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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
294800 |
117497012 |
1 |
BrNO2C14H18 |
ABC2D14E18 |
-78.61 |
2.66 |
-8.8 |
-0.31 |
0 |
|
|
294801 |
117497014 |
1 |
BrNO2C14H18 |
ABC2D14E18 |
-46.72 |
4.07 |
-8.99 |
-0.21 |
0 |
|
|
294802 |
117497031 |
1 |
BrNO2C14H18 |
ABC2D14E18 |
-48.42 |
4.31 |
-8.84 |
-0.35 |
0 |
|
|
294803 |
117497038 |
1 |
BrNO2C14H18 |
ABC2D14E18 |
-43.0 |
1.75 |
-8.82 |
-0.14 |
0 |
|
|
294804 |
117497046 |
1 |
BrNO2C14H18 |
ABC2D14E18 |
-76.91 |
5.62 |
-9.1 |
-0.22 |
0 |
|
|
294805 |
117497047 |
1 |
BrNO2C14H18 |
ABC2D14E18 |
-85.08 |
5.55 |
-8.78 |
-0.22 |
0 |
|
|
294806 |
117497059 |
1 |
BrNO2C14H18 |
ABC2D14E18 |
-74.67 |
3.22 |
-7.78 |
0.0 |
0 |
|
|
294807 |
117497189 |
1 |
BrNO2C14H18 |
ABC2D14E18 |
-41.15 |
2.15 |
-8.79 |
-0.16 |
0 |
|
|
294808 |
117497328 |
1 |
BrNOC15H22 |
ABCD15E22 |
-46.37 |
1.86 |
-9.09 |
-0.2 |
0 |
|
|
294809 |
117497538 |
1 |
BrNOC15H22 |
ABCD15E22 |
-44.18 |
2.38 |
-9.17 |
-0.09 |
0 |
|
|
294810 |
117497574 |
1 |
BrNSC14H18 |
ABCD14E18 |
33.95 |
2.52 |
-8.52 |
-0.35 |
0 |
|
|
294811 |
117497606 |
1 |
N2O4H16C17 |
A2B4C16D17 |
-82.89 |
11.3 |
-8.93 |
-0.95 |
0 |
|
|
294812 |
117497641 |
2 |
FNOC8H11 |
ABCD8E11 |
-164.99 |
5.36 |
-8.74 |
-0.18 |
0 |
|
|
294813 |
117498120 |
1 |
BrO4C13H13 |
AB4C13D13 |
-124.3 |
6.39 |
-9.22 |
-0.65 |
0 |
|
|
294814 |
117498121 |
1 |
BrO4C13H13 |
AB4C13D13 |
-123.73 |
3.5 |
-8.92 |
-0.41 |
0 |
|
|
294815 |
117498172 |
1 |
BrN2O3C12H13 |
AB2C3D12E13 |
-33.46 |
6.56 |
-8.51 |
-0.31 |
0 |
|
|
294816 |
117498275 |
1 |
BrO3C14H17 |
AB3C14D17 |
-103.53 |
4.19 |
-9.14 |
-0.48 |
0 |
|
|
294817 |
117498408 |
1 |
BrO3C14H17 |
AB3C14D17 |
-113.34 |
4.51 |
-9.28 |
-0.54 |
0 |
|
|
294818 |
117498488 |
1 |
BrN2O2C13H17 |
AB2C2D13E17 |
-42.64 |
2.3 |
-8.62 |
-0.49 |
0 |
|
|
294819 |
117498515 |
1 |
BrN2O2C13H17 |
AB2C2D13E17 |
-49.17 |
2.43 |
-8.99 |
-0.23 |
0 |
|
|
294820 |
117498529 |
1 |
Cl2S2O3C10H10 |
A2B2C3D10E10 |
-101.23 |
4.58 |
-9.2 |
-1.31 |
0 |
|
|
294821 |
117498532 |
1 |
BrOSN2C12H13 |
ABCD2E12F13 |
33.89 |
1.12 |
-8.77 |
-0.7 |
0 |
|
|
294822 |
117498549 |
1 |
BrO2C15H21 |
AB2C15D21 |
-83.1 |
4.01 |
-9.28 |
-0.27 |
0 |
|
|
294823 |
117498594 |
1 |
BrON2C14H21 |
ABC2D14E21 |
-35.55 |
4.02 |
-8.59 |
0.2 |
0 |
|
|
294824 |
117498614 |
1 |
