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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
130207 |
51075260 |
2 |
NC8H12 |
AB8C12 |
24.62 |
0.93 |
-8.31 |
0.4 |
0 |
|
|
130208 |
51075268 |
1 |
SO2N3C18H19 |
AB2C3D18E19 |
-14.92 |
3.77 |
-8.94 |
-0.7 |
0 |
|
|
130209 |
51075269 |
1 |
O2N3C20H21 |
A2B3C20D21 |
-21.64 |
5.7 |
-8.82 |
-0.78 |
0 |
|
|
130210 |
51075270 |
1 |
OSF2N2C12H12 |
ABC2D2E12F12 |
-94.64 |
2.23 |
-9.76 |
-1.1 |
0 |
|
|
130211 |
51075277 |
1 |
SN2O3H14C16 |
AB2C3D14E16 |
-36.43 |
2.9 |
-9.16 |
-0.65 |
0 |
|
|
130212 |
51075278 |
1 |
OSN4C15H16 |
ABC4D15E16 |
50.47 |
3.07 |
-8.54 |
-0.5 |
0 |
|
|
130213 |
51075282 |
1 |
O2N3C19H29 |
A2B3C19D29 |
-88.04 |
5.64 |
-8.41 |
-0.41 |
0 |
|
|
130214 |
51075290 |
1 |
O3N4C15H24 |
A3B4C15D24 |
-108.5 |
7.7 |
-9.2 |
0.09 |
0 |
|
|
130215 |
51075292 |
1 |
OF3N3C15H16 |
AB3C3D15E16 |
-161.1 |
7.75 |
-9.3 |
-0.95 |
0 |
|
|
130216 |
51075295 |
1 |
OSN3C16H19 |
ABC3D16E19 |
-4.93 |
4.57 |
-8.95 |
-0.4 |
0 |
|
|
130217 |
51075296 |
1 |
OSF2N2C13H18 |
ABC2D2E13F18 |
-126.75 |
3.53 |
-8.86 |
-0.98 |
0 |
|
|
130218 |
51075297 |
1 |
O2N4C13H22 |
A2B4C13D22 |
-27.43 |
1.51 |
-8.54 |
-0.78 |
0 |
|
|
130219 |
51075298 |
1 |
ON2F3C16H21 |
AB2C3D16E21 |
-200.49 |
4.54 |
-9.03 |
-0.62 |
0 |
|
|
130220 |
51075300 |
1 |
N3O4C17H25 |
A3B4C17D25 |
-149.83 |
5.14 |
-9.02 |
-0.41 |
0 |
|
|
130221 |
51075303 |
1 |
SN2O2C16H22 |
AB2C2D16E22 |
-83.76 |
3.85 |
-8.78 |
0.0 |
0 |
|
|
130222 |
51075311 |
1 |
N2O3C14H22 |
A2B3C14D22 |
-126.82 |
2.15 |
-8.95 |
0.42 |
0 |
|
|
130223 |
51075315 |
1 |
ON3C11H17 |
AB3C11D17 |
-1.44 |
3.74 |
-9.26 |
0.32 |
0 |
|
|
130224 |
51075316 |
1 |
O2N3C12H19 |
A2B3C12D19 |
-59.25 |
4.88 |
-9.34 |
-0.23 |
0 |
|
|
130225 |
51075317 |
1 |
ON3C14H23 |
AB3C14D23 |
-29.61 |
0.87 |
-8.96 |
0.91 |
0 |
|
|
130226 |
51075318 |
1 |
NO2C13H19 |
AB2C13D19 |
-63.59 |
4.34 |
-9.22 |
0.58 |
0 |
|
|
130227 |
51075321 |
1 |
SN2O2C8H12 |
AB2C2D8E12 |
-57.01 |
4.96 |
-8.98 |
-0.41 |
0 |
|
|
130228 |
51075323 |
1 |
SN2O2C13H14 |
AB2C2D13E14 |
-28.85 |
4.19 |
-9.25 |
-0.75 |
0 |
|
|
130229 |
51075324 |
1 |
SO2N3C18H21 |
AB2C3D18E21 |
-44.25 |
6.81 |
-9.47 |
-0.75 |
0 |
|
|
130230 |
51075328 |
1 |
N3O3C19H23 |
A3B3C19D23 |
-62.82 |
3.07 |
-8.68 |
0.09 |
0 |
|
|
130231 |
51075331 |
