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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
293900 |
117414002 |
1 |
ClNSO4C9H10 |
ABCD4E9F10 |
-154.89 |
5.96 |
-9.37 |
-1.14 |
0 |
|
|
293901 |
117414029 |
1 |
ClNF3C12H13 |
ABC3D12E13 |
-142.59 |
0.84 |
-9.09 |
-0.9 |
0 |
|
|
293902 |
117414122 |
1 |
ClON3C13H14 |
ABC3D13E14 |
19.08 |
4.16 |
-8.5 |
-0.72 |
0 |
|
|
293903 |
117414200 |
1 |
ClN3C14H18 |
AB3C14D18 |
34.12 |
2.58 |
-8.47 |
-0.19 |
0 |
|
|
293904 |
117414363 |
1 |
BrFNO2C9H11 |
ABCD2E9F11 |
-78.32 |
2.58 |
-9.12 |
-0.36 |
0 |
|
|
293905 |
117414483 |
1 |
F3O4C11H11 |
A3B4C11D11 |
-292.19 |
2.59 |
-9.6 |
-0.82 |
0 |
|
|
293906 |
117414504 |
1 |
F3O4C11H11 |
A3B4C11D11 |
-304.59 |
4.04 |
-9.76 |
-1.02 |
0 |
|
|
293907 |
117414505 |
1 |
F3O4C11H11 |
A3B4C11D11 |
-323.59 |
6.2 |
-9.56 |
-0.93 |
0 |
|
|
293908 |
117415133 |
1 |
O4C15H20 |
A4B15C20 |
-164.93 |
4.13 |
-8.77 |
-0.09 |
0 |
|
|
293909 |
117415701 |
1 |
N2O2C15H24 |
A2B2C15D24 |
-68.29 |
4.12 |
-8.51 |
0.46 |
0 |
|
|
293910 |
117415728 |
1 |
N2O2C15H24 |
A2B2C15D24 |
-63.41 |
2.57 |
-8.39 |
0.27 |
0 |
|
|
293911 |
117415738 |
1 |
N2O2C15H24 |
A2B2C15D24 |
-65.2 |
3.75 |
-8.39 |
0.34 |
0 |
|
|
293912 |
117415793 |
1 |
N2O2C15H24 |
A2B2C15D24 |
-75.63 |
2.73 |
-8.25 |
0.38 |
0 |
|
|
293913 |
117415853 |
1 |
N2O2C15H24 |
A2B2C15D24 |
-75.17 |
4.1 |
-7.86 |
0.53 |
0 |
|
|
293914 |
117415964 |
1 |
O2C17H28 |
A2B17C28 |
-121.16 |
3.2 |
-8.79 |
0.13 |
0 |
|
|
293915 |
117415965 |
1 |
O2C17H28 |
A2B17C28 |
-119.79 |
2.93 |
-8.74 |
0.22 |
0 |
|
|
293916 |
117415981 |
1 |
BrClFNOH4C8 |
ABCDEF4G8 |
-46.94 |
2.76 |
-10.14 |
-1.19 |
0 |
|
|
293917 |
117416009 |
1 |
ClF2O4H7C10 |
AB2C4D7E10 |
-234.58 |
3.41 |
-9.98 |
-1.52 |
0 |
|
|
293918 |
117416169 |
1 |
ClN2O2C13H13 |
AB2C2D13E13 |
6.58 |
1.75 |
-8.98 |
-0.85 |
0 |
|
|
293919 |
117416191 |
1 |
ClO3H13C14 |
AB3C13D14 |
-113.27 |
5.54 |
-8.88 |
-0.96 |
0 |
|
|
293920 |
117416195 |
1 |
ClN2O2C13H13 |
AB2C2D13E13 |
-13.2 |
5.17 |
-8.77 |
-0.7 |
0 |
|
|
293921 |
117416301 |
1 |
ClN2C15H21 |
AB2C15D21 |
23.04 |
2.87 |
-8.73 |
-0.08 |
0 |
|
|
293922 |
117416303 |
1 |
ClN2C15H21 |
AB2C15D21 |
18.75 |
4.48 |
-8.49 |
0.05 |
0 |
|
|
293923 |
117416305 |
1 |
ClN2C15H21 |
AB2C15D21 |
13.15 |
2.92 |
-8.74 |
0.11 |
0 |
|
|
293924 |
117416482 |
1 |
