List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
399833 |
135043034 |
1 |
ON5C9H11 |
AB5C9D11 |
92.94 |
3.43 |
-9.84 |
-0.34 |
0 |
|
|
399834 |
135043056 |
1 |
O3C14H17 |
A3B14C17 |
-96.19 |
2.61 |
0.0 |
0.0 |
0 |
|
|
399835 |
135043061 |
1 |
ClNSeH8C13 |
ABCD8E13 |
64.78 |
2.34 |
-9.04 |
-1.2 |
0 |
|
|
399836 |
135043063 |
1 |
BO3H25C38 |
AB3C25D38 |
-32.17 |
1.44 |
-8.59 |
-0.75 |
0 |
|
|
399837 |
135043083 |
1 |
OC14H20 |
AB14C20 |
-32.52 |
1.51 |
-8.58 |
0.33 |
0 |
|
|
399838 |
135043084 |
1 |
O2N5H11C13 |
A2B5C11D13 |
107.77 |
6.79 |
-9.14 |
-1.95 |
0 |
|
|
399839 |
135043114 |
1 |
ON2C15H24 |
AB2C15D24 |
-46.78 |
2.11 |
-8.44 |
0.34 |
0 |
|
|
399840 |
135043115 |
1 |
SN2O2C12H16 |
AB2C2D12E16 |
-43.16 |
9.02 |
-10.13 |
-0.86 |
0 |
|
|
399841 |
135043116 |
2 |
OC6H9 |
AB6C9 |
-102.09 |
2.11 |
-9.91 |
0.7 |
0 |
|
|
399842 |
135043121 |
1 |
BrN2O4C13H21 |
AB2C4D13E21 |
-222.18 |
4.62 |
-9.45 |
-0.39 |
0 |
|
|
399843 |
135043122 |
1 |
OC15H21 |
AB15C21 |
10.74 |
1.84 |
0.0 |
0.0 |
0 |
|
|
399844 |
135043123 |
1 |
PF3N3O3C7H13 |
AB3C3D3E7F13 |
-302.32 |
4.15 |
-10.3 |
-0.38 |
0 |
|
|
399845 |
135043125 |
1 |
NH9C11 |
AB9C11 |
71.88 |
2.5 |
-8.31 |
-0.45 |
0 |
|
|
399846 |
135043126 |
1 |
NO4C8H11 |
AB4C8D11 |
-169.78 |
3.4 |
-10.03 |
-0.06 |
0 |
|
|
399847 |
135043127 |
1 |
NF3O3C13H16 |
AB3C3D13E16 |
-282.91 |
2.55 |
-9.8 |
-0.28 |
0 |
|
|
399848 |
135043128 |
1 |
BrN2O2C13H13 |
AB2C2D13E13 |
-64.63 |
2.59 |
-8.57 |
-0.68 |
0 |
|
|
399849 |
135043129 |
1 |
NO2C14H25 |
AB2C14D25 |
-110.11 |
3.55 |
-9.49 |
1.09 |
0 |
|
|
399850 |
135043130 |
1 |
OC18H24 |
AB18C24 |
-31.38 |
2.02 |
-8.99 |
-0.18 |
0 |
|
|
399851 |
135043131 |
1 |
NO3C13H17 |
AB3C13D17 |
-118.41 |
5.61 |
-9.69 |
-0.86 |
1 |
|
|
399852 |
135043141 |
11 |
CH |
AB |
65.57 |
0.56 |
0.0 |
0.0 |
0 |
|
|
399853 |
135043146 |
1 |
IO3C4H9 |
AB3C4D9 |
-146.91 |
2.54 |
-10.3 |
-1.32 |
0 |
|
|
399854 |
135043147 |
1 |
NO4C6H9 |
AB4C6D9 |
-177.24 |
2.82 |
-10.36 |
0.16 |
0 |
|
|
399855 |
135043151 |
1 |
FC15H25 |
AB15C25 |
-62.09 |
3.05 |
-9.12 |
1.01 |
0 |
|
|
399856 |
135043154 |
2 |
NOC6H6 |
ABC6D6 |
-11.26 |
3.68 |
-8.87 |
-0.73 |
0 |
|
|
399857 |
135043203 |
1 |
O2C13H16 |
A2B13C16 |
