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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
287900 |
104298071 |
2 |
NOC8H11 |
ABC8D11 |
-31.18 |
3.55 |
-9.06 |
-0.46 |
0 |
|
|
287901 |
104298083 |
1 |
NO3C16H19 |
AB3C16D19 |
-80.83 |
1.57 |
-9.36 |
-0.78 |
0 |
|
|
287902 |
104298098 |
1 |
N2O3C15H16 |
A2B3C15D16 |
-57.57 |
2.24 |
-9.62 |
-0.84 |
0 |
|
|
287903 |
104298181 |
1 |
NSO2C16H19 |
ABC2D16E19 |
-25.06 |
3.0 |
-8.71 |
-0.74 |
0 |
|
|
287904 |
104298305 |
1 |
NO2C18H23 |
AB2C18D23 |
-57.34 |
4.62 |
-9.27 |
-0.44 |
0 |
|
|
287905 |
104298322 |
1 |
NSO2C17H21 |
ABC2D17E21 |
-43.48 |
5.9 |
-8.65 |
-0.57 |
0 |
|
|
287906 |
104298334 |
1 |
NO3C17H21 |
AB3C17D21 |
-83.46 |
6.85 |
-9.36 |
-0.58 |
0 |
|
|
287907 |
104298356 |
1 |
NO2C18H25 |
AB2C18D25 |
-58.86 |
3.21 |
-9.3 |
-0.55 |
0 |
|
|
287908 |
104298401 |
1 |
NO3C17H23 |
AB3C17D23 |
-87.25 |
6.36 |
-9.26 |
-0.48 |
0 |
|
|
287909 |
104298404 |
1 |
N2O2C17H24 |
A2B2C17D24 |
-36.03 |
5.57 |
-8.95 |
-0.62 |
0 |
|
|
287910 |
104298470 |
1 |
N2O3H12C14 |
A2B3C12D14 |
8.49 |
5.43 |
-9.36 |
-1.08 |
0 |
|
|
287911 |
104298499 |
1 |
N2O2H16C17 |
A2B2C16D17 |
8.61 |
5.43 |
-9.12 |
-1.02 |
0 |
|
|
287912 |
104298545 |
1 |
NO2C18H25 |
AB2C18D25 |
-56.77 |
5.29 |
-9.33 |
-0.6 |
0 |
|
|
287913 |
104298563 |
1 |
NO2C17H23 |
AB2C17D23 |
-61.43 |
3.29 |
-9.45 |
-0.67 |
0 |
|
|
287914 |
104298593 |
1 |
N2O2H16C17 |
A2B2C16D17 |
3.39 |
3.96 |
-9.53 |
-0.98 |
0 |
|
|
287915 |
104298620 |
1 |
N2O3C16H16 |
A2B3C16D16 |
-4.32 |
3.81 |
-9.34 |
-0.53 |
0 |
|
|
287916 |
104298686 |
1 |
O2N3C13H15 |
A2B3C13D15 |
-20.2 |
2.63 |
-9.4 |
-0.69 |
0 |
|
|
287917 |
104298760 |
1 |
ON2C18H24 |
AB2C18D24 |
-1.26 |
4.12 |
-9.35 |
-0.66 |
0 |
|
|
287918 |
104298779 |
1 |
N2O2C17H22 |
A2B2C17D22 |
-34.44 |
4.91 |
-9.36 |
-0.6 |
0 |
|
|
287919 |
104298830 |
1 |
N2O3C16H20 |
A2B3C16D20 |
-60.49 |
4.04 |
-9.44 |
-0.74 |
0 |
|
|
287920 |
104298833 |
1 |
ON2C16H20 |
AB2C16D20 |
17.59 |
3.2 |
-9.13 |
-0.46 |
0 |
|
|
287921 |
104298919 |
1 |
N2O2C17H24 |
A2B2C17D24 |
-37.67 |
3.13 |
-9.36 |
-0.6 |
0 |
|
|
287922 |
104299121 |
2 |
NOC7H8 |
ABC7D8 |
-46.97 |
5.4 |
-9.28 |
-0.88 |
0 |
|
|
287923 |
104299294 |
1 |
BrClC18H18 |
ABC18D18 |
7.73 |
3.3 |
-9.19 |
-0.42 |
0 |
|
|
287924 |
104299340 |
1 |
BrSCl3H8C12 |
ABC3D8E12 |
