List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
338020 |
127258651 |
1 |
NO3C11H21 |
AB3C11D21 |
-167.22 |
2.0 |
-9.81 |
0.55 |
0 |
|
|
338021 |
127258652 |
1 |
NO3C14H17 |
AB3C14D17 |
-104.14 |
3.57 |
-9.7 |
-0.46 |
0 |
|
|
338022 |
127258653 |
1 |
NO3C17H17 |
AB3C17D17 |
-75.34 |
4.58 |
-9.6 |
-0.18 |
0 |
|
|
338023 |
127258654 |
1 |
NO3C11H21 |
AB3C11D21 |
-168.72 |
1.66 |
-9.82 |
0.53 |
0 |
|
|
338024 |
127258655 |
1 |
NO3C15H21 |
AB3C15D21 |
-131.25 |
1.48 |
-9.32 |
0.41 |
0 |
|
|
338025 |
127258656 |
1 |
N2O3C10H18 |
A2B3C10D18 |
-158.75 |
5.1 |
-9.59 |
0.75 |
0 |
|
|
338026 |
127258657 |
1 |
N2O3C15H20 |
A2B3C15D20 |
-119.3 |
5.38 |
-9.44 |
-0.02 |
0 |
|
|
338027 |
127258658 |
1 |
NO3C9H17 |
AB3C9D17 |
-157.67 |
1.91 |
-9.86 |
0.51 |
0 |
|
|
338028 |
127258659 |
1 |
NO4H15C16 |
AB4C15D16 |
-114.15 |
5.23 |
-9.61 |
-1.04 |
0 |
|
|
338029 |
127258660 |
1 |
NO3C11H23 |
AB3C11D23 |
-181.27 |
1.98 |
-9.44 |
1.08 |
0 |
|
|
338030 |
127258661 |
1 |
NO3C7H15 |
AB3C7D15 |
-154.13 |
3.06 |
-9.72 |
0.67 |
0 |
|
|
338031 |
127258662 |
1 |
NO3C14H21 |
AB3C14D21 |
-140.24 |
3.13 |
-9.3 |
0.42 |
0 |
|
|
338032 |
127258663 |
1 |
NO3C11H15 |
AB3C11D15 |
-116.0 |
1.84 |
-9.41 |
0.23 |
0 |
|
|
338033 |
127258664 |
1 |
NO3C7H13 |
AB3C7D13 |
-124.59 |
1.97 |
-9.86 |
0.59 |
0 |
|
|
338034 |
127258665 |
1 |
N2O2H16C17 |
A2B2C16D17 |
-21.37 |
2.32 |
-8.35 |
-0.23 |
0 |
|
|
338035 |
127258666 |
1 |
NO3C18H19 |
AB3C18D19 |
-88.03 |
4.84 |
-9.55 |
-0.5 |
0 |
|
|
338036 |
127258667 |
2 |
NOC4H8 |
ABC4D8 |
-105.99 |
0.97 |
-8.61 |
0.75 |
0 |
|
|
338037 |
127258668 |
1 |
NO2C14H19 |
AB2C14D19 |
-70.22 |
2.38 |
-9.62 |
0.03 |
0 |
|
|
338038 |
127258669 |
1 |
NO2C9H13 |
AB2C9D13 |
-56.81 |
2.21 |
-9.78 |
0.32 |
0 |
|
|
338039 |
127258670 |
1 |
NO4H9C11 |
AB4C9D11 |
-131.07 |
3.85 |
-9.31 |
-0.92 |
0 |
|
|
338040 |
127258671 |
1 |
NO4H9C11 |
AB4C9D11 |
-131.45 |
5.68 |
-9.36 |
-0.91 |
0 |
|
|
338041 |
127258672 |
1 |
NO3C18H19 |
AB3C18D19 |
-83.59 |
2.38 |
-9.35 |
-0.31 |
0 |
|
|
338042 |
127258673 |
1 |
NO2C11H13 |
AB2C11D13 |
-54.63 |
2.12 |
-9.51 |
0.24 |
0 |
|
|
338043 |
127258674 |
1 |
NO2C13H19 |
AB2C13D19 |
-98.07 |
2.1 |
-9.31 |
0.37 |
0 |
|
|
338044 |
127258675 |
1 |
NO2C15H21 |
AB2C15D21 |
-75.15 |
2.85 |
-9.67 |
