List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
333281 |
127251833 |
1 |
O2N6C25H32 |
A2B6C25D32 |
-40.88 |
6.91 |
-8.23 |
-0.34 |
0 |
|
|
333282 |
127251834 |
1 |
O2N6C25H32 |
A2B6C25D32 |
-42.06 |
9.24 |
-8.47 |
-0.28 |
0 |
|
|
333283 |
127251835 |
1 |
O2N6C25H32 |
A2B6C25D32 |
-40.65 |
4.08 |
-8.29 |
-0.31 |
0 |
|
|
333284 |
127251836 |
1 |
O2N6C25H32 |
A2B6C25D32 |
-41.19 |
9.74 |
-8.68 |
-0.17 |
0 |
|
|
333285 |
127251837 |
1 |
O2N6C25H30 |
A2B6C25D30 |
-5.52 |
4.07 |
-8.96 |
-0.57 |
0 |
|
|
333286 |
127251838 |
1 |
O3N5C23H29 |
A3B5C23D29 |
-77.64 |
8.88 |
-9.26 |
-0.47 |
0 |
|
|
333287 |
127251839 |
1 |
O3N5C24H31 |
A3B5C24D31 |
-96.58 |
5.03 |
-9.05 |
-0.45 |
0 |
|
|
333288 |
127251840 |
2 |
ON3C12H15 |
AB3C12D15 |
-30.65 |
8.06 |
-8.78 |
-0.12 |
0 |
|
|
333289 |
127251841 |
1 |
O3N6C22H30 |
A3B6C22D30 |
-67.09 |
5.36 |
-9.23 |
-0.36 |
0 |
|
|
333290 |
127251842 |
1 |
OSN6C24H28 |
ABC6D24E28 |
49.65 |
6.64 |
-8.91 |
-0.66 |
0 |
|
|
333291 |
127251843 |
1 |
F2O3N5C22H25 |
A2B3C5D22E25 |
-163.2 |
4.91 |
-9.24 |
-0.61 |
0 |
|
|
333292 |
127251844 |
1 |
O2N6C25H30 |
A2B6C25D30 |
-31.75 |
4.26 |
-8.52 |
-0.28 |
0 |
|
|
333293 |
127251845 |
1 |
O3N5C24H31 |
A3B5C24D31 |
-89.85 |
5.32 |
-9.29 |
-0.46 |
0 |
|
|
333294 |
127251846 |
1 |
O3N5C24H31 |
A3B5C24D31 |
-84.89 |
4.9 |
-9.2 |
-0.36 |
0 |
|
|
333295 |
127251847 |
1 |
SO3N5C21H29 |
AB3C5D21E29 |
-68.39 |
2.24 |
-8.72 |
-0.3 |
0 |
|
|
333296 |
127251848 |
1 |
O2N5C23H31 |
A2B5C23D31 |
-36.03 |
7.62 |
-8.51 |
-0.28 |
0 |
|
|
333297 |
127251849 |
1 |
O3N5C24H31 |
A3B5C24D31 |
-86.93 |
5.07 |
-9.21 |
-0.41 |
0 |
|
|
333298 |
127251850 |
1 |
O2N5C21H33 |
A2B5C21D33 |
-89.79 |
8.87 |
-9.05 |
-0.33 |
0 |
|
|
333299 |
127251851 |
1 |
O3N5C22H33 |
A3B5C22D33 |
-142.0 |
5.82 |
-9.3 |
-0.44 |
0 |
|
|
333300 |
127251852 |
1 |
FON5C23H30 |
ABC5D23E30 |
-49.8 |
7.72 |
-8.95 |
-0.2 |
0 |
|
|
333301 |
127251853 |
1 |
FO2N5C24H30 |
AB2C5D24E30 |
-101.03 |
9.97 |
-9.26 |
-0.52 |
0 |
|
|
333302 |
127251854 |
1 |
O2N5C26H35 |
A2B5C26D35 |
-53.21 |
1.82 |
-8.59 |
-0.22 |
0 |
|
|
333303 |
127251855 |
1 |
O2N5C26H35 |
A2B5C26D35 |
-50.43 |
5.44 |
-8.87 |
-0.23 |
0 |
|
|
333304 |
127251856 |
1 |
ON6C24H38 |
AB6C24D38 |
-36.73 |
5.96 |
-8.57 |
-0.09 |
0 |
|
|
333305 |
127251857 |
1 |
FSO3N5C20H26 |
ABC3D5E20F26 |
-105.05 |