FCl2O2C11H11 |
AB2C2D11E11 |
-147.01 |
2.96 |
-9.99 |
-0.91 |
0 |
|
|
293925 |
117416483 |
1 |
FCl2O2C11H11 |
AB2C2D11E11 |
-147.19 |
3.19 |
-9.85 |
-1.06 |
0 |
|
|
293926 |
117416749 |
1 |
NO5C13H15 |
AB5C13D15 |
-197.09 |
2.88 |
-9.0 |
-0.6 |
0 |
|
|
293927 |
117416765 |
1 |
NO3H11C16 |
AB3C11D16 |
-5.63 |
4.4 |
-9.49 |
-1.37 |
0 |
|
|
293928 |
117416767 |
1 |
NO3H11C16 |
AB3C11D16 |
-9.29 |
5.89 |
-9.57 |
-1.32 |
0 |
|
|
293929 |
117417042 |
1 |
NO4C14H19 |
AB4C14D19 |
-133.26 |
6.36 |
-9.02 |
-0.83 |
0 |
|
|
293930 |
117417132 |
1 |
NO4C14H19 |
AB4C14D19 |
-156.76 |
5.74 |
-8.97 |
-0.38 |
0 |
|
|
293931 |
117417249 |
1 |
NO4C14H19 |
AB4C14D19 |
-170.28 |
1.68 |
-8.88 |
-0.69 |
0 |
|
|
293932 |
117417257 |
1 |
NO4C14H19 |
AB4C14D19 |
-153.02 |
4.55 |
-8.89 |
-0.14 |
0 |
|
|
293933 |
117417336 |
1 |
FNO2C15H20 |
ABC2D15E20 |
-120.16 |
3.34 |
-8.65 |
0.1 |
0 |
|
|
293934 |
117417400 |
1 |
FNO2C15H20 |
ABC2D15E20 |
-131.06 |
7.61 |
-9.24 |
-0.15 |
0 |
|
|
293935 |
117417402 |
1 |
FNO2C15H20 |
ABC2D15E20 |
-106.06 |
5.79 |
-9.1 |
-0.28 |
0 |
|
|
293936 |
117417628 |
1 |
NO3C15H23 |
AB3C15D23 |
-113.33 |
1.92 |
-8.5 |
0.25 |
0 |
|
|
293937 |
117418010 |
1 |
NSO2C14H19 |
ABC2D14E19 |
-43.81 |
6.34 |
-9.02 |
-0.42 |
0 |
|
|
293938 |
117418272 |
1 |
ClNF2O3C10H10 |
ABC2D3E10F10 |
-195.53 |
4.78 |
-9.61 |
-0.87 |
0 |
|
|
293939 |
117418302 |
1 |
ClNOF3C11H11 |
ABCD3E11F11 |
-185.14 |
6.43 |
-9.21 |
-0.5 |
0 |
|
|
293940 |
117418303 |
1 |
ClNSF2O2H6C9 |
ABCD2E2F6G9 |
-139.48 |
7.46 |
-9.35 |
-1.3 |
0 |
|
|
293941 |
117418326 |
1 |
ClNO3H12C13 |
ABC3D12E13 |
-62.01 |
2.73 |
-8.97 |
-1.21 |
0 |
|
|
293942 |
117418329 |
1 |
ClNO3H12C13 |
ABC3D12E13 |
-74.02 |
4.15 |
-9.07 |
-0.67 |
0 |
|
|
293943 |
117418443 |
1 |
ClO2N3C12H12 |
AB2C3D12E12 |
-29.44 |
3.46 |
-8.88 |
-0.78 |
0 |
|
|
293944 |
117418505 |
1 |
ClON3C13H16 |
ABC3D13E16 |
1.47 |
4.86 |
-8.77 |
-0.29 |
0 |
|
|
293945 |
117418637 |
1 |
ClNO2C14H16 |
ABC2D14E16 |
-56.43 |
3.66 |
-9.11 |
-0.42 |
0 |
|
|
293946 |
117418768 |
1 |
ClNOC15H20 |
ABCD15E20 |
-35.24 |
2.53 |
-9.14 |
-0.12 |
0 |
|
|
293947 |
117418824 |
1 |
ClNOC15H20 |
ABCD15E20 |
-17.56 |
2.65 |
-9.03 |
-0.22 |
0 |
|
|
293948 |
117418969 |
1 |
BrNF2O2H6C8 |
ABC2D2E6F8 |
-138.49 |
3.57 |
-9.7 |
-1.3 |
0 |
|
|
293949 |
117419681 |
1 |
N2O4C13H18 |
