List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
203895 |
79890033 |
1 |
O2N3C13H17 |
A2B3C13D17 |
-44.59 |
1.93 |
-8.13 |
-0.18 |
0 |
|
|
203896 |
79890034 |
1 |
N3O3C11H13 |
A3B3C11D13 |
-79.71 |
2.09 |
-8.27 |
-0.25 |
0 |
|
|
203897 |
79890035 |
1 |
N3O3C11H13 |
A3B3C11D13 |
-80.19 |
3.36 |
-8.32 |
-0.2 |
0 |
|
|
203898 |
79890036 |
1 |
ON3C15H15 |
AB3C15D15 |
28.68 |
1.85 |
-8.16 |
-0.05 |
0 |
|
|
203899 |
79890037 |
1 |
O2N3C13H19 |
A2B3C13D19 |
-57.42 |
3.45 |
-8.3 |
-0.21 |
0 |
|
|
203900 |
79890038 |
1 |
BrON3H14C15 |
ABC3D14E15 |
43.27 |
4.35 |
-8.3 |
-0.26 |
0 |
|
|
203901 |
79890039 |
1 |
ON5C13H15 |
AB5C13D15 |
55.49 |
4.88 |
-8.19 |
-0.14 |
0 |
|
|
203902 |
79890107 |
1 |
ON4C14H20 |
AB4C14D20 |
9.57 |
3.61 |
-7.96 |
0.13 |
0 |
|
|
203903 |
79890155 |
1 |
ON3C12H17 |
AB3C12D17 |
-12.32 |
1.7 |
-8.14 |
0.01 |
0 |
|
|
203904 |
79890156 |
1 |
ON3H13C14 |
AB3C13D14 |
38.32 |
2.82 |
-8.14 |
-0.16 |
0 |
|
|
203905 |
79890157 |
1 |
FON3H14C15 |
ABC3D14E15 |
-16.8 |
3.1 |
-8.24 |
-0.19 |
0 |
|
|
203906 |
79890367 |
1 |
ON3C15H19 |
AB3C15D19 |
38.03 |
2.54 |
-8.26 |
-0.17 |
0 |
|
|
203907 |
79890368 |
1 |
O3N4H10C11 |
A3B4C10D11 |
-59.49 |
4.46 |
-8.71 |
-0.77 |
0 |
|
|
203908 |
79890369 |
1 |
O2N3C12H17 |
A2B3C12D17 |
-51.49 |
2.13 |
-8.29 |
-0.21 |
0 |
|
|
203909 |
79890574 |
1 |
ON4C14H22 |
AB4C14D22 |
-5.77 |
4.04 |
-8.2 |
-0.1 |
0 |
|
|
203910 |
79890818 |
1 |
OSN4C13H14 |
ABC4D13E14 |
45.69 |
0.88 |
-8.34 |
-0.38 |
0 |
|
|
203911 |
79890819 |
1 |
ON3C16H23 |
AB3C16D23 |
-21.2 |
3.02 |
-8.27 |
-0.19 |
0 |
|
|
203912 |
79890842 |
1 |
BrON3H12C14 |
ABC3D12E14 |
29.45 |
2.22 |
-8.21 |
-0.45 |
0 |
|
|
203913 |
79890905 |
1 |
BrOSN2H9C13 |
ABCD2E9F13 |
48.55 |
2.37 |
-8.69 |
-1.04 |
0 |
|
|
203914 |
79890906 |
1 |
ON3H13C14 |
AB3C13D14 |
43.43 |
0.89 |
-8.11 |
-0.18 |
0 |
|
|
203915 |
79890907 |
1 |
ON4C14H20 |
AB4C14D20 |
5.78 |
1.0 |
-8.14 |
-0.04 |
0 |
|
|
203916 |
79891048 |
1 |
ON5C11H11 |
AB5C11D11 |
48.96 |
2.29 |
-8.51 |
-0.46 |
0 |
|
|
203917 |
79891049 |
1 |
O2N3C12H17 |
A2B3C12D17 |
-53.93 |
3.12 |
-8.39 |
-0.31 |
0 |
|
|
203918 |
79891050 |
1 |
O2N3C13H19 |
A2B3C13D19 |
-45.65 |
3.48 |
-8.21 |
-0.11 |
0 |
|
|
203919 |
79891051 |
1 |
O2N3C11H15 |
A2B3C11D15 |
-53.47 |
4.14 |
-8.29 |
