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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
374493 |
131330488 |
1 |
NS2O3H9C10 |
AB2C3D9E10 |
-101.08 |
2.53 |
-9.03 |
-0.71 |
0 |
|
|
374494 |
131330507 |
1 |
SN2H6C9 |
AB2C6D9 |
69.23 |
5.72 |
-8.57 |
-1.05 |
0 |
|
|
374495 |
131330511 |
1 |
F2N2H10C11 |
A2B2C10D11 |
-34.59 |
6.32 |
-9.82 |
-0.97 |
0 |
|
|
374496 |
131330517 |
2 |
FNC5H5 |
ABC5D5 |
-57.12 |
2.76 |
-9.88 |
-1.2 |
0 |
|
|
374497 |
131330528 |
1 |
ClSO2C11H11 |
ABC2D11E11 |
-62.01 |
4.26 |
-8.52 |
-0.89 |
0 |
|
|
374498 |
131330533 |
1 |
ClSO2C11H11 |
ABC2D11E11 |
-59.93 |
3.33 |
-8.53 |
-0.89 |
0 |
|
|
374499 |
131330553 |
1 |
FSO3C10H11 |
ABC3D10E11 |
-161.9 |
3.66 |
-9.38 |
-0.88 |
0 |
|
|
374500 |
131330558 |
1 |
O2F4H8C9 |
A2B4C8D9 |
-275.56 |
6.31 |
-9.89 |
-0.8 |
0 |
|
|
374501 |
131330563 |
1 |
FOSC9H11 |
ABCD9E11 |
-80.31 |
2.83 |
-8.92 |
-0.52 |
0 |
|
|
374502 |
131330564 |
1 |
O3F4H6C9 |
A3B4C6D9 |
-305.23 |
7.3 |
-10.25 |
-1.45 |
0 |
|
|
374503 |
131330580 |
1 |
ClNSO2H10C11 |
ABCD2E10F11 |
-58.02 |
1.09 |
-8.42 |
-0.98 |
0 |
|
|
374504 |
131330581 |
1 |
ClNSO2H10C11 |
ABCD2E10F11 |
-56.22 |
3.02 |
-8.41 |
-1.13 |
0 |
|
|
374505 |
131330582 |
1 |
BrClNH7C10 |
ABCD7E10 |
57.55 |
3.46 |
-9.88 |
-1.22 |
0 |
|
|
374506 |
131330594 |
1 |
ClNSO2H10C11 |
ABCD2E10F11 |
-57.86 |
1.31 |
-8.56 |
-1.15 |
0 |
|
|
374507 |
131330606 |
1 |
BrON2H9C10 |
ABC2D9E10 |
15.71 |
3.6 |
-9.84 |
-1.09 |
0 |
|
|
374508 |
131330623 |
1 |
BrF2S2H9C11 |
AB2C2D9E11 |
-63.47 |
1.85 |
-8.93 |
-1.38 |
0 |
|
|
374509 |
131330630 |
1 |
N2O3H6C7 |
A2B3C6D7 |
-36.82 |
1.5 |
-11.12 |
-1.59 |
0 |
|
|
374510 |
131330701 |
1 |
INO2C10H12 |
ABC2D10E12 |
-51.52 |
2.95 |
-8.94 |
-0.76 |
0 |
|
|
374511 |
131330707 |
1 |
NO3C12H17 |
AB3C12D17 |
-122.18 |
3.25 |
-8.86 |
-0.06 |
0 |
|
|
374512 |
131330716 |
1 |
ISO3H5C10 |
ABC3D5E10 |
-46.55 |
6.12 |
-9.65 |
-1.79 |
0 |
|
|
374513 |
131330720 |
1 |
FOSH7C11 |
ABCD7E11 |
-21.33 |
3.92 |
-9.49 |
-0.93 |
0 |
|
|
374514 |
131330728 |
1 |
O3C12H14 |
A3B12C14 |
-125.39 |
3.12 |
-9.56 |
-0.61 |
0 |
|
|
374515 |
131330731 |
1 |
O3C12H14 |
A3B12C14 |
-124.94 |
2.67 |
-8.98 |
-0.58 |
0 |
|
|
374516 |
131330747 |
1 |
F3N3H4O4C6 |
A3B3C4D4E6 |
-221.14 |
0.86 |
-9.44 |
-1.68 |
0 |
|
|
374517 |
