List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
411429 |
135084260 |
1 |
NO2C14H17 |
AB2C14D17 |
-29.14 |
3.51 |
-9.21 |
0.2 |
0 |
|
|
411430 |
135084261 |
1 |
O2N3C5H5 |
A2B3C5D5 |
28.49 |
4.13 |
-9.84 |
-1.27 |
1 |
|
|
411431 |
135084262 |
1 |
O2N3C5H6 |
A2B3C5D6 |
32.28 |
6.46 |
0.0 |
0.0 |
0 |
|
|
411432 |
135084263 |
1 |
BrON2H11C14 |
ABC2D11E14 |
41.89 |
6.76 |
-8.67 |
-0.6 |
0 |
|
|
411433 |
135084264 |
1 |
BrOC11H11 |
ABC11D11 |
12.07 |
2.6 |
-8.68 |
-0.29 |
0 |
|
|
411434 |
135084265 |
1 |
OC13H14 |
AB13C14 |
3.15 |
3.47 |
-8.91 |
-0.19 |
0 |
|
|
411435 |
135084266 |
1 |
NSO2C12H17 |
ABC2D12E17 |
-69.82 |
4.98 |
-9.71 |
-0.23 |
0 |
|
|
411436 |
135084267 |
1 |
OBr2H8C13 |
AB2C8D13 |
34.55 |
3.5 |
-9.27 |
-1.12 |
0 |
|
|
411437 |
135084268 |
1 |
ClN2F3H6C10 |
AB2C3D6E10 |
-103.19 |
1.54 |
-9.6 |
-0.74 |
0 |
|
|
411438 |
135084269 |
1 |
BrO3C12H13 |
AB3C12D13 |
-98.61 |
1.2 |
-9.55 |
-1.06 |
0 |
|
|
411439 |
135084270 |
1 |
BrNSO2C8H8 |
ABCD2E8F8 |
-34.87 |
3.41 |
-9.91 |
-1.1 |
0 |
|
|
411440 |
135084271 |
1 |
NO2C8H11 |
AB2C8D11 |
-55.76 |
2.77 |
-11.0 |
-1.14 |
0 |
|
|
411441 |
135084272 |
1 |
BrN3H8C12 |
AB3C8D12 |
95.11 |
4.17 |
-8.82 |
-1.12 |
0 |
|
|
411442 |
135084273 |
1 |
BrNPO4C7H15 |
ABCD4E7F15 |
-203.3 |
1.14 |
-9.84 |
-0.71 |
0 |
|
|
411443 |
135084274 |
1 |
LiO3C9H9 |
AB3C9D9 |
-139.47 |
10.67 |
-9.3 |
0.04 |
0 |
|
|
411444 |
135084275 |
1 |
O3N4H6C9 |
A3B4C6D9 |
69.26 |
6.07 |
-10.66 |
-1.5 |
0 |
|
|
411445 |
135084276 |
4 |
COH2 |
ABC2 |
-180.59 |
1.99 |
-10.75 |
1.18 |
0 |
|
|
411446 |
135084277 |
1 |
ClC13H17 |
AB13C17 |
-5.37 |
1.73 |
-9.29 |
0.33 |
0 |
|
|
411447 |
135084278 |
2 |
ClNOC4H4 |
ABCD4E4 |
-73.45 |
6.55 |
-9.15 |
-0.28 |
1 |
|
|
411448 |
135084279 |
1 |
BClPO2C5H12 |
ABCD2E5F12 |
-8.33 |
4.29 |
0.0 |
0.0 |
0 |
|
|
411449 |
135084280 |
1 |
N3C14H15 |
A3B14C15 |
76.08 |
3.03 |
-8.41 |
-0.39 |
0 |
|
|
411450 |
135084281 |
2 |
NO2C5H7 |
AB2C5D7 |
-125.26 |
3.34 |
-9.67 |
-1.11 |
1 |
|
|
411451 |
135084282 |
1 |
N2O4C10H15 |
A2B4C10D15 |
-117.39 |
6.45 |
0.0 |
0.0 |
0 |
|
|
411452 |
135084283 |
1 |
NOC12H13 |
ABC12D13 |
59.5 |
1.9 |
-9.44 |
0.1 |
0 |
|
|
411453 |
135084284 |
1 |
OBr2H8C9 |
