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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
294500 |
117464972 |
1 |
BrNO3C11H14 |
ABC3D11E14 |
-76.51 |
2.77 |
-8.6 |
-0.48 |
0 |
|
|
294501 |
117465015 |
1 |
BrFNOC12H15 |
ABCDE12F15 |
-83.65 |
1.61 |
-9.28 |
-0.34 |
0 |
|
|
294502 |
117465026 |
1 |
BrFNOC12H15 |
ABCDE12F15 |
-60.98 |
3.24 |
-9.39 |
-0.58 |
0 |
|
|
294503 |
117465059 |
1 |
BrFNOC12H15 |
ABCDE12F15 |
-64.43 |
1.25 |
-8.72 |
-0.44 |
0 |
|
|
294504 |
117465086 |
1 |
BrFNOC12H15 |
ABCDE12F15 |
-82.25 |
1.19 |
-9.32 |
-0.49 |
0 |
|
|
294505 |
117465117 |
1 |
BrFNOC12H15 |
ABCDE12F15 |
-73.12 |
2.7 |
-8.91 |
-0.09 |
0 |
|
|
294506 |
117465120 |
1 |
BrFNOC12H15 |
ABCDE12F15 |
-84.56 |
6.66 |
-8.57 |
-0.16 |
0 |
|
|
294507 |
117465121 |
1 |
BrFNOC12H15 |
ABCDE12F15 |
-60.3 |
2.28 |
-9.16 |
-0.34 |
0 |
|
|
294508 |
117465134 |
1 |
BrFNOC12H15 |
ABCDE12F15 |
-67.59 |
5.23 |
-9.1 |
-0.43 |
0 |
|
|
294509 |
117465183 |
1 |
BrFNOC12H15 |
ABCDE12F15 |
-61.4 |
2.58 |
-9.49 |
-0.43 |
0 |
|
|
294510 |
117465468 |
1 |
F3O4H11C13 |
A3B4C11D13 |
-272.56 |
7.56 |
-10.65 |
-1.48 |
0 |
|
|
294511 |
117465514 |
1 |
N2O5H12C14 |
A2B5C12D14 |
-123.55 |
4.72 |
-9.2 |
-1.47 |
0 |
|
|
294512 |
117465648 |
1 |
N2O4C15H16 |
A2B4C15D16 |
-120.49 |
10.35 |
-9.95 |
-0.68 |
0 |
|
|
294513 |
117465726 |
1 |
SO6C12H16 |
AB6C12D16 |
-239.75 |
8.74 |
-9.78 |
-0.89 |
0 |
|
|
294514 |
117465775 |
1 |
FN2O2C16H17 |
AB2C2D16E17 |
-77.41 |
4.58 |
-9.4 |
-0.99 |
0 |
|
|
294515 |
117465909 |
1 |
N2O3C16H20 |
A2B3C16D20 |
-111.37 |
5.21 |
-9.01 |
-0.23 |
0 |
|
|
294516 |
117466104 |
1 |
N2O2C17H24 |
A2B2C17D24 |
-92.7 |
4.42 |
-8.67 |
0.05 |
0 |
|
|
294517 |
117466171 |
1 |
ON2C18H28 |
AB2C18D28 |
-44.67 |
3.6 |
-8.3 |
0.58 |
0 |
|
|
294518 |
117466185 |
1 |
ON2C18H28 |
AB2C18D28 |
-41.97 |
0.89 |
-8.17 |
0.71 |
0 |
|
|
294519 |
117466324 |
1 |
ClSF3O3H8C9 |
ABC3D3E8F9 |
-265.12 |
6.34 |
-9.71 |
-1.39 |
0 |
|
|
294520 |
117466338 |
1 |
ClO6C12H13 |
AB6C12D13 |
-221.13 |
4.25 |
-9.18 |
-0.82 |
0 |
|
|
294521 |
117466462 |
1 |
ClSO4C12H13 |
ABC4D12E13 |
-150.81 |
7.83 |
-9.83 |
-1.22 |
0 |
|
|
294522 |
117466501 |
1 |
ClFN2O2C13H18 |
ABC2D2E13F18 |
-102.37 |
5.84 |
-8.52 |
-0.35 |
0 |
|
|
294523 |
117466862 |
1 |
BrO4C11H13 |
AB4C11D13 |
-148.56 |
3.42 |
-8.67 |
-0.47 |
0 |
|
|
294524 |
