List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
296500 |
117579812 |
1 |
NO2C8H19 |
AB2C8D19 |
-114.06 |
3.95 |
-8.84 |
2.0 |
0 |
|
|
296501 |
117579824 |
1 |
FNO2C11H16 |
ABC2D11E16 |
-124.63 |
1.48 |
-8.7 |
-0.11 |
0 |
|
|
296502 |
117579898 |
1 |
N2O4C13H18 |
A2B4C13D18 |
-153.48 |
4.55 |
-8.38 |
-0.48 |
0 |
|
|
296503 |
117580019 |
1 |
O2N3C11H15 |
A2B3C11D15 |
-43.11 |
4.75 |
-9.22 |
-0.44 |
0 |
|
|
296504 |
117580057 |
1 |
NO3C13H21 |
AB3C13D21 |
-119.36 |
0.71 |
-8.52 |
0.33 |
0 |
|
|
296505 |
117580128 |
1 |
N3O3C12H17 |
A3B3C12D17 |
-108.34 |
4.39 |
-8.76 |
-0.32 |
0 |
|
|
296506 |
117580129 |
1 |
O2N3C12H17 |
A2B3C12D17 |
-44.24 |
5.13 |
-9.01 |
-0.25 |
0 |
|
|
296507 |
117580207 |
1 |
BrNSO2C9H14 |
ABCD2E9F14 |
-63.19 |
0.79 |
-9.48 |
-0.56 |
0 |
|
|
296508 |
117580241 |
1 |
ClNO3C12H18 |
ABC3D12E18 |
-127.28 |
3.59 |
-9.07 |
-0.27 |
0 |
|
|
296509 |
117580574 |
1 |
BrNO3C14H22 |
ABC3D14E22 |
-133.73 |
3.94 |
-8.37 |
-0.08 |
0 |
|
|
296510 |
117580834 |
1 |
NSO2C13H17 |
ABC2D13E17 |
-56.08 |
2.86 |
-8.68 |
-0.55 |
0 |
|
|
296511 |
117580866 |
1 |
NO3C14H23 |
AB3C14D23 |
-125.38 |
3.5 |
-8.58 |
0.26 |
0 |
|
|
296512 |
117581041 |
1 |
NO2C15H25 |
AB2C15D25 |
-104.55 |
3.68 |
-8.93 |
0.51 |
0 |
|
|
296513 |
117581109 |
1 |
BrNO2C13H20 |
ABC2D13E20 |
-81.16 |
3.28 |
-9.15 |
-0.26 |
0 |
|
|
296514 |
117581244 |
1 |
N5C15H17 |
A5B15C17 |
90.73 |
7.34 |
-8.81 |
-0.75 |
0 |
|
|
296515 |
117581351 |
1 |
BrSN5C12H12 |
ABC5D12E12 |
102.49 |
3.83 |
-8.64 |
-1.05 |
0 |
|
|
296516 |
117581356 |
1 |
BrN6C13H13 |
AB6C13D13 |
106.18 |
4.18 |
-9.07 |
-1.19 |
0 |
|
|
296517 |
117581379 |
1 |
BrN6H11C12 |
AB6C11D12 |
110.32 |
5.59 |
-9.13 |
-1.32 |
0 |
|
|
296518 |
117581615 |
1 |
BrSN2O2C9H11 |
ABC2D2E9F11 |
-15.76 |
4.99 |
-9.36 |
-0.62 |
0 |
|
|
296519 |
117581620 |
1 |
SN2O3C10H14 |
AB2C3D10E14 |
-60.08 |
4.0 |
-8.66 |
-0.55 |
0 |
|
|
296520 |
117581636 |
1 |
SN2O2C7H16 |
AB2C2D7E16 |
-67.61 |
3.92 |
-9.96 |
-0.04 |
0 |
|
|
296521 |
117581637 |
1 |
N2O2S2C7H10 |
A2B2C2D7E10 |
-12.62 |
3.47 |
-9.28 |
-0.55 |
0 |
|
|
296522 |
117581659 |
1 |
BrN2O2S2C7H9 |
AB2C2D2E7F9 |
-4.25 |
3.36 |
-9.52 |
-0.78 |
0 |
|
|
296523 |
117581661 |
1 |
BrSN2O3C10H13 |
ABC2D3E10F13 |
-55.96 |
2.98 |
-9.11 |
-0.42 |
0 |
|
|
296524 |
117581749 |
1 |
