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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
427766 |
135162334 |
1 |
OF2N7C35H45 |
AB2C7D35E45 |
-45.42 |
4.76 |
-8.67 |
-0.4 |
0 |
|
|
427767 |
135162353 |
1 |
FPN8C31H40 |
ABC8D31E40 |
36.88 |
7.24 |
-8.54 |
-0.66 |
0 |
|
|
427768 |
135162360 |
1 |
FN7C26H32 |
AB7C26D32 |
66.31 |
3.49 |
-8.31 |
-0.64 |
0 |
|
|
427769 |
135162381 |
1 |
BrN2C13H21 |
AB2C13D21 |
-3.38 |
3.62 |
-8.59 |
-0.14 |
0 |
|
|
427770 |
135162386 |
1 |
IN2C6H11 |
AB2C6D11 |
27.9 |
1.13 |
-8.8 |
-1.54 |
0 |
|
|
427771 |
135162398 |
1 |
NC11H23 |
AB11C23 |
-43.86 |
1.84 |
-8.77 |
3.22 |
0 |
|
|
427772 |
135162435 |
1 |
O5N6C24H28 |
A5B6C24D28 |
-98.25 |
7.98 |
-9.1 |
-1.62 |
0 |
|
|
427773 |
135162441 |
1 |
SF3N6O6C28H31 |
AB3C6D6E28F31 |
-302.82 |
11.13 |
-9.22 |
-1.76 |
0 |
|
|
427774 |
135162460 |
1 |
FO3N6C24H29 |
AB3C6D24E29 |
-116.46 |
8.84 |
-9.14 |
-0.96 |
0 |
|
|
427775 |
135162463 |
1 |
SN6O6C26H32 |
AB6C6D26E32 |
-175.98 |
7.7 |
-8.97 |
-1.51 |
0 |
|
|
427776 |
135162482 |
1 |
O2F3N4C21H23 |
A2B3C4D21E23 |
-175.36 |
8.11 |
-8.51 |
-0.83 |
0 |
|
|
427777 |
135162496 |
1 |
SF3O3N7C29H32 |
AB3C3D7E29F32 |
-169.4 |
6.79 |
-9.3 |
-1.42 |
0 |
|
|
427778 |
135162522 |
1 |
ClOSN3C14H16 |
ABCD3E14F16 |
-1.06 |
5.03 |
-9.28 |
-1.16 |
0 |
|
|
427779 |
135162549 |
1 |
PN8C31H45 |
AB8C31D45 |
101.35 |
6.91 |
-8.3 |
-0.62 |
0 |
|
|
427780 |
135162583 |
1 |
N5C6H11 |
A5B6C11 |
57.27 |
2.25 |
-8.44 |
0.2 |
0 |
|
|
427781 |
135162734 |
1 |
N3H39C55 |
A3B39C55 |
235.04 |
4.85 |
-8.1 |
-0.71 |
0 |
|
|
427782 |
135162768 |
1 |
N5H41C62 |
A5B41C62 |
310.1 |
4.13 |
-7.99 |
-0.96 |
0 |
|
|
427783 |
135162824 |
4 |
NH15C16 |
AB15C16 |
223.13 |
6.41 |
-7.4 |
-0.12 |
0 |
|
|
427784 |
135162825 |
2 |
NH17C28 |
AB17C28 |
356.05 |
3.59 |
-8.22 |
-1.66 |
0 |
|
|
427785 |
135162846 |
2 |
NH20C30 |
AB20C30 |
264.97 |
2.77 |
-7.93 |
-0.79 |
0 |
|
|
427786 |
135162851 |
1 |
N2H46C69 |
A2B46C69 |
279.63 |
3.8 |
-7.98 |
-0.9 |
0 |
|
|
427787 |
135162881 |
1 |
N7H35C54 |
A7B35C54 |
328.86 |
3.07 |
-8.24 |
-1.29 |
0 |
|
|
427788 |
135162953 |
1 |
NSH31C46 |
ABC31D46 |
194.24 |
2.56 |
-7.99 |
-0.88 |
0 |
|
|
427789 |
135162966 |
2 |
N2H19C28 |
A2B19C28 |
285.68 |
2.48 |
-7.95 |
-0.79 |
0 |
|
|
