List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
224267 |
85340987 |
1 |
NO2C16H31 |
AB2C16D31 |
-125.55 |
1.17 |
-8.28 |
1.95 |
0 |
|
|
224268 |
85340991 |
1 |
NO2C14H19 |
AB2C14D19 |
-78.43 |
4.05 |
-9.21 |
0.26 |
0 |
|
|
224269 |
85341009 |
1 |
SiO2C15H30 |
AB2C15D30 |
-173.24 |
3.32 |
-8.78 |
0.73 |
0 |
|
|
224270 |
85341017 |
1 |
NO2C16H33 |
AB2C16D33 |
-142.25 |
3.72 |
-9.68 |
2.02 |
0 |
|
|
224271 |
85341018 |
1 |
NS2C14H25 |
AB2C14D25 |
0.03 |
3.79 |
-8.28 |
-0.26 |
0 |
|
|
224272 |
85341026 |
2 |
N3C7H10 |
A3B7C10 |
61.93 |
5.44 |
-9.03 |
-0.75 |
0 |
|
|
224273 |
85341031 |
1 |
SN3O4C10H15 |
AB3C4D10E15 |
-160.29 |
5.22 |
-9.27 |
-0.48 |
0 |
|
|
224274 |
85341032 |
1 |
NO3C16H19 |
AB3C16D19 |
-94.01 |
1.24 |
-9.33 |
-0.11 |
0 |
|
|
224275 |
85341033 |
1 |
NO2C17H23 |
AB2C17D23 |
-87.8 |
3.37 |
-8.65 |
0.29 |
0 |
|
|
224276 |
85341043 |
1 |
O3C17H22 |
A3B17C22 |
-113.07 |
4.97 |
-9.57 |
0.12 |
0 |
|
|
224277 |
85341046 |
1 |
SiO4C13H26 |
AB4C13D26 |
-239.53 |
4.19 |
-8.66 |
0.24 |
0 |
|
|
224278 |
85341049 |
1 |
OSiC17H26 |
ABC17D26 |
-58.31 |
1.1 |
-9.11 |
0.45 |
0 |
|
|
224279 |
85341054 |
1 |
NPO3C13H26 |
ABC3D13E26 |
-205.02 |
5.56 |
-9.01 |
1.14 |
0 |
|
|
224280 |
85341055 |
1 |
NO5C13H25 |
AB5C13D25 |
-249.39 |
3.85 |
-8.79 |
0.81 |
0 |
|
|
224281 |
85341066 |
4 |
OC4H5 |
AB4C5 |
-160.89 |
4.85 |
-9.54 |
0.19 |
0 |
|
|
224282 |
85341069 |
1 |
N2O3C15H20 |
A2B3C15D20 |
-95.53 |
2.79 |
-8.83 |
0.15 |
0 |
|
|
224283 |
85341083 |
1 |
ZnO2C14H14 |
AB2C14D14 |
-12.35 |
2.62 |
-9.18 |
-1.48 |
0 |
|
|
224284 |
85341091 |
2 |
O2C8H11 |
A2B8C11 |
-157.97 |
3.19 |
-9.54 |
-0.54 |
0 |
|
|
224285 |
85341110 |
1 |
O3C17H28 |
A3B17C28 |
-172.08 |
2.39 |
-9.91 |
0.79 |
0 |
|
|
224286 |
85341120 |
1 |
NO4C15H23 |
AB4C15D23 |
-183.29 |
5.93 |
-9.2 |
-0.22 |
0 |
|
|
224287 |
85341127 |
1 |
IO2C9H15 |
AB2C9D15 |
-81.62 |
1.94 |
-9.23 |
-0.44 |
0 |
|
|
224288 |
85341134 |
1 |
ClIC9H12 |
ABC9D12 |
52.26 |
2.62 |
-9.35 |
-1.33 |
0 |
|
|
224289 |
85341135 |
1 |
NO6C13H17 |
AB6C13D17 |
-205.11 |
1.16 |
-9.81 |
-0.37 |
0 |
|
|
224290 |
85341138 |
1 |
N3O4C13H21 |
A3B4C13D21 |
-177.36 |
4.22 |
-9.55 |
-0.48 |
0 |
|
|
224291 |
85341143 |
1 |
NSiO3C14H25 |
ABC3D14E25 |
