List Systems
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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 |