-0.21 |
0 |
|
|
203920 |
79891052 |
1 |
ON3C16H17 |
AB3C16D17 |
33.55 |
2.75 |
-8.26 |
-0.2 |
0 |
|
|
203921 |
79891053 |
1 |
O2N3C14H19 |
A2B3C14D19 |
-49.81 |
2.24 |
-8.4 |
-0.33 |
0 |
|
|
203922 |
79891054 |
1 |
S2N3O3C12H15 |
A2B3C3D12E15 |
-67.18 |
6.32 |
-8.62 |
-0.62 |
0 |
|
|
203923 |
79891055 |
1 |
OSN3C15H17 |
ABC3D15E17 |
30.62 |
3.18 |
-8.26 |
-0.2 |
0 |
|
|
203924 |
79891056 |
1 |
ON4C13H14 |
AB4C13D14 |
43.66 |
1.87 |
-8.47 |
-0.74 |
0 |
|
|
203925 |
79891057 |
1 |
ClOSN2H9C13 |
ABCD2E9F13 |
34.84 |
2.5 |
-8.61 |
-0.91 |
0 |
|
|
203926 |
79891080 |
1 |
ON3H13C14 |
AB3C13D14 |
29.81 |
2.37 |
-8.1 |
-0.32 |
0 |
|
|
203927 |
79891081 |
1 |
BrFON3H9C13 |
ABCD3E9F13 |
-13.87 |
4.05 |
-8.27 |
-0.61 |
0 |
|
|
203928 |
79891082 |
1 |
O2N3C11H15 |
A2B3C11D15 |
-34.66 |
2.81 |
-8.14 |
0.02 |
0 |
|
|
203929 |
79891254 |
1 |
BrNOF2H14C15 |
ABCD2E14F15 |
-77.78 |
2.55 |
-9.32 |
-0.62 |
0 |
|
|
203930 |
79891255 |
1 |
NF2O2C11H15 |
AB2C2D11E15 |
-148.49 |
3.0 |
-9.43 |
-0.44 |
0 |
|
|
203931 |
79891256 |
1 |
F2O2N3C12H13 |
A2B2C3D12E13 |
-112.69 |
3.62 |
-9.56 |
-0.75 |
0 |
|
|
203932 |
79891257 |
1 |
NOF2C12H15 |
ABC2D12E15 |
-90.0 |
3.26 |
-9.18 |
-0.44 |
0 |
|
|
203933 |
79891258 |
1 |
ClNOF3H9C13 |
ABCD3E9F13 |
-139.09 |
0.39 |
-8.89 |
-0.78 |
0 |
|
|
203934 |
79891259 |
2 |
FNOC6H8 |
ABCD6E8 |
-153.94 |
6.29 |
-9.49 |
-0.63 |
0 |
|
|
203935 |
79891354 |
1 |
NOF2C10H13 |
ABC2D10E13 |
-112.75 |
0.65 |
-9.03 |
-0.31 |
0 |
|
|
203936 |
79891456 |
1 |
NSF2O3C11H11 |
ABC2D3E11F11 |
-166.21 |
6.95 |
-9.61 |
-0.74 |
0 |
|
|
203937 |
79891539 |
1 |
F2O2C15H18 |
A2B2C15D18 |
-161.94 |
4.82 |
-9.44 |
-1.06 |
0 |
|
|
203938 |
79891540 |
2 |
ClFOH4C7 |
ABCD4E7 |
-121.65 |
2.56 |
-9.72 |
-1.29 |
0 |
|
|
203939 |
79891541 |
1 |
NF2O3C14H17 |
AB2C3D14E17 |
-193.93 |
2.11 |
-9.92 |
-1.53 |
0 |
|
|
203940 |
79891939 |
1 |
NOF2C14H17 |
ABC2D14E17 |
-68.23 |
3.63 |
-9.24 |
-0.32 |
0 |
|
|
203941 |
79892839 |
1 |
O2N3C13H19 |
A2B3C13D19 |
-53.63 |
1.46 |
-8.12 |
-0.01 |
0 |
|
|
203942 |
79892840 |
1 |
ON3C14H19 |
AB3C14D19 |
16.25 |
2.43 |
-8.02 |
0.08 |
0 |
|
|
203943 |
79892841 |
1 |
ON3C15H21 |
AB3C15D21 |
-12.19 |
1.99 |
-8.02 |
0.07 |
0 |
|
|
203944 |
79892842 |
1 |
ON3C14H21 |
AB3C14D21 |
-16.47 |
2.0 |
-8.0 |
0.09 |
0 |