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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
375393 |
131500182 |
1 |
BrNOF3H7C9 |
ABCD3E7F9 |
-171.04 |
1.08 |
-9.62 |
-1.16 |
0 |
|
|
375394 |
131500183 |
1 |
NOF3C10H12 |
ABC3D10E12 |
-193.14 |
5.39 |
-9.79 |
-0.38 |
0 |
|
|
375395 |
131500185 |
1 |
N2O3C10H14 |
A2B3C10D14 |
-47.84 |
8.54 |
-10.1 |
-1.35 |
0 |
|
|
375396 |
131500186 |
1 |
NOF3C10H12 |
ABC3D10E12 |
-189.33 |
5.45 |
-9.36 |
-0.42 |
0 |
|
|
375397 |
131500193 |
1 |
NO2C11H13 |
AB2C11D13 |
-47.19 |
4.63 |
-8.87 |
-0.08 |
0 |
|
|
375398 |
131500196 |
1 |
ON2C8H8 |
AB2C8D8 |
7.45 |
3.38 |
-10.32 |
-1.05 |
0 |
|
|
375399 |
131500200 |
1 |
ON2C8H8 |
AB2C8D8 |
11.35 |
2.0 |
-9.96 |
-0.8 |
0 |
|
|
375400 |
131500202 |
1 |
ON2C8H8 |
AB2C8D8 |
38.1 |
5.24 |
-8.93 |
-0.36 |
0 |
|
|
375401 |
131500207 |
1 |
NOF4H7C9 |
ABC4D7E9 |
-215.23 |
4.6 |
-9.53 |
-1.11 |
0 |
|
|
375402 |
131500209 |
1 |
N2F3C10H13 |
A2B3C10D13 |
-144.67 |
5.07 |
-9.86 |
-0.82 |
0 |
|
|
375403 |
131500210 |
1 |
OBr2N2C10H10 |
AB2C2D10E10 |
18.99 |
3.61 |
-9.37 |
-0.8 |
0 |
|
|
375404 |
131500215 |
1 |
FNOH10C11 |
ABCD10E11 |
-37.09 |
6.11 |
-10.29 |
-1.41 |
0 |
|
|
375405 |
131500216 |
1 |
FNOH10C11 |
ABCD10E11 |
-23.59 |
2.84 |
-9.97 |
-0.57 |
0 |
|
|
375406 |
131500219 |
1 |
FNO4H6C8 |
ABC4D6E8 |
-117.6 |
1.06 |
-10.51 |
-1.82 |
0 |
|
|
375407 |
131500221 |
1 |
NO4C9H11 |
AB4C9D11 |
-80.86 |
5.85 |
-9.49 |
-1.41 |
0 |
|
|
375408 |
131500223 |
1 |
NO3C6H7 |
AB3C6D7 |
-105.79 |
3.14 |
-9.58 |
-0.89 |
0 |
|
|
375409 |
131523252 |
2 |
NOC6H9 |
ABC6D9 |
-64.31 |
1.38 |
-8.06 |
0.09 |
0 |
|
|
375410 |
131523260 |
1 |
OCl3H9C10 |
AB3C9D10 |
-51.89 |
2.42 |
-9.7 |
-0.54 |
0 |
|
|
375411 |
131529531 |
1 |
O2N3C10H13 |
A2B3C10D13 |
-62.13 |
5.36 |
-8.97 |
-0.11 |
0 |
|
|
375412 |
131529543 |
1 |
ClN3H6C9 |
AB3C6D9 |
74.66 |
2.04 |
-9.03 |
-1.44 |
0 |
|
|
375413 |
131529564 |
1 |
O2N3H9C10 |
A2B3C9D10 |
72.4 |
5.83 |
-10.12 |
-1.98 |
0 |
|
|
375414 |
131529578 |
1 |
NOF2C11H13 |
ABC2D11E13 |
-119.15 |
1.25 |
-9.04 |
-0.33 |
0 |
|
|
375415 |
131529587 |
1 |
N2O2C11H12 |
A2B2C11D12 |
-29.74 |
5.48 |
-9.22 |
-0.43 |
0 |
|
|
375416 |
131529590 |
2 |
ON2C5H5 |
AB2C5D5 |
-7.95 |
8.92 |
-9.84 |
-1.12 |
0 |
|
|
375417 |
131529593 |
1 |
BrFNH9C11 |
