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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
143737 |
53253231 |
1 |
ON3C23H23 |
AB3C23D23 |
24.1 |
7.11 |
-8.32 |
-0.54 |
0 |
|
|
143738 |
53253232 |
1 |
O2N3C23H23 |
A2B3C23D23 |
-15.85 |
2.12 |
-8.35 |
-0.68 |
0 |
|
|
143739 |
53253233 |
1 |
O2N3H21C24 |
A2B3C21D24 |
-2.6 |
2.19 |
-8.5 |
-0.96 |
0 |
|
|
143740 |
53253234 |
1 |
FN7C21H24 |
AB7C21D24 |
58.52 |
7.46 |
-9.03 |
-1.06 |
0 |
|
|
143741 |
53253235 |
1 |
FON7C18H20 |
ABC7D18E20 |
3.17 |
6.08 |
-9.11 |
-1.14 |
0 |
|
|
143742 |
53253236 |
1 |
ON6C16H16 |
AB6C16D16 |
78.19 |
6.49 |
-9.11 |
-1.29 |
0 |
|
|
143743 |
53253237 |
1 |
N6C19H20 |
A6B19C20 |
105.41 |
5.01 |
-9.08 |
-1.35 |
0 |
|
|
143744 |
53253238 |
1 |
SF2O4N5H15C22 |
AB2C4D5E15F22 |
-153.42 |
5.17 |
-8.9 |
-1.74 |
0 |
|
|
143745 |
53253414 |
1 |
ClO2H15C17 |
AB2C15D17 |
-43.8 |
1.75 |
-9.16 |
-0.86 |
0 |
|
|
143746 |
53253415 |
1 |
FO2H13C16 |
AB2C13D16 |
-71.16 |
1.87 |
-9.17 |
-0.96 |
0 |
|
|
143747 |
53253824 |
1 |
ClFN2O2H18C19 |
ABC2D2E18F19 |
-112.32 |
5.26 |
-9.18 |
-1.21 |
0 |
|
|
143748 |
53253967 |
1 |
S2Si4O7C49H94 |
A2B4C7D49E94 |
-554.25 |
7.17 |
-8.49 |
-0.89 |
0 |
|
|
143749 |
53254434 |
1 |
N2O5C13H14 |
A2B5C13D14 |
-37.57 |
5.73 |
-9.96 |
-1.48 |
0 |
|
|
143750 |
53254435 |
1 |
N2F3O7C20H25 |
A2B3C7D20E25 |
-444.35 |
3.16 |
-9.36 |
-1.12 |
0 |
|
|
143751 |
53254436 |
1 |
N2O7C20H28 |
A2B7C20D28 |
-283.05 |
2.38 |
-8.87 |
-0.85 |
0 |
|
|
143752 |
53254437 |
2 |
NO3C10H14 |
AB3C10D14 |
-253.32 |
3.33 |
-9.03 |
-0.78 |
0 |
|
|
143753 |
53254438 |
1 |
ClN2O6C19H25 |
AB2C6D19E25 |
-250.86 |
1.71 |
-9.33 |
-1.01 |
0 |
|
|
143754 |
53254439 |
2 |
NOC5H6 |
ABC5D6 |
-35.83 |
2.7 |
-8.94 |
-0.35 |
0 |
|
|
143755 |
53254497 |
1 |
BrO4C12H13 |
AB4C12D13 |
-151.15 |
3.4 |
-8.53 |
-1.01 |
0 |
|
|
143757 |
53254776 |
1 |
NO3C17H19 |
AB3C17D19 |
-85.48 |
3.49 |
-8.43 |
-0.23 |
0 |
|
|
143758 |
53255867 |
1 |
N2O5C18H24 |
A2B5C18D24 |
-223.96 |
4.0 |
-9.79 |
-1.2 |
0 |
|
|
143759 |
53256880 |
1 |
OCl2N2C12H16 |
AB2C2D12E16 |
-72.66 |
1.97 |
-9.27 |
-0.64 |
0 |
|
|
143760 |
53257023 |
1 |
ClOSN3H14C21 |
ABCD3E14F21 |
97.15 |
3.59 |
-9.04 |
-1.4 |
0 |
|
|
143761 |
53257061 |
1 |
SN3F4O5H15C20 |
AB3C4D5E15F20 |
-324.41 |
8.44 |
-9.15 |
-1.24 |
0 |
|
|
143762 |
53257062 |
1 |