BrSN2O2C11H15 |
ABC2D2E11F15 |
-26.8 |
3.9 |
-9.37 |
-0.46 |
0 |
|
|
296525 |
117581757 |
1 |
SO2N3C9H13 |
AB2C3D9E13 |
-9.61 |
2.38 |
-9.98 |
-0.51 |
0 |
|
|
296526 |
117581762 |
1 |
SN2O2C13H20 |
AB2C2D13E20 |
-43.94 |
3.93 |
-9.03 |
-0.17 |
0 |
|
|
296527 |
117581765 |
1 |
SN2O3C9H18 |
AB2C3D9E18 |
-98.89 |
2.8 |
-9.63 |
-0.21 |
0 |
|
|
296528 |
117581786 |
1 |
SN2O2C13H18 |
AB2C2D13E18 |
-34.54 |
4.53 |
-8.96 |
-0.04 |
0 |
|
|
296529 |
117581856 |
1 |
BrSN2O2C11H15 |
ABC2D2E11F15 |
-23.99 |
2.74 |
-9.54 |
-0.25 |
0 |
|
|
296530 |
117581908 |
1 |
SN2O4C10H16 |
AB2C4D10E16 |
-152.1 |
3.44 |
-8.69 |
0.2 |
0 |
|
|
296531 |
117581913 |
1 |
NSO4C11H23 |
ABC4D11E23 |
-205.77 |
10.02 |
-9.53 |
0.53 |
0 |
|
|
296532 |
117581919 |
1 |
NSO4C11H23 |
ABC4D11E23 |
-210.34 |
5.94 |
-9.0 |
0.14 |
0 |
|
|
296533 |
117581929 |
1 |
SN3C14H15 |
AB3C14D15 |
70.58 |
6.27 |
-8.74 |
-1.23 |
0 |
|
|
296534 |
117581936 |
1 |
SN3C14H15 |
AB3C14D15 |
61.91 |
6.49 |
-8.93 |
-1.01 |
0 |
|
|
296535 |
117581943 |
1 |
OSN3C13H13 |
ABC3D13E13 |
39.26 |
7.6 |
-8.4 |
-1.15 |
0 |
|
|
296536 |
117581983 |
1 |
SN3C13H13 |
AB3C13D13 |
70.06 |
7.5 |
-8.65 |
-1.09 |
0 |
|
|
296537 |
117582055 |
1 |
OSN3H9C10 |
ABC3D9E10 |
54.46 |
6.17 |
-9.2 |
-1.11 |
0 |
|
|
296538 |
117582060 |
1 |
OSN3C10H13 |
ABC3D10E13 |
16.66 |
5.55 |
-9.01 |
-1.03 |
0 |
|
|
296539 |
117582061 |
1 |
BrSN3H8C11 |
ABC3D8E11 |
95.53 |
6.74 |
-9.02 |
-1.07 |
0 |
|
|
296540 |
117582098 |
1 |
SN4H12C14 |
AB4C12D14 |
105.08 |
9.83 |
-8.8 |
-0.76 |
0 |
|
|
296541 |
117582107 |
1 |
OSN4H8C12 |
ABC4D8E12 |
83.38 |
4.72 |
-9.27 |
-1.23 |
0 |
|
|
296542 |
117582142 |
1 |
FSN3H10C12 |
ABC3D10E12 |
43.52 |
6.72 |
-9.03 |
-1.02 |
0 |
|
|
296543 |
117582317 |
2 |
NOSC5H5 |
ABCD5E5 |
-24.38 |
8.68 |
-9.04 |
-1.12 |
0 |
|
|
296544 |
117582412 |
1 |
BrFSN3H9C10 |
ABCD3E9F10 |
17.5 |
1.89 |
-8.86 |
-1.01 |
0 |
|
|
296545 |
117582455 |
1 |
SN4C13H14 |
AB4C13D14 |
78.52 |
4.37 |
-8.33 |
-0.38 |
0 |
|
|
296546 |
117582750 |
2 |
FN2C6H6 |
AB2C6D6 |
-28.6 |
2.61 |
-8.99 |
-0.37 |
0 |
|
|
296547 |
117582870 |
1 |
N4C15H20 |
A4B15C20 |
46.18 |
2.0 |
-8.59 |
-0.2 |
0 |
|
|
296548 |
117582982 |
1 |
N5C13H17 |
A5B13C17 |
64.88 |
3.71 |
-8.84 |
-0.2 |
0 |
|
|
296549 |
117583165 |
4 |
NC4H4 |
AB4C4 |
85.46 |
4.4 |
-8.79 |
-0.84 |
0 |