List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
287100 |
104231779 |
1 |
NO3H15C16 |
AB3C15D16 |
-45.41 |
5.3 |
-9.71 |
-0.89 |
0 |
|
|
287101 |
104231780 |
1 |
NO3H15C16 |
AB3C15D16 |
-48.78 |
5.94 |
-9.31 |
-0.86 |
0 |
|
|
287102 |
104231781 |
1 |
NO3H15C16 |
AB3C15D16 |
-43.56 |
5.72 |
-9.71 |
-0.89 |
0 |
|
|
287103 |
104231782 |
1 |
F2O3H14C15 |
A2B3C14D15 |
-169.47 |
1.67 |
-9.21 |
-0.8 |
0 |
|
|
287104 |
104231783 |
1 |
F2O3H14C15 |
A2B3C14D15 |
-167.23 |
0.9 |
-9.54 |
-0.73 |
0 |
|
|
287105 |
104231784 |
1 |
F2O3H14C15 |
A2B3C14D15 |
-169.21 |
4.52 |
-9.22 |
-0.68 |
0 |
|
|
287106 |
104231785 |
1 |
ClO3C17H19 |
AB3C17D19 |
-107.77 |
4.62 |
-9.03 |
-0.28 |
0 |
|
|
287107 |
104231786 |
1 |
ClO3C17H19 |
AB3C17D19 |
-110.73 |
4.47 |
-9.17 |
-0.31 |
0 |
|
|
287108 |
104231787 |
1 |
ClO3C17H19 |
AB3C17D19 |
-107.86 |
4.54 |
-9.04 |
-0.28 |
0 |
|
|
287109 |
104231788 |
1 |
BrFO3H14C15 |
ABC3D14E15 |
-121.0 |
1.38 |
-9.21 |
-0.86 |
0 |
|
|
287110 |
104231789 |
1 |
BrFO3H14C15 |
ABC3D14E15 |
-120.06 |
1.46 |
-9.41 |
-0.79 |
0 |
|
|
287111 |
104231790 |
1 |
BrFO3H14C15 |
ABC3D14E15 |
-123.96 |
4.92 |
-9.23 |
-0.67 |
0 |
|
|
287112 |
104231791 |
1 |
O4C17H20 |
A4B17C20 |
-126.65 |
3.09 |
-8.42 |
-0.19 |
0 |
|
|
287113 |
104231792 |
1 |
O4C17H20 |
A4B17C20 |
-125.13 |
2.55 |
-8.77 |
-0.04 |
0 |
|
|
287114 |
104231793 |
1 |
O4C17H20 |
A4B17C20 |
-126.79 |
3.37 |
-8.44 |
-0.15 |
0 |
|
|
287115 |
104231794 |
1 |
Cl2O3H14C15 |
A2B3C14D15 |
-95.93 |
1.43 |
-9.2 |
-0.79 |
0 |
|
|
287116 |
104231795 |
1 |
Cl2O3H14C15 |
A2B3C14D15 |
-99.03 |
3.62 |
-9.24 |
-0.66 |
0 |
|
|
287117 |
104231796 |
1 |
Cl2O3H14C15 |
A2B3C14D15 |
-99.0 |
4.06 |
-9.21 |
-0.59 |
0 |
|
|
287118 |
104231797 |
1 |
O3C17H20 |
A3B17C20 |
-101.2 |
4.04 |
-8.94 |
0.01 |
0 |
|
|
287119 |
104231798 |
1 |
O3C17H20 |
A3B17C20 |
-94.67 |
2.03 |
-8.8 |
-0.19 |
0 |
|
|
287120 |
104231799 |
1 |
O3C17H20 |
A3B17C20 |
-101.12 |
4.01 |
-8.93 |
0.01 |
0 |
|
|
287121 |
104231800 |
1 |
O3C18H22 |
A3B18C22 |
-101.11 |
4.0 |
-8.88 |
-0.05 |
0 |
|
|
287122 |
104231801 |
1 |
O3C18H22 |
A3B18C22 |
-98.02 |
3.12 |
-8.92 |
-0.15 |
0 |
|
|
287123 |
104231802 |
1 |
O3C18H22 |
A3B18C22 |
-98.08 |
3.6 |
-8.97 |
-0.14 |
0 |
|
|
287124 |
104233646 |
1 |
FOSN3C14H18 |
ABCD3E14F18 |
-26.81 |
6.83 |
-9.05 |
