List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
445695 |
135268971 |
1 |
NC13H17 |
AB13C17 |
59.75 |
1.68 |
-8.89 |
-0.11 |
0 |
|
|
445696 |
135268973 |
1 |
O3N6H24C26 |
A3B6C24D26 |
28.57 |
4.11 |
-8.64 |
-0.92 |
0 |
|
|
445697 |
135268974 |
1 |
NSO2C7H11 |
ABC2D7E11 |
-85.33 |
2.27 |
-9.49 |
-0.4 |
0 |
|
|
445698 |
135268984 |
1 |
O3N4C12H18 |
A3B4C12D18 |
-119.46 |
5.16 |
-9.02 |
-0.46 |
0 |
|
|
445699 |
135268985 |
1 |
FO4N6H25C26 |
AB4C6D25E26 |
-88.83 |
8.23 |
-8.69 |
-0.97 |
0 |
|
|
445700 |
135268986 |
1 |
FOSN5H22C25 |
ABCD5E22F25 |
76.08 |
5.16 |
-8.63 |
-1.05 |
0 |
|
|
445701 |
135268987 |
1 |
FO2N5H24C26 |
AB2C5D24E26 |
0.12 |
2.56 |
-8.63 |
-1.04 |
0 |
|
|
445702 |
135268989 |
1 |
F2N2O3C26H26 |
A2B2C3D26E26 |
-171.74 |
2.58 |
-9.52 |
-0.76 |
0 |
|
|
445703 |
135268991 |
1 |
Cl2O3N4C11H14 |
A2B3C4D11E14 |
-83.48 |
2.71 |
-9.41 |
-2.01 |
0 |
|
|
445704 |
135268999 |
1 |
F2N2O6C27H32 |
A2B2C6D27E32 |
-320.34 |
7.35 |
-8.34 |
-0.62 |
0 |
|
|
445705 |
135269002 |
1 |
O2N5C25H25 |
A2B5C25D25 |
37.17 |
4.44 |
-8.56 |
-0.74 |
0 |
|
|
445706 |
135269005 |
1 |
Cl2N3O5C25H25 |
A2B3C5D25E25 |
-168.03 |
5.55 |
-9.5 |
-1.3 |
0 |
|
|
445707 |
135269008 |
1 |
F3N3O7C28H32 |
A3B3C7D28E32 |
-395.89 |
8.99 |
-9.15 |
-1.04 |
0 |
|
|
445708 |
135269025 |
1 |
F2N3C32H33 |
A2B3C32D33 |
72.78 |
5.21 |
-9.23 |
-0.95 |
0 |
|
|
445709 |
135269032 |
1 |
ClO2C7H7 |
AB2C7D7 |
-61.24 |
3.69 |
-9.52 |
-1.17 |
0 |
|
|
445710 |
135269036 |
4 |
NC5H9 |
AB5C9 |
2.56 |
5.03 |
-7.8 |
0.57 |
0 |
|
|
445711 |
135269037 |
1 |
OPN7H24C25 |
ABC7D24E25 |
110.86 |
7.11 |
-8.52 |
-0.89 |
0 |
|
|
445712 |
135269049 |
1 |
F2N4O4C25H30 |
A2B4C4D25E30 |
-224.33 |
4.16 |
-8.68 |
-0.59 |
0 |
|
|
445713 |
135269052 |
1 |
O3N5C20H27 |
A3B5C20D27 |
-7.56 |
6.58 |
-8.17 |
-0.61 |
0 |
|
|
445714 |
135269059 |
1 |
ClF3O4N5H21C22 |
AB3C4D5E21F22 |
-241.77 |
5.81 |
-9.29 |
-1.03 |
0 |
|
|
445715 |
135269061 |
1 |
O2N4C7H10 |
A2B4C7D10 |
-61.04 |
3.3 |
-8.81 |
-0.28 |
0 |
|
|
445716 |
135269077 |
1 |
ClO2N5C26H32 |
AB2C5D26E32 |
5.41 |
2.54 |
-8.47 |
-0.64 |
0 |
|
|
445717 |
135269080 |
1 |
SN4O4C24H28 |
AB4C4D24E28 |
-115.57 |
7.1 |
-9.17 |
-0.68 |
0 |
|
|
445718 |
135269084 |
1 |
N2C17H30 |
A2B17C30 |
1.47 |
2.92 |
-8.31 |
0.96 |
0 |
|
|
445719 |
135269085 |
1 |
F3N5O6C18H18 |
A3B5C6D18E18 |
-285.19 |
3.14 |
-9.31 |
-0.81 |