28.73 |
0.54 |
-9.51 |
-1.05 |
0 |
|
|
287925 |
104299457 |
1 |
Br2F2H12C15 |
A2B2C12D15 |
-64.95 |
1.88 |
-9.5 |
-1.01 |
0 |
|
|
287926 |
104299538 |
1 |
BrSO3N4C12H13 |
ABC3D4E12F13 |
-56.83 |
4.79 |
-9.35 |
-0.66 |
0 |
|
|
287927 |
104299904 |
1 |
BrClNOC13H15 |
ABCDE13F15 |
-17.28 |
4.42 |
-9.6 |
-0.46 |
0 |
|
|
287928 |
104299922 |
1 |
NOBr2C13H17 |
ABC2D13E17 |
-39.74 |
2.4 |
-9.7 |
-0.56 |
0 |
|
|
287929 |
104300093 |
1 |
BrON2C15H17 |
ABC2D15E17 |
-4.09 |
4.88 |
-9.22 |
-0.53 |
0 |
|
|
287930 |
104300279 |
1 |
BrSN2O3C14H21 |
ABC2D3E14F21 |
-129.4 |
3.53 |
-9.11 |
-1.07 |
0 |
|
|
287931 |
104300321 |
1 |
BrNSO4C13H16 |
ABCD4E13F16 |
-156.89 |
2.9 |
-9.12 |
-1.26 |
0 |
|
|
287932 |
104300360 |
1 |
BrSN3C13H14 |
ABC3D13E14 |
85.74 |
2.69 |
-9.38 |
-1.39 |
0 |
|
|
287933 |
104300409 |
1 |
BrON2C11H11 |
ABC2D11E11 |
31.72 |
3.54 |
-9.32 |
-0.81 |
0 |
|
|
287934 |
104300713 |
1 |
ClN3O3H10C13 |
AB3C3D10E13 |
-67.0 |
1.79 |
-9.81 |
-1.62 |
0 |
|
|
287935 |
104300809 |
1 |
ClNSO3H12C14 |
ABCD3E12F14 |
-87.49 |
3.31 |
-9.63 |
-0.84 |
0 |
|
|
287936 |
104300995 |
1 |
ClNO2C16H16 |
ABC2D16E16 |
-45.68 |
3.97 |
-8.81 |
-0.12 |
0 |
|
|
287937 |
104301295 |
1 |
ClNSC15H18 |
ABCD15E18 |
11.44 |
4.09 |
-8.9 |
-0.1 |
0 |
|
|
287938 |
104301298 |
1 |
ClNH18C19 |
ABC18D19 |
37.13 |
2.64 |
-8.88 |
-0.57 |
0 |
|
|
287939 |
104301421 |
1 |
BrClNOH13C15 |
ABCDE13F15 |
-11.77 |
4.71 |
-9.68 |
-0.62 |
0 |
|
|
287940 |
104301444 |
1 |
ClN2O2H15C16 |
AB2C2D15E16 |
-18.76 |
3.01 |
-8.85 |
-0.86 |
0 |
|
|
287941 |
104301446 |
1 |
ClN2O2H15C16 |
AB2C2D15E16 |
-10.49 |
2.48 |
-9.13 |
-0.96 |
0 |
|
|
287942 |
104301447 |
1 |
ClSO2N3H12C13 |
ABC2D3E12F13 |
2.58 |
4.34 |
-9.22 |
-0.9 |
0 |
|
|
287943 |
104301476 |
1 |
ClON2H7C11 |
ABC2D7E11 |
42.82 |
5.04 |
-10.12 |
-1.44 |
0 |
|
|
287944 |
104301483 |
1 |
ClN3H14C16 |
AB3C14D16 |
69.26 |
1.92 |
-8.62 |
-0.63 |
0 |
|
|
287945 |
104301491 |
1 |
ClN3H14C16 |
AB3C14D16 |
77.3 |
4.79 |
-8.63 |
-0.5 |
0 |
|
|
287946 |
104301650 |
1 |
ClOSN2H11C14 |
ABCD2E11F14 |
53.13 |
3.96 |
-8.84 |
-0.56 |
0 |
|
|
287947 |
104301653 |
1 |
BrClON2H12C16 |
ABCD2E12F16 |
51.87 |
4.2 |
-9.17 |
-0.49 |
0 |
|
|
287948 |
104301700 |
2 |
ClNC8H9 |
ABC8D9 |
21.62 |
4.04 |
-9.12 |
-0.3 |
0 |
|
|
287949 |
104301794 |
2 |
ClOH3C4 |
ABC3D4 |
-83.23 |
