List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
339329 |
127261163 |
1 |
SO4C12H16 |
AB4C12D16 |
-142.86 |
7.47 |
-9.58 |
-0.49 |
0 |
|
|
339330 |
127261164 |
1 |
SO5H20C21 |
AB5C20D21 |
-131.91 |
6.22 |
-9.14 |
-0.58 |
0 |
|
|
339331 |
127261165 |
1 |
SO4C11H14 |
AB4C11D14 |
-136.25 |
6.15 |
-9.48 |
-0.57 |
0 |
|
|
339332 |
127261166 |
1 |
NO3C11H13 |
AB3C11D13 |
-90.0 |
1.58 |
-8.87 |
-0.23 |
0 |
|
|
339333 |
127261167 |
1 |
SO4C15H24 |
AB4C15D24 |
-185.41 |
6.53 |
-9.48 |
-0.42 |
0 |
|
|
339334 |
127261168 |
1 |
SeO3C9H10 |
AB3C9D10 |
-109.33 |
2.56 |
-9.14 |
-1.19 |
0 |
|
|
339335 |
127261169 |
1 |
O4C13H18 |
A4B13C18 |
-159.5 |
4.02 |
-9.24 |
-0.46 |
0 |
|
|
339336 |
127261170 |
1 |
SiO5C15H24 |
AB5C15D24 |
-307.81 |
3.57 |
-9.14 |
0.3 |
0 |
|
|
339337 |
127261171 |
1 |
NSiO2C12H19 |
ABC2D12E19 |
-113.53 |
3.06 |
-8.58 |
0.0 |
0 |
|
|
339338 |
127261172 |
1 |
NSiO4C12H17 |
ABC4D12E17 |
-115.52 |
5.64 |
-10.23 |
-1.45 |
0 |
|
|
339339 |
127261235 |
1 |
NO3C9H11 |
AB3C9D11 |
-56.49 |
1.33 |
-8.77 |
-0.02 |
0 |
|
|
339340 |
127261236 |
1 |
NO2C23H39 |
AB2C23D39 |
-90.42 |
0.43 |
-8.44 |
0.18 |
0 |
|
|
339341 |
127261237 |
1 |
NO3C11H15 |
AB3C11D15 |
-64.39 |
1.63 |
-8.4 |
0.13 |
0 |
|
|
339342 |
127261238 |
1 |
NO2C13H13 |
AB2C13D13 |
-49.57 |
3.7 |
-8.42 |
-0.41 |
0 |
|
|
339343 |
127261239 |
1 |
N2O4C9H10 |
A2B4C9D10 |
-29.26 |
6.04 |
-9.02 |
-1.44 |
0 |
|
|
339344 |
127261240 |
1 |
NO2C9H11 |
AB2C9D11 |
-22.86 |
2.92 |
-8.58 |
0.02 |
0 |
|
|
339345 |
127261241 |
2 |
NO2C4H4 |
AB2C4D4 |
-19.75 |
6.7 |
-9.76 |
-1.35 |
0 |
|
|
339346 |
127261242 |
1 |
NO2C17H27 |
AB2C17D27 |
-62.53 |
2.98 |
-8.6 |
0.01 |
0 |
|
|
339347 |
127261243 |
1 |
NO2C16H25 |
AB2C16D25 |
-57.5 |
2.97 |
-8.59 |
0.03 |
0 |
|
|
339348 |
127261244 |
1 |
NO2C8H9 |
AB2C8D9 |
-9.97 |
1.03 |
-8.98 |
-0.1 |
0 |
|
|
339349 |
127261245 |
1 |
ON2C11H12 |
AB2C11D12 |
39.76 |
2.25 |
-8.15 |
0.1 |
0 |
|
|
339350 |
127261246 |
1 |
ON3C7H9 |
AB3C7D9 |
40.21 |
3.02 |
-9.82 |
-0.34 |
0 |
|
|
339351 |
127261247 |
1 |
OSN2C6H8 |
ABC2D6E8 |
37.22 |
1.37 |
-8.92 |
-0.46 |
0 |
|
|
339352 |
127261248 |
1 |
ON3C13H13 |
AB3C13D13 |
63.68 |
2.51 |
-9.52 |
-0.64 |
0 |
|
|
339353 |
127261249 |
1 |
ON3H11C12 |
AB3C11D12 |
73.12 |
3.54 |
