List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
300229 |
121269889 |
2 |
FNOH5C6 |
ABCD5E6 |
-92.35 |
1.34 |
-8.86 |
-0.73 |
0 |
|
|
300230 |
121269891 |
1 |
N2O6H18C23 |
A2B6C18D23 |
-125.44 |
8.03 |
-8.92 |
-1.14 |
0 |
|
|
300231 |
121269893 |
1 |
N2O6H18C23 |
A2B6C18D23 |
-82.43 |
8.1 |
-8.94 |
-1.14 |
0 |
|
|
300232 |
121269894 |
1 |
ClFNSO2H9C15 |
ABCDE2F9G15 |
-52.76 |
4.8 |
-9.07 |
-1.34 |
0 |
|
|
300233 |
121269898 |
1 |
ClF3N3O3H13C18 |
AB3C3D3E13F18 |
-192.9 |
6.82 |
-9.54 |
-1.52 |
0 |
|
|
300234 |
121269905 |
1 |
BrSF3O4H8C14 |
ABC3D4E8F14 |
-238.25 |
3.61 |
-10.1 |
-1.52 |
0 |
|
|
300235 |
121269906 |
1 |
SF4O4H8C15 |
AB4C4D8E15 |
-290.71 |
1.29 |
-10.17 |
-1.95 |
0 |
|
|
300236 |
121269907 |
1 |
NSO5F7H10C20 |
ABC5D7E10F20 |
-452.79 |
2.47 |
-9.36 |
-2.06 |
0 |
|
|
300237 |
121269908 |
2 |
ON2C5H5 |
AB2C5D5 |
28.16 |
4.35 |
-8.98 |
-0.93 |
0 |
|
|
300238 |
121269909 |
1 |
OSF4H10C16 |
ABC4D10E16 |
-172.0 |
3.47 |
-9.12 |
-1.72 |
0 |
|
|
300239 |
121269910 |
1 |
FNO2C8H8 |
ABC2D8E8 |
-80.89 |
4.33 |
-9.33 |
-0.29 |
0 |
|
|
300240 |
121269911 |
1 |
FNSO2C12H12 |
ABCD2E12F12 |
-86.49 |
3.18 |
-8.7 |
-0.82 |
0 |
|
|
300241 |
121269915 |
1 |
NSF3O4H8C15 |
ABC3D4E8F15 |
-207.29 |
3.81 |
-10.4 |
-1.69 |
0 |
|
|
300242 |
121269921 |
1 |
F3O3N5H6C9 |
A3B3C5D6E9 |
-184.45 |
5.0 |
-9.85 |
-1.61 |
0 |
|
|
300243 |
121269922 |
1 |
FO2N3H12C15 |
AB2C3D12E15 |
-50.67 |
7.29 |
-8.5 |
-1.07 |
0 |
|
|
300244 |
121269924 |
1 |
SF3N3O3H10C18 |
AB3C3D3E10F18 |
-95.81 |
8.73 |
-9.92 |
-2.03 |
0 |
|
|
300245 |
121269927 |
1 |
SN2O3F4H8C16 |
AB2C3D4E8F16 |
-196.25 |
8.37 |
-8.83 |
-2.0 |
0 |
|
|
300246 |
121269934 |
1 |
ClNO2F3H7C9 |
ABC2D3E7F9 |
-200.52 |
4.23 |
-9.84 |
-1.12 |
0 |
|
|
300247 |
121269937 |
1 |
SF2N2O6H16C20 |
AB2C2D6E16F20 |
-269.43 |
6.21 |
-9.87 |
-1.36 |
0 |
|
|
300248 |
121269943 |
1 |
ClN3O3C14H14 |
AB3C3D14E14 |
-44.35 |
5.11 |
-9.07 |
-0.85 |
0 |
|
|
300249 |
121269953 |
1 |
OSF3N3H6C10 |
ABC3D3E6F10 |
-77.47 |
10.26 |
-9.94 |
-2.06 |
0 |
|
|
300250 |
121269961 |
1 |
SN2O4F5H15C19 |
AB2C4D5E15F19 |
-330.4 |
2.72 |
-9.24 |
-1.3 |
0 |
|
|
300251 |
121269966 |
1 |
IN2O3C7H7 |
AB2C3D7E7 |
-74.29 |
5.02 |
-9.05 |
-1.16 |
0 |
|
|
300252 |
121269973 |
1 |
NF3O3H10C11 |
AB3C3D10E11 |
-235.53 |
3.02 |
-9.7 |
-1.21 |
0 |
|
|
300253 |
121269976 |
1 |
ClN3O3H14C17 |
AB3C3D14E17 |
-67.21 |