ABCD9E11 |
-4.88 |
1.65 |
-9.64 |
-0.58 |
0 |
|
|
375418 |
131529598 |
2 |
ON2C5H5 |
AB2C5D5 |
-3.47 |
6.34 |
-9.82 |
-1.57 |
0 |
|
|
375419 |
131529602 |
1 |
S2N3C11H15 |
A2B3C11D15 |
32.76 |
1.54 |
-8.33 |
-0.28 |
0 |
|
|
375420 |
131529606 |
1 |
BrON3H8C9 |
ABC3D8E9 |
1.3 |
2.97 |
-8.57 |
-0.48 |
0 |
|
|
375421 |
131529610 |
1 |
ION2F3H4C8 |
ABC2D3E4F8 |
-124.12 |
3.14 |
-10.14 |
-1.78 |
0 |
|
|
375422 |
131529614 |
1 |
ION2F3H4C8 |
ABC2D3E4F8 |
-122.59 |
1.43 |
-10.48 |
-2.01 |
0 |
|
|
375423 |
131529618 |
1 |
ION2F3H4C8 |
ABC2D3E4F8 |
-128.65 |
2.63 |
-10.01 |
-1.72 |
0 |
|
|
375424 |
131529622 |
1 |
ION2F3H4C8 |
ABC2D3E4F8 |
-117.77 |
4.13 |
-10.21 |
-1.88 |
0 |
|
|
375425 |
131529625 |
1 |
ION2F3H4C8 |
ABC2D3E4F8 |
-118.35 |
3.76 |
-10.3 |
-1.91 |
0 |
|
|
375426 |
131529630 |
1 |
BrFNOH9C10 |
ABCDE9F10 |
-39.12 |
1.9 |
-9.78 |
-0.78 |
0 |
|
|
375427 |
131529634 |
1 |
BrFNOH9C10 |
ABCDE9F10 |
-39.59 |
1.98 |
-9.43 |
-1.12 |
0 |
|
|
375428 |
131529638 |
1 |
ClNSO3C9H12 |
ABCD3E9F12 |
-115.94 |
5.61 |
-10.01 |
-1.29 |
0 |
|
|
375429 |
131529663 |
2 |
NOC6H7 |
ABC6D7 |
-21.98 |
3.1 |
-8.36 |
0.05 |
0 |
|
|
375430 |
131529670 |
1 |
BrOS2C7H7 |
ABC2D7E7 |
-12.03 |
2.75 |
-8.86 |
-0.54 |
0 |
|
|
375431 |
131529673 |
1 |
BrOS2C7H7 |
ABC2D7E7 |
4.82 |
4.46 |
-8.6 |
-0.46 |
0 |
|
|
375432 |
131529674 |
1 |
BrOS2C7H7 |
ABC2D7E7 |
-2.58 |
4.34 |
-8.59 |
-0.7 |
0 |
|
|
375433 |
131529676 |
1 |
BrN2C11H11 |
AB2C11D11 |
46.11 |
6.46 |
-9.55 |
-0.4 |
0 |
|
|
375434 |
131529681 |
1 |
N2F3O3H7C8 |
A2B3C3D7E8 |
-173.16 |
5.39 |
-10.29 |
-1.73 |
0 |
|
|
375435 |
131529686 |
1 |
ClNF5H7C9 |
ABC5D7E9 |
-251.74 |
2.32 |
-10.2 |
-1.15 |
0 |
|
|
375436 |
131529689 |
1 |
BrOF2N2H7C9 |
ABC2D2E7F9 |
-90.87 |
4.35 |
-9.9 |
-1.13 |
0 |
|
|
375437 |
131529692 |
1 |
NO2C13H19 |
AB2C13D19 |
-85.48 |
2.51 |
-8.91 |
0.18 |
0 |
|
|
375438 |
131529693 |
1 |
FNOC13H18 |
ABCD13E18 |
-89.56 |
2.05 |
-9.01 |
-0.02 |
0 |
|
|
375439 |
131529707 |
1 |
BrN2F3H6C9 |
AB2C3D6E9 |
-101.58 |
2.29 |
-10.36 |
-1.23 |
0 |
|
|
375440 |
131529708 |
1 |
NOC13H19 |
ABC13D19 |
-37.27 |
2.63 |
-8.84 |
0.22 |
0 |
|
|
375441 |
131529709 |
1 |
ClNOC12H12 |
ABCD12E12 |
-16.97 |
1.42 |
-9.15 |
-0.99 |
0 |
|
|
375442 |
131529710 |
1 |
N2O2C11H14 |
A2B2C11D14 |
-52.29 |
