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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
128697 |
51054561 |
1 |
BrS2N6H7C11 |
AB2C6D7E11 |
206.86 |
4.08 |
-9.67 |
-2.1 |
0 |
|
|
128698 |
51054639 |
4 |
NOC4H7 |
ABC4D7 |
-114.66 |
2.97 |
-8.32 |
-0.7 |
0 |
|
|
128699 |
51054654 |
1 |
OSF2N6H12C17 |
ABC2D6E12F17 |
19.65 |
4.54 |
-9.57 |
-1.64 |
0 |
|
|
128700 |
51054724 |
1 |
N3O3H19C20 |
A3B3C19D20 |
-31.45 |
8.02 |
-8.54 |
-0.74 |
0 |
|
|
128701 |
51054761 |
1 |
ClN2O4H17C20 |
AB2C4D17E20 |
-85.65 |
2.18 |
-8.86 |
-1.22 |
0 |
|
|
128702 |
51054763 |
1 |
ClO3N4C23H23 |
AB3C4D23E23 |
-29.79 |
1.39 |
-8.15 |
-0.83 |
0 |
|
|
128703 |
51054764 |
1 |
FN3O3C22H22 |
AB3C3D22E22 |
-95.38 |
6.97 |
-8.62 |
-1.07 |
0 |
|
|
128704 |
51054765 |
1 |
FSO3N4H17C20 |
ABC3D4E17F20 |
-65.7 |
7.17 |
-8.81 |
-1.54 |
0 |
|
|
128705 |
51054891 |
1 |
N2O3H20C24 |
A2B3C20D24 |
-16.09 |
4.7 |
-8.55 |
-0.97 |
0 |
|
|
128706 |
51054930 |
1 |
ClN2O2C17H17 |
AB2C2D17E17 |
-73.22 |
7.08 |
-9.19 |
-0.86 |
0 |
|
|
128707 |
51054931 |
1 |
ClF2N3O3H14C19 |
AB2C3D3E14F19 |
-131.45 |
10.53 |
-9.11 |
-1.24 |
0 |
|
|
128708 |
51054932 |
1 |
O2N3C20H23 |
A2B3C20D23 |
-68.12 |
7.02 |
-7.85 |
-0.95 |
0 |
|
|
128709 |
51054933 |
2 |
N2O2C11H11 |
A2B2C11D11 |
-50.58 |
7.35 |
-8.44 |
-1.06 |
0 |
|
|
128710 |
51054934 |
1 |
FSO2N5C17H20 |
ABC2D5E17F20 |
-69.96 |
3.14 |
-9.16 |
-1.18 |
0 |
|
|
128711 |
51054935 |
1 |
N3O3H15C16 |
A3B3C15D16 |
-82.27 |
9.56 |
-8.94 |
-1.25 |
0 |
|
|
128712 |
51054936 |
1 |
SN2O4C17H18 |
AB2C4D17E18 |
-129.94 |
7.67 |
-9.55 |
-1.14 |
0 |
|
|
128713 |
51054991 |
1 |
FSO2N5C15H16 |
ABC2D5E15F16 |
-60.17 |
2.03 |
-9.14 |
-1.1 |
0 |
|
|
128714 |
51055042 |
1 |
F3N4O5H17C18 |
A3B4C5D17E18 |
-348.73 |
4.88 |
-9.28 |
-1.02 |
0 |
|
|
128715 |
51055043 |
1 |
SO2N4C22H24 |
AB2C4D22E24 |
-26.58 |
4.05 |
-8.18 |
0.02 |
0 |
|
|
128716 |
51055145 |
1 |
N3O25C57H83 |
A3B25C57D83 |
-1179.62 |
6.63 |
-9.67 |
-0.2 |
0 |
|
|
128717 |
51055204 |
1 |
SiO7C46H58 |
AB7C46D58 |
-207.32 |
3.38 |
-9.16 |
0.15 |
0 |
|
|
128718 |
51055342 |
1 |
NOSC11H15 |
ABCD11E15 |
-6.74 |
3.68 |
-8.9 |
-0.11 |
0 |
|
|
128719 |
51055429 |
1 |
NOSH19C20 |
ABCD19E20 |
40.99 |
3.64 |
-8.82 |
-0.46 |
0 |
|
|
128720 |
51055456 |
1 |
NS2O3C16H19 |
AB2C3D16E19 |
-55.91 |
5.21 |
-9.04 |
-0.34 |
0 |
