List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
47699 |
10534830 |
1 |
OC10H14 |
AB10C14 |
-38.78 |
1.47 |
-8.73 |
0.84 |
0 |
|
|
47700 |
10534838 |
1 |
NO2C8H9 |
AB2C8D9 |
-51.78 |
0.86 |
-8.83 |
-0.79 |
0 |
|
|
47701 |
10534839 |
1 |
NO2C8H9 |
AB2C8D9 |
-76.17 |
5.86 |
-9.52 |
-0.38 |
0 |
|
|
47702 |
10534842 |
1 |
NOC9H13 |
ABC9D13 |
-20.11 |
1.14 |
-9.44 |
0.24 |
0 |
|
|
47703 |
10534850 |
1 |
N2O2C7H8 |
A2B2C7D8 |
-32.46 |
3.35 |
-9.69 |
-1.12 |
0 |
|
|
47704 |
10534857 |
1 |
ON2C8H12 |
AB2C8D12 |
-11.67 |
3.33 |
-8.94 |
-0.11 |
0 |
|
|
47705 |
10534869 |
1 |
NO2C8H11 |
AB2C8D11 |
-58.78 |
3.21 |
-10.8 |
-0.36 |
0 |
|
|
47706 |
10534871 |
1 |
SN3C6H7 |
AB3C6D7 |
65.28 |
2.7 |
-9.04 |
-0.73 |
0 |
|
|
47707 |
10534873 |
1 |
NC10H19 |
AB10C19 |
-18.42 |
2.22 |
-9.0 |
1.46 |
0 |
|
|
47708 |
10534877 |
1 |
O3C8H10 |
A3B8C10 |
-118.36 |
5.55 |
-10.82 |
-0.42 |
0 |
|
|
47709 |
10534879 |
1 |
O3C8H10 |
A3B8C10 |
-49.76 |
2.21 |
-10.24 |
-0.12 |
0 |
|
|
47710 |
10534882 |
1 |
O2C9H14 |
A2B9C14 |
-104.33 |
3.64 |
-9.78 |
0.42 |
0 |
|
|
47711 |
10534883 |
1 |
O2C9H14 |
A2B9C14 |
-102.53 |
1.62 |
-9.84 |
0.25 |
0 |
|
|
47712 |
10534886 |
1 |
ON2C8H14 |
AB2C8D14 |
10.91 |
1.95 |
-9.31 |
0.62 |
0 |
|
|
47713 |
10534889 |
1 |
OC10H18 |
AB10C18 |
-52.29 |
0.91 |
-9.17 |
0.77 |
0 |
|
|
47714 |
10534890 |
1 |
OC10H18 |
AB10C18 |
-75.37 |
1.83 |
-10.14 |
2.82 |
0 |
|
|
47716 |
10534896 |
1 |
NO2C8H13 |
AB2C8D13 |
-56.33 |
5.37 |
-9.8 |
-0.32 |
0 |
|
|
47717 |
10534897 |
1 |
NO2C8H13 |
AB2C8D13 |
-82.29 |
3.62 |
-8.64 |
0.08 |
0 |
|
|
47718 |
10534898 |
1 |
NO2C8H13 |
AB2C8D13 |
-63.83 |
5.47 |
-8.45 |
-0.36 |
0 |
|
|
47719 |
10534901 |
1 |
NOSC7H9 |
ABCD7E9 |
11.27 |
1.96 |
-8.88 |
-0.38 |
0 |
|
|
47720 |
10534904 |
1 |
NOC9H17 |
ABC9D17 |
-64.46 |
3.2 |
-10.07 |
0.78 |
0 |
|
|
47722 |
10534920 |
1 |
O2C9H16 |
A2B9C16 |
-115.96 |
3.96 |
-9.82 |
0.67 |
0 |
|
|
47723 |
10534927 |
1 |
ON2C8H16 |
AB2C8D16 |
-45.2 |
3.61 |
-8.51 |
0.62 |
0 |
|
|
47724 |
10534928 |
1 |
ON2C8H16 |
AB2C8D16 |
-58.0 |
3.51 |
-9.06 |
1.07 |
0 |
|
|
47725 |
10534931 |
1 |
O2C4N5H7 |
