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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
447411 |
135282674 |
1 |
ClFNO6C28H33 |
ABCD6E28F33 |
-298.49 |
5.54 |
-9.28 |
-1.1 |
0 |
|
|
447412 |
135282678 |
1 |
O3N7H29C30 |
A3B7C29D30 |
4.38 |
2.24 |
-8.38 |
-0.96 |
0 |
|
|
447413 |
135282685 |
1 |
BrClN2O3C13H18 |
ABC2D3E13F18 |
-94.33 |
4.94 |
-9.87 |
-1.27 |
0 |
|
|
447414 |
135282692 |
1 |
FCl2N3O4H24C28 |
AB2C3D4E24F28 |
-129.13 |
2.15 |
-9.78 |
-1.67 |
0 |
|
|
447415 |
135282732 |
1 |
Cl2O4N5H25C28 |
A2B4C5D25E28 |
-59.81 |
3.86 |
-8.77 |
-1.06 |
0 |
|
|
447416 |
135282735 |
1 |
BrFCl2N3O3H19C24 |
ABC2D3E3F19G24 |
-106.26 |
3.16 |
-9.77 |
-1.47 |
0 |
|
|
447417 |
135282736 |
1 |
BrFCl2N3O3H19C24 |
ABC2D3E3F19G24 |
-106.28 |
3.03 |
-9.78 |
-1.47 |
0 |
|
|
447418 |
135282737 |
1 |
O3N7C28H29 |
A3B7C28D29 |
13.98 |
1.95 |
-8.52 |
-1.08 |
0 |
|
|
447419 |
135282743 |
1 |
ClO2N3H4C5 |
AB2C3D4E5 |
-51.54 |
5.32 |
-10.42 |
-1.39 |
0 |
|
|
447420 |
135282759 |
1 |
FCl2N3O4C29H30 |
AB2C3D4E29F30 |
-163.02 |
5.54 |
-9.66 |
-1.05 |
0 |
|
|
447421 |
135282762 |
1 |
ClF2N4O5H31C32 |
AB2C4D5E31F32 |
-201.76 |
4.89 |
-9.82 |
-1.54 |
0 |
|
|
447422 |
135282764 |
1 |
FCl2N4O4C32H35 |
AB2C4D4E32F35 |
-153.75 |
0.75 |
-8.91 |
-1.2 |
0 |
|
|
447423 |
135282770 |
1 |
Cl2F2O3N5C33H33 |
A2B2C3D5E33F33 |
-105.83 |
3.38 |
-9.28 |
-1.22 |
0 |
|
|
447424 |
135282772 |
1 |
FCl2N3O3C28H28 |
AB2C3D3E28F28 |
-111.87 |
5.47 |
-9.02 |
-1.12 |
0 |
|
|
447425 |
135282779 |
1 |
FCl2N4O4C31H33 |
AB2C4D4E31F33 |
-147.7 |
2.8 |
-9.43 |
-1.04 |
0 |
|
|
447426 |
135282782 |
1 |
ClFO4N5H29C32 |
ABC4D5E29F32 |
-56.34 |
7.07 |
-9.71 |
-1.36 |
0 |
|
|
447427 |
135282824 |
1 |
SO2N6C29H30 |
AB2C6D29E30 |
43.23 |
5.74 |
-8.34 |
-0.72 |
0 |
|
|
447428 |
135282825 |
1 |
N3O6C26H37 |
A3B6C26D37 |
-248.1 |
9.12 |
-9.18 |
-0.7 |
0 |
|
|
447429 |
135282827 |
1 |
N3O6C26H37 |
A3B6C26D37 |
-257.97 |
4.74 |
-9.26 |
-0.7 |
0 |
|
|
447430 |
135282832 |
1 |
FCl2N5O5H22C29 |
AB2C5D5E22F29 |
-106.67 |
4.73 |
-9.62 |
-1.57 |
0 |
|
|
447431 |
135282837 |
1 |
O3N5C25H35 |
A3B5C25D35 |
-51.42 |
3.72 |
-8.39 |
-0.59 |
0 |
|
|
447432 |
135282838 |
1 |
IN2O3C18H29 |
AB2C3D18E29 |
-122.89 |
7.75 |
-8.85 |
-0.87 |
0 |
|
|
447433 |
135282844 |
1 |
OF3N3C19H24 |
AB3C3D19E24 |
-161.75 |
2.3 |
-8.9 |
-0.95 |
0 |
|
|
447434 |
135282847 |
1 |
Cl2N2O4H24C27 |
A2B2C4D24E27 |
-91.2 |
5.5 |