1 |
FOSN4C17H19 |
ABCD4E17F19 |
-17.05 |
2.54 |
-8.92 |
-0.55 |
0 |
|
|
130232 |
51075333 |
1 |
O2N4C17H20 |
A2B4C17D20 |
-46.06 |
3.79 |
-8.8 |
-0.09 |
0 |
|
|
130233 |
51075340 |
1 |
O3N4C17H18 |
A3B4C17D18 |
-53.59 |
6.01 |
-8.89 |
-1.36 |
0 |
|
|
130234 |
51075342 |
1 |
NO3C13H19 |
AB3C13D19 |
-105.02 |
4.0 |
-8.93 |
-0.13 |
0 |
|
|
130235 |
51075344 |
1 |
N2O3C13H20 |
A2B3C13D20 |
-99.92 |
3.0 |
-8.49 |
-0.21 |
0 |
|
|
130236 |
51075346 |
1 |
NO3C13H19 |
AB3C13D19 |
-109.21 |
1.45 |
-8.85 |
-0.09 |
0 |
|
|
130237 |
51075349 |
1 |
NO4C12H17 |
AB4C12D17 |
-153.31 |
1.79 |
-9.21 |
-0.23 |
0 |
|
|
130238 |
51075350 |
1 |
NO3C13H19 |
AB3C13D19 |
-113.67 |
1.51 |
-8.84 |
-0.07 |
0 |
|
|
130239 |
51075351 |
2 |
NO2C6H9 |
AB2C6D9 |
-139.08 |
4.82 |
-8.97 |
-0.14 |
0 |
|
|
130240 |
51075352 |
1 |
NO3C11H17 |
AB3C11D17 |
-108.93 |
2.0 |
-8.95 |
-0.35 |
0 |
|
|
130241 |
51075357 |
1 |
FN3O3C16H20 |
AB3C3D16E20 |
-82.09 |
2.64 |
-9.12 |
-0.66 |
0 |
|
|
130242 |
51075358 |
1 |
ClOSN4C13H17 |
ABCD4E13F17 |
47.74 |
0.66 |
-9.04 |
-0.46 |
0 |
|
|
130243 |
51075360 |
1 |
N3O4C18H23 |
A3B4C18D23 |
-112.18 |
5.79 |
-8.39 |
-0.27 |
0 |
|
|
130244 |
51075365 |
1 |
NOF3C12H18 |
ABC3D12E18 |
-232.5 |
3.81 |
-9.98 |
1.02 |
0 |
|
|
130245 |
51075366 |
1 |
SN2O3C12H24 |
AB2C3D12E24 |
-153.89 |
3.82 |
-9.55 |
-0.03 |
0 |
|
|
130246 |
51075371 |
1 |
SN2O4C12H24 |
AB2C4D12E24 |
-192.52 |
5.57 |
-9.48 |
0.08 |
0 |
|
|
130247 |
51075372 |
1 |
SN2O5C12H24 |
AB2C5D12E24 |
-237.69 |
3.72 |
-9.36 |
-0.21 |
0 |
|
|
130248 |
51075373 |
1 |
O2N3C15H21 |
A2B3C15D21 |
-70.01 |
6.64 |
-9.35 |
-0.36 |
0 |
|
|
130249 |
51075378 |
1 |
SN3O3C12H23 |
AB3C3D12E23 |
-95.69 |
4.24 |
-9.07 |
0.13 |
0 |
|
|
130250 |
51075379 |
1 |
SN3O3C16H27 |
AB3C3D16E27 |
-103.11 |
4.87 |
-8.97 |
0.14 |
0 |
|
|
130251 |
51075380 |
1 |
ON2C14H28 |
AB2C14D28 |
-83.43 |
2.34 |
-8.47 |
1.22 |
0 |
|
|
130252 |
51075384 |
1 |
OSN2C10H14 |
ABC2D10E14 |
-14.59 |
3.96 |
-9.22 |
-0.9 |
0 |
|
|
130253 |
51075388 |
1 |
OSN5C15H15 |
ABC5D15E15 |
85.45 |
7.08 |
-8.93 |
-1.08 |
0 |
|
|
130254 |
51075390 |
1 |
N2S2O5C9H12 |
A2B2C5D9E12 |
-178.22 |
3.33 |
-9.81 |
-1.84 |
0 |
|
|
130255 |
51075391 |
1 |
SN3O3C14H31 |
AB3C3D14E31 |
-155.95 |
3.33 |
-8.49 |
0.01 |
0 |
|
|
130256 |
51075392 |
1 |
SO2N4C15H20 |
