List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
209345 |
80656515 |
1 |
ON5C9H17 |
AB5C9D17 |
-3.71 |
4.6 |
-9.14 |
-0.48 |
0 |
|
|
209346 |
80656527 |
1 |
ON5C12H21 |
AB5C12D21 |
-11.99 |
2.53 |
-8.83 |
-0.35 |
0 |
|
|
209347 |
80657077 |
1 |
ON5C13H23 |
AB5C13D23 |
-37.56 |
6.88 |
-8.71 |
-0.13 |
0 |
|
|
209348 |
80657118 |
1 |
ClN5C13H20 |
AB5C13D20 |
50.24 |
3.12 |
-8.62 |
-0.62 |
0 |
|
|
209349 |
80657119 |
1 |
ClN4C12H19 |
AB4C12D19 |
12.34 |
4.06 |
-8.87 |
-0.85 |
0 |
|
|
209350 |
80657120 |
1 |
ClN4C12H19 |
AB4C12D19 |
14.47 |
2.76 |
-8.88 |
-0.62 |
0 |
|
|
209351 |
80657343 |
4 |
NC4H7 |
AB4C7 |
17.18 |
4.42 |
-8.58 |
0.01 |
0 |
|
|
209352 |
80657483 |
1 |
N4C13H22 |
A4B13C22 |
9.12 |
1.92 |
-8.37 |
0.17 |
0 |
|
|
209353 |
80657641 |
1 |
N4C13H22 |
A4B13C22 |
7.9 |
4.02 |
-8.51 |
-0.09 |
0 |
|
|
209354 |
80657642 |
1 |
N5C15H21 |
A5B15C21 |
55.04 |
4.45 |
-8.82 |
0.05 |
0 |
|
|
209355 |
80657643 |
2 |
N2C7H13 |
A2B7C13 |
-1.19 |
4.33 |
-8.41 |
0.09 |
0 |
|
|
209356 |
80657672 |
1 |
ON4C15H28 |
AB4C15D28 |
-36.38 |
4.34 |
-8.52 |
0.21 |
0 |
|
|
209357 |
80657859 |
1 |
ON4C13H24 |
AB4C13D24 |
-29.14 |
3.57 |
-8.47 |
-0.09 |
0 |
|
|
209358 |
80658539 |
1 |
BrNO4C13H18 |
ABC4D13E18 |
-130.85 |
1.89 |
-8.46 |
-0.39 |
0 |
|
|
209359 |
80658540 |
1 |
BrNOC8H16 |
ABCD8E16 |
-75.56 |
3.42 |
-9.31 |
-0.08 |
0 |
|
|
209360 |
80658541 |
1 |
BrNO2C11H14 |
ABC2D11E14 |
-75.37 |
2.25 |
-9.22 |
-0.56 |
0 |
|
|
209361 |
80659423 |
1 |
BrNOC13H24 |
ABCD13E24 |
-87.9 |
5.38 |
-9.4 |
0.04 |
0 |
|
|
209362 |
80659707 |
1 |
BrNO2C11H14 |
ABC2D11E14 |
-61.96 |
4.46 |
-9.16 |
-0.36 |
0 |
|
|
209363 |
80659742 |
1 |
BrNOSC12H16 |
ABCDE12F16 |
-40.5 |
4.54 |
-8.98 |
-0.42 |
0 |
|
|
209364 |
80659764 |
1 |
BrON2C14H17 |
ABC2D14E17 |
-8.6 |
6.89 |
-9.48 |
-0.91 |
0 |
|
|
209365 |
80659765 |
1 |
BrNOC14H26 |
ABCD14E26 |
-81.95 |
4.62 |
-8.95 |
-0.12 |
0 |
|
|
209366 |
80659766 |
1 |
BrNOC13H22 |
ABCD13E22 |
-55.62 |
1.79 |
-9.62 |
-0.45 |
0 |
|
|
209367 |
80660054 |
1 |
BrON2C14H25 |
ABC2D14E25 |
-70.27 |
3.07 |
-8.95 |
-0.18 |
0 |
|
|
209368 |
80660055 |
1 |
BrN2O2C14H25 |
AB2C2D14E25 |
-114.26 |
2.57 |
-9.07 |
-0.21 |
0 |
|
|
209369 |
80660056 |
1 |
BrFNO2C12H15 |
ABCD2E12F15 |
-119.76 |
3.56 |
-9.42 |
-0.46 |
0 |
|
|
209370 |