|
|
128721 |
51055651 |
1 |
ClON3C17H22 |
ABC3D17E22 |
-43.69 |
2.81 |
-8.66 |
-0.21 |
0 |
|
|
128722 |
51055652 |
1 |
ClN2O2C17H21 |
AB2C2D17E21 |
-91.02 |
2.02 |
-8.79 |
-0.29 |
0 |
|
|
128723 |
51055653 |
1 |
ON3C17H23 |
AB3C17D23 |
-12.32 |
3.56 |
-8.3 |
-0.24 |
0 |
|
|
128724 |
51055698 |
1 |
ON3C6H11 |
AB3C6D11 |
-18.14 |
4.36 |
-9.25 |
0.22 |
0 |
|
|
128725 |
51055707 |
2 |
F2N2O4H7C11 |
A2B2C4D7E11 |
-269.24 |
5.71 |
-9.47 |
-1.85 |
0 |
|
|
128726 |
51055726 |
1 |
N2O4C17H22 |
A2B4C17D22 |
-147.57 |
5.71 |
-9.04 |
0.35 |
0 |
|
|
128727 |
51055806 |
1 |
N14O19C42H66 |
A14B19C42D66 |
-597.75 |
7.39 |
-8.89 |
-0.89 |
0 |
|
|
128728 |
51055807 |
1 |
N6O9H34C40 |
A6B9C34D40 |
-152.17 |
11.67 |
-9.44 |
-1.0 |
0 |
|
|
128729 |
51055808 |
1 |
N3O13H33C40 |
A3B13C33D40 |
-361.29 |
5.29 |
-9.82 |
-1.23 |
0 |
|
|
128730 |
51055838 |
1 |
SN2O8C28H30 |
AB2C8D28E30 |
-264.79 |
8.61 |
-9.75 |
-0.54 |
0 |
|
|
128731 |
51055842 |
1 |
N2O6C13H18 |
A2B6C13D18 |
-242.75 |
1.88 |
-10.09 |
-0.93 |
0 |
|
|
128732 |
51055859 |
2 |
N4O12C21H21 |
A4B12C21D21 |
-466.73 |
3.12 |
-10.7 |
-2.74 |
0 |
|
|
128733 |
51055909 |
1 |
ClNO4C6H12 |
ABC4D6E12 |
-194.0 |
7.48 |
-9.85 |
-0.25 |
0 |
|
|
128734 |
51055910 |
1 |
NO5C33H33 |
AB5C33D33 |
-98.27 |
2.94 |
-8.2 |
-0.01 |
0 |
|
|
128735 |
51056001 |
1 |
NO3C12H17 |
AB3C12D17 |
-118.14 |
2.53 |
-9.74 |
-0.2 |
0 |
|
|
128736 |
51056087 |
1 |
N2O5C25H28 |
A2B5C25D28 |
-148.01 |
6.09 |
-8.51 |
-0.73 |
0 |
|
|
128737 |
51056179 |
1 |
ON3H15C19 |
AB3C15D19 |
77.61 |
1.67 |
-8.66 |
-0.8 |
0 |
|
|
128738 |
51056226 |
1 |
BrN2O3H13C19 |
AB2C3D13E19 |
-20.8 |
3.43 |
-9.57 |
-1.63 |
0 |
|
|
128739 |
51056335 |
1 |
O2N5C9H17 |
A2B5C9D17 |
15.03 |
5.09 |
-9.26 |
-0.79 |
0 |
|
|
128740 |
51056579 |
1 |
BrClSN2O2H12C17 |
ABCD2E2F12G17 |
-23.34 |
4.88 |
-8.78 |
-1.56 |
0 |
|
|
128741 |
51056580 |
1 |
N3O6H13C15 |
A3B6C13D15 |
-69.71 |
6.35 |
-8.83 |
-1.84 |
0 |
|
|
128742 |
51056581 |
2 |
NO2C9H9 |
AB2C9D9 |
-88.69 |
7.19 |
-8.95 |
-0.84 |
0 |
|
|
128743 |
51056582 |
3 |
NOC6H7 |
ABC6D7 |
-54.7 |
5.24 |
-8.6 |
-0.74 |
0 |
|
|
128744 |
51056744 |
1 |
SN2O2C15H16 |
AB2C2D15E16 |
-49.74 |
3.18 |
-8.59 |
-0.73 |
0 |
|
|
128745 |
51056808 |
1 |
ON5H9C13 |
AB5C9D13 |
79.02 |
1.48 |
-9.26 |
-1.57 |
0 |
|
|
128746 |
51056904 |
1 |
SN2O5C8H16 |
AB2C5D8E16 |