-9.35 |
-0.76 |
0 |
|
|
339354 |
127261250 |
1 |
OSN2H10C11 |
ABC2D10E11 |
71.56 |
1.07 |
-8.81 |
-0.96 |
0 |
|
|
339355 |
127261251 |
1 |
NOSC6H7 |
ABCD6E7 |
33.23 |
2.15 |
-8.84 |
-0.03 |
0 |
|
|
339356 |
127261252 |
1 |
NOC10H13 |
ABC10D13 |
9.0 |
0.82 |
-8.47 |
0.43 |
0 |
|
|
339357 |
127261253 |
1 |
NBr2O3H7C8 |
AB2C3D7E8 |
-48.95 |
2.19 |
-8.78 |
-0.65 |
0 |
|
|
339358 |
127261254 |
1 |
NCl2O2H7C8 |
AB2C2D7E8 |
-29.58 |
4.63 |
-9.05 |
-0.69 |
0 |
|
|
339359 |
127261255 |
2 |
NOC5H5 |
ABC5D5 |
18.52 |
2.74 |
-8.31 |
-0.5 |
0 |
|
|
339360 |
127261256 |
1 |
N3C8H11 |
A3B8C11 |
47.43 |
1.24 |
-8.21 |
0.37 |
0 |
|
|
339361 |
127261257 |
1 |
BrNO2C9H10 |
ABC2D9E10 |
-18.8 |
4.52 |
-8.84 |
-0.39 |
0 |
|
|
339362 |
127261258 |
1 |
ClNO2C8H8 |
ABC2D8E8 |
-20.95 |
4.35 |
-9.0 |
-0.36 |
0 |
|
|
339363 |
127261259 |
1 |
FNOC8H8 |
ABCD8E8 |
-21.81 |
3.48 |
-9.15 |
-0.04 |
0 |
|
|
339364 |
127261260 |
1 |
N2O2C7H8 |
A2B2C7D8 |
-0.96 |
2.26 |
-9.05 |
-0.42 |
0 |
|
|
339365 |
127261261 |
1 |
NO2C13H13 |
AB2C13D13 |
8.18 |
3.51 |
-8.47 |
-0.44 |
0 |
|
|
339366 |
127261262 |
1 |
N2O3C6H8 |
A2B3C6D8 |
-1.63 |
6.95 |
-9.47 |
-0.44 |
0 |
|
|
339367 |
127261263 |
1 |
N2O3C8H8 |
A2B3C8D8 |
22.97 |
6.41 |
-9.54 |
-1.33 |
0 |
|
|
339368 |
127261264 |
1 |
N3O4C10H13 |
A3B4C10D13 |
-34.91 |
5.64 |
-8.49 |
-1.08 |
0 |
|
|
339369 |
127261265 |
1 |
OC17H26 |
AB17C26 |
-42.81 |
3.26 |
-8.6 |
0.6 |
0 |
|
|
339370 |
127261266 |
1 |
ON3C9H13 |
AB3C9D13 |
12.05 |
4.23 |
-7.71 |
0.21 |
0 |
|
|
339371 |
127261267 |
1 |
N3C8H11 |
A3B8C11 |
50.37 |
1.36 |
-7.81 |
0.3 |
0 |
|
|
339372 |
127261268 |
1 |
ClNOC9H10 |
ABCD9E10 |
9.0 |
4.12 |
-8.75 |
-0.01 |
0 |
|
|
339373 |
127261269 |
1 |
ClNOC8H8 |
ABCD8E8 |
17.27 |
3.86 |
-8.89 |
-0.1 |
0 |
|
|
339374 |
127261270 |
1 |
NO3C10H13 |
AB3C10D13 |
-59.26 |
2.24 |
-8.34 |
0.11 |
0 |
|
|
339375 |
127261271 |
1 |
N2O3C8H8 |
A2B3C8D8 |
20.08 |
8.34 |
-9.74 |
-1.18 |
0 |
|
|
339376 |
127261272 |
1 |
NSO3C12H13 |
ABC3D12E13 |
-30.81 |
3.69 |
-8.04 |
-0.21 |
0 |
|
|
339377 |
127261273 |
4 |
NC2H3 |
AB2C3 |
61.14 |
3.51 |
-8.54 |
-0.33 |
0 |
|
|
339378 |
127261274 |
1 |
OCl2N2C8H8 |
AB2C2D8E8 |
6.67 |
4.21 |
-8.44 |
-0.16 |
0 |
|
|
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 |