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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
44775 |
10505882 |
2 |
SiO3C13H23 |
AB3C13D23 |
-350.11 |
3.47 |
-8.69 |
-0.81 |
0 |
|
|
44776 |
10505883 |
1 |
ClO11C23H23 |
AB11C23D23 |
-192.34 |
7.74 |
-8.97 |
-3.24 |
0 |
|
|
44777 |
10505884 |
1 |
O7H22C23 |
A7B22C23 |
-179.33 |
6.49 |
-8.97 |
-0.71 |
0 |
|
|
44778 |
10505918 |
1 |
BrN3O5H22C24 |
AB3C5D22E24 |
-84.17 |
7.25 |
-8.49 |
-0.84 |
0 |
|
|
44779 |
10505924 |
1 |
BrS2N3O3C21H26 |
AB2C3D3E21F26 |
-79.7 |
6.94 |
-8.43 |
-1.04 |
0 |
|
|
44780 |
10505925 |
1 |
N2O8C27H32 |
A2B8C27D32 |
-256.88 |
4.85 |
-9.25 |
-1.09 |
0 |
|
|
44781 |
10505937 |
1 |
N2O3C33H40 |
A2B3C33D40 |
-89.97 |
4.08 |
-8.14 |
-0.44 |
0 |
|
|
44782 |
10505938 |
1 |
O4C33H52 |
A4B33C52 |
-144.14 |
0.75 |
-9.38 |
-0.45 |
0 |
|
|
44783 |
10505940 |
1 |
O3C34H56 |
A3B34C56 |
-209.75 |
1.88 |
-8.99 |
0.98 |
0 |
|
|
44784 |
10505944 |
1 |
BrClNO2C27H27 |
ABCD2E27F27 |
-26.32 |
4.93 |
-8.67 |
-0.21 |
0 |
|
|
44785 |
10505946 |
1 |
OSiC34H60 |
ABC34D60 |
-175.48 |
1.59 |
-8.66 |
0.93 |
0 |
|
|
44786 |
10505953 |
1 |
N3O7C27H35 |
A3B7C27D35 |
-239.42 |
6.93 |
-9.63 |
-1.33 |
0 |
|
|
44787 |
10505955 |
1 |
N3O6C28H39 |
A3B6C28D39 |
-291.01 |
7.4 |
-9.82 |
-1.53 |
0 |
|
|
44788 |
10505956 |
1 |
N3O6C28H39 |
A3B6C28D39 |
-256.45 |
1.91 |
-7.93 |
-0.02 |
0 |
|
|
44789 |
10505957 |
1 |
N3O4C31H35 |
A3B4C31D35 |
-84.88 |
9.61 |
-9.28 |
-0.49 |
0 |
|
|
44790 |
10505964 |
1 |
NO3C34H43 |
AB3C34D43 |
-97.19 |
4.26 |
-8.48 |
0.17 |
0 |
|
|
44791 |
10505966 |
1 |
O2N3C33H43 |
A2B3C33D43 |
-32.35 |
3.01 |
-8.34 |
-0.06 |
0 |
|
|
44792 |
10505970 |
1 |
N8O8C21H22 |
A8B8C21D22 |
9.06 |
6.52 |
-9.96 |
-1.73 |
0 |
|
|
44793 |
10505972 |
1 |
SO9C26H26 |
AB9C26D26 |
-291.85 |
5.48 |
-9.06 |
-1.53 |
0 |
|
|
44794 |
10505975 |
1 |
SN2O5H26C29 |
AB2C5D26E29 |
-96.37 |
4.77 |
-9.32 |
-0.6 |
0 |
|
|
44795 |
10505977 |
2 |
N2O2C15H17 |
A2B2C15D17 |
-121.15 |
2.75 |
-8.66 |
-0.23 |
0 |
|
|
44796 |
10505980 |
1 |
SN2O4C30H30 |
AB2C4D30E30 |
-87.08 |
7.17 |
-8.9 |
-1.03 |
0 |
|
|
44797 |
10505983 |
1 |
SO2N4C30H34 |
AB2C4D30E34 |
-15.41 |
9.37 |
-8.68 |
-0.57 |
0 |
|
|
44798 |
10505985 |
2 |
NOC17H23 |
ABC17D23 |
-55.41 |
1.05 |
-8.05 |
0.18 |
1 |
|
|
44799 |
10505992 |
