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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
427966 |
135165607 |
1 |
ClFO2N3H15C18 |
ABC2D3E15F18 |
-76.83 |
4.95 |
-9.5 |
-1.44 |
0 |
|
|
427967 |
135165608 |
1 |
ClFO3N5C24H25 |
ABC3D5E24F25 |
-91.48 |
1.98 |
-9.08 |
-1.21 |
0 |
|
|
427968 |
135165609 |
1 |
ClFO2N5C25H27 |
ABC2D5E25F27 |
-53.7 |
3.76 |
-9.04 |
-0.95 |
0 |
|
|
427969 |
135165610 |
1 |
OC14H22 |
AB14C22 |
-65.71 |
2.35 |
-9.23 |
0.36 |
0 |
|
|
427970 |
135165611 |
1 |
OCl2C9H10 |
AB2C9D10 |
-56.53 |
1.84 |
-9.14 |
-0.4 |
0 |
|
|
427971 |
135165612 |
1 |
NOC10H17 |
ABC10D17 |
-27.79 |
2.95 |
-8.57 |
-0.05 |
0 |
|
|
427972 |
135165613 |
2 |
OC4H7 |
AB4C7 |
-89.69 |
2.35 |
-10.04 |
-0.12 |
0 |
|
|
427973 |
135165614 |
1 |
NF3C9H16 |
AB3C9D16 |
-180.71 |
2.97 |
-9.3 |
1.83 |
0 |
|
|
427974 |
135165615 |
1 |
N2O5C28H40 |
A2B5C28D40 |
-122.96 |
5.09 |
-8.31 |
0.03 |
0 |
|
|
427975 |
135165616 |
1 |
O5N9C18H29 |
A5B9C18D29 |
-40.96 |
6.69 |
-9.85 |
-0.3 |
0 |
|
|
427976 |
135165617 |
1 |
N7O7C13H23 |
A7B7C13D23 |
-176.98 |
2.78 |
-9.98 |
-0.71 |
0 |
|
|
427977 |
135165618 |
1 |
ClN4C23H27 |
AB4C23D27 |
53.42 |
5.02 |
-8.26 |
-0.3 |
0 |
|
|
427978 |
135165619 |
1 |
NSO3C24H29 |
ABC3D24E29 |
-94.06 |
4.48 |
-8.16 |
-0.77 |
0 |
|
|
427979 |
135165620 |
1 |
SN3O3C21H23 |
AB3C3D21E23 |
-27.64 |
4.54 |
-8.99 |
-0.82 |
0 |
|
|
427980 |
135165621 |
1 |
N2Cl3O4C19H23 |
A2B3C4D19E23 |
-151.25 |
6.69 |
-8.61 |
-0.92 |
0 |
|
|
427981 |
135165622 |
1 |
NO4C17H23 |
AB4C17D23 |
-159.8 |
2.95 |
-8.6 |
-0.73 |
0 |
|
|
427982 |
135165623 |
1 |
ClO4N7C42H52 |
AB4C7D42E52 |
-132.34 |
8.88 |
-8.88 |
-0.62 |
0 |
|
|
427983 |
135165648 |
1 |
NSO2C12H17 |
ABC2D12E17 |
-79.86 |
3.63 |
-9.16 |
-0.08 |
0 |
|
|
427984 |
135165649 |
1 |
IS2N6O9C39H45 |
AB2C6D9E39F45 |
-194.11 |
8.44 |
-8.54 |
-1.47 |
0 |
|
|
427985 |
135165650 |
1 |
IS2N5O9C38H40 |
AB2C5D9E38F40 |
-165.55 |
4.29 |
-8.64 |
-1.54 |
0 |
|
|
427986 |
135165651 |
1 |
IS2N5O8C37H40 |
AB2C5D8E37F40 |
-125.49 |
7.2 |
-8.5 |
-1.44 |
0 |
|
|
427987 |
135165652 |
1 |
IS2N6O9C40H47 |
AB2C6D9E40F47 |
-204.53 |
6.96 |
-8.28 |
-1.2 |
0 |
|
|
427988 |
135165653 |
1 |
IS2N7O11C44H54 |
AB2C7D11E44F54 |
-310.22 |
9.4 |
-8.67 |
-1.61 |
0 |
|
|
427989 |
135165654 |
1 |
IS2N7O11C47H52 |