SF3N3O6H18C21 |
AB3C3D6E18F21 |
-310.63 |
10.93 |
-8.96 |
-1.02 |
0 |
|
|
143763 |
53257063 |
1 |
SF3N3O6H22C27 |
AB3C3D6E22F27 |
-295.64 |
9.48 |
-9.02 |
-1.17 |
0 |
|
|
143764 |
53257127 |
1 |
SN4F6C20H20 |
AB4C6D20E20 |
-264.34 |
5.25 |
-8.71 |
-1.29 |
0 |
|
|
143765 |
53257153 |
1 |
OSCl2N4C17H18 |
ABC2D4E17F18 |
22.82 |
3.87 |
-8.5 |
-0.58 |
0 |
|
|
143767 |
53257582 |
1 |
ON8C18H22 |
AB8C18D22 |
66.51 |
2.5 |
-8.44 |
-0.7 |
0 |
|
|
143768 |
53257942 |
2 |
ON6C23H25 |
AB6C23D25 |
93.96 |
7.77 |
-8.5 |
-0.58 |
0 |
|
|
143769 |
53258000 |
1 |
FO4N5H22C26 |
AB4C5D22E26 |
-28.72 |
2.61 |
-9.36 |
-1.41 |
0 |
|
|
143770 |
53258581 |
1 |
O2N5H13C15 |
A2B5C13D15 |
46.74 |
5.88 |
-9.16 |
-1.41 |
0 |
|
|
143771 |
53259166 |
1 |
NOSSiC26H33 |
ABCDE26F33 |
-21.21 |
7.35 |
-8.54 |
-0.62 |
0 |
|
|
143772 |
53259167 |
1 |
NOPSSiC38H42 |
ABCDEF38G42 |
25.45 |
6.1 |
-8.24 |
-0.56 |
0 |
|
|
143773 |
53259328 |
1 |
O7C23H30 |
A7B23C30 |
-254.11 |
6.05 |
-9.07 |
-0.49 |
0 |
|
|
143774 |
53259446 |
1 |
O2N5H25C28 |
A2B5C25D28 |
34.72 |
2.09 |
-9.0 |
-1.26 |
0 |
|
|
143775 |
53259504 |
1 |
NOC16H23 |
ABC16D23 |
-8.58 |
0.77 |
-8.53 |
0.36 |
0 |
|
|
143776 |
53260213 |
1 |
SN2O4C22H28 |
AB2C4D22E28 |
-146.48 |
7.17 |
-8.34 |
-0.61 |
0 |
|
|
143777 |
53260769 |
1 |
FN3O3H20C23 |
AB3C3D20E23 |
-93.67 |
3.15 |
-9.16 |
-1.52 |
0 |
|
|
143778 |
53260770 |
1 |
ClO2N4H21C23 |
AB2C4D21E23 |
-14.6 |
7.77 |
-9.17 |
-1.37 |
0 |
|
|
143779 |
53260771 |
2 |
ON2C12H12 |
AB2C12D12 |
-16.79 |
4.75 |
-9.08 |
-1.31 |
0 |
|
|
143780 |
53260772 |
1 |
O2N6H26C27 |
A2B6C26D27 |
31.11 |
5.82 |
-8.65 |
-1.26 |
0 |
|
|
143781 |
53260773 |
1 |
OF4N6C20H20 |
AB4C6D20E20 |
-173.53 |
5.12 |
-9.15 |
-1.21 |
0 |
|
|
143782 |
53260774 |
1 |
FO2N6C22H27 |
AB2C6D22E27 |
-64.65 |
6.54 |
-8.97 |
-0.96 |
0 |
|
|
143783 |
53260775 |
1 |
FON6C23H27 |
ABC6D23E27 |
-4.31 |
7.99 |
-8.9 |
-0.91 |
0 |
|
|
143784 |
53260776 |
1 |
FON6C23H27 |
ABC6D23E27 |
-21.79 |
4.43 |
-9.08 |
-1.13 |
0 |
|
|
143785 |
53260859 |
1 |
NO3C15H19 |
AB3C15D19 |
-45.24 |
2.75 |
-9.49 |
-0.38 |
0 |
|
|
143786 |
53260864 |
1 |
N3O5C23H29 |
A3B5C23D29 |
-131.94 |
7.16 |
-9.42 |
-0.46 |
0 |
|
|
143787 |
53261799 |
1 |
N5C27H27 |
A5B27C27 |
118.94 |
1.92 |
-8.46 |
-0.82 |
0 |
|
|
143788 |
53263020 |
1 |
ClN2O3H11C12 |
AB2C3D11E12 |
-72.8 |
3.02 |