BrON2C14H21 |
ABC2D14E21 |
-15.91 |
5.35 |
-8.77 |
-0.13 |
0 |
|
|
294825 |
117498643 |
1 |
BrON2C14H21 |
ABC2D14E21 |
-37.27 |
2.46 |
-8.8 |
0.0 |
0 |
|
|
294826 |
117498710 |
1 |
FO2N3H16C17 |
AB2C3D16E17 |
-26.23 |
4.4 |
-8.48 |
-0.43 |
0 |
|
|
294827 |
117498997 |
1 |
BrNO5H8C11 |
ABC5D8E11 |
-88.61 |
2.43 |
-8.69 |
-2.2 |
0 |
|
|
294828 |
117499002 |
1 |
BrN3O4H8C10 |
AB3C4D8E10 |
-33.97 |
5.56 |
-9.0 |
-1.77 |
0 |
|
|
294829 |
117499013 |
1 |
BrNO2F3C10H11 |
ABC2D3E10F11 |
-231.32 |
5.48 |
-9.51 |
-0.67 |
0 |
|
|
294830 |
117499021 |
1 |
BrNO2F3C10H11 |
ABC2D3E10F11 |
-187.46 |
3.13 |
-9.8 |
-1.01 |
0 |
|
|
294831 |
117499043 |
1 |
BrFNO3H9C12 |
ABCD3E9F12 |
-91.82 |
5.92 |
-9.26 |
-0.93 |
0 |
|
|
294832 |
117499045 |
1 |
BrFNO3H9C12 |
ABCD3E9F12 |
-106.49 |
3.29 |
-9.05 |
-0.83 |
0 |
|
|
294833 |
117499046 |
1 |
BrFNO3H9C12 |
ABCD3E9F12 |
-105.04 |
3.72 |
-9.06 |
-0.82 |
0 |
|
|
294834 |
117499052 |
1 |
BrFO2N3H9C11 |
ABC2D3E9F11 |
-46.41 |
5.45 |
-8.72 |
-0.59 |
0 |
|
|
294835 |
117499053 |
1 |
BrFO2N3H9C11 |
ABC2D3E9F11 |
-42.08 |
4.08 |
-8.69 |
-0.8 |
0 |
|
|
294836 |
117499059 |
1 |
BrFO2N3H9C11 |
ABC2D3E9F11 |
-46.47 |
4.09 |
-8.62 |
-1.04 |
0 |
|
|
294837 |
117499067 |
1 |
BrNO4C12H12 |
ABC4D12E12 |
-96.89 |
5.36 |
-9.14 |
-0.67 |
0 |
|
|
294838 |
117499071 |
1 |
BrNO4C12H12 |
ABC4D12E12 |
-100.79 |
6.81 |
-9.21 |
-1.02 |
0 |
|
|
294839 |
117499101 |
1 |
BrN3O3C11H12 |
AB3C3D11E12 |
-18.09 |
3.97 |
-8.81 |
-0.77 |
0 |
|
|
294840 |
117499103 |
1 |
BrN3O3C11H12 |
AB3C3D11E12 |
-25.02 |
4.14 |
-8.67 |
-0.61 |
0 |
|
|
294841 |
117499154 |
1 |
BrFNO2C13H13 |
ABCD2E13F13 |
-82.86 |
2.54 |
-9.69 |
-0.74 |
0 |
|
|
294842 |
117499216 |
1 |
BrNO3C13H16 |
ABC3D13E16 |
-93.65 |
4.24 |
-9.3 |
-0.77 |
0 |
|
|
294843 |
117499217 |
1 |
BrNO3C13H16 |
ABC3D13E16 |
-96.23 |
4.53 |
-9.15 |
-0.5 |
0 |
|
|
294844 |
117499226 |
1 |
BrNO3C13H16 |
ABC3D13E16 |
-103.44 |
2.86 |
-8.52 |
-0.4 |
0 |
|
|
294845 |
117499295 |
1 |
BrNO3C13H16 |
ABC3D13E16 |
-87.1 |
4.34 |
-9.38 |
-0.51 |
0 |
|
|
294846 |
117499656 |
1 |
BrNO2C14H20 |
ABC2D14E20 |
-49.58 |
0.74 |
-9.04 |
-0.26 |
0 |
|
|
294847 |
117500086 |
1 |
SO6C14H18 |
AB6C14D18 |
-221.0 |
8.13 |
-9.63 |
-1.14 |
0 |
|
|
294848 |
117500297 |
1 |
ClSN2O3C13H15 |
ABC2D3E13F15 |
-101.6 |
3.77 |
-8.64 |
-1.21 |
0 |
|
|
294849 |
117500298 |
1 |
ClSN2O3C13H15 |