131330761 |
1 |
BrClOSC11H12 |
ABCDE11F12 |
-30.77 |
3.89 |
-8.74 |
-1.19 |
0 |
|
|
374518 |
131330781 |
1 |
INF2H4O4C8 |
ABC2D4E4F8 |
-138.56 |
2.26 |
-10.62 |
-2.24 |
0 |
|
|
374519 |
131330787 |
1 |
N3C11H11 |
A3B11C11 |
77.63 |
3.87 |
-9.96 |
-0.83 |
0 |
|
|
374520 |
131330799 |
1 |
INF2O3H4C8 |
ABC2D3E4F8 |
-87.49 |
0.89 |
-10.27 |
-2.26 |
0 |
|
|
374521 |
131330801 |
1 |
INF2O3H6C8 |
ABC2D3E6F8 |
-99.59 |
4.8 |
-9.94 |
-1.74 |
0 |
|
|
374522 |
131330850 |
1 |
OBr2F4H6C9 |
AB2C4D6E9 |
-227.38 |
3.53 |
-10.0 |
-1.26 |
0 |
|
|
374523 |
131330855 |
1 |
BrClNF3H4C9 |
ABCD3E4F9 |
-115.49 |
2.85 |
-10.28 |
-1.49 |
0 |
|
|
374524 |
131330860 |
1 |
BrClNF3H4C9 |
ABCD3E4F9 |
-114.63 |
2.65 |
-10.28 |
-1.49 |
0 |
|
|
374525 |
131330895 |
1 |
BrOSN2H3C6 |
ABCD2E3F6 |
35.59 |
5.14 |
-10.42 |
-2.04 |
0 |
|
|
374526 |
131330898 |
1 |
OC9H16 |
AB9C16 |
-62.22 |
3.5 |
-9.73 |
0.15 |
0 |
|
|
374527 |
131330923 |
1 |
INF2O3H6C8 |
ABC2D3E6F8 |
-189.89 |
5.14 |
-9.42 |
-1.55 |
0 |
|
|
374528 |
131330954 |
1 |
N2O3C9H16 |
A2B3C9D16 |
-145.82 |
6.89 |
-9.67 |
0.43 |
0 |
|
|
374529 |
131330959 |
1 |
ON4C10H14 |
AB4C10D14 |
-9.92 |
5.72 |
-8.12 |
0.14 |
0 |
|
|
374530 |
131330971 |
1 |
BrN2S2F3H4C8 |
AB2C2D3E4F8 |
-95.29 |
4.49 |
-9.06 |
-1.4 |
0 |
|
|
374531 |
131331099 |
1 |
OSN2H6C10 |
ABC2D6E10 |
47.01 |
2.91 |
-9.49 |
-1.66 |
0 |
|
|
374532 |
131331110 |
1 |
ON2C10H10 |
AB2C10D10 |
38.74 |
1.97 |
-9.59 |
-0.34 |
0 |
|
|
374533 |
131331119 |
1 |
N4C9H10 |
A4B9C10 |
90.94 |
1.82 |
-10.25 |
-0.92 |
0 |
|
|
374534 |
131331122 |
1 |
N4C9H10 |
A4B9C10 |
58.76 |
2.59 |
-8.54 |
-0.64 |
0 |
|
|
374535 |
131331167 |
1 |
FSO3H7C10 |
ABC3D7E10 |
-130.84 |
3.61 |
-8.96 |
-1.43 |
0 |
|
|
374536 |
131331222 |
1 |
N3C11H15 |
A3B11C15 |
43.34 |
4.02 |
-8.54 |
-0.52 |
0 |
|
|
374537 |
131331229 |
1 |
NOC10H21 |
ABC10D21 |
-81.23 |
2.32 |
-9.37 |
2.76 |
0 |
|
|
374538 |
131331240 |
1 |
ON4H10C11 |
AB4C10D11 |
64.46 |
2.76 |
-8.77 |
-0.42 |
0 |
|
|
374539 |
131331254 |
1 |
ClF2N2H9C10 |
AB2C2D9E10 |
-63.36 |
4.39 |
-9.91 |
-0.68 |
0 |
|
|
374540 |
131331263 |
1 |
NO4C11H11 |
AB4C11D11 |
-68.38 |
5.81 |
-10.1 |
-1.58 |
0 |
|
|
374541 |
131331276 |
1 |
BrN2O2C11H13 |
AB2C2D11E13 |
-62.21 |
2.18 |
-9.6 |
-0.86 |
0 |
|
|
374542 |
131331278 |
1 |
BrSO2H9C11 |