4.15 |
-9.32 |
-1.13 |
0 |
|
|
300254 |
121269990 |
1 |
Cl2O2N6H12C17 |
A2B2C6D12E17 |
111.76 |
8.27 |
-9.6 |
-1.59 |
0 |
|
|
300255 |
121269993 |
1 |
Cl2O2N3H11C15 |
A2B2C3D11E15 |
52.79 |
9.97 |
-9.48 |
-1.48 |
0 |
|
|
300256 |
121270002 |
1 |
ClN3O4H16C18 |
AB3C4D16E18 |
-26.8 |
8.16 |
-9.16 |
-0.8 |
0 |
|
|
300257 |
121270003 |
1 |
F2O2N3H11C15 |
A2B2C3D11E15 |
-23.02 |
10.08 |
-9.73 |
-1.42 |
0 |
|
|
300258 |
121270022 |
1 |
F2N3O3H13C16 |
A2B3C3D13E16 |
-63.9 |
11.86 |
-9.34 |
-1.38 |
0 |
|
|
300259 |
121270032 |
1 |
F3N3O3H12C16 |
A3B3C3D12E16 |
-120.18 |
9.29 |
-9.44 |
-1.46 |
0 |
|
|
300260 |
121270033 |
1 |
Cl2O3N4H14C17 |
A2B3C4D14E17 |
1.72 |
12.46 |
-9.33 |
-1.3 |
0 |
|
|
300261 |
121270034 |
1 |
Cl2O2N4H12C15 |
A2B2C4D12E15 |
48.87 |
10.11 |
-8.98 |
-1.32 |
0 |
|
|
300262 |
121270047 |
1 |
O3N7C25H27 |
A3B7C25D27 |
14.61 |
8.75 |
-8.62 |
-0.99 |
0 |
|
|
300266 |
121270057 |
1 |
ClO3N5H26C27 |
AB3C5D26E27 |
-7.4 |
8.49 |
-8.67 |
-1.14 |
0 |
|
|
300271 |
121270097 |
1 |
O3N6C27H28 |
A3B6C27D28 |
-5.11 |
6.46 |
-8.65 |
-1.02 |
0 |
|
|
300272 |
121270099 |
1 |
ClO2N5C28H28 |
AB2C5D28E28 |
8.45 |
3.58 |
-8.72 |
-1.15 |
0 |
|
|
300273 |
121270105 |
1 |
ClO2N6H23C27 |
AB2C6D23E27 |
70.48 |
9.36 |
-8.7 |
-1.47 |
0 |
|
|
300278 |
121270133 |
2 |
ON3H13C14 |
AB3C13D14 |
62.17 |
3.06 |
-8.83 |
-1.58 |
0 |
|
|
300289 |
121270219 |
1 |
ClO2N6C25H25 |
AB2C6D25E25 |
39.28 |
7.28 |
-8.7 |
-1.14 |
0 |
|
|
300303 |
121270281 |
1 |
ClO2N6C26H27 |
AB2C6D26E27 |
28.18 |
4.55 |
-8.76 |
-1.18 |
0 |
|
|
300304 |
121270283 |
1 |
ClO3N5H24C25 |
AB3C5D24E25 |
-16.51 |
4.31 |
-8.6 |
-1.13 |
0 |
|
|
300305 |
121270284 |
1 |
ClO2N6C27H27 |
AB2C6D27E27 |
26.76 |
6.19 |
-8.72 |
-1.19 |
0 |
|
|
300306 |
121270285 |
1 |
O4N5C21H23 |
A4B5C21D23 |
-75.78 |
8.73 |
-8.71 |
-1.07 |
0 |
|
|
300310 |
121270306 |
1 |
ClO2N6C25H25 |
AB2C6D25E25 |
39.97 |
5.44 |
-8.75 |
-1.18 |
0 |
|
|
300317 |
121270333 |
1 |
ClO2N6H23C25 |
AB2C6D23E25 |
47.62 |
5.26 |
-8.7 |
-1.33 |
0 |
|
|
300356 |
121270455 |
1 |
ClO2N6H23C25 |
AB2C6D23E25 |
50.03 |
8.9 |
-9.21 |
-1.32 |
0 |
|
|
300366 |
121270486 |
1 |
ClON4C19H20 |
ABC4D19E20 |
81.28 |
4.03 |
0.0 |
0.0 |
0 |
|
|
300369 |
121270491 |
1 |
ClO3N4C25H29 |
AB3C4D25E29 |
-78.34 |
4.83 |
-8.63 |
-1.14 |
0 |
|
|
300401 |
121270589 |
1 |
ClO2N6H23C25 |
AB2C6D23E25 |
45.88 |
5.32 |
-8.8 |
-1.31 |
0 |