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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
130007 |
51074586 |
1 |
ON3C18H25 |
AB3C18D25 |
-2.1 |
5.54 |
-9.04 |
-0.03 |
0 |
|
|
130008 |
51074588 |
1 |
SF2O3N5H9C12 |
AB2C3D5E9F12 |
-96.62 |
7.22 |
-10.14 |
-1.47 |
0 |
|
|
130009 |
51074590 |
1 |
SN3O3C15H21 |
AB3C3D15E21 |
-122.3 |
2.89 |
-9.2 |
-0.44 |
0 |
|
|
130010 |
51074593 |
1 |
O3N4C15H22 |
A3B4C15D22 |
-99.96 |
1.41 |
-9.37 |
-0.54 |
0 |
|
|
130011 |
51074596 |
1 |
NO3C15H19 |
AB3C15D19 |
-106.0 |
2.16 |
-8.9 |
0.15 |
0 |
|
|
130012 |
51074597 |
1 |
NO3C12H17 |
AB3C12D17 |
-107.0 |
2.96 |
-9.22 |
-0.18 |
0 |
|
|
130013 |
51074603 |
1 |
SO3N4C16H16 |
AB3C4D16E16 |
-53.86 |
6.24 |
-9.28 |
-0.94 |
0 |
|
|
130014 |
51074610 |
3 |
NOC6H9 |
ABC6D9 |
-108.48 |
3.2 |
-9.27 |
-0.33 |
0 |
|
|
130015 |
51074614 |
1 |
OF3N6H9C13 |
AB3C6D9E13 |
-68.99 |
5.64 |
-9.56 |
-1.73 |
0 |
|
|
130016 |
51074618 |
1 |
N3O3C17H25 |
A3B3C17D25 |
-95.45 |
2.61 |
-8.92 |
0.22 |
0 |
|
|
130017 |
51074620 |
1 |
SN3O4C14H19 |
AB3C4D14E19 |
-134.82 |
3.47 |
-9.4 |
-1.13 |
0 |
|
|
130018 |
51074621 |
1 |
O2N3C19H31 |
A2B3C19D31 |
-126.67 |
0.57 |
-9.09 |
0.85 |
0 |
|
|
130019 |
51074626 |
1 |
O2N3C17H27 |
A2B3C17D27 |
-111.98 |
3.52 |
-8.96 |
0.69 |
0 |
|
|
130020 |
51074636 |
1 |
ON6C17H26 |
AB6C17D26 |
14.08 |
6.07 |
-8.83 |
-0.92 |
0 |
|
|
130021 |
51074648 |
1 |
ClN2O2C12H17 |
AB2C2D12E17 |
-88.77 |
3.93 |
-8.8 |
-0.16 |
0 |
|
|
130022 |
51074651 |
1 |
ClN2O2C12H17 |
AB2C2D12E17 |
-90.71 |
1.35 |
-8.66 |
-0.07 |
0 |
|
|
130023 |
51074657 |
1 |
ClFN2O2C11H14 |
ABC2D2E11F14 |
-127.42 |
6.21 |
-9.01 |
-0.38 |
0 |
|
|
130024 |
51074658 |
1 |
N2O4C13H20 |
A2B4C13D20 |
-151.23 |
4.66 |
-8.42 |
0.13 |
0 |
|
|
130025 |
51074660 |
1 |
FN2O2C12H17 |
AB2C2D12E17 |
-128.84 |
4.73 |
-8.71 |
0.11 |
0 |
|
|
130026 |
51074664 |
1 |
O2N5C18H27 |
A2B5C18D27 |
-33.45 |
5.26 |
-9.3 |
-0.73 |
0 |
|
|
130027 |
51074665 |
1 |
SO2N3C17H23 |
AB2C3D17E23 |
-77.09 |
3.36 |
-8.45 |
-0.14 |
0 |
|
|
130028 |
51074669 |
1 |
N3O3C19H23 |
A3B3C19D23 |
-76.14 |
1.56 |
-8.79 |
-0.18 |
0 |
|
|
130029 |
51074674 |
1 |
O2N3C16H25 |
A2B3C16D25 |
-77.51 |
6.75 |
-8.29 |
0.23 |
0 |
|
|
130030 |
51074675 |
1 |
F2N2O3C15H20 |
A2B2C3D15E20 |
-200.26 |
3.08 |
-9.0 |
-0.39 |
0 |
|
|
