List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
373192 |
131311315 |
1 |
BrSO4H7C10 |
ABC4D7E10 |
-124.57 |
6.98 |
-9.55 |
-1.25 |
0 |
|
|
373193 |
131311320 |
1 |
BrSO4H7C10 |
ABC4D7E10 |
-125.86 |
5.0 |
-9.11 |
-1.37 |
0 |
|
|
373194 |
131311342 |
1 |
BrSO2C12H13 |
ABC2D12E13 |
-50.32 |
1.41 |
-8.27 |
-0.49 |
0 |
|
|
373195 |
131311343 |
1 |
BrSO2C12H13 |
ABC2D12E13 |
-47.64 |
3.35 |
-8.01 |
-0.65 |
0 |
|
|
373196 |
131311356 |
2 |
FOSH4C5 |
ABCD4E5 |
-144.16 |
3.33 |
-8.64 |
-1.0 |
0 |
|
|
373197 |
131311383 |
1 |
ON2C11H12 |
AB2C11D12 |
1.75 |
4.66 |
-8.64 |
-0.07 |
0 |
|
|
373198 |
131311392 |
2 |
N2C5H6 |
A2B5C6 |
59.59 |
2.76 |
-8.82 |
-0.84 |
0 |
|
|
373199 |
131311418 |
1 |
BrFSO2H6C10 |
ABCD2E6F10 |
-89.87 |
3.96 |
-9.22 |
-1.42 |
0 |
|
|
373200 |
131311441 |
1 |
SO2C12H12 |
AB2C12D12 |
-49.61 |
5.14 |
-9.04 |
-1.15 |
0 |
|
|
373201 |
131311442 |
1 |
SO2C12H12 |
AB2C12D12 |
-47.36 |
3.86 |
-8.9 |
-0.99 |
0 |
|
|
373202 |
131311452 |
1 |
NSO3H9C11 |
ABC3D9E11 |
-5.77 |
8.82 |
-9.56 |
-1.46 |
0 |
|
|
373203 |
131311463 |
1 |
BrClNO2C9H11 |
ABCD2E9F11 |
-77.84 |
0.58 |
-9.73 |
-0.69 |
0 |
|
|
373204 |
131311490 |
1 |
BrClF2O2H8C9 |
ABC2D2E8F9 |
-175.17 |
4.69 |
-9.47 |
-0.74 |
0 |
|
|
373205 |
131311516 |
1 |
BrF2O2H7C8 |
AB2C2D7E8 |
-172.61 |
3.15 |
-9.69 |
-0.83 |
0 |
|
|
373206 |
131311581 |
1 |
FO3H11C12 |
AB3C11D12 |
-158.56 |
4.0 |
-10.12 |
-1.01 |
0 |
|
|
373207 |
131311590 |
1 |
ON2H10C11 |
AB2C10D11 |
3.01 |
2.16 |
-9.12 |
-0.73 |
0 |
|
|
373208 |
131311608 |
1 |
BrClN2H4C7 |
ABC2D4E7 |
55.76 |
2.04 |
-10.12 |
-1.52 |
0 |
|
|
373209 |
131311631 |
1 |
ClF2N2O3H5C7 |
AB2C2D3E5F7 |
-136.34 |
6.49 |
-9.46 |
-1.69 |
0 |
|
|
373210 |
131311633 |
1 |
BrClOF2H8C9 |
ABCD2E8F9 |
-146.92 |
2.53 |
-9.53 |
-0.98 |
0 |
|
|
373211 |
131311647 |
1 |
BrClOF2H8C9 |
ABCD2E8F9 |
-147.37 |
1.27 |
-9.58 |
-0.91 |
0 |
|
|
373212 |
131311661 |
1 |
BrClOF2H8C9 |
ABCD2E8F9 |
-147.52 |
1.63 |
-9.61 |
-0.85 |
0 |
|
|
373213 |
131311690 |
1 |
NO3H9C10 |
AB3C9D10 |
-58.64 |
6.69 |
-9.33 |
-1.33 |
0 |
|
|
373214 |
131311703 |
1 |
BrSO2C11H11 |
ABC2D11E11 |
-29.01 |
2.28 |
-8.09 |
-0.58 |
0 |
|
|
373215 |
131311705 |
1 |
BrSO2C11H11 |
ABC2D11E11 |
-30.14 |
2.11 |
-8.25 |
-0.76 |
0 |
|
|
373216 |
131311709 |
1 |
ClN2O2F3H6C7 |