-203.89 |
4.74 |
-9.12 |
0.19 |
0 |
|
|
224292 |
85341157 |
1 |
O3C17H32 |
A3B17C32 |
-167.09 |
2.24 |
-10.08 |
0.76 |
0 |
|
|
224293 |
85341162 |
1 |
ClO2H13C17 |
AB2C13D17 |
-14.36 |
4.99 |
-9.43 |
-1.19 |
0 |
|
|
224294 |
85341168 |
1 |
NOPC17H20 |
ABCD17E20 |
-32.44 |
3.24 |
-9.47 |
-0.04 |
0 |
|
|
224296 |
85341191 |
1 |
O5C15H26 |
A5B15C26 |
-240.45 |
2.44 |
-9.78 |
-0.13 |
0 |
|
|
224297 |
85341192 |
2 |
NO2C7H13 |
AB2C7D13 |
-62.81 |
5.72 |
-10.52 |
-0.72 |
0 |
|
|
224298 |
85341193 |
1 |
SO2C17H18 |
AB2C17D18 |
-5.88 |
2.61 |
-8.29 |
0.08 |
0 |
|
|
224299 |
85341195 |
1 |
OC20H30 |
AB20C30 |
-43.79 |
3.44 |
-9.13 |
0.43 |
0 |
|
|
224302 |
85341217 |
1 |
N3O5C12H23 |
A3B5C12D23 |
-181.83 |
3.2 |
-9.95 |
-0.03 |
0 |
|
|
224303 |
85341220 |
1 |
ClNO2C16H16 |
ABC2D16E16 |
-31.63 |
5.65 |
-8.19 |
-1.48 |
0 |
|
|
224304 |
85341222 |
1 |
IOC11H15 |
ABC11D15 |
-28.47 |
3.44 |
-9.48 |
-0.84 |
0 |
|
|
224305 |
85341227 |
1 |
N2O2C17H26 |
A2B2C17D26 |
-41.42 |
3.17 |
-9.11 |
-0.61 |
0 |
|
|
224306 |
85341230 |
1 |
OS3C13H22 |
AB3C13D22 |
-17.03 |
4.39 |
-8.52 |
-1.08 |
0 |
|
|
224307 |
85341234 |
3 |
NOC5H7 |
ABC5D7 |
-74.77 |
8.01 |
-9.83 |
-0.42 |
0 |
|
|
224309 |
85341238 |
1 |
NSO2C16H21 |
ABC2D16E21 |
-62.34 |
5.9 |
-9.39 |
-0.33 |
0 |
|
|
224310 |
85341271 |
3 |
OC6H10 |
AB6C10 |
-175.21 |
3.82 |
-10.05 |
0.93 |
0 |
|
|
224311 |
85341283 |
1 |
NO2C19H21 |
AB2C19D21 |
-2.35 |
1.81 |
-8.89 |
0.06 |
0 |
|
|
224312 |
85341284 |
1 |
NO2C19H21 |
AB2C19D21 |
-54.79 |
3.41 |
-9.44 |
0.2 |
0 |
|
|
224313 |
85341289 |
2 |
O2H8C9 |
A2B8C9 |
-89.85 |
3.21 |
-9.0 |
-0.92 |
0 |
|
|
224314 |
85341314 |
1 |
NSiO3C15H27 |
ABC3D15E27 |
-162.47 |
1.21 |
-9.02 |
0.76 |
0 |
|
|
224315 |
85341338 |
2 |
OC10H14 |
AB10C14 |
-40.8 |
2.57 |
-9.35 |
-0.05 |
0 |
|
|
224317 |
85341370 |
1 |
FNSO3C14H22 |
ABCD3E14F22 |
-197.74 |
4.09 |
-8.71 |
0.1 |
0 |
|
|
224318 |
85341371 |
1 |
NO3C18H25 |
AB3C18D25 |
-122.25 |
2.09 |
-9.32 |
0.24 |
0 |
|
|
224319 |
85341412 |
1 |
O5C17H24 |
A5B17C24 |
-217.27 |
3.22 |
-8.96 |
0.82 |
0 |
|
|
224320 |
85341422 |
2 |
OC10H18 |
AB10C18 |
-123.25 |
1.85 |
-9.66 |
2.42 |
0 |
|
|
224321 |
85341547 |
1 |
FeO5C14H16 |
AB5C14D16 |
61.0 |
4.78 |
-6.97 |
-0.51 |
0 |