List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
411328 |
135084151 |
3 |
C5H6 |
A5B6 |
54.74 |
1.58 |
-8.75 |
0.15 |
0 |
|
|
411329 |
135084152 |
1 |
ON3C11H17 |
AB3C11D17 |
36.15 |
5.48 |
-9.91 |
-0.16 |
0 |
|
|
411330 |
135084153 |
1 |
NO2C7H11 |
AB2C7D11 |
-37.42 |
4.23 |
-10.19 |
0.5 |
0 |
|
|
411331 |
135084154 |
1 |
BrOC11H11 |
ABC11D11 |
-6.4 |
3.31 |
-9.53 |
-0.71 |
0 |
|
|
411332 |
135084155 |
1 |
OC15H22 |
AB15C22 |
-49.78 |
1.54 |
-9.3 |
0.38 |
0 |
|
|
411333 |
135084156 |
2 |
NOC6H6 |
ABC6D6 |
-0.38 |
0.86 |
-8.66 |
-0.86 |
1 |
|
|
411334 |
135084157 |
1 |
N2O2C12H13 |
A2B2C12D13 |
11.63 |
5.96 |
0.0 |
0.0 |
0 |
|
|
411335 |
135084158 |
1 |
FNO2C12H12 |
ABC2D12E12 |
-54.49 |
4.8 |
-9.65 |
-0.46 |
0 |
|
|
411336 |
135084159 |
1 |
NO2C10H17 |
AB2C10D17 |
-55.59 |
4.13 |
-10.18 |
0.57 |
0 |
|
|
411337 |
135084160 |
1 |
O3C14H24 |
A3B14C24 |
-138.08 |
4.02 |
-10.12 |
0.24 |
0 |
|
|
411338 |
135084161 |
1 |
NBr2O2H7C9 |
AB2C2D7E9 |
-33.73 |
3.88 |
-10.03 |
-1.25 |
0 |
|
|
411339 |
135084162 |
1 |
O2F3C11H11 |
A2B3C11D11 |
-235.8 |
2.32 |
-10.4 |
-0.78 |
0 |
|
|
411340 |
135084163 |
2 |
OC6H10 |
AB6C10 |
-87.12 |
3.87 |
-9.44 |
0.05 |
0 |
|
|
411342 |
135084165 |
1 |
OSiC9H18 |
ABC9D18 |
-80.87 |
1.66 |
-9.6 |
0.78 |
0 |
|
|
411343 |
135084166 |
1 |
AuClNC13H17 |
ABCD13E17 |
75.45 |
11.41 |
-10.09 |
-1.77 |
0 |
|
|
411344 |
135084167 |
1 |
NaCl2N2H3C7 |
AB2C2D3E7 |
3.22 |
8.39 |
-8.16 |
-0.42 |
0 |
|
|
411345 |
135084168 |
1 |
NC15H17 |
AB15C17 |
97.56 |
2.08 |
-8.12 |
0.59 |
0 |
|
|
411346 |
135084169 |
1 |
ON2Cl3C11H13 |
AB2C3D11E13 |
-52.7 |
2.75 |
-10.11 |
-1.08 |
0 |
|
|
411347 |
135084170 |
1 |
BrF3H8C11 |
AB3C8D11 |
-110.53 |
4.56 |
-9.92 |
-0.74 |
0 |
|
|
411348 |
135084171 |
1 |
BrNO3C12H16 |
ABC3D12E16 |
-113.57 |
2.45 |
-9.32 |
-0.16 |
0 |
|
|
411349 |
135084172 |
1 |
FC16H17 |
AB16C17 |
32.08 |
2.36 |
-9.56 |
-0.06 |
0 |
|
|
411350 |
135084173 |
1 |
OC14H18 |
AB14C18 |
-22.09 |
3.31 |
-9.62 |
-0.61 |
1 |
|
|
411351 |
135084174 |
1 |
ON2C11H17 |
AB2C11D17 |
14.36 |
1.03 |
0.0 |
0.0 |
0 |
|
|
411352 |
135084175 |
1 |
ClON2F3H8C10 |
ABC2D3E8F10 |
-145.15 |
1.94 |
-9.24 |
-0.97 |
0 |
|
|
411353 |
135084176 |
1 |
O2S2H8C11 |
A2B2C8D11 |
-0.04 |
