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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
311268 |
126590105 |
1 |
FSO2N4H17C20 |
ABC2D4E17F20 |
-19.04 |
6.55 |
-8.64 |
-0.96 |
0 |
|
|
311269 |
126590109 |
1 |
FN2O3C33H39 |
AB2C3D33E39 |
-147.36 |
6.31 |
-8.72 |
-0.16 |
0 |
|
|
311270 |
126590115 |
1 |
NO3C9H19 |
AB3C9D19 |
-153.8 |
4.61 |
-9.32 |
1.23 |
0 |
|
|
311271 |
126590116 |
1 |
NO3C8H17 |
AB3C8D17 |
-149.5 |
4.24 |
-9.21 |
1.71 |
0 |
|
|
311272 |
126590122 |
1 |
FOSN4H15C18 |
ABCD4E15F18 |
28.52 |
8.12 |
-8.42 |
-0.6 |
0 |
|
|
311273 |
126590123 |
1 |
ON3H33C46 |
AB3C33D46 |
176.79 |
1.34 |
-8.21 |
-0.73 |
0 |
|
|
311274 |
126590125 |
2 |
NH13C18 |
AB13C18 |
160.58 |
0.77 |
-8.18 |
-0.49 |
0 |
|
|
311275 |
126590128 |
1 |
ON4C13H22 |
AB4C13D22 |
-28.46 |
3.81 |
-9.0 |
0.37 |
0 |
|
|
311276 |
126590130 |
1 |
SO2C12H18 |
AB2C12D18 |
-65.61 |
4.74 |
-8.5 |
0.44 |
0 |
|
|
311277 |
126590149 |
1 |
FSO3N4H17C19 |
ABC3D4E17F19 |
27.3 |
6.53 |
-8.72 |
-1.94 |
0 |
|
|
311278 |
126590150 |
1 |
FN2O4H15C16 |
AB2C4D15E16 |
-167.56 |
1.63 |
-8.58 |
-0.51 |
0 |
|
|
311279 |
126590151 |
1 |
FNOSC24H28 |
ABCDE24F28 |
-44.63 |
3.39 |
-8.57 |
-0.65 |
0 |
|
|
311280 |
126590181 |
1 |
BrN2O2C14H21 |
AB2C2D14E21 |
-50.03 |
3.66 |
-8.78 |
-0.19 |
0 |
|
|
311281 |
126590191 |
1 |
FSN4O4C34H37 |
ABC4D4E34F37 |
-107.97 |
5.85 |
-8.38 |
-0.58 |
0 |
|
|
311282 |
126590210 |
1 |
FO2N3C37H46 |
AB2C3D37E46 |
-116.75 |
2.22 |
-8.64 |
0.0 |
0 |
|
|
311283 |
126590222 |
1 |
BrON2C16H21 |
ABC2D16E21 |
-21.88 |
2.04 |
-8.92 |
-0.42 |
0 |
|
|
311284 |
126590223 |
1 |
FN2O4C33H39 |
AB2C4D33E39 |
-166.63 |
4.93 |
-8.8 |
-0.46 |
0 |
|
|
311285 |
126590236 |
1 |
FSN3O3C24H26 |
ABC3D3E24F26 |
-104.54 |
8.42 |
-8.28 |
-0.71 |
0 |
|
|
311286 |
126590239 |
1 |
FN2O3C30H33 |
AB2C3D30E33 |
-111.93 |
5.11 |
-8.94 |
-0.42 |
0 |
|
|
311287 |
126590240 |
1 |
FSN6O6C33H33 |
ABC6D6E33F33 |
-157.63 |
5.7 |
-8.92 |
-0.84 |
0 |
|
|
311288 |
126590247 |
1 |
FN3O3C39H50 |
AB3C3D39E50 |
-137.58 |
2.54 |
-8.46 |
-0.36 |
0 |
|
|
311289 |
126590254 |
1 |
FN2O3C33H39 |
AB2C3D33E39 |
-142.91 |
4.57 |
-8.87 |
-0.32 |
0 |
|
|
311290 |
126590272 |
1 |
FN2O4C34H41 |
AB2C4D34E41 |
-190.74 |
5.5 |
-8.29 |
-0.15 |
0 |
|
|
311291 |
126590275 |
1 |
F2N3O3C33H37 |
A2B3C3D33E37 |
-175.91 |
5.17 |
-9.01 |