AB2C4D15E20 |
-6.28 |
2.39 |
-9.12 |
-0.35 |
0 |
|
|
130257 |
51075405 |
1 |
ON3C18H23 |
AB3C18D23 |
6.42 |
2.89 |
-8.75 |
-0.4 |
0 |
|
|
130258 |
51075408 |
1 |
N2O4C17H18 |
A2B4C17D18 |
-82.62 |
3.88 |
-9.48 |
-0.67 |
0 |
|
|
130259 |
51075414 |
1 |
OSN3H15C19 |
ABC3D15E19 |
97.81 |
4.5 |
-8.41 |
-0.74 |
0 |
|
|
130260 |
51075416 |
1 |
OSN6C16H16 |
ABC6D16E16 |
104.13 |
7.9 |
-9.1 |
-1.17 |
0 |
|
|
130261 |
51075422 |
2 |
NOH7C8 |
ABC7D8 |
-10.09 |
2.85 |
-9.02 |
-0.64 |
0 |
|
|
130262 |
51075423 |
1 |
O2N3C17H17 |
A2B3C17D17 |
-44.55 |
6.0 |
-9.05 |
-0.34 |
0 |
|
|
130263 |
51075428 |
1 |
FON3C14H16 |
ABC3D14E16 |
-8.47 |
2.37 |
-9.39 |
-0.7 |
0 |
|
|
130264 |
51075435 |
1 |
OCl2N4H12C15 |
AB2C4D12E15 |
30.22 |
2.4 |
-9.23 |
-1.01 |
0 |
|
|
130265 |
51075437 |
1 |
SO2N4C15H18 |
AB2C4D15E18 |
-49.41 |
7.25 |
-9.21 |
-0.55 |
0 |
|
|
130266 |
51075440 |
1 |
O2N5C15H19 |
A2B5C15D19 |
-36.88 |
6.01 |
-8.28 |
-0.3 |
0 |
|
|
130267 |
51075443 |
1 |
O2N5C17H23 |
A2B5C17D23 |
-47.81 |
2.09 |
-8.55 |
-0.54 |
0 |
|
|
130268 |
51075449 |
1 |
SN3O3C10H21 |
AB3C3D10E21 |
-120.29 |
2.65 |
-8.75 |
-0.11 |
0 |
|
|
130269 |
51075451 |
1 |
N2O2C11H18 |
A2B2C11D18 |
-61.94 |
5.49 |
-9.05 |
-0.2 |
0 |
|
|
130270 |
51075452 |
1 |
O2N3H15C16 |
A2B3C15D16 |
0.19 |
4.91 |
-9.26 |
-0.89 |
0 |
|
|
130271 |
51075453 |
1 |
FN2S2O3C14H21 |
AB2C2D3E14F21 |
-171.36 |
3.49 |
-8.65 |
-0.35 |
0 |
|
|
130272 |
51075467 |
1 |
NS2O4C12H19 |
AB2C4D12E19 |
-169.11 |
4.45 |
-9.49 |
-0.49 |
0 |
|
|
130273 |
51075470 |
1 |
SN2O5C12H24 |
AB2C5D12E24 |
-230.69 |
3.05 |
-9.53 |
-0.11 |
0 |
|
|
130274 |
51075474 |
1 |
N3O3H15C17 |
A3B3C15D17 |
-55.68 |
6.79 |
-9.31 |
-1.74 |
0 |
|
|
130275 |
51075476 |
1 |
O3N4H16C19 |
A3B4C16D19 |
-25.47 |
6.44 |
-8.61 |
-0.76 |
0 |
|
|
130276 |
51075477 |
1 |
N3O4C18H21 |
A3B4C18D21 |
-93.57 |
2.81 |
-8.96 |
-0.58 |
0 |
|
|
130277 |
51075485 |
1 |
NO5C16H19 |
AB5C16D19 |
-181.91 |
3.29 |
-9.02 |
-0.35 |
0 |
|
|
130278 |
51075490 |
1 |
NSO3C12H17 |
ABC3D12E17 |
-119.56 |
5.58 |
-9.21 |
-0.53 |
0 |
|
|
130279 |
51075491 |
1 |
ClNO3C13H16 |
ABC3D13E16 |
-124.91 |
2.71 |
-9.7 |
-0.54 |
0 |
|
|
130280 |
51075492 |
1 |
NO4C14H19 |
AB4C14D19 |
-156.02 |
4.55 |
-9.16 |
-0.06 |
0 |
|
|
130281 |
51075494 |
1 |
NO5C15H21 |
AB5C15D21 |
-200.02 |
3.22 |
