List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
429266 |
135169170 |
1 |
ClO3N6C26H27 |
AB3C6D26E27 |
-44.52 |
3.99 |
-9.01 |
-0.58 |
0 |
|
|
429267 |
135169171 |
3 |
ON2C9H10 |
AB2C9D10 |
-44.85 |
3.43 |
-9.01 |
-0.54 |
0 |
|
|
429268 |
135169172 |
1 |
O3N5C28H37 |
A3B5C28D37 |
-99.88 |
3.63 |
-8.87 |
-0.21 |
0 |
|
|
429269 |
135169173 |
3 |
ON2C9H10 |
AB2C9D10 |
-46.54 |
4.43 |
-8.96 |
-0.6 |
0 |
|
|
429270 |
135169174 |
1 |
ClO3N6C24H29 |
AB3C6D24E29 |
-77.36 |
6.71 |
-9.03 |
-0.81 |
0 |
|
|
429271 |
135169175 |
1 |
Cl2O3N6C26H26 |
A2B3C6D26E26 |
-50.51 |
3.95 |
-8.9 |
-0.63 |
0 |
|
|
429272 |
135169176 |
1 |
N5O6C34H41 |
A5B6C34D41 |
-207.64 |
5.86 |
-8.75 |
-0.15 |
0 |
|
|
429273 |
135169177 |
1 |
ClO3N6C26H33 |
AB3C6D26E33 |
-94.84 |
5.44 |
-8.99 |
-0.62 |
0 |
|
|
429274 |
135169178 |
1 |
SN2C12H20 |
AB2C12D20 |
3.72 |
2.8 |
-8.65 |
-0.09 |
0 |
|
|
429275 |
135169184 |
1 |
O3N5C28H37 |
A3B5C28D37 |
-102.2 |
3.22 |
-8.85 |
-0.11 |
0 |
|
|
429276 |
135169189 |
2 |
O2N3C17H21 |
A2B3C17D21 |
-93.29 |
8.49 |
-8.86 |
-0.6 |
0 |
|
|
429277 |
135169190 |
1 |
O3N5C28H35 |
A3B5C28D35 |
-65.64 |
3.78 |
-8.92 |
-0.2 |
0 |
|
|
429278 |
135169191 |
1 |
ClO4N6C28H35 |
AB4C6D28E35 |
-134.81 |
5.35 |
-9.3 |
-0.64 |
0 |
|
|
429279 |
135169192 |
1 |
ClN4O6C36H37 |
AB4C6D36E37 |
-154.17 |
5.39 |
-8.53 |
-0.54 |
0 |
|
|
429280 |
135169193 |
1 |
ClO3N6C28H31 |
AB3C6D28E31 |
-43.57 |
2.65 |
-8.6 |
-0.58 |
0 |
|
|
429281 |
135169194 |
1 |
FON7H24C27 |
ABC7D24E27 |
48.13 |
5.12 |
-8.68 |
-1.04 |
0 |
|
|
429282 |
135169195 |
1 |
FO3N8C33H33 |
AB3C8D33E33 |
-34.38 |
3.17 |
-8.54 |
-1.18 |
0 |
|
|
429283 |
135169198 |
1 |
NSC13H27 |
ABC13D27 |
-50.61 |
0.7 |
-8.29 |
0.64 |
0 |
|
|
429284 |
135169199 |
1 |
O3N5C21H25 |
A3B5C21D25 |
-73.93 |
6.46 |
-8.94 |
-0.33 |
0 |
|
|
429285 |
135169200 |
1 |
O3N5C26H27 |
A3B5C26D27 |
-39.86 |
5.81 |
-8.96 |
-0.33 |
0 |
|
|
429286 |
135169201 |
1 |
ClO3N6C26H27 |
AB3C6D26E27 |
-43.39 |
3.7 |
-9.01 |
-0.59 |
0 |
|
|
429287 |
