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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
388006 |
134987826 |
1 |
ClNC12H16 |
ABC12D16 |
15.42 |
3.43 |
-8.58 |
0.58 |
0 |
|
|
388007 |
134987833 |
1 |
ON2C10H18 |
AB2C10D18 |
-21.01 |
3.77 |
-8.56 |
0.98 |
0 |
|
|
388008 |
134987847 |
1 |
O2C11H20 |
A2B11C20 |
-116.4 |
2.53 |
-9.83 |
0.58 |
0 |
|
|
388010 |
134987850 |
1 |
OC11H18 |
AB11C18 |
-63.3 |
3.15 |
-9.83 |
0.74 |
0 |
|
|
388011 |
134987851 |
1 |
O4C11H16 |
A4B11C16 |
-131.23 |
2.52 |
-8.42 |
0.25 |
0 |
|
|
388012 |
134987857 |
1 |
N2O5C10H12 |
A2B5C10D12 |
-168.1 |
10.65 |
-9.86 |
-0.7 |
0 |
|
|
388013 |
134987860 |
1 |
STeC13H18 |
ABC13D18 |
20.4 |
2.78 |
-7.96 |
-0.21 |
0 |
|
|
388014 |
134987861 |
1 |
SSeC14H26 |
ABC14D26 |
-24.87 |
1.15 |
-8.16 |
0.28 |
0 |
|
|
388015 |
134987862 |
1 |
ClSSeC12H15 |
ABCD12E15 |
20.37 |
3.41 |
-8.56 |
-0.47 |
0 |
|
|
388016 |
134987867 |
1 |
O3C14H16 |
A3B14C16 |
-97.85 |
2.03 |
-10.01 |
-0.75 |
0 |
|
|
388017 |
134987871 |
1 |
NO2C14H15 |
AB2C14D15 |
-7.03 |
6.07 |
-9.51 |
-0.3 |
0 |
|
|
388018 |
134987874 |
2 |
BrCNO2 |
ABCD2 |
9.37 |
0.06 |
-11.26 |
-2.56 |
0 |
|
|
388019 |
134987875 |
1 |
O2N3C12H15 |
A2B3C12D15 |
-19.39 |
3.55 |
-9.72 |
-0.3 |
0 |
|
|
388020 |
134987876 |
1 |
OC10H18 |
AB10C18 |
-32.79 |
2.21 |
-9.07 |
1.2 |
0 |
|
|
388021 |
134987877 |
1 |
NC14H27 |
AB14C27 |
0.03 |
1.49 |
-8.22 |
1.87 |
0 |
|
|
388022 |
134987879 |
1 |
O2C13H22 |
A2B13C22 |
-121.47 |
3.1 |
-9.59 |
0.92 |
0 |
|
|
388023 |
134987880 |
3 |
OC5H8 |
AB5C8 |
-126.05 |
5.14 |
-9.76 |
0.7 |
0 |
|
|
388024 |
134987881 |
1 |
O3C11H18 |
A3B11C18 |
-161.0 |
4.07 |
-9.7 |
0.48 |
0 |
|
|
388025 |
134987882 |
1 |
OC14H14 |
AB14C14 |
-2.1 |
3.25 |
-9.38 |
0.36 |
0 |
|
|
388026 |
134987883 |
2 |
OC7H11 |
AB7C11 |
-111.76 |
1.26 |
-9.83 |
0.35 |
0 |
|
|
388027 |
134987886 |
2 |
OC8H11 |
AB8C11 |
-70.11 |
0.43 |
-9.46 |
0.14 |
0 |
|
|
388028 |
134987889 |
1 |
PO3C8H15 |
AB3C8D15 |
-157.49 |
5.52 |
-10.82 |
0.68 |
0 |
|
|
388029 |
134987891 |
1 |
ClN3C9H10 |
AB3C9D10 |
68.63 |
9.08 |
-9.18 |
-1.03 |
0 |
|
|
388030 |
134987902 |
2 |
NCl2C3H5 |
AB2C3D5 |
-28.7 |
0.73 |
-8.5 |
-1.06 |
0 |
|
|
388031 |
134987903 |
1 |
N2Cl3C6H9 |
