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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
431293 |
135171364 |
1 |
OSBr2N4C15H20 |
ABC2D4E15F20 |
-7.1 |
3.98 |
-8.17 |
-0.56 |
0 |
|
|
431294 |
135171365 |
1 |
BrSO2N4C13H15 |
ABC2D4E13F15 |
-2.47 |
4.35 |
-8.71 |
-0.79 |
0 |
|
|
431295 |
135171366 |
1 |
BrClOSN4C12H12 |
ABCDE4F12G12 |
29.83 |
6.98 |
-8.88 |
-0.95 |
0 |
|
|
431296 |
135171367 |
1 |
IO2N6C18H19 |
AB2C6D18E19 |
80.7 |
8.07 |
-9.15 |
-1.12 |
0 |
|
|
431297 |
135171368 |
1 |
SC11H18 |
AB11C18 |
11.68 |
2.4 |
-8.48 |
0.04 |
0 |
|
|
431298 |
135171369 |
1 |
ClO3N6C34H37 |
AB3C6D34E37 |
-39.13 |
5.8 |
-8.59 |
-1.0 |
0 |
|
|
431299 |
135171370 |
1 |
O2N6C19H22 |
A2B6C19D22 |
54.23 |
5.76 |
-8.89 |
-1.0 |
0 |
|
|
431300 |
135171371 |
1 |
FSO3N4H27C29 |
ABC3D4E27F29 |
-68.56 |
3.78 |
-8.86 |
-1.67 |
0 |
|
|
431301 |
135171372 |
2 |
NC6H9 |
AB6C9 |
12.56 |
3.06 |
-8.33 |
0.08 |
0 |
|
|
431302 |
135171373 |
1 |
CPS2H5 |
ABC2D5 |
-15.36 |
1.56 |
-8.9 |
-1.28 |
0 |
|
|
431303 |
135171374 |
1 |
O2N5C17H23 |
A2B5C17D23 |
-7.19 |
2.82 |
-8.61 |
-0.38 |
0 |
|
|
431304 |
135171375 |
1 |
FO3N5C23H24 |
AB3C5D23E24 |
-74.8 |
6.87 |
-8.91 |
-0.71 |
0 |
|
|
431305 |
135171376 |
1 |
BrN4O4C17H19 |
AB4C4D17E19 |
-98.67 |
5.88 |
-8.8 |
-1.46 |
0 |
|
|
431306 |
135171377 |
1 |
O3N5C26H31 |
A3B5C26D31 |
-24.69 |
4.62 |
-8.99 |
-0.87 |
0 |
|
|
431307 |
135171378 |
1 |
FN4O4C18H21 |
AB4C4D18E21 |
-129.63 |
4.91 |
-8.64 |
-1.14 |
0 |
|
|
431308 |
135171379 |
1 |
ClFO3N4C20H22 |
ABC3D4E20F22 |
-111.36 |
7.44 |
-9.15 |
-0.78 |
0 |
|
|
431309 |
135171380 |
2 |
ON2C9H12 |
AB2C9D12 |
-25.91 |
4.16 |
-8.59 |
-0.31 |
0 |
|
|
431310 |
135171381 |
1 |
ClO3N4C21H25 |
AB3C4D21E25 |
-82.17 |
9.59 |
-9.01 |
-0.67 |
0 |
|
|
431311 |
135171382 |
1 |
ClO3N5C21H28 |
AB3C5D21E28 |
-80.83 |
3.98 |
-8.68 |
-0.8 |
0 |
|
|
431312 |
135171383 |
1 |
NC17H35 |
AB17C35 |
-68.53 |
1.43 |
-8.58 |
3.17 |
0 |
|
|
431313 |
135171384 |
1 |
ClION4C16H18 |
ABCD4E16F18 |
31.96 |
4.59 |
-9.22 |
-1.08 |
0 |
|
|
431314 |
135171385 |
1 |
ClON4C17H21 |
ABC4D17E21 |
1.57 |
2.69 |
-9.01 |
-0.46 |
0 |
|
|
431315 |
135171386 |
1 |
BrOS2N4C12H17 |
ABC2D4E12F17 |
21.44 |
2.47 |
-8.15 |
-0.44 |
0 |
|
|
431316 |
135171387 |
1 |
O5N11C46H51 |
A5B11C46D51 |
23.46 |
14.16 |
-8.77 |
-1.09 |
0 |
|
|
431317 |
