List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
55101 |
17389765 |
2 |
NOC6H7 |
ABC6D7 |
-74.83 |
1.85 |
-8.8 |
-0.11 |
0 |
|
|
55102 |
17389766 |
1 |
N2O3C13H16 |
A2B3C13D16 |
-111.31 |
2.63 |
-8.49 |
-0.09 |
0 |
|
|
55103 |
17389767 |
1 |
N2O3C12H14 |
A2B3C12D14 |
-107.8 |
2.23 |
-8.86 |
-0.24 |
0 |
|
|
55104 |
17389769 |
1 |
N2O2C13H16 |
A2B2C13D16 |
-81.11 |
7.48 |
-8.77 |
-0.08 |
0 |
|
|
55105 |
17389770 |
1 |
ClN2O2F3H10C12 |
AB2C2D3E10F12 |
-233.73 |
4.17 |
-9.7 |
-1.17 |
0 |
|
|
55106 |
17389772 |
1 |
ClN2O2C12H13 |
AB2C2D12E13 |
-84.74 |
2.03 |
-9.02 |
-0.39 |
0 |
|
|
55107 |
17389773 |
1 |
NO6C15H19 |
AB6C15D19 |
-221.9 |
2.7 |
-8.59 |
-1.23 |
0 |
|
|
55108 |
17389774 |
1 |
ClNO4C14H18 |
ABC4D14E18 |
-174.3 |
12.31 |
-9.59 |
-0.82 |
0 |
|
|
55109 |
17389775 |
1 |
ClNC12H16 |
ABC12D16 |
2.04 |
2.45 |
-8.79 |
0.16 |
0 |
|
|
55110 |
17389776 |
1 |
BrNO2H12C13 |
ABC2D12E13 |
-35.71 |
3.43 |
-9.31 |
-0.99 |
0 |
|
|
55111 |
17389777 |
2 |
NOH9C11 |
ABC9D11 |
14.4 |
4.31 |
-9.23 |
-1.07 |
0 |
|
|
55112 |
17389778 |
1 |
O2N3C11H11 |
A2B3C11D11 |
-11.81 |
4.65 |
-9.32 |
-1.23 |
0 |
|
|
55113 |
17389780 |
1 |
N2O2H18C21 |
A2B2C18D21 |
-8.74 |
5.77 |
-9.1 |
-0.96 |
0 |
|
|
55114 |
17389781 |
2 |
NOC6H7 |
ABC6D7 |
-49.51 |
6.21 |
-9.68 |
-0.64 |
0 |
|
|
55115 |
17389782 |
2 |
NOC7H8 |
ABC7D8 |
-33.42 |
3.52 |
-9.33 |
-1.09 |
0 |
|
|
55116 |
17389783 |
2 |
NOH11C12 |
ABC11D12 |
7.91 |
3.19 |
-9.12 |
-1.28 |
0 |
|
|
55117 |
17389784 |
1 |
ClON2C11H17 |
ABC2D11E17 |
-57.34 |
5.52 |
-9.52 |
-1.21 |
0 |
|
|
55118 |
17389785 |
1 |
ON2C11H16 |
AB2C11D16 |
-17.86 |
3.68 |
-9.48 |
-0.93 |
0 |
|
|
55119 |
17389786 |
1 |
ClON2C11H17 |
ABC2D11E17 |
-50.08 |
3.62 |
-9.51 |
-0.84 |
0 |
|
|
55120 |
17389787 |
1 |
N2O4C21H24 |
A2B4C21D24 |
-124.11 |
2.83 |
-8.29 |
-1.46 |
0 |
|
|
55121 |
17389788 |
1 |
NF5C14H16 |
AB5C14D16 |
-241.69 |
2.84 |
-9.34 |
0.0 |
0 |
|
|
55122 |
17389789 |
1 |
ClN2C13H21 |
AB2C13D21 |
-34.72 |
1.98 |
-8.31 |
0.2 |
0 |
|
|
55123 |
17389791 |
1 |
FN2O4C16H23 |
AB2C4D16E23 |
-206.05 |
1.99 |
-9.24 |
-0.91 |
0 |
|
|
55124 |
17389793 |
1 |
NO5C8H17 |
AB5C8D17 |
-230.12 |
3.55 |
-9.73 |
-1.51 |
0 |
|
|
55125 |
17389795 |
1 |
NO7C12H17 |
AB7C12D17 |
-268.04 |
