List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
259300 |
103163692 |
1 |
SN2O2C12H22 |
AB2C2D12E22 |
-96.13 |
5.27 |
-8.63 |
-0.2 |
0 |
|
|
259301 |
103163765 |
1 |
NO3C13H23 |
AB3C13D23 |
-148.97 |
2.01 |
-9.72 |
0.29 |
0 |
|
|
259302 |
103163779 |
1 |
NO4C15H25 |
AB4C15D25 |
-187.17 |
3.16 |
-9.22 |
1.04 |
0 |
|
|
259303 |
103163781 |
1 |
NO3C13H21 |
AB3C13D21 |
-136.34 |
2.82 |
-9.49 |
0.1 |
0 |
|
|
259304 |
103163782 |
1 |
NO2C13H21 |
AB2C13D21 |
-103.05 |
3.03 |
-9.74 |
0.42 |
0 |
|
|
259305 |
103163813 |
1 |
BrNO2C16H22 |
ABC2D16E22 |
-78.99 |
3.64 |
-9.67 |
-0.4 |
0 |
|
|
259306 |
103163814 |
1 |
BrNO2C16H22 |
ABC2D16E22 |
-79.39 |
2.96 |
-9.76 |
-0.32 |
0 |
|
|
259307 |
103163815 |
1 |
BrNO3C15H20 |
ABC3D15E20 |
-107.56 |
6.92 |
-8.69 |
-0.25 |
0 |
|
|
259308 |
103163821 |
1 |
BrNO2C16H22 |
ABC2D16E22 |
-84.78 |
5.56 |
-9.09 |
-0.19 |
0 |
|
|
259309 |
103163828 |
1 |
BrClNO2C14H17 |
ABCD2E14F17 |
-74.29 |
6.27 |
-9.07 |
-0.58 |
0 |
|
|
259310 |
103163840 |
1 |
ClN2O2C13H17 |
AB2C2D13E17 |
-65.42 |
3.37 |
-9.27 |
-0.52 |
0 |
|
|
259311 |
103163858 |
1 |
N2O3C14H24 |
A2B3C14D24 |
-108.34 |
4.71 |
-9.46 |
0.64 |
0 |
|
|
259312 |
103163862 |
2 |
NOC7H9 |
ABC7D9 |
-33.75 |
4.7 |
-8.76 |
-0.21 |
0 |
|
|
259313 |
103163868 |
1 |
NO2C10H15 |
AB2C10D15 |
-61.66 |
2.1 |
-9.84 |
0.04 |
0 |
|
|
259314 |
103163870 |
1 |
NOC14H15 |
ABC14D15 |
13.16 |
2.42 |
-9.85 |
-0.29 |
0 |
|
|
259315 |
103163873 |
1 |
NO2C17H21 |
AB2C17D21 |
-42.48 |
3.4 |
-9.62 |
-0.26 |
0 |
|
|
259316 |
103163886 |
1 |
NO2C15H17 |
AB2C15D17 |
-26.76 |
3.93 |
-9.03 |
-0.08 |
0 |
|
|
259317 |
103163900 |
1 |
NOC9H13 |
ABC9D13 |
-19.56 |
3.22 |
-10.48 |
0.08 |
0 |
|
|
259318 |
103163904 |
1 |
NOC10H15 |
ABC10D15 |
-25.4 |
2.05 |
-10.49 |
0.11 |
0 |
|
|
259319 |
103163909 |
1 |
NOF2H13C14 |
ABC2D13E14 |
-81.98 |
1.39 |
-10.41 |
-0.92 |
0 |
|
|
259320 |
103163913 |
1 |
NOC12H19 |
ABC12D19 |
-36.04 |
2.74 |
-10.44 |
0.1 |
0 |
|
|
259321 |
103163932 |
1 |
NOC11H17 |
ABC11D17 |
-29.74 |
4.31 |
-10.44 |
0.03 |
0 |
|
|
259322 |
103163980 |
1 |
FN3C15H18 |
AB3C15D18 |
9.64 |
3.76 |
-8.84 |
-0.07 |
0 |
|
|
259323 |
103164055 |
1 |
N3C11H19 |
A3B11C19 |
16.38 |
3.19 |
-8.37 |
0.95 |
0 |
|
|
259324 |
103164068 |
1 |
SO2C13H18 |
AB2C13D18 |
-64.54 |