-0.5 |
0 |
|
|
311292 |
126590287 |
2 |
NH18C26 |
AB18C26 |
224.78 |
1.78 |
-7.98 |
-0.6 |
0 |
|
|
311293 |
126590290 |
1 |
NH43C60 |
AB43C60 |
221.6 |
1.43 |
-8.17 |
-0.52 |
0 |
|
|
311294 |
126590295 |
1 |
FSO5N7C26H32 |
ABC5D7E26F32 |
-94.73 |
4.9 |
-8.78 |
-0.48 |
0 |
|
|
311295 |
126590296 |
1 |
N3H37C55 |
A3B37C55 |
263.6 |
4.2 |
-8.08 |
-0.86 |
0 |
|
|
311296 |
126590304 |
2 |
NH22C30 |
AB22C30 |
257.03 |
1.73 |
-7.85 |
-0.45 |
0 |
|
|
311297 |
126590311 |
2 |
NH18C27 |
AB18C27 |
232.91 |
0.54 |
-8.1 |
-0.47 |
0 |
|
|
311298 |
126590313 |
1 |
ON3H35C54 |
AB3C35D54 |
205.36 |
2.49 |
-8.07 |
-0.75 |
0 |
|
|
311299 |
126590316 |
1 |
ON2C38H42 |
AB2C38D42 |
52.61 |
1.28 |
-7.92 |
-0.54 |
0 |
|
|
311300 |
126590317 |
1 |
NO2C25H29 |
AB2C25D29 |
-22.54 |
5.09 |
-8.91 |
-0.53 |
0 |
|
|
311301 |
126590321 |
1 |
SO3N5H25C28 |
AB3C5D25E28 |
-1.42 |
2.68 |
-8.59 |
-0.95 |
0 |
|
|
311302 |
126590324 |
1 |
NC19H19 |
AB19C19 |
54.6 |
0.8 |
-7.82 |
-0.05 |
0 |
|
|
311303 |
126590326 |
1 |
NO2C25H29 |
AB2C25D29 |
16.1 |
2.09 |
-7.57 |
-0.97 |
0 |
|
|
311304 |
126590328 |
1 |
NC23H27 |
AB23C27 |
19.82 |
2.0 |
-8.0 |
0.16 |
0 |
|
|
311305 |
126590332 |
1 |
NO2C30H33 |
AB2C30D33 |
8.18 |
0.77 |
-8.38 |
-0.23 |
0 |
|
|
311306 |
126590346 |
3 |
NOC10H11 |
ABC10D11 |
-63.81 |
3.77 |
-9.51 |
-0.76 |
0 |
|
|
311307 |
126590374 |
1 |
FSN2O2H9C14 |
ABC2D2E9F14 |
-36.83 |
1.43 |
-8.91 |
-1.0 |
0 |
|
|
311308 |
126590383 |
1 |
BrON2C17H25 |
ABC2D17E25 |
-53.78 |
3.87 |
-8.59 |
0.04 |
0 |
|
|
311309 |
126590384 |
1 |
BrN3O5C32H44 |
AB3C5D32E44 |
-215.67 |
2.89 |
-8.44 |
-0.2 |
0 |
|
|
311310 |
126590385 |
1 |
FSN3O3C25H30 |
ABC3D3E25F30 |
-103.83 |
4.61 |
-8.57 |
-0.66 |
0 |
|
|
311311 |
126590386 |
1 |
BrO2N3C25H32 |
AB2C3D25E32 |
-69.35 |
1.84 |
-8.86 |
-0.15 |
0 |
|
|
311312 |
126590393 |
1 |
OF2N3C30H33 |
AB2C3D30E33 |
-75.16 |
5.65 |
-9.05 |
-0.25 |
0 |
|
|
311313 |
126590394 |
1 |
SN2O2C21H26 |
AB2C2D21E26 |
-35.76 |
8.23 |
-8.06 |
-0.23 |
0 |
|
|
311314 |
126590395 |
1 |
SN2O2C20H24 |
AB2C2D20E24 |
-32.32 |
6.4 |
-8.19 |
-0.12 |
0 |
|
|
311315 |
126590396 |
1 |
ClC3N3H6 |
AB3C3D6 |
64.68 |
3.7 |
-9.28 |
-0.34 |
0 |
|
|
311316 |
126590402 |
2 |
FC4H5 |
AB4C5 |
-69.68 |
2.58 |
-10.12 |
0.16 |
0 |
|
|
311317 |
126590416 |
1 |
FSO2N3C22H22 |
ABC2D3E22F22 |
-50.57 |
5.92 |
-8.61 |