5.42 |
-8.81 |
-0.7 |
0 |
|
|
333306 |
127251858 |
1 |
O2N5C26H35 |
A2B5C26D35 |
-44.18 |
5.78 |
-8.87 |
-0.09 |
0 |
|
|
333307 |
127251859 |
1 |
O3N5C25H31 |
A3B5C25D31 |
-94.71 |
7.99 |
-8.82 |
-0.34 |
0 |
|
|
333308 |
127251860 |
1 |
O3N5C23H29 |
A3B5C23D29 |
-81.22 |
5.99 |
-9.21 |
-0.44 |
0 |
|
|
333309 |
127251861 |
1 |
FSO2N5C20H26 |
ABC2D5E20F26 |
-76.72 |
6.28 |
-8.9 |
-0.58 |
0 |
|
|
333310 |
127251862 |
1 |
FSO3N5C21H26 |
ABC3D5E21F26 |
-129.31 |
5.33 |
-9.2 |
-0.62 |
0 |
|
|
333311 |
127251863 |
1 |
FSO3N5C21H26 |
ABC3D5E21F26 |
-126.29 |
5.62 |
-9.23 |
-0.94 |
0 |
|
|
333312 |
127251864 |
1 |
SO2N5C21H29 |
AB2C5D21E29 |
-37.99 |
2.94 |
-8.77 |
-0.2 |
0 |
|
|
333313 |
127251865 |
1 |
SO3N5C22H29 |
AB3C5D22E29 |
-90.8 |
5.91 |
-9.01 |
-0.25 |
0 |
|
|
333314 |
127251866 |
1 |
SO3N5C22H29 |
AB3C5D22E29 |
-93.76 |
9.1 |
-8.98 |
-0.52 |
0 |
|
|
333315 |
127251867 |
1 |
O2N5C23H31 |
A2B5C23D31 |
-43.95 |
8.65 |
-8.8 |
-0.18 |
0 |
|
|
333316 |
127251868 |
1 |
FON6C24H29 |
ABC6D24E29 |
-24.95 |
6.59 |
-8.53 |
-0.32 |
0 |
|
|
333317 |
127251869 |
1 |
ON6C26H36 |
AB6C26D36 |
-2.71 |
5.67 |
-8.45 |
-0.07 |
0 |
|
|
333318 |
127251870 |
1 |
ON6C25H34 |
AB6C25D34 |
7.96 |
6.52 |
-7.9 |
-0.21 |
0 |
|
|
333319 |
127251871 |
1 |
ON6C26H36 |
AB6C26D36 |
-8.3 |
8.62 |
-8.06 |
-0.2 |
0 |
|
|
333320 |
127251872 |
1 |
ON6C26H36 |
AB6C26D36 |
-4.9 |
6.24 |
-8.53 |
-0.24 |
0 |
|
|
333321 |
127251873 |
1 |
O2N5C25H35 |
A2B5C25D35 |
-41.42 |
1.19 |
-8.47 |
-0.26 |
0 |
|
|
333322 |
127251874 |
1 |
O2N5C25H35 |
A2B5C25D35 |
-58.35 |
6.95 |
-8.5 |
-0.23 |
0 |
|
|
333323 |
127251875 |
1 |
FON5C24H32 |
ABC5D24E32 |
-57.93 |
5.21 |
-8.89 |
-0.13 |
0 |
|
|
333324 |
127251876 |
1 |
ON5C23H31 |
AB5C23D31 |
-11.16 |
7.25 |
-8.92 |
-0.15 |
0 |
|
|
333325 |
127251877 |
1 |
O2N5C24H31 |
A2B5C24D31 |
-64.0 |
5.33 |
-9.19 |
-0.33 |
0 |
|
|
333326 |
127251878 |
1 |
O3N5C24H33 |
A3B5C24D33 |
-88.99 |
10.23 |
-8.88 |
-0.25 |
0 |
|
|
333327 |
127251879 |
1 |
SO3N5C22H31 |
AB3C5D22E31 |
-81.53 |
6.3 |
-8.83 |
-0.09 |
0 |
|
|
333328 |
127251880 |
1 |
SO3N5C20H27 |
AB3C5D20E27 |
-60.14 |
6.61 |
-8.9 |
-0.37 |
0 |
|
|
333329 |
127251881 |
1 |
SO4N5C21H27 |
AB4C5D21E27 |
-112.93 |
4.1 |
-9.15 |
-0.44 |
0 |
|
|
333330 |
127251882 |
1 |
SO4N5C21H27 |
AB4C5D21E27 |
-110.1 |
3.86 |
-9.28 |
-0.74 |
0 |