135169202 |
1 |
ClO3N6C27H29 |
AB3C6D27E29 |
-42.91 |
6.52 |
-8.64 |
-0.62 |
0 |
|
|
429288 |
135169256 |
1 |
ISO2N6C23H23 |
ABC2D6E23F23 |
113.61 |
4.73 |
-8.94 |
-2.84 |
0 |
|
|
429289 |
135169258 |
2 |
N2C11H11 |
A2B11C11 |
75.98 |
4.27 |
-8.28 |
-0.56 |
0 |
|
|
429290 |
135169259 |
1 |
N6C23H26 |
A6B23C26 |
93.0 |
2.9 |
-8.35 |
-0.67 |
0 |
|
|
429291 |
135169260 |
1 |
SCl2N4H62C98 |
AB2C4D62E98 |
408.49 |
3.14 |
-8.12 |
-1.03 |
0 |
|
|
429292 |
135169261 |
1 |
Cl2O3N6C26H32 |
A2B3C6D26E32 |
-103.28 |
6.18 |
-9.01 |
-0.57 |
0 |
|
|
429293 |
135169262 |
1 |
O3N6C28H32 |
A3B6C28D32 |
-54.44 |
1.51 |
-8.93 |
-0.43 |
0 |
|
|
429294 |
135169263 |
1 |
ClFO3N5C27H39 |
ABC3D5E27F39 |
-206.74 |
3.69 |
-8.88 |
-0.14 |
0 |
|
|
429295 |
135169264 |
1 |
Cl2O3N5C27H27 |
A2B3C5D27E27 |
-63.95 |
5.08 |
-8.93 |
-0.57 |
0 |
|
|
429296 |
135169265 |
1 |
FIOSN4H10C17 |
ABCDE4F10G17 |
35.3 |
2.13 |
-9.27 |
-2.92 |
0 |
|
|
429297 |
135169266 |
1 |
O3N5C26H33 |
A3B5C26D33 |
-79.81 |
6.73 |
-9.55 |
-0.5 |
0 |
|
|
429298 |
135169267 |
1 |
NO2C17H17 |
AB2C17D17 |
-18.28 |
3.26 |
-9.23 |
0.03 |
0 |
|
|
429299 |
135169268 |
1 |
N2O2C15H16 |
A2B2C15D16 |
-32.34 |
3.0 |
-9.71 |
-0.36 |
0 |
|
|
429300 |
135169269 |
1 |
NO2C17H23 |
AB2C17D23 |
-68.52 |
2.85 |
-9.22 |
0.15 |
0 |
|
|
429301 |
135169270 |
1 |
NO2C17H23 |
AB2C17D23 |
-68.99 |
3.33 |
-9.22 |
0.17 |
0 |
|
|
429302 |
135169271 |
1 |
IOSN3C13H14 |
ABCD3E13F14 |
37.34 |
5.56 |
-9.12 |
-2.62 |
0 |
|
|
429303 |
135169272 |
1 |
FIOSN4H16C24 |
ABCDE4F16G24 |
59.86 |
2.68 |
-9.26 |
-2.88 |
0 |
|
|
429304 |
135169273 |
2 |
N2H12C13 |
A2B12C13 |
104.71 |
4.92 |
-8.29 |
-0.69 |
0 |
|
|
429305 |
135169274 |
1 |
N5C21H21 |
A5B21C21 |
93.86 |
3.52 |
-8.5 |
-0.68 |
0 |
|
|
429306 |
135169275 |
1 |
FON4H17C20 |
ABC4D17E20 |
8.29 |
7.45 |
-9.0 |
-1.01 |
0 |
|
|
429307 |
135169276 |
1 |
FON4H19C21 |
ABC4D19E21 |
-3.92 |
2.76 |
-8.98 |
-1.04 |
0 |
|
|
429308 |
135169277 |
1 |
ISN3H10C16 |
ABC3D10E16 |
121.78 |
3.94 |
-9.07 |
