List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
272650 |
103750734 |
1 |
NO2C17H25 |
AB2C17D25 |
-92.68 |
5.4 |
-9.61 |
0.02 |
0 |
|
|
272651 |
103750736 |
1 |
SN2O2C11H18 |
AB2C2D11E18 |
-85.63 |
4.71 |
-9.68 |
-1.16 |
0 |
|
|
272652 |
103750752 |
1 |
FNCl2O2C13H16 |
ABC2D2E13F16 |
-151.63 |
2.62 |
-10.04 |
-1.26 |
0 |
|
|
272653 |
103750755 |
1 |
N2O3C15H20 |
A2B3C15D20 |
-95.1 |
5.15 |
-9.79 |
-0.97 |
0 |
|
|
272654 |
103750756 |
1 |
N3O3C15H23 |
A3B3C15D23 |
-137.97 |
2.83 |
-9.95 |
-0.64 |
0 |
|
|
272655 |
103750757 |
1 |
N2O3C15H20 |
A2B3C15D20 |
-83.31 |
2.1 |
-9.67 |
-0.82 |
0 |
|
|
272656 |
103750758 |
1 |
ClFNO2C13H17 |
ABCD2E13F17 |
-147.08 |
4.75 |
-10.07 |
-1.05 |
0 |
|
|
272657 |
103750759 |
3 |
NOC5H7 |
ABC5D7 |
-77.26 |
3.1 |
-10.19 |
-1.28 |
0 |
|
|
272658 |
103750760 |
2 |
NOC8H10 |
ABC8D10 |
-63.65 |
5.49 |
-9.68 |
-1.2 |
0 |
|
|
272659 |
103750766 |
2 |
NOC6H10 |
ABC6D10 |
-84.16 |
5.09 |
-10.19 |
0.33 |
0 |
|
|
272660 |
103750785 |
1 |
N2O4C15H20 |
A2B4C15D20 |
-83.1 |
5.5 |
-10.15 |
-1.77 |
0 |
|
|
272661 |
103750786 |
1 |
NO2C17H29 |
AB2C17D29 |
-148.21 |
5.79 |
-9.82 |
1.04 |
0 |
|
|
272662 |
103750787 |
1 |
O2N3C12H21 |
A2B3C12D21 |
-85.11 |
3.77 |
-9.56 |
0.22 |
0 |
|
|
272663 |
103750788 |
1 |
BrNO2C13H18 |
ABC2D13E18 |
-88.3 |
5.21 |
-9.97 |
-0.86 |
0 |
|
|
272664 |
103750799 |
1 |
ClNO2C14H20 |
ABC2D14E20 |
-110.4 |
3.83 |
-9.77 |
-0.38 |
0 |
|
|
272665 |
103750803 |
1 |
SN2O3C14H18 |
AB2C3D14E18 |
-80.8 |
4.43 |
-9.39 |
-1.36 |
0 |
|
|
272666 |
103750810 |
1 |
NO3C15H23 |
AB3C15D23 |
-133.84 |
4.45 |
-9.73 |
-0.32 |
0 |
|
|
272667 |
103750813 |
2 |
NO2C7H10 |
AB2C7D10 |
-104.06 |
2.51 |
-10.11 |
-1.54 |
0 |
|
|
272668 |
103750814 |
2 |
NOSC7H9 |
ABCD7E9 |
-48.59 |
6.23 |
-9.42 |
-1.49 |
0 |
|
|
272669 |
103750816 |
1 |
ClNO3C15H22 |
ABC3D15E22 |
-144.83 |
6.03 |
-9.8 |
-0.6 |
0 |
|
|
272670 |
103750817 |
1 |
NF3O3C10H18 |
AB3C3D10E18 |
-319.86 |
5.37 |
-10.05 |
0.27 |
0 |
|
|
272671 |
103750994 |
2 |
NOSC7H9 |
ABCD7E9 |
-43.76 |
4.59 |
-9.22 |
-1.28 |
0 |
|
|
272672 |
103751049 |
1 |
ClNO3C15H22 |
ABC3D15E22 |
-148.35 |
4.39 |
-9.25 |
-0.17 |
0 |
|
|
272673 |
103751051 |
1 |
ClNSO2C14H20 |
ABCD2E14F20 |
-98.39 |
5.47 |
-8.71 |
-0.53 |
0 |
|
|
272674 |
103751052 |
1 |
BrNO3C15H22 |
ABC3D15E22 |
-135.5 |
3.25 |
-9.34 |