-9.02 |
-0.67 |
0 |
|
|
143789 |
53263021 |
1 |
BrN2O2C15H17 |
AB2C2D15E17 |
-25.37 |
5.35 |
-9.49 |
-0.58 |
0 |
|
|
143790 |
53263022 |
1 |
BrN2O2C10H15 |
AB2C2D10E15 |
-62.36 |
0.47 |
-9.44 |
-0.56 |
0 |
|
|
143791 |
53263697 |
1 |
BrOSN3C15H20 |
ABCD3E15F20 |
5.97 |
3.65 |
-8.52 |
-0.16 |
0 |
|
|
143792 |
53263919 |
1 |
NO4C20H23 |
AB4C20D23 |
-140.59 |
4.36 |
-9.03 |
-0.23 |
0 |
|
|
143793 |
53264305 |
1 |
O2N5C14H15 |
A2B5C14D15 |
43.63 |
4.48 |
-8.28 |
-0.29 |
0 |
|
|
143794 |
53264715 |
1 |
F2N2O2H14C17 |
A2B2C2D14E17 |
-91.34 |
2.58 |
-8.48 |
-0.82 |
0 |
|
|
143795 |
53264716 |
1 |
FN2O2H15C17 |
AB2C2D15E17 |
-48.3 |
3.32 |
-8.32 |
-0.69 |
0 |
|
|
143796 |
53265023 |
1 |
KOSN2H7C9 |
ABCD2E7F9 |
-18.9 |
7.8 |
-7.53 |
0.09 |
0 |
|
|
143797 |
53265181 |
2 |
SN2O3C16H16 |
AB2C3D16E16 |
-176.18 |
9.64 |
-8.39 |
-1.77 |
0 |
|
|
143798 |
53265246 |
1 |
BrO2N6H17C19 |
AB2C6D17E19 |
92.2 |
7.43 |
-8.36 |
-1.19 |
0 |
|
|
143799 |
53265550 |
1 |
SN6H14C16 |
AB6C14D16 |
153.97 |
4.94 |
-8.54 |
-1.08 |
0 |
|
|
143800 |
53265706 |
3 |
ON2C9H10 |
AB2C9D10 |
32.39 |
2.58 |
-8.62 |
-1.0 |
0 |
|
|
143801 |
53265886 |
1 |
NO4C23H29 |
AB4C23D29 |
-154.28 |
6.74 |
-8.87 |
-0.67 |
0 |
|
|
143802 |
53266110 |
1 |
NO4C21H25 |
AB4C21D25 |
-147.26 |
4.98 |
-9.06 |
-0.62 |
0 |
|
|
143803 |
53266157 |
1 |
NO2C21H27 |
AB2C21D27 |
-77.23 |
3.05 |
-8.88 |
0.04 |
0 |
|
|
143804 |
53266307 |
1 |
NO4C21H25 |
AB4C21D25 |
-148.65 |
3.76 |
-9.0 |
-0.61 |
0 |
|
|
143805 |
53266456 |
1 |
N2O3C18H20 |
A2B3C18D20 |
-99.81 |
5.2 |
-9.02 |
-0.49 |
0 |
|
|
143806 |
53266457 |
1 |
NO4C23H29 |
AB4C23D29 |
-164.66 |
5.84 |
-8.97 |
-0.64 |
0 |
|
|
143807 |
53266458 |
1 |
NO2F3C18H18 |
AB2C3D18E18 |
-217.99 |
4.67 |
-9.0 |
-0.55 |
0 |
|
|
143808 |
53266459 |
1 |
ClNO3H22C24 |
ABC3D22E24 |
-68.41 |
2.46 |
-8.66 |
-1.13 |
0 |
|
|
143809 |
53266460 |
1 |
ClNO2C20H24 |
ABC2D20E24 |
-77.73 |
4.24 |
-9.07 |
-0.27 |
0 |
|
|
143810 |
53266478 |
1 |
N2O5C20H24 |
A2B5C20D24 |
-100.36 |
7.5 |
-8.94 |
-1.43 |
0 |
|
|
143811 |
53266665 |
1 |
N2O4C25H26 |
A2B4C25D26 |
-41.05 |
7.41 |
-9.23 |
-1.22 |
0 |
|
|
143812 |
53266666 |
1 |
N2O4C25H26 |
A2B4C25D26 |
-40.92 |
9.27 |
-9.25 |
-1.21 |
0 |
|
|
143813 |
53266817 |
1 |
ClNO4C21H26 |
ABC4D21E26 |
-152.79 |
3.86 |
-8.24 |
-0.38 |
0 |
|
|
143814 |
53266818 |
1 |