117467064 |
1 |
BrO3C12H17 |
AB3C12D17 |
-112.59 |
2.79 |
-8.6 |
-0.08 |
0 |
|
|
294525 |
117467080 |
1 |
BrSO2C11H13 |
ABC2D11E13 |
-75.61 |
4.29 |
-8.87 |
-0.69 |
0 |
|
|
294526 |
117467377 |
1 |
N3O3C15H19 |
A3B3C15D19 |
-34.94 |
3.06 |
-8.38 |
-0.59 |
0 |
|
|
294527 |
117467415 |
1 |
N3O3C15H19 |
A3B3C15D19 |
-55.73 |
3.53 |
-8.44 |
-0.18 |
0 |
|
|
294528 |
117467513 |
1 |
NSO3C15H15 |
ABC3D15E15 |
-41.09 |
3.09 |
-8.64 |
-1.42 |
0 |
|
|
294529 |
117467594 |
1 |
NO3C17H23 |
AB3C17D23 |
-123.57 |
4.86 |
-8.56 |
-0.05 |
0 |
|
|
294530 |
117467670 |
1 |
O2N3C16H23 |
A2B3C16D23 |
-72.26 |
5.03 |
-8.55 |
-0.14 |
0 |
|
|
294531 |
117467686 |
1 |
O2N3C16H23 |
A2B3C16D23 |
-31.77 |
3.96 |
-8.32 |
0.06 |
0 |
|
|
294532 |
117467771 |
1 |
NO2C18H27 |
AB2C18D27 |
-85.87 |
1.61 |
-8.19 |
0.29 |
0 |
|
|
294533 |
117467887 |
1 |
NOC19H31 |
ABC19D31 |
-57.72 |
1.73 |
-8.77 |
0.12 |
0 |
|
|
294534 |
117467926 |
1 |
ClNF2O4H6C11 |
ABC2D4E6F11 |
-163.73 |
3.22 |
-9.85 |
-1.72 |
0 |
|
|
294535 |
117467951 |
1 |
ClFNO4C12H13 |
ABCD4E12F13 |
-197.7 |
5.85 |
-8.77 |
-0.65 |
0 |
|
|
294536 |
117467982 |
1 |
ClNO5C12H16 |
ABC5D12E16 |
-188.18 |
5.83 |
-8.59 |
-0.43 |
0 |
|
|
294537 |
117467997 |
1 |
ClO2N3H12C14 |
AB2C3D12E14 |
-21.36 |
11.97 |
-8.91 |
-0.69 |
0 |
|
|
294538 |
117468057 |
1 |
ClNOC17H20 |
ABCD17E20 |
-28.83 |
3.51 |
-9.48 |
-0.32 |
0 |
|
|
294539 |
117468270 |
1 |
BrFNO2C11H13 |
ABCD2E11F13 |
-115.96 |
2.16 |
-8.99 |
-0.61 |
0 |
|
|
294540 |
117468317 |
1 |
BrFNO2C11H13 |
ABCD2E11F13 |
-100.21 |
1.06 |
-9.12 |
-0.89 |
0 |
|
|
294541 |
117468394 |
1 |
BrFNO2C11H13 |
ABCD2E11F13 |
-96.5 |
3.2 |
-8.92 |
-0.47 |
0 |
|
|
294542 |
117468427 |
1 |
BrFNO2C11H13 |
ABCD2E11F13 |
-105.76 |
3.08 |
-8.78 |
-0.72 |
0 |
|
|
294543 |
117468668 |
1 |
BrFNOC12H17 |
ABCDE12F17 |
-77.31 |
1.51 |
-9.39 |
-0.42 |
0 |
|
|
294544 |
117468808 |
1 |
N2O5C14H14 |
A2B5C14D14 |
-157.1 |
5.36 |
-9.65 |
-1.27 |
0 |
|
|
294545 |
117468854 |
1 |
SF2O4C12H12 |
AB2C4D12E12 |
-232.18 |
7.84 |
-10.48 |
-1.09 |
0 |
|
|
294546 |
117469032 |
1 |
N2O4C15H18 |
A2B4C15D18 |
-80.91 |
2.26 |
-8.6 |
-0.73 |
0 |
|
|
294547 |
117469073 |
1 |
FO3C17H19 |
AB3C17D19 |
-129.96 |
3.67 |
-8.57 |
-0.21 |
0 |
|
|
294548 |
117469132 |
1 |
O4C17H22 |
A4B17C22 |
-148.73 |
5.85 |
-9.34 |
-0.34 |
0 |
|
|
294549 |
117469749 |
1 |
