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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
444782 |
135263538 |
1 |
NO3H11C15 |
AB3C11D15 |
-41.33 |
4.07 |
-9.24 |
-1.11 |
0 |
|
|
444783 |
135263539 |
1 |
ON2C15H16 |
AB2C15D16 |
-4.11 |
5.16 |
-8.41 |
-0.05 |
0 |
|
|
444784 |
135263540 |
1 |
ON2C15H16 |
AB2C15D16 |
-9.29 |
2.6 |
-8.5 |
-0.22 |
0 |
|
|
444785 |
135263541 |
1 |
NSF3O6H10C11 |
ABC3D6E10F11 |
-375.71 |
5.83 |
-10.24 |
-2.03 |
0 |
|
|
444786 |
135263542 |
1 |
NSF3O6H10C11 |
ABC3D6E10F11 |
-374.95 |
3.63 |
-9.99 |
-1.77 |
0 |
|
|
444787 |
135263544 |
1 |
N2O5C29H30 |
A2B5C29D30 |
-137.93 |
10.29 |
-8.67 |
-0.74 |
0 |
|
|
444788 |
135263545 |
1 |
N2O5C29H30 |
A2B5C29D30 |
-139.58 |
9.22 |
-8.61 |
-0.7 |
0 |
|
|
444789 |
135263546 |
1 |
ClF2O2N4H17C20 |
AB2C2D4E17F20 |
-47.86 |
11.52 |
-7.81 |
-1.57 |
0 |
|
|
444790 |
135263547 |
1 |
F2N2O3C26H26 |
A2B2C3D26E26 |
-130.37 |
3.45 |
-8.27 |
-0.32 |
0 |
|
|
444792 |
135263549 |
1 |
NCl2P2S2O7C14H23 |
AB2C2D2E7F14G23 |
-448.58 |
5.52 |
-9.24 |
-0.62 |
0 |
|
|
444793 |
135263550 |
1 |
BrON2F3H20C21 |
ABC2D3E20F21 |
-142.99 |
4.6 |
-8.3 |
-0.54 |
0 |
|
|
444794 |
135263551 |
1 |
ClPSF4N6O9H40C41 |
ABCD4E6F9G40H41 |
-386.84 |
7.82 |
-9.09 |
-1.77 |
0 |
|
|
444795 |
135263552 |
1 |
ClBr2O3N4C33H41 |
AB2C3D4E33F41 |
-66.01 |
5.63 |
-9.39 |
-1.34 |
0 |
|
|
444796 |
135263553 |
1 |
ClSBr4N11O12C52H56 |
ABC4D11E12F52G56 |
-306.71 |
12.65 |
-8.89 |
-1.58 |
0 |
|
|
444797 |
135263556 |
2 |
Cl2N3O4H17C19 |
A2B3C4D17E19 |
-188.94 |
7.96 |
-9.35 |
-1.29 |
0 |
|
|
444798 |
135263580 |
1 |
SN4O5C24H28 |
AB4C5D24E28 |
-125.64 |
6.21 |
-9.13 |
-0.88 |
0 |
|
|
444799 |
135263597 |
2 |
OH9C10 |
AB9C10 |
-20.83 |
1.56 |
-8.75 |
0.14 |
0 |
|
|
444800 |
135263598 |
1 |
FO3N5C23H24 |
AB3C5D23E24 |
-68.23 |
15.63 |
-7.42 |
-1.28 |
0 |
|
|
444801 |
135263602 |
1 |
FSO5N6H47C49 |
ABC5D6E47F49 |
-96.28 |
7.49 |
-8.25 |
-0.86 |
0 |
|
|
444802 |
135263617 |
1 |
Cl6N8O9H36C37 |
A6B8C9D36E37 |
-79.15 |
5.19 |
-9.07 |
-1.7 |
0 |
|
|
444803 |
135263620 |
1 |
ClS2N6O8C52H59 |
AB2C6D8E52F59 |
-221.12 |
2.6 |
-8.47 |
-0.99 |
0 |
|
|
444804 |
135263621 |
1 |
BrS2N6O8C52H59 |
AB2C6D8E52F59 |
-207.14 |
9.58 |
-8.66 |
-1.12 |
0 |
|
|
444806 |
135263623 |
2 |
NOH10C12 |
ABC10D12 |
24.77 |
3.73 |
-8.62 |
-0.52 |
0 |
|
|
444807 |
135263624 |
1 |