-0.44 |
0 |
|
|
272675 |
103751053 |
1 |
NSCl2O2C11H15 |
ABC2D2E11F15 |
-88.93 |
5.32 |
-9.77 |
-1.29 |
0 |
|
|
272676 |
103751054 |
1 |
NO3C17H23 |
AB3C17D23 |
-119.53 |
4.64 |
-8.85 |
-0.64 |
0 |
|
|
272677 |
103751055 |
1 |
SN2O3C15H20 |
AB2C3D15E20 |
-94.87 |
4.58 |
-9.26 |
-1.18 |
0 |
|
|
272678 |
103751075 |
1 |
NSO2C16H25 |
ABC2D16E25 |
-111.7 |
2.98 |
-8.98 |
-0.42 |
0 |
|
|
272679 |
103751149 |
1 |
ClNO2C15H20 |
ABC2D15E20 |
-88.49 |
4.75 |
-9.56 |
-0.99 |
0 |
|
|
272680 |
103751202 |
1 |
SN2O2C11H16 |
AB2C2D11E16 |
-77.05 |
3.92 |
-9.63 |
-1.09 |
0 |
|
|
272681 |
103751290 |
1 |
N2O3C12H18 |
A2B3C12D18 |
-103.5 |
6.12 |
-9.93 |
-0.37 |
0 |
|
|
272682 |
103751458 |
1 |
NSO2C15H17 |
ABC2D15E17 |
-61.56 |
3.49 |
-8.99 |
-1.05 |
0 |
|
|
272683 |
103751461 |
1 |
NO2C15H21 |
AB2C15D21 |
-103.24 |
5.87 |
-9.53 |
-0.2 |
0 |
|
|
272684 |
103751494 |
1 |
NO2C17H19 |
AB2C17D19 |
-64.57 |
3.6 |
-9.03 |
-0.66 |
0 |
|
|
272685 |
103751623 |
1 |
FN2O4C13H15 |
AB2C4D13E15 |
-129.3 |
6.94 |
-10.12 |
-1.82 |
0 |
|
|
272686 |
103751698 |
1 |
BrON2H13C14 |
ABC2D13E14 |
5.09 |
4.71 |
-9.81 |
-0.89 |
0 |
|
|
272687 |
103751699 |
1 |
BrON2H13C14 |
ABC2D13E14 |
1.13 |
2.94 |
-9.63 |
-1.06 |
0 |
|
|
272688 |
103751742 |
1 |
BrClON2H10C13 |
ABCD2E10F13 |
-3.87 |
4.67 |
-9.1 |
-1.17 |
0 |
|
|
272689 |
103751826 |
1 |
BrN2O3H13C14 |
AB2C3D13E14 |
-63.92 |
3.4 |
-8.38 |
-0.96 |
0 |
|
|
272690 |
103751827 |
1 |
BrN2O3H13C14 |
AB2C3D13E14 |
-67.78 |
3.91 |
-8.44 |
-1.21 |
0 |
|
|
272691 |
103751828 |
1 |
BrON2C11H15 |
ABC2D11E15 |
-37.16 |
4.89 |
-10.13 |
-0.86 |
0 |
|
|
272692 |
103751829 |
1 |
BrON2C11H15 |
ABC2D11E15 |
-41.07 |
3.02 |
-9.71 |
-1.03 |
0 |
|
|
272693 |
103751836 |
1 |
BrN2O2C12H15 |
AB2C2D12E15 |
-83.85 |
2.68 |
-9.86 |
-1.14 |
0 |
|
|
272694 |
103751837 |
1 |
BrON3H12C13 |
ABC3D12E13 |
13.88 |
5.98 |
-10.01 |
-0.79 |
0 |
|
|
272695 |
103751839 |
1 |
BrO2N3H10C12 |
AB2C3D10E12 |
-19.87 |
3.32 |
-8.72 |
-1.33 |
0 |
|
|
272696 |
103751859 |
1 |
BrN2O2C11H15 |
AB2C2D11E15 |
-65.75 |
6.11 |
-9.89 |
-0.88 |
0 |
|
|
272697 |
103751862 |
1 |
BrON2C9H11 |
ABC2D9E11 |
-24.77 |
4.9 |
-10.16 |
-0.89 |
0 |
|
|
272698 |
103751883 |
1 |
BrON2C13H17 |
ABC2D13E17 |
-11.15 |
3.76 |
-9.36 |
-0.94 |
0 |
|
|
272699 |
103752013 |
1 |
BrON4C14H21 |
ABC4D14E21 |
-17.94 |
4.38 |
