List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
350785 |
127279073 |
1 |
ClNOSC11H14 |
ABCDE11F14 |
-34.22 |
4.85 |
-9.44 |
-0.72 |
0 |
|
|
350786 |
127279074 |
1 |
NOSC12H17 |
ABCD12E17 |
-41.35 |
4.68 |
-8.96 |
-0.31 |
0 |
|
|
350787 |
127279075 |
1 |
NOSC12H17 |
ABCD12E17 |
-45.14 |
4.46 |
-9.14 |
-0.27 |
0 |
|
|
350788 |
127279076 |
1 |
NOC14H19 |
ABC14D19 |
-47.55 |
4.95 |
-9.23 |
0.13 |
0 |
|
|
350789 |
127279077 |
1 |
NO3C14H17 |
AB3C14D17 |
-101.43 |
4.73 |
-8.97 |
-0.31 |
0 |
|
|
350790 |
127279078 |
1 |
NOC14H19 |
ABC14D19 |
-47.02 |
4.53 |
-9.26 |
0.06 |
0 |
|
|
350791 |
127279079 |
1 |
NOC14H19 |
ABC14D19 |
-48.86 |
4.46 |
-9.24 |
0.07 |
0 |
|
|
350792 |
127279080 |
1 |
NOC13H23 |
ABC13D23 |
-87.68 |
4.09 |
-9.15 |
1.43 |
0 |
|
|
350793 |
127279081 |
1 |
N2O3C16H20 |
A2B3C16D20 |
-134.22 |
7.3 |
-9.21 |
-0.86 |
0 |
|
|
350794 |
127279082 |
2 |
NOC7H12 |
ABC7D12 |
-115.04 |
7.37 |
-9.19 |
0.96 |
0 |
|
|
350795 |
127279083 |
1 |
ON2C14H22 |
AB2C14D22 |
-58.87 |
4.7 |
-8.38 |
1.02 |
0 |
|
|
350796 |
127279084 |
1 |
N2O2C17H30 |
A2B2C17D30 |
-136.13 |
8.01 |
-8.9 |
1.1 |
0 |
|
|
350797 |
127279085 |
1 |
FO2N5C18H22 |
AB2C5D18E22 |
-84.57 |
3.84 |
-8.49 |
-0.52 |
0 |
|
|
350798 |
127279086 |
1 |
FON5C21H28 |
ABC5D21E28 |
-54.19 |
1.82 |
-8.9 |
-1.06 |
0 |
|
|
350799 |
127279087 |
1 |
ON7C20H31 |
AB7C20D31 |
-6.76 |
4.7 |
-8.52 |
-0.29 |
0 |
|
|
350800 |
127279088 |
1 |
ON7C21H33 |
AB7C21D33 |
5.55 |
7.06 |
-9.03 |
-0.68 |
0 |
|
|
350801 |
127279089 |
1 |
ON7C18H27 |
AB7C18D27 |
11.4 |
8.81 |
-9.26 |
-0.89 |
0 |
|
|
350802 |
127279090 |
1 |
ON7C21H31 |
AB7C21D31 |
33.5 |
10.13 |
-9.41 |
-0.82 |
0 |
|
|
350803 |
127279091 |
1 |
ON7C20H29 |
AB7C20D29 |
27.41 |
5.15 |
-8.82 |
-0.97 |
0 |
|
|
350804 |
127279092 |
1 |
ON5C22H31 |
AB5C22D31 |
-13.87 |
2.38 |
-8.82 |
-0.72 |
0 |
|
|
350805 |
127279093 |
1 |
OSN6C18H28 |
ABC6D18E28 |
5.43 |
5.03 |
-8.71 |
-0.76 |
0 |
|
|
350806 |
127279094 |
1 |
OSN5C19H27 |
ABC5D19E27 |
-6.73 |
2.15 |
-8.73 |
-0.94 |
0 |
|
|
350807 |
127279095 |
2 |
ON2C10H14 |
AB2C10D14 |
-54.34 |
4.61 |
-8.69 |
-0.37 |
0 |
|
|
350808 |
127279096 |
1 |
ON5C21H29 |
AB5C21D29 |
-5.96 |
3.79 |
-8.66 |
-0.85 |
0 |
|
|
350809 |
127279097 |
1 |
ClO3N4C18H27 |
AB3C4D18E27 |
-110.91 |
4.77 |
-8.88 |
-0.49 |
0 |
|
