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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
447002 |
135279432 |
1 |
IOSN3C13H18 |
ABCD3E13F18 |
25.76 |
3.94 |
-9.25 |
-1.21 |
0 |
|
|
447003 |
135279457 |
1 |
SO3N6C24H32 |
AB3C6D24E32 |
-16.2 |
7.14 |
-8.65 |
-0.62 |
0 |
|
|
447004 |
135279459 |
1 |
FN3O3H22C24 |
AB3C3D22E24 |
-68.08 |
6.19 |
-8.7 |
-0.65 |
0 |
|
|
447005 |
135279464 |
1 |
BrOSN2C14H21 |
ABCD2E14F21 |
22.93 |
2.85 |
-7.06 |
-0.42 |
0 |
|
|
447006 |
135279495 |
1 |
FSN3O6C27H36 |
ABC3D6E27F36 |
-220.21 |
8.98 |
-6.77 |
-0.45 |
0 |
|
|
447007 |
135279509 |
2 |
ON2C12H16 |
AB2C12D16 |
-22.41 |
3.69 |
-8.56 |
-0.12 |
0 |
|
|
447008 |
135279512 |
1 |
FSN5O7C40H52 |
ABC5D7E40F52 |
-257.14 |
5.32 |
-6.96 |
-0.47 |
0 |
|
|
447009 |
135279514 |
1 |
FSN3O7C29H38 |
ABC3D7E29F38 |
-246.85 |
5.45 |
-6.66 |
-0.82 |
0 |
|
|
447010 |
135279528 |
1 |
BrFSN5O5C38H49 |
ABCD5E5F38G49 |
-166.38 |
7.44 |
-6.93 |
-0.04 |
0 |
|
|
447011 |
135279535 |
1 |
SN5O5C32H47 |
AB5C5D32E47 |
-154.95 |
4.83 |
-7.09 |
-0.62 |
0 |
|
|
447012 |
135279537 |
1 |
FISO5N6C37H48 |
ABCD5E6F37G48 |
-144.98 |
8.28 |
-6.88 |
-0.57 |
0 |
|
|
447013 |
135279543 |
1 |
ClSN4O6C27H37 |
ABC4D6E27F37 |
-179.46 |
4.23 |
-7.17 |
-0.71 |
0 |
|
|
447014 |
135279547 |
1 |
FO2N6C23H25 |
AB2C6D23E25 |
-21.14 |
3.84 |
-8.75 |
-0.81 |
0 |
|
|
447015 |
135279561 |
1 |
BrFSN4O5C33H46 |
ABCD4E5F33G46 |
-207.11 |
5.77 |
-7.06 |
-0.46 |
0 |
|
|
447016 |
135279569 |
1 |
ON9C28H33 |
AB9C28D33 |
118.43 |
8.3 |
-8.13 |
-1.96 |
0 |
|
|
447017 |
135279570 |
1 |
ON2C14H16 |
AB2C14D16 |
5.0 |
3.44 |
-9.34 |
-0.59 |
0 |
|
|
447018 |
135279576 |
1 |
FO2N8C31H31 |
AB2C8D31E31 |
62.58 |
2.96 |
-8.65 |
-2.16 |
0 |
|
|
447020 |
135279585 |
1 |
N4O16C47H70 |
A4B16C47D70 |
-763.95 |
3.01 |
-8.61 |
-0.35 |
0 |
|
|
447021 |
135279589 |
1 |
FO2N7H26C33 |
AB2C7D26E33 |
97.56 |
9.79 |
-8.67 |
-2.19 |
0 |
|
|
447022 |
135279600 |
1 |
SO3C21H36 |
AB3C21D36 |
-163.44 |
6.78 |
-9.55 |
-0.31 |
0 |
|
|
447023 |
135279606 |
1 |
ClFNH11C13 |
ABCD11E13 |
-11.62 |
0.48 |
-9.72 |
-0.59 |
0 |
|
|
447025 |
135279622 |
1 |
N9H27C47 |
A9B27C47 |
331.58 |
3.34 |
-8.52 |
-1.63 |
0 |
|
|
447026 |
135279632 |
1 |
ON7C28H39 |
AB7C28D39 |
37.18 |
2.22 |
-8.56 |
-0.26 |
0 |
|
|
447027 |
135279635 |
1 |
ClO2F3N7H29C30 |