3.67 |
-9.3 |
-0.32 |
0 |
|
|
259325 |
103164071 |
1 |
FO2C15H19 |
AB2C15D19 |
-117.74 |
4.25 |
-9.59 |
-0.24 |
0 |
|
|
259326 |
103164089 |
1 |
ClO2C15H19 |
AB2C15D19 |
-73.24 |
5.04 |
-9.66 |
-0.34 |
0 |
|
|
259327 |
103164099 |
1 |
NO3C17H27 |
AB3C17D27 |
-111.13 |
0.41 |
-8.27 |
0.21 |
0 |
|
|
259328 |
103164130 |
1 |
NO2C18H29 |
AB2C18D29 |
-83.89 |
2.95 |
-8.6 |
0.17 |
0 |
|
|
259329 |
103164131 |
1 |
N2O3C16H24 |
A2B3C16D24 |
-43.67 |
5.88 |
-9.35 |
-1.32 |
0 |
|
|
259330 |
103164180 |
1 |
NOF2C15H21 |
ABC2D15E21 |
-127.85 |
2.32 |
-9.52 |
-0.4 |
0 |
|
|
259331 |
103164193 |
1 |
OCl2N2C14H14 |
AB2C2D14E14 |
18.35 |
4.24 |
-9.1 |
-0.58 |
0 |
|
|
259332 |
103164209 |
1 |
N2O3C16H20 |
A2B3C16D20 |
-38.39 |
3.09 |
-8.22 |
0.01 |
0 |
|
|
259333 |
103164236 |
1 |
OSN2C12H14 |
ABC2D12E14 |
39.92 |
2.79 |
-8.71 |
-0.4 |
0 |
|
|
259334 |
103164240 |
1 |
BrN2O2C16H19 |
AB2C2D16E19 |
-12.02 |
4.53 |
-8.91 |
-0.38 |
0 |
|
|
259335 |
103164254 |
1 |
NO3C14H19 |
AB3C14D19 |
-112.87 |
4.75 |
-8.56 |
-0.03 |
0 |
|
|
259336 |
103164270 |
1 |
NO3C15H21 |
AB3C15D21 |
-126.01 |
4.21 |
-8.58 |
0.1 |
0 |
|
|
259337 |
103164301 |
1 |
ON2C18H24 |
AB2C18D24 |
-10.64 |
3.21 |
-9.17 |
-0.74 |
0 |
|
|
259338 |
103164304 |
1 |
N2O2C17H24 |
A2B2C17D24 |
-44.69 |
1.87 |
-9.11 |
-0.39 |
0 |
|
|
259339 |
103164310 |
1 |
SN2C17H24 |
AB2C17D24 |
25.34 |
1.01 |
-8.93 |
-0.67 |
0 |
|
|
259340 |
103164340 |
1 |
ON2C16H26 |
AB2C16D26 |
-35.59 |
2.41 |
-8.98 |
0.1 |
0 |
|
|
259341 |
103164344 |
1 |
ON2C18H30 |
AB2C18D30 |
-45.48 |
3.58 |
-8.81 |
-0.06 |
0 |
|
|
259342 |
103164349 |
1 |
ClON2C16H25 |
ABC2D16E25 |
-40.06 |
1.99 |
-9.06 |
-0.56 |
0 |
|
|
259343 |
103164353 |
1 |
ON3C12H19 |
AB3C12D19 |
-16.85 |
1.59 |
-9.6 |
-0.42 |
0 |
|
|
259344 |
103164356 |
1 |
O2N3C16H27 |
A2B3C16D27 |
-70.59 |
3.89 |
-9.07 |
-0.5 |
0 |
|
|
259345 |
103164360 |
1 |
ClON2C8H11 |
ABC2D8E11 |
9.21 |
3.12 |
-10.82 |
-0.64 |
0 |
|
|
259346 |
103164406 |
1 |
SN2O3C14H20 |
AB2C3D14E20 |
-115.35 |
6.64 |
-9.47 |
-0.6 |
0 |
|
|
259347 |
103164420 |
3 |
NC3H5 |
AB3C5 |
28.58 |
2.81 |
-9.76 |
0.44 |
0 |
|
|
259348 |
103164431 |
1 |
N3C13H15 |
A3B13C15 |
66.9 |
3.03 |
-9.1 |
-0.15 |
0 |
|
|
259349 |
103164453 |
1 |
SO2N3C12H21 |
AB2C3D12E21 |
-51.96 |
6.62 |
-8.45 |
0.0 |
0 |