List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
45342 |
10511643 |
1 |
O2C11H18 |
A2B11C18 |
-122.0 |
2.91 |
-9.64 |
2.1 |
0 |
|
|
45343 |
10511687 |
1 |
ClNO2H6C8 |
ABC2D6E8 |
-32.48 |
3.74 |
-9.67 |
-1.08 |
0 |
|
|
45344 |
10511691 |
1 |
FO3C9H9 |
AB3C9D9 |
-161.39 |
2.8 |
-10.05 |
-0.42 |
0 |
|
|
45345 |
10511694 |
1 |
O2N4C7H12 |
A2B4C7D12 |
-43.86 |
1.21 |
-9.16 |
-0.73 |
0 |
|
|
45346 |
10511696 |
1 |
O3C10H16 |
A3B10C16 |
-138.8 |
2.46 |
-9.82 |
0.52 |
0 |
|
|
45347 |
10511699 |
1 |
O3C10H16 |
A3B10C16 |
-123.78 |
2.05 |
-10.0 |
-0.17 |
0 |
|
|
45348 |
10511727 |
1 |
ON3H7C10 |
AB3C7D10 |
51.56 |
2.02 |
-9.49 |
-0.68 |
0 |
|
|
45349 |
10511733 |
1 |
NSO2C8H11 |
ABC2D8E11 |
-28.92 |
3.08 |
-9.11 |
-0.7 |
0 |
|
|
45350 |
10511760 |
1 |
SN2O2C7H10 |
AB2C2D7E10 |
-23.52 |
2.78 |
-9.02 |
-0.96 |
0 |
|
|
45351 |
10511812 |
1 |
O5C8H12 |
A5B8C12 |
-221.32 |
5.42 |
-10.54 |
0.13 |
0 |
|
|
45352 |
10511821 |
2 |
OC6H6 |
AB6C6 |
-56.96 |
3.13 |
-9.26 |
-0.45 |
0 |
|
|
45353 |
10511860 |
1 |
FOC11H21 |
ABC11D21 |
-131.82 |
1.81 |
-10.63 |
2.25 |
0 |
|
|
45354 |
10511862 |
1 |
ClO2N3C6H8 |
AB2C3D6E8 |
-39.47 |
4.06 |
-8.92 |
-1.13 |
0 |
|
|
45355 |
10511872 |
1 |
OF2C10H16 |
AB2C10D16 |
-172.92 |
5.18 |
-10.23 |
0.02 |
0 |
|
|
45356 |
10511877 |
2 |
OC6H7 |
AB6C7 |
-63.14 |
5.47 |
-9.57 |
-0.34 |
0 |
|
|
45357 |
10511886 |
2 |
OC6H7 |
AB6C7 |
-34.14 |
3.14 |
-9.45 |
-0.4 |
0 |
|
|
45358 |
10511902 |
1 |
ClN2H7C10 |
AB2C7D10 |
72.39 |
5.44 |
-9.98 |
-1.11 |
0 |
|
|
45359 |
10511903 |
1 |
ClOSN2C6H7 |
ABCD2E6F7 |
-5.91 |
1.36 |
-9.81 |
-1.1 |
0 |
|
|
45360 |
10511957 |
1 |
ON2C11H16 |
AB2C11D16 |
-16.17 |
0.57 |
-8.97 |
0.01 |
0 |
|
|
45361 |
10511964 |
1 |
OC13H20 |
AB13C20 |
-21.39 |
3.41 |
-9.6 |
0.54 |
0 |
|
|
45362 |
10511989 |
1 |
NC13H23 |
AB13C23 |
-15.23 |
1.42 |
-8.48 |
1.26 |
0 |
|
|
45363 |
10512013 |
1 |
N2H10C13 |
A2B10C13 |
79.5 |
1.42 |
-8.71 |
-0.65 |
0 |
|
|
45364 |
10512034 |
1 |
OC13H22 |
AB13C22 |
-75.2 |
2.72 |
-9.37 |
1.66 |
0 |
|
|
45365 |
10512043 |
1 |
N3O3C8H9 |
A3B3C8D9 |
2.58 |
8.38 |
-10.5 |
-0.99 |
0 |
|
|
45366 |
10512073 |
2 |
O2C5H6 |
A2B5C6 |
-156.15 |
