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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
143434 |
53208323 |
1 |
FN2O2H23C25 |
AB2C2D23E25 |
-57.83 |
5.69 |
-8.72 |
-0.54 |
0 |
|
|
143435 |
53208835 |
1 |
ClN2O2H25C26 |
AB2C2D25E26 |
-24.42 |
5.33 |
-8.64 |
-0.76 |
0 |
|
|
143436 |
53208927 |
1 |
FN2O4C28H29 |
AB2C4D28E29 |
-142.98 |
1.55 |
-8.2 |
-0.74 |
0 |
|
|
143437 |
53208928 |
1 |
FSN2O2C27H27 |
ABC2D2E27F27 |
-64.09 |
3.82 |
-8.56 |
-0.79 |
0 |
|
|
143438 |
53208971 |
1 |
N2O3C26H26 |
A2B3C26D26 |
-50.26 |
4.45 |
-8.4 |
-0.59 |
0 |
|
|
143439 |
53209236 |
1 |
ClFN2O2H24C26 |
ABC2D2E24F26 |
-74.84 |
7.25 |
-8.71 |
-0.55 |
0 |
|
|
143440 |
53209289 |
1 |
N3O3C19H19 |
A3B3C19D19 |
-71.2 |
5.02 |
-9.13 |
-1.1 |
0 |
|
|
143441 |
53209432 |
1 |
O3N4C24H32 |
A3B4C24D32 |
-98.37 |
5.75 |
-7.84 |
-1.12 |
0 |
|
|
143442 |
53209646 |
1 |
ON4C27H28 |
AB4C27D28 |
36.98 |
6.29 |
-8.24 |
-0.57 |
0 |
|
|
143443 |
53209865 |
1 |
ON3C21H23 |
AB3C21D23 |
29.86 |
5.78 |
-8.29 |
-0.07 |
0 |
|
|
143444 |
53210193 |
1 |
O2N4H16C17 |
A2B4C16D17 |
21.56 |
5.61 |
-8.6 |
-0.84 |
0 |
|
|
143445 |
53210194 |
1 |
O3N4C19H20 |
A3B4C19D20 |
-35.04 |
7.08 |
-8.65 |
-0.79 |
0 |
|
|
143446 |
53210300 |
1 |
ClO2N4C19H19 |
AB2C4D19E19 |
-13.31 |
7.37 |
-8.88 |
-0.98 |
0 |
|
|
143447 |
53210302 |
1 |
O2N4C19H20 |
A2B4C19D20 |
0.77 |
6.39 |
-8.82 |
-0.91 |
0 |
|
|
143448 |
53210457 |
1 |
ClSO2N3C28H30 |
ABC2D3E28F30 |
-22.47 |
6.26 |
-8.53 |
-1.48 |
0 |
|
|
143449 |
53210829 |
1 |
ClFON3H13C18 |
ABCD3E13F18 |
16.74 |
7.16 |
-9.08 |
-1.1 |
0 |
|
|
143450 |
53210830 |
1 |
ClFON3H13C18 |
ABCD3E13F18 |
17.47 |
6.67 |
-9.03 |
-1.06 |
0 |
|
|
143451 |
53210875 |
1 |
ClOF2N3H14C19 |
ABC2D3E14F19 |
-33.14 |
4.91 |
-9.2 |
-0.97 |
0 |
|
|
143452 |
53210876 |
1 |
ClOF2N3H14C19 |
ABC2D3E14F19 |
-35.41 |
7.08 |
-9.2 |
-0.98 |
0 |
|
|
143453 |
53211016 |
1 |
BrOF3N4H12C19 |
ABC3D4E12F19 |
-84.98 |
5.99 |
-9.07 |
-1.61 |
0 |
|
|
143454 |
53211017 |
1 |
BrO3N4H17C21 |
AB3C4D17E21 |
-5.0 |
4.51 |
-8.83 |
-1.3 |
0 |
|
|
143455 |
53211018 |
1 |
BrO3N4H15C20 |
AB3C4D15E20 |
21.63 |
6.5 |
-8.17 |
-1.97 |
0 |
|
|
143456 |
53211396 |
1 |
N2O3C9H16 |
A2B3C9D16 |
-135.56 |
6.18 |
-9.23 |
-0.46 |
0 |
|
|
143457 |
53212284 |
1 |
NSO3H11C12 |