135171388 |
1 |
O2N5C28H29 |
A2B5C28D29 |
27.47 |
5.99 |
-9.09 |
-0.93 |
0 |
|
|
431318 |
135171389 |
2 |
O3N7C24H26 |
A3B7C24D26 |
4.78 |
8.93 |
-8.68 |
-1.11 |
0 |
|
|
431319 |
135171390 |
1 |
O3N5C24H27 |
A3B5C24D27 |
32.35 |
2.95 |
-8.91 |
-0.87 |
0 |
|
|
431320 |
135171391 |
1 |
N2S2O7C20H34 |
A2B2C7D20E34 |
-320.67 |
3.61 |
-9.02 |
-0.23 |
0 |
|
|
431321 |
135171392 |
1 |
ClN2O2C11H15 |
AB2C2D11E15 |
-57.53 |
1.5 |
-8.72 |
-0.57 |
0 |
|
|
431322 |
135171393 |
1 |
O3N5C20H23 |
A3B5C20D23 |
-41.83 |
1.07 |
-8.68 |
-0.82 |
0 |
|
|
431323 |
135171394 |
1 |
N3O4C30H37 |
A3B4C30D37 |
-132.88 |
5.08 |
-8.77 |
-0.55 |
0 |
|
|
431324 |
135171395 |
1 |
N2O2C13H16 |
A2B2C13D16 |
-26.72 |
5.41 |
-8.67 |
-0.72 |
0 |
|
|
431325 |
135171396 |
1 |
FN2O2C11H15 |
AB2C2D11E15 |
-93.9 |
1.76 |
-8.73 |
-0.46 |
0 |
|
|
431326 |
135171397 |
1 |
NO2C11H17 |
AB2C11D17 |
-42.08 |
2.98 |
-9.24 |
-0.46 |
0 |
|
|
431327 |
135171402 |
1 |
ClO2N6C39H45 |
AB2C6D39E45 |
-18.62 |
5.73 |
-8.52 |
-0.8 |
0 |
|
|
431328 |
135171403 |
1 |
BrNO2C18H20 |
ABC2D18E20 |
-25.37 |
5.74 |
-9.08 |
-0.59 |
0 |
|
|
431329 |
135171404 |
1 |
NCl2C8H15 |
AB2C8D15 |
-46.74 |
3.84 |
-9.32 |
0.19 |
0 |
|
|
431330 |
135171405 |
1 |
BrNF3O3C10H15 |
ABC3D3E10F15 |
-298.15 |
1.96 |
-9.96 |
-1.06 |
0 |
|
|
431331 |
135171406 |
1 |
O3N5C27H31 |
A3B5C27D31 |
-34.02 |
3.2 |
-8.76 |
-0.85 |
0 |
|
|
431332 |
135171407 |
1 |
O4N5C26H31 |
A4B5C26D31 |
-71.85 |
2.59 |
-8.69 |
-0.89 |
0 |
|
|
431333 |
135171408 |
1 |
O3N5C26H29 |
A3B5C26D29 |
-25.92 |
4.07 |
-8.78 |
-0.86 |
0 |
|
|
431334 |
135171409 |
1 |
ClN3O4C20H22 |
AB3C4D20E22 |
-112.63 |
7.55 |
-8.84 |
-0.95 |
0 |
|
|
431335 |
135171410 |
1 |
ClN2C8H11 |
AB2C8D11 |
9.23 |
4.12 |
-9.66 |
-0.51 |
0 |
|
|
431336 |
135171411 |
1 |
FO3N10H43C44 |
AB3C10D43E44 |
52.65 |
1.13 |
-8.78 |
-1.2 |
0 |
|
|
431337 |
135171412 |
1 |
ClON3H6C8 |
ABC3D6E8 |
7.51 |
2.08 |
-9.81 |
-1.5 |
0 |
|
|
431338 |
135171413 |
1 |
ON2C17H20 |
AB2C17D20 |
31.36 |
4.53 |
-8.49 |
-0.71 |
0 |
|
|
431339 |
135171414 |
2 |
O3N6C26H29 |
A3B6C26D29 |
-46.86 |
3.8 |
-8.73 |
-1.03 |
0 |
|
|
431340 |
135171415 |
1 |
N2O3C16H18 |
A2B3C16D18 |
-88.01 |
2.67 |
-8.52 |
-0.16 |
0 |
|
|
431341 |
135171416 |
1 |
FO2N4C11H13 |
AB2C4D11E13 |
-60.89 |
4.51 |
-8.83 |
-0.96 |
0 |
|
|
431342 |
135171417 |
1 |
FO2N4C11H13 |
