List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
292850 |
117360824 |
3 |
NC5H7 |
AB5C7 |
33.57 |
2.73 |
-8.77 |
-0.42 |
0 |
|
|
292851 |
117360920 |
1 |
NC17H25 |
AB17C25 |
-10.58 |
1.91 |
-8.78 |
0.49 |
0 |
|
|
292852 |
117360922 |
1 |
NC17H25 |
AB17C25 |
-8.46 |
0.87 |
-8.72 |
0.44 |
0 |
|
|
292853 |
117360924 |
1 |
NC17H25 |
AB17C25 |
6.91 |
1.34 |
-9.07 |
0.41 |
0 |
|
|
292854 |
117360931 |
1 |
NC17H25 |
AB17C25 |
-0.19 |
1.53 |
-9.15 |
0.46 |
0 |
|
|
292855 |
117360939 |
1 |
NC17H25 |
AB17C25 |
-14.56 |
1.34 |
-8.79 |
0.67 |
0 |
|
|
292856 |
117361133 |
1 |
ClNO3C11H14 |
ABC3D11E14 |
-99.27 |
3.08 |
-8.93 |
-0.69 |
0 |
|
|
292857 |
117361135 |
1 |
ClNO3C11H14 |
ABC3D11E14 |
-111.84 |
5.09 |
-8.53 |
-0.23 |
0 |
|
|
292858 |
117361352 |
1 |
ClFNOC12H15 |
ABCDE12F15 |
-70.0 |
2.34 |
-9.17 |
-0.36 |
0 |
|
|
292859 |
117361359 |
1 |
ClFNOC12H15 |
ABCDE12F15 |
-72.84 |
5.35 |
-8.92 |
-0.39 |
0 |
|
|
292860 |
117361493 |
1 |
ClNO2C12H18 |
ABC2D12E18 |
-65.59 |
3.55 |
-8.97 |
-0.03 |
0 |
|
|
292861 |
117361532 |
1 |
ClNO2C12H18 |
ABC2D12E18 |
-78.36 |
5.1 |
-8.64 |
-0.01 |
0 |
|
|
292862 |
117361624 |
1 |
ClFNC13H19 |
ABCD13E19 |
-70.39 |
3.29 |
-9.33 |
-0.15 |
0 |
|
|
292863 |
117361625 |
1 |
ClNOSC11H14 |
ABCDE11F14 |
-14.68 |
2.82 |
-8.63 |
-0.38 |
0 |
|
|
292864 |
117362111 |
1 |
F2O3C12H14 |
A2B3C12D14 |
-219.71 |
3.41 |
-9.21 |
-0.36 |
0 |
|
|
292865 |
117362122 |
1 |
F2O3C12H14 |
A2B3C12D14 |
-186.21 |
4.7 |
-8.95 |
-0.38 |
0 |
|
|
292866 |
117362123 |
1 |
F2O3C12H14 |
A2B3C12D14 |
-185.04 |
4.06 |
-8.95 |
-0.46 |
0 |
|
|
292867 |
117362128 |
1 |
F2O3C12H14 |
A2B3C12D14 |
-199.85 |
2.08 |
-8.64 |
-0.42 |
0 |
|
|
292868 |
117362150 |
1 |
F2O3C12H14 |
A2B3C12D14 |
-209.35 |
4.57 |
-8.98 |
-0.34 |
0 |
|
|
292869 |
117362155 |
1 |
F2O3C12H14 |
A2B3C12D14 |
-212.16 |
4.4 |
-9.08 |
-0.5 |
0 |
|
|
292870 |
117362186 |
1 |
F2N2O2C11H14 |
A2B2C2D11E14 |
-144.34 |
1.79 |
-8.84 |
-0.48 |
0 |
|
|
292871 |
117362197 |
1 |
N2O3H12C13 |
A2B3C12D13 |
-48.11 |
5.02 |
-9.55 |
-1.34 |
0 |
|
|
292872 |
117362221 |
1 |
N2O3H12C13 |
A2B3C12D13 |
-35.1 |
4.46 |
-8.85 |
-0.86 |
0 |
|
|
292873 |
117362230 |
1 |
N2O3H12C13 |
A2B3C12D13 |
-63.89 |
2.72 |
-9.24 |
-0.95 |
0 |
|
|
292874 |
117362231 |
1 |