3.07 |
-9.47 |
-1.01 |
0 |
|
|
375443 |
131529712 |
1 |
N2H12C13 |
A2B12C13 |
69.56 |
5.38 |
-9.15 |
-1.2 |
0 |
|
|
375444 |
131529715 |
1 |
NO3C11H15 |
AB3C11D15 |
-126.22 |
1.44 |
-9.14 |
0.04 |
0 |
|
|
375445 |
131529748 |
1 |
BrClON2H6C8 |
ABCD2E6F8 |
8.04 |
3.39 |
-9.33 |
-0.89 |
0 |
|
|
375446 |
131529752 |
1 |
BrF2N2H7C9 |
AB2C2D7E9 |
-33.2 |
3.57 |
-9.93 |
-0.78 |
0 |
|
|
375447 |
131529753 |
1 |
BrF2N2H7C9 |
AB2C2D7E9 |
-35.18 |
3.86 |
-9.85 |
-0.77 |
0 |
|
|
375448 |
131529761 |
1 |
BrFNOH9C10 |
ABCDE9F10 |
-49.24 |
1.92 |
-9.46 |
-0.79 |
0 |
|
|
375449 |
131529765 |
1 |
ON3C12H15 |
AB3C12D15 |
15.91 |
9.16 |
-10.03 |
-0.3 |
0 |
|
|
375450 |
131529768 |
1 |
BrN2O2C11H15 |
AB2C2D11E15 |
-86.77 |
3.25 |
-8.72 |
-0.27 |
0 |
|
|
375451 |
131529772 |
1 |
NSO6C14H19 |
ABC6D14E19 |
-268.65 |
6.55 |
-9.92 |
-1.37 |
0 |
|
|
375452 |
131529776 |
2 |
NOSH3C5 |
ABCD3E5 |
7.51 |
8.47 |
-9.75 |
-1.84 |
0 |
|
|
375453 |
131529779 |
2 |
NOSH3C5 |
ABCD3E5 |
8.92 |
6.79 |
-9.46 |
-1.71 |
0 |
|
|
375454 |
131529783 |
1 |
SN2F3C10H13 |
AB2C3D10E13 |
-145.85 |
4.77 |
-8.94 |
-1.09 |
0 |
|
|
375455 |
131529787 |
2 |
NOSH3C5 |
ABCD3E5 |
7.57 |
2.35 |
-9.72 |
-1.86 |
0 |
|
|
375456 |
131529789 |
2 |
NOSH3C5 |
ABCD3E5 |
9.25 |
9.21 |
-8.82 |
-1.58 |
0 |
|
|
375457 |
131529802 |
2 |
N2C6H7 |
A2B6C7 |
78.28 |
5.39 |
-8.23 |
-0.31 |
0 |
|
|
375458 |
131529814 |
1 |
SN3C12H15 |
AB3C12D15 |
53.11 |
1.59 |
-9.2 |
-0.55 |
0 |
|
|
375459 |
131529815 |
1 |
BrON2C10H11 |
ABC2D10E11 |
-3.69 |
3.32 |
-9.23 |
-0.25 |
0 |
|
|
375460 |
131529817 |
1 |
BrON2C10H11 |
ABC2D10E11 |
11.63 |
4.13 |
-9.08 |
-0.28 |
0 |
|
|
375461 |
131529819 |
1 |
BrON2C10H11 |
ABC2D10E11 |
-1.44 |
1.85 |
-9.12 |
-0.45 |
0 |
|
|
375462 |
131529821 |
1 |
BrON2C10H11 |
ABC2D10E11 |
0.91 |
5.03 |
-9.29 |
-0.5 |
0 |
|
|
375463 |
131529824 |
1 |
BrNO2C10H10 |
ABC2D10E10 |
4.11 |
3.91 |
-9.07 |
-0.85 |
0 |
|
|
375464 |
131529825 |
1 |
BrNOH12C13 |
ABCD12E13 |
16.07 |
1.44 |
-9.43 |
-0.75 |
0 |
|
|
375465 |
131529827 |
1 |
NOF3C10H12 |
ABC3D10E12 |
-186.56 |
2.75 |
-9.89 |
-0.59 |
0 |
|
|
375466 |
131529828 |
1 |
NF2O2C10H13 |
AB2C2D10E13 |
-173.27 |
4.64 |
-8.83 |
-0.61 |
0 |
|
|
375467 |
131529829 |
1 |
NF2O2C11H13 |
AB2C2D11E13 |
-152.34 |
3.47 |
-8.78 |
-0.57 |
0 |
|
|
375468 |