AB2C8D9 |
1.06 |
2.55 |
-8.98 |
-1.05 |
0 |
|
|
411454 |
135084285 |
1 |
O2S2C5H8 |
A2B2C5D8 |
-41.29 |
1.07 |
-8.2 |
-0.1 |
0 |
|
|
411455 |
135084286 |
2 |
ON2C5H6 |
AB2C5D6 |
21.61 |
3.71 |
-8.74 |
-1.11 |
0 |
|
|
411456 |
135084287 |
1 |
NO2H11C13 |
AB2C11D13 |
-23.16 |
4.46 |
-9.47 |
-0.69 |
0 |
|
|
411457 |
135084288 |
1 |
O3C13H18 |
A3B13C18 |
-73.52 |
4.52 |
-8.85 |
-0.61 |
0 |
|
|
411458 |
135084289 |
3 |
OC4H6 |
AB4C6 |
-123.73 |
4.44 |
-9.91 |
0.43 |
1 |
|
|
411459 |
135084290 |
1 |
FNO2C7H11 |
ABC2D7E11 |
-78.33 |
2.99 |
0.0 |
0.0 |
0 |
|
|
411460 |
135084291 |
1 |
OSiC8H16 |
ABC8D16 |
-76.66 |
1.59 |
-9.6 |
0.76 |
0 |
|
|
411461 |
135084292 |
1 |
O2N3C6H7 |
A2B3C6D7 |
19.13 |
4.27 |
-9.79 |
-1.22 |
1 |
|
|
411462 |
135084293 |
1 |
O2N3C6H8 |
A2B3C6D8 |
27.22 |
6.72 |
0.0 |
0.0 |
0 |
|
|
411463 |
135084294 |
1 |
OC11H20 |
AB11C20 |
-41.04 |
2.06 |
-9.7 |
1.1 |
0 |
|
|
411464 |
135084295 |
1 |
O2C13H22 |
A2B13C22 |
-94.91 |
1.56 |
-9.57 |
0.72 |
0 |
|
|
411465 |
135084296 |
1 |
OC12H14 |
AB12C14 |
14.54 |
2.08 |
-9.33 |
0.36 |
0 |
|
|
411466 |
135084297 |
1 |
O2N3H9C10 |
A2B3C9D10 |
41.54 |
6.56 |
-9.55 |
-0.92 |
0 |
|
|
411467 |
135084298 |
1 |
BrO4C13H13 |
AB4C13D13 |
-150.25 |
5.91 |
-10.36 |
-1.38 |
0 |
|
|
411468 |
135084299 |
1 |
OC10H18 |
AB10C18 |
-66.61 |
0.8 |
-8.69 |
1.48 |
0 |
|
|
411469 |
135084300 |
1 |
NOSiC8H17 |
ABCD8E17 |
-83.36 |
7.59 |
-8.84 |
0.51 |
0 |
|
|
411470 |
135084301 |
1 |
NO2S2C9H13 |
AB2C2D9E13 |
-44.29 |
4.74 |
-9.37 |
-0.88 |
0 |
|
|
411471 |
135084302 |
1 |
O3C12H14 |
A3B12C14 |
-102.5 |
3.65 |
-9.67 |
-0.74 |
0 |
|
|
411472 |
135084303 |
1 |
OC12H18 |
AB12C18 |
-45.34 |
1.3 |
-9.2 |
0.39 |
0 |
|
|
411473 |
135084304 |
1 |
NO3H11C12 |
AB3C11D12 |
-76.63 |
5.85 |
-9.29 |
-1.04 |
0 |
|
|
411474 |
135084305 |
1 |
O4C7H8 |
A4B7C8 |
-135.59 |
0.09 |
-9.74 |
-0.16 |
0 |
|
|
411475 |
135084306 |
1 |
NOC13H17 |
ABC13D17 |
-30.46 |
3.73 |
-8.76 |
0.11 |
0 |
|
|
411476 |
135084307 |
1 |
OC15H26 |
AB15C26 |
-34.02 |
2.23 |
-9.64 |
1.01 |
0 |
|
|
411477 |
135084308 |
1 |
NOC7H13 |
ABC7D13 |
-12.2 |
1.35 |
-9.7 |
0.65 |
0 |
|
|
411478 |
135084309 |
1 |
ClOH13C14 |
ABC13D14 |
-9.05 |
3.55 |
-9.55 |
