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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
339279 |
127260658 |
1 |
ClO2C14H15 |
AB2C14D15 |
-61.85 |
5.56 |
-8.72 |
-0.27 |
0 |
|
|
339280 |
127260659 |
1 |
O2C9H16 |
A2B9C16 |
-115.49 |
2.42 |
-9.7 |
0.41 |
0 |
|
|
339281 |
127260660 |
1 |
O2C9H16 |
A2B9C16 |
-114.01 |
2.26 |
-9.66 |
0.46 |
0 |
|
|
339282 |
127261073 |
1 |
N3O3C17H21 |
A3B3C17D21 |
-43.53 |
3.21 |
-8.99 |
-0.84 |
0 |
|
|
339283 |
127261074 |
1 |
N3O3C15H17 |
A3B3C15D17 |
-38.66 |
1.88 |
-8.88 |
-0.86 |
0 |
|
|
339284 |
127261075 |
1 |
BrN3O3C14H14 |
AB3C3D14E14 |
-26.81 |
5.15 |
-9.33 |
-1.1 |
0 |
|
|
339285 |
127261119 |
1 |
N3O4C15H17 |
A3B4C15D17 |
-76.69 |
4.23 |
-9.25 |
-1.05 |
0 |
|
|
339286 |
127261120 |
1 |
N3O4C17H21 |
A3B4C17D21 |
-77.73 |
5.39 |
-8.96 |
-0.92 |
0 |
|
|
339287 |
127261121 |
1 |
BrN3O4C14H14 |
AB3C4D14E14 |
-61.97 |
5.72 |
-9.39 |
-1.13 |
0 |
|
|
339288 |
127261122 |
1 |
ClN3O4C14H14 |
AB3C4D14E14 |
-71.11 |
7.06 |
-9.34 |
-1.13 |
0 |
|
|
339289 |
127261123 |
1 |
N3O4C15H15 |
A3B4C15D15 |
-41.67 |
4.09 |
-9.09 |
-0.9 |
0 |
|
|
339290 |
127261124 |
1 |
N3O4H13C15 |
A3B4C13D15 |
-10.3 |
3.99 |
-9.08 |
-0.9 |
0 |
|
|
339291 |
127261125 |
1 |
ClN3O3H16C19 |
AB3C3D16E19 |
-11.32 |
2.62 |
-9.24 |
-0.98 |
0 |
|
|
339292 |
127261126 |
1 |
ClSN3C10H12 |
ABC3D10E12 |
42.29 |
7.14 |
-8.51 |
-0.46 |
0 |
|
|
339293 |
127261127 |
2 |
N2O3H7C9 |
A2B3C7D9 |
-29.55 |
10.23 |
-9.4 |
-1.45 |
0 |
|
|
339294 |
127261128 |
1 |
N4O5H16C19 |
A4B5C16D19 |
-6.05 |
6.66 |
-9.35 |
-1.4 |
0 |
|
|
339295 |
127261129 |
1 |
O3N4C16H20 |
A3B4C16D20 |
-40.66 |
2.62 |
-8.88 |
-0.92 |
0 |
|
|
339296 |
127261130 |
1 |
N3O4H13C14 |
A3B4C13D14 |
-36.59 |
4.65 |
-9.08 |
-0.99 |
0 |
|
|
339297 |
127261131 |
1 |
O3N4C14H16 |
A3B4C14D16 |
-27.5 |
4.5 |
-8.98 |
-0.82 |
0 |
|
|
339298 |
127261132 |
1 |
SN3O3C14H15 |
AB3C3D14E15 |
-26.13 |
3.52 |
-9.04 |
-0.87 |
0 |
|
|
339299 |
127261133 |
1 |
SN3O3C19H25 |
AB3C3D19E25 |
-52.61 |
3.82 |
-8.99 |
-0.93 |
0 |
|
|
339300 |
127261134 |
1 |
O3N4C13H14 |
A3B4C13D14 |
-24.76 |
3.38 |
-9.14 |
-0.9 |
0 |
|
|
339301 |
127261135 |
1 |
SN3O3C13H13 |
AB3C3D13E13 |
-20.29 |
3.47 |
-9.0 |
-0.93 |
0 |
|
|
339302 |
127261136 |
1 |
SN3O3C17H21 |
AB3C3D17E21 |
-41.11 |
4.2 |
-9.12 |
-0.94 |
0 |
|
|
339303 |
127261137 |
1 |
O3N4H16C18 |