131529830 |
1 |
NF3C12H14 |
AB3C12D14 |
-130.55 |
1.94 |
-9.73 |
-0.64 |
0 |
|
|
375469 |
131529841 |
1 |
BrN4H7C9 |
AB4C7D9 |
95.93 |
2.91 |
-9.34 |
-1.1 |
0 |
|
|
375470 |
131529845 |
1 |
ClF2O3H9C10 |
AB2C3D9E10 |
-216.65 |
2.0 |
-9.52 |
-0.8 |
0 |
|
|
375471 |
131529846 |
1 |
ClSO2N3H6C7 |
ABC2D3E6F7 |
-13.61 |
4.85 |
-10.92 |
-1.62 |
0 |
|
|
375472 |
131529849 |
1 |
ClSO2N3H6C7 |
ABC2D3E6F7 |
-16.43 |
3.49 |
-11.18 |
-1.64 |
0 |
|
|
375473 |
131529850 |
1 |
ClFNO2C10H11 |
ABCD2E10F11 |
-126.08 |
4.35 |
-9.46 |
-0.47 |
0 |
|
|
375474 |
131529851 |
1 |
ClSO2N3H6C7 |
ABC2D3E6F7 |
-13.76 |
5.62 |
-11.06 |
-1.76 |
0 |
|
|
375475 |
131529852 |
1 |
ClFNO2C10H11 |
ABCD2E10F11 |
-121.56 |
2.35 |
-9.52 |
-0.53 |
0 |
|
|
375476 |
131529853 |
1 |
NSO3H7C10 |
ABC3D7E10 |
2.82 |
5.56 |
-9.61 |
-1.71 |
0 |
|
|
375477 |
131529854 |
1 |
NSO3H7C10 |
ABC3D7E10 |
3.57 |
2.85 |
-9.53 |
-2.08 |
0 |
|
|
375478 |
131529855 |
1 |
NSO3H7C10 |
ABC3D7E10 |
1.31 |
5.22 |
-9.46 |
-1.99 |
0 |
|
|
375479 |
131529857 |
1 |
NSO3H7C10 |
ABC3D7E10 |
2.14 |
7.3 |
-9.58 |
-1.63 |
0 |
|
|
375480 |
131529858 |
1 |
NSO3H7C10 |
ABC3D7E10 |
0.7 |
5.23 |
-9.11 |
-2.0 |
0 |
|
|
375481 |
131529863 |
1 |
OSN2C10H10 |
ABC2D10E10 |
20.46 |
3.39 |
-8.6 |
-0.38 |
0 |
|
|
375482 |
131529867 |
1 |
BrO3H9C10 |
AB3C9D10 |
-89.96 |
3.62 |
-9.95 |
-1.29 |
0 |
|
|
375483 |
131529870 |
1 |
OSN2C12H14 |
ABC2D12E14 |
4.57 |
2.06 |
-9.33 |
-0.59 |
0 |
|
|
375484 |
131529873 |
1 |
OSN2C12H14 |
ABC2D12E14 |
16.36 |
3.37 |
-9.01 |
-0.34 |
0 |
|
|
375485 |
131529888 |
1 |
NO2C12H15 |
AB2C12D15 |
-83.24 |
2.34 |
-8.29 |
-0.22 |
0 |
|
|
375486 |
131529899 |
1 |
Cl2N2O2C9H10 |
A2B2C2D9E10 |
-75.83 |
6.46 |
-9.74 |
-0.9 |
0 |
|
|
375487 |
131529972 |
1 |
ON2C12H16 |
AB2C12D16 |
-6.69 |
4.34 |
-8.89 |
0.59 |
0 |
|
|
375488 |
131536828 |
1 |
SN4H10C11 |
AB4C10D11 |
86.39 |
6.44 |
-9.05 |
-1.06 |
0 |
|
|
375489 |
131536829 |
1 |
SN4H10C11 |
AB4C10D11 |
86.38 |
7.88 |
-9.06 |
-1.02 |
0 |
|
|
375491 |
134213680 |
1 |
SN17O17C91H115 |
AB17C17D91E115 |
-451.66 |
27.16 |
-6.68 |
-2.71 |
0 |
|
|
375493 |
134213687 |
1 |
SO21N23C91H127 |
AB21C23D91E127 |
-757.33 |
34.46 |
-8.54 |
-1.5 |
0 |
|
|
375494 |
134213688 |
1 |
SN16O21C91H110 |
AB16C21D91E110 |
-714.37 |
24.48 |
-7.13 |
-2.02 |
0 |