A2B3C6D9 |
-11.15 |
2.99 |
-9.09 |
-0.59 |
0 |
|
|
388032 |
134987906 |
1 |
SSeC12H16 |
ABC12D16 |
31.11 |
1.72 |
-8.26 |
0.02 |
0 |
|
|
388033 |
134987910 |
1 |
INSi2C10H22 |
ABC2D10E22 |
-32.78 |
1.14 |
-8.91 |
-0.62 |
0 |
|
|
388035 |
134987914 |
1 |
SeC16H24 |
AB16C24 |
-6.32 |
1.31 |
-8.18 |
0.06 |
0 |
|
|
388036 |
134987918 |
1 |
O4C11H20 |
A4B11C20 |
-191.0 |
2.87 |
-10.11 |
0.25 |
0 |
|
|
388037 |
134987923 |
2 |
O3C6H7 |
A3B6C7 |
-221.04 |
4.1 |
-10.26 |
-0.94 |
0 |
|
|
388038 |
134987927 |
1 |
HN2C5F9 |
AB2C5D9 |
-417.46 |
1.83 |
-10.81 |
-1.51 |
0 |
|
|
388039 |
134987932 |
1 |
NO3C7H13 |
AB3C7D13 |
-104.34 |
2.88 |
-9.38 |
0.16 |
0 |
|
|
388040 |
134987934 |
1 |
INO2C15H18 |
ABC2D15E18 |
-21.13 |
5.62 |
-9.76 |
-1.64 |
0 |
|
|
388041 |
134987935 |
1 |
NO2C9H17 |
AB2C9D17 |
-121.39 |
6.14 |
-9.75 |
0.68 |
0 |
|
|
388042 |
134987937 |
1 |
ClSN2O4C9H15 |
ABC2D4E9F15 |
-199.07 |
5.64 |
-9.48 |
-0.54 |
0 |
|
|
388043 |
134987938 |
1 |
ON2C14H20 |
AB2C14D20 |
-21.97 |
3.51 |
-9.43 |
0.11 |
0 |
|
|
388044 |
134987946 |
1 |
NC10H17 |
AB10C17 |
26.4 |
3.49 |
-9.95 |
0.3 |
0 |
|
|
388045 |
134987949 |
1 |
BrNOH8C9 |
ABCD8E9 |
-14.25 |
4.19 |
-9.92 |
-0.91 |
0 |
|
|
388046 |
134987957 |
1 |
ClNO2H8C10 |
ABC2D8E10 |
-43.84 |
3.38 |
-9.89 |
-0.93 |
0 |
|
|
388047 |
134987959 |
1 |
O2C13H26 |
A2B13C26 |
-146.49 |
2.19 |
-10.5 |
0.98 |
0 |
|
|
388048 |
134987962 |
1 |
O3C13H20 |
A3B13C20 |
-148.28 |
2.74 |
-9.97 |
0.74 |
0 |
|
|
388049 |
134987963 |
1 |
O2C15H22 |
A2B15C22 |
-103.51 |
1.99 |
-9.21 |
0.33 |
0 |
|
|
388050 |
134987971 |
1 |
IO2C8H15 |
AB2C8D15 |
-99.85 |
3.22 |
-9.66 |
-1.12 |
0 |
|
|
388051 |
134987973 |
1 |
NSO2C11H15 |
ABC2D11E15 |
-67.16 |
2.34 |
-9.38 |
0.05 |
0 |
|
|
388052 |
134987975 |
1 |
IO3C9H17 |
AB3C9D17 |
-151.98 |
3.6 |
-10.13 |
-1.46 |
0 |
|
|
388053 |
134987977 |
1 |
ClNSO2H10C12 |
ABCD2E10F12 |
8.92 |
4.22 |
-10.18 |
-0.86 |
0 |
|
|
388054 |
134987979 |
1 |
NO3C14H17 |
AB3C14D17 |
-106.81 |
5.01 |
-10.16 |
-0.73 |
0 |
|
|
388055 |
134987982 |
1 |
NO3C11H19 |
AB3C11D19 |
-153.4 |
4.55 |
-10.22 |
0.08 |
0 |
|
|
388056 |
134987988 |
1 |
SO2C16H22 |
AB2C16D22 |
-85.49 |
3.39 |
-8.84 |
-0.39 |
0 |
|
|
388057 |
134987994 |
1 |
ClNOH8C9 |