130031 |
51074676 |
1 |
SN2O5C14H22 |
AB2C5D14E22 |
-188.12 |
4.24 |
-9.38 |
0.32 |
0 |
|
|
130032 |
51074693 |
1 |
N3O4C18H25 |
A3B4C18D25 |
-153.05 |
7.37 |
-8.78 |
-0.15 |
0 |
|
|
130033 |
51074695 |
1 |
N3O3C16H23 |
A3B3C16D23 |
-103.29 |
3.74 |
-8.69 |
0.17 |
0 |
|
|
130034 |
51074698 |
1 |
ON4C19H22 |
AB4C19D22 |
20.24 |
4.42 |
-8.84 |
-0.17 |
0 |
|
|
130035 |
51074700 |
1 |
N3O3C19H29 |
A3B3C19D29 |
-119.5 |
4.33 |
-8.61 |
0.0 |
0 |
|
|
130036 |
51074701 |
1 |
N2O4C15H20 |
A2B4C15D20 |
-166.49 |
1.75 |
-9.44 |
-0.06 |
0 |
|
|
130037 |
51074704 |
1 |
N2O2C13H18 |
A2B2C13D18 |
-67.11 |
2.96 |
-8.83 |
0.05 |
0 |
|
|
130038 |
51074708 |
1 |
O2N3C12H17 |
A2B3C12D17 |
-19.73 |
4.14 |
-9.1 |
-0.05 |
0 |
|
|
130039 |
51074709 |
1 |
O2N3C11H15 |
A2B3C11D15 |
-6.59 |
3.04 |
-9.36 |
-0.16 |
0 |
|
|
130040 |
51074716 |
1 |
ON3C12H21 |
AB3C12D21 |
-25.58 |
5.66 |
-8.97 |
-0.04 |
0 |
|
|
130041 |
51074724 |
1 |
FOSN2C13H13 |
ABCD2E13F13 |
-32.65 |
3.05 |
-9.44 |
-0.63 |
0 |
|
|
130042 |
51074726 |
1 |
SN2O2C13H20 |
AB2C2D13E20 |
-58.79 |
1.47 |
-8.59 |
-0.08 |
0 |
|
|
130043 |
51074728 |
1 |
N2O3C17H24 |
A2B3C17D24 |
-138.94 |
4.61 |
-9.19 |
0.08 |
0 |
|
|
130044 |
51074729 |
1 |
NO3C14H19 |
AB3C14D19 |
-115.75 |
4.48 |
-9.0 |
-0.23 |
0 |
|
|
130045 |
51074730 |
2 |
NSO2C7H10 |
ABC2D7E10 |
-126.01 |
7.44 |
-9.3 |
-1.08 |
0 |
|
|
130046 |
51074732 |
1 |
FN2O2C14H19 |
AB2C2D14E19 |
-104.55 |
2.6 |
-8.86 |
-0.14 |
0 |
|
|
130047 |
51074745 |
1 |
N3O5H15C17 |
A3B5C15D17 |
-53.32 |
9.05 |
-9.14 |
-1.31 |
0 |
|
|
130048 |
51074752 |
1 |
N2O5C15H18 |
A2B5C15D18 |
-187.37 |
2.48 |
-9.54 |
-1.06 |
0 |
|
|
130049 |
51074754 |
1 |
SN2O2C16H18 |
AB2C2D16E18 |
-39.76 |
6.55 |
-8.68 |
-1.23 |
0 |
|
|
130050 |
51074759 |
1 |
OSN6C14H18 |
ABC6D14E18 |
57.14 |
4.35 |
-9.4 |
-1.51 |
0 |
|
|
130051 |
51074762 |
1 |
SO2N4C17H18 |
AB2C4D17E18 |
-14.46 |
3.04 |
-8.95 |
-0.94 |
0 |
|
|
130052 |
51074764 |
1 |
FNO2C13H18 |
ABC2D13E18 |
-107.92 |
1.54 |
-8.84 |
-0.01 |
0 |
|
|
130053 |
51074768 |
1 |
NO2C14H21 |
AB2C14D21 |
-73.25 |
2.61 |
-8.51 |
0.36 |
0 |
|
|
130054 |
51074769 |
1 |
NOF2C12H15 |
ABC2D12E15 |
-115.61 |
2.46 |
-9.11 |
-0.37 |
0 |
|
|
130055 |
51074770 |
1 |
SN2O2C13H16 |
AB2C2D13E16 |
3.74 |
2.67 |
-9.12 |
-1.07 |
0 |
|
|
130056 |
51074794 |
1 |
ON4H14C18 |
