List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
330231 |
127247218 |
1 |
FSN3O3C16H18 |
ABC3D3E16F18 |
-122.66 |
3.89 |
-9.76 |
-0.24 |
0 |
|
|
330232 |
127247219 |
1 |
FSN3O3C16H18 |
ABC3D3E16F18 |
-124.8 |
4.28 |
-9.91 |
-0.36 |
0 |
|
|
330233 |
127247220 |
1 |
SO3N5C15H21 |
AB3C5D15E21 |
-69.6 |
4.55 |
-9.41 |
-0.18 |
0 |
|
|
330234 |
127247221 |
1 |
SO3N5C15H21 |
AB3C5D15E21 |
-63.86 |
3.6 |
-9.91 |
-0.32 |
0 |
|
|
330235 |
127247222 |
1 |
SO3N5C15H21 |
AB3C5D15E21 |
-69.73 |
4.31 |
-9.44 |
-0.27 |
0 |
|
|
330236 |
127247223 |
1 |
SO3N5C15H21 |
AB3C5D15E21 |
-61.76 |
1.15 |
-9.6 |
-0.06 |
0 |
|
|
330237 |
127247224 |
1 |
SO3N5C15H21 |
AB3C5D15E21 |
-66.49 |
7.65 |
-9.53 |
-0.02 |
0 |
|
|
330238 |
127247225 |
1 |
SN4O4C15H20 |
AB4C4D15E20 |
-97.06 |
4.81 |
-9.96 |
-0.26 |
0 |
|
|
330239 |
127247226 |
1 |
SO3N6C14H20 |
AB3C6D14E20 |
-51.27 |
3.68 |
-10.24 |
-0.36 |
0 |
|
|
330240 |
127247227 |
1 |
S2N3O3C15H19 |
A2B3C3D15E19 |
-82.76 |
3.41 |
-9.49 |
-0.37 |
0 |
|
|
330241 |
127247228 |
1 |
S2O3N4C14H18 |
A2B3C4D14E18 |
-74.21 |
2.85 |
-9.52 |
-0.69 |
0 |
|
|
330242 |
127247229 |
1 |
S2N4O4C13H16 |
A2B4C4D13E16 |
-94.49 |
6.77 |
-10.19 |
-1.28 |
0 |
|
|
330243 |
127247230 |
1 |
SO2N4C18H22 |
AB2C4D18E22 |
-13.23 |
7.74 |
-8.41 |
-0.06 |
0 |
|
|
330244 |
127247231 |
1 |
SO3N5C16H17 |
AB3C5D16E17 |
-30.73 |
2.4 |
-9.27 |
-0.81 |
0 |
|
|
330245 |
127247232 |
1 |
S2O4N5C12H17 |
A2B4C5D12E17 |
-97.9 |
10.96 |
-9.75 |
-0.26 |
0 |
|
|
330246 |
127247233 |
1 |
SN3O3C18H21 |
AB3C3D18E21 |
-55.04 |
2.71 |
-9.71 |
-0.2 |
0 |
|
|
330247 |
127247234 |
1 |
SN3O3C18H21 |
AB3C3D18E21 |
-54.77 |
2.98 |
-8.55 |
-0.33 |
0 |
|
|
330248 |
127247235 |
1 |
SO2N5C17H21 |
AB2C5D17E21 |
-5.31 |
6.98 |
-9.08 |
-0.34 |
0 |
|
|
330249 |
127247236 |
1 |
ON4C14H18 |
AB4C14D18 |
13.07 |
3.22 |
-9.2 |
0.02 |
0 |
|
|
330250 |
127247237 |
1 |
ON5C13H17 |
AB5C13D17 |
29.6 |
7.23 |
-9.61 |
-0.16 |
0 |
|
|
330251 |
127247238 |
2 |
ON2C7H9 |
AB2C7D9 |
5.26 |
5.46 |
-9.78 |
-0.76 |
0 |
|
|
330252 |
127247239 |
1 |
OSN3C14H17 |
ABC3D14E17 |
15.35 |
6.25 |
-9.1 |
-0.13 |
0 |
|
|
330253 |
127247240 |
1 |
OSN3C14H17 |
ABC3D14E17 |
10.03 |
5.67 |
-9.21 |
-0.61 |
0 |
|
|
330254 |
127247241 |
1 |
OSN3C14H17 |
ABC3D14E17 |
7.83 |
6.24 |