ABC3D11E12 |
-83.99 |
6.29 |
-8.97 |
-1.3 |
0 |
|
|
143458 |
53212285 |
1 |
NSO3C13H13 |
ABC3D13E13 |
-88.96 |
6.16 |
-8.97 |
-1.28 |
0 |
|
|
143459 |
53212286 |
1 |
NSO3H13C17 |
ABC3D13E17 |
-51.22 |
7.45 |
-9.08 |
-1.37 |
0 |
|
|
143460 |
53212287 |
1 |
FNSO3H12C17 |
ABCD3E12F17 |
-98.72 |
7.07 |
-9.18 |
-1.45 |
0 |
|
|
143461 |
53212288 |
1 |
NSO3H15C17 |
ABC3D15E17 |
-77.23 |
3.4 |
-9.27 |
-1.26 |
0 |
|
|
143462 |
53212635 |
1 |
N3O3C10H11 |
A3B3C10D11 |
-72.3 |
8.19 |
-9.49 |
-1.04 |
0 |
|
|
143463 |
53212636 |
1 |
N3O3C11H13 |
A3B3C11D13 |
-78.51 |
8.02 |
-9.34 |
-0.92 |
0 |
|
|
143464 |
53212801 |
1 |
O2N4C17H18 |
A2B4C17D18 |
-17.49 |
4.87 |
-8.52 |
-0.75 |
0 |
|
|
143465 |
53212948 |
1 |
ClSC8H11 |
ABC8D11 |
-8.71 |
2.33 |
-8.9 |
-0.21 |
0 |
|
|
143466 |
53213153 |
1 |
O2N3H13C14 |
A2B3C13D14 |
31.2 |
8.35 |
-9.91 |
-1.9 |
0 |
|
|
143467 |
53213154 |
1 |
O2N3H13C14 |
A2B3C13D14 |
26.13 |
5.83 |
-9.84 |
-1.6 |
0 |
|
|
143468 |
53213170 |
1 |
ClON3H10C13 |
ABC3D10E13 |
71.83 |
4.12 |
-9.69 |
-1.65 |
0 |
|
|
143469 |
53213552 |
1 |
ON3C17H21 |
AB3C17D21 |
15.79 |
5.56 |
-7.85 |
0.03 |
0 |
|
|
143470 |
53213599 |
1 |
N3O3C10H13 |
A3B3C10D13 |
-86.87 |
9.77 |
-10.04 |
-0.66 |
0 |
|
|
143471 |
53213909 |
1 |
N2O3H12C15 |
A2B3C12D15 |
-62.8 |
5.0 |
-9.1 |
-1.54 |
0 |
|
|
143472 |
53213910 |
1 |
N2O3H14C16 |
A2B3C14D16 |
-72.28 |
4.3 |
-8.84 |
-1.48 |
0 |
|
|
143473 |
53214436 |
1 |
N4C13H16 |
A4B13C16 |
32.01 |
3.45 |
-8.49 |
-0.04 |
0 |
|
|
143474 |
53214442 |
1 |
BrN4C11H11 |
AB4C11D11 |
52.61 |
1.62 |
-8.87 |
-0.53 |
0 |
|
|
143475 |
53214575 |
1 |
O3N4C15H20 |
A3B4C15D20 |
-68.4 |
5.65 |
-8.14 |
0.07 |
0 |
|
|
143476 |
53214977 |
1 |
N3O4C17H19 |
A3B4C17D19 |
-97.96 |
3.76 |
-8.91 |
-1.49 |
0 |
|
|
143477 |
53215651 |
1 |
ClN2C12H25 |
AB2C12D25 |
-42.94 |
2.33 |
-8.55 |
1.07 |
0 |
|
|
143478 |
53215666 |
1 |
N2O3C15H26 |
A2B3C15D26 |
-161.49 |
3.21 |
-8.7 |
0.27 |
0 |
|
|
143479 |
53215670 |
1 |
ON3C10H23 |
AB3C10D23 |
-52.62 |
2.07 |
-8.33 |
2.47 |
0 |
|
|
143480 |
53215761 |
1 |
N2O5H14C15 |
A2B5C14D15 |
-171.29 |
6.67 |
-9.99 |
-1.74 |
0 |
|
|
143481 |
53215835 |
1 |
ON2C11H24 |
AB2C11D24 |
-68.95 |
1.63 |
-8.83 |
2.26 |
0 |
|
|
143482 |
53215836 |
1 |
O2N3C14H17 |
A2B3C14D17 |
-26.77 |