N2O3H12C13 |
A2B3C12D13 |
-64.02 |
3.74 |
-9.23 |
-0.94 |
0 |
|
|
292875 |
117362237 |
1 |
N2O3H12C13 |
A2B3C12D13 |
-64.48 |
4.64 |
-8.69 |
-0.84 |
0 |
|
|
292876 |
117362280 |
1 |
N2O3H12C13 |
A2B3C12D13 |
-69.57 |
4.35 |
-9.12 |
-0.7 |
0 |
|
|
292877 |
117362288 |
2 |
ON2C6H6 |
AB2C6D6 |
-10.28 |
3.35 |
-8.85 |
-0.8 |
0 |
|
|
292878 |
117362317 |
2 |
ON2C6H6 |
AB2C6D6 |
20.57 |
2.2 |
-8.68 |
-0.17 |
0 |
|
|
292879 |
117362318 |
2 |
ON2C6H6 |
AB2C6D6 |
20.94 |
2.88 |
-8.43 |
-0.26 |
0 |
|
|
292880 |
117362324 |
2 |
ON2C6H6 |
AB2C6D6 |
23.74 |
13.1 |
-8.04 |
-1.22 |
0 |
|
|
292881 |
117362330 |
2 |
ON2C6H6 |
AB2C6D6 |
3.4 |
2.68 |
-9.07 |
-0.94 |
0 |
|
|
292882 |
117362346 |
2 |
ON2C6H6 |
AB2C6D6 |
13.53 |
6.98 |
-8.56 |
-0.53 |
0 |
|
|
292883 |
117362350 |
2 |
ON2C6H6 |
AB2C6D6 |
-10.03 |
4.06 |
-8.76 |
-0.41 |
0 |
|
|
292884 |
117362351 |
2 |
ON2C6H6 |
AB2C6D6 |
42.65 |
3.53 |
-9.23 |
-0.98 |
0 |
|
|
292885 |
117362392 |
1 |
SO5C10H12 |
AB5C10D12 |
-185.6 |
12.55 |
-9.75 |
-0.96 |
0 |
|
|
292886 |
117362414 |
1 |
FO4C12H17 |
AB4C12D17 |
-198.21 |
4.05 |
-8.62 |
-0.32 |
0 |
|
|
292887 |
117362416 |
1 |
FO4C12H17 |
AB4C12D17 |
-192.46 |
4.48 |
-8.61 |
-0.2 |
0 |
|
|
292888 |
117362437 |
1 |
FN4C13H13 |
AB4C13D13 |
27.68 |
4.41 |
-8.08 |
-0.07 |
0 |
|
|
292889 |
117362442 |
1 |
FN4C13H13 |
AB4C13D13 |
25.46 |
4.7 |
-8.49 |
-0.12 |
0 |
|
|
292890 |
117362464 |
1 |
FSO3C11H13 |
ABC3D11E13 |
-157.03 |
4.98 |
-9.03 |
-0.77 |
0 |
|
|
292891 |
117362485 |
1 |
F2O2C13H18 |
A2B2C13D18 |
-199.98 |
1.8 |
-9.63 |
-0.2 |
0 |
|
|
292892 |
117362532 |
1 |
O3C15H16 |
A3B15C16 |
-84.4 |
2.65 |
-8.36 |
0.11 |
0 |
|
|
292893 |
117362541 |
1 |
O3C15H16 |
A3B15C16 |
-87.56 |
3.77 |
-8.39 |
-0.39 |
0 |
|
|
292894 |
117362616 |
2 |
NOC7H8 |
ABC7D8 |
-46.2 |
2.5 |
-9.28 |
-0.35 |
0 |
|
|
292895 |
117362941 |
1 |
ON2C15H20 |
AB2C15D20 |
-22.59 |
3.02 |
-8.14 |
0.23 |
0 |
|
|
292896 |
117362942 |
1 |
ON2C15H20 |
AB2C15D20 |
-18.45 |
2.48 |
-9.09 |
-0.5 |
0 |
|
|
292897 |
117362977 |
1 |
ON2C15H20 |
AB2C15D20 |
-49.8 |
4.16 |
-8.8 |
0.0 |
0 |
|
|
292898 |
117362979 |
1 |
ON2C15H20 |
AB2C15D20 |
-46.12 |
4.44 |
-8.77 |
-0.15 |
0 |
|
|
292899 |
117362981 |
1 |
ON2C15H20 |
AB2C15D20 |
-33.5 |
2.77 |
-8.11 |
0.24 |
0 |