-9.36 |
-0.58 |
0 |
|
|
330255 |
127247242 |
1 |
OSN3C14H17 |
ABC3D14E17 |
9.92 |
5.92 |
-9.13 |
-0.66 |
0 |
|
|
330256 |
127247243 |
1 |
O2N5C14H17 |
A2B5C14D17 |
-17.4 |
1.55 |
-9.71 |
-0.98 |
0 |
|
|
330257 |
127247244 |
1 |
ON5C15H21 |
AB5C15D21 |
16.07 |
6.54 |
-9.32 |
0.13 |
0 |
|
|
330258 |
127247245 |
1 |
O2N4C15H20 |
A2B4C15D20 |
-3.17 |
5.45 |
-9.64 |
-0.59 |
0 |
|
|
330259 |
127247246 |
1 |
OSN3C15H19 |
ABC3D15E19 |
0.93 |
4.43 |
-9.39 |
-0.3 |
0 |
|
|
330260 |
127247247 |
1 |
O3N5C13H17 |
A3B5C13D17 |
-83.63 |
3.11 |
-9.85 |
-0.02 |
0 |
|
|
330261 |
127247248 |
1 |
ON4C17H18 |
AB4C17D18 |
34.29 |
6.24 |
-8.91 |
-0.64 |
0 |
|
|
330262 |
127247249 |
1 |
ON6C15H16 |
AB6C15D16 |
73.94 |
8.44 |
-9.28 |
-1.43 |
0 |
|
|
330263 |
127247250 |
1 |
ON6C15H16 |
AB6C15D16 |
77.17 |
6.52 |
-9.55 |
-1.29 |
0 |
|
|
330264 |
127247251 |
1 |
ON5C16H19 |
AB5C16D19 |
49.87 |
6.12 |
-9.62 |
-1.16 |
0 |
|
|
330265 |
127247252 |
1 |
N3O3C16H17 |
A3B3C16D17 |
-47.76 |
6.96 |
-9.19 |
-0.7 |
0 |
|
|
330266 |
127247253 |
2 |
ON2C8H10 |
AB2C8D10 |
2.31 |
4.78 |
-9.49 |
-0.65 |
0 |
|
|
330267 |
127247254 |
1 |
O2N5C15H19 |
A2B5C15D19 |
-13.86 |
6.43 |
-9.58 |
-1.16 |
0 |
|
|
330268 |
127247255 |
1 |
ON5C16H23 |
AB5C16D23 |
7.44 |
6.2 |
-9.42 |
0.07 |
0 |
|
|
330269 |
127247256 |
1 |
OSN3C16H19 |
ABC3D16E19 |
15.81 |
7.51 |
-9.1 |
-0.51 |
0 |
|
|
330270 |
127247257 |
1 |
O2N5C15H21 |
A2B5C15D21 |
-8.07 |
6.22 |
-9.73 |
-0.35 |
0 |
|
|
330271 |
127247258 |
1 |
ON4C18H18 |
AB4C18D18 |
44.31 |
6.06 |
-9.48 |
-1.12 |
0 |
|
|
330272 |
127247259 |
1 |
ON4C18H18 |
AB4C18D18 |
46.38 |
8.36 |
-9.26 |
-1.1 |
0 |
|
|
330273 |
127247260 |
1 |
ON4C18H18 |
AB4C18D18 |
43.38 |
6.28 |
-9.53 |
-1.2 |
0 |
|
|
330274 |
127247261 |
1 |
ON4C18H20 |
AB4C18D20 |
27.38 |
6.15 |
-8.43 |
0.06 |
0 |
|
|
330275 |
127247262 |
1 |
ON4C18H20 |
AB4C18D20 |
30.83 |
4.2 |
-8.71 |
-0.3 |
0 |
|
|
330276 |
127247263 |
1 |
O2N3C18H19 |
A2B3C18D19 |
-9.66 |
6.37 |
-8.91 |
-0.88 |
0 |
|
|
330277 |
127247264 |
1 |
ON5C17H19 |
AB5C17D19 |
47.84 |
9.84 |
-8.97 |
-0.16 |
0 |
|
|
330278 |
127247265 |
1 |
ON5C17H19 |
AB5C17D19 |
38.33 |
7.54 |
-9.31 |
-0.98 |
0 |
|
|
330279 |
127247266 |
1 |
ON5C17H19 |
AB5C17D19 |
37.15 |
6.93 |
-9.28 |
-0.92 |
0 |
|
|
330280 |
127247267 |
