List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
252800 |
103114242 |
1 |
ClO2N3C14H14 |
AB2C3D14E14 |
-1.9 |
5.66 |
-9.99 |
-0.75 |
0 |
|
|
252801 |
103114260 |
1 |
N3O3C13H19 |
A3B3C13D19 |
-80.92 |
4.5 |
-10.41 |
-0.46 |
0 |
|
|
252802 |
103114263 |
1 |
O2N4C13H22 |
A2B4C13D22 |
-62.91 |
4.59 |
-9.02 |
0.28 |
0 |
|
|
252803 |
103114264 |
1 |
O2N3C15H23 |
A2B3C15D23 |
-50.08 |
5.41 |
-10.25 |
-0.28 |
0 |
|
|
252804 |
103114272 |
1 |
O2N3C15H21 |
A2B3C15D21 |
-24.7 |
4.94 |
-10.22 |
-0.28 |
0 |
|
|
252805 |
103114274 |
1 |
O3N4C14H16 |
A3B4C14D16 |
-24.49 |
4.58 |
-9.65 |
-0.56 |
0 |
|
|
252806 |
103114279 |
1 |
N3O3C12H19 |
A3B3C12D19 |
-71.18 |
5.78 |
-9.99 |
-0.24 |
0 |
|
|
252807 |
103114281 |
1 |
ON4C14H24 |
AB4C14D24 |
-28.24 |
5.65 |
-9.01 |
0.38 |
0 |
|
|
252808 |
103114282 |
1 |
ON4C14H26 |
AB4C14D26 |
-44.48 |
3.88 |
-9.12 |
0.32 |
0 |
|
|
252809 |
103114284 |
1 |
ON4C15H26 |
AB4C15D26 |
-37.45 |
6.64 |
-8.98 |
0.41 |
0 |
|
|
252810 |
103114288 |
2 |
ON2C7H8 |
AB2C7D8 |
9.23 |
6.95 |
-10.09 |
-0.7 |
0 |
|
|
252811 |
103114294 |
1 |
F3O3N4C11H13 |
A3B3C4D11E13 |
-220.24 |
2.87 |
-10.48 |
-0.75 |
0 |
|
|
252812 |
103114301 |
1 |
ON4C13H22 |
AB4C13D22 |
-24.41 |
8.59 |
-8.84 |
0.71 |
0 |
|
|
252813 |
103114305 |
1 |
O2N4C15H20 |
A2B4C15D20 |
30.32 |
7.52 |
-9.21 |
-1.42 |
0 |
|
|
252814 |
103114308 |
1 |
O2N4C15H18 |
A2B4C15D18 |
41.2 |
5.34 |
-9.19 |
-1.6 |
0 |
|
|
252815 |
103114337 |
2 |
ON2C7H8 |
AB2C7D8 |
5.45 |
5.3 |
-10.15 |
-0.68 |
0 |
|
|
252816 |
103114338 |
1 |
O2N3C12H19 |
A2B3C12D19 |
-41.05 |
5.19 |
-10.26 |
-0.28 |
0 |
|
|
252817 |
103114347 |
1 |
FO2N3C15H16 |
AB2C3D15E16 |
-48.34 |
6.29 |
-9.91 |
-0.66 |
0 |
|
|
252818 |
103114348 |
1 |
O2N3C10H15 |
A2B3C10D15 |
-33.05 |
5.01 |
-10.26 |
-0.28 |
0 |
|
|
252819 |
103114353 |
1 |
N3O3C12H17 |
A3B3C12D17 |
-76.66 |
5.6 |
-10.27 |
-0.28 |
0 |
|
|
252820 |
103114354 |
1 |
SN3O5C11H15 |
AB3C5D11E15 |
-147.34 |
3.51 |
-10.55 |
-0.8 |
0 |
|
|
252821 |
103114355 |
1 |
O3N5C13H17 |
A3B5C13D17 |
-3.61 |
5.31 |
-10.33 |
-0.96 |
0 |
|
|
252822 |
103114361 |
1 |
SO2N4C12H14 |
AB2C4D12E14 |
10.64 |
5.16 |
-9.76 |
-0.85 |
0 |
|
|
252823 |
103114366 |
1 |
N4O5C12H12 |
A4B5C12D12 |
-17.33 |
1.53 |
-10.53 |
-1.83 |
0 |
|
|
252824 |
103114367 |
1 |
O2N3C12H17 |
A2B3C12D17 |
-19.7 |
5.26 |