-77.12 |
4.3 |
-9.93 |
-0.32 |
0 |
|
|
399858 |
135043218 |
2 |
NC8H8 |
AB8C8 |
64.56 |
3.43 |
-8.52 |
-0.15 |
0 |
|
|
399859 |
135043264 |
1 |
O3C17H28 |
A3B17C28 |
-140.18 |
2.37 |
-9.4 |
0.04 |
0 |
|
|
399860 |
135043279 |
1 |
NSO2C10H15 |
ABC2D10E15 |
-97.7 |
1.75 |
-9.13 |
-0.3 |
0 |
|
|
399861 |
135043282 |
1 |
SO2C14H22 |
AB2C14D22 |
-48.39 |
2.47 |
-8.16 |
0.42 |
0 |
|
|
399862 |
135043283 |
1 |
SN2O2C13H16 |
AB2C2D13E16 |
-42.89 |
4.7 |
-9.46 |
-0.56 |
0 |
|
|
399863 |
135043309 |
1 |
BrO2H11C12 |
AB2C11D12 |
-50.38 |
3.63 |
-8.87 |
-0.63 |
0 |
|
|
399864 |
135043320 |
1 |
OC11H24 |
AB11C24 |
-104.24 |
2.02 |
-10.13 |
2.89 |
0 |
|
|
399865 |
135043321 |
1 |
N2C15H20 |
A2B15C20 |
16.94 |
2.91 |
-8.15 |
0.45 |
0 |
|
|
399866 |
135043328 |
1 |
OSC15H22 |
ABC15D22 |
-52.03 |
1.16 |
-8.54 |
0.0 |
0 |
|
|
399867 |
135043350 |
2 |
OH7C8 |
AB7C8 |
-12.07 |
4.75 |
-9.65 |
-0.98 |
0 |
|
|
399868 |
135043354 |
1 |
FSN3O4H10C11 |
ABC3D4E10F11 |
-125.1 |
3.83 |
-10.68 |
-2.01 |
0 |
|
|
399869 |
135043358 |
1 |
NC18H23 |
AB18C23 |
29.35 |
1.69 |
-8.48 |
0.44 |
0 |
|
|
399870 |
135043366 |
1 |
OC12H20 |
AB12C20 |
-35.26 |
3.03 |
-9.56 |
-0.38 |
0 |
|
|
399871 |
135043367 |
1 |
ON5C12H15 |
AB5C12D15 |
37.78 |
4.43 |
-8.41 |
-0.22 |
0 |
|
|
399872 |
135043373 |
1 |
OC19H24 |
AB19C24 |
-28.84 |
1.87 |
-9.32 |
0.21 |
1 |
|
|
399873 |
135043380 |
1 |
O2C8H11 |
A2B8C11 |
-56.61 |
2.57 |
0.0 |
0.0 |
0 |
|
|
399874 |
135043393 |
1 |
ClO2C15H15 |
AB2C15D15 |
-22.97 |
2.12 |
-9.81 |
-1.01 |
0 |
|
|
399875 |
135043399 |
1 |
BrO3C11H13 |
AB3C11D13 |
-111.54 |
4.19 |
-9.81 |
-0.35 |
0 |
|
|
399876 |
135043400 |
1 |
NO2C15H27 |
AB2C15D27 |
-99.76 |
4.16 |
-9.06 |
0.52 |
1 |
|
|
399877 |
135043403 |
1 |
AgN2H12C15 |
AB2C12D15 |
50.07 |
14.13 |
0.0 |
0.0 |
0 |
|
|
399878 |
135043431 |
1 |
SO2N3C7H13 |
AB2C3D7E13 |
-47.01 |
1.36 |
-10.06 |
-0.55 |
0 |
|
|
399879 |
135043435 |
1 |
NOC12H17 |
ABC12D17 |
-33.7 |
4.66 |
-8.95 |
0.81 |
0 |
|
|
399880 |
135043440 |
2 |
OC9H10 |
AB9C10 |
-61.03 |
2.56 |
-8.84 |
0.03 |
0 |
|
|
399881 |
135043442 |
1 |
BrN3O3H6C9 |
AB3C3D6E9 |
-1.4 |
4.34 |
-9.71 |
-1.38 |
0 |
|
|
399882 |
135043444 |
1 |
O2N5H11C13 |
A2B5C11D13 |
36.82 |