ABCD8E9 |
-5.96 |
4.71 |
-9.98 |
-0.38 |
0 |
|
|
388058 |
134987995 |
1 |
NO2C10H19 |
AB2C10D19 |
-109.87 |
3.15 |
-9.74 |
0.59 |
0 |
|
|
388059 |
134987997 |
1 |
NO3C8H15 |
AB3C8D15 |
-112.52 |
3.26 |
-9.37 |
0.47 |
0 |
|
|
388060 |
134988006 |
1 |
OSiC2H3Cl5 |
ABC2D3E5 |
-176.42 |
2.12 |
-11.31 |
-0.89 |
0 |
|
|
388061 |
134988007 |
1 |
NOSiC13H27 |
ABCD13E27 |
-93.87 |
2.27 |
-8.95 |
1.13 |
0 |
|
|
388062 |
134988008 |
1 |
BrO3C10H17 |
AB3C10D17 |
-169.68 |
5.36 |
-10.51 |
-0.65 |
0 |
|
|
388063 |
134988013 |
1 |
NOC7H9 |
ABC7D9 |
-5.59 |
3.96 |
-9.45 |
0.14 |
0 |
|
|
388064 |
134988020 |
1 |
O2C13H16 |
A2B13C16 |
-72.1 |
1.35 |
-9.45 |
0.35 |
0 |
|
|
388065 |
134988033 |
1 |
NOSC9H15 |
ABCD9E15 |
-37.97 |
5.32 |
-9.57 |
-0.51 |
0 |
|
|
388066 |
134988034 |
1 |
BrNO3C8H12 |
ABC3D8E12 |
-135.81 |
4.21 |
-10.33 |
-0.87 |
0 |
|
|
388067 |
134988036 |
1 |
NO3C9H17 |
AB3C9D17 |
-145.24 |
4.96 |
-9.44 |
0.61 |
0 |
|
|
388068 |
134988041 |
1 |
NO2C12H21 |
AB2C12D21 |
-103.38 |
3.61 |
-11.07 |
0.64 |
0 |
|
|
388069 |
134988044 |
2 |
HC3Cl3 |
AB3C3 |
2.53 |
2.2 |
-10.06 |
-1.48 |
0 |
|
|
388070 |
134988049 |
2 |
OSC7H10 |
ABC7D10 |
-80.51 |
3.92 |
-8.56 |
-0.77 |
0 |
|
|
388071 |
134988051 |
1 |
NO3C12H17 |
AB3C12D17 |
-118.46 |
3.34 |
-9.56 |
0.07 |
0 |
|
|
388072 |
134988057 |
1 |
OSN3C10H11 |
ABC3D10E11 |
42.26 |
6.18 |
-8.77 |
-1.58 |
0 |
|
|
388073 |
134988066 |
1 |
BrO3C8H15 |
AB3C8D15 |
-165.65 |
6.04 |
-10.79 |
-0.83 |
0 |
|
|
388074 |
134988074 |
1 |
O3C11H20 |
A3B11C20 |
-164.69 |
2.73 |
-9.83 |
0.74 |
0 |
|
|
388075 |
134988075 |
1 |
IH2O2C5F7 |
AB2C2D5E7 |
-417.25 |
3.07 |
-10.38 |
-2.07 |
0 |
|
|
388076 |
134988076 |
1 |
NO3C9H17 |
AB3C9D17 |
-147.37 |
3.32 |
-9.71 |
0.71 |
0 |
|
|
388077 |
134988078 |
1 |
N2O4C9H16 |
A2B4C9D16 |
-178.12 |
6.56 |
-9.57 |
-0.26 |
0 |
|
|
388078 |
134988082 |
1 |
O2C11H18 |
A2B11C18 |
-100.78 |
2.15 |
-10.12 |
0.94 |
0 |
|
|
388079 |
134988085 |
1 |
Na2O4C7H10 |
A2B4C7D10 |
-249.24 |
0.07 |
-7.04 |
0.97 |
0 |
|
|
388080 |
134988089 |
1 |
OC7H8 |
AB7C8 |
-3.86 |
3.09 |
-9.56 |
0.59 |
0 |
|
|
388081 |
134988090 |
1 |
BrClC6H8 |
ABC6D8 |
19.29 |
2.93 |
-9.74 |
-0.76 |
0 |
|
|
388082 |
134988100 |
1 |
NS3C6H11 |
AB3C6D11 |
31.68 |
