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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
278900 |
103839730 |
1 |
FN2O3C15H23 |
AB2C3D15E23 |
-166.55 |
1.15 |
-8.75 |
-0.17 |
0 |
|
|
278901 |
103839738 |
1 |
FN2O3C15H23 |
AB2C3D15E23 |
-173.06 |
5.42 |
-9.12 |
0.05 |
0 |
|
|
278902 |
103839741 |
1 |
ClN2O3C15H21 |
AB2C3D15E21 |
-122.23 |
1.68 |
-8.79 |
-0.47 |
0 |
|
|
278903 |
103839751 |
2 |
ON2C5H9 |
AB2C5D9 |
-55.11 |
3.57 |
-8.83 |
-0.46 |
0 |
|
|
278904 |
103839753 |
2 |
ON2C6H11 |
AB2C6D11 |
-62.85 |
0.57 |
-8.8 |
0.36 |
0 |
|
|
278905 |
103839758 |
1 |
O2N3C16H27 |
A2B3C16D27 |
-75.7 |
4.49 |
-8.66 |
-0.22 |
0 |
|
|
278906 |
103839767 |
1 |
ClFN2O2C13H18 |
ABC2D2E13F18 |
-131.18 |
4.36 |
-9.1 |
-0.71 |
0 |
|
|
278907 |
103839769 |
1 |
ClSN2O2C13H19 |
ABC2D2E13F19 |
-62.75 |
3.79 |
-9.04 |
-1.09 |
0 |
|
|
278908 |
103839770 |
1 |
Cl2N2O2C15H20 |
A2B2C2D15E20 |
-79.28 |
2.85 |
-9.01 |
-0.77 |
0 |
|
|
278909 |
103839774 |
2 |
NOC5H11 |
ABC5D11 |
-122.25 |
4.23 |
-8.96 |
1.23 |
0 |
|
|
278910 |
103839776 |
1 |
N3O4C13H19 |
A3B4C13D19 |
-76.83 |
6.46 |
-9.12 |
-1.35 |
0 |
|
|
278911 |
103839781 |
1 |
N2O2C11H22 |
A2B2C11D22 |
-109.97 |
3.02 |
-8.8 |
0.4 |
0 |
|
|
278912 |
103839784 |
2 |
NOC8H17 |
ABC8D17 |
-152.12 |
4.1 |
-8.97 |
1.18 |
0 |
|
|
278913 |
103839806 |
1 |
N3O4C12H21 |
A3B4C12D21 |
-123.36 |
6.36 |
-8.94 |
-0.05 |
0 |
|
|
278914 |
103839809 |
1 |
O2N3C16H21 |
A2B3C16D21 |
-47.33 |
1.83 |
-8.69 |
-1.14 |
0 |
|
|
278915 |
103839822 |
1 |
O3N4C14H20 |
A3B4C14D20 |
-56.41 |
5.88 |
-9.18 |
-1.09 |
0 |
|
|
278916 |
103839835 |
1 |
SN2O2C14H22 |
AB2C2D14E22 |
-71.02 |
2.88 |
-8.86 |
-0.81 |
0 |
|
|
278917 |
103839846 |
1 |
SN2O2C13H22 |
AB2C2D13E22 |
-94.95 |
3.96 |
-8.89 |
-0.2 |
0 |
|
|
278918 |
103839868 |
1 |
O2N3C12H19 |
A2B3C12D19 |
-64.84 |
5.65 |
-9.15 |
-0.43 |
0 |
|
|
278919 |
103839885 |
1 |
N2O3C16H26 |
A2B3C16D26 |
-137.62 |
3.45 |
-8.84 |
0.38 |
0 |
|
|
278920 |
103839903 |
1 |
FN2O2C14H21 |
AB2C2D14E21 |
-132.75 |
2.39 |
-8.72 |
-0.48 |
0 |
|
|
278921 |
103839904 |
1 |
SO2N3C10H17 |
AB2C3D10E17 |
-57.82 |
2.23 |
-8.7 |
-1.03 |
0 |
|
|
278922 |
103839907 |
1 |
N3O3C14H25 |
A3B3C14D25 |
-126.56 |
2.66 |
-8.83 |
0.62 |
0 |
|
|
278923 |
103839911 |
1 |
N2O3C16H26 |
A2B3C16D26 |
-126.79 |
4.17 |
-8.67 |
0.16 |
0 |
|
|
278924 |
103839921 |