-9.63 |
-1.38 |
0 |
|
|
447435 |
135282855 |
1 |
FCl2N4O4H25C28 |
AB2C4D4E25F28 |
-114.92 |
5.06 |
-9.55 |
-1.14 |
0 |
|
|
447436 |
135282857 |
1 |
FCl2N4O4C33H35 |
AB2C4D4E33F35 |
-148.9 |
7.35 |
-8.92 |
-1.25 |
0 |
|
|
447437 |
135282868 |
1 |
BrFCl2N3O3H19C24 |
ABC2D3E3F19G24 |
-106.05 |
3.76 |
-9.95 |
-1.68 |
0 |
|
|
447438 |
135282869 |
1 |
O3N4C20H28 |
A3B4C20D28 |
-100.58 |
7.03 |
-9.39 |
-0.59 |
0 |
|
|
447439 |
135282870 |
1 |
FCl2N4O5H21C27 |
AB2C4D5E21F27 |
-143.35 |
8.97 |
-9.26 |
-1.48 |
0 |
|
|
447440 |
135282874 |
1 |
ClFO2N4H22C29 |
ABC2D4E22F29 |
39.06 |
4.22 |
-9.81 |
-1.41 |
0 |
|
|
447441 |
135282886 |
2 |
ClNO2C14H15 |
ABC2D14E15 |
-145.1 |
2.86 |
-9.54 |
-0.83 |
0 |
|
|
447442 |
135282899 |
1 |
IN2O4C14H21 |
AB2C4D14E21 |
-108.61 |
4.95 |
-9.57 |
-1.37 |
0 |
|
|
447443 |
135282928 |
1 |
NCl2O2C6H13 |
AB2C2D6E13 |
-147.69 |
2.0 |
-10.12 |
0.08 |
0 |
|
|
447444 |
135282935 |
1 |
FCl2N3O3H24C27 |
AB2C3D3E24F27 |
-84.37 |
4.3 |
-9.71 |
-1.16 |
0 |
|
|
447445 |
135282944 |
2 |
ClN2O2C14H14 |
AB2C2D14E14 |
-87.32 |
3.2 |
-9.16 |
-0.87 |
0 |
|
|
447446 |
135282946 |
1 |
SO3N6H28C29 |
AB3C6D28E29 |
0.03 |
7.7 |
-8.16 |
-0.68 |
0 |
|
|
447447 |
135282958 |
1 |
BrNO3C17H24 |
ABC3D17E24 |
-119.89 |
5.33 |
-8.86 |
-0.09 |
0 |
|
|
447448 |
135282961 |
1 |
BrN2O2C12H17 |
AB2C2D12E17 |
-101.82 |
2.13 |
-9.73 |
-0.54 |
0 |
|
|
447449 |
135282965 |
1 |
ClON4C18H21 |
ABC4D18E21 |
28.49 |
7.14 |
-9.49 |
-1.26 |
0 |
|
|
447450 |
135282972 |
1 |
O5N6C29H34 |
A5B6C29D34 |
-118.71 |
5.01 |
-8.36 |
-0.51 |
0 |
|
|
447451 |
135282985 |
1 |
NZnO3C7H15 |
ABC3D7E15 |
-123.75 |
15.3 |
-8.15 |
-0.96 |
0 |
|
|
447452 |
135282991 |
1 |
BrN2O2Cl3H12C20 |
AB2C2D3E12F20 |
-15.86 |
2.68 |
-9.75 |
-1.51 |
0 |
|
|
447453 |
135283004 |
1 |
BrCl2N2O2H15C21 |
AB2C2D2E15F21 |
-6.61 |
2.59 |
-9.76 |
-1.23 |
0 |
|
|
447454 |
135283013 |
1 |
ClFN4O5C32H32 |
ABC4D5E32F32 |
-192.4 |
2.71 |
-9.64 |
-1.34 |
0 |
|
|
447455 |
135283019 |
2 |
ClFN2O2C15H16 |
ABC2D2E15F16 |
-205.69 |
1.76 |
-8.82 |
-1.15 |
0 |
|
|
447456 |
135283020 |
1 |
BrNO3C15H22 |
ABC3D15E22 |
-111.22 |
4.42 |
-9.37 |
-0.49 |
0 |
|
|
447457 |
135283025 |
1 |
OF3N3C22H24 |
AB3C3D22E24 |
-148.38 |
4.07 |
-9.23 |
-1.15 |
0 |
|
|
447458 |
135283026 |
1 |
O3N5C27H39 |
A3B5C27D39 |
-61.98 |
5.55 |
-8.33 |
-0.59 |
0 |
|
|
447459 |
135283033 |
1 |
BrN2O2C8H9 |
AB2C2D8E9 |
-76.94 |
6.68 |
-9.87 |
-0.74 |
0 |