AB2C7D11E47F52 |
-256.01 |
5.29 |
-8.55 |
-1.52 |
0 |
|
|
427990 |
135165655 |
1 |
IS2N6O9C31H37 |
AB2C6D9E31F37 |
-209.31 |
4.1 |
-8.55 |
-1.5 |
0 |
|
|
427991 |
135165656 |
1 |
IS2N6O9C31H37 |
AB2C6D9E31F37 |
-212.92 |
5.83 |
-8.58 |
-1.46 |
0 |
|
|
427992 |
135165657 |
1 |
IS2N6O9C31H37 |
AB2C6D9E31F37 |
-215.15 |
2.93 |
-8.41 |
-1.47 |
0 |
|
|
427993 |
135165658 |
1 |
IS2N6O9C31H37 |
AB2C6D9E31F37 |
-212.9 |
5.82 |
-8.44 |
-1.44 |
0 |
|
|
427994 |
135165659 |
1 |
S3O4N7C17H17 |
A3B4C7D17E17 |
-4.56 |
3.71 |
-9.28 |
-1.07 |
0 |
|
|
427995 |
135165660 |
1 |
ClO2N9C30H30 |
AB2C9D30E30 |
47.9 |
5.54 |
-9.01 |
-0.74 |
0 |
|
|
427996 |
135165661 |
1 |
ClO2N9C32H34 |
AB2C9D32E34 |
42.47 |
3.26 |
-8.85 |
-0.63 |
0 |
|
|
427997 |
135165662 |
1 |
O2N6C23H24 |
A2B6C23D24 |
24.89 |
2.55 |
-8.14 |
-0.83 |
0 |
|
|
427998 |
135165663 |
1 |
BrSN2O2C11H17 |
ABC2D2E11F17 |
-94.18 |
2.03 |
-9.54 |
-0.78 |
0 |
|
|
427999 |
135165664 |
1 |
S2O5N8C18H20 |
A2B5C8D18E20 |
-43.92 |
7.36 |
-8.77 |
-0.84 |
0 |
|
|
428000 |
135165665 |
1 |
S2O4N7H17C18 |
A2B4C7D17E18 |
7.45 |
2.97 |
-9.4 |
-1.24 |
0 |
|
|
428001 |
135165666 |
1 |
S2O5N7C19H19 |
A2B5C7D19E19 |
-27.54 |
7.71 |
-8.68 |
-1.22 |
0 |
|
|
428002 |
135165667 |
1 |
IS2O4N6C9H11 |
AB2C4D6E9F11 |
-23.11 |
2.14 |
-9.76 |
-1.59 |
0 |
|
|
428003 |
135165668 |
1 |
ClSO2N6H25C27 |
ABC2D6E25F27 |
31.83 |
2.12 |
-9.14 |
-0.82 |
0 |
|
|
428004 |
135165705 |
3 |
O2N3C15H19 |
A2B3C15D19 |
-194.53 |
3.52 |
-8.25 |
-0.21 |
0 |
|
|
428005 |
135165706 |
1 |
BrClFOSN2H15C21 |
ABCDEF2G15H21 |
15.56 |
2.16 |
-8.97 |
-1.01 |
0 |
|
|
428006 |
135165707 |
1 |
FOSN8H33C35 |
ABCD8E33F35 |
84.46 |
5.87 |
-8.56 |
-1.21 |
0 |
|
|
428007 |
135165735 |
1 |
ON2C19H28 |
AB2C19D28 |
-40.95 |
3.65 |
-8.57 |
0.24 |
0 |
|
|
428008 |
135165736 |
1 |
ON4C15H22 |
AB4C15D22 |
8.3 |
4.21 |
-8.64 |
-0.8 |
0 |
|
|
428009 |
135165737 |
1 |
N2O2C11H20 |
A2B2C11D20 |
-77.32 |
2.76 |
-8.65 |
0.59 |
0 |
|
|
428010 |
135165738 |
1 |
ON2C20H30 |
AB2C20D30 |
-48.59 |
3.48 |
-8.51 |
0.18 |
0 |
|
|
428011 |
135165740 |
1 |
ClON2C17H23 |
ABC2D17E23 |
-22.33 |
4.63 |
-8.74 |
-0.28 |
0 |
|
|
428012 |
135165741 |
2 |
NOC9H13 |
ABC9D13 |
-53.86 |
5.29 |
-8.52 |
0.11 |
0 |
|
|
428013 |
135165742 |
1 |
N2O2C13H24 |
A2B2C13D24 |
-115.97 |
4.79 |