O2N3H19C23 |
A2B3C19D23 |
23.36 |
4.16 |
-8.26 |
-0.65 |
0 |
|
|
444808 |
135263625 |
1 |
BrSN4O7H39C42 |
ABC4D7E39F42 |
-168.92 |
10.23 |
-8.57 |
-1.48 |
0 |
|
|
444809 |
135263628 |
1 |
ClSO3N4C22H31 |
ABC3D4E22F31 |
-146.13 |
7.61 |
-9.33 |
-0.94 |
0 |
|
|
444810 |
135263629 |
1 |
SO3N4C22H30 |
AB3C4D22E30 |
-108.4 |
3.84 |
-9.19 |
-0.64 |
0 |
|
|
444811 |
135263630 |
1 |
ON2C7H14 |
AB2C7D14 |
-21.4 |
3.0 |
-8.98 |
0.32 |
0 |
|
|
444812 |
135263632 |
1 |
N2O2C17H28 |
A2B2C17D28 |
-81.12 |
3.08 |
-8.24 |
0.02 |
0 |
|
|
444813 |
135263633 |
1 |
FSN2O5H25C33 |
ABC2D5E25F33 |
-95.8 |
6.81 |
-8.71 |
-0.98 |
0 |
|
|
444814 |
135263634 |
1 |
O4N9C17H25 |
A4B9C17D25 |
-75.85 |
11.97 |
-9.45 |
-0.96 |
0 |
|
|
444815 |
135263635 |
1 |
O4N5C27H43 |
A4B5C27D43 |
-137.08 |
6.17 |
-9.0 |
-0.06 |
0 |
|
|
444816 |
135263636 |
1 |
N3O4C11H21 |
A3B4C11D21 |
-193.56 |
2.28 |
-9.74 |
-0.32 |
0 |
|
|
444817 |
135263637 |
1 |
N3O4C11H21 |
A3B4C11D21 |
-200.26 |
5.49 |
-10.1 |
-0.22 |
0 |
|
|
444818 |
135263638 |
1 |
N2O5C13H14 |
A2B5C13D14 |
-189.39 |
8.63 |
-9.59 |
-1.05 |
0 |
|
|
444819 |
135263643 |
1 |
NPO4C11H20 |
ABC4D11E20 |
-228.48 |
1.86 |
-7.88 |
0.52 |
0 |
|
|
444820 |
135263652 |
1 |
NO2C16H21 |
AB2C16D21 |
-41.38 |
7.4 |
-10.07 |
-0.93 |
0 |
|
|
444821 |
135263653 |
1 |
NO2C20H23 |
AB2C20D23 |
16.61 |
7.14 |
-9.45 |
-1.46 |
0 |
|
|
444822 |
135263654 |
1 |
O3N6C31H32 |
A3B6C31D32 |
29.53 |
4.47 |
-8.8 |
-1.13 |
0 |
|
|
444823 |
135263655 |
1 |
NO2C15H21 |
AB2C15D21 |
-15.3 |
7.6 |
-9.38 |
-1.43 |
0 |
|
|
444824 |
135263657 |
1 |
NO2C13H17 |
AB2C13D17 |
-55.23 |
7.3 |
-10.12 |
-0.95 |
0 |
|
|
444825 |
135263659 |
1 |
NO3C14H17 |
AB3C14D17 |
-35.87 |
4.86 |
-9.76 |
-1.73 |
0 |
|
|
444826 |
135263662 |
1 |
NO2C14H19 |
AB2C14D19 |
-40.87 |
5.83 |
-9.26 |
0.2 |
0 |
|
|
444827 |
135263665 |
1 |
NO2C16H23 |
AB2C16D23 |
-72.02 |
7.82 |
-10.03 |
-0.93 |
0 |
|
|
444828 |
135263666 |
1 |
NO2C16H23 |
AB2C16D23 |
-20.55 |
7.64 |
-9.41 |
-1.42 |
0 |
|
|
444830 |
135263668 |
1 |
NO2C13H15 |
AB2C13D15 |
74.04 |
6.1 |
-8.73 |
-1.59 |
0 |
|
|
444831 |
135263670 |
1 |
NO2C20H23 |
AB2C20D23 |
-35.8 |
7.15 |
-9.51 |
-0.93 |
0 |
|
|
444832 |
135263672 |
1 |
NO2C16H21 |
AB2C16D21 |
12.59 |
7.37 |
-9.44 |
-1.46 |
0 |
|
|
444833 |
135263675 |
3 |
OC5H6 |
AB5C6 |
-106.63 |
4.83 |
-9.38 |
-0.66 |
0 |
|
|
444834 |