|
|
447460 |
135283035 |
1 |
ClFON3C21H23 |
ABCD3E21F23 |
-34.88 |
7.59 |
-9.33 |
-1.09 |
0 |
|
|
447461 |
135283040 |
1 |
FCl2N3O4H22C26 |
AB2C3D4E22F26 |
-146.35 |
7.03 |
-9.66 |
-1.72 |
0 |
|
|
447462 |
135283049 |
1 |
ClN2O3C14H21 |
AB2C3D14E21 |
-108.52 |
5.68 |
-9.61 |
-0.79 |
0 |
|
|
447463 |
135283053 |
1 |
BrN2O3C14H21 |
AB2C3D14E21 |
-97.69 |
5.51 |
-9.64 |
-0.97 |
0 |
|
|
447464 |
135283066 |
1 |
FCl2N2O4H25C27 |
AB2C2D4E25F27 |
-170.57 |
5.9 |
-9.44 |
-0.92 |
0 |
|
|
447465 |
135283069 |
1 |
ClF2N4O5H31C32 |
AB2C4D5E31F32 |
-201.31 |
4.56 |
-9.81 |
-1.55 |
0 |
|
|
447466 |
135283076 |
1 |
NO3H15C18 |
AB3C15D18 |
-41.67 |
10.67 |
-8.55 |
-2.18 |
0 |
|
|
447467 |
135283077 |
1 |
O3N5C23H31 |
A3B5C23D31 |
-41.2 |
2.7 |
-8.39 |
-0.54 |
0 |
|
|
447468 |
135283098 |
1 |
ClFO4N5H23C30 |
ABC4D5E23F30 |
-43.87 |
6.99 |
-9.72 |
-1.52 |
0 |
|
|
447469 |
135283109 |
1 |
O3N6C28H32 |
A3B6C28D32 |
-18.94 |
2.16 |
-8.39 |
-0.5 |
0 |
|
|
447470 |
135283114 |
3 |
ON2C9H10 |
AB2C9D10 |
-45.79 |
4.36 |
-8.32 |
-0.54 |
0 |
|
|
447471 |
135283119 |
1 |
O3N6C28H30 |
A3B6C28D30 |
-19.03 |
4.73 |
-8.34 |
-0.52 |
0 |
|
|
447472 |
135283133 |
1 |
Cl2N2O3C13H18 |
A2B2C3D13E18 |
-137.37 |
6.08 |
-9.32 |
-0.84 |
0 |
|
|
447473 |
135283144 |
1 |
ON3C22H27 |
AB3C22D27 |
14.03 |
5.94 |
-9.02 |
-0.6 |
0 |
|
|
447474 |
135283161 |
2 |
O2N3C15H18 |
A2B3C15D18 |
-94.16 |
3.49 |
-8.36 |
-0.49 |
0 |
|
|
447475 |
135283162 |
1 |
O5N6C30H34 |
A5B6C30D34 |
-139.34 |
4.98 |
-8.4 |
-0.63 |
0 |
|
|
447476 |
135283165 |
1 |
O5N6C27H28 |
A5B6C27D28 |
-109.05 |
2.91 |
-8.53 |
-0.94 |
0 |
|
|
447477 |
135283170 |
2 |
ON3C13H15 |
AB3C13D15 |
-0.38 |
5.62 |
-8.3 |
-0.56 |
0 |
|
|
447478 |
135283173 |
1 |
SO2N7C28H29 |
AB2C7D28E29 |
50.74 |
3.82 |
-8.46 |
-1.29 |
0 |
|
|
447479 |
135283174 |
1 |
O3N6C29H34 |
A3B6C29D34 |
-38.94 |
4.4 |
-8.34 |
-0.42 |
0 |
|
|
447480 |
135283188 |
1 |
FCl2N3O5C32H32 |
AB2C3D5E32F32 |
-189.64 |
4.8 |
-9.62 |
-1.22 |
0 |
|
|
447481 |
135283192 |
2 |
O2N3C14H16 |
A2B3C14D16 |
-83.13 |
4.08 |
-8.41 |
-0.52 |
0 |
|
|
447482 |
135283210 |
1 |
O3N6C29H30 |
A3B6C29D30 |
5.23 |
4.27 |
-8.35 |
-0.48 |
0 |
|
|
447483 |
135283226 |
1 |
SCl2O2C6H10 |
AB2C2D6E10 |
-85.75 |
0.41 |
-9.42 |
-2.96 |
0 |
|
|
447484 |
135283232 |
2 |
O2C7H15 |
A2B7C15 |
-105.84 |
0.37 |
-8.78 |
0.54 |
0 |
|
|
447485 |
135283240 |
1 |
O3N4C11H18 |
A3B4C11D18 |
-95.43 |
2.81 |