6.67 |
-9.56 |
-0.69 |
0 |
|
|
399883 |
135043449 |
1 |
O3H8C14 |
A3B8C14 |
21.95 |
4.11 |
-9.79 |
-1.06 |
0 |
|
|
399884 |
135043466 |
1 |
SiC15H15 |
AB15C15 |
120.71 |
0.6 |
0.0 |
0.0 |
0 |
|
|
399885 |
135043472 |
1 |
NO2C13H17 |
AB2C13D17 |
-72.33 |
1.98 |
-9.29 |
0.16 |
0 |
|
|
399886 |
135043482 |
1 |
O4C15H20 |
A4B15C20 |
-169.03 |
2.97 |
-9.54 |
0.19 |
0 |
|
|
399887 |
135043487 |
1 |
OBr2H14C16 |
AB2C14D16 |
23.1 |
3.38 |
-9.5 |
-0.71 |
0 |
|
|
399888 |
135043490 |
1 |
N2O2C19H28 |
A2B2C19D28 |
-92.72 |
2.95 |
-8.65 |
0.42 |
0 |
|
|
399889 |
135043517 |
2 |
NOC6H7 |
ABC6D7 |
-17.7 |
4.54 |
-8.62 |
-0.05 |
0 |
|
|
399890 |
135043530 |
1 |
OC11H16 |
AB11C16 |
-27.34 |
2.0 |
-9.6 |
0.98 |
0 |
|
|
399892 |
135043554 |
1 |
O3C17H18 |
A3B17C18 |
-106.26 |
3.57 |
-8.83 |
-0.29 |
0 |
|
|
399893 |
135043576 |
1 |
INO2C11H18 |
ABC2D11E18 |
-87.71 |
5.92 |
-9.48 |
-0.74 |
0 |
|
|
399894 |
135043583 |
1 |
NSeC14H15 |
ABC14D15 |
41.47 |
3.96 |
-8.26 |
0.01 |
0 |
|
|
399895 |
135043584 |
4 |
OC4H4 |
AB4C4 |
-123.98 |
4.03 |
-8.5 |
-0.52 |
0 |
|
|
399896 |
135043590 |
1 |
NO3C14H19 |
AB3C14D19 |
-113.13 |
4.72 |
-9.65 |
-0.08 |
0 |
|
|
399897 |
135043591 |
1 |
FNOC15H30 |
ABCD15E30 |
-160.72 |
3.85 |
-9.32 |
1.39 |
0 |
|
|
399898 |
135043606 |
1 |
O2Rh2C11H18 |
A2B2C11D18 |
-142.35 |
1.07 |
-9.08 |
-4.8 |
0 |
|
|
399899 |
135043622 |
1 |
O3C12H16 |
A3B12C16 |
-137.1 |
0.72 |
-8.77 |
0.15 |
0 |
|
|
399900 |
135043626 |
1 |
SO8H34C38 |
AB8C34D38 |
-201.3 |
9.03 |
-8.43 |
-0.66 |
0 |
|
|
399901 |
135043640 |
2 |
OC6H8 |
AB6C8 |
-72.65 |
2.57 |
-9.72 |
-0.38 |
0 |
|
|
399902 |
135043682 |
2 |
NO2C6H8 |
AB2C6D8 |
-86.4 |
4.72 |
-9.65 |
-0.48 |
1 |
|
|
399903 |
135043684 |
1 |
NOC10H14 |
ABC10D14 |
-29.04 |
3.32 |
0.0 |
0.0 |
0 |
|
|
399904 |
135043687 |
1 |
ClSO3H19C22 |
ABC3D19E22 |
-61.79 |
5.54 |
-8.41 |
-0.45 |
0 |
|
|
399905 |
135043690 |
1 |
NO3C14H17 |
AB3C14D17 |
-47.32 |
3.94 |
-9.49 |
-0.3 |
-1 |
|
|
399906 |
135043719 |
1 |
NH10C11 |
AB10C11 |
73.18 |
1.71 |
0.0 |
0.0 |
0 |
|
|
399908 |
135043730 |
1 |
NO2C9H13 |
AB2C9D13 |
-51.93 |
3.48 |
-7.42 |
-0.7 |
0 |
|
|
399909 |
135043736 |
1 |
FON2H9C11 |
ABC2D9E11 |
-31.54 |
6.77 |
-9.3 |
-0.72 |
0 |