135263677 |
1 |
NO2C15H21 |
AB2C15D21 |
-66.06 |
7.56 |
-10.02 |
-0.92 |
0 |
|
|
444835 |
135263679 |
1 |
NPO4C15H28 |
ABC4D15E28 |
-269.44 |
4.78 |
-8.16 |
0.47 |
0 |
|
|
444836 |
135263680 |
1 |
NPO4C15H28 |
ABC4D15E28 |
-265.89 |
4.14 |
-7.83 |
0.65 |
0 |
|
|
444837 |
135263685 |
1 |
NO2C14H19 |
AB2C14D19 |
-62.84 |
7.66 |
-10.06 |
-0.94 |
0 |
|
|
444838 |
135263694 |
1 |
N2O2C23H32 |
A2B2C23D32 |
-44.64 |
3.03 |
-8.26 |
0.09 |
0 |
|
|
444839 |
135263695 |
1 |
NO2C8H11 |
AB2C8D11 |
-66.48 |
1.92 |
-8.28 |
0.34 |
0 |
|
|
444840 |
135263703 |
1 |
O5C6H12 |
A5B6C12 |
-160.95 |
5.19 |
-9.79 |
-0.75 |
0 |
|
|
444841 |
135263707 |
1 |
BrSO2H13C15 |
ABC2D13E15 |
-17.91 |
1.72 |
-8.92 |
-0.75 |
0 |
|
|
444842 |
135263708 |
1 |
BrSN2O5C38H39 |
ABC2D5E38F39 |
-106.54 |
6.55 |
-8.36 |
-0.89 |
0 |
|
|
444843 |
135263712 |
1 |
ClSN2O3C11H13 |
ABC2D3E11F13 |
-102.81 |
4.43 |
-8.64 |
-1.02 |
0 |
|
|
444844 |
135263725 |
1 |
BrO3C17H19 |
AB3C17D19 |
-70.67 |
1.89 |
-8.42 |
-0.45 |
0 |
|
|
444845 |
135263730 |
1 |
SO3N4C23H32 |
AB3C4D23E32 |
-113.38 |
2.34 |
-9.27 |
-0.84 |
0 |
|
|
444846 |
135263745 |
1 |
SN2O5H18C19 |
AB2C5D18E19 |
-129.94 |
7.33 |
-8.7 |
-0.93 |
0 |
|
|
444847 |
135263746 |
1 |
FNSO2H26C32 |
ABCD2E26F32 |
2.52 |
4.57 |
-8.56 |
-0.88 |
0 |
|
|
444848 |
135263747 |
1 |
SO5N7C36H41 |
AB5C7D36E41 |
-103.38 |
6.65 |
-8.28 |
-0.98 |
0 |
|
|
444849 |
135263748 |
1 |
N2O2C13H22 |
A2B2C13D22 |
-85.66 |
0.97 |
-8.21 |
0.25 |
0 |
|
|
444850 |
135263749 |
1 |
N2O2C13H22 |
A2B2C13D22 |
-79.37 |
1.4 |
-8.38 |
0.26 |
0 |
|
|
444851 |
135263750 |
1 |
FS2N6O7H53C55 |
AB2C6D7E53F55 |
-151.59 |
6.32 |
-8.62 |
-1.02 |
0 |
|
|
444852 |
135263751 |
1 |
ClSO3N4C23H33 |
ABC3D4E23F33 |
-146.59 |
3.19 |
-9.37 |
-0.9 |
0 |
|
|
444853 |
135263753 |
1 |
ON2C18H20 |
AB2C18D20 |
17.49 |
2.48 |
-9.01 |
-0.86 |
0 |
|
|
444854 |
135263754 |
1 |
N2O5C16H24 |
A2B5C16D24 |
-230.69 |
3.49 |
-9.86 |
-1.84 |
0 |
|
|
444855 |
135263755 |
1 |
N2O5C12H16 |
A2B5C12D16 |
-206.42 |
10.98 |
-10.4 |
-2.08 |
0 |
|
|
444856 |
135263756 |
1 |
O4N5H21C26 |
A4B5C21D26 |
-15.8 |
7.76 |
-8.85 |
-0.97 |
0 |
|
|
444857 |
135263760 |
1 |
N4O5C22H38 |
A4B5C22D38 |
-238.99 |
6.92 |
-8.98 |
-1.66 |
0 |
|
|
444858 |
135263761 |
1 |
BrNO2C13H18 |
ABC2D13E18 |
-92.56 |
1.26 |
-9.38 |
-0.08 |
0 |
|
|
444859 |
135263762 |
1 |
