List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
260500 |
103193980 |
1 |
NO4C12H15 |
AB4C12D15 |
-90.71 |
3.37 |
-10.54 |
-1.62 |
0 |
|
|
260501 |
103193982 |
1 |
NO4C16H19 |
AB4C16D19 |
-85.56 |
8.01 |
-10.49 |
-1.62 |
0 |
|
|
260502 |
103193996 |
1 |
NO2C17H23 |
AB2C17D23 |
-86.51 |
3.87 |
-8.78 |
-0.02 |
0 |
|
|
260503 |
103194001 |
1 |
NO2C13H17 |
AB2C13D17 |
-79.98 |
3.89 |
-8.81 |
-0.05 |
0 |
|
|
260504 |
103194009 |
1 |
NO2C12H17 |
AB2C12D17 |
-90.01 |
5.15 |
-8.79 |
-0.03 |
0 |
|
|
260505 |
103194022 |
1 |
N2O2C11H16 |
A2B2C11D16 |
-3.95 |
7.43 |
-9.84 |
-1.16 |
0 |
|
|
260506 |
103194077 |
3 |
NOC5H7 |
ABC5D7 |
-116.62 |
3.63 |
-8.68 |
0.18 |
0 |
|
|
260507 |
103194111 |
1 |
BrO2N3C14H18 |
AB2C3D14E18 |
-74.53 |
6.38 |
-8.22 |
-0.33 |
0 |
|
|
260508 |
103194151 |
1 |
O2N5C14H21 |
A2B5C14D21 |
-59.42 |
7.12 |
-8.67 |
-0.11 |
0 |
|
|
260509 |
103194169 |
1 |
O2N5C12H17 |
A2B5C12D17 |
-48.88 |
7.57 |
-8.62 |
-0.14 |
0 |
|
|
260510 |
103194184 |
1 |
N3O3C15H19 |
A3B3C15D19 |
-99.68 |
6.63 |
-8.56 |
-0.29 |
0 |
|
|
260511 |
103194193 |
1 |
BrO2N3C14H16 |
AB2C3D14E16 |
-62.92 |
6.47 |
-9.02 |
-0.57 |
0 |
|
|
260512 |
103194205 |
1 |
F2O2N3C14H15 |
A2B2C3D14E15 |
-155.41 |
2.09 |
-9.24 |
-0.9 |
0 |
|
|
260513 |
103194229 |
1 |
FSN3O3C13H18 |
ABC3D3E13F18 |
-164.98 |
6.14 |
-9.58 |
-0.78 |
0 |
|
|
260514 |
103194230 |
1 |
SN3O3C14H21 |
AB3C3D14E21 |
-119.45 |
3.01 |
-8.81 |
-0.42 |
0 |
|
|
260515 |
103194231 |
1 |
ClSN3O3C13H18 |
ABC3D3E13F18 |
-124.96 |
4.53 |
-9.55 |
-0.95 |
0 |
|
|
260516 |
103194245 |
1 |
SN3O3C14H21 |
AB3C3D14E21 |
-116.23 |
3.67 |
-8.68 |
-0.18 |
0 |
|
|
260517 |
103194285 |
1 |
ClSN3O3C13H16 |
ABC3D3E13F16 |
-107.82 |
4.67 |
-9.32 |
-0.79 |
0 |
|
|
260518 |
103194296 |
1 |
SO3N4C12H16 |
AB3C4D12E16 |
-90.77 |
6.55 |
-9.67 |
-0.79 |
0 |
|
|
260519 |
103194301 |
1 |
FSN3O3C13H16 |
ABC3D3E13F16 |
-142.25 |
5.59 |
-9.32 |
-0.94 |
0 |
|
|
260520 |
103194326 |
1 |
SO3N4C13H20 |
AB3C4D13E20 |
-106.09 |
3.92 |
-9.08 |
-0.43 |
0 |
|
|
260521 |
103194327 |
1 |
ON4C14H18 |
AB4C14D18 |
1.89 |
6.07 |
-8.76 |
-0.64 |
0 |
|
|
260522 |
103194365 |
1 |
ClON4C12H17 |
ABC4D12E17 |
-26.85 |
2.69 |
-8.74 |
-0.45 |
0 |
|
|
260523 |
103194366 |
1 |
ON5C11H19 |
AB5C11D19 |
-7.34 |
7.04 |
-8.41 |
0.52 |
0 |
|
|
260524 |
103194395 |
