AB2C3D6E8 |
62.77 |
2.39 |
-9.45 |
-1.45 |
0 |