AB4C14D18 |
104.52 |
5.16 |
-9.11 |
-0.75 |
0 |
|
|
130057 |
51074802 |
1 |
O3N4C18H20 |
A3B4C18D20 |
-44.83 |
4.53 |
-8.87 |
-0.87 |
0 |
|
|
130058 |
51074803 |
1 |
N3O4C16H23 |
A3B4C16D23 |
-137.09 |
3.49 |
-9.51 |
-0.99 |
0 |
|
|
130059 |
51074807 |
1 |
FNO3C16H18 |
ABC3D16E18 |
-126.92 |
4.01 |
-9.25 |
-0.41 |
0 |
|
|
130060 |
51074808 |
1 |
ClNF2O3H14C15 |
ABC2D3E14F15 |
-169.47 |
2.37 |
-9.22 |
-1.16 |
0 |
|
|
130061 |
51074812 |
1 |
ON2F3H13C16 |
AB2C3D13E16 |
-148.02 |
2.4 |
-9.05 |
-1.17 |
0 |
|
|
130062 |
51074815 |
1 |
N2O3C17H18 |
A2B3C17D18 |
-60.77 |
5.24 |
-8.67 |
-0.3 |
0 |
|
|
130063 |
51074817 |
1 |
ON5H15C16 |
AB5C15D16 |
80.62 |
5.47 |
-9.32 |
-0.81 |
0 |
|
|
130064 |
51074818 |
1 |
ON3S3C15H15 |
AB3C3D15E15 |
36.96 |
5.07 |
-9.05 |
-1.31 |
0 |
|
|
130065 |
51074821 |
1 |
OSN4C16H16 |
ABC4D16E16 |
55.96 |
3.0 |
-9.21 |
-0.44 |
0 |
|
|
130066 |
51074824 |
1 |
O2N4C19H22 |
A2B4C19D22 |
-3.06 |
5.81 |
-9.24 |
-0.78 |
0 |
|
|
130067 |
51074827 |
1 |
N3O3C19H19 |
A3B3C19D19 |
-75.64 |
5.89 |
-8.91 |
-0.39 |
0 |
|
|
130068 |
51074833 |
2 |
ON2C7H9 |
AB2C7D9 |
-62.75 |
7.09 |
-8.76 |
-0.3 |
0 |
|
|
130069 |
51074834 |
1 |
ClF3N3O3H9C10 |
AB3C3D3E9F10 |
-283.09 |
5.82 |
-9.55 |
-1.17 |
0 |
|
|
130070 |
51074836 |
1 |
ON7C15H19 |
AB7C15D19 |
34.9 |
1.22 |
-8.48 |
-0.13 |
0 |
|
|
130071 |
51074837 |
1 |
SN2O3C17H24 |
AB2C3D17E24 |
-107.48 |
3.37 |
-9.28 |
-0.31 |
0 |
|
|
130072 |
51074838 |
1 |
OF3N6C14H15 |
AB3C6D14E15 |
-65.44 |
11.0 |
-9.56 |
-1.35 |
0 |
|
|
130073 |
51074839 |
1 |
O3N5C15H19 |
A3B5C15D19 |
-51.08 |
9.15 |
-9.56 |
-0.56 |
0 |
|
|
130074 |
51074844 |
1 |
N5H15C17 |
A5B15C17 |
137.44 |
6.57 |
-8.84 |
-0.69 |
0 |
|
|
130075 |
51074845 |
1 |
ClON4C13H13 |
ABC4D13E13 |
21.19 |
3.02 |
-9.52 |
-1.45 |
0 |
|
|
130076 |
51074846 |
1 |
FN2O2C20H21 |
AB2C2D20E21 |
-87.29 |
3.83 |
-9.06 |
-0.4 |
0 |
|
|
130077 |
51074850 |
1 |
FON4C19H19 |
ABC4D19E19 |
-14.51 |
3.15 |
-9.29 |
-0.13 |
0 |
|
|
130078 |
51074852 |
1 |
SN2O4C16H24 |
AB2C4D16E24 |
-165.6 |
2.81 |
-8.64 |
0.25 |
0 |
|
|
130079 |
51074853 |
1 |
N3O3C18H19 |
A3B3C18D19 |
-21.25 |
5.57 |
-9.21 |
-1.21 |
0 |
|
|
130080 |
51074855 |
1 |
N2O3C17H20 |
A2B3C17D20 |
-19.73 |
2.75 |
-9.56 |
-0.39 |
0 |
|
|
130081 |
51074862 |
1 |
SO3N4C12H14 |
AB3C4D12E14 |
