List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
339379 |
127261275 |
1 |
ClNO2C9H10 |
ABC2D9E10 |
-33.5 |
2.49 |
-8.81 |
-0.29 |
0 |
|
|
339380 |
127261276 |
1 |
ClNO2C8H8 |
ABC2D8E8 |
-23.14 |
3.67 |
-8.9 |
-0.4 |
0 |
|
|
339381 |
127261277 |
1 |
N2O2C11H12 |
A2B2C11D12 |
12.6 |
1.39 |
-7.85 |
-0.09 |
0 |
|
|
339382 |
127261278 |
1 |
NO5C12H13 |
AB5C12D13 |
-96.55 |
5.34 |
-8.23 |
-0.28 |
0 |
|
|
339383 |
127261279 |
1 |
ON3H11C12 |
AB3C11D12 |
74.63 |
3.18 |
-9.64 |
-0.76 |
0 |
|
|
339384 |
127261280 |
1 |
N2O5H10C11 |
A2B5C10D11 |
-16.14 |
7.86 |
-8.66 |
-1.52 |
0 |
|
|
339385 |
127261281 |
1 |
NSO2C11H11 |
ABC2D11E11 |
4.12 |
0.92 |
-8.29 |
-0.21 |
0 |
|
|
339386 |
127261282 |
1 |
NO2C20H33 |
AB2C20D33 |
-76.29 |
2.27 |
-8.76 |
-0.02 |
0 |
|
|
339387 |
127261283 |
1 |
OC15H24 |
AB15C24 |
-57.39 |
3.23 |
-8.96 |
0.98 |
0 |
|
|
339388 |
127261284 |
1 |
O2F3H11C15 |
A2B3C11D15 |
-193.61 |
4.53 |
-9.52 |
-0.82 |
0 |
|
|
339389 |
127261285 |
1 |
NOF4H13C16 |
ABC4D13E16 |
-152.6 |
3.19 |
-9.11 |
-0.26 |
0 |
|
|
339390 |
127261286 |
1 |
OC18H18 |
AB18C18 |
77.14 |
4.08 |
-9.14 |
-0.68 |
0 |
|
|
339391 |
127261287 |
1 |
OSN3C10H17 |
ABC3D10E17 |
15.27 |
1.75 |
-8.46 |
-0.31 |
0 |
|
|
339392 |
127261288 |
1 |
OSN3C12H21 |
ABC3D12E21 |
8.14 |
2.11 |
-8.01 |
-0.07 |
0 |
|
|
339393 |
127261289 |
1 |
SO2N3C8H13 |
AB2C3D8E13 |
-14.56 |
2.4 |
-8.62 |
-0.48 |
0 |
|
|
339394 |
127261290 |
1 |
BrOSN3C12H12 |
ABCD3E12F12 |
63.07 |
3.99 |
-8.51 |
-0.82 |
0 |
|
|
339395 |
127261291 |
1 |
ClOSN3C12H12 |
ABCD3E12F12 |
52.09 |
5.25 |
-8.22 |
-0.57 |
0 |
|
|
339396 |
127261292 |
1 |
SO2N3C14H17 |
AB2C3D14E17 |
15.46 |
2.17 |
-8.1 |
-0.46 |
0 |
|
|
339397 |
127261293 |
1 |
NO2H13C15 |
AB2C13D15 |
-16.56 |
5.84 |
-8.42 |
-1.23 |
0 |
|
|
339398 |
127261294 |
1 |
NO3C17H27 |
AB3C17D27 |
-94.07 |
2.6 |
-8.46 |
0.09 |
0 |
|
|
339399 |
127261295 |
1 |
NO3C13H19 |
AB3C13D19 |
-74.3 |
1.56 |
-8.31 |
0.14 |
0 |
|
|
339400 |
127261296 |
1 |
NO2C16H25 |
AB2C16D25 |
-54.68 |
2.63 |
-8.7 |
-0.04 |
0 |
|
|
339401 |
127261297 |
1 |
NO2C17H19 |
AB2C17D19 |
-3.79 |
2.96 |
-8.74 |
-0.09 |
0 |
|
|
339402 |
127261298 |
1 |
NO2C12H17 |
AB2C12D17 |
-37.32 |
2.57 |
-8.66 |
-0.03 |
0 |
|
|
339403 |
127261299 |
1 |