ClO3H15C16 |
AB3C15D16 |
-91.41 |
4.84 |
-9.01 |
-1.05 |
0 |
|
|
294550 |
117469903 |
1 |
BrF2N2O2H5C9 |
AB2C2D2E5F9 |
-75.54 |
8.24 |
-8.74 |
-1.58 |
0 |
|
|
294551 |
117469961 |
1 |
BrF2O2H9C11 |
AB2C2D9E11 |
-147.83 |
4.48 |
-10.23 |
-1.02 |
0 |
|
|
294552 |
117470117 |
1 |
BrFO3C11H12 |
ABC3D11E12 |
-164.3 |
6.23 |
-9.59 |
-0.66 |
0 |
|
|
294553 |
117470150 |
1 |
BrFO3C11H12 |
ABC3D11E12 |
-131.91 |
5.95 |
-8.76 |
-0.42 |
0 |
|
|
294554 |
117470155 |
1 |
BrFO3C11H12 |
ABC3D11E12 |
-130.18 |
2.46 |
-9.06 |
-0.56 |
0 |
|
|
294555 |
117470159 |
1 |
BrFO3C11H12 |
ABC3D11E12 |
-150.24 |
3.16 |
-9.01 |
-0.57 |
0 |
|
|
294556 |
117470286 |
3 |
NO2H3C4 |
AB2C3D4 |
-96.9 |
5.04 |
-10.51 |
-1.74 |
0 |
|
|
294557 |
117470334 |
1 |
NO6H13C14 |
AB6C13D14 |
-142.59 |
6.32 |
-8.85 |
-0.98 |
0 |
|
|
294558 |
117470352 |
1 |
NF3O3C13H16 |
AB3C3D13E16 |
-269.02 |
3.14 |
-9.35 |
-0.49 |
0 |
|
|
294559 |
117470385 |
1 |
NF2O2H15C16 |
AB2C2D15E16 |
-140.31 |
4.6 |
-9.38 |
-0.27 |
0 |
|
|
294560 |
117470386 |
1 |
NF2O2H15C16 |
AB2C2D15E16 |
-141.77 |
3.05 |
-9.58 |
-0.38 |
0 |
|
|
294561 |
117470433 |
1 |
N3O4C14H17 |
A3B4C14D17 |
-135.19 |
7.73 |
-9.06 |
-0.31 |
0 |
|
|
294562 |
117470439 |
1 |
N3O4C14H17 |
A3B4C14D17 |
-140.29 |
5.76 |
-9.07 |
-0.3 |
0 |
|
|
294563 |
117470444 |
1 |
N3O4C14H17 |
A3B4C14D17 |
-142.62 |
4.09 |
-9.81 |
-0.5 |
0 |
|
|
294564 |
117470455 |
1 |
N3O4C14H17 |
A3B4C14D17 |
-141.37 |
4.46 |
-9.37 |
-0.63 |
0 |
|
|
294565 |
117470767 |
1 |
NO3C17H25 |
AB3C17D25 |
-125.21 |
6.46 |
-8.92 |
-0.04 |
0 |
|
|
294566 |
117471044 |
1 |
BrClFON2H5C9 |
ABCDE2F5G9 |
-3.42 |
3.67 |
-9.46 |
-1.03 |
0 |
|
|
294567 |
117471092 |
1 |
ClNF3O3H5C11 |
ABC3D3E5F11 |
-200.52 |
3.1 |
-10.42 |
-1.96 |
0 |
|
|
294568 |
117471097 |
1 |
ClNO2F3H9C12 |
ABC2D3E9F12 |
-186.16 |
3.75 |
-9.65 |
-0.99 |
0 |
|
|
294569 |
117471107 |
1 |
ClOF3N3H9C11 |
ABC3D3E9F11 |
-141.2 |
4.37 |
-8.86 |
-0.74 |
0 |
|
|
294570 |
117471111 |
1 |
ClOF3N3H9C11 |
ABC3D3E9F11 |
-150.29 |
5.84 |
-9.21 |
-1.02 |
0 |
|
|
294571 |
117471136 |
1 |
ClFNO4C12H15 |
ABCD4E12F15 |
-198.57 |
4.03 |
-8.72 |
-0.41 |
0 |
|
|
294572 |
117471158 |
1 |
ClO2N3C14H14 |
AB2C3D14E14 |
-27.72 |
5.68 |
-8.34 |
-0.85 |
0 |
|
|
294573 |
117471299 |
1 |
ClNSO3C12H18 |
ABCD3E12F18 |
-118.14 |
4.05 |
-9.16 |
-0.78 |
0 |
|
|
294574 |
117471322 |