-111.62 |
8.23 |
-9.38 |
-0.85 |
0 |
|
|
130082 |
51074872 |
1 |
SO2N4C16H20 |
AB2C4D16E20 |
5.08 |
4.3 |
-8.86 |
-0.46 |
0 |
|
|
130083 |
51074884 |
1 |
ON4C17H18 |
AB4C17D18 |
33.41 |
5.03 |
-9.33 |
-0.71 |
0 |
|
|
130084 |
51074885 |
1 |
FOSN4C15H17 |
ABCD4E15F17 |
-23.09 |
2.39 |
-8.89 |
-0.42 |
0 |
|
|
130085 |
51074886 |
2 |
ON2C9H10 |
AB2C9D10 |
-3.72 |
7.44 |
-9.1 |
-0.97 |
0 |
|
|
130086 |
51074891 |
1 |
N2O2F3H15C16 |
A2B2C3D15E16 |
-141.29 |
6.25 |
-9.87 |
-0.63 |
0 |
|
|
130087 |
51074902 |
1 |
O3N4C17H22 |
A3B4C17D22 |
-116.0 |
4.03 |
-8.82 |
-0.25 |
0 |
|
|
130088 |
51074904 |
1 |
ON3C12H19 |
AB3C12D19 |
-28.69 |
3.78 |
-9.07 |
0.41 |
0 |
|
|
130089 |
51074905 |
1 |
N2O3C12H18 |
A2B3C12D18 |
-59.96 |
1.15 |
-9.8 |
-0.53 |
0 |
|
|
130090 |
51074906 |
1 |
N3O3C17H27 |
A3B3C17D27 |
-152.66 |
6.12 |
-8.65 |
0.63 |
0 |
|
|
130091 |
51074911 |
1 |
ClOSN3C12H14 |
ABCD3E12F14 |
15.16 |
4.18 |
-9.24 |
-0.44 |
0 |
|
|
130092 |
51074913 |
2 |
NOH8C9 |
ABC8D9 |
3.67 |
3.87 |
-9.16 |
-0.63 |
0 |
|
|
130093 |
51074916 |
1 |
O3N4C17H26 |
A3B4C17D26 |
-125.25 |
2.58 |
-8.6 |
-1.07 |
0 |
|
|
130094 |
51074918 |
1 |
O2N4C17H30 |
A2B4C17D30 |
-84.64 |
4.43 |
-8.62 |
-0.95 |
0 |
|
|
130095 |
51074921 |
1 |
O2N3C16H21 |
A2B3C16D21 |
-36.7 |
2.39 |
-8.77 |
0.38 |
0 |
|
|
130096 |
51074923 |
1 |
SN2O3C15H26 |
AB2C3D15E26 |
-131.04 |
6.82 |
-9.04 |
0.4 |
0 |
|
|
130097 |
51074924 |
1 |
O2N3C16H21 |
A2B3C16D21 |
-65.74 |
4.8 |
-8.99 |
-0.2 |
0 |
|
|
130098 |
51074925 |
1 |
ON2F3C12H17 |
AB2C3D12E17 |
-184.67 |
5.29 |
-9.11 |
-0.38 |
0 |
|
|
130099 |
51074926 |
1 |
N2O2C17H20 |
A2B2C17D20 |
-25.44 |
4.05 |
-8.74 |
-0.33 |
0 |
|
|
130100 |
51074927 |
1 |
FN2O2C16H23 |
AB2C2D16E23 |
-117.87 |
3.55 |
-8.72 |
-0.07 |
0 |
|
|
130101 |
51074928 |
1 |
N2O2C17H22 |
A2B2C17D22 |
-48.65 |
6.31 |
-8.62 |
-0.3 |
0 |
|
|
130102 |
51074930 |
1 |
ClFSN2O3C13H16 |
ABCD2E3F13G16 |
-165.74 |
3.76 |
-9.7 |
-0.8 |
0 |
|
|
130103 |
51074934 |
1 |
O2N5C18H23 |
A2B5C18D23 |
-29.16 |
8.38 |
-9.59 |
-0.42 |
0 |
|
|
130104 |
51074938 |
1 |
SO2N3C10H15 |
AB2C3D10E15 |
-42.8 |
3.31 |
-8.75 |
-0.34 |
0 |
|
|
130105 |
51074943 |
1 |
OSN6C14H14 |
ABC6D14E14 |
78.17 |
5.91 |
-9.45 |
-0.92 |
0 |
|
|
130106 |
51074944 |
1 |
S3N4H10C13 |
A3B4C10D13 |
138.03 |
5.92 |
-8.64 |
-1.07 |
0 |