-8.7 |
0.84 |
0 |
|
|
428014 |
135165743 |
1 |
N2O2C13H26 |
A2B2C13D26 |
-128.15 |
2.68 |
-8.64 |
0.91 |
0 |
|
|
428015 |
135165744 |
1 |
ClON2C17H23 |
ABC2D17E23 |
-24.73 |
3.48 |
-8.69 |
-0.26 |
0 |
|
|
428016 |
135165745 |
1 |
ON2C18H26 |
AB2C18D26 |
-27.09 |
3.75 |
-8.52 |
0.13 |
0 |
|
|
428017 |
135165746 |
1 |
FON2C17H23 |
ABC2D17E23 |
-63.0 |
4.0 |
-8.62 |
-0.21 |
0 |
|
|
428018 |
135165747 |
2 |
NOC7H13 |
ABC7D13 |
-95.53 |
4.12 |
-8.67 |
0.87 |
0 |
|
|
428019 |
135165748 |
2 |
NOC7H13 |
ABC7D13 |
-123.64 |
2.36 |
-8.6 |
1.19 |
0 |
|
|
428020 |
135165749 |
1 |
OF2N3C15H27 |
AB2C3D15E27 |
-194.03 |
3.49 |
-8.72 |
0.93 |
0 |
|
|
428021 |
135165772 |
1 |
ClON8H27C30 |
ABC8D27E30 |
178.06 |
6.0 |
-8.43 |
-0.93 |
0 |
|
|
428022 |
135165778 |
1 |
NSH19C28 |
ABC19D28 |
111.83 |
2.52 |
-8.01 |
-1.03 |
0 |
|
|
428023 |
135165780 |
1 |
N5H27C43 |
A5B27C43 |
248.72 |
1.54 |
-8.01 |
-1.22 |
0 |
|
|
428024 |
135165781 |
1 |
NSH19C28 |
ABC19D28 |
111.78 |
3.43 |
-8.0 |
-0.92 |
0 |
|
|
428025 |
135165782 |
1 |
NOH19C28 |
ABC19D28 |
81.45 |
3.42 |
-8.01 |
-0.92 |
0 |
|
|
428026 |
135165783 |
2 |
NH12C15 |
AB12C15 |
105.7 |
3.56 |
-7.69 |
-0.67 |
0 |
|
|
428027 |
135165784 |
2 |
N2H13C21 |
A2B13C21 |
229.73 |
4.24 |
-7.85 |
-1.19 |
0 |
|
|
428028 |
135165785 |
1 |
N5H31C49 |
A5B31C49 |
270.94 |
2.84 |
-7.78 |
-1.29 |
0 |
|
|
428029 |
135165786 |
1 |
N5H31C49 |
A5B31C49 |
272.17 |
1.55 |
-8.0 |
-1.21 |
0 |
|
|
428030 |
135165787 |
1 |
ON5H29C49 |
AB5C29D49 |
247.81 |
1.13 |
-8.04 |
-1.34 |
0 |
|
|
428031 |
135165788 |
1 |
ON4H28C48 |
AB4C28D48 |
228.71 |
4.5 |
-7.86 |
-1.32 |
0 |
|
|
428032 |
135165789 |
1 |
N5H31C49 |
A5B31C49 |
271.84 |
1.61 |
-8.01 |
-1.22 |
0 |
|
|
428033 |
135165790 |
2 |
N2H15C24 |
A2B15C24 |
252.57 |
4.57 |
-7.84 |
-1.22 |
0 |
|
|
428034 |
135165791 |
5 |
NH7C11 |
AB7C11 |
294.75 |
2.82 |
-7.82 |
-1.24 |
0 |
|
|
428035 |
135165792 |
2 |
N2H17C27 |
A2B17C27 |
276.36 |
4.63 |
-7.88 |
-1.22 |
0 |
|
|
428036 |
135165793 |
2 |
N2H17C27 |
A2B17C27 |
275.72 |
4.5 |
-7.84 |
-1.22 |
0 |
|
|
428037 |
135165794 |
5 |
NH7C11 |
AB7C11 |
295.96 |
1.81 |
-8.09 |
-1.23 |
0 |
|
|
428038 |
135165798 |
2 |
N2H15C24 |
A2B15C24 |
253.5 |
4.48 |
-7.87 |
-1.2 |
0 |
|
|
428039 |
135165865 |
1 |
ON5H37C61 |
AB5C37D61 |
293.13 |
2.7 |