AB2C3D7E29F30 |
-110.58 |
5.23 |
-9.64 |
-1.6 |
0 |
|
|
447028 |
135279639 |
1 |
NOC7H13 |
ABC7D13 |
-30.51 |
1.58 |
-9.13 |
1.94 |
0 |
|
|
447029 |
135279658 |
1 |
FON5C17H24 |
ABC5D17E24 |
-49.51 |
1.49 |
-9.07 |
-0.45 |
0 |
|
|
447030 |
135279666 |
1 |
ON7C33H49 |
AB7C33D49 |
-25.16 |
5.94 |
-8.58 |
-0.29 |
0 |
|
|
447031 |
135279695 |
1 |
ClO2C11H21 |
AB2C11D21 |
-145.9 |
1.55 |
-10.46 |
0.51 |
0 |
|
|
447032 |
135279699 |
2 |
SH13C19 |
AB13C19 |
182.95 |
0.36 |
-8.32 |
-1.12 |
0 |
|
|
447033 |
135279704 |
1 |
OSN7C26H31 |
ABC7D26E31 |
57.88 |
3.97 |
-8.57 |
-1.0 |
0 |
|
|
447034 |
135279710 |
1 |
OSN6C29H40 |
ABC6D29E40 |
12.11 |
4.51 |
-7.78 |
-0.94 |
0 |
|
|
447035 |
135279719 |
1 |
NOC11H23 |
ABC11D23 |
-76.49 |
3.4 |
-8.87 |
0.77 |
0 |
|
|
447036 |
135279720 |
1 |
OSN7C26H31 |
ABC7D26E31 |
63.67 |
2.78 |
-8.34 |
-0.8 |
0 |
|
|
447037 |
135279738 |
1 |
PS2C3H7 |
AB2C3D7 |
-17.9 |
1.81 |
-8.98 |
-0.22 |
0 |
|
|
447039 |
135279745 |
1 |
N3O4C11H13 |
A3B4C11D13 |
-113.53 |
1.74 |
-10.51 |
-0.77 |
0 |
|
|
447040 |
135279750 |
1 |
NO4C8H15 |
AB4C8D15 |
-190.6 |
6.52 |
-10.28 |
-0.3 |
0 |
|
|
447041 |
135279758 |
1 |
O8C117H130 |
A8B117C130 |
-183.97 |
6.31 |
-8.12 |
-0.99 |
0 |
|
|
447042 |
135279769 |
1 |
ClON4C24H37 |
ABC4D24E37 |
-7.81 |
1.36 |
-8.36 |
-0.35 |
0 |
|
|
447043 |
135279774 |
1 |
O2N5H25C28 |
A2B5C25D28 |
53.02 |
4.71 |
-9.04 |
-0.88 |
0 |
|
|
447044 |
135279778 |
1 |
FN3O4H26C29 |
AB3C4D26E29 |
-92.78 |
7.53 |
-9.4 |
-0.93 |
0 |
|
|
447045 |
135279784 |
1 |
ClN2H15C20 |
AB2C15D20 |
69.17 |
3.6 |
-8.37 |
-0.82 |
0 |
|
|
447046 |
135279786 |
1 |
F2N2O5C28H30 |
A2B2C5D28E30 |
-239.94 |
5.23 |
-9.14 |
-0.98 |
0 |
|
|
447047 |
135279797 |
2 |
NOC9H9 |
ABC9D9 |
34.32 |
1.36 |
-8.95 |
-2.18 |
0 |
|
|
447048 |
135279804 |
1 |
N2F3O3H17C22 |
A2B3C3D17E22 |
-171.88 |
5.86 |
-9.88 |
-1.04 |
0 |
|
|
447049 |
135279810 |
1 |
FO3C16H23 |
AB3C16D23 |
-171.93 |
2.64 |
-8.81 |
-0.01 |
0 |
|
|
447050 |
135279819 |
1 |
O2N5C23H45 |
A2B5C23D45 |
-104.07 |
2.96 |
-8.52 |
1.28 |
0 |
|
|
447051 |
135279831 |
1 |
N4O5C18H30 |
A4B5C18D30 |
-202.64 |
5.5 |
-9.44 |
-0.79 |
0 |
|
|
447052 |
135279832 |
1 |
O3N4C19H30 |
A3B4C19D30 |
-127.48 |
4.04 |
-9.09 |
-0.69 |
0 |
|
|
447053 |
135279853 |
2 |
NH11C17 |
AB11C17 |
141.36 |
3.55 |
-7.71 |
-0.64 |