-223.84 |
7.02 |
-9.39 |
-0.44 |
0 |
|
|
128747 |
51056956 |
1 |
ClSN2O2C12H15 |
ABC2D2E12F15 |
-89.65 |
2.44 |
-9.25 |
-0.83 |
0 |
|
|
128748 |
51056996 |
1 |
NO4C23H27 |
AB4C23D27 |
-162.02 |
1.63 |
-8.7 |
-0.24 |
0 |
|
|
128749 |
51057072 |
1 |
BN2O2C33H33 |
AB2C2D33E33 |
75.36 |
16.42 |
-7.78 |
-2.52 |
0 |
|
|
128750 |
51057103 |
1 |
Cl2O2N3C16H19 |
A2B2C3D16E19 |
-66.16 |
8.56 |
-9.06 |
-1.09 |
0 |
|
|
128751 |
51057104 |
1 |
ClSN4O5C25H33 |
ABC4D5E25F33 |
-137.15 |
3.53 |
-8.45 |
-1.32 |
0 |
|
|
128752 |
51057133 |
1 |
OBr3N3C23H24 |
AB3C3D23E24 |
33.68 |
1.9 |
-8.82 |
-0.87 |
0 |
|
|
128753 |
51057151 |
1 |
BN3O3C38H42 |
AB3C3D38E42 |
26.78 |
2.82 |
-8.04 |
-1.78 |
0 |
|
|
128754 |
51057158 |
1 |
FON2H13C16 |
ABC2D13E16 |
-5.12 |
3.14 |
-8.94 |
-0.57 |
0 |
|
|
128755 |
51057184 |
1 |
N2O3C13H16 |
A2B3C13D16 |
-114.21 |
3.55 |
-9.42 |
-0.22 |
0 |
|
|
128756 |
51057185 |
1 |
ClN2O5C20H29 |
AB2C5D20E29 |
-214.42 |
4.95 |
-8.72 |
-0.58 |
0 |
|
|
128757 |
51057186 |
1 |
ClO4H15C16 |
AB4C15D16 |
-127.38 |
4.15 |
-8.94 |
-0.24 |
0 |
|
|
128758 |
51057199 |
1 |
NSO3C17H17 |
ABC3D17E17 |
-65.97 |
4.72 |
-8.72 |
-0.61 |
0 |
|
|
128759 |
51057207 |
1 |
SO2F3N4H15C17 |
AB2C3D4E15F17 |
-113.59 |
5.97 |
-9.26 |
-1.4 |
0 |
|
|
128760 |
51057208 |
1 |
SN2O8C30H30 |
AB2C8D30E30 |
-220.7 |
3.84 |
-8.53 |
-1.44 |
0 |
|
|
128761 |
51057265 |
1 |
N3O8C21H25 |
A3B8C21D25 |
-277.34 |
4.46 |
-8.73 |
-1.56 |
0 |
|
|
128762 |
51057277 |
1 |
ClN2O2H21C23 |
AB2C2D21E23 |
-13.36 |
7.94 |
-8.75 |
-0.68 |
0 |
|
|
128763 |
51057278 |
1 |
ClNBr2O3H14C17 |
ABC2D3E14F17 |
-59.32 |
5.2 |
-8.88 |
-0.74 |
0 |
|
|
128764 |
51057279 |
1 |
ClNBr2O3H14C17 |
ABC2D3E14F17 |
-58.2 |
2.71 |
-8.99 |
-0.78 |
0 |
|
|
128765 |
51057400 |
1 |
ClNO4H12C13 |
ABC4D12E13 |
-107.84 |
7.08 |
-9.12 |
-1.21 |
0 |
|
|
128766 |
51057401 |
1 |
ClO2N3H14C16 |
AB2C3D14E16 |
-0.34 |
5.98 |
-8.69 |
-0.79 |
0 |
|
|
128767 |
51057402 |
1 |
NSO3H21C22 |
ABC3D21E22 |
-69.69 |
6.88 |
-8.46 |
-0.57 |
0 |
|
|
128768 |
51057403 |
1 |
OSN2H18C21 |
ABC2D18E21 |
46.67 |
8.94 |
-8.59 |
-0.62 |
0 |
|
|
128769 |
51057404 |
1 |
Cl2N2O4H12C19 |
A2B2C4D12E19 |
-4.21 |
7.42 |
-8.84 |
-1.76 |
0 |
|
|
128770 |
51057405 |
1 |
ClN2O5H15C20 |
AB2C5D15E20 |
-33.35 |
4.78 |
-8.3 |
-1.66 |
0 |
|
|
128771 |
51057497 |
1 |
ClON2H13C15 |