1 |
SO3N4C13H20 |
AB3C4D13E20 |
-109.78 |
6.24 |
-8.59 |
-1.45 |
0 |
|
|
278925 |
103839922 |
1 |
N3O4C13H19 |
A3B4C13D19 |
-80.82 |
6.82 |
-9.19 |
-1.49 |
0 |
|
|
278926 |
103839937 |
1 |
N2O2F3C14H19 |
A2B2C3D14E19 |
-238.9 |
5.51 |
-9.15 |
-0.77 |
0 |
|
|
278927 |
103839939 |
1 |
SF2N2O3C13H20 |
AB2C2D3E13F20 |
-212.8 |
4.63 |
-9.11 |
-0.78 |
0 |
|
|
278928 |
103839942 |
1 |
BrN3O3C13H20 |
AB3C3D13E20 |
-117.72 |
2.15 |
-8.71 |
-0.99 |
0 |
|
|
278929 |
103839944 |
1 |
O2N4C13H24 |
A2B4C13D24 |
-78.37 |
1.8 |
-8.77 |
0.32 |
0 |
|
|
278930 |
103839948 |
1 |
SN3O3C13H21 |
AB3C3D13E21 |
-125.84 |
3.09 |
-8.68 |
-0.87 |
0 |
|
|
278931 |
103839949 |
1 |
ClN2O2C13H19 |
AB2C2D13E19 |
-82.66 |
3.23 |
-8.76 |
-0.72 |
0 |
|
|
278932 |
103839954 |
1 |
N2O3C11H24 |
A2B3C11D24 |
-160.1 |
2.13 |
-8.76 |
1.03 |
0 |
|
|
278933 |
103839955 |
1 |
N3O3C11H21 |
A3B3C11D21 |
-147.28 |
1.14 |
-8.82 |
0.59 |
0 |
|
|
278934 |
103839963 |
1 |
N2O2C15H26 |
A2B2C15D26 |
-77.83 |
2.69 |
-8.98 |
1.12 |
0 |
|
|
278935 |
103839971 |
1 |
ClSN2O2C14H21 |
ABC2D2E14F21 |
-82.77 |
4.68 |
-8.66 |
-0.9 |
0 |
|
|
278936 |
103839974 |
1 |
N3O5C11H17 |
A3B5C11D17 |
-100.08 |
5.52 |
-9.21 |
-1.72 |
0 |
|
|
278937 |
103839983 |
2 |
NOC5H10 |
ABC5D10 |
-98.26 |
3.64 |
-8.87 |
0.27 |
0 |
|
|
278938 |
103839988 |
1 |
N2O3C16H26 |
A2B3C16D26 |
-133.52 |
3.5 |
-8.51 |
0.36 |
0 |
|
|
278939 |
103840005 |
1 |
N3O4C14H21 |
A3B4C14D21 |
-89.38 |
7.35 |
-8.65 |
-1.55 |
0 |
|
|
278940 |
103840007 |
1 |
O2N5C11H21 |
A2B5C11D21 |
-54.91 |
4.34 |
-8.86 |
0.13 |
0 |
|
|
278941 |
103840008 |
1 |
N3O3C14H23 |
A3B3C14D23 |
-124.06 |
2.64 |
-8.92 |
-0.03 |
0 |
|
|
278942 |
103840009 |
1 |
SN3O3C14H23 |
AB3C3D14E23 |
-120.36 |
5.4 |
-8.69 |
-0.98 |
0 |
|
|
278943 |
103840021 |
1 |
BrN2O3C15H23 |
AB2C3D15E23 |
-155.19 |
5.3 |
-8.76 |
0.23 |
0 |
|
|
278944 |
103840034 |
1 |
ClO2N4C14H23 |
AB2C4D14E23 |
-76.48 |
0.59 |
-8.72 |
-0.54 |
0 |
|
|
278945 |
103840037 |
1 |
N2O3C14H24 |
A2B3C14D24 |
-141.06 |
4.05 |
-8.82 |
0.33 |
0 |
|
|
278946 |
103840040 |
1 |
BrN2O3C15H23 |
AB2C3D15E23 |
-119.1 |
3.24 |
-8.8 |
-0.27 |
0 |
|
|
278947 |
103840041 |
2 |
ON2C7H12 |
AB2C7D12 |
-66.55 |
4.11 |
-8.62 |
-0.42 |
0 |
|
|
278948 |
103840042 |
1 |
Br2N2O3C14H20 |
A2B2C3D14E20 |
-101.05 |
5.55 |
-8.86 |
-0.5 |
0 |
|
|
278949 |
103840047 |
1 |
N2O3C15H22 |