1 |
SN2O2H23C25 |
AB2C2D23E25 |
19.86 |
3.61 |
0.0 |
0.0 |
0 |
|
|
44800 |
10505993 |
1 |
HSCl2O5C7F13 |
ABC2D5E7F13 |
-874.45 |
1.76 |
-12.05 |
-1.88 |
0 |
|
|
44801 |
10505997 |
1 |
ClSSiN2O4C25H27 |
ABCD2E4F25G27 |
-110.7 |
2.2 |
-9.32 |
-0.78 |
1 |
|
|
44802 |
10506000 |
1 |
NO2C25H42 |
AB2C25D42 |
-106.57 |
4.04 |
0.0 |
0.0 |
0 |
|
|
44803 |
10506004 |
1 |
NO6C31H33 |
AB6C31D33 |
-221.96 |
3.21 |
-8.83 |
-0.38 |
0 |
|
|
44804 |
10506006 |
1 |
NO5C32H37 |
AB5C32D37 |
-194.77 |
3.74 |
-8.84 |
-0.53 |
0 |
|
|
44805 |
10506007 |
1 |
FNSiO5C28H38 |
ABCD5E28F38 |
-304.26 |
1.69 |
-9.01 |
-0.36 |
0 |
|
|
44806 |
10506009 |
1 |
NSi2O3C29H47 |
AB2C3D29E47 |
-215.92 |
3.21 |
-8.4 |
0.14 |
0 |
|
|
44807 |
10506011 |
1 |
ClO4N5H22C27 |
AB4C5D22E27 |
52.52 |
5.24 |
-8.95 |
-1.34 |
0 |
|
|
44808 |
10506016 |
1 |
O12H24C25 |
A12B24C25 |
-396.73 |
6.03 |
-8.82 |
-0.66 |
0 |
|
|
44809 |
10506020 |
1 |
N4O11C21H32 |
A4B11C21D32 |
-500.21 |
5.56 |
-10.26 |
-0.86 |
0 |
|
|
44810 |
10506022 |
1 |
SN4O8C23H24 |
AB4C8D23E24 |
-141.74 |
6.09 |
-9.13 |
-2.01 |
0 |
|
|
44811 |
10506023 |
12 |
OC2H3 |
AB2C3 |
-555.39 |
3.7 |
-10.19 |
-0.44 |
0 |
|
|
44812 |
10506024 |
1 |
SN2F3O4H23C26 |
AB2C3D4E23F26 |
-192.19 |
4.75 |
-8.83 |
-1.55 |
0 |
|
|
44813 |
10506032 |
1 |
O8C29H40 |
A8B29C40 |
-283.4 |
5.23 |
-8.34 |
-0.47 |
0 |
|
|
44814 |
10506033 |
2 |
N2O2C15H18 |
A2B2C15D18 |
-122.66 |
6.6 |
-9.27 |
-0.49 |
0 |
|
|
44815 |
10506034 |
2 |
N2O2C15H18 |
A2B2C15D18 |
-35.0 |
6.68 |
-8.81 |
-1.59 |
0 |
|
|
44816 |
10506035 |
2 |
OSN3H12C13 |
ABC3D12E13 |
52.21 |
3.0 |
-9.14 |
-1.1 |
0 |
|
|
44817 |
10506039 |
1 |
SiN2O6C27H40 |
AB2C6D27E40 |
-238.26 |
7.11 |
-8.93 |
-0.52 |
0 |
|
|
44818 |
10506040 |
2 |
O2C17H22 |
A2B17C22 |
-182.74 |
2.55 |
-9.35 |
0.64 |
0 |
|
|
44819 |
10506042 |
1 |
O5C32H52 |
A5B32C52 |
-279.77 |
1.65 |
-9.67 |
0.54 |
0 |
|
|
44820 |
10506043 |
1 |
SiO5C30H48 |
AB5C30D48 |
-266.04 |
3.71 |
-8.88 |
0.13 |
0 |
|
|
44821 |
10506046 |
1 |
BrClSO2N3H19C23 |
ABCD2E3F19G23 |
32.61 |
4.39 |
-8.28 |
-1.82 |
1 |
|
|
44823 |
10506056 |
1 |
F6N7O7C14H25 |
A6B7C7D14E25 |
-404.91 |
79.81 |
-7.48 |
-4.01 |
0 |
|
|
44824 |
10506061 |
1 |
OSiSnC25H54 |
ABCD25E54 |
-140.52 |
1.62 |
-8.68 |
0.92 |
0 |
|
|
44825 |
10506066 |
1 |