A2B4C5D7 |
-3.45 |
6.84 |
-9.67 |
-0.57 |
0 |
|
|
47726 |
10534936 |
1 |
NC11H11 |
AB11C11 |
51.07 |
4.29 |
-9.56 |
-0.14 |
0 |
|
|
47727 |
10534943 |
1 |
O3C8H14 |
A3B8C14 |
-138.66 |
3.18 |
-10.17 |
0.63 |
0 |
|
|
47728 |
10534946 |
1 |
N2O2C7H14 |
A2B2C7D14 |
-72.4 |
2.56 |
-9.96 |
0.18 |
0 |
|
|
47729 |
10534952 |
1 |
O2C9H18 |
A2B9C18 |
-92.91 |
0.77 |
-9.78 |
1.35 |
0 |
|
|
47730 |
10534955 |
1 |
OSC8H14 |
ABC8D14 |
-49.29 |
1.07 |
-8.64 |
0.08 |
0 |
|
|
47731 |
10534959 |
1 |
N3O3C5H9 |
A3B3C5D9 |
-71.37 |
2.67 |
-10.71 |
-1.08 |
0 |
|
|
47732 |
10534960 |
1 |
H5N5C7 |
A5B5C7 |
97.67 |
4.2 |
-9.05 |
-1.29 |
0 |
|
|
47734 |
10534977 |
1 |
OC11H12 |
AB11C12 |
-15.49 |
0.82 |
-8.34 |
-0.03 |
0 |
|
|
47735 |
10534986 |
1 |
NOC10H11 |
ABC10D11 |
3.45 |
5.28 |
-9.1 |
-0.05 |
0 |
|
|
47736 |
10534988 |
1 |
N3C9H11 |
A3B9C11 |
60.78 |
5.02 |
-9.04 |
-0.48 |
0 |
|
|
47737 |
10534989 |
1 |
NSO2C6H11 |
ABC2D6E11 |
-102.98 |
3.44 |
-9.16 |
-0.06 |
0 |
|
|
47738 |
10535000 |
1 |
NO3H5C8 |
AB3C5D8 |
-61.13 |
5.96 |
-10.23 |
-1.36 |
0 |
|
|
47739 |
10535012 |
1 |
O3H8C9 |
A3B8C9 |
-93.29 |
6.61 |
-9.65 |
-0.69 |
0 |
|
|
47740 |
10535013 |
1 |
ON4C7H8 |
AB4C7D8 |
3.21 |
1.34 |
-8.67 |
-0.2 |
0 |
|
|
47741 |
10535019 |
2 |
OC5H6 |
AB5C6 |
-27.91 |
2.41 |
-9.6 |
0.11 |
0 |
|
|
47742 |
10535029 |
2 |
NC5H8 |
AB5C8 |
9.44 |
2.98 |
-8.16 |
0.54 |
0 |
|
|
47743 |
10535030 |
1 |
SC10H12 |
AB10C12 |
30.63 |
1.81 |
-9.06 |
-0.17 |
0 |
|
|
47744 |
10535031 |
4 |
C3H5 |
A3B5 |
8.2 |
1.1 |
-10.22 |
1.9 |
0 |
|
|
47745 |
10535035 |
1 |
BNO2C8H12 |
ABC2D8E12 |
-137.99 |
4.32 |
-8.38 |
0.24 |
0 |
|
|
47746 |
10535039 |
1 |
ON5C6H7 |
AB5C6D7 |
34.74 |
12.33 |
-8.73 |
-1.12 |
0 |
|
|
47747 |
10535040 |
1 |
ON5C6H7 |
AB5C6D7 |
90.26 |
5.44 |
-9.0 |
-1.38 |
0 |
|
|
47748 |
10535046 |
1 |
NOC10H15 |
ABC10D15 |
-15.95 |
3.81 |
-9.08 |
0.65 |
0 |
|
|
47749 |
10535057 |
1 |
FOC10H11 |
ABC10D11 |
-68.19 |
2.27 |
-9.61 |
-0.18 |
0 |
|
|
47750 |
10535071 |
1 |
OC11H18 |
AB11C18 |
-0.78 |
2.83 |
-10.01 |
1.71 |
0 |
|
|
47751 |
10535082 |
1 |
NO3C8H9 |
AB3C8D9 |
-110.99 |
4.27 |
-9.61 |
-1.07 |
0 |