A2B3C15D22 |
-111.72 |
3.55 |
-8.75 |
-0.59 |
0 |
|
|
278950 |
103840048 |
1 |
N2O3C15H20 |
A2B3C15D20 |
-92.53 |
3.58 |
-9.02 |
-0.55 |
0 |
|
|
278951 |
103840049 |
1 |
O2F3N3C10H20 |
A2B3C3D10E20 |
-263.73 |
6.11 |
-8.9 |
0.49 |
0 |
|
|
278952 |
103840051 |
1 |
N2O3C9H20 |
A2B3C9D20 |
-159.62 |
2.77 |
-8.94 |
1.02 |
0 |
|
|
278953 |
103840059 |
1 |
FN2O2C15H23 |
AB2C2D15E23 |
-134.99 |
3.27 |
-8.76 |
-0.16 |
0 |
|
|
278954 |
103840063 |
1 |
ClO2N3C12H18 |
AB2C3D12E18 |
-71.64 |
3.05 |
-8.74 |
-1.14 |
0 |
|
|
278955 |
103840066 |
1 |
O2N3C16H21 |
A2B3C16D21 |
-46.98 |
2.58 |
-8.7 |
-1.11 |
0 |
|
|
278956 |
103840072 |
1 |
O2N4C11H18 |
A2B4C11D18 |
-48.89 |
3.57 |
-8.77 |
-1.3 |
0 |
|
|
278957 |
103840078 |
1 |
O2N3C9H21 |
A2B3C9D21 |
-105.09 |
5.56 |
-8.99 |
1.19 |
0 |
|
|
278958 |
103840084 |
1 |
ClSN2O2C15H23 |
ABC2D2E15F23 |
-93.77 |
5.03 |
-8.74 |
-0.45 |
0 |
|
|
278959 |
103840085 |
1 |
ClN2O3C15H23 |
AB2C3D15E23 |
-134.89 |
2.29 |
-8.76 |
-0.14 |
0 |
|
|
278960 |
103840090 |
1 |
ClN2O2C14H21 |
AB2C2D14E21 |
-92.39 |
1.99 |
-8.76 |
-0.26 |
0 |
|
|
278961 |
103840116 |
1 |
BrFN2O2C13H18 |
ABC2D2E13F18 |
-120.39 |
4.66 |
-9.13 |
-0.79 |
0 |
|
|
278962 |
103840139 |
1 |
BrFN2O2C13H18 |
ABC2D2E13F18 |
-119.4 |
5.12 |
-9.14 |
-0.68 |
0 |
|
|
278963 |
103840147 |
1 |
ClFN2O2C13H18 |
ABC2D2E13F18 |
-128.68 |
3.25 |
-8.8 |
-0.92 |
0 |
|
|
278964 |
103840148 |
1 |
N2O3C15H22 |
A2B3C15D22 |
-112.57 |
2.96 |
-8.76 |
-0.29 |
0 |
|
|
278965 |
103840165 |
2 |
ClNOC7H10 |
ABCD7E10 |
-104.19 |
5.62 |
-9.02 |
-0.64 |
0 |
|
|
278966 |
103840170 |
1 |
ClN3O4C13H18 |
AB3C4D13E18 |
-86.59 |
4.1 |
-8.99 |
-1.71 |
0 |
|
|
278967 |
103840172 |
1 |
BrN2O3C14H21 |
AB2C3D14E21 |
-112.95 |
2.37 |
-9.07 |
-0.34 |
0 |
|
|
278968 |
103840177 |
1 |
O2N3C14H23 |
A2B3C14D23 |
-88.95 |
4.16 |
-8.98 |
-0.24 |
0 |
|
|
278969 |
103840178 |
1 |
SN2O2C15H24 |
AB2C2D15E24 |
-80.59 |
2.76 |
-8.75 |
-0.34 |
0 |
|
|
278970 |
103840181 |
1 |
N2O3C16H26 |
A2B3C16D26 |
-126.74 |
4.82 |
-8.66 |
0.41 |
0 |
|
|
278971 |
103840189 |
1 |
N2O3C12H20 |
A2B3C12D20 |
-117.63 |
3.23 |
-8.87 |
-0.17 |
0 |
|
|
278972 |
103840190 |
1 |
FN2O3C14H21 |
AB2C3D14E21 |
-158.79 |
0.74 |
-8.96 |
-0.21 |
0 |
|
|
278973 |
103840191 |
1 |
N2O3C16H26 |
A2B3C16D26 |
-133.1 |
1.89 |
-8.74 |
0.18 |
0 |
|
|
278974 |
103840192 |
1 |