ABC2D3E13F15 |
-100.36 |
4.46 |
-8.86 |
-1.06 |
0 |
|
|
294850 |
117500302 |
1 |
ClFN2O2C15H20 |
ABC2D2E15F20 |
-108.07 |
6.35 |
-8.83 |
-0.27 |
0 |
|
|
294851 |
117500303 |
1 |
ClFN2O2C15H20 |
ABC2D2E15F20 |
-109.73 |
4.99 |
-8.82 |
-0.13 |
0 |
|
|
294852 |
117500375 |
1 |
BrFN2O3H8C11 |
ABC2D3E8F11 |
-78.67 |
2.72 |
-8.84 |
-0.85 |
0 |
|
|
294853 |
117500388 |
1 |
BrO5H11C12 |
AB5C11D12 |
-163.54 |
7.3 |
-9.53 |
-1.62 |
0 |
|
|
294854 |
117500389 |
1 |
BrO5H11C12 |
AB5C11D12 |
-164.28 |
6.11 |
-9.36 |
-1.25 |
0 |
|
|
294855 |
117500539 |
1 |
BrO4C13H15 |
AB4C13D15 |
-129.69 |
3.97 |
-9.39 |
-0.61 |
0 |
|
|
294856 |
117500866 |
1 |
BrO3C14H19 |
AB3C14D19 |
-120.92 |
4.33 |
-8.87 |
-0.23 |
0 |
|
|
294857 |
117500868 |
1 |
BrO3C14H19 |
AB3C14D19 |
-92.37 |
2.3 |
-8.54 |
-0.17 |
0 |
|
|
294858 |
117500869 |
1 |
BrO3C14H19 |
AB3C14D19 |
-92.03 |
4.8 |
-8.66 |
-0.25 |
0 |
|
|
294859 |
117500870 |
1 |
BrO3C14H19 |
AB3C14D19 |
-90.15 |
1.09 |
-8.53 |
-0.22 |
0 |
|
|
294860 |
117500871 |
1 |
BrO3C14H19 |
AB3C14D19 |
-91.04 |
2.91 |
-8.95 |
-0.4 |
0 |
|
|
294861 |
117500943 |
1 |
BrN2O2C13H19 |
AB2C2D13E19 |
-46.36 |
4.75 |
-8.84 |
-0.3 |
0 |
|
|
294862 |
117501012 |
1 |
N3O5H13C15 |
A3B5C13D15 |
-102.01 |
5.03 |
-9.35 |
-1.51 |
0 |
|
|
294863 |
117501060 |
1 |
NO2F3C16H20 |
AB2C3D16E20 |
-225.92 |
4.21 |
-9.08 |
-0.46 |
0 |
|
|
294864 |
117501082 |
1 |
NS2O5C12H13 |
AB2C5D12E13 |
-133.82 |
8.46 |
-10.18 |
-0.99 |
0 |
|
|
294865 |
117501492 |
1 |
BrNO4C12H14 |
ABC4D12E14 |
-110.58 |
4.03 |
-9.35 |
-1.24 |
0 |
|
|
294866 |
117501513 |
1 |
BrFNO2C13H15 |
ABCD2E13F15 |
-102.32 |
2.12 |
-8.91 |
-0.44 |
0 |
|
|
294867 |
117501514 |
1 |
BrFNO2C13H15 |
ABCD2E13F15 |
-102.54 |
3.79 |
-8.8 |
-0.56 |
0 |
|
|
294868 |
117501515 |
1 |
BrFNO2C13H15 |
ABCD2E13F15 |
-101.39 |
3.46 |
-8.83 |
-0.5 |
0 |
|
|
294869 |
117501532 |
1 |
BrFNO2C13H15 |
ABCD2E13F15 |
-103.03 |
2.63 |
-8.93 |
-0.42 |
0 |
|
|
294870 |
117501560 |
1 |
BrFNO2C13H15 |
ABCD2E13F15 |
-100.98 |
1.89 |
-8.96 |
-0.69 |
0 |
|
|
294871 |
117501651 |
1 |
BrNO3C13H18 |
ABC3D13E18 |
-74.57 |
4.63 |
-8.5 |
-0.38 |
0 |
|
|
294872 |
117501696 |
1 |
BrNO3C13H18 |
ABC3D13E18 |
-99.18 |
3.77 |
-9.0 |
-0.63 |
0 |
|
|
294873 |
117501720 |
1 |
BrNO3C13H18 |
ABC3D13E18 |
-99.29 |
4.31 |
-9.28 |
-0.75 |
0 |
|
|
294874 |
117501777 |
1 |
BrNO3C13H18 |
ABC3D13E18 |