AB2C2D3E6F7 |
-228.17 |
3.12 |
-9.03 |
-0.85 |
0 |
|
|
373217 |
131311731 |
1 |
ClNO2C10H12 |
ABC2D10E12 |
-75.7 |
3.22 |
-8.66 |
-0.26 |
0 |
|
|
373218 |
131311753 |
1 |
BrNOF3C9H9 |
ABCD3E9F9 |
-191.18 |
1.6 |
-9.92 |
-1.17 |
0 |
|
|
373219 |
131311759 |
1 |
BrNOF3C9H9 |
ABCD3E9F9 |
-195.07 |
3.61 |
-9.66 |
-1.07 |
0 |
|
|
373220 |
131311783 |
1 |
FN2O3H5C8 |
AB2C3D5E8 |
-39.12 |
3.56 |
-11.22 |
-2.09 |
0 |
|
|
373221 |
131311818 |
1 |
ClON2H9C10 |
ABC2D9E10 |
4.51 |
3.02 |
-9.92 |
-1.18 |
0 |
|
|
373222 |
131311839 |
1 |
NOSC10H13 |
ABCD10E13 |
-10.54 |
4.86 |
-9.26 |
-1.11 |
0 |
|
|
373223 |
131311844 |
1 |
IO2C11H15 |
AB2C11D15 |
-55.22 |
3.57 |
-8.79 |
-0.72 |
0 |
|
|
373224 |
131311872 |
1 |
FIO2C9H10 |
ABC2D9E10 |
-89.06 |
4.93 |
-8.62 |
-0.9 |
0 |
|
|
373225 |
131311876 |
1 |
FIO2C10H10 |
ABC2D10E10 |
-92.06 |
2.88 |
-9.21 |
-1.11 |
0 |
|
|
373226 |
131311892 |
1 |
IO3C10H11 |
AB3C10D11 |
-99.46 |
8.4 |
-9.56 |
-1.16 |
0 |
|
|
373227 |
131311893 |
1 |
IO3C10H11 |
AB3C10D11 |
-92.48 |
7.9 |
-9.47 |
-1.19 |
0 |
|
|
373228 |
131311914 |
1 |
IO2C10H11 |
AB2C10D11 |
-42.63 |
5.28 |
-9.04 |
-0.98 |
0 |
|
|
373229 |
131311962 |
1 |
INO2C10H10 |
ABC2D10E10 |
4.2 |
0.91 |
-9.1 |
-1.01 |
0 |
|
|
373230 |
131311980 |
1 |
ClNO3H6C8 |
ABC3D6E8 |
-20.48 |
7.99 |
-10.22 |
-1.44 |
0 |
|
|
373231 |
131311988 |
1 |
SN2C9H16 |
AB2C9D16 |
9.55 |
5.37 |
-8.48 |
0.83 |
0 |
|
|
373232 |
131311990 |
1 |
SN2C9H16 |
AB2C9D16 |
5.78 |
2.24 |
-8.56 |
0.8 |
0 |
|
|
373233 |
131311999 |
1 |
BrClOSC8H8 |
ABCDE8F8 |
-17.01 |
3.5 |
-8.6 |
-0.59 |
0 |
|
|
373234 |
131312018 |
2 |
NOC5H5 |
ABC5D5 |
-45.1 |
8.42 |
-9.87 |
-1.06 |
0 |
|
|
373235 |
131312022 |
1 |
NO2H9C10 |
AB2C9D10 |
-28.65 |
0.77 |
-9.8 |
-1.5 |
0 |
|
|
373236 |
131312038 |
2 |
NC7H12 |
AB7C12 |
-13.35 |
3.12 |
-9.3 |
0.05 |
0 |
|
|
373237 |
131312059 |
1 |
SN2O3C9H10 |
AB2C3D9E10 |
-72.26 |
4.19 |
-9.37 |
-0.42 |
0 |
|
|
373238 |
131312064 |
1 |
ON2C9H16 |
AB2C9D16 |
-31.81 |
4.51 |
-8.97 |
1.05 |
0 |
|
|
373239 |
131312089 |
1 |
BrClO2C10H10 |
ABC2D10E10 |
-76.06 |
4.88 |
-9.76 |
-0.91 |
0 |
|
|
373240 |
131312104 |
1 |
BrSN2O2H7C9 |
ABC2D2E7F9 |
-15.3 |
1.48 |
-9.55 |
-1.56 |
0 |
|
|
373241 |
131312120 |
1 |
NOSC13H13 |
ABCD13E13 |
18.85 |
4.81 |
-8.7 |
-1.45 |
0 |