-8.04 |
-1.31 |
0 |
|
|
428040 |
135165866 |
2 |
N2H17C27 |
A2B17C27 |
274.96 |
2.42 |
-7.86 |
-1.1 |
0 |
|
|
428041 |
135165867 |
2 |
N2H17C27 |
A2B17C27 |
282.27 |
4.99 |
-7.79 |
-1.27 |
0 |
|
|
428042 |
135165868 |
2 |
N2H19C30 |
A2B19C30 |
298.21 |
2.76 |
-7.85 |
-1.04 |
0 |
|
|
428043 |
135165869 |
1 |
N5H31C49 |
A5B31C49 |
278.21 |
3.39 |
-7.88 |
-1.35 |
0 |
|
|
428044 |
135165870 |
1 |
N5H27C43 |
A5B27C43 |
249.45 |
1.65 |
-8.11 |
-1.12 |
0 |
|
|
428045 |
135165871 |
1 |
N5H31C49 |
A5B31C49 |
267.4 |
3.14 |
-7.85 |
-1.28 |
0 |
|
|
428046 |
135165872 |
2 |
N2H15C24 |
A2B15C24 |
255.15 |
5.51 |
-7.85 |
-1.3 |
0 |
|
|
428047 |
135165873 |
2 |
N2H15C24 |
A2B15C24 |
247.58 |
5.02 |
-7.77 |
-1.23 |
0 |
|
|
428048 |
135165874 |
1 |
ON4H28C48 |
AB4C28D48 |
228.76 |
3.34 |
-7.93 |
-1.29 |
0 |
|
|
428049 |
135165875 |
1 |
ON5H29C49 |
AB5C29D49 |
249.43 |
2.35 |
-8.15 |
-1.34 |
0 |
|
|
428050 |
135165876 |
1 |
N5H31C49 |
A5B31C49 |
272.92 |
1.45 |
-8.08 |
-1.11 |
0 |
|
|
428051 |
135165877 |
1 |
N5H31C49 |
A5B31C49 |
271.78 |
1.92 |
-8.06 |
-1.18 |
0 |
|
|
428052 |
135165878 |
5 |
NH7C11 |
AB7C11 |
290.44 |
2.94 |
-7.88 |
-1.27 |
0 |
|
|
428053 |
135165879 |
2 |
N2H15C24 |
A2B15C24 |
256.16 |
5.14 |
-7.86 |
-1.29 |
0 |
|
|
428054 |
135165880 |
2 |
N2H17C27 |
A2B17C27 |
276.55 |
5.3 |
-7.88 |
-1.28 |
0 |
|
|
428055 |
135165907 |
1 |
ON5H33C55 |
AB5C33D55 |
271.54 |
2.05 |
-8.13 |
-1.34 |
0 |
|
|
428056 |
135165908 |
1 |
N5H39C61 |
A5B39C61 |
313.12 |
3.03 |
-7.84 |
-1.24 |
0 |
|
|
428057 |
135165915 |
2 |
N2H17C27 |
A2B17C27 |
270.15 |
5.31 |
-7.75 |
-1.25 |
0 |
|
|
428058 |
135165916 |
2 |
N2H17C27 |
A2B17C27 |
271.58 |
4.33 |
-7.88 |
-1.1 |
0 |
|
|
428059 |
135165917 |
5 |
NH7C11 |
AB7C11 |
291.16 |
2.84 |
-7.86 |
-1.2 |
0 |
|
|
428060 |
135165918 |
1 |
N5H31C49 |
A5B31C49 |
267.01 |
2.55 |
-8.02 |
-1.08 |
0 |
|
|
428061 |
135165919 |
2 |
N2H17C27 |
A2B17C27 |
270.33 |
5.46 |
-7.71 |
-1.2 |
0 |
|
|
428062 |
135165920 |
5 |
NH7C11 |
AB7C11 |
290.33 |
2.7 |
-8.03 |
-1.1 |
0 |
|
|
428063 |
135165921 |
1 |
N5H31C49 |
A5B31C49 |
266.61 |
3.21 |
-7.82 |
-1.26 |
0 |
|
|
428064 |
135165922 |
2 |
N2H19C30 |
A2B19C30 |
294.1 |
4.39 |
-7.79 |
-1.2 |
0 |
|
|
428065 |
135165923 |
1 |
N5H39C61 |
A5B39C61 |
313.38 |
2.79 |
-7.86 |
-1.24 |
0 |