80661140 |
1 |
OBr2N2C10H12 |
AB2C2D10E12 |
-13.04 |
2.93 |
-10.01 |
-1.03 |
0 |
|
|
209371 |
80661645 |
1 |
BrNSO2C8H16 |
ABCD2E8F16 |
-108.18 |
5.23 |
-10.16 |
-0.18 |
0 |
|
|
209372 |
80662099 |
1 |
BrNO2C13H18 |
ABC2D13E18 |
-84.4 |
3.79 |
-9.43 |
-0.32 |
0 |
|
|
209373 |
80662100 |
1 |
BrNOC14H24 |
ABCD14E24 |
-73.42 |
3.08 |
-9.44 |
-0.34 |
0 |
|
|
209374 |
80662101 |
1 |
BrON2C16H19 |
ABC2D16E19 |
-11.56 |
4.53 |
-9.59 |
-0.98 |
0 |
|
|
209375 |
80662116 |
2 |
NSO2C6H10 |
ABC2D6E10 |
-161.6 |
5.14 |
-9.28 |
-0.7 |
0 |
|
|
209376 |
80662117 |
1 |
SN5C12H17 |
AB5C12D17 |
79.88 |
6.64 |
-8.87 |
-0.29 |
0 |
|
|
209377 |
80662144 |
1 |
FNOBr2C12H12 |
ABCD2E12F12 |
-81.3 |
4.3 |
-9.76 |
-0.93 |
0 |
|
|
209378 |
80662145 |
1 |
BrSO2N3C10H16 |
ABC2D3E10F16 |
-67.94 |
8.71 |
-9.5 |
0.06 |
0 |
|
|
209379 |
80662146 |
1 |
BrFNSO2C12H15 |
ABCDE2F12G15 |
-122.36 |
5.65 |
-9.97 |
-0.92 |
0 |
|
|
209380 |
80662147 |
1 |
BrNSO2C12H22 |
ABCD2E12F22 |
-119.85 |
5.72 |
-10.0 |
-0.06 |
0 |
|
|
209381 |
80662148 |
1 |
BrSN2O2C9H17 |
ABC2D2E9F17 |
-95.67 |
2.21 |
-9.93 |
-0.12 |
0 |
|
|
209382 |
80662830 |
1 |
BrON2C12H15 |
ABC2D12E15 |
-33.44 |
2.59 |
-10.06 |
-0.56 |
0 |
|
|
209383 |
80662934 |
1 |
BrNO2C10H16 |
ABC2D10E16 |
-112.99 |
5.79 |
-9.67 |
-0.26 |
0 |
|
|
209384 |
80663352 |
1 |
ON3C17H23 |
AB3C17D23 |
-9.69 |
3.37 |
-8.38 |
-0.25 |
0 |
|
|
209385 |
80663508 |
1 |
ICl2N2C7H7 |
AB2C2D7E7 |
27.54 |
2.85 |
-9.99 |
-1.58 |
0 |
|
|
209386 |
80663520 |
1 |
ClN3C14H24 |
AB3C14D24 |
-7.17 |
1.64 |
-8.68 |
-0.54 |
0 |
|
|
209387 |
80663968 |
1 |
SN3C12H13 |
AB3C12D13 |
57.48 |
2.29 |
-8.36 |
-0.56 |
0 |
|
|
209388 |
80664092 |
1 |
ON4C16H18 |
AB4C16D18 |
30.0 |
5.36 |
-9.27 |
-0.58 |
0 |
|
|
209389 |
80664093 |
1 |
ClON3C16H20 |
ABC3D16E20 |
-13.3 |
2.85 |
-9.05 |
-0.29 |
0 |
|
|
209390 |
80664738 |
1 |
ClSF3N3H9C12 |
ABC3D3E9F12 |
-103.29 |
4.41 |
-9.13 |
-1.08 |
0 |
|
|
209391 |
80664739 |
1 |
ClSF2N2H9C12 |
ABC2D2E9F12 |
-39.82 |
4.16 |
-8.82 |
-1.12 |
0 |
|
|
209392 |
80664813 |
1 |
ClN2O2C8H11 |
AB2C2D8E11 |
-92.7 |
1.99 |
-9.72 |
-0.99 |
0 |
|
|
209393 |
80664983 |
1 |
BrNOF2C12H14 |
ABCD2E12F14 |
-131.42 |
3.86 |
-9.78 |
-0.62 |
0 |
|
|
209394 |
80664984 |
1 |
BrON3C14H16 |
ABC3D14E16 |
15.42 |
4.44 |
-9.05 |
-0.69 |
0 |