3.73 |
-10.05 |
-1.26 |
0 |
|
|
287950 |
104301883 |
1 |
ClON2C17H23 |
ABC2D17E23 |
-47.65 |
3.6 |
-9.17 |
-0.38 |
0 |
|
|
287951 |
104302020 |
1 |
Cl2O2H14C15 |
A2B2C14D15 |
-69.56 |
4.08 |
-9.22 |
-0.38 |
0 |
|
|
287952 |
104302027 |
1 |
BrClOSH10C12 |
ABCDE10F12 |
-5.0 |
0.75 |
-9.39 |
-0.8 |
0 |
|
|
287953 |
104302144 |
1 |
BrClSC14H14 |
ABCD14E14 |
14.85 |
2.7 |
-9.27 |
-0.9 |
0 |
|
|
287954 |
104302297 |
1 |
ClO2N3C11H14 |
AB2C3D11E14 |
-39.22 |
3.55 |
-8.95 |
-0.68 |
0 |
|
|
287955 |
104302300 |
1 |
ClO2N3C12H16 |
AB2C3D12E16 |
-48.5 |
3.55 |
-8.92 |
-0.69 |
0 |
|
|
287956 |
104302303 |
1 |
ClO2N3C14H18 |
AB2C3D14E18 |
-53.96 |
4.92 |
-8.7 |
-0.84 |
0 |
|
|
287957 |
104302324 |
1 |
ClON3C15H18 |
ABC3D15E18 |
15.07 |
2.37 |
-9.05 |
-1.24 |
0 |
|
|
287958 |
104302366 |
1 |
ClON3H8C9 |
ABC3D8E9 |
37.55 |
1.57 |
-9.49 |
-1.2 |
0 |
|
|
287959 |
104302387 |
1 |
ClSN2H9C12 |
ABC2D9E12 |
57.21 |
5.31 |
-8.74 |
-1.12 |
0 |
|
|
287960 |
104302428 |
1 |
ClOC14H17 |
ABC14D17 |
-33.87 |
0.91 |
-9.41 |
-0.22 |
0 |
|
|
287961 |
104302495 |
1 |
Cl2F2H12C15 |
A2B2C12D15 |
-82.96 |
2.44 |
-9.36 |
-0.43 |
0 |
|
|
287962 |
104302579 |
1 |
NOCl2C15H19 |
ABC2D15E19 |
-63.52 |
5.88 |
-9.57 |
-0.59 |
0 |
|
|
287963 |
104302582 |
1 |
BrClNOC12H15 |
ABCDE12F15 |
-58.89 |
2.54 |
-9.6 |
-0.57 |
0 |
|
|
287964 |
104302585 |
1 |
BrClNOC11H13 |
ABCDE11F13 |
-55.84 |
3.06 |
-9.58 |
-0.55 |
0 |
|
|
287965 |
104302588 |
1 |
BrClNO2C12H15 |
ABCD2E12F15 |
-81.16 |
6.2 |
-9.76 |
-0.8 |
0 |
|
|
287966 |
104302597 |
1 |
BrClNOC12H15 |
ABCDE12F15 |
-55.17 |
2.82 |
-9.71 |
-0.65 |
0 |
|
|
287967 |
104302639 |
1 |
Cl2N3H11C15 |
A2B3C11D15 |
52.28 |
2.82 |
-8.97 |
-1.18 |
0 |
|
|
287968 |
104302896 |
1 |
ClSN2O3C13H17 |
ABC2D3E13F17 |
-116.6 |
9.11 |
-9.51 |
-1.04 |
0 |
|
|
287969 |
104302902 |
1 |
ClSN2O4C12H17 |
ABC2D4E12F17 |
-150.1 |
3.57 |
-9.54 |
-1.01 |
0 |
|
|
287970 |
104303056 |
1 |
NCl2C15H15 |
AB2C15D15 |
13.2 |
2.63 |
-9.51 |
-0.44 |
0 |
|
|
287971 |
104303110 |
1 |
BrClN3C13H15 |
ABC3D13E15 |
36.86 |
6.65 |
-9.38 |
-0.95 |
0 |
|
|
287972 |
104303295 |
2 |
NOC6H8 |
ABC6D8 |
-38.74 |
1.01 |
-10.03 |
-0.52 |
0 |
|
|
287973 |
104303325 |
1 |
FN2O3H13C14 |
AB2C3D13E14 |
-97.79 |
2.05 |
-9.25 |
-0.96 |
0 |
|
|
287974 |
104303446 |
1 |
ClFON3C13H13 |
ABCD3E13F13 |
-40.49 |