BrFN2O2C13H18 |
ABC2D2E13F18 |
-115.26 |
3.35 |
-8.81 |
-1.06 |
0 |
|
|
278975 |
103840204 |
1 |
ClN2O3C11H17 |
AB2C3D11E17 |
-108.94 |
3.41 |
-9.09 |
-0.5 |
0 |
|
|
278976 |
103840215 |
2 |
NOC7H11 |
ABC7D11 |
-85.47 |
4.67 |
-9.07 |
0.26 |
0 |
|
|
278977 |
103840219 |
1 |
N2O4C15H22 |
A2B4C15D22 |
-147.13 |
4.32 |
-8.71 |
-0.55 |
0 |
|
|
278978 |
103840227 |
1 |
N2O3C16H22 |
A2B3C16D22 |
-99.71 |
1.95 |
-8.75 |
-0.74 |
0 |
|
|
278979 |
103840233 |
1 |
O2N4C13H18 |
A2B4C13D18 |
-32.23 |
4.64 |
-9.08 |
-1.49 |
0 |
|
|
278980 |
103840257 |
1 |
NO2C13H23 |
AB2C13D23 |
-108.36 |
2.26 |
-9.02 |
1.18 |
0 |
|
|
278981 |
103840268 |
1 |
BrFNO2C14H17 |
ABCD2E14F17 |
-123.86 |
4.61 |
-9.5 |
-0.74 |
0 |
|
|
278982 |
103840272 |
1 |
BrClNO2C14H17 |
ABCD2E14F17 |
-87.4 |
4.84 |
-9.54 |
-0.84 |
0 |
|
|
278983 |
103840273 |
1 |
NF3O3C12H20 |
AB3C3D12E20 |
-321.23 |
2.97 |
-9.56 |
0.82 |
0 |
|
|
278984 |
103840281 |
1 |
NO2C13H23 |
AB2C13D23 |
-114.59 |
4.79 |
-9.21 |
1.19 |
0 |
|
|
278985 |
103840284 |
1 |
O2N3C12H19 |
A2B3C12D19 |
-67.0 |
6.5 |
-9.07 |
0.22 |
0 |
|
|
278986 |
103840285 |
1 |
NO3C12H23 |
AB3C12D23 |
-161.88 |
5.31 |
-9.23 |
1.2 |
0 |
|
|
278987 |
103840299 |
1 |
FON3C12H16 |
ABC3D12E16 |
-64.82 |
7.39 |
-9.18 |
-0.46 |
0 |
|
|
278988 |
103840300 |
2 |
NOC8H13 |
ABC8D13 |
-92.76 |
5.1 |
-8.7 |
0.42 |
0 |
|
|
278989 |
103840305 |
1 |
SN3O3C11H25 |
AB3C3D11E25 |
-163.02 |
7.16 |
-9.57 |
0.92 |
0 |
|
|
278990 |
103840309 |
1 |
N2O2C13H24 |
A2B2C13D24 |
-105.49 |
3.96 |
-8.99 |
1.02 |
0 |
|
|
278991 |
103840322 |
1 |
N2O2C13H26 |
A2B2C13D26 |
-115.38 |
4.23 |
-9.12 |
1.33 |
0 |
|
|
278992 |
103840328 |
2 |
NOC7H13 |
ABC7D13 |
-121.84 |
4.67 |
-8.79 |
1.13 |
0 |
|
|
278993 |
103840339 |
1 |
ON2C13H26 |
AB2C13D26 |
-65.52 |
1.87 |
-9.38 |
1.32 |
0 |
|
|
278994 |
103840342 |
1 |
ON2C14H26 |
AB2C14D26 |
-71.78 |
3.39 |
-8.79 |
1.27 |
0 |
|
|
278995 |
103840343 |
1 |
SN2O3C12H22 |
AB2C3D12E22 |
-140.19 |
7.81 |
-9.4 |
0.67 |
0 |
|
|
278996 |
103840399 |
1 |
ON3C13H25 |
AB3C13D25 |
-64.14 |
3.69 |
-8.69 |
1.26 |
0 |
|
|
278997 |
103840407 |
1 |
OSN3C13H21 |
ABC3D13E21 |
-35.12 |
4.31 |
-8.79 |
-0.63 |
0 |
|
|
278998 |
103840415 |
1 |
FION2C15H18 |
ABCD2E15F18 |
-52.38 |
4.32 |
-9.23 |
-1.42 |
0 |
|
|
278999 |
103840418 |
1 |
ON2F4C11H16 |
AB2C4D11E16 |
-245.49 |
3.95 |
-9.51 |
0.02 |
0 |