427790 |
135162985 |
1 |
FO4H23C26 |
AB4C23D26 |
-141.4 |
2.22 |
-8.91 |
-0.54 |
0 |
|
|
427791 |
135163021 |
1 |
N3H37C50 |
A3B37C50 |
227.46 |
3.08 |
-8.06 |
-0.89 |
0 |
|
|
427792 |
135163034 |
1 |
ON2H42C54 |
AB2C42D54 |
173.11 |
4.61 |
-7.69 |
-0.42 |
0 |
|
|
427793 |
135163060 |
2 |
NH13C21 |
AB13C21 |
199.69 |
4.01 |
-7.8 |
-0.88 |
0 |
|
|
427794 |
135163080 |
1 |
N3O4C13H17 |
A3B4C13D17 |
-144.96 |
6.12 |
-9.48 |
-1.06 |
0 |
|
|
427795 |
135163081 |
1 |
ON2C8H8 |
AB2C8D8 |
8.66 |
5.61 |
-8.87 |
-0.77 |
0 |
|
|
427796 |
135163082 |
1 |
O3F6H16C20 |
A3B6C16D20 |
-377.62 |
3.28 |
-9.25 |
-0.61 |
0 |
|
|
427797 |
135163083 |
2 |
O2H12C13 |
A2B12C13 |
-100.6 |
3.26 |
-8.91 |
-0.44 |
0 |
|
|
427798 |
135163088 |
1 |
OSC10H18 |
ABC10D18 |
-73.68 |
2.45 |
-8.57 |
0.8 |
0 |
|
|
427799 |
135163089 |
2 |
O4H14C17 |
A4B14C17 |
-204.91 |
4.94 |
-8.81 |
-0.98 |
0 |
|
|
427800 |
135163100 |
1 |
O5H24C30 |
A5B24C30 |
-91.43 |
4.65 |
-8.58 |
-0.94 |
0 |
|
|
427801 |
135163126 |
1 |
N2O5C13H16 |
A2B5C13D16 |
-204.49 |
6.81 |
-9.72 |
-0.37 |
0 |
|
|
427802 |
135163142 |
1 |
NH25C40 |
AB25C40 |
175.95 |
2.34 |
-7.96 |
-0.88 |
0 |
|
|
427803 |
135163144 |
1 |
FNH22C36 |
ABC22D36 |
112.51 |
0.45 |
-8.04 |
-0.84 |
0 |
|
|
427804 |
135163152 |
2 |
NH20C30 |
AB20C30 |
260.76 |
1.61 |
-8.15 |
-1.04 |
0 |
|
|
427805 |
135163173 |
1 |
NSH25C42 |
ABC25D42 |
186.87 |
3.16 |
-7.98 |
-0.81 |
0 |
|
|
427806 |
135163207 |
1 |
SN3H31C54 |
AB3C31D54 |
273.51 |
5.7 |
-8.02 |
-1.37 |
0 |
|
|
427807 |
135163213 |
2 |
N3O4C16H23 |
A3B4C16D23 |
-327.37 |
1.75 |
-8.68 |
-0.25 |
0 |
|
|
427808 |
135163220 |
1 |
NH27C42 |
AB27C42 |
184.18 |
2.35 |
-7.9 |
-0.69 |
0 |
|
|
427809 |
135163354 |
2 |
NH19C25 |
AB19C25 |
189.98 |
2.6 |
-7.93 |
-0.29 |
0 |
|
|
427810 |
135163360 |
2 |
NH27C34 |
AB27C34 |
213.49 |
3.03 |
-7.8 |
-0.63 |
0 |
|
|
427811 |
135163364 |
1 |
ON2H52C68 |
AB2C52D68 |
187.42 |
3.26 |
-7.88 |
-0.66 |
0 |
|
|
427812 |
135163369 |
1 |
SN2H52C68 |
AB2C52D68 |
217.31 |
2.88 |
-7.85 |
-0.66 |
0 |
|
|
427813 |
135163437 |
1 |
FON3C30H32 |
ABC3D30E32 |
1.58 |
1.85 |
-8.74 |
-0.14 |
0 |
|
|
427814 |
135163506 |
1 |
FO2N3C27H28 |
AB2C3D27E28 |
-40.12 |
4.3 |
-9.04 |
-0.64 |
0 |
|
|
427815 |
135163508 |
1 |
O2N3C29H33 |
A2B3C29D33 |
-9.18 |