1 |
ON3C19H23 |
AB3C19D23 |
-1.57 |
6.42 |
-8.89 |
0.45 |
0 |
|
|
330281 |
127247268 |
1 |
FON4C17H17 |
ABC4D17E17 |
-12.48 |
6.11 |
-9.01 |
-0.91 |
0 |
|
|
330282 |
127247269 |
1 |
FON4C17H17 |
ABC4D17E17 |
-14.12 |
5.28 |
-9.09 |
-0.99 |
0 |
|
|
330283 |
127247270 |
1 |
O2N4C17H20 |
A2B4C17D20 |
-41.0 |
9.15 |
-9.18 |
-0.84 |
0 |
|
|
330284 |
127247271 |
1 |
N3O3C17H19 |
A3B3C17D19 |
-57.5 |
7.79 |
-9.07 |
-0.52 |
0 |
|
|
330285 |
127247272 |
1 |
N3O3C17H19 |
A3B3C17D19 |
-55.21 |
6.26 |
-9.02 |
-0.4 |
0 |
|
|
330286 |
127247273 |
1 |
ON5C17H25 |
AB5C17D25 |
-1.59 |
4.4 |
-9.22 |
0.72 |
0 |
|
|
330287 |
127247274 |
1 |
ON5C17H25 |
AB5C17D25 |
-1.3 |
4.11 |
-9.49 |
0.41 |
0 |
|
|
330288 |
127247275 |
1 |
ON5C17H25 |
AB5C17D25 |
7.22 |
5.0 |
-9.44 |
-0.17 |
0 |
|
|
330289 |
127247276 |
1 |
ON5C17H25 |
AB5C17D25 |
6.98 |
3.44 |
-9.55 |
-0.21 |
0 |
|
|
330290 |
127247277 |
1 |
FO2N3C17H20 |
AB2C3D17E20 |
-78.68 |
4.22 |
-9.02 |
-0.28 |
0 |
|
|
330291 |
127247278 |
1 |
O2N5C16H23 |
A2B5C16D23 |
-29.09 |
3.05 |
-9.73 |
-0.23 |
0 |
|
|
330292 |
127247279 |
1 |
ClON3C17H20 |
ABC3D17E20 |
-6.69 |
7.8 |
-9.25 |
0.04 |
0 |
|
|
330293 |
127247280 |
1 |
O3N5C15H21 |
A3B5C15D21 |
-102.55 |
5.97 |
-9.74 |
-0.23 |
0 |
|
|
330294 |
127247281 |
1 |
SN3O3C15H19 |
AB3C3D15E19 |
-61.61 |
2.89 |
-9.47 |
-0.82 |
0 |
|
|
330295 |
127247282 |
1 |
ClFON3C16H17 |
ABCD3E16F17 |
-45.0 |
2.95 |
-9.53 |
-0.3 |
0 |
|
|
330296 |
127247283 |
1 |
ON6C17H18 |
AB6C17D18 |
69.92 |
4.78 |
-9.51 |
-0.8 |
0 |
|
|
330297 |
127247284 |
1 |
ON6C17H18 |
AB6C17D18 |
75.97 |
6.06 |
-9.58 |
-1.33 |
0 |
|
|
330298 |
127247285 |
1 |
ON6C17H18 |
AB6C17D18 |
67.12 |
6.15 |
-9.67 |
-1.48 |
0 |
|
|
330299 |
127247286 |
1 |
ON5C18H21 |
AB5C18D21 |
27.93 |
3.42 |
-9.08 |
-0.25 |
0 |
|
|
330300 |
127247287 |
1 |
ON5C18H21 |
AB5C18D21 |
29.49 |
1.39 |
-8.89 |
-0.52 |
0 |
|
|
330301 |
127247288 |
1 |
ON6C17H20 |
AB6C17D20 |
62.02 |
3.81 |
-9.49 |
-0.75 |
0 |
|
|
330302 |
127247289 |
1 |
O2N5C17H19 |
A2B5C17D19 |
27.75 |
7.0 |
-10.03 |
-1.28 |
0 |
|
|
330303 |
127247290 |
1 |
O2N3C19H23 |
A2B3C19D23 |
-12.25 |
4.87 |
-8.99 |
-0.04 |
0 |
|
|
330304 |
127247291 |
1 |
ON5C18H23 |
AB5C18D23 |
20.16 |
6.67 |
-8.7 |
-0.31 |
0 |
|
|
330305 |
127247292 |
1 |
O3N4C17H18 |