|
350810 |
127279098 |
2 |
NO2C7H8 |
AB2C7D8 |
-135.76 |
2.38 |
-9.23 |
-0.84 |
0 |
|
|
350811 |
127279099 |
1 |
N2O3C16H18 |
A2B3C16D18 |
-55.97 |
1.4 |
-9.12 |
-0.74 |
0 |
|
|
350812 |
127279100 |
1 |
SN2O5C17H22 |
AB2C5D17E22 |
-186.71 |
6.42 |
-9.18 |
-0.77 |
0 |
|
|
350813 |
127279101 |
1 |
N2O3C15H18 |
A2B3C15D18 |
-100.44 |
1.79 |
-8.99 |
-0.57 |
0 |
|
|
350814 |
127279102 |
1 |
N2O3C13H14 |
A2B3C13D14 |
-86.04 |
1.83 |
-9.01 |
-0.61 |
0 |
|
|
350815 |
127279103 |
1 |
N2O4C15H18 |
A2B4C15D18 |
-137.49 |
0.52 |
-9.06 |
-0.66 |
0 |
|
|
350816 |
127279104 |
1 |
N2O3C19H22 |
A2B3C19D22 |
-113.65 |
1.18 |
-9.1 |
-0.72 |
0 |
|
|
350817 |
127279105 |
1 |
O2N5C20H27 |
A2B5C20D27 |
-15.28 |
6.53 |
-8.66 |
0.28 |
0 |
|
|
350818 |
127279106 |
1 |
N3O4C22H29 |
A3B4C22D29 |
-135.96 |
4.84 |
-8.78 |
-0.41 |
0 |
|
|
350819 |
127279107 |
1 |
N3O3C19H25 |
A3B3C19D25 |
-42.84 |
3.21 |
-8.46 |
-0.19 |
0 |
|
|
350820 |
127279108 |
1 |
N3O4C20H27 |
A3B4C20D27 |
-132.08 |
3.23 |
-8.68 |
-0.22 |
0 |
|
|
350821 |
127279109 |
1 |
N3O3C19H25 |
A3B3C19D25 |
-43.72 |
1.58 |
-8.68 |
-0.29 |
0 |
|
|
350822 |
127279110 |
2 |
NO2C11H16 |
AB2C11D16 |
-160.62 |
3.32 |
-8.68 |
0.0 |
0 |
|
|
350823 |
127279111 |
2 |
ON2C11H15 |
AB2C11D15 |
-27.71 |
6.93 |
-8.66 |
-0.01 |
0 |
|
|
350824 |
127279112 |
2 |
ON2C11H15 |
AB2C11D15 |
-1.55 |
5.09 |
-8.83 |
-0.14 |
0 |
|
|
350825 |
127279113 |
2 |
ON2C11H15 |
AB2C11D15 |
-0.53 |
5.03 |
-8.89 |
-0.22 |
0 |
|
|
350826 |
127279114 |
1 |
O2N5C18H25 |
A2B5C18D25 |
13.09 |
5.51 |
-9.02 |
-0.34 |
0 |
|
|
350827 |
127279115 |
1 |
SO3N4C18H28 |
AB3C4D18E28 |
-101.27 |
9.88 |
-9.34 |
0.08 |
0 |
|
|
350828 |
127279116 |
1 |
ClN2O3C18H25 |
AB2C3D18E25 |
-111.51 |
7.37 |
-8.1 |
-0.03 |
0 |
|
|
350829 |
127279117 |
1 |
ClN2O3C18H25 |
AB2C3D18E25 |
-111.43 |
5.74 |
-8.1 |
-0.22 |
0 |
|
|
350830 |
127279118 |
1 |
SN2O3C20H34 |
AB2C3D20E34 |
-150.96 |
3.97 |
-8.74 |
0.54 |
0 |
|
|
350831 |
127279119 |
1 |
ClN2O3C19H25 |
AB2C3D19E25 |
-108.85 |
0.69 |
-8.43 |
-0.21 |
0 |
|
|
350832 |
127279120 |
1 |
ClON3C17H20 |
ABC3D17E20 |
-2.37 |
3.33 |
-9.33 |
-0.9 |
0 |
|
|
350833 |
127279121 |
1 |
N3O4C18H23 |
A3B4C18D23 |
-131.08 |
2.46 |
-8.69 |
-0.43 |
0 |
|
|
350834 |
127279122 |
1 |
SN2O4C20H30 |
AB2C4D20E30 |
-140.9 |
6.58 |
-9.15 |
-0.51 |