0 |
|
|
445720 |
135269087 |
1 |
ClF3N3O4H25C26 |
AB3C3D4E25F26 |
-283.41 |
3.98 |
-9.44 |
-1.22 |
0 |
|
|
445721 |
135269088 |
1 |
BrClF3N4O5C21H23 |
ABC3D4E5F21G23 |
-324.58 |
4.76 |
-9.4 |
-1.14 |
0 |
|
|
445722 |
135269091 |
1 |
BrClF3N3O4H22C25 |
ABC3D3E4F22G25 |
-281.46 |
6.08 |
-8.78 |
-0.94 |
0 |
|
|
445723 |
135269110 |
1 |
SF3N5O5C21H22 |
AB3C5D5E21F22 |
-278.96 |
4.78 |
-8.8 |
-0.91 |
0 |
|
|
445724 |
135269111 |
1 |
SF3O4N5C22H24 |
AB3C4D5E22F24 |
-228.9 |
4.14 |
-8.47 |
-0.8 |
0 |
|
|
445725 |
135269114 |
1 |
N4O5C18H20 |
A4B5C18D20 |
-139.74 |
6.05 |
-9.28 |
-1.26 |
0 |
|
|
445726 |
135269115 |
1 |
FN2C15H17 |
AB2C15D17 |
-5.78 |
3.07 |
-9.32 |
0.0 |
0 |
|
|
445727 |
135269116 |
1 |
ClO2N4C30H37 |
AB2C4D30E37 |
-34.7 |
3.53 |
-9.08 |
-0.51 |
0 |
|
|
445728 |
135269117 |
1 |
ClOSN6C22H25 |
ABCD6E22F25 |
84.73 |
0.44 |
-8.1 |
-0.62 |
0 |
|
|
445729 |
135269135 |
1 |
F3N3O5C20H20 |
A3B3C5D20E20 |
-298.87 |
2.74 |
-9.48 |
-1.31 |
0 |
|
|
445730 |
135269136 |
1 |
N3O4C26H29 |
A3B4C26D29 |
-118.81 |
5.19 |
-9.25 |
-0.95 |
0 |
|
|
445731 |
135269160 |
1 |
ClO3N5C16H24 |
AB3C5D16E24 |
-100.74 |
5.53 |
-9.35 |
-0.09 |
0 |
|
|
445732 |
135269161 |
1 |
Cl2O3N4H12C14 |
A2B3C4D12E14 |
-41.33 |
4.11 |
-9.44 |
-1.17 |
0 |
|
|
445733 |
135269188 |
1 |
N3C19H29 |
A3B19C29 |
54.24 |
1.06 |
-7.97 |
0.24 |
0 |
|
|
445734 |
135269189 |
1 |
F3O3N5C21H24 |
A3B3C5D21E24 |
-196.1 |
3.75 |
-9.2 |
-1.29 |
0 |
|
|
445735 |
135269213 |
1 |
O2N4C19H34 |
A2B4C19D34 |
-89.32 |
4.25 |
-8.04 |
-0.12 |
0 |
|
|
445736 |
135269215 |
1 |
N4O4C17H30 |
A4B4C17D30 |
-182.69 |
3.18 |
-8.45 |
-0.06 |
0 |
|
|
445737 |
135269220 |
1 |
ClSF3O4N5H19C24 |
ABC3D4E5F19G24 |
-204.23 |
3.13 |
-9.01 |
-0.99 |
0 |
|
|
445738 |
135269221 |
1 |
FN4O4C22H23 |
AB4C4D22E23 |
-118.62 |
5.93 |
-9.7 |
-0.62 |
0 |
|
|
445739 |
135269243 |
1 |
FN5C21H26 |
AB5C21D26 |
58.1 |
4.2 |
-8.19 |
-0.33 |
0 |
|
|
445740 |
135269247 |
1 |
ClN4C20H29 |
AB4C20D29 |
70.81 |
2.1 |
-8.34 |
-0.14 |
0 |
|
|
445741 |
135269248 |
1 |
Cl2O3N4C17H20 |
A2B3C4D17E20 |
-100.37 |
0.88 |
-8.96 |
-0.7 |
0 |
|
|
445742 |
135269286 |
1 |
N2F3C12H21 |
A2B3C12D21 |
-171.0 |
3.36 |
-8.24 |
1.0 |
0 |
|
|
445743 |
135269287 |
2 |
N2O2C12H13 |
A2B2C12D13 |
-107.11 |
5.54 |
-8.82 |
-0.92 |
0 |
|
|
445744 |
135269295 |
1 |
ON3C18H27 |
AB3C18D27 |
15.71 |
2.03 |
-8.09 |
0.22 |
0 |