FSO5N6H41C42 |
ABC5D6E41F42 |
-127.11 |
5.04 |
-8.36 |
-0.96 |
0 |
|
|
444860 |
135263763 |
1 |
BrSN2O3C28H29 |
ABC2D3E28F29 |
-20.09 |
7.14 |
-8.36 |
-0.86 |
0 |
|
|
444861 |
135263767 |
1 |
ISN3O4H16C21 |
ABC3D4E16F21 |
-51.91 |
7.74 |
-8.98 |
-0.84 |
0 |
|
|
444862 |
135263768 |
1 |
NPO4C7H12 |
ABC4D7E12 |
-221.42 |
6.1 |
-8.72 |
-0.08 |
0 |
|
|
444863 |
135263770 |
1 |
FBr2O3H5C8 |
AB2C3D5E8 |
-125.53 |
5.0 |
-9.84 |
-1.7 |
0 |
|
|
444864 |
135263779 |
1 |
NPO4C11H20 |
ABC4D11E20 |
-240.43 |
4.48 |
-8.27 |
0.4 |
0 |
|
|
444865 |
135263780 |
1 |
SC4O4H8 |
AB4C4D8 |
-181.69 |
2.97 |
-10.28 |
-1.09 |
0 |
|
|
444866 |
135263781 |
1 |
SC4O5H8 |
AB4C5D8 |
-226.92 |
5.27 |
-8.97 |
-0.7 |
0 |
|
|
444867 |
135263782 |
1 |
ON3H23C31 |
AB3C23D31 |
104.38 |
2.98 |
-8.32 |
-0.78 |
0 |
|
|
444868 |
135263783 |
1 |
N2O3H22C25 |
A2B3C22D25 |
-29.46 |
3.51 |
-8.58 |
-0.8 |
0 |
|
|
444869 |
135263784 |
1 |
ClNSO3C5H16 |
ABCD3E5F16 |
-190.97 |
4.91 |
-9.24 |
0.25 |
0 |
|
|
444870 |
135263785 |
1 |
N2O2C13H22 |
A2B2C13D22 |
-85.51 |
2.17 |
-8.47 |
0.23 |
0 |
|
|
444871 |
135263786 |
1 |
N2O2C13H22 |
A2B2C13D22 |
-81.46 |
1.54 |
-8.4 |
0.26 |
0 |
|
|
444872 |
135263787 |
1 |
ClN2H15C20 |
AB2C15D20 |
71.8 |
3.42 |
-8.35 |
-0.89 |
0 |
|
|
444873 |
135263788 |
1 |
NSF3O4C7H14 |
ABC3D4E7F14 |
-336.22 |
5.42 |
-9.44 |
-0.59 |
0 |
|
|
444874 |
135263790 |
1 |
NSF3O5C7H16 |
ABC3D5E7F16 |
-390.33 |
7.25 |
-8.56 |
-0.61 |
0 |
|
|
444875 |
135263792 |
2 |
NO2C13H13 |
AB2C13D13 |
-80.99 |
5.26 |
-8.2 |
-1.02 |
0 |
|
|
444876 |
135263794 |
1 |
NO2C9H13 |
AB2C9D13 |
-67.28 |
2.26 |
-8.3 |
0.32 |
0 |
|
|
444877 |
135263795 |
1 |
SF3O4N6H21C27 |
AB3C4D6E21F27 |
-191.63 |
8.0 |
-8.97 |
-1.17 |
0 |
|
|
444878 |
135263797 |
1 |
NO2C15H21 |
AB2C15D21 |
-14.52 |
7.5 |
-9.41 |
-1.43 |
0 |
|
|
444879 |
135263798 |
1 |
ClO2N4C12H13 |
AB2C4D12E13 |
-37.21 |
6.03 |
-9.3 |
-1.05 |
0 |
|
|
444880 |
135263799 |
1 |
NSO2C11H15 |
ABC2D11E15 |
-39.88 |
2.08 |
-8.6 |
-0.75 |
0 |
|
|
444881 |
135263800 |
1 |
FS2N4O9C51H59 |
AB2C4D9E51F59 |
-314.26 |
6.93 |
-8.62 |
-1.05 |
0 |
|
|
444882 |
135263801 |
2 |
ON2H10C11 |
AB2C10D11 |
38.0 |
5.53 |
-8.66 |
-0.78 |
0 |
|
|
444883 |
135263802 |
1 |
O3N6C26H26 |
A3B6C26D26 |
0.74 |
9.15 |
-9.04 |
-1.07 |
0 |
|
|
444884 |
135263803 |
1 |
BrNC11H12 |
ABC11D12 |
20.32 |
3.72 |
-9.15 |
0.08 |
0 |