-0.73 |
0 |
|
|
311318 |
126590424 |
2 |
NH26C33 |
AB26C33 |
259.29 |
0.51 |
-7.93 |
-0.82 |
0 |
|
|
311319 |
126590438 |
1 |
SO4N5H23C27 |
AB4C5D23E27 |
-38.09 |
10.16 |
-8.87 |
-1.07 |
0 |
|
|
311320 |
126590439 |
1 |
FSN3O3H26C27 |
ABC3D3E26F27 |
-75.43 |
6.58 |
-8.64 |
-0.83 |
0 |
|
|
311321 |
126590453 |
1 |
FSO3N5C30H30 |
ABC3D5E30F30 |
-42.18 |
10.21 |
-8.46 |
-0.59 |
0 |
|
|
311322 |
126590457 |
1 |
SN2O2C10H10 |
AB2C2D10E10 |
-21.35 |
2.53 |
-9.56 |
-0.85 |
0 |
|
|
311323 |
126590474 |
1 |
NO3C8H15 |
AB3C8D15 |
-129.16 |
5.68 |
-9.42 |
0.95 |
0 |
|
|
311324 |
126590477 |
1 |
N3C8H15 |
A3B8C15 |
22.82 |
4.96 |
-8.88 |
0.85 |
0 |
|
|
311325 |
126590486 |
1 |
FSN3O4H24C27 |
ABC3D4E24F27 |
-96.86 |
8.13 |
-8.65 |
-0.78 |
0 |
|
|
311326 |
126590490 |
1 |
ClIN2C6H14 |
ABC2D6E14 |
-10.62 |
2.93 |
-9.2 |
-0.83 |
0 |
|
|
311327 |
126590503 |
1 |
FSN4O4C32H39 |
ABC4D4E32F39 |
-117.47 |
6.49 |
-8.14 |
-0.61 |
0 |
|
|
311328 |
126590504 |
1 |
FSN3O3H20C22 |
ABC3D3E20F22 |
-71.33 |
7.63 |
-8.62 |
-0.75 |
0 |
|
|
311329 |
126590510 |
1 |
ClF3O3N5H27C28 |
AB3C3D5E27F28 |
-193.38 |
4.09 |
-9.31 |
-1.0 |
0 |
|
|
311330 |
126590511 |
1 |
N3O3C14H15 |
A3B3C14D15 |
-81.22 |
7.18 |
-9.79 |
-1.04 |
0 |
|
|
311331 |
126590513 |
1 |
N3O4C13H15 |
A3B4C13D15 |
-89.9 |
7.3 |
-9.1 |
-0.38 |
0 |
|
|
311332 |
126590514 |
1 |
SO3N4F6H18C26 |
AB3C4D6E18F26 |
-326.06 |
4.78 |
-9.59 |
-1.12 |
0 |
|
|
311333 |
126590515 |
1 |
SO6C22H24 |
AB6C22D24 |
-208.75 |
8.24 |
-9.21 |
-0.57 |
0 |
|
|
311334 |
126590519 |
1 |
ClSN6O8C46H63 |
ABC6D8E46F63 |
-292.28 |
10.97 |
-8.51 |
-0.91 |
0 |
|
|
311335 |
126590526 |
1 |
F3N5C30H32 |
A3B5C30D32 |
-27.61 |
1.82 |
-8.45 |
-0.49 |
0 |
|
|
311336 |
126590531 |
1 |
N3O6C19H29 |
A3B6C19D29 |
-216.5 |
6.18 |
-10.06 |
-0.19 |
0 |
|
|
311337 |
126590537 |
1 |
NOF3C13H20 |
ABC3D13E20 |
-195.09 |
2.46 |
-8.68 |
0.2 |
0 |
|
|
311338 |
126590540 |
1 |
NO2C14H27 |
AB2C14D27 |
-112.16 |
3.01 |
-8.69 |
0.5 |
0 |
|
|
311339 |
126590547 |
1 |
ON2C15H26 |
AB2C15D26 |
-46.74 |
1.58 |
-9.23 |
-0.41 |
0 |
|
|
311340 |
126590550 |
1 |
FN3C10H20 |
AB3C10D20 |
-23.51 |
4.41 |
-9.84 |
-0.06 |
0 |
|
|
311341 |
126590553 |
1 |
FN6O9C20H31 |
AB6C9D20E31 |
-413.02 |
2.64 |
-10.1 |
-0.33 |
0 |
|
|
311342 |
126590555 |
1 |
FN5O7C19H22 |
AB5C7D19E22 |
-281.63 |
4.91 |
-10.02 |