-9.06 |
0.0 |
0 |
|
|
130282 |
51075496 |
1 |
NF3O4C14H16 |
AB3C4D14E16 |
-318.31 |
5.36 |
-9.7 |
-0.65 |
0 |
|
|
130283 |
51075498 |
1 |
N2O3C17H20 |
A2B3C17D20 |
-84.5 |
4.21 |
-8.85 |
-0.47 |
0 |
|
|
130284 |
51075499 |
1 |
ClFNO3C13H15 |
ABCD3E13F15 |
-169.54 |
4.33 |
-9.59 |
-0.8 |
0 |
|
|
130285 |
51075510 |
1 |
NO4C15H19 |
AB4C15D19 |
-147.61 |
3.15 |
-9.52 |
0.05 |
0 |
|
|
130286 |
51075512 |
1 |
ClNO4C15H18 |
ABC4D15E18 |
-148.78 |
3.93 |
-9.52 |
-0.57 |
0 |
|
|
130287 |
51075515 |
1 |
ClN2O5C15H17 |
AB2C5D15E17 |
-129.39 |
6.6 |
-10.16 |
-1.88 |
0 |
|
|
130288 |
51075518 |
2 |
NO2C8H13 |
AB2C8D13 |
-207.63 |
5.61 |
-9.54 |
0.6 |
0 |
|
|
130289 |
51075520 |
1 |
NO4C20H21 |
AB4C20D21 |
-135.25 |
1.8 |
-8.87 |
-0.65 |
0 |
|
|
130290 |
51075521 |
1 |
NSO4C16H17 |
ABC4D16E17 |
-121.56 |
1.43 |
-9.21 |
-0.45 |
0 |
|
|
130291 |
51075522 |
1 |
NSO5C17H19 |
ABC5D17E19 |
-156.03 |
5.4 |
-8.61 |
-0.45 |
0 |
|
|
130292 |
51075525 |
1 |
OSN4C17H18 |
ABC4D17E18 |
33.84 |
4.64 |
-9.0 |
-0.98 |
0 |
|
|
130293 |
51075528 |
1 |
O3N4C18H20 |
A3B4C18D20 |
-64.29 |
7.14 |
-8.81 |
-1.14 |
0 |
|
|
130294 |
51075529 |
1 |
SO2N3C17H17 |
AB2C3D17E17 |
-44.85 |
3.28 |
-8.96 |
-0.77 |
0 |
|
|
130295 |
51075532 |
1 |
N3O3C15H23 |
A3B3C15D23 |
-105.5 |
4.44 |
-8.94 |
-0.06 |
0 |
|
|
130296 |
51075542 |
1 |
N2O4H14C15 |
A2B4C14D15 |
-83.7 |
4.96 |
-9.02 |
-0.97 |
0 |
|
|
130297 |
51075544 |
1 |
N2O4H14C15 |
A2B4C14D15 |
-81.22 |
3.26 |
-9.15 |
-1.21 |
0 |
|
|
130298 |
51075545 |
1 |
NS2O3H9C13 |
AB2C3D9E13 |
-31.29 |
4.91 |
-9.17 |
-1.6 |
0 |
|
|
130299 |
51075548 |
1 |
FON2H13C15 |
ABC2D13E15 |
-18.46 |
3.15 |
-9.05 |
-0.52 |
0 |
|
|
130300 |
51075549 |
1 |
FNOC14H20 |
ABCD14E20 |
-86.97 |
4.2 |
-9.03 |
0.01 |
0 |
|
|
130301 |
51075553 |
1 |
FNO2C16H18 |
ABC2D16E18 |
-86.78 |
5.61 |
-9.0 |
0.01 |
0 |
|
|
130302 |
51075554 |
1 |
NOF2C15H15 |
ABC2D15E15 |
-94.37 |
3.12 |
-9.56 |
-0.22 |
0 |
|
|
130303 |
51075559 |
1 |
FN2O3C19H19 |
AB2C3D19E19 |
-136.46 |
5.38 |
-9.62 |
-0.41 |
0 |
|
|
130304 |
51075560 |
1 |
FN2O3H17C19 |
AB2C3D17E19 |
-129.63 |
3.86 |
-9.74 |
-0.39 |
0 |
|
|
130305 |
51075561 |
1 |
F2N2O3H16C18 |
A2B2C3D16E18 |
-174.88 |
2.76 |
-9.27 |
-0.56 |
0 |
|
|
130306 |
51075562 |
1 |
FN2O5H11C16 |
AB2C5D11E16 |
-110.07 |
4.4 |
-9.95 |
-2.1 |
0 |