1 |
ON4C14H18 |
AB4C14D18 |
3.31 |
4.94 |
-8.66 |
-0.81 |
0 |
|
|
260525 |
103194399 |
3 |
NOC5H7 |
ABC5D7 |
-90.82 |
3.59 |
-7.42 |
0.27 |
0 |
|
|
260526 |
103194429 |
1 |
O2N3C16H25 |
A2B3C16D25 |
-88.23 |
4.5 |
-7.99 |
1.01 |
0 |
|
|
260527 |
103194475 |
1 |
ON4C16H18 |
AB4C16D18 |
9.74 |
3.02 |
-8.27 |
-0.66 |
0 |
|
|
260528 |
103194518 |
1 |
ON4C13H18 |
AB4C13D18 |
-17.55 |
6.07 |
-8.6 |
-0.13 |
0 |
|
|
260529 |
103194521 |
1 |
BrFON3C13H15 |
ABCD3E13F15 |
-59.92 |
2.74 |
-8.81 |
-0.67 |
0 |
|
|
260530 |
103194524 |
1 |
ON3C14H19 |
AB3C14D19 |
-23.89 |
5.75 |
-8.57 |
0.1 |
0 |
|
|
260531 |
103194606 |
1 |
ON4C13H18 |
AB4C13D18 |
-8.13 |
5.79 |
-9.27 |
-0.5 |
0 |
|
|
260532 |
103194628 |
1 |
ON3C14H19 |
AB3C14D19 |
-15.39 |
5.57 |
-8.81 |
0.06 |
0 |
|
|
260533 |
103194634 |
1 |
ClON3C14H18 |
ABC3D14E18 |
-26.14 |
4.55 |
-9.29 |
-0.48 |
0 |
|
|
260534 |
103194640 |
1 |
ON3C15H23 |
AB3C15D23 |
-41.0 |
3.05 |
-8.29 |
0.5 |
0 |
|
|
260535 |
103194647 |
1 |
ON3C16H25 |
AB3C16D25 |
-34.77 |
3.94 |
-8.77 |
0.5 |
0 |
|
|
260536 |
103194651 |
1 |
FON3C14H20 |
ABC3D14E20 |
-78.42 |
3.1 |
-8.65 |
-0.09 |
0 |
|
|
260537 |
103194680 |
1 |
FON3C14H20 |
ABC3D14E20 |
-82.79 |
2.28 |
-8.73 |
-0.01 |
0 |
|
|
260538 |
103194699 |
1 |
ON5C13H23 |
AB5C13D23 |
-14.61 |
3.67 |
-8.55 |
0.64 |
0 |
|
|
260539 |
103194712 |
1 |
ClON3C15H22 |
ABC3D15E22 |
-38.8 |
5.17 |
-9.01 |
-0.3 |
0 |
|
|
260540 |
103194715 |
1 |
ON4C15H24 |
AB4C15D24 |
-38.1 |
5.97 |
-8.74 |
0.24 |
0 |
|
|
260541 |
103194723 |
1 |
O2N3C15H23 |
A2B3C15D23 |
-68.03 |
4.37 |
-8.37 |
0.15 |
0 |
|
|
260542 |
103194727 |
1 |
O2N3C15H23 |
A2B3C15D23 |
-79.87 |
5.0 |
-7.99 |
0.62 |
0 |
|
|
260543 |
103194729 |
1 |
ON5C15H21 |
AB5C15D21 |
-9.6 |
3.98 |
-8.4 |
-0.24 |
0 |
|
|
260544 |
103194742 |
1 |
ON5C15H27 |
AB5C15D27 |
-24.83 |
3.52 |
-8.91 |
0.45 |
0 |
|
|
260545 |
103194771 |
1 |
FON3C16H22 |
ABC3D16E22 |
-67.77 |
4.66 |
-9.1 |
-0.32 |
0 |
|
|
260546 |
103194782 |
1 |
BrON3C16H22 |
ABC3D16E22 |
-22.98 |
4.75 |
-8.26 |
-0.27 |
0 |
|
|
260547 |
103194815 |
1 |
ON5C13H21 |
AB5C13D21 |
3.04 |
4.58 |
-9.01 |
0.61 |
0 |
|
|
260548 |
103194820 |
1 |
ON3C15H21 |
AB3C15D21 |
-23.52 |
4.18 |
-8.62 |
0.24 |
0 |
|
|
260549 |
103194827 |
1 |
FON3C15H20 |
ABC3D15E20 |
-61.95 |
3.75 |
-9.45 |
-0.41 |
0 |