O3H14C16 |
A3B14C16 |
-81.1 |
3.06 |
-9.36 |
-0.53 |
0 |
|
|
339404 |
127261300 |
2 |
O2C10H11 |
A2B10C11 |
-105.2 |
3.31 |
-8.76 |
-0.17 |
0 |
|
|
339405 |
127261301 |
1 |
NO2C16H25 |
AB2C16D25 |
-62.32 |
2.27 |
-8.14 |
0.33 |
0 |
|
|
339406 |
127261302 |
1 |
NO3H21C22 |
AB3C21D22 |
-3.65 |
1.74 |
-8.81 |
-0.04 |
0 |
|
|
339407 |
127261303 |
1 |
NO4C13H17 |
AB4C13D17 |
-69.35 |
4.92 |
-8.4 |
0.17 |
0 |
|
|
339408 |
127261304 |
1 |
NO4C17H19 |
AB4C17D19 |
-59.33 |
5.21 |
-8.43 |
0.13 |
0 |
|
|
339409 |
127261305 |
1 |
OC15H24 |
AB15C24 |
-64.56 |
3.31 |
-9.19 |
0.74 |
0 |
|
|
339410 |
127261306 |
1 |
SO3C11H12 |
AB3C11D12 |
-88.17 |
6.96 |
-10.07 |
-1.17 |
0 |
|
|
339411 |
127261307 |
1 |
INOPH25C27 |
ABCDE25F27 |
35.6 |
3.9 |
-8.14 |
-0.57 |
0 |
|
|
339412 |
127261308 |
1 |
OH16C17 |
AB16C17 |
8.59 |
4.42 |
-8.9 |
-0.56 |
0 |
|
|
339413 |
127261309 |
1 |
OC14H22 |
AB14C22 |
-61.47 |
2.93 |
-9.13 |
0.74 |
0 |
|
|
339414 |
127261310 |
1 |
N3O3C13H19 |
A3B3C13D19 |
-12.17 |
6.03 |
-8.57 |
-1.08 |
0 |
|
|
339415 |
127261311 |
1 |
NOC16H17 |
ABC16D17 |
5.22 |
3.05 |
-8.28 |
-0.11 |
0 |
|
|
339416 |
127261312 |
1 |
OC15H24 |
AB15C24 |
-66.64 |
3.22 |
-8.99 |
0.76 |
0 |
|
|
339417 |
127261313 |
1 |
NOC12H17 |
ABC12D17 |
3.46 |
1.07 |
-8.57 |
0.39 |
0 |
|
|
339418 |
127261314 |
1 |
NOC14H17 |
ABC14D17 |
21.82 |
1.36 |
-8.57 |
0.26 |
0 |
|
|
339419 |
127261315 |
1 |
NO2C13H19 |
AB2C13D19 |
-44.58 |
3.12 |
-8.75 |
0.2 |
0 |
|
|
339420 |
127261316 |
1 |
NOC11H15 |
ABC11D15 |
8.5 |
1.16 |
-8.59 |
0.36 |
0 |
|
|
339421 |
127261317 |
1 |
NO2C19H29 |
AB2C19D29 |
-36.19 |
1.9 |
-8.26 |
0.17 |
0 |
|
|
339422 |
127261318 |
1 |
NO2C10H13 |
AB2C10D13 |
-27.72 |
3.46 |
-8.8 |
0.13 |
0 |
|
|
339423 |
127261319 |
1 |
NO3C20H33 |
AB3C20D33 |
-108.8 |
2.4 |
-8.32 |
0.11 |
0 |
|
|
339424 |
127261320 |
1 |
SO3C11H12 |
AB3C11D12 |
-87.72 |
4.8 |
-10.13 |
-1.36 |
0 |
|
|
339425 |
127261321 |
1 |
SO2H14C16 |
AB2C14D16 |
1.59 |
2.97 |
-8.52 |
-0.84 |
0 |
|
|
339426 |
127261322 |
1 |
ON2C20H24 |
AB2C20D24 |
-23.78 |
3.72 |
-8.32 |
0.16 |
0 |
|
|
339427 |
127261323 |
1 |
O3C20H30 |
A3B20C30 |
-135.03 |
7.22 |
-9.11 |
-0.29 |
0 |
|
|
339428 |
127261324 |
1 |
NO3C15H21 |
AB3C15D21 |
-79.38 |
2.41 |
-8.78 |
0.21 |
0 |