-122.6 |
4.45 |
-9.61 |
-0.71 |
0 |
|
|
294875 |
117501785 |
1 |
BrNO3C13H18 |
ABC3D13E18 |
-83.54 |
3.26 |
-8.57 |
-0.16 |
0 |
|
|
294876 |
117501786 |
1 |
BrNO3C13H18 |
ABC3D13E18 |
-82.4 |
3.58 |
-8.87 |
-0.3 |
0 |
|
|
294877 |
117501798 |
1 |
BrNO3C13H18 |
ABC3D13E18 |
-70.13 |
4.72 |
-8.46 |
-0.17 |
0 |
|
|
294878 |
117501954 |
1 |
BrNO2C14H22 |
ABC2D14E22 |
-80.18 |
0.64 |
-8.31 |
0.08 |
0 |
|
|
294879 |
117502110 |
1 |
SO6C14H20 |
AB6C14D20 |
-246.82 |
12.68 |
-9.7 |
-0.98 |
0 |
|
|
294880 |
117502121 |
1 |
FO3C19H21 |
AB3C19D21 |
-149.12 |
3.44 |
-9.35 |
-0.27 |
0 |
|
|
294881 |
117502209 |
4 |
NC5H5 |
AB5C5 |
109.28 |
2.7 |
-8.07 |
-0.27 |
0 |
|
|
294882 |
117502285 |
1 |
BrClNO3H7C11 |
ABCD3E7F11 |
-43.43 |
2.54 |
-9.88 |
-1.54 |
0 |
|
|
294883 |
117502288 |
1 |
BrClON3C11H11 |
ABCD3E11F11 |
20.91 |
4.39 |
-8.8 |
-0.61 |
0 |
|
|
294884 |
117502304 |
1 |
ClF2N2O3H11C13 |
AB2C2D3E11F13 |
-157.57 |
7.85 |
-10.09 |
-1.34 |
0 |
|
|
294885 |
117502359 |
1 |
ClN2S2C14H21 |
AB2C2D14E21 |
14.38 |
5.79 |
-8.15 |
-0.18 |
0 |
|
|
294886 |
117502405 |
1 |
BrFO4H10C12 |
ABC4D10E12 |
-156.71 |
6.49 |
-9.29 |
-0.94 |
0 |
|
|
294887 |
117502407 |
1 |
BrFN2O3H10C11 |
ABC2D3E10F11 |
-141.61 |
2.77 |
-9.24 |
-0.87 |
0 |
|
|
294888 |
117502481 |
1 |
BrO5C12H13 |
AB5C12D13 |
-162.18 |
1.98 |
-8.93 |
-1.0 |
0 |
|
|
294889 |
117502492 |
1 |
BrO5C12H13 |
AB5C12D13 |
-182.38 |
1.71 |
-9.08 |
-0.7 |
0 |
|
|
294890 |
117502599 |
1 |
BrFO3C13H14 |
ABC3D13E14 |
-169.45 |
5.95 |
-9.55 |
-0.65 |
0 |
|
|
294891 |
117502600 |
1 |
BrFO3C13H14 |
ABC3D13E14 |
-167.53 |
3.36 |
-9.41 |
-0.74 |
0 |
|
|
294892 |
117502744 |
1 |
BrO4C13H17 |
AB4C13D17 |
-158.43 |
2.79 |
-8.98 |
-0.39 |
0 |
|
|
294893 |
117502771 |
1 |
BrFO2C14H18 |
ABC2D14E18 |
-143.5 |
3.09 |
-9.77 |
-0.5 |
0 |
|
|
294894 |
117502803 |
1 |
BrFON2C13H18 |
ABCD2E13F18 |
-56.52 |
3.51 |
-8.77 |
-0.56 |
0 |
|
|
294895 |
117502846 |
1 |
BrO3C14H21 |
AB3C14D21 |
-118.84 |
3.99 |
-8.89 |
-0.28 |
0 |
|
|
294896 |
117502853 |
1 |
BrO3C14H21 |
AB3C14D21 |
-122.81 |
2.2 |
-8.98 |
-0.3 |
0 |
|
|
294897 |
117502886 |
1 |
FNSO5C13H16 |
ABCD5E13F16 |
-234.1 |
6.47 |
-9.6 |
-1.14 |
0 |
|
|
294898 |
117503055 |
1 |
BrClO2C13H14 |
ABC2D13E14 |
-87.66 |
4.87 |
-9.96 |
-0.94 |
0 |
|
|
294899 |
117503061 |
1 |
BrClO2C13H14 |
ABC2D13E14 |
-72.29 |
5.15 |
-9.74 |
-0.7 |
0 |