0 |
|
|
447054 |
135279856 |
1 |
N2H14C25 |
A2B14C25 |
123.48 |
2.4 |
-7.6 |
-1.02 |
0 |
|
|
447055 |
135279868 |
2 |
NH12C20 |
AB12C20 |
180.17 |
2.49 |
-7.96 |
-0.9 |
0 |
|
|
447056 |
135279870 |
2 |
N2H11C19 |
A2B11C19 |
208.32 |
6.23 |
-8.25 |
-1.23 |
0 |
|
|
447057 |
135279878 |
1 |
N2H38C59 |
A2B38C59 |
262.26 |
1.66 |
-7.75 |
-0.83 |
0 |
|
|
447058 |
135279899 |
1 |
ClSN2H21C34 |
ABC2D21E34 |
140.1 |
2.64 |
-7.85 |
-0.74 |
0 |
|
|
447059 |
135279907 |
1 |
SN3H35C53 |
AB3C35D53 |
228.88 |
3.5 |
-7.74 |
-0.85 |
0 |
|
|
447060 |
135279909 |
1 |
N2H14C25 |
A2B14C25 |
121.37 |
1.06 |
-7.68 |
-1.04 |
0 |
|
|
447061 |
135279940 |
1 |
NO2C17H27 |
AB2C17D27 |
-94.77 |
2.95 |
-8.72 |
0.22 |
0 |
|
|
447062 |
135279946 |
1 |
FN4C7H11 |
AB4C7D11 |
53.21 |
4.21 |
-9.35 |
-0.24 |
0 |
|
|
447063 |
135279955 |
1 |
FNO2C15H22 |
ABC2D15E22 |
-127.36 |
2.13 |
-8.8 |
-0.06 |
0 |
|
|
447065 |
135279968 |
1 |
SN4H30C50 |
AB4C30D50 |
251.9 |
2.54 |
-7.76 |
-0.96 |
0 |
|
|
447066 |
135279979 |
2 |
NSH12C22 |
ABC12D22 |
198.61 |
1.45 |
-7.72 |
-0.92 |
0 |
|
|
447067 |
135279998 |
1 |
BrNSH22C38 |
ABCD22E38 |
159.43 |
4.63 |
-7.66 |
-1.05 |
0 |
|
|
447068 |
135280003 |
1 |
N2O8C45H64 |
A2B8C45D64 |
-387.08 |
6.72 |
-9.8 |
-0.35 |
0 |
|
|
447069 |
135280008 |
1 |
N5H33C58 |
A5B33C58 |
300.15 |
3.18 |
-7.59 |
-1.26 |
0 |
|
|
447070 |
135280027 |
1 |
N3O3H21C26 |
A3B3C21D26 |
27.64 |
4.22 |
-8.77 |
-0.74 |
0 |
|
|
447071 |
135280028 |
1 |
ON3H17C20 |
AB3C17D20 |
65.59 |
3.63 |
-8.61 |
-0.57 |
0 |
|
|
447073 |
135280038 |
1 |
N2H42C65 |
A2B42C65 |
283.1 |
1.37 |
-7.76 |
-0.83 |
0 |
|
|
447074 |
135280063 |
1 |
BrNH24C35 |
ABC24D35 |
146.98 |
1.85 |
-7.86 |
-0.81 |
0 |
|
|
447075 |
135280077 |
1 |
SN4O7C35H46 |
AB4C7D35E46 |
-300.05 |
6.12 |
-8.94 |
-0.43 |
0 |
|
|
447076 |
135280083 |
1 |
O4N5C36H43 |
A4B5C36D43 |
-128.49 |
7.36 |
-8.5 |
-0.36 |
0 |
|
|
447077 |
135280090 |
1 |
NSH29C46 |
ABC29D46 |
191.54 |
2.16 |
-7.65 |
-0.92 |
0 |
|
|
447078 |
135280093 |
1 |
N5H27C43 |
A5B27C43 |
238.54 |
2.67 |
-7.37 |
-1.04 |
0 |
|
|
447079 |
135280099 |
2 |
NH22C29 |
AB22C29 |
197.35 |
0.94 |
-7.62 |
-0.68 |
0 |
|
|
447080 |
135280104 |
1 |
NOSH19C34 |
ABCD19E34 |
121.11 |
2.44 |
-7.72 |
-0.95 |
0 |
|
|
447081 |
135280109 |
1 |
ON2H38C55 |
AB2C38D55 |
186.54 |
2.38 |
-7.5 |