SN3O6H23C27 |
AB3C6D23E27 |
-107.5 |
4.57 |
-9.25 |
-1.21 |
0 |
|
|
44826 |
10506068 |
1 |
NO7C30H31 |
AB7C30D31 |
-188.99 |
5.64 |
-8.76 |
-0.76 |
0 |
|
|
44827 |
10506074 |
1 |
NO4H31C34 |
AB4C31D34 |
-61.9 |
3.39 |
-8.76 |
-0.4 |
0 |
|
|
44828 |
10506075 |
1 |
N3O5C30H35 |
A3B5C30D35 |
-123.29 |
5.15 |
-8.3 |
-0.54 |
0 |
|
|
44829 |
10506076 |
1 |
O4N5C29H35 |
A4B5C29D35 |
-85.49 |
6.3 |
-8.97 |
-0.15 |
0 |
|
|
44830 |
10506077 |
1 |
SN3O6C26H35 |
AB3C6D26E35 |
-211.31 |
4.98 |
-9.24 |
-0.21 |
0 |
|
|
44831 |
10506088 |
1 |
ClO2N3C31H36 |
AB2C3D31E36 |
-38.28 |
6.13 |
-9.09 |
-1.53 |
0 |
|
|
44832 |
10506089 |
1 |
ClNO4C30H44 |
ABC4D30E44 |
-182.11 |
13.75 |
-8.28 |
-0.24 |
0 |
|
|
44833 |
10506092 |
1 |
IO5C23H35 |
AB5C23D35 |
-218.39 |
3.78 |
-9.62 |
-0.77 |
0 |
|
|
44834 |
10506099 |
1 |
O5N6C27H30 |
A5B6C27D30 |
-149.7 |
8.73 |
-8.66 |
-0.92 |
0 |
|
|
44835 |
10506102 |
2 |
OSN4H11C12 |
ABC4D11E12 |
154.08 |
11.33 |
-9.15 |
-1.16 |
0 |
|
|
44836 |
10506103 |
1 |
SN2O5C29H30 |
AB2C5D29E30 |
-91.64 |
4.42 |
-8.85 |
-0.69 |
0 |
|
|
44837 |
10506108 |
2 |
OH15C19 |
AB15C19 |
83.82 |
1.75 |
-8.44 |
-0.52 |
0 |
|
|
44838 |
10506109 |
2 |
N2H15C18 |
A2B15C18 |
124.23 |
0.16 |
-8.74 |
-1.42 |
0 |
|
|
44839 |
10506118 |
1 |
ClOSiN4C29H35 |
ABCD4E29F35 |
-7.67 |
5.07 |
-9.09 |
-1.15 |
0 |
|
|
44840 |
10506123 |
1 |
NO11C25H29 |
AB11C25D29 |
-445.26 |
6.51 |
-9.42 |
-1.02 |
0 |
|
|
44841 |
10506124 |
1 |
NOF6H27C29 |
ABC6D27E29 |
-297.2 |
5.02 |
-9.08 |
-1.18 |
0 |
|
|
44842 |
10506135 |
1 |
N7C32H37 |
A7B32C37 |
142.62 |
3.0 |
-8.4 |
-0.07 |
0 |
|
|
44843 |
10506138 |
1 |
NO4C33H45 |
AB4C33D45 |
-167.91 |
3.96 |
-9.21 |
-0.02 |
0 |
|
|
44845 |
10506147 |
1 |
BrNS2O4H22C23 |
ABC2D4E22F23 |
-97.81 |
4.17 |
-8.81 |
-1.09 |
2 |
|
|
44846 |
10506149 |
2 |
SC6H7 |
AB6C7 |
78.11 |
6.44 |
-6.38 |
0.66 |
0 |
|
|
44847 |
10506157 |
2 |
FN5C13H15 |
AB5C13D15 |
26.46 |
5.84 |
-8.55 |
-0.27 |
0 |
|
|
44848 |
10506162 |
1 |
O7C31H36 |
A7B31C36 |
-227.73 |
5.24 |
-8.6 |
-0.21 |
0 |
|
|
44849 |
10506168 |
1 |
N2O3C34H36 |
A2B3C34D36 |
-13.71 |
1.48 |
-8.78 |
0.14 |
0 |
|
|
44850 |
10506177 |
1 |
N2O7C29H32 |
A2B7C29D32 |
-164.46 |
5.27 |
-8.76 |
-1.26 |
0 |
|
|
44851 |
10506178 |
1 |
NO5H31C33 |
AB5C31D33 |
-71.7 |
7.72 |
-8.94 |
-0.6 |
0 |