0 |
|
|
350835 |
127279123 |
1 |
SN3O3C19H27 |
AB3C3D19E27 |
-106.2 |
4.67 |
-8.92 |
-0.78 |
0 |
|
|
350836 |
127279124 |
1 |
O2N3C17H23 |
A2B3C17D23 |
-67.92 |
2.88 |
-8.87 |
-0.24 |
0 |
|
|
350837 |
127279125 |
1 |
N2O3C19H26 |
A2B3C19D26 |
-98.27 |
3.71 |
-8.72 |
0.13 |
0 |
|
|
350838 |
127279126 |
1 |
O2N3C17H27 |
A2B3C17D27 |
-46.37 |
6.95 |
-9.14 |
0.08 |
0 |
|
|
350839 |
127279127 |
1 |
SN3O3C18H27 |
AB3C3D18E27 |
-110.74 |
7.98 |
-8.9 |
-0.48 |
0 |
|
|
350840 |
127279128 |
1 |
ON4C16H26 |
AB4C16D26 |
-22.75 |
2.34 |
-8.38 |
0.88 |
0 |
|
|
350841 |
127279129 |
1 |
SN3O3C18H31 |
AB3C3D18E31 |
-131.81 |
7.66 |
-9.09 |
0.75 |
0 |
|
|
350842 |
127279130 |
1 |
SN2O3C19H32 |
AB2C3D19E32 |
-148.88 |
4.43 |
-9.31 |
0.7 |
0 |
|
|
350843 |
127279131 |
1 |
O2N3C19H21 |
A2B3C19D21 |
-6.38 |
8.56 |
-8.99 |
-0.92 |
0 |
|
|
350844 |
127279132 |
1 |
N2O3C18H24 |
A2B3C18D24 |
-96.94 |
5.6 |
-8.24 |
0.06 |
0 |
|
|
350845 |
127279133 |
1 |
SN2O3C16H28 |
AB2C3D16E28 |
-142.28 |
3.86 |
-8.81 |
0.54 |
0 |
|
|
350846 |
127279134 |
1 |
SN3O3C19H29 |
AB3C3D19E29 |
-112.04 |
6.82 |
-8.86 |
-0.44 |
0 |
|
|
350847 |
127279135 |
1 |
O2N3C18H23 |
A2B3C18D23 |
3.71 |
2.14 |
-8.94 |
-0.57 |
0 |
|
|
350848 |
127279136 |
1 |
N2O3C19H26 |
A2B3C19D26 |
-102.24 |
2.92 |
-8.29 |
0.1 |
0 |
|
|
350849 |
127279137 |
1 |
O2N3C21H31 |
A2B3C21D31 |
-95.56 |
5.04 |
-8.56 |
0.49 |
0 |
|
|
350850 |
127279138 |
1 |
N3O3C18H25 |
A3B3C18D25 |
-111.36 |
4.63 |
-8.29 |
-0.04 |
0 |
|
|
350851 |
127279139 |
1 |
ClSN3O3C18H26 |
ABC3D3E18F26 |
-106.18 |
7.8 |
-9.1 |
-0.76 |
0 |
|
|
350852 |
127279140 |
1 |
SN3O3C20H29 |
AB3C3D20E29 |
-107.64 |
5.07 |
-9.04 |
-0.39 |
0 |
|
|
350853 |
127279141 |
1 |
SO2N4C20H30 |
AB2C4D20E30 |
-42.26 |
10.91 |
-9.2 |
-0.52 |
0 |
|
|
350854 |
127279142 |
1 |
ClON5C18H22 |
ABC5D18E22 |
27.86 |
3.16 |
-9.36 |
-0.91 |
0 |
|
|
350855 |
127279143 |
1 |
N3O4C19H25 |
A3B4C19D25 |
-145.06 |
3.46 |
-8.3 |
-0.13 |
0 |
|
|
350856 |
127279144 |
1 |
N2O3C17H22 |
A2B3C17D22 |
-90.11 |
4.52 |
-8.34 |
-0.09 |
0 |
|
|
350857 |
127279145 |
1 |
SN3O3C18H27 |
AB3C3D18E27 |
-100.47 |
6.52 |
-9.16 |
-0.52 |
0 |
|
|
350858 |
127279146 |
1 |
O2N3C14H23 |
A2B3C14D23 |
-81.34 |
4.17 |
-9.52 |
0.22 |
0 |
|
|
350859 |
127279147 |
1 |
ON4C21H28 |
AB4C21D28 |
8.35 |
2.99 |