-9.69 |
-0.43 |
0 |
|
|
447486 |
135283263 |
1 |
F3S3N6O6C18H19 |
A3B3C6D6E18F19 |
-299.32 |
6.49 |
-9.64 |
-1.36 |
0 |
|
|
447487 |
135283292 |
1 |
FNO2C8H12 |
ABC2D8E12 |
-101.02 |
3.29 |
-9.38 |
-0.95 |
0 |
|
|
447488 |
135283299 |
1 |
SO2F3N6H15C16 |
AB2C3D6E15F16 |
-135.05 |
6.47 |
-9.73 |
-1.29 |
0 |
|
|
447489 |
135283307 |
1 |
ClOF2N2H5C10 |
ABC2D2E5F10 |
-51.11 |
6.16 |
-8.91 |
-1.82 |
0 |
|
|
447490 |
135283313 |
1 |
N2O2H16C19 |
A2B2C16D19 |
76.55 |
3.39 |
-8.99 |
-0.48 |
0 |
|
|
447491 |
135283321 |
1 |
ClSF2N3O4H20C22 |
ABC2D3E4F20G22 |
-90.42 |
9.66 |
-9.01 |
-1.38 |
0 |
|
|
447492 |
135283322 |
1 |
ClOF2N2H9C11 |
ABC2D2E9F11 |
-71.85 |
2.46 |
-9.95 |
-1.19 |
0 |
|
|
447493 |
135283337 |
1 |
O2N5C11H11 |
A2B5C11D11 |
28.16 |
6.77 |
-10.25 |
-0.86 |
0 |
|
|
447494 |
135283343 |
1 |
N2O9C30H38 |
A2B9C30D38 |
-375.27 |
6.58 |
-8.9 |
-0.45 |
0 |
|
|
447495 |
135283346 |
1 |
N5O12C60H85 |
A5B12C60D85 |
-529.68 |
7.85 |
-8.68 |
-0.77 |
0 |
|
|
447496 |
135283355 |
1 |
BrCl2N7O15C32H52 |
AB2C7D15E32F52 |
-677.0 |
11.27 |
-9.76 |
-1.07 |
0 |
|
|
447497 |
135283367 |
1 |
IO3C10H11 |
AB3C10D11 |
-105.88 |
2.95 |
-9.56 |
-1.79 |
0 |
|
|
447498 |
135283370 |
1 |
IO3C6H11 |
AB3C6D11 |
-133.38 |
1.67 |
-10.1 |
-1.26 |
0 |
|
|
447499 |
135283378 |
1 |
Cl2O2S2N3H17C20 |
A2B2C2D3E17F20 |
-2.01 |
8.05 |
-8.57 |
-0.3 |
0 |
|
|
447500 |
135283383 |
1 |
ClS2O3N4H19C23 |
AB2C3D4E19F23 |
25.32 |
5.27 |
-8.95 |
-1.1 |
0 |
|
|
447502 |
135283392 |
1 |
BrClS2N3O6H25C34 |
ABC2D3E6F25G34 |
-36.88 |
4.74 |
-9.14 |
-1.77 |
0 |
|
|
447503 |
135283415 |
2 |
IC4H5 |
AB4C5 |
29.09 |
1.48 |
-8.98 |
-1.9 |
0 |
|
|
447504 |
135283423 |
1 |
ClN2S2O3H23C25 |
AB2C2D3E23F25 |
-29.54 |
2.01 |
-9.16 |
-0.93 |
0 |
|
|
447505 |
135283432 |
1 |
ClSN4O4C29H29 |
ABC4D4E29F29 |
-71.3 |
3.21 |
-8.65 |
-0.99 |
0 |
|
|
447506 |
135283442 |
1 |
BrClN2O2S2H18C21 |
ABC2D2E2F18G21 |
-10.37 |
6.41 |
-8.49 |
-0.31 |
0 |
|
|
447507 |
135283450 |
1 |
ClSO2N3H12C17 |
ABC2D3E12F17 |
23.68 |
2.9 |
-9.41 |
-1.17 |
0 |
|
|
447508 |
135283457 |
1 |
ClSN3O3H26C27 |
ABC3D3E26F27 |
-14.45 |
10.31 |
-8.1 |
-0.49 |
0 |
|
|
447509 |
135283465 |
1 |
FO3N4C20H23 |
AB3C4D20E23 |
-122.59 |
3.3 |
-9.98 |
-1.52 |
0 |
|
|
447510 |
135283468 |
1 |
FSN2O2C22H23 |
ABC2D2E22F23 |
-75.22 |
5.48 |
-8.86 |
-0.75 |
0 |
|
|
447511 |
135283479 |
1 |
ClSN2O3H15C17 |
ABC2D3E15F17 |
-51.48 |
4.27 |
-9.01 |
-0.78 |
0 |