A2B4C13D18 |
-160.19 |
2.12 |
-9.12 |
-0.14 |
0 |
|
|
293950 |
117419929 |
1 |
SO2N4C11H14 |
AB2C4D11E14 |
-20.7 |
3.22 |
-8.69 |
0.03 |
0 |
|
|
293951 |
117419930 |
1 |
SN2O3C12H14 |
AB2C3D12E14 |
-27.43 |
2.65 |
-8.38 |
-0.44 |
0 |
|
|
293952 |
117420099 |
1 |
N2O3C14H22 |
A2B3C14D22 |
-76.06 |
2.24 |
-8.57 |
0.11 |
0 |
|
|
293953 |
117420103 |
1 |
N2O3C14H22 |
A2B3C14D22 |
-76.07 |
1.47 |
-9.03 |
-0.14 |
0 |
|
|
293954 |
117420104 |
1 |
N2O3C14H22 |
A2B3C14D22 |
-70.52 |
2.1 |
-8.65 |
0.02 |
0 |
|
|
293955 |
117420108 |
1 |
N2O3C14H22 |
A2B3C14D22 |
-95.19 |
3.22 |
-8.06 |
0.02 |
0 |
|
|
293956 |
117420110 |
1 |
N2O3C14H22 |
A2B3C14D22 |
-99.05 |
5.3 |
-8.47 |
0.08 |
0 |
|
|
293957 |
117420127 |
1 |
N2O3C14H22 |
A2B3C14D22 |
-126.39 |
6.78 |
-8.96 |
0.16 |
0 |
|
|
293958 |
117420166 |
1 |
N2O3C14H22 |
A2B3C14D22 |
-148.16 |
1.5 |
-9.12 |
-0.19 |
0 |
|
|
293959 |
117420249 |
1 |
SO3C14H18 |
AB3C14D18 |
-105.91 |
6.47 |
-8.51 |
-0.26 |
0 |
|
|
293960 |
117420251 |
1 |
SO3C14H18 |
AB3C14D18 |
-94.82 |
5.25 |
-10.0 |
-0.63 |
0 |
|
|
293961 |
117420308 |
1 |
SO3C14H18 |
AB3C14D18 |
-110.07 |
3.36 |
-8.75 |
-0.29 |
0 |
|
|
293962 |
117420310 |
1 |
SO3C14H18 |
AB3C14D18 |
-118.91 |
3.55 |
-8.56 |
-0.21 |
0 |
|
|
293963 |
117420318 |
1 |
SO3C14H18 |
AB3C14D18 |
-75.71 |
4.88 |
-8.8 |
-0.08 |
0 |
|
|
293964 |
117420326 |
1 |
SO3C14H18 |
AB3C14D18 |
-107.37 |
3.93 |
-8.57 |
-0.17 |
0 |
|
|
293965 |
117420347 |
1 |
O3C16H26 |
A3B16C26 |
-141.18 |
2.28 |
-8.16 |
0.14 |
0 |
|
|
293966 |
117420348 |
1 |
O3C16H26 |
A3B16C26 |
-137.22 |
3.43 |
-8.65 |
0.11 |
0 |
|
|
293967 |
117420350 |
1 |
OC19H22 |
AB19C22 |
-8.33 |
3.58 |
-8.99 |
-0.27 |
0 |
|
|
293968 |
117420359 |
2 |
NC9H11 |
AB9C11 |
43.92 |
2.81 |
-8.71 |
0.14 |
0 |
|
|
293969 |
117420478 |
1 |
ClO2F3H10C11 |
AB2C3D10E11 |
-211.15 |
2.94 |
-9.48 |
-1.04 |
0 |
|
|
293970 |
117420480 |
1 |
ClO2F3H10C11 |
AB2C3D10E11 |
-213.39 |
2.21 |
-9.55 |
-0.96 |
0 |
|
|
293971 |
117420525 |
1 |
ClN2O3H11C12 |
AB2C3D11E12 |
-64.05 |
3.57 |
-9.48 |
-0.79 |
0 |
|
|
293972 |
117420530 |
1 |
ClN2O3H11C12 |
AB2C3D11E12 |
-64.31 |
6.57 |
-8.7 |
-1.93 |
0 |
|
|
293973 |
117420536 |
1 |
ClN2O3H11C12 |
AB2C3D11E12 |
-73.28 |
6.28 |
-9.01 |
-0.83 |
0 |
|
|
293974 |
117420545 |
1 |
ClN2O3H11C12 |
AB2C3D11E12 |
-70.24 |
4.87 |
-9.03 |
-0.75 |