-8.43 |
-0.14 |
0 |
|
|
350860 |
127279148 |
1 |
O2N3C20H27 |
A2B3C20D27 |
-65.03 |
2.53 |
-8.74 |
-0.29 |
0 |
|
|
350861 |
127279149 |
1 |
O3N4C17H26 |
A3B4C17D26 |
-138.11 |
6.87 |
-8.4 |
-0.61 |
0 |
|
|
350862 |
127279150 |
1 |
ON3C16H25 |
AB3C16D25 |
-10.16 |
6.59 |
-9.38 |
0.88 |
0 |
|
|
350863 |
127279151 |
1 |
O2N3C18H25 |
A2B3C18D25 |
-70.81 |
3.75 |
-8.8 |
-0.21 |
0 |
|
|
350864 |
127279152 |
1 |
O2N3C17H29 |
A2B3C17D29 |
-121.48 |
3.54 |
-9.44 |
0.38 |
0 |
|
|
350865 |
127279153 |
1 |
ClSN2O3C17H23 |
ABC2D3E17F23 |
-116.92 |
8.37 |
-9.3 |
-0.84 |
0 |
|
|
350866 |
127279154 |
1 |
ON3C18H23 |
AB3C18D23 |
-3.0 |
9.47 |
-9.02 |
-0.52 |
0 |
|
|
350867 |
127279155 |
1 |
NOC13H23 |
ABC13D23 |
-58.16 |
1.51 |
-8.7 |
2.26 |
0 |
|
|
350868 |
127279156 |
1 |
O2N3C13H21 |
A2B3C13D21 |
-84.11 |
2.54 |
-8.77 |
-0.02 |
0 |
|
|
350869 |
127279157 |
1 |
FOSN4C18H21 |
ABCD4E18F21 |
-14.18 |
5.66 |
-9.03 |
-1.49 |
0 |
|
|
350870 |
127279158 |
1 |
NC10H19 |
AB10C19 |
-13.78 |
1.51 |
-8.6 |
2.81 |
0 |
|
|
350871 |
127279159 |
1 |
O2F3N3C20H24 |
A2B3C3D20E24 |
-202.0 |
5.61 |
-9.38 |
-0.66 |
0 |
|
|
350872 |
127279160 |
1 |
OSN3C19H25 |
ABC3D19E25 |
-3.92 |
4.23 |
-8.58 |
-0.62 |
0 |
|
|
350873 |
127279161 |
1 |
O2N3C17H29 |
A2B3C17D29 |
-112.16 |
5.72 |
-9.28 |
0.58 |
0 |
|
|
350874 |
127279162 |
1 |
O2N3C23H33 |
A2B3C23D33 |
-82.38 |
5.69 |
-8.89 |
-0.18 |
0 |
|
|
350875 |
127279163 |
1 |
O2N3C22H31 |
A2B3C22D31 |
-73.74 |
4.7 |
-9.09 |
-0.3 |
0 |
|
|
350876 |
127279164 |
1 |
O2N3C18H31 |
A2B3C18D31 |
-113.73 |
3.74 |
-9.21 |
0.84 |
0 |
|
|
350877 |
127279165 |
3 |
NOC6H7 |
ABC6D7 |
-18.26 |
1.44 |
-8.94 |
-0.88 |
0 |
|
|
350878 |
127279166 |
1 |
SO2N3C21H29 |
AB2C3D21E29 |
-69.26 |
7.62 |
-8.47 |
-0.32 |
0 |
|
|
350879 |
127279167 |
1 |
SO2N3C16H21 |
AB2C3D16E21 |
-40.79 |
9.11 |
-9.33 |
-0.56 |
0 |
|
|
350880 |
127279168 |
1 |
N3O4C21H27 |
A3B4C21D27 |
-135.76 |
6.17 |
-8.86 |
-0.38 |
0 |
|
|
350881 |
127279169 |
1 |
N3O3C18H23 |
A3B3C18D23 |
-37.26 |
1.62 |
-8.67 |
-0.16 |
0 |
|
|
350882 |
127279170 |
1 |
N3O4C20H27 |
A3B4C20D27 |
-137.38 |
2.43 |
-8.7 |
0.0 |
0 |
|
|
350883 |
127279171 |
1 |
N3O3C20H25 |
A3B3C20D25 |
-15.41 |
1.79 |
-8.7 |
-0.35 |
0 |
|
|
350884 |
127279172 |
1 |
O2N5C19H25 |
A2B5C19D25 |
39.74 |
5.38 |
-8.67 |
-0.34 |
0 |