-0.01 |
0 |
|
|
338045 |
127258676 |
1 |
NO2C16H23 |
AB2C16D23 |
-79.39 |
2.5 |
-9.63 |
0.02 |
0 |
|
|
338046 |
127258677 |
1 |
ClNO3C27H34 |
ABC3D27E34 |
-141.03 |
1.79 |
-8.89 |
-0.45 |
0 |
|
|
338047 |
127258678 |
1 |
NO3C17H35 |
AB3C17D35 |
-217.22 |
0.96 |
-10.44 |
0.99 |
0 |
|
|
338048 |
127258679 |
1 |
ClO3C7H13 |
AB3C7D13 |
-172.63 |
3.23 |
-10.77 |
0.15 |
0 |
|
|
338049 |
127258680 |
1 |
O4C13H18 |
A4B13C18 |
-174.64 |
2.24 |
-8.85 |
0.35 |
0 |
|
|
338050 |
127258681 |
1 |
SO6C9H18 |
AB6C9D18 |
-293.28 |
1.38 |
-10.8 |
0.1 |
0 |
|
|
338051 |
127258682 |
1 |
SO6C14H20 |
AB6C14D20 |
-257.39 |
6.43 |
-10.46 |
-0.89 |
0 |
|
|
338052 |
127258683 |
1 |
NSO7C15H19 |
ABC7D15E19 |
-278.79 |
3.52 |
-9.75 |
-0.81 |
0 |
|
|
338053 |
127258684 |
1 |
SO6C15H22 |
AB6C15D22 |
-268.29 |
6.08 |
-10.32 |
-0.68 |
0 |
|
|
338054 |
127258685 |
1 |
NSO7C16H21 |
ABC7D16E21 |
-290.57 |
5.96 |
-9.69 |
-0.84 |
0 |
|
|
338055 |
127258686 |
1 |
INO4C10H16 |
ABC4D10E16 |
-171.67 |
5.1 |
-9.29 |
-1.19 |
0 |
|
|
338056 |
127258687 |
1 |
INO4C10H16 |
ABC4D10E16 |
-178.4 |
6.59 |
-10.01 |
-1.34 |
0 |
|
|
338057 |
127258688 |
1 |
IO3C8H15 |
AB3C8D15 |
-152.83 |
2.89 |
-9.87 |
-0.89 |
0 |
|
|
338058 |
127258689 |
1 |
INO4C9H14 |
ABC4D9E14 |
-169.38 |
6.35 |
-10.09 |
-1.36 |
0 |
|
|
338059 |
127258690 |
2 |
OC7H12 |
AB7C12 |
-104.06 |
2.7 |
-9.37 |
0.6 |
0 |
|
|
338060 |
127258691 |
1 |
O3C19H22 |
A3B19C22 |
-99.97 |
2.94 |
-8.93 |
0.05 |
0 |
|
|
338061 |
127258692 |
1 |
NSO3C13H17 |
ABC3D13E17 |
-72.54 |
4.75 |
-8.62 |
-0.86 |
0 |
|
|
338062 |
127258693 |
1 |
O4C13H16 |
A4B13C16 |
-158.74 |
1.16 |
-9.41 |
-0.27 |
0 |
|
|
338063 |
127258694 |
1 |
NSO4C18H19 |
ABC4D18E19 |
-67.16 |
7.8 |
-8.86 |
-1.36 |
0 |
|
|
338064 |
127258695 |
1 |
NO3C11H17 |
AB3C11D17 |
-133.63 |
4.71 |
-9.09 |
0.34 |
0 |
|
|
338065 |
127258696 |
1 |
NO3C12H13 |
AB3C12D13 |
-89.15 |
4.53 |
-9.61 |
-0.62 |
0 |
|
|
338066 |
127258697 |
1 |
NO3C10H15 |
AB3C10D15 |
-131.41 |
4.99 |
-8.61 |
0.44 |
0 |
|
|
338067 |
127258698 |
1 |
NO4C10H13 |
AB4C10D13 |
-176.61 |
5.04 |
-9.51 |
-0.14 |
0 |
|
|
338068 |
127258699 |
1 |
N2O3C14H18 |
A2B3C14D18 |
-89.9 |
4.98 |
-8.71 |
-0.22 |
0 |
|
|
338069 |
127258700 |
1 |
SN2O3C18H18 |
AB2C3D18E18 |
-48.54 |
2.65 |
-8.49 |