ABC2D13E15 |
8.8 |
3.25 |
-8.8 |
-1.07 |
0 |
|
|
128772 |
51057498 |
1 |
ON2C16H16 |
AB2C16D16 |
12.18 |
2.33 |
-8.02 |
-0.54 |
0 |
|
|
128773 |
51057499 |
1 |
OBr2N3C15H17 |
AB2C3D15E17 |
-11.15 |
1.1 |
-8.88 |
-1.06 |
0 |
|
|
128774 |
51057500 |
1 |
ClON2C19H19 |
ABC2D19E19 |
2.27 |
5.45 |
-8.75 |
-0.8 |
0 |
|
|
128775 |
51057501 |
2 |
ClN2H5C7 |
AB2C5D7 |
84.92 |
8.76 |
-9.16 |
-0.94 |
0 |
|
|
128776 |
51057541 |
1 |
NCl2O2H13C19 |
AB2C2D13E19 |
-5.58 |
5.03 |
-8.98 |
-1.29 |
0 |
|
|
128777 |
51057542 |
1 |
ClNO2H16C20 |
ABC2D16E20 |
-4.43 |
6.86 |
-8.86 |
-1.1 |
0 |
|
|
128778 |
51057543 |
1 |
NCl2O2H13C19 |
AB2C2D13E19 |
-4.75 |
4.92 |
-8.94 |
-1.23 |
0 |
|
|
128779 |
51057619 |
1 |
NCl2O4H9C13 |
AB2C4D9E13 |
-126.52 |
7.54 |
-9.77 |
-1.51 |
0 |
|
|
128780 |
51057620 |
1 |
IN2O3H13C16 |
AB2C3D13E16 |
-26.0 |
7.8 |
-9.34 |
-1.42 |
0 |
|
|
128781 |
51057659 |
1 |
BrClNO3H13C14 |
ABCD3E13F14 |
-118.16 |
4.08 |
-9.2 |
-1.0 |
0 |
|
|
128782 |
51057660 |
1 |
BrNO2C16H16 |
ABC2D16E16 |
-57.75 |
2.79 |
-8.9 |
-1.03 |
0 |
|
|
128783 |
51057672 |
1 |
BrNO3H22C24 |
ABC3D22E24 |
-38.63 |
3.54 |
-8.24 |
-0.6 |
0 |
|
|
128784 |
51057732 |
1 |
BrN2O3C16H17 |
AB2C3D16E17 |
-14.69 |
4.65 |
-8.25 |
-1.93 |
0 |
|
|
128785 |
51057738 |
1 |
ClOS2N3H10C15 |
ABC2D3E10F15 |
64.69 |
4.31 |
-8.85 |
-1.41 |
0 |
|
|
128786 |
51057797 |
1 |
N2O5C11H12 |
A2B5C11D12 |
-149.96 |
10.2 |
-9.16 |
-1.06 |
0 |
|
|
128787 |
51057826 |
1 |
OSN4C6H12 |
ABC4D6E12 |
1.32 |
2.41 |
-8.71 |
-0.3 |
0 |
|
|
128788 |
51057990 |
1 |
BrSO3H13C18 |
ABC3D13E18 |
-26.59 |
3.28 |
-9.01 |
-1.48 |
0 |
|
|
128789 |
51058009 |
1 |
ClNO4C22H26 |
ABC4D22E26 |
-171.64 |
7.49 |
-9.0 |
-0.6 |
0 |
|
|
128790 |
51058069 |
1 |
ClNO4H18C20 |
ABC4D18E20 |
-79.74 |
6.57 |
-9.07 |
-1.26 |
0 |
|
|
128791 |
51058106 |
2 |
ClNH7C8 |
ABC7D8 |
23.32 |
4.76 |
-8.45 |
-0.84 |
0 |
|
|
128792 |
51058171 |
1 |
ClNO3C23H26 |
ABC3D23E26 |
-79.41 |
4.44 |
-8.54 |
-0.21 |
0 |
|
|
128793 |
51058235 |
1 |
N2O3C24H24 |
A2B3C24D24 |
-28.76 |
3.74 |
-8.72 |
-0.69 |
0 |
|
|
128794 |
51058236 |
1 |
FON2C9H9 |
ABC2D9E9 |
-34.24 |
1.71 |
-9.73 |
-0.96 |
0 |
|
|
128795 |
51058237 |
1 |
N2O3C17H18 |
A2B3C17D18 |
-35.46 |
5.69 |
-8.58 |
-0.63 |
0 |
|
|
128796 |
51058260 |
1 |
BrN2O2H11C13 |
AB2C2D11E13 |
-27.96 |
3.62 |
-8.41 |
-1.21 |
0 |