AB2C4D11E13 |
-87.22 |
3.57 |
-8.47 |
-0.47 |
0 |
|
|
431343 |
135171418 |
1 |
FNC12H16 |
ABC12D16 |
-37.66 |
2.01 |
-8.15 |
0.36 |
0 |
|
|
431344 |
135171419 |
1 |
N3O15C51H89 |
A3B15C51D89 |
-778.24 |
8.25 |
-9.53 |
-0.37 |
0 |
|
|
431345 |
135171420 |
1 |
FNC14H26 |
ABC14D26 |
-89.94 |
1.06 |
-8.52 |
2.82 |
0 |
|
|
431346 |
135171421 |
1 |
NC10H19 |
AB10C19 |
-23.72 |
1.97 |
-9.2 |
3.33 |
0 |
|
|
431347 |
135171422 |
1 |
NC13H23 |
AB13C23 |
-17.73 |
1.03 |
-8.51 |
1.3 |
0 |
|
|
431348 |
135171423 |
1 |
FNC14H26 |
ABC14D26 |
-100.34 |
0.87 |
-8.56 |
2.86 |
0 |
|
|
431349 |
135171424 |
1 |
FNC8H10 |
ABC8D10 |
-16.93 |
4.73 |
-9.15 |
-0.04 |
0 |
|
|
431350 |
135171425 |
1 |
ClO4N5C33H34 |
AB4C5D33E34 |
-65.21 |
5.88 |
-8.54 |
-0.91 |
0 |
|
|
431351 |
135171426 |
1 |
O2N3C28H29 |
A2B3C28D29 |
-12.84 |
5.58 |
-8.86 |
-0.62 |
0 |
|
|
431352 |
135171427 |
1 |
O2C13H18 |
A2B13C18 |
-71.1 |
3.77 |
-8.44 |
0.18 |
0 |
|
|
431353 |
135171428 |
1 |
NO6C33H63 |
AB6C33D63 |
-391.23 |
10.12 |
-10.07 |
0.74 |
0 |
|
|
431354 |
135171429 |
1 |
OSBr2N4C13H16 |
ABC2D4E13F16 |
18.84 |
3.47 |
-8.26 |
-0.48 |
0 |
|
|
431355 |
135171430 |
1 |
OSBr2N4C14H18 |
ABC2D4E14F18 |
-8.7 |
1.86 |
-8.13 |
-0.49 |
0 |
|
|
431356 |
135171431 |
1 |
BrClOSN4C14H18 |
ABCDE4F14G18 |
9.51 |
3.96 |
-8.29 |
-0.45 |
0 |
|
|
431357 |
135171432 |
1 |
O5N6C32H36 |
A5B6C32D36 |
-100.52 |
5.88 |
-8.73 |
-1.01 |
0 |
|
|
431358 |
135171433 |
1 |
NC9H19 |
AB9C19 |
-36.84 |
1.85 |
-9.3 |
3.38 |
0 |
|
|
431359 |
135171434 |
1 |
ON2C10H20 |
AB2C10D20 |
-71.49 |
2.48 |
-9.08 |
1.24 |
0 |
|
|
431360 |
135171435 |
1 |
N2O2C13H24 |
A2B2C13D24 |
-125.02 |
3.87 |
-9.35 |
0.86 |
0 |
|
|
431361 |
135171436 |
1 |
ClOSN4C12H13 |
ABCD4E12F13 |
32.16 |
7.09 |
-8.87 |
-1.0 |
0 |
|
|
431362 |
135171437 |
1 |
ClSO2N4C13H15 |
ABC2D4E13F15 |
-17.72 |
8.58 |
-8.91 |
-1.17 |
0 |
|
|
431363 |
135171438 |
1 |
OBr2S2N4C15H18 |
AB2C2D4E15F18 |
17.32 |
3.48 |
-8.38 |
-0.59 |
0 |
|
|
431364 |
135171439 |
1 |
OSBr2N4C17H18 |
ABC2D4E17F18 |
28.67 |
1.51 |
-8.18 |
-0.49 |
0 |
|
|
431365 |
135171440 |
1 |
OSBr2N4C14H18 |
ABC2D4E14F18 |
84.08 |
1.93 |
-8.16 |
-0.48 |
0 |
|
|
431366 |
135171441 |
1 |
OSBr2N4H10C11 |
ABC2D4E10F11 |
40.12 |
6.53 |
-8.98 |
-1.05 |
0 |
|
|
431367 |
135171442 |
1 |
OSBr2N4H10C11 |
ABC2D4E10F11 |
35.09 |
6.37 |