ABC2D9E11 |
-46.72 |
1.76 |
-8.8 |
-0.81 |
0 |
|
|
374543 |
131331281 |
1 |
Br2F2O2H4C9 |
A2B2C2D4E9 |
-125.03 |
3.54 |
-10.3 |
-1.63 |
0 |
|
|
374544 |
131331298 |
1 |
BFN2O2C10H14 |
ABC2D2E10F14 |
-168.31 |
3.36 |
-8.73 |
-0.24 |
0 |
|
|
374545 |
131331378 |
1 |
BrNSC11H16 |
ABCD11E16 |
4.23 |
2.49 |
-8.18 |
-0.22 |
0 |
|
|
374546 |
131331389 |
1 |
N3C13H17 |
A3B13C17 |
44.37 |
3.64 |
-8.97 |
0.25 |
0 |
|
|
374547 |
131331391 |
1 |
ClN3C11H18 |
AB3C11D18 |
6.79 |
4.2 |
-9.1 |
0.59 |
0 |
|
|
374548 |
131331400 |
1 |
BrSN2C8H11 |
ABC2D8E11 |
15.95 |
4.09 |
-9.06 |
-0.42 |
0 |
|
|
374549 |
131331401 |
1 |
BrFNSH11C12 |
ABCDE11F12 |
-2.59 |
2.54 |
-8.49 |
-0.4 |
0 |
|
|
374550 |
131331431 |
1 |
SO3C12H12 |
AB3C12D12 |
-97.05 |
7.27 |
-8.67 |
-0.81 |
0 |
|
|
374551 |
131331465 |
1 |
BrOSC12H13 |
ABCD12E13 |
-17.01 |
1.49 |
-8.18 |
-0.71 |
0 |
|
|
374552 |
131331467 |
1 |
BrOSC12H13 |
ABCD12E13 |
-15.38 |
1.76 |
-8.21 |
-0.69 |
0 |
|
|
374553 |
131331472 |
1 |
BrOSC12H13 |
ABCD12E13 |
-15.11 |
2.02 |
-8.24 |
-0.51 |
0 |
|
|
374554 |
131331484 |
1 |
BrOSF3H6C10 |
ABCD3E6F10 |
-157.82 |
3.02 |
-9.32 |
-1.42 |
0 |
|
|
374555 |
131331488 |
1 |
BrOSF3H6C10 |
ABCD3E6F10 |
-162.86 |
2.79 |
-9.36 |
-1.48 |
0 |
|
|
374556 |
131331496 |
2 |
N3C4H4 |
A3B4C4 |
130.54 |
5.78 |
-10.07 |
-1.41 |
0 |
|
|
374557 |
131331502 |
1 |
OSN2H4C9 |
ABC2D4E9 |
63.26 |
4.78 |
-9.28 |
-1.82 |
0 |
|
|
374558 |
131331503 |
2 |
O2C4H7 |
A2B4C7 |
-173.35 |
4.54 |
-9.82 |
0.36 |
0 |
|
|
374559 |
131331506 |
1 |
ON2C10H10 |
AB2C10D10 |
2.44 |
3.68 |
-9.32 |
-0.02 |
0 |
|
|
374560 |
131331542 |
1 |
FINH3O3C7 |
ABCD3E3F7 |
-30.44 |
3.23 |
-10.52 |
-2.38 |
0 |
|
|
374561 |
131331546 |
1 |
FINO3H5C8 |
ABCD3E5F8 |
-43.49 |
3.89 |
-10.39 |
-2.03 |
0 |
|
|
374562 |
131331564 |
1 |
BrSO3H7C11 |
ABC3D7E11 |
-69.09 |
2.9 |
-9.2 |
-1.64 |
0 |
|
|
374563 |
131331565 |
1 |
BrSO3H7C11 |
ABC3D7E11 |
-72.04 |
6.88 |
-9.5 |
-1.52 |
0 |
|
|
374564 |
131331582 |
1 |
NOF4H9C10 |
ABC4D9E10 |
-223.04 |
4.9 |
-9.75 |
-0.9 |
0 |
|
|
374565 |
131331590 |
1 |
BrN4H5C8 |
AB4C5D8 |
118.58 |
2.91 |
-9.95 |
-1.25 |
0 |
|
|
374566 |
131331598 |
1 |
BrNO3C10H12 |
ABC3D10E12 |
-117.27 |
4.4 |
-9.72 |
-0.51 |
0 |
|
|
374567 |
131331600 |
1 |
BrN2O3C9H11 |
AB2C3D9E11 |
-108.56 |
3.35 |