1.45 |
-9.59 |
-0.53 |
0 |
|
|
287975 |
104303605 |
1 |
ON3C14H23 |
AB3C14D23 |
-30.16 |
1.5 |
-8.89 |
-0.48 |
0 |
|
|
287976 |
104303743 |
1 |
ON3C16H21 |
AB3C16D21 |
-2.07 |
2.35 |
-8.97 |
-0.14 |
0 |
|
|
287977 |
104303755 |
1 |
ON3C16H27 |
AB3C16D27 |
-34.73 |
2.04 |
-9.04 |
-0.28 |
0 |
|
|
287978 |
104303839 |
1 |
FON3C16H20 |
ABC3D16E20 |
-44.04 |
3.04 |
-9.17 |
-0.11 |
0 |
|
|
287979 |
104304139 |
1 |
SN2O2C13H16 |
AB2C2D13E16 |
-41.62 |
2.65 |
-9.29 |
-0.39 |
0 |
|
|
287980 |
104304145 |
1 |
SN2O2C14H16 |
AB2C2D14E16 |
-31.32 |
4.69 |
-8.95 |
-0.54 |
0 |
|
|
287981 |
104304196 |
1 |
ClFN2O2H12C13 |
ABC2D2E12F13 |
-86.13 |
2.83 |
-9.7 |
-0.59 |
0 |
|
|
287982 |
104304199 |
1 |
ClF2N2O2H11C13 |
AB2C2D2E11F13 |
-134.59 |
3.49 |
-9.78 |
-0.8 |
0 |
|
|
287983 |
104304459 |
1 |
BrOSN2C14H15 |
ABCD2E14F15 |
12.84 |
3.35 |
-8.84 |
-0.77 |
0 |
|
|
287984 |
104304462 |
1 |
BrN2O2C10H15 |
AB2C2D10E15 |
-65.94 |
4.4 |
-8.46 |
-0.31 |
0 |
|
|
287985 |
104304475 |
1 |
BrN2O2C12H17 |
AB2C2D12E17 |
-74.04 |
4.36 |
-8.36 |
-0.32 |
0 |
|
|
287986 |
104304754 |
2 |
NOC8H9 |
ABC8D9 |
-49.53 |
7.01 |
-8.86 |
-0.13 |
0 |
|
|
287987 |
104304823 |
1 |
FSN2O3C13H13 |
ABC2D3E13F13 |
-127.08 |
2.74 |
-8.91 |
-0.83 |
0 |
|
|
287988 |
104304954 |
1 |
ON2C16H24 |
AB2C16D24 |
-42.37 |
2.4 |
-8.23 |
0.48 |
0 |
|
|
287989 |
104304961 |
1 |
ON2C15H24 |
AB2C15D24 |
-48.87 |
3.56 |
-8.26 |
0.51 |
0 |
|
|
287990 |
104305464 |
1 |
NO2C13H15 |
AB2C13D15 |
-40.23 |
3.8 |
-8.38 |
0.25 |
0 |
|
|
287991 |
104305593 |
1 |
NO2C18H21 |
AB2C18D21 |
-49.95 |
3.8 |
-8.18 |
-0.04 |
0 |
|
|
287992 |
104305718 |
1 |
ClNO2C11H14 |
ABC2D11E14 |
-91.23 |
4.24 |
-8.94 |
-0.17 |
0 |
|
|
287993 |
104305724 |
1 |
BrNO2C10H12 |
ABC2D10E12 |
-74.77 |
4.22 |
-9.07 |
-0.55 |
0 |
|
|
287994 |
104305840 |
1 |
FN2O2C16H17 |
AB2C2D16E17 |
-101.52 |
1.65 |
-8.86 |
-0.72 |
0 |
|
|
287995 |
104305932 |
1 |
N2O2C13H20 |
A2B2C13D20 |
-90.43 |
4.34 |
-8.95 |
-0.02 |
0 |
|
|
287996 |
104305954 |
2 |
NOC7H11 |
ABC7D11 |
-96.82 |
4.91 |
-8.9 |
0.02 |
0 |
|
|
287997 |
104306023 |
1 |
N2O2C13H20 |
A2B2C13D20 |
-87.42 |
4.55 |
-8.77 |
-0.04 |
0 |
|
|
287998 |
104306154 |
2 |
NOC8H8 |
ABC8D8 |
-41.76 |
5.74 |
-8.7 |
-0.36 |
0 |
|
|
287999 |
104306229 |
1 |
SN2O2C12H14 |
AB2C2D12E14 |
-39.33 |
4.11 |
-8.94 |
-0.79 |
0 |