-0.69 |
0 |
|
|
338070 |
127258701 |
1 |
SN3O3C13H13 |
AB3C3D13E13 |
-36.6 |
2.75 |
-9.19 |
-1.09 |
0 |
|
|
338071 |
127258702 |
1 |
NO3C12H13 |
AB3C12D13 |
-85.82 |
1.81 |
-9.37 |
-0.48 |
0 |
|
|
338072 |
127258703 |
1 |
NO4C9H15 |
AB4C9D15 |
-142.13 |
3.8 |
-9.72 |
0.2 |
0 |
|
|
338073 |
127258704 |
1 |
NO4C9H13 |
AB4C9D13 |
-113.36 |
1.97 |
-9.92 |
0.02 |
0 |
|
|
338074 |
127258705 |
1 |
NO4C9H11 |
AB4C9D11 |
-81.3 |
3.36 |
-10.14 |
0.18 |
0 |
|
|
338075 |
127258706 |
1 |
NO4C9H11 |
AB4C9D11 |
-85.03 |
2.74 |
-10.24 |
0.11 |
0 |
|
|
338076 |
127258707 |
1 |
SN2O6C12H14 |
AB2C6D12E14 |
-191.73 |
7.27 |
-9.66 |
-1.04 |
0 |
|
|
338077 |
127258708 |
1 |
NO4C14H17 |
AB4C14D17 |
-162.96 |
2.67 |
-9.57 |
-0.04 |
0 |
|
|
338078 |
127258709 |
1 |
SO4C14H18 |
AB4C14D18 |
-147.86 |
8.12 |
-8.74 |
-0.38 |
0 |
|
|
338079 |
127258710 |
1 |
NO2C24H49 |
AB2C24D49 |
-185.16 |
2.59 |
-8.64 |
0.86 |
0 |
|
|
338080 |
127258711 |
1 |
NO2C16H33 |
AB2C16D33 |
-160.17 |
2.54 |
-9.42 |
0.76 |
0 |
|
|
338081 |
127258712 |
1 |
NO2C22H45 |
AB2C22D45 |
-190.18 |
2.53 |
-9.42 |
0.76 |
0 |
|
|
338082 |
127258713 |
1 |
ClNO2C11H16 |
ABC2D11E16 |
-116.84 |
2.8 |
-8.5 |
0.3 |
0 |
|
|
338083 |
127258714 |
1 |
ClNO4C12H20 |
ABC4D12E20 |
-166.23 |
3.07 |
-10.08 |
0.19 |
0 |
|
|
338084 |
127258715 |
1 |
ClO3C8H15 |
AB3C8D15 |
-176.68 |
3.15 |
-10.39 |
0.45 |
0 |
|
|
338085 |
127258716 |
1 |
ClO3C8H15 |
AB3C8D15 |
-171.78 |
1.48 |
-10.56 |
0.51 |
0 |
|
|
338086 |
127258717 |
1 |
ClO3C8H15 |
AB3C8D15 |
-171.77 |
1.5 |
-10.57 |
0.51 |
0 |
|
|
338087 |
127258718 |
1 |
ClO3C11H21 |
AB3C11D21 |
-188.47 |
1.72 |
-10.58 |
0.54 |
0 |
|
|
338088 |
127258719 |
1 |
ClO3C12H23 |
AB3C12D23 |
-193.75 |
3.34 |
-10.52 |
0.51 |
0 |
|
|
338089 |
127258720 |
1 |
ClO3C8H13 |
AB3C8D13 |
-163.01 |
3.38 |
-10.46 |
0.44 |
0 |
|
|
338090 |
127258721 |
1 |
ClO3C10H17 |
AB3C10D17 |
-172.03 |
4.52 |
-10.26 |
0.48 |
0 |
|
|
338091 |
127258722 |
1 |
ClO3C9H15 |
AB3C9D15 |
-166.47 |
4.25 |
-10.31 |
0.48 |
0 |
|
|
338092 |
127258723 |
1 |
ClNO4C11H18 |
ABC4D11E18 |
-161.4 |
4.03 |
-10.03 |
0.3 |
0 |
|
|
338093 |
127258724 |
1 |
ClO3C18H33 |
AB3C18D33 |
-210.87 |
3.79 |
-10.15 |
0.58 |
0 |
|
|
338094 |
127258725 |
1 |
NO4C9H19 |
AB4C9D19 |
-221.47 |
2.94 |
-10.23 |
0.85 |
0 |