1.46 |
-8.89 |
0.1 |
0 |
|
|
45367 |
10512137 |
1 |
NOC12H23 |
ABC12D23 |
-72.31 |
1.82 |
-8.32 |
2.81 |
0 |
|
|
45368 |
10512151 |
2 |
O2C5H7 |
A2B5C7 |
-195.87 |
4.12 |
-10.38 |
0.62 |
0 |
|
|
45369 |
10512156 |
1 |
O2H10C13 |
A2B10C13 |
6.64 |
3.88 |
-9.19 |
-0.45 |
0 |
|
|
45370 |
10512163 |
1 |
O3C11H18 |
A3B11C18 |
-128.05 |
2.17 |
-8.71 |
-0.32 |
0 |
|
|
45371 |
10512179 |
2 |
OC6H11 |
AB6C11 |
-30.03 |
0.55 |
-8.93 |
0.47 |
0 |
|
|
45372 |
10512188 |
1 |
BrF2C6H9 |
AB2C6D9 |
-106.75 |
1.78 |
-10.36 |
-0.71 |
0 |
|
|
45373 |
10512246 |
2 |
OC6H12 |
AB6C12 |
-130.77 |
2.6 |
-9.93 |
1.37 |
0 |
|
|
45374 |
10512255 |
1 |
ClN4C8H13 |
AB4C8D13 |
14.49 |
4.22 |
-9.1 |
-0.55 |
0 |
|
|
45375 |
10512269 |
1 |
NF3C10H10 |
AB3C10D10 |
-147.98 |
4.98 |
-8.62 |
-0.35 |
0 |
|
|
45376 |
10512295 |
2 |
O2C5H9 |
A2B5C9 |
-214.59 |
3.16 |
-10.59 |
0.79 |
0 |
|
|
45377 |
10512306 |
1 |
ON2C12H14 |
AB2C12D14 |
0.08 |
5.79 |
-8.58 |
0.02 |
0 |
|
|
45378 |
10512364 |
1 |
NC14H21 |
AB14C21 |
4.23 |
2.13 |
-8.12 |
0.58 |
0 |
|
|
45379 |
10512367 |
1 |
ClNO3C8H10 |
ABC3D8E10 |
-94.44 |
5.12 |
-10.65 |
-0.68 |
0 |
|
|
45380 |
10512368 |
1 |
ClN3H6C10 |
AB3C6D10 |
89.29 |
3.38 |
-9.3 |
-1.18 |
0 |
|
|
45381 |
10512384 |
2 |
NO2C4H8 |
AB2C4D8 |
-192.99 |
2.69 |
-9.58 |
0.91 |
0 |
|
|
45382 |
10512401 |
1 |
O2C13H16 |
A2B13C16 |
-67.06 |
3.56 |
-9.38 |
-0.68 |
0 |
|
|
45384 |
10512454 |
1 |
N2O3C10H10 |
A2B3C10D10 |
-58.76 |
3.77 |
-9.23 |
-0.3 |
0 |
|
|
45385 |
10512529 |
1 |
N5C10H17 |
A5B10C17 |
54.36 |
6.94 |
-9.35 |
-0.1 |
0 |
|
|
45386 |
10512534 |
1 |
F3H3O4C7 |
A3B3C4D7 |
-274.02 |
3.81 |
-10.25 |
-1.62 |
0 |
|
|
45387 |
10512552 |
1 |
O3C12H16 |
A3B12C16 |
-121.22 |
4.11 |
-8.99 |
-0.02 |
0 |
|
|
45388 |
10512556 |
1 |
O3C12H16 |
A3B12C16 |
-114.79 |
0.5 |
-8.89 |
0.11 |
0 |
|
|
45389 |
10512565 |
1 |
OSN2C10H12 |
ABC2D10E12 |
14.82 |
2.68 |
-8.52 |
-0.84 |
0 |
|
|
45390 |
10512598 |
1 |
NOC13H17 |
ABC13D17 |
-5.34 |
1.13 |
-7.9 |
0.31 |
0 |
|
|
45391 |
10512637 |
1 |
SN2O2C9H10 |
AB2C2D9E10 |
-69.52 |
5.47 |
-8.84 |
-0.92 |
0 |
|
|
45392 |
10512668 |
1 |
NO5C9H9 |
AB5C9D9 |
-87.47 |
4.4 |
-9.59 |
-1.51 |
0 |