3.13 |
-9.16 |
-1.35 |
0 |
|
|
411354 |
135084177 |
2 |
OC5H9 |
AB5C9 |
-65.49 |
2.3 |
-9.77 |
1.14 |
0 |
|
|
411355 |
135084178 |
1 |
ClSN2O4C7H7 |
ABC2D4E7F7 |
-31.37 |
2.91 |
-10.1 |
-2.12 |
0 |
|
|
411356 |
135084179 |
1 |
SF3O3C9H13 |
AB3C3D9E13 |
-294.01 |
6.99 |
-10.85 |
-0.59 |
0 |
|
|
411357 |
135084180 |
1 |
NO3C7H11 |
AB3C7D11 |
-88.44 |
3.87 |
-9.32 |
0.03 |
0 |
|
|
411358 |
135084181 |
1 |
O2C11H18 |
A2B11C18 |
-95.38 |
1.84 |
-9.09 |
0.55 |
0 |
|
|
411359 |
135084182 |
1 |
O5C11H16 |
A5B11C16 |
-208.54 |
2.79 |
-9.73 |
-0.16 |
0 |
|
|
411360 |
135084183 |
1 |
NO2H11C13 |
AB2C11D13 |
5.97 |
3.55 |
-9.18 |
-1.05 |
0 |
|
|
411361 |
135084184 |
1 |
BrNO2C10H10 |
ABC2D10E10 |
-22.03 |
5.44 |
-9.59 |
-0.71 |
0 |
|
|
411362 |
135084185 |
1 |
BrON5C10H10 |
ABC5D10E10 |
132.02 |
6.23 |
-9.07 |
-1.81 |
0 |
|
|
411363 |
135084186 |
1 |
HNF4C7 |
ABC4D7 |
-100.29 |
1.88 |
-10.61 |
-1.5 |
0 |
|
|
411364 |
135084187 |
1 |
N3O4H7C8 |
A3B4C7D8 |
32.97 |
5.81 |
-11.17 |
-2.09 |
0 |
|
|
411365 |
135084188 |
1 |
ClOC13H17 |
ABC13D17 |
-47.04 |
2.69 |
-9.3 |
-0.05 |
0 |
|
|
411366 |
135084189 |
1 |
H12C13 |
A12B13 |
104.04 |
1.07 |
-8.76 |
-0.2 |
0 |
|
|
411367 |
135084190 |
1 |
ClOC13H15 |
ABC13D15 |
-22.98 |
3.85 |
-9.12 |
0.15 |
0 |
|
|
411368 |
135084191 |
1 |
O3C10H16 |
A3B10C16 |
-139.39 |
2.24 |
-10.39 |
-0.25 |
0 |
|
|
411369 |
135084192 |
1 |
ClN2O2H9C11 |
AB2C2D9E11 |
-0.27 |
3.36 |
-9.43 |
-1.03 |
1 |
|
|
411370 |
135084193 |
1 |
ClN2O2H10C11 |
AB2C2D10E11 |
8.93 |
6.02 |
0.0 |
0.0 |
0 |
|
|
411371 |
135084194 |
1 |
BrNSO2C12H14 |
ABCD2E12F14 |
-10.33 |
5.03 |
-9.48 |
-1.29 |
0 |
|
|
411372 |
135084195 |
1 |
ClO2C14H15 |
AB2C14D15 |
-21.3 |
1.57 |
-9.14 |
-0.33 |
0 |
|
|
411373 |
135084196 |
2 |
O2C5H9 |
A2B5C9 |
-172.23 |
4.44 |
-10.4 |
0.51 |
0 |
|
|
411374 |
135084197 |
2 |
OC6H10 |
AB6C10 |
-71.3 |
4.13 |
-9.96 |
0.66 |
0 |
|
|
411375 |
135084198 |
1 |
NO2C13H23 |
AB2C13D23 |
-71.37 |
3.56 |
-9.12 |
0.47 |
0 |
|
|
411376 |
135084199 |
1 |
O5C12H20 |
A5B12C20 |
-226.53 |
1.88 |
-9.95 |
0.2 |
0 |
|
|
411377 |
135084200 |
1 |
O2C11H16 |
A2B11C16 |
-57.82 |
1.75 |
-10.09 |
0.41 |
0 |
|
|
411378 |
135084201 |
2 |
OSC5H5 |
ABC5D5 |
-7.5 |
1.85 |
-8.27 |
-0.59 |
0 |