0 |
|
|
293975 |
117420546 |
1 |
ClN2O3H11C12 |
AB2C3D11E12 |
-67.18 |
3.1 |
-8.65 |
-1.82 |
0 |
|
|
293976 |
117420558 |
1 |
ClN2O3H11C12 |
AB2C3D11E12 |
-53.14 |
4.47 |
-8.56 |
-1.85 |
0 |
|
|
293977 |
117420707 |
1 |
ClO3C14H15 |
AB3C14D15 |
-122.75 |
2.3 |
-9.06 |
-0.48 |
0 |
|
|
293978 |
117420715 |
1 |
ClN2O2C13H15 |
AB2C2D13E15 |
-61.55 |
6.57 |
-8.38 |
-0.2 |
0 |
|
|
293979 |
117420724 |
1 |
ClN2O2C13H15 |
AB2C2D13E15 |
-19.52 |
2.31 |
-8.79 |
-0.46 |
0 |
|
|
293980 |
117420741 |
1 |
ClN2O2C13H15 |
AB2C2D13E15 |
-23.46 |
4.94 |
-8.82 |
-0.44 |
0 |
|
|
293981 |
117420759 |
1 |
ClN2O2C13H15 |
AB2C2D13E15 |
-46.81 |
2.05 |
-8.83 |
-0.59 |
0 |
|
|
293982 |
117420804 |
1 |
ClO2C15H19 |
AB2C15D19 |
-65.21 |
4.63 |
-9.27 |
-0.24 |
0 |
|
|
293983 |
117420806 |
1 |
ClO2C15H19 |
AB2C15D19 |
-102.47 |
4.52 |
-8.95 |
-0.18 |
0 |
|
|
293984 |
117420857 |
1 |
ClON2C14H19 |
ABC2D14E19 |
-34.05 |
2.42 |
-8.78 |
-0.67 |
0 |
|
|
293985 |
117420870 |
1 |
ClON2C14H19 |
ABC2D14E19 |
-28.12 |
2.5 |
-8.94 |
-0.21 |
0 |
|
|
293986 |
117421001 |
1 |
BrON2C11H11 |
ABC2D11E11 |
31.3 |
2.69 |
-9.22 |
-0.24 |
0 |
|
|
293987 |
117421007 |
1 |
BrON2C11H11 |
ABC2D11E11 |
30.3 |
2.75 |
-9.27 |
-0.31 |
0 |
|
|
293988 |
117421157 |
1 |
NF2O3H11C13 |
AB2C3D11E13 |
-185.84 |
5.17 |
-9.72 |
-0.74 |
0 |
|
|
293989 |
117421168 |
1 |
NF2O3H11C13 |
AB2C3D11E13 |
-161.8 |
4.32 |
-9.25 |
-0.76 |
0 |
|
|
293990 |
117421349 |
1 |
NO5C13H17 |
AB5C13D17 |
-176.46 |
4.47 |
-8.79 |
-0.27 |
0 |
|
|
293991 |
117421351 |
1 |
NO5C13H17 |
AB5C13D17 |
-176.87 |
2.5 |
-8.82 |
-0.09 |
0 |
|
|
293992 |
117421371 |
1 |
NO5C13H17 |
AB5C13D17 |
-181.78 |
8.34 |
-9.06 |
-0.15 |
0 |
|
|
293993 |
117421390 |
1 |
NO3H13C16 |
AB3C13D16 |
-59.66 |
6.67 |
-9.5 |
-1.3 |
0 |
|
|
293994 |
117421431 |
1 |
SN3O3C11H13 |
AB3C3D11E13 |
-75.24 |
6.26 |
-8.81 |
-0.83 |
0 |
|
|
293995 |
117421433 |
1 |
SN3O3C11H13 |
AB3C3D11E13 |
-56.3 |
2.9 |
-8.7 |
-1.15 |
0 |
|
|
293996 |
117421501 |
1 |
FNO3C14H18 |
ABC3D14E18 |
-124.63 |
5.52 |
-8.77 |
-0.29 |
0 |
|
|
293997 |
117421525 |
1 |
FNO3C14H18 |
ABC3D14E18 |
-167.33 |
8.79 |
-9.32 |
-0.34 |
0 |
|
|
293998 |
117421526 |
1 |
FNO3C14H18 |
ABC3D14E18 |
-163.71 |
7.59 |
-9.24 |
-0.28 |
0 |
|
|
293999 |
117421546 |
1 |
FNO3C14H18 |
ABC3D14E18 |
-148.22 |
7.73 |
-8.85 |
-0.23 |
0 |