1 |
ClNC18H26 |
ABC18D26 |
-27.36 |
1.25 |
-8.84 |
0.08 |
0 |
|
|
294575 |
117471332 |
1 |
BrF3N3H5C9 |
AB3C3D5E9 |
-62.48 |
4.65 |
-9.22 |
-0.98 |
0 |
|
|
294576 |
117471380 |
1 |
BrFNO3C10H11 |
ABCD3E10F11 |
-159.46 |
4.52 |
-9.73 |
-1.1 |
0 |
|
|
294577 |
117471398 |
1 |
BrFNO3C10H11 |
ABCD3E10F11 |
-160.62 |
4.92 |
-9.01 |
-0.33 |
0 |
|
|
294578 |
117471581 |
1 |
BrON3H10C12 |
ABC3D10E12 |
54.52 |
4.4 |
-8.9 |
-0.61 |
0 |
|
|
294579 |
117471703 |
1 |
BrFNO2C11H15 |
ABCD2E11F15 |
-99.51 |
4.48 |
-8.6 |
-0.41 |
0 |
|
|
294580 |
117471821 |
1 |
N2O6H12C13 |
A2B6C12D13 |
-168.43 |
6.33 |
-8.96 |
-2.22 |
0 |
|
|
294581 |
117471975 |
1 |
FSO5C12H17 |
ABC5D12E17 |
-246.68 |
7.48 |
-9.59 |
-0.8 |
0 |
|
|
294582 |
117472001 |
1 |
O5C16H20 |
A5B16C20 |
-191.91 |
6.07 |
-8.16 |
-0.13 |
0 |
|
|
294583 |
117472036 |
1 |
O5C16H20 |
A5B16C20 |
-172.87 |
3.6 |
-8.75 |
-0.28 |
0 |
|
|
294584 |
117472140 |
1 |
O4C17H24 |
A4B17C24 |
-176.2 |
6.62 |
-9.13 |
-0.33 |
0 |
|
|
294585 |
117472153 |
1 |
O4C17H24 |
A4B17C24 |
-159.7 |
3.48 |
-8.91 |
-0.21 |
0 |
|
|
294586 |
117472165 |
1 |
O4C17H24 |
A4B17C24 |
-171.92 |
5.18 |
-8.37 |
0.08 |
0 |
|
|
294587 |
117472182 |
1 |
O4C17H24 |
A4B17C24 |
-148.51 |
5.07 |
-8.43 |
0.03 |
0 |
|
|
294588 |
117472238 |
1 |
N2O3C16H24 |
A2B3C16D24 |
-91.21 |
4.54 |
-8.59 |
0.08 |
0 |
|
|
294589 |
117472284 |
1 |
N2O3C16H24 |
A2B3C16D24 |
-72.91 |
5.28 |
-8.55 |
0.01 |
0 |
|
|
294590 |
117472332 |
1 |
SO3C16H20 |
AB3C16D20 |
-110.76 |
5.58 |
-8.5 |
-0.31 |
0 |
|
|
294591 |
117472357 |
1 |
FN4C16H25 |
AB4C16D25 |
-12.88 |
3.49 |
-8.42 |
0.04 |
0 |
|
|
294592 |
117472519 |
1 |
BrClFNC11H12 |
ABCDE11F12 |
-38.67 |
4.88 |
-9.57 |
-0.53 |
0 |
|
|
294593 |
117472716 |
1 |
ClON4C14H17 |
ABC4D14E17 |
16.31 |
5.15 |
-8.53 |
-0.19 |
0 |
|
|
294594 |
117472767 |
1 |
ClN2C17H25 |
AB2C17D25 |
-5.88 |
2.73 |
-8.61 |
-0.08 |
0 |
|
|
294595 |
117472967 |
1 |
BrFO3C11H14 |
ABC3D11E14 |
-180.6 |
6.36 |
-9.87 |
-0.54 |
0 |
|
|
294596 |
117473024 |
1 |
Cl2N4H10C13 |
A2B4C10D13 |
76.68 |
4.39 |
-8.85 |
-1.18 |
0 |
|
|
294597 |
117473078 |
1 |
BrN2C14H17 |
AB2C14D17 |
25.81 |
3.48 |
-8.61 |
-0.23 |
0 |
|
|
294598 |
117473105 |
1 |
BrN2C14H17 |
AB2C14D17 |
38.26 |
4.3 |
-8.25 |
-0.08 |
0 |
|
|
294599 |
117473163 |
1 |
NSO6H7C12 |
ABC6D7E12 |
-134.12 |
0.91 |
-9.59 |
-1.79 |
0 |