-0.33 |
0 |
|
|
287125 |
104233718 |
1 |
ClFOC11H14 |
ABCD11E14 |
-95.14 |
1.27 |
-9.57 |
-0.14 |
0 |
|
|
287126 |
104233719 |
1 |
BrFOC10H12 |
ABCD10E12 |
-75.15 |
1.6 |
-9.55 |
-0.35 |
0 |
|
|
287127 |
104233730 |
1 |
FNO3C13H18 |
ABC3D13E18 |
-166.65 |
6.93 |
-9.06 |
-0.42 |
0 |
|
|
287128 |
104233731 |
1 |
FNO3C15H22 |
ABC3D15E22 |
-168.34 |
4.17 |
-9.06 |
-0.09 |
0 |
|
|
287129 |
104233738 |
1 |
FNO2C13H16 |
ABC2D13E16 |
-120.39 |
4.1 |
-9.28 |
-0.26 |
0 |
|
|
287130 |
104233741 |
1 |
FON3C10H10 |
ABC3D10E10 |
-28.11 |
4.46 |
-8.64 |
-0.48 |
0 |
|
|
287131 |
104233743 |
1 |
FO4C11H13 |
AB4C11D13 |
-203.9 |
3.13 |
-9.48 |
-0.36 |
0 |
|
|
287132 |
104233744 |
1 |
FO4C14H19 |
AB4C14D19 |
-215.06 |
3.6 |
-9.45 |
-0.14 |
0 |
|
|
287133 |
104233748 |
1 |
FO4C14H19 |
AB4C14D19 |
-221.57 |
7.75 |
-9.54 |
-0.35 |
0 |
|
|
287134 |
104233751 |
1 |
ClFNSO4H9C10 |
ABCDE4F9G10 |
-170.12 |
9.61 |
-9.75 |
-1.41 |
0 |
|
|
287135 |
104233760 |
1 |
FNO2C14H18 |
ABC2D14E18 |
-101.18 |
6.44 |
-9.44 |
-0.32 |
0 |
|
|
287136 |
104233762 |
1 |
FNO2C12H14 |
ABC2D12E14 |
-94.71 |
5.14 |
-9.42 |
-0.31 |
0 |
|
|
287137 |
104233767 |
1 |
FNO2C17H20 |
ABC2D17E20 |
-87.29 |
5.49 |
-9.4 |
-0.33 |
0 |
|
|
287138 |
104233768 |
1 |
FNO2C17H26 |
ABC2D17E26 |
-139.29 |
1.97 |
-9.08 |
0.0 |
0 |
|
|
287139 |
104233779 |
1 |
FNO2C15H22 |
ABC2D15E22 |
-129.74 |
5.29 |
-9.06 |
-0.22 |
0 |
|
|
287140 |
104233780 |
1 |
FNO2C17H26 |
ABC2D17E26 |
-129.54 |
4.17 |
-8.99 |
-0.14 |
0 |
|
|
287141 |
104233784 |
1 |
FNO2C14H22 |
ABC2D14E22 |
-130.47 |
1.7 |
-9.44 |
-0.11 |
0 |
|
|
287142 |
104233787 |
1 |
FON3C14H18 |
ABC3D14E18 |
-30.74 |
4.66 |
-8.69 |
-0.26 |
0 |
|
|
287143 |
104233788 |
1 |
FON3C14H18 |
ABC3D14E18 |
-34.11 |
6.85 |
-8.69 |
-0.53 |
0 |
|
|
287144 |
104233789 |
1 |
FON3C14H16 |
ABC3D14E16 |
-6.54 |
5.57 |
-8.72 |
-0.52 |
0 |
|
|
287145 |
104233795 |
1 |
FON3C14H18 |
ABC3D14E18 |
-27.74 |
2.49 |
-8.93 |
0.03 |
0 |
|
|
287146 |
104233796 |
1 |
FON3C15H20 |
ABC3D15E20 |
-31.38 |
3.26 |
-8.78 |
0.01 |
0 |
|
|
287147 |
104233802 |
1 |
FON3C11H14 |
ABC3D11E14 |
-42.88 |
5.33 |
-8.92 |
-0.45 |
0 |
|
|
287148 |
104233803 |
1 |
FON4C15H23 |
ABC4D15E23 |
-38.49 |
4.55 |
-8.39 |
-0.22 |
0 |
|
|
287149 |
104233805 |
1 |
FON3C15H22 |
ABC3D15E22 |
-57.08 |
4.25 |
-8.43 |
-0.12 |
0 |