3.0 |
-8.96 |
-1.15 |
0 |
|
|
55126 |
17389796 |
1 |
NO3C10H15 |
AB3C10D15 |
-107.36 |
2.5 |
-8.73 |
0.25 |
0 |
|
|
55127 |
17389797 |
1 |
ClN2O8C15H19 |
AB2C8D15E19 |
-323.56 |
2.73 |
-8.37 |
-1.5 |
0 |
|
|
55128 |
17389798 |
1 |
ClN2C11H15 |
AB2C11D15 |
7.98 |
4.44 |
-8.2 |
0.28 |
0 |
|
|
55129 |
17389799 |
1 |
ClN2O8C15H19 |
AB2C8D15E19 |
-296.34 |
4.54 |
-8.22 |
-0.76 |
0 |
|
|
55130 |
17389800 |
1 |
ClN2C11H15 |
AB2C11D15 |
7.25 |
4.71 |
-8.32 |
0.14 |
0 |
|
|
55131 |
17389801 |
1 |
N2O8C15H20 |
A2B8C15D20 |
-323.84 |
14.14 |
-9.26 |
-0.36 |
0 |
|
|
55132 |
17389802 |
1 |
ClN2O2C11H11 |
AB2C2D11E11 |
-74.21 |
2.73 |
-9.21 |
-0.53 |
0 |
|
|
55133 |
17389803 |
1 |
O2N3C17H17 |
A2B3C17D17 |
-36.75 |
6.55 |
-8.19 |
-0.36 |
0 |
|
|
55134 |
17389805 |
1 |
BrNSC8H10 |
ABCD8E10 |
24.02 |
3.82 |
-8.84 |
-0.14 |
0 |
|
|
55135 |
17389806 |
1 |
BrClNSC9H13 |
ABCDE9F13 |
-14.62 |
3.35 |
-9.1 |
-0.46 |
0 |
|
|
55136 |
17389807 |
1 |
BrNSC9H12 |
ABCD9E12 |
20.45 |
2.95 |
-8.98 |
-0.31 |
0 |
|
|
55137 |
17389808 |
1 |
NO5C14H15 |
AB5C14D15 |
-182.06 |
3.52 |
-9.71 |
-1.08 |
0 |
|
|
55138 |
17389809 |
1 |
NO6C13H19 |
AB6C13D19 |
-238.91 |
3.7 |
-8.94 |
-1.18 |
0 |
|
|
55139 |
17389811 |
1 |
NO6C18H21 |
AB6C18D21 |
-210.73 |
4.25 |
-9.01 |
-0.58 |
0 |
|
|
55140 |
17389812 |
1 |
NO2C16H19 |
AB2C16D19 |
-44.73 |
1.74 |
-8.83 |
0.1 |
0 |
|
|
55141 |
17389813 |
1 |
NO2C10H15 |
AB2C10D15 |
-71.45 |
1.38 |
-8.74 |
0.18 |
0 |
|
|
55142 |
17389814 |
1 |
ClNO3C13H20 |
ABC3D13E20 |
-128.13 |
1.95 |
-8.2 |
0.15 |
0 |
|
|
55143 |
17389815 |
1 |
N3O4C13H25 |
A3B4C13D25 |
-168.62 |
3.66 |
-8.39 |
-1.5 |
0 |
|
|
55144 |
17389816 |
1 |
N3C11H23 |
A3B11C23 |
-12.39 |
2.01 |
-8.26 |
2.47 |
0 |
|
|
55145 |
17389817 |
1 |
ClNC12H18 |
ABC12D18 |
-27.9 |
0.98 |
-9.07 |
0.26 |
0 |
|
|
55146 |
17389818 |
1 |
N3O4C15H29 |
A3B4C15D29 |
-180.44 |
1.68 |
-8.16 |
-1.33 |
0 |
|
|
55147 |
17389820 |
1 |
ClO2N3C8H8 |
AB2C3D8E8 |
-57.24 |
8.57 |
-9.23 |
-1.14 |
0 |
|
|
55148 |
17389821 |
1 |
NO3C13H19 |
AB3C13D19 |
-117.16 |
0.56 |
-9.34 |
-0.44 |
0 |
|
|
55149 |
17389823 |
1 |
ClN3C5H10 |
AB3C5D10 |
-5.23 |
7.8 |
-9.9 |
0.16 |
0 |
|
|
55150 |
17389824 |
1 |
NOC10H15 |
ABC10D15 |
-42.45 |
2.37 |
-9.05 |
0.36 |
0 |