4.62 |
-9.2 |
-0.89 |
0 |
|
|
143483 |
53215854 |
1 |
SN3O3C11H15 |
AB3C3D11E15 |
-116.94 |
6.33 |
-9.49 |
-1.01 |
0 |
|
|
143484 |
53216013 |
1 |
NSO3C11H19 |
ABC3D11E19 |
-154.81 |
5.49 |
-9.37 |
-0.42 |
0 |
|
|
143485 |
53216191 |
1 |
NC15H23 |
AB15C23 |
-16.83 |
1.08 |
-8.42 |
1.31 |
0 |
|
|
143486 |
53216192 |
1 |
NC16H25 |
AB16C25 |
-26.58 |
1.09 |
-8.38 |
1.46 |
0 |
|
|
143487 |
53216193 |
1 |
NC16H25 |
AB16C25 |
-27.15 |
1.63 |
-8.39 |
1.47 |
0 |
|
|
143488 |
53216419 |
1 |
BClFO3H11C13 |
ABCD3E11F13 |
-193.06 |
1.68 |
-9.29 |
-0.61 |
0 |
|
|
143489 |
53216863 |
1 |
BrClON2H4C7 |
ABCD2E4F7 |
-19.65 |
1.43 |
-9.19 |
-1.02 |
0 |
|
|
143490 |
53217544 |
1 |
NOC13H13 |
ABC13D13 |
-4.55 |
3.97 |
-9.16 |
-0.28 |
0 |
|
|
143491 |
53217545 |
1 |
NOC13H13 |
ABC13D13 |
-18.16 |
4.44 |
-9.15 |
-0.38 |
0 |
|
|
143492 |
53217625 |
1 |
FNO2H8C11 |
ABC2D8E11 |
-85.79 |
4.81 |
-8.79 |
-0.83 |
0 |
|
|
143493 |
53217648 |
1 |
NSO2H7C10 |
ABC2D7E10 |
-5.36 |
3.67 |
-8.97 |
-1.06 |
0 |
|
|
143494 |
53217649 |
1 |
NSO2H7C10 |
ABC2D7E10 |
-19.43 |
4.28 |
-8.86 |
-1.12 |
0 |
|
|
143495 |
53217650 |
1 |
NSO2H7C10 |
ABC2D7E10 |
-6.62 |
4.12 |
-9.35 |
-1.35 |
0 |
|
|
143496 |
53217651 |
1 |
NSO2H7C10 |
ABC2D7E10 |
-20.45 |
2.45 |
-9.4 |
-1.39 |
0 |
|
|
143497 |
53217652 |
1 |
NSO2H7C10 |
ABC2D7E10 |
-19.48 |
3.67 |
-9.04 |
-1.33 |
0 |
|
|
143498 |
53217653 |
1 |
NSO2H7C10 |
ABC2D7E10 |
-20.23 |
4.17 |
-9.25 |
-1.61 |
0 |
|
|
143499 |
53217654 |
1 |
NSO2H7C10 |
ABC2D7E10 |
-8.1 |
6.78 |
-9.08 |
-1.37 |
0 |
|
|
143500 |
53217661 |
1 |
ClNOH8C11 |
ABCD8E11 |
-5.36 |
3.86 |
-9.2 |
-0.54 |
0 |
|
|
143501 |
53217738 |
1 |
NO3H9C12 |
AB3C9D12 |
-65.83 |
7.78 |
-9.45 |
-1.15 |
0 |
|
|
143502 |
53217862 |
1 |
NOH11C15 |
ABC11D15 |
33.18 |
3.16 |
-8.63 |
-0.68 |
0 |
|
|
143503 |
53217863 |
1 |
NOH11C15 |
ABC11D15 |
19.39 |
3.92 |
-8.6 |
-0.74 |
0 |
|
|
143504 |
53217903 |
1 |
NOC15H17 |
ABC15D17 |
-23.13 |
4.77 |
-9.2 |
-0.38 |
0 |
|
|
143505 |
53218525 |
1 |
FOH11C13 |
ABC11D13 |
-53.02 |
2.79 |
-8.87 |
-0.24 |
0 |
|
|
143506 |
53218565 |
1 |
OSH12C13 |
ABC12D13 |
1.23 |
0.45 |
-8.5 |
-0.23 |
0 |
|
|
143507 |
53218566 |
1 |
OSH12C13 |
ABC12D13 |
2.92 |
3.19 |
-8.46 |
-0.33 |
0 |
|
|
143508 |
53218603 |
1 |
ClO2H9C12 |
AB2C9D12 |