-8.93 |
-1.04 |
0 |
|
|
431368 |
135171443 |
1 |
BrN4O4H25C28 |
AB4C4D25E28 |
-56.07 |
2.33 |
-8.76 |
-1.15 |
0 |
|
|
431369 |
135171444 |
1 |
ClO4N5H30C33 |
AB4C5D30E33 |
-39.92 |
3.55 |
-8.69 |
-1.64 |
0 |
|
|
431370 |
135171445 |
1 |
O3C10H18 |
A3B10C18 |
-167.98 |
3.19 |
-9.75 |
1.3 |
0 |
|
|
431371 |
135171446 |
1 |
BrClOSN4C12H12 |
ABCDE4F12G12 |
30.95 |
7.3 |
-8.9 |
-0.93 |
0 |
|
|
431372 |
135171447 |
1 |
OSCl2N4C12H14 |
ABC2D4E12F14 |
17.91 |
4.21 |
-8.33 |
-0.46 |
0 |
|
|
431373 |
135171448 |
1 |
N4H48C63 |
A4B48C63 |
237.43 |
2.56 |
-7.63 |
-0.36 |
0 |
|
|
431374 |
135171449 |
1 |
NC8H11 |
AB8C11 |
18.66 |
3.02 |
-8.99 |
0.38 |
0 |
|
|
431375 |
135171450 |
1 |
ClSO2N5C18H18 |
ABC2D5E18F18 |
28.33 |
3.69 |
-8.46 |
-0.82 |
0 |
|
|
431376 |
135171451 |
1 |
FNOC13H22 |
ABCD13E22 |
-133.98 |
3.11 |
-9.21 |
1.12 |
0 |
|
|
431377 |
135171452 |
1 |
NC14H23 |
AB14C23 |
12.42 |
1.24 |
-8.35 |
1.01 |
0 |
|
|
431378 |
135171453 |
1 |
ClINO2C9H9 |
ABCD2E9F9 |
-48.47 |
1.17 |
-8.99 |
-1.66 |
0 |
|
|
431379 |
135171454 |
1 |
ClO4N6H33C34 |
AB4C6D33E34 |
-63.61 |
11.44 |
-8.74 |
-1.07 |
0 |
|
|
431380 |
135171455 |
1 |
FSO3N4C19H21 |
ABC3D4E19F21 |
-65.12 |
4.69 |
-8.46 |
-0.62 |
0 |
|
|
431381 |
135171456 |
1 |
O3N5H19C20 |
A3B5C19D20 |
-50.31 |
8.75 |
-9.24 |
-1.09 |
0 |
|
|
431382 |
135171457 |
1 |
O3N5C20H23 |
A3B5C20D23 |
-41.99 |
8.25 |
-8.84 |
-1.06 |
0 |
|
|
431383 |
135171458 |
1 |
NO2H19C22 |
AB2C19D22 |
-19.67 |
1.97 |
-8.46 |
-0.49 |
0 |
|
|
431384 |
135171459 |
1 |
NO2H19C22 |
AB2C19D22 |
-20.14 |
2.29 |
-8.61 |
-0.45 |
0 |
|
|
431385 |
135171460 |
1 |
NO2H19C22 |
AB2C19D22 |
-15.58 |
2.25 |
-8.56 |
-0.52 |
0 |
|
|
431386 |
135171461 |
1 |
ClSO2N4C13H15 |
ABC2D4E13F15 |
-15.09 |
7.54 |
-8.94 |
-1.08 |
0 |
|
|
431387 |
135171462 |
1 |
FSN3O3C18H20 |
ABC3D3E18F20 |
-102.44 |
4.38 |
-8.56 |
-0.83 |
0 |
|
|
431388 |
135171463 |
1 |
FSO2N4C19H19 |
ABC2D4E19F19 |
-8.61 |
4.98 |
-8.7 |
-1.06 |
0 |
|
|
431389 |
135171464 |
1 |
ClFSO2N6H30C31 |
ABCD2E6F30G31 |
-23.03 |
4.58 |
-8.78 |
-1.1 |
0 |
|
|
431390 |
135171465 |
1 |
SO2Cl3N5H14C17 |
AB2C3D5E14F17 |
24.15 |
3.97 |
-8.99 |
-1.43 |
0 |
|
|
431391 |
135171466 |
1 |
BrN2O2H13C15 |
AB2C2D13E15 |
-39.35 |
7.15 |
-9.37 |
-0.94 |
0 |
|
|
431392 |
135171467 |
2 |
NOC8H8 |
ABC8D8 |
-34.01 |
4.35 |
-9.33 |
-0.53 |
0 |