-10.32 |
-0.34 |
0 |
|
|
252825 |
103114371 |
1 |
O2N3C14H21 |
A2B3C14D21 |
-43.45 |
5.13 |
-10.23 |
-0.26 |
0 |
|
|
252826 |
103114379 |
1 |
ClFO2N3H13C14 |
ABC2D3E13F14 |
-47.63 |
4.57 |
-10.03 |
-1.02 |
0 |
|
|
252827 |
103114387 |
1 |
O2N3C16H19 |
A2B3C16D19 |
-6.94 |
5.63 |
-9.72 |
-0.34 |
0 |
|
|
252828 |
103114395 |
1 |
O2N4C13H20 |
A2B4C13D20 |
-23.92 |
4.91 |
-9.4 |
-0.32 |
0 |
|
|
252829 |
103114396 |
1 |
O3N4C14H22 |
A3B4C14D22 |
-89.96 |
2.77 |
-10.37 |
-0.46 |
0 |
|
|
252830 |
103114399 |
1 |
O2N3C16H19 |
A2B3C16D19 |
-9.59 |
4.6 |
-9.44 |
-0.34 |
0 |
|
|
252831 |
103114414 |
1 |
O3N4C14H22 |
A3B4C14D22 |
-84.36 |
2.22 |
-10.35 |
-0.52 |
0 |
|
|
252832 |
103114442 |
1 |
O3N5C12H15 |
A3B5C12D15 |
3.99 |
4.51 |
-10.41 |
-1.08 |
0 |
|
|
252833 |
103114451 |
1 |
O3N4C12H16 |
A3B4C12D16 |
-57.36 |
5.54 |
-9.98 |
-0.37 |
0 |
|
|
252834 |
103114466 |
1 |
ClFO2N3H13C14 |
ABC2D3E13F14 |
-46.66 |
5.57 |
-10.15 |
-1.05 |
0 |
|
|
252835 |
103114474 |
2 |
ON2C7H8 |
AB2C7D8 |
11.19 |
3.82 |
-10.04 |
-0.32 |
0 |
|
|
252836 |
103114483 |
1 |
ClSO2N3C12H12 |
ABC2D3E12F12 |
10.59 |
3.76 |
-9.83 |
-1.08 |
0 |
|
|
252837 |
103114486 |
1 |
O3N4C14H22 |
A3B4C14D22 |
-84.26 |
4.05 |
-10.28 |
-0.37 |
0 |
|
|
252838 |
103114487 |
1 |
BrN3O3C12H12 |
AB3C3D12E12 |
-15.96 |
4.18 |
-9.94 |
-1.0 |
0 |
|
|
252839 |
103114512 |
1 |
N2O3C14H20 |
A2B3C14D20 |
-49.09 |
3.55 |
-9.43 |
-1.26 |
0 |
|
|
252840 |
103114513 |
1 |
N2O3C16H24 |
A2B3C16D24 |
-59.86 |
3.81 |
-9.39 |
-1.25 |
0 |
|
|
252841 |
103114520 |
1 |
SN2O4C14H14 |
AB2C4D14E14 |
-41.28 |
5.45 |
-9.84 |
-1.4 |
0 |
|
|
252842 |
103114521 |
1 |
N2O3C14H22 |
A2B3C14D22 |
-57.84 |
5.01 |
-9.34 |
-1.18 |
0 |
|
|
252843 |
103114549 |
1 |
O2N3C14H21 |
A2B3C14D21 |
0.02 |
5.81 |
-9.06 |
-1.23 |
0 |
|
|
252844 |
103114559 |
1 |
N2O2C17H28 |
A2B2C17D28 |
-32.54 |
6.48 |
-9.13 |
-1.16 |
0 |
|
|
252845 |
103114567 |
1 |
O3N4C13H14 |
A3B4C13D14 |
-49.36 |
1.76 |
-9.52 |
-0.64 |
0 |
|
|
252846 |
103114569 |
1 |
SO2N3C15H19 |
AB2C3D15E19 |
20.59 |
5.49 |
-9.3 |
-1.21 |
0 |
|
|
252847 |
103114571 |
1 |
N3O3C15H19 |
A3B3C15D19 |
-59.22 |
3.91 |
-9.55 |
-0.36 |
0 |
|
|
252848 |
103114575 |
1 |
O2N3C13H19 |
A2B3C13D19 |
5.03 |
5.94 |
-9.13 |
-1.17 |
0 |
|
|
252849 |
103114577 |
1 |
O2N3C13H15 |
A2B3C13D15 |
-15.8 |
4.94 |
-9.5 |
-0.31 |
0 |