A3B4C16D18 |
5.91 |
5.42 |
-8.85 |
-1.09 |
0 |
|
|
339304 |
127261138 |
1 |
N3O4H17C19 |
A3B4C17D19 |
-32.37 |
5.5 |
-9.02 |
-0.96 |
0 |
|
|
339305 |
127261139 |
1 |
O3N4C15H18 |
A3B4C15D18 |
-36.73 |
1.87 |
-8.89 |
-0.86 |
0 |
|
|
339306 |
127261140 |
1 |
SN3O3C15H17 |
AB3C3D15E17 |
-32.37 |
3.18 |
-9.03 |
-0.93 |
0 |
|
|
339307 |
127261141 |
1 |
ClOC6N6H9 |
ABC6D6E9 |
49.53 |
1.87 |
-9.81 |
-0.62 |
0 |
|
|
339308 |
127261142 |
1 |
IO2N3H10C11 |
AB2C3D10E11 |
31.03 |
1.55 |
-8.99 |
-1.03 |
0 |
|
|
339309 |
127261143 |
1 |
N4O4H10C11 |
A4B4C10D11 |
10.52 |
5.4 |
-9.42 |
-1.65 |
0 |
|
|
339310 |
127261144 |
1 |
ON2F3C9H9 |
AB2C3D9E9 |
-132.38 |
5.36 |
-9.4 |
-0.82 |
0 |
|
|
339311 |
127261145 |
2 |
NC8H9 |
AB8C9 |
52.99 |
2.32 |
-8.23 |
0.1 |
0 |
|
|
339312 |
127261146 |
2 |
NC6H8 |
AB6C8 |
54.64 |
1.59 |
-8.41 |
0.26 |
0 |
|
|
339313 |
127261147 |
1 |
SiN2C12H20 |
AB2C12D20 |
6.61 |
1.6 |
-8.16 |
0.34 |
0 |
|
|
339314 |
127261148 |
1 |
NOCl5H8C10 |
ABC5D8E10 |
-44.19 |
3.61 |
-9.63 |
-0.8 |
0 |
|
|
339315 |
127261149 |
1 |
NOSC10H13 |
ABCD10E13 |
-6.86 |
0.1 |
-8.29 |
-0.12 |
0 |
|
|
339316 |
127261150 |
1 |
ClOSN2C9H11 |
ABCD2E9F11 |
20.58 |
3.21 |
-8.73 |
-0.82 |
0 |
|
|
339317 |
127261151 |
1 |
N2S2F3H7C10 |
A2B2C3D7E10 |
-85.52 |
4.9 |
-9.24 |
-1.61 |
0 |
|
|
339318 |
127261152 |
1 |
NSO2Cl3H8C10 |
ABC2D3E8F10 |
-53.69 |
6.98 |
-10.14 |
-1.28 |
0 |
|
|
339319 |
127261153 |
1 |
OC14H18 |
AB14C18 |
-34.11 |
2.64 |
-8.67 |
0.67 |
0 |
|
|
339320 |
127261154 |
1 |
O2N3C11H19 |
A2B3C11D19 |
-35.48 |
6.89 |
-8.26 |
-0.45 |
0 |
|
|
339321 |
127261155 |
2 |
NOC7H10 |
ABC7D10 |
-34.74 |
2.67 |
-7.97 |
-0.16 |
0 |
|
|
339322 |
127261156 |
1 |
O4C15H22 |
A4B15C22 |
-173.13 |
4.08 |
-9.25 |
-0.45 |
0 |
|
|
339323 |
127261157 |
1 |
SBr2O4H14C15 |
AB2C4D14E15 |
-112.67 |
3.79 |
-9.37 |
-0.77 |
0 |
|
|
339324 |
127261158 |
1 |
ClSO4C11H15 |
ABC4D11E15 |
-170.56 |
6.02 |
-9.75 |
-0.62 |
0 |
|
|
339325 |
127261159 |
1 |
SO5C13H20 |
AB5C13D20 |
-206.08 |
5.94 |
-9.57 |
-0.47 |
0 |
|
|
339326 |
127261160 |
1 |
O4C13H18 |
A4B13C18 |
-154.04 |
3.03 |
-9.23 |
-0.33 |
0 |
|
|
339327 |
127261161 |
1 |
NO4C17H19 |
AB4C17D19 |
-125.75 |
4.3 |
-8.92 |
-0.15 |
0 |
|
|
339328 |
127261162 |
1 |
NO3C12H15 |
AB3C12D15 |
-97.37 |
5.65 |
-8.85 |
-0.07 |
0 |
|
|
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 |