4.28 |
-8.44 |
-1.49 |
0 |
|
|
388083 |
134988102 |
1 |
NC12H15 |
AB12C15 |
26.86 |
3.58 |
-9.6 |
0.14 |
0 |
|
|
388084 |
134988106 |
1 |
NSCl2C11H11 |
ABC2D11E11 |
25.5 |
5.61 |
-9.28 |
-0.96 |
0 |
|
|
388085 |
134988108 |
2 |
OC6H10 |
AB6C10 |
-110.67 |
2.46 |
-9.32 |
0.98 |
0 |
|
|
388086 |
134988111 |
1 |
NO4C13H17 |
AB4C13D17 |
-165.69 |
3.81 |
-9.7 |
-0.14 |
0 |
|
|
388087 |
134988125 |
1 |
NO2C9H17 |
AB2C9D17 |
-121.89 |
3.58 |
-9.68 |
1.06 |
0 |
|
|
388088 |
134988126 |
1 |
NO4C12H21 |
AB4C12D21 |
-204.84 |
4.57 |
-9.56 |
0.62 |
0 |
|
|
388089 |
134988127 |
1 |
BrO3C9H17 |
AB3C9D17 |
-167.79 |
3.76 |
-10.67 |
-0.75 |
0 |
|
|
388090 |
134988128 |
1 |
CClHINO |
ABCDEF |
21.1 |
1.05 |
-10.13 |
-1.87 |
0 |
|
|
388091 |
134988147 |
2 |
OC8H15 |
AB8C15 |
-144.47 |
2.42 |
-9.55 |
0.91 |
0 |
|
|
388092 |
134988148 |
1 |
NOSCl2C10H17 |
ABCD2E10F17 |
-77.09 |
3.45 |
-8.79 |
-0.33 |
0 |
|
|
388093 |
134988151 |
1 |
SeN2C15H28 |
AB2C15D28 |
3.98 |
1.84 |
-8.3 |
-0.31 |
0 |
|
|
388094 |
134988153 |
1 |
NO2C13H13 |
AB2C13D13 |
-23.98 |
5.92 |
-8.94 |
-0.4 |
0 |
|
|
388095 |
134988158 |
1 |
NO3C14H17 |
AB3C14D17 |
-89.7 |
1.51 |
-9.15 |
-0.68 |
0 |
|
|
388096 |
134988160 |
1 |
O2C11H18 |
A2B11C18 |
-105.49 |
4.89 |
-9.7 |
0.69 |
0 |
|
|
388097 |
134988161 |
1 |
O2C11H18 |
A2B11C18 |
-93.51 |
4.86 |
-9.62 |
0.66 |
0 |
|
|
388098 |
134988165 |
1 |
NOC11H19 |
ABC11D19 |
-63.4 |
1.2 |
-9.74 |
1.13 |
0 |
|
|
388099 |
134988166 |
1 |
BrNOC12H12 |
ABCD12E12 |
17.63 |
2.48 |
-8.99 |
-0.36 |
0 |
|
|
388100 |
134988167 |
1 |
ClNSO3H6C7 |
ABCD3E6F7 |
-15.25 |
5.88 |
-9.43 |
-1.28 |
0 |
|
|
388101 |
134988168 |
1 |
NSCl2H3O3C7 |
ABC2D3E3F7 |
0.53 |
2.48 |
-9.89 |
-2.12 |
0 |
|
|
388102 |
134988170 |
1 |
Se2O3C5H8 |
A2B3C5D8 |
-107.56 |
5.28 |
-8.67 |
-1.42 |
0 |
|
|
388103 |
134988173 |
2 |
ON2C4H6 |
AB2C4D6 |
-13.15 |
5.72 |
-10.88 |
-0.41 |
0 |
|
|
388104 |
134988176 |
1 |
O2C9H16 |
A2B9C16 |
-92.94 |
1.94 |
-10.44 |
0.88 |
0 |
|
|
388105 |
134988177 |
1 |
O3C13H26 |
A3B13C26 |
-186.7 |
2.87 |
-9.79 |
0.99 |
0 |
|
|
388106 |
134988178 |
1 |
O4C11H20 |
A4B11C20 |
-216.34 |
2.15 |
-10.88 |
0.79 |
0 |
|
|
388107 |
134988184 |
1 |
NOH9C13 |
ABC9D13 |
70.94 |
4.14 |
-8.9 |
-1.25 |
0 |