-8.99 |
-0.4 |
0 |
|
|
374568 |
131331622 |
1 |
BrSF3H6C10 |
ABC3D6E10 |
-110.21 |
2.54 |
-9.23 |
-1.28 |
0 |
|
|
374569 |
131331627 |
1 |
FSO3C11H11 |
ABC3D11E11 |
-165.51 |
5.02 |
-8.94 |
-0.8 |
0 |
|
|
374570 |
131331634 |
1 |
BrON3C8H10 |
ABC3D8E10 |
-26.85 |
3.85 |
-9.2 |
-0.29 |
0 |
|
|
374571 |
131331645 |
1 |
ISO3H5C10 |
ABC3D5E10 |
-46.76 |
2.88 |
-9.53 |
-1.88 |
0 |
|
|
374572 |
131331663 |
1 |
BrNOF2C8H8 |
ABCD2E8F8 |
-128.92 |
5.27 |
-9.49 |
-0.53 |
0 |
|
|
374573 |
131331667 |
1 |
BrNOF2C8H8 |
ABCD2E8F8 |
-132.73 |
3.51 |
-8.95 |
-0.3 |
0 |
|
|
374574 |
131331673 |
1 |
BrNOF2C8H8 |
ABCD2E8F8 |
-132.56 |
5.07 |
-8.71 |
-0.42 |
0 |
|
|
374575 |
131331675 |
1 |
BrNOF2C8H8 |
ABCD2E8F8 |
-134.15 |
6.08 |
-8.79 |
-0.42 |
0 |
|
|
374576 |
131331676 |
1 |
BrNOF2C8H8 |
ABCD2E8F8 |
-135.56 |
4.76 |
-8.8 |
-0.35 |
0 |
|
|
374577 |
131331688 |
1 |
BrFN2C10H14 |
ABC2D10E14 |
-34.17 |
2.0 |
-9.48 |
-0.43 |
0 |
|
|
374578 |
131331706 |
1 |
N3H9C10 |
A3B9C10 |
73.52 |
3.04 |
-9.03 |
-0.73 |
0 |
|
|
374579 |
131331712 |
1 |
SN2O3C9H10 |
AB2C3D9E10 |
-106.23 |
1.9 |
-8.43 |
-1.07 |
0 |
|
|
374580 |
131331753 |
1 |
BrClN2C9H10 |
ABC2D9E10 |
33.28 |
3.5 |
-9.86 |
-0.79 |
0 |
|
|
374581 |
131331769 |
1 |
BrCl2F3H4C8 |
AB2C3D4E8 |
-158.31 |
1.47 |
-10.09 |
-1.35 |
0 |
|
|
374582 |
131331779 |
1 |
BrClNH3O3C6 |
ABCD3E3F6 |
-27.94 |
4.26 |
-9.86 |
-1.46 |
0 |
|
|
374583 |
131331787 |
1 |
BrClNH3O3C6 |
ABCD3E3F6 |
-28.29 |
5.27 |
-9.95 |
-1.51 |
0 |
|
|
374584 |
131331805 |
1 |
BrNCl2O3H4C8 |
ABC2D3E4F8 |
-23.79 |
3.17 |
-10.63 |
-2.06 |
0 |
|
|
374585 |
131331809 |
1 |
BrNCl2O3H4C8 |
ABC2D3E4F8 |
-26.48 |
4.43 |
-10.6 |
-1.62 |
0 |
|
|
374586 |
131331814 |
1 |
N2O3C10H10 |
A2B3C10D10 |
-68.59 |
3.24 |
-9.25 |
-1.05 |
0 |
|
|
374587 |
131331843 |
1 |
BrClFIH4C7 |
ABCDE4F7 |
-16.69 |
1.91 |
-9.99 |
-1.57 |
0 |
|
|
374588 |
131331847 |
1 |
SN3C11H19 |
AB3C11D19 |
8.29 |
7.68 |
-8.26 |
0.65 |
0 |
|
|
374589 |
131331851 |
1 |
BrClFIH4C7 |
ABCDE4F7 |
-15.55 |
1.05 |
-9.9 |
-1.56 |
0 |
|
|
374590 |
131331856 |
1 |
BrClFIH4C7 |
ABCDE4F7 |
-12.85 |
1.68 |
-9.91 |
-1.57 |
0 |
|
|
374591 |
131331875 |
1 |
FIBr2H4C7 |
ABC2D4E7 |
-4.48 |
1.68 |
-9.82 |
-1.55 |
0 |
|
|
374592 |
131331876 |
1 |
FIBr2H4C7 |
ABC2D4E7 |
-3.1 |
2.41 |
-9.84 |
-1.49 |
0 |