INO2C20H24 |
ABC2D20E24 |
-58.17 |
6.04 |
-8.79 |
-0.69 |
0 |
|
|
143815 |
53266819 |
1 |
SN2O2C27H28 |
AB2C2D27E28 |
-26.94 |
4.54 |
-8.72 |
-0.77 |
0 |
|
|
143816 |
53266820 |
1 |
N2O2C21H28 |
A2B2C21D28 |
-65.37 |
3.49 |
-7.88 |
0.18 |
0 |
|
|
143817 |
53266821 |
1 |
NO2C19H23 |
AB2C19D23 |
-69.92 |
3.07 |
-8.68 |
0.1 |
0 |
|
|
143818 |
53266822 |
1 |
NO2C19H23 |
AB2C19D23 |
-71.3 |
2.48 |
-8.49 |
0.14 |
0 |
|
|
143819 |
53266947 |
1 |
NCl2O4H21C24 |
AB2C4D21E24 |
-120.71 |
5.71 |
-8.92 |
-0.92 |
0 |
|
|
143820 |
53267292 |
1 |
BrFN2O2H12C17 |
ABC2D2E12F17 |
-27.88 |
6.77 |
-9.11 |
-1.41 |
0 |
|
|
143821 |
53267293 |
1 |
BrFN2O2H16C19 |
ABC2D2E16F19 |
-40.7 |
6.06 |
-9.13 |
-1.4 |
0 |
|
|
143822 |
53267294 |
1 |
BrFNO4H23C25 |
ABCD4E23F25 |
-119.19 |
4.52 |
-8.33 |
-0.92 |
0 |
|
|
143823 |
53267295 |
1 |
BrClFNO3H20C24 |
ABCDE3F20G24 |
-89.36 |
5.42 |
-8.8 |
-0.94 |
0 |
|
|
143824 |
53267296 |
1 |
BrFN3O5H9C14 |
ABC3D5E9F14 |
-46.09 |
1.54 |
-9.56 |
-2.37 |
0 |
|
|
143825 |
53267297 |
1 |
BrFN2O6H20C24 |
ABC2D6E20F24 |
-114.7 |
11.48 |
-8.9 |
-1.24 |
0 |
|
|
143826 |
53267298 |
1 |
BrClFNO3H22C25 |
ABCDE3F22G25 |
-94.1 |
3.46 |
-8.72 |
-0.79 |
0 |
|
|
143827 |
53267368 |
1 |
BrFNO3H23C25 |
ABCD3E23F25 |
-83.05 |
5.2 |
-8.71 |
-0.96 |
0 |
|
|
143828 |
53267369 |
1 |
BrFNO3H23C25 |
ABCD3E23F25 |
-83.98 |
3.13 |
-8.52 |
-0.86 |
0 |
|
|
143829 |
53267370 |
1 |
BrFNO5H25C27 |
ABCD5E25F27 |
-170.44 |
4.31 |
-8.97 |
-1.05 |
0 |
|
|
143830 |
53267371 |
1 |
BrFNO5H25C27 |
ABCD5E25F27 |
-166.11 |
3.01 |
-9.1 |
-0.87 |
0 |
|
|
143831 |
53267372 |
1 |
BrFN2O6H20C24 |
ABC2D6E20F24 |
-115.84 |
8.22 |
-8.99 |
-1.42 |
0 |
|
|
143832 |
53267373 |
1 |
BrFN2O6H20C24 |
ABC2D6E20F24 |
-117.51 |
3.84 |
-8.93 |
-1.59 |
0 |
|
|
143833 |
53267374 |
1 |
BrClNO5H27C32 |
ABCD5E27F32 |
-99.51 |
7.45 |
-8.56 |
-1.23 |
0 |
|
|
143834 |
53267375 |
1 |
BrFNO3H25C26 |
ABCD3E25F26 |
-86.72 |
7.31 |
-8.7 |
-0.67 |
0 |
|
|
143835 |
53267521 |
1 |
BrClNO3H21C24 |
ABCD3E21F24 |
-44.39 |
5.18 |
-8.65 |
-0.89 |
0 |
|
|
143836 |
53267522 |
1 |
BrNO2Cl3H9C14 |
ABC2D3E9F14 |
-52.91 |
2.75 |
-9.26 |
-0.88 |
0 |
|
|
143837 |
53267523 |
1 |
BrClN2O3H16C19 |
ABC2D3E16F19 |
-81.29 |
7.07 |
-8.97 |
-1.79 |
0 |
|
|
143838 |
53267524 |
1 |
BrClN2O3H18C20 |
ABC2D3E18F20 |
-83.73 |
6.17 |
-9.04 |
-1.75 |
0 |