-0.57 |
0 |
|
|
311343 |
126590563 |
1 |
SO3N4C26H32 |
AB3C4D26E32 |
-58.35 |
6.8 |
-8.81 |
-0.89 |
0 |
|
|
311344 |
126590593 |
1 |
FSO5N7C24H28 |
ABC5D7E24F28 |
-87.39 |
6.9 |
-8.93 |
-0.64 |
0 |
|
|
311345 |
126590595 |
1 |
ClSN7O9C47H66 |
ABC7D9E47F66 |
-358.76 |
6.67 |
-8.51 |
-0.92 |
0 |
|
|
311346 |
126590623 |
1 |
SN5O7C29H35 |
AB5C7D29E35 |
-154.96 |
4.92 |
-8.9 |
-0.54 |
0 |
|
|
311347 |
126590627 |
1 |
S3N10O19C106H152 |
A3B10C19D106E152 |
-857.54 |
10.8 |
-8.34 |
-0.34 |
0 |
|
|
311348 |
126590632 |
1 |
SN3O5C28H37 |
AB3C5D28E37 |
-94.43 |
3.02 |
-8.67 |
-0.03 |
0 |
|
|
311349 |
126590637 |
1 |
SO5N7C25H29 |
AB5C7D25E29 |
-54.26 |
6.71 |
-8.62 |
-0.6 |
0 |
|
|
311350 |
126590639 |
1 |
SO2C8H18 |
AB2C8D18 |
-126.41 |
2.56 |
-9.07 |
0.2 |
0 |
|
|
311351 |
126590641 |
1 |
O2N5H23C30 |
A2B5C23D30 |
106.57 |
2.35 |
-8.61 |
-0.94 |
0 |
|
|
311352 |
126590643 |
2 |
N2C7H8 |
A2B7C8 |
63.07 |
0.88 |
-8.79 |
-0.5 |
0 |
|
|
311353 |
126590645 |
1 |
N3O8C17H25 |
A3B8C17D25 |
-316.17 |
3.55 |
-10.12 |
-0.68 |
0 |
|
|
311354 |
126590650 |
1 |
FSO5N7C24H28 |
ABC5D7E24F28 |
-86.96 |
9.16 |
-8.8 |
-0.75 |
0 |
|
|
311355 |
126590772 |
1 |
NC11H17 |
AB11C17 |
-3.99 |
2.47 |
-9.38 |
0.15 |
0 |
|
|
311356 |
126590810 |
1 |
NSO2H9C10 |
ABC2D9E10 |
-27.74 |
2.46 |
-9.9 |
-1.14 |
0 |
|
|
311357 |
126591031 |
1 |
OF3N5C17H18 |
AB3C5D17E18 |
-121.04 |
9.92 |
-8.61 |
-0.25 |
0 |
|
|
311358 |
126591033 |
1 |
O2F4N4H16C17 |
A2B4C4D16E17 |
-209.46 |
6.64 |
-9.07 |
-1.03 |
0 |
|
|
311359 |
126591034 |
1 |
N2O3F4C17H20 |
A2B3C4D17E20 |
-343.06 |
7.08 |
-9.28 |
-0.66 |
0 |
|
|
311360 |
126591041 |
2 |
ClSN2O3C9H12 |
ABC2D3E9F12 |
-203.71 |
5.77 |
-9.86 |
-0.71 |
0 |
|
|
311361 |
126591071 |
2 |
NOC4H7 |
ABC4D7 |
-70.37 |
3.04 |
-9.17 |
0.58 |
0 |
|
|
311362 |
126591099 |
1 |
Cl2N2O3C29H32 |
A2B2C3D29E32 |
-108.37 |
3.64 |
-8.36 |
-0.41 |
0 |
|
|
311363 |
126591111 |
1 |
ClINO3C19H19 |
ABCD3E19F19 |
-87.68 |
1.44 |
-9.57 |
-1.51 |
0 |
|
|
311364 |
126591137 |
1 |
F2N2C9H14 |
A2B2C9D14 |
-68.71 |
1.71 |
-9.27 |
1.55 |
0 |
|
|
311365 |
126591138 |
2 |
FNC8H10 |
ABC8D10 |
-43.22 |
2.04 |
-8.96 |
0.43 |
0 |
|
|
311366 |
126591158 |
1 |
ON4H22C39 |
AB4C22D39 |
200.43 |
3.55 |
-8.16 |
-1.48 |
0 |
|
|
311367 |
126591159 |
1 |
N5H21C34 |
A5B21C34 |
221.81 |
3.75 |
-8.35 |
-1.52 |
0 |