-8.47 |
-0.88 |
0 |
|
|
272700 |
103752014 |
1 |
BrON4C14H21 |
ABC4D14E21 |
-21.79 |
2.75 |
-8.35 |
-1.04 |
0 |
|
|
272701 |
103752034 |
1 |
BrON4C12H13 |
ABC4D12E13 |
19.45 |
5.93 |
-8.92 |
-1.37 |
0 |
|
|
272702 |
103752097 |
1 |
BrFON2H12C14 |
ABCD2E12F14 |
-44.88 |
2.77 |
-9.59 |
-0.92 |
0 |
|
|
272703 |
103752182 |
1 |
BrN2O2F3H8C13 |
AB2C2D3E8F13 |
-189.89 |
1.08 |
-9.59 |
-1.35 |
0 |
|
|
272704 |
103752251 |
1 |
BrON5H12C14 |
ABC5D12E14 |
58.05 |
4.78 |
-9.44 |
-1.02 |
0 |
|
|
272705 |
103752254 |
1 |
BrFO2N3H11C14 |
ABC2D3E11F14 |
-83.5 |
3.08 |
-8.81 |
-1.18 |
0 |
|
|
272706 |
103752258 |
1 |
BrON2H15C16 |
ABC2D15E16 |
22.69 |
2.86 |
-9.73 |
-1.07 |
0 |
|
|
272707 |
103752319 |
1 |
BrON4H11C15 |
ABC4D11E15 |
52.19 |
2.59 |
-9.34 |
-1.4 |
0 |
|
|
272708 |
103752320 |
1 |
BrON2C9H11 |
ABC2D9E11 |
-18.93 |
5.03 |
-9.79 |
-0.78 |
0 |
|
|
272709 |
103752443 |
1 |
BrN3O3C14H18 |
AB3C3D14E18 |
-117.47 |
4.93 |
-9.8 |
-0.76 |
0 |
|
|
272710 |
103752543 |
1 |
BrON3C15H22 |
ABC3D15E22 |
-35.19 |
4.55 |
-8.72 |
-0.9 |
0 |
|
|
272711 |
103752603 |
1 |
BrN2O2C12H15 |
AB2C2D12E15 |
-62.35 |
3.5 |
-9.72 |
-0.85 |
0 |
|
|
272712 |
103752630 |
1 |
BrN2O3C11H13 |
AB2C3D11E13 |
-116.35 |
4.56 |
-10.05 |
-1.2 |
0 |
|
|
272713 |
103752676 |
1 |
BrON2C15H15 |
ABC2D15E15 |
-3.31 |
4.93 |
-9.52 |
-0.82 |
0 |
|
|
272714 |
103752677 |
1 |
BrON2C15H15 |
ABC2D15E15 |
-7.48 |
3.59 |
-9.41 |
-1.0 |
0 |
|
|
272715 |
103752678 |
1 |
BrON2C14H17 |
ABC2D14E17 |
-30.09 |
4.0 |
-9.31 |
-0.9 |
0 |
|
|
272716 |
103752685 |
1 |
BrON2C16H17 |
ABC2D16E17 |
-13.7 |
3.46 |
-9.33 |
-1.02 |
0 |
|
|
272717 |
103752947 |
1 |
N2O3C17H26 |
A2B3C17D26 |
-142.02 |
3.77 |
-8.94 |
-0.05 |
0 |
|
|
272718 |
103752976 |
2 |
BrNC7H10 |
ABC7D10 |
41.75 |
4.72 |
-8.9 |
-0.47 |
0 |
|
|
272719 |
103752979 |
1 |
Br2N3C13H15 |
A2B3C13D15 |
64.54 |
3.58 |
-9.15 |
-0.6 |
0 |
|
|
272720 |
103753080 |
1 |
N3C14H25 |
A3B14C25 |
3.75 |
1.73 |
-8.7 |
0.96 |
0 |
|
|
272721 |
103753135 |
1 |
ON3C12H21 |
AB3C12D21 |
-25.86 |
4.49 |
-9.37 |
0.83 |
0 |
|
|
272722 |
103753138 |
1 |
BrNOSC12H18 |
ABCDE12F18 |
-36.51 |
2.72 |
-9.18 |
-0.5 |
0 |
|
|
272723 |
103753163 |
1 |
OSN2C12H20 |
ABC2D12E20 |
-39.52 |
2.71 |
-9.15 |
-0.43 |
0 |
|
|
272724 |
103753300 |
1 |
IN2O3C15H19 |
AB2C3D15E19 |
-33.75 |
5.72 |
-10.02 |
-1.85 |
0 |