-0.9 |
0 |
|
|
447083 |
135280114 |
1 |
N2O7C45H70 |
A2B7C45D70 |
-414.98 |
3.35 |
-9.61 |
-0.03 |
0 |
|
|
447084 |
135280127 |
2 |
O2N3C18H23 |
A2B3C18D23 |
-116.58 |
6.9 |
-8.28 |
-0.32 |
0 |
|
|
447085 |
135280153 |
1 |
NSH13C17 |
ABC13D17 |
60.85 |
2.49 |
-7.46 |
-0.65 |
0 |
|
|
447086 |
135280161 |
1 |
N2H22C37 |
A2B22C37 |
169.46 |
2.38 |
-7.59 |
-0.99 |
0 |
|
|
447087 |
135280177 |
1 |
ON4H28C48 |
AB4C28D48 |
215.95 |
3.19 |
-7.59 |
-1.09 |
0 |
|
|
447088 |
135280184 |
1 |
BrNC33H36 |
ABC33D36 |
38.07 |
2.86 |
-8.04 |
-0.42 |
0 |
|
|
447089 |
135280185 |
1 |
BrN2H19C31 |
AB2C19D31 |
142.97 |
4.71 |
-7.74 |
-1.08 |
0 |
|
|
447090 |
135280206 |
1 |
N2H40C65 |
A2B40C65 |
288.72 |
1.46 |
-7.81 |
-0.78 |
0 |
|
|
447091 |
135280220 |
1 |
N3O3C25H25 |
A3B3C25D25 |
-55.43 |
2.86 |
-8.7 |
-0.74 |
0 |
|
|
447092 |
135280243 |
1 |
IO6C17H21 |
AB6C17D21 |
-232.46 |
3.46 |
-9.77 |
-1.0 |
0 |
|
|
447093 |
135280251 |
1 |
S2N4O9C48H54 |
A2B4C9D48E54 |
-296.29 |
14.76 |
-8.02 |
-1.59 |
0 |
|
|
447094 |
135280253 |
1 |
N2S2C3O3H8 |
A2B2C3D3E8 |
-123.63 |
4.68 |
-10.0 |
-0.7 |
0 |
|
|
447095 |
135280267 |
1 |
N2O4H10C13 |
A2B4C10D13 |
-74.1 |
5.85 |
-9.57 |
-1.2 |
0 |
|
|
447096 |
135280268 |
1 |
P2N10O13C21H26 |
A2B10C13D21E26 |
-533.47 |
10.87 |
-9.32 |
-0.91 |
0 |
|
|
447097 |
135280277 |
1 |
NO7C16H19 |
AB7C16D19 |
-257.56 |
4.56 |
-10.01 |
-0.86 |
0 |
|
|
447098 |
135280288 |
1 |
N2O8C47H68 |
A2B8C47D68 |
-416.23 |
9.59 |
-9.37 |
-0.28 |
0 |
|
|
447099 |
135280292 |
2 |
N2O4C25H36 |
A2B4C25D36 |
-389.86 |
5.72 |
-9.32 |
-0.77 |
0 |
|
|
447100 |
135280294 |
1 |
O4N5C37H47 |
A4B5C37D47 |
-124.42 |
6.64 |
-8.7 |
-0.38 |
0 |
|
|
447101 |
135280297 |
1 |
O3N6C39H52 |
A3B6C39D52 |
-80.48 |
7.43 |
-8.64 |
-0.36 |
0 |
|
|
447102 |
135280312 |
2 |
O3C10H10 |
A3B10C10 |
-209.15 |
1.63 |
-10.02 |
-0.75 |
0 |
|
|
447104 |
135280317 |
1 |
FO2N3H18C20 |
AB2C3D18E20 |
-43.05 |
1.66 |
-9.24 |
-0.64 |
0 |
|
|
447105 |
135280321 |
1 |
O2N3H19C23 |
A2B3C19D23 |
42.97 |
3.54 |
-8.92 |
-0.96 |
0 |
|
|
447106 |
135280328 |
1 |
N3O3H19C23 |
A3B3C19D23 |
-4.96 |
3.19 |
-8.44 |
-0.82 |
0 |
|
|
447107 |
135280335 |
1 |
S3N4O12C49H56 |
A3B4C12D49E56 |
-439.19 |
16.63 |
-8.4 |
-1.82 |
0 |
|
|
447108 |
135280344 |
1 |
ClON6H19C21 |
ABC6D19E21 |
91.58 |
6.28 |
-8.12 |
-0.77 |
0 |