-52.18 |
1.96 |
-8.92 |
-0.44 |
0 |
|
|
143509 |
53218735 |
1 |
NSO3C14H15 |
ABC3D14E15 |
-73.79 |
6.96 |
-9.25 |
-0.82 |
0 |
|
|
143510 |
53218824 |
2 |
OC7H7 |
AB7C7 |
-54.12 |
1.63 |
-8.69 |
-0.14 |
0 |
|
|
143511 |
53218942 |
1 |
OSC14H14 |
ABC14D14 |
-7.39 |
2.86 |
-8.5 |
-0.26 |
0 |
|
|
143512 |
53219094 |
1 |
NO2C16H17 |
AB2C16D17 |
-50.72 |
4.54 |
-9.14 |
-0.42 |
0 |
|
|
143513 |
53219095 |
1 |
NO2C16H17 |
AB2C16D17 |
-56.43 |
5.63 |
-8.85 |
-0.33 |
0 |
|
|
143514 |
53219352 |
1 |
FSO2H7C11 |
ABC2D7E11 |
-69.95 |
4.84 |
-9.33 |
-1.19 |
0 |
|
|
143515 |
53219614 |
1 |
FOCl2H7C12 |
ABC2D7E12 |
-60.97 |
2.64 |
-9.47 |
-0.44 |
0 |
|
|
143516 |
53220386 |
1 |
F2O2H8C13 |
A2B2C8D13 |
-119.88 |
4.75 |
-9.49 |
-0.9 |
0 |
|
|
143517 |
53220477 |
1 |
ClFO2H8C13 |
ABC2D8E13 |
-87.93 |
2.44 |
-9.6 |
-1.27 |
0 |
|
|
143518 |
53220478 |
1 |
ClFO2H8C13 |
ABC2D8E13 |
-85.59 |
4.69 |
-9.24 |
-1.27 |
0 |
|
|
143519 |
53220479 |
1 |
O2F3H7C13 |
A2B3C7D13 |
-167.04 |
4.68 |
-9.58 |
-0.88 |
0 |
|
|
143520 |
53220541 |
1 |
O2F3H9C14 |
A2B3C9D14 |
-188.03 |
6.23 |
-9.68 |
-0.96 |
0 |
|
|
143521 |
53220711 |
1 |
O3H12C13 |
A3B12C13 |
-80.57 |
2.81 |
-8.63 |
-0.28 |
0 |
|
|
143522 |
53220782 |
1 |
FO2H13C14 |
AB2C13D14 |
-98.56 |
1.23 |
-9.02 |
-0.3 |
0 |
|
|
143523 |
53220922 |
1 |
ClO3H11C13 |
AB3C11D13 |
-94.82 |
1.29 |
-8.97 |
-0.54 |
0 |
|
|
143524 |
53221090 |
1 |
ClO4H13C15 |
AB4C13D15 |
-127.65 |
3.85 |
-8.85 |
-0.96 |
0 |
|
|
143525 |
53221312 |
1 |
ClO2H13C14 |
AB2C13D14 |
-55.21 |
2.76 |
-8.86 |
-0.34 |
0 |
|
|
143526 |
53221313 |
1 |
ClO2H13C14 |
AB2C13D14 |
-53.57 |
4.79 |
-8.94 |
-0.44 |
0 |
|
|
143527 |
53221817 |
1 |
BrClOH10C13 |
ABCD10E13 |
-15.44 |
2.43 |
-9.51 |
-0.51 |
0 |
|
|
143528 |
53221818 |
1 |
BrClOH10C13 |
ABCD10E13 |
-16.22 |
3.75 |
-9.35 |
-0.66 |
0 |
|
|
143529 |
53221819 |
1 |
BrClOH10C13 |
ABCD10E13 |
-16.78 |
2.7 |
-9.48 |
-0.72 |
0 |
|
|
143530 |
53221820 |
1 |
BrClOH10C13 |
ABCD10E13 |
-16.17 |
1.87 |
-9.5 |
-0.52 |
0 |
|
|
143531 |
53222620 |
1 |
N2O2H8C13 |
A2B2C8D13 |
8.94 |
8.1 |
-10.12 |
-1.44 |
0 |
|
|
143532 |
53222621 |
1 |
N2O2H8C13 |
A2B2C8D13 |
6.51 |
5.1 |
-10.38 |
-1.56 |
0 |
|
|
143533 |
53223492 |
1 |
ClNO2H10C13 |
ABC2D10E13 |
-43.62 |
4.88 |
-9.76 |
-1.24 |
0 |