-1.02 |
0 |
|
|
411479 |
135084310 |
1 |
NO5H7C10 |
AB5C7D10 |
-57.35 |
5.64 |
-9.47 |
-2.04 |
0 |
|
|
411480 |
135084311 |
2 |
OC6H9 |
AB6C9 |
-82.66 |
2.53 |
-9.72 |
0.65 |
0 |
|
|
411481 |
135084312 |
1 |
NC16H23 |
AB16C23 |
28.04 |
1.86 |
-8.75 |
0.45 |
0 |
|
|
411482 |
135084313 |
3 |
C5H6 |
A5B6 |
126.21 |
0.91 |
-9.6 |
0.62 |
0 |
|
|
411483 |
135084314 |
1 |
NO2H11C13 |
AB2C11D13 |
-24.53 |
2.88 |
-9.49 |
-0.77 |
0 |
|
|
411484 |
135084315 |
1 |
OC15H16 |
AB15C16 |
63.93 |
2.47 |
-9.4 |
-0.3 |
0 |
|
|
411485 |
135084316 |
1 |
NO4H11C12 |
AB4C11D12 |
29.91 |
2.44 |
-8.72 |
-1.5 |
0 |
|
|
411486 |
135084317 |
1 |
C13H16 |
A13B16 |
39.72 |
0.64 |
-9.24 |
0.46 |
0 |
|
|
411487 |
135084318 |
1 |
SeN2O5C9H12 |
AB2C5D9E12 |
-204.14 |
5.34 |
-9.43 |
-1.14 |
0 |
|
|
411488 |
135084319 |
1 |
ClNOC12H16 |
ABCD12E16 |
-54.03 |
3.25 |
-9.46 |
-0.15 |
0 |
|
|
411489 |
135084320 |
2 |
NOC6H7 |
ABC6D7 |
-17.84 |
3.43 |
-8.58 |
-0.1 |
0 |
|
|
411490 |
135084321 |
1 |
OSiC13H18 |
ABC13D18 |
-41.35 |
1.38 |
-9.56 |
0.16 |
0 |
|
|
411491 |
135084322 |
1 |
O2C11H12 |
A2B11C12 |
-32.45 |
4.71 |
-8.92 |
-0.63 |
0 |
|
|
411492 |
135084323 |
1 |
FO2C13H15 |
AB2C13D15 |
-113.05 |
2.05 |
-9.49 |
-0.75 |
0 |
|
|
411493 |
135084324 |
1 |
OC14H18 |
AB14C18 |
-15.31 |
1.81 |
-8.98 |
0.13 |
0 |
|
|
411494 |
135084325 |
1 |
BKO2F3H7C10 |
ABC2D3E7F10 |
-331.39 |
8.06 |
-9.27 |
-0.59 |
-1 |
|
|
411495 |
135084326 |
1 |
BO2F3H7C10 |
AB2C3D7E10 |
-196.05 |
24.9 |
0.0 |
0.0 |
0 |
|
|
411496 |
135084327 |
2 |
OC4H7 |
AB4C7 |
-86.59 |
2.06 |
-8.84 |
1.31 |
0 |
|
|
411497 |
135084328 |
1 |
O3C11H12 |
A3B11C12 |
-83.93 |
3.61 |
-8.91 |
-0.02 |
0 |
|
|
411498 |
135084329 |
1 |
SN2O4C9H16 |
AB2C4D9E16 |
-143.05 |
4.85 |
-10.9 |
-1.03 |
1 |
|
|
411499 |
135084330 |
1 |
SN2O4C9H17 |
AB2C4D9E17 |
-130.61 |
3.76 |
0.0 |
0.0 |
0 |
|
|
411500 |
135084331 |
1 |
N2O2C13H16 |
A2B2C13D16 |
-44.01 |
5.19 |
-9.21 |
-0.36 |
0 |
|
|
411501 |
135084332 |
1 |
BKF3H9C12 |
ABC3D9E12 |
-277.32 |
12.76 |
-8.97 |
-0.22 |
-1 |
|
|
411502 |
135084333 |
1 |
BF3H9C12 |
AB3C9D12 |
-173.42 |
8.07 |
0.0 |
0.0 |
0 |
|
|
411503 |
135084334 |
1 |
OC15H24 |
AB15C24 |
-31.37 |
0.43 |
-9.6 |
1.11 |
0 |