3.71 |
-8.78 |
-0.24 |
0 |
|
|
427816 |
135163509 |
1 |
O3N5C38H43 |
A3B5C38D43 |
-9.0 |
5.1 |
-8.94 |
-0.38 |
0 |
|
|
427817 |
135163614 |
1 |
ClOSN2C14H17 |
ABCD2E14F17 |
-1.27 |
4.9 |
-8.14 |
-0.78 |
0 |
|
|
427818 |
135163622 |
1 |
NC19H19 |
AB19C19 |
51.66 |
2.96 |
-7.87 |
-0.16 |
0 |
|
|
427819 |
135163632 |
1 |
NO3C29H33 |
AB3C29D33 |
-86.62 |
2.2 |
-8.7 |
-0.69 |
0 |
|
|
427820 |
135163637 |
1 |
N2O9C26H30 |
A2B9C26D30 |
-336.9 |
4.79 |
-8.96 |
-1.06 |
0 |
|
|
427821 |
135163638 |
1 |
O10C47H86 |
A10B47C86 |
-555.21 |
2.24 |
-9.55 |
0.46 |
0 |
|
|
427822 |
135163640 |
1 |
N2O5C25H34 |
A2B5C25D34 |
-201.27 |
3.67 |
-8.6 |
-0.2 |
0 |
|
|
427823 |
135163642 |
1 |
OC20H32 |
AB20C32 |
-80.35 |
1.21 |
-8.9 |
0.66 |
0 |
|
|
427824 |
135163657 |
1 |
FN3O3C21H32 |
AB3C3D21E32 |
-164.74 |
4.61 |
-8.32 |
0.32 |
0 |
|
|
427825 |
135163762 |
1 |
N2O3C15H20 |
A2B3C15D20 |
-116.13 |
3.68 |
-9.19 |
0.18 |
0 |
|
|
427826 |
135163872 |
1 |
NO3C18H31 |
AB3C18D31 |
-174.82 |
5.36 |
-9.75 |
0.42 |
0 |
|
|
427827 |
135163896 |
1 |
N4C17H18 |
A4B17C18 |
94.9 |
4.38 |
-8.53 |
-0.37 |
0 |
|
|
427828 |
135163906 |
1 |
N7C26H27 |
A7B26C27 |
174.84 |
7.37 |
-8.94 |
-1.05 |
0 |
|
|
427829 |
135163910 |
1 |
N2C17H22 |
A2B17C22 |
30.07 |
2.42 |
-8.48 |
-0.1 |
0 |
|
|
427830 |
135163917 |
1 |
NH15C16 |
AB15C16 |
53.58 |
1.27 |
-8.71 |
-0.61 |
0 |
|
|
427831 |
135164023 |
1 |
NH37C44 |
AB37C44 |
134.7 |
2.02 |
-7.95 |
-0.58 |
0 |
|
|
427832 |
135164031 |
1 |
NH27C38 |
AB27C38 |
159.52 |
0.26 |
-8.02 |
-0.49 |
0 |
|
|
427833 |
135164035 |
1 |
NH39C50 |
AB39C50 |
159.65 |
2.98 |
-8.03 |
-0.49 |
0 |
|
|
427834 |
135164057 |
1 |
O2C19H28 |
A2B19C28 |
-90.97 |
1.33 |
-8.69 |
0.35 |
0 |
|
|
427835 |
135164059 |
1 |
O2C19H30 |
A2B19C30 |
-108.84 |
1.45 |
-8.65 |
0.6 |
0 |
|
|
427836 |
135164152 |
1 |
FO8C36H41 |
AB8C36D41 |
-329.01 |
2.43 |
-9.23 |
-0.7 |
0 |
|
|
427837 |
135164153 |
1 |
FO8C36H41 |
AB8C36D41 |
-321.9 |
3.2 |
-8.9 |
-0.6 |
0 |
|
|
427838 |
135164154 |
1 |
FO8C36H41 |
AB8C36D41 |
-322.71 |
2.08 |
-9.0 |
-0.71 |
0 |
|
|
427839 |
135164155 |
1 |
N4O6C29H30 |
A4B6C29D30 |
-163.59 |
12.12 |
-9.17 |
-0.72 |
0 |
|
|
427840 |
135164157 |
1 |
FO8C34H37 |
AB8C34D37 |
-320.75 |
2.35 |
-9.04 |
-0.76 |
0 |
|
|
427841 |
135164176 |