A3B4C17D18 |
-53.33 |
2.77 |
-9.49 |
-0.86 |
0 |
|
|
330306 |
127247293 |
2 |
ON2C9H11 |
AB2C9D11 |
-48.49 |
8.6 |
-9.12 |
-0.91 |
0 |
|
|
330307 |
127247294 |
1 |
ON5C18H25 |
AB5C18D25 |
17.91 |
4.3 |
-9.16 |
-0.08 |
0 |
|
|
330308 |
127247295 |
1 |
ON4C15H20 |
AB4C15D20 |
9.77 |
3.09 |
-9.02 |
0.35 |
0 |
|
|
330309 |
127247296 |
1 |
OSN3C14H17 |
ABC3D14E17 |
17.95 |
3.8 |
-9.14 |
-0.33 |
0 |
|
|
330310 |
127247297 |
1 |
ON5C15H21 |
AB5C15D21 |
17.01 |
4.84 |
-9.48 |
0.12 |
0 |
|
|
330311 |
127247298 |
1 |
ON5C15H21 |
AB5C15D21 |
18.01 |
3.42 |
-9.26 |
0.12 |
0 |
|
|
330312 |
127247299 |
1 |
O2N4C15H20 |
A2B4C15D20 |
-4.6 |
6.4 |
-9.26 |
-0.32 |
0 |
|
|
330313 |
127247300 |
1 |
OSN3C15H19 |
ABC3D15E19 |
6.62 |
6.0 |
-9.09 |
-0.06 |
0 |
|
|
330314 |
127247301 |
1 |
OSN3C15H19 |
ABC3D15E19 |
8.01 |
6.47 |
-8.87 |
-0.07 |
0 |
|
|
330315 |
127247302 |
1 |
OSN3C15H19 |
ABC3D15E19 |
2.35 |
4.95 |
-9.16 |
-0.74 |
0 |
|
|
330316 |
127247303 |
1 |
OSN3C15H19 |
ABC3D15E19 |
1.0 |
5.13 |
-9.19 |
-0.7 |
0 |
|
|
330317 |
127247304 |
1 |
OSN3C15H19 |
ABC3D15E19 |
2.99 |
4.84 |
-9.15 |
-0.69 |
0 |
|
|
330318 |
127247305 |
1 |
O2N4C15H22 |
A2B4C15D22 |
-69.74 |
3.58 |
-9.13 |
0.18 |
0 |
|
|
330319 |
127247306 |
1 |
ON4C17H22 |
AB4C17D22 |
5.61 |
4.48 |
-9.58 |
0.0 |
0 |
|
|
330320 |
127247307 |
1 |
O2N5C15H19 |
A2B5C15D19 |
-26.31 |
1.75 |
-9.28 |
-0.93 |
0 |
|
|
330321 |
127247308 |
1 |
ON5C16H23 |
AB5C16D23 |
6.52 |
4.25 |
-9.4 |
0.14 |
0 |
|
|
330322 |
127247309 |
1 |
ON5C16H23 |
AB5C16D23 |
5.02 |
1.76 |
-9.37 |
0.12 |
0 |
|
|
330323 |
127247310 |
1 |
ON5C16H23 |
AB5C16D23 |
14.56 |
6.73 |
-9.05 |
0.2 |
0 |
|
|
330324 |
127247311 |
1 |
ON5C16H23 |
AB5C16D23 |
9.48 |
7.39 |
-9.08 |
0.28 |
0 |
|
|
330325 |
127247312 |
2 |
ON2C8H11 |
AB2C8D11 |
-11.63 |
3.98 |
-9.22 |
-0.3 |
0 |
|
|
330326 |
127247313 |
2 |
ON2C8H11 |
AB2C8D11 |
-19.77 |
3.05 |
-9.33 |
-0.23 |
0 |
|
|
330327 |
127247314 |
1 |
OSN3C16H21 |
ABC3D16E21 |
-7.05 |
4.82 |
-9.31 |
-0.24 |
0 |
|
|
330328 |
127247315 |
1 |
OSN3C16H21 |
ABC3D16E21 |
-0.93 |
6.65 |
-9.09 |
-0.18 |
0 |
|
|
330329 |
127247316 |
1 |
O3N5C14H19 |
A3B5C14D19 |
-91.7 |
2.87 |
-9.65 |
0.07 |
0 |
|
|
330330 |
127247317 |
1 |
ON3C19H23 |
AB3C19D23 |
23.67 |
3.49 |
-9.33 |
-0.05 |
0 |