|
|
44852 |
10506182 |
1 |
ClSO3N5H24C26 |
ABC3D5E24F26 |
24.85 |
3.77 |
-8.54 |
-0.89 |
0 |
|
|
44853 |
10506183 |
1 |
BrOCl2N4C23H23 |
ABC2D4E23F23 |
44.47 |
3.58 |
-8.8 |
-1.21 |
0 |
|
|
44854 |
10506184 |
1 |
IN4O4C21H23 |
AB4C4D21E23 |
-85.05 |
4.25 |
-8.19 |
-1.14 |
0 |
|
|
44856 |
10506197 |
1 |
IOSi2C24H35 |
ABC2D24E35 |
1.61 |
3.07 |
-8.65 |
-0.95 |
0 |
|
|
44857 |
10506200 |
1 |
SF3O3C29H37 |
AB3C3D29E37 |
-305.25 |
3.0 |
-8.93 |
-0.6 |
0 |
|
|
44858 |
10506205 |
2 |
ON2C16H25 |
AB2C16D25 |
-138.32 |
2.95 |
-8.8 |
-0.3 |
0 |
|
|
44859 |
10506206 |
1 |
N2C37H50 |
A2B37C50 |
-10.71 |
2.98 |
-8.93 |
-0.72 |
0 |
|
|
44860 |
10506215 |
1 |
NS4F6O7H11C12 |
AB4C6D7E11F12 |
-521.49 |
6.82 |
-8.34 |
-1.34 |
0 |
|
|
44861 |
10506218 |
1 |
N3O8C27H29 |
A3B8C27D29 |
-183.21 |
8.48 |
-8.67 |
-1.54 |
0 |
|
|
44862 |
10506220 |
1 |
SN3O7H25C26 |
AB3C7D25E26 |
-179.61 |
7.3 |
-9.01 |
-0.75 |
0 |
|
|
44863 |
10506221 |
1 |
SN5O6C25H25 |
AB5C6D25E25 |
-128.57 |
3.03 |
-9.26 |
-1.0 |
0 |
|
|
44864 |
10506222 |
1 |
F2O3N5C28H31 |
A2B3C5D28E31 |
-144.52 |
2.69 |
-8.9 |
-0.9 |
0 |
|
|
44865 |
10506232 |
1 |
SeSiO2C28H48 |
ABC2D28E48 |
-161.86 |
1.99 |
-8.48 |
-0.29 |
0 |
|
|
44866 |
10506243 |
1 |
BrCl2N2O7H17C18 |
AB2C2D7E17F18 |
-281.24 |
4.7 |
-9.15 |
-0.94 |
0 |
|
|
44867 |
10506244 |
1 |
O15C21H32 |
A15B21C32 |
-674.0 |
6.38 |
-9.87 |
0.12 |
0 |
|
|
44868 |
10506257 |
1 |
SN2O4H28C31 |
AB2C4D28E31 |
-46.1 |
2.29 |
-9.1 |
-1.21 |
0 |
|
|
44869 |
10506263 |
1 |
SiO5C30H56 |
AB5C30D56 |
-333.6 |
4.72 |
-8.75 |
0.56 |
0 |
|
|
44871 |
10506267 |
2 |
ClSO4C10H11 |
ABC4D10E11 |
52.89 |
19.32 |
-9.62 |
-3.66 |
0 |
|
|
44872 |
10506273 |
1 |
NPO4C32H32 |
ABC4D32E32 |
-105.16 |
2.89 |
-8.59 |
-0.24 |
0 |
|
|
44873 |
10506285 |
1 |
NO5C31H59 |
AB5C31D59 |
-344.99 |
5.46 |
-10.12 |
0.69 |
0 |
|
|
44874 |
10506287 |
1 |
O2S3N6H16C17 |
A2B3C6D16E17 |
94.63 |
5.89 |
-8.96 |
-1.6 |
0 |
|
|
44875 |
10506289 |
1 |
NO2Si2C30H63 |
AB2C2D30E63 |
-277.26 |
3.73 |
-8.56 |
1.09 |
0 |
|
|
44876 |
10506296 |
1 |
SO12C22H38 |
AB12C22D38 |
-534.44 |
3.13 |
-8.84 |
0.41 |
0 |
|
|
44877 |
10506297 |
1 |
SN2O5H26C30 |
AB2C5D26E30 |
-71.44 |
5.66 |
-9.0 |
-0.57 |
0 |
|
|
44878 |
10506299 |
1 |
N2O9C26H42 |
A2B9C26D42 |
-425.94 |
0.88 |
-9.86 |
-0.82 |
0 |