1 |
O8C37H50 |
A8B37C50 |
-328.21 |
4.59 |
-9.21 |
-0.68 |
0 |
|
|
427842 |
135164183 |
1 |
FO8C37H39 |
AB8C37D39 |
-263.63 |
2.51 |
-9.03 |
-0.73 |
0 |
|
|
427843 |
135164233 |
1 |
N2O6C35H50 |
A2B6C35D50 |
-206.74 |
1.78 |
-8.64 |
-0.34 |
0 |
|
|
427844 |
135164278 |
1 |
O6C31H46 |
A6B31C46 |
-278.06 |
3.09 |
-8.98 |
-0.42 |
0 |
|
|
427845 |
135164289 |
1 |
O8C29H36 |
A8B29C36 |
-289.27 |
3.05 |
-8.85 |
-0.72 |
0 |
|
|
427846 |
135164291 |
2 |
FO4C16H19 |
AB4C16D19 |
-388.87 |
4.16 |
-8.75 |
-0.66 |
0 |
|
|
427847 |
135164293 |
1 |
N3O3C19H25 |
A3B3C19D25 |
-48.83 |
6.0 |
-8.78 |
-0.15 |
0 |
|
|
427848 |
135164297 |
1 |
O3C19H26 |
A3B19C26 |
-127.11 |
9.66 |
-9.62 |
-0.18 |
0 |
|
|
427849 |
135164331 |
1 |
ClO4N8C35H39 |
AB4C8D35E39 |
-1.74 |
6.76 |
-9.44 |
-1.48 |
0 |
|
|
427850 |
135164442 |
1 |
O2N7C28H29 |
A2B7C28D29 |
27.73 |
4.65 |
-8.63 |
-0.93 |
0 |
|
|
427851 |
135164444 |
1 |
ON7C25H25 |
AB7C25D25 |
88.3 |
2.77 |
-8.47 |
-0.78 |
0 |
|
|
427852 |
135164445 |
1 |
O2N5H23C25 |
A2B5C23D25 |
22.28 |
7.17 |
-9.23 |
-1.12 |
0 |
|
|
427853 |
135164447 |
1 |
O3N4C28H32 |
A3B4C28D32 |
-55.53 |
3.3 |
-8.81 |
-0.59 |
0 |
|
|
427854 |
135164459 |
1 |
NO7C19H33 |
AB7C19D33 |
-369.58 |
4.42 |
-10.02 |
0.34 |
0 |
|
|
427855 |
135164461 |
2 |
NO3C12H17 |
AB3C12D17 |
-278.83 |
2.33 |
-8.49 |
-0.04 |
0 |
|
|
427856 |
135164553 |
1 |
N2H36C49 |
A2B36C49 |
189.16 |
2.13 |
-8.01 |
-0.66 |
0 |
|
|
427857 |
135164579 |
1 |
ON2H30C46 |
AB2C30D46 |
178.39 |
1.81 |
-8.19 |
-0.93 |
0 |
|
|
427858 |
135164586 |
1 |
ON2H38C55 |
AB2C38D55 |
187.56 |
2.46 |
-7.96 |
-0.78 |
0 |
|
|
427859 |
135164598 |
1 |
SN2H36C56 |
AB2C36D56 |
243.15 |
3.62 |
-8.08 |
-0.65 |
0 |
|
|
427860 |
135164602 |
1 |
ON2H34C52 |
AB2C34D52 |
201.09 |
2.02 |
-8.15 |
-0.93 |
0 |
|
|
427861 |
135164612 |
1 |
ClOF2N7H24C29 |
ABC2D7E24F29 |
-3.53 |
3.26 |
-8.8 |
-0.76 |
0 |
|
|
427862 |
135164689 |
1 |
BrClN2O2C19H20 |
ABC2D2E19F20 |
-14.67 |
2.59 |
-9.23 |
-0.75 |
0 |
|
|
427863 |
135164690 |
1 |
BrClN2O2C20H22 |
ABC2D2E20F22 |
-34.63 |
4.04 |
-9.2 |
-0.76 |
0 |
|
|
427864 |
135164691 |
1 |
BrClON3C18H21 |
ABCD3E18F21 |
9.86 |
2.39 |
-9.27 |
-0.78 |
0 |
|
|
427865 |
135164692 |
1 |
BrClN3O3C19H21 |
ABC3D3E19F21 |
-4.09 |
2.34 |
-9.34 |
-1.28 |
0 |