-2.64 |
0 |
|
|
429309 |
135169278 |
1 |
F2O3N6C26H26 |
A2B3C6D26E26 |
-124.58 |
6.53 |
-8.94 |
-0.6 |
0 |
|
|
429310 |
135169279 |
1 |
IOSN4H15C21 |
ABCD4E15F21 |
114.59 |
5.69 |
-8.58 |
-2.57 |
0 |
|
|
429311 |
135169280 |
1 |
ON4H24C26 |
AB4C24D26 |
108.99 |
2.84 |
-8.62 |
-0.78 |
0 |
|
|
429312 |
135169281 |
2 |
N2C13H14 |
A2B13C14 |
109.4 |
1.81 |
-8.72 |
-0.76 |
0 |
|
|
429313 |
135169282 |
1 |
ISN3H16C23 |
ABC3D16E23 |
135.9 |
2.54 |
-8.91 |
-2.57 |
0 |
|
|
429314 |
135169283 |
1 |
ON3C13H15 |
AB3C13D15 |
20.62 |
3.43 |
-9.84 |
-0.42 |
0 |
|
|
429315 |
135169284 |
1 |
SO3N6C16H20 |
AB3C6D16E20 |
-54.88 |
7.71 |
-9.02 |
-1.49 |
0 |
|
|
429316 |
135169285 |
2 |
SO3N4C14H18 |
AB3C4D14E18 |
-176.66 |
8.41 |
-9.4 |
-1.75 |
0 |
|
|
429317 |
135169286 |
2 |
N2C5H7 |
A2B5C7 |
42.27 |
1.14 |
-8.43 |
-0.26 |
0 |
|
|
429318 |
135169287 |
1 |
FIOSN5H19C29 |
ABCDE5F19G29 |
94.75 |
3.86 |
-9.28 |
-2.87 |
0 |
|
|
429319 |
135169288 |
1 |
FIOSN4H18C22 |
ABCDE4F18G22 |
38.98 |
7.82 |
-8.96 |
-2.86 |
0 |
|
|
429320 |
135169289 |
1 |
ClIOSN4H16C21 |
ABCDE4F16G21 |
88.58 |
3.86 |
-9.24 |
-2.79 |
0 |
|
|
429321 |
135169290 |
2 |
N3C9H14 |
A3B9C14 |
42.89 |
4.98 |
-8.85 |
0.85 |
0 |
|
|
429322 |
135169291 |
1 |
IOSN3C10H10 |
ABCD3E10F10 |
19.64 |
2.24 |
-9.14 |
-2.64 |
0 |
|
|
429323 |
135169292 |
1 |
FSO3N5C19H22 |
ABC3D5E19F22 |
-96.0 |
4.41 |
-8.21 |
-0.57 |
0 |
|
|
429324 |
135169293 |
1 |
FSO2N5H12C13 |
ABC2D5E12F13 |
-32.93 |
3.35 |
-8.38 |
-0.65 |
0 |
|
|
429325 |
135169294 |
1 |
ClFO3N5C27H27 |
ABC3D5E27F27 |
-101.62 |
3.19 |
-8.94 |
-0.52 |
0 |
|
|
429326 |
135169295 |
1 |
ClO3N5C28H30 |
AB3C5D28E30 |
-60.39 |
6.51 |
-8.89 |
-0.41 |
0 |
|
|
429327 |
135169296 |
2 |
N2H8C11 |
A2B8C11 |
125.82 |
2.32 |
-8.7 |
-0.94 |
0 |
|
|
429328 |
135169297 |
1 |
IOSN4H13C18 |
ABCD4E13F18 |
79.76 |
5.59 |
-9.22 |
-2.81 |
0 |
|
|
429329 |
135169298 |
1 |
O3N5C28H37 |
A3B5C28D37 |
-104.29 |
2.46 |
-8.75 |
-0.16 |
0 |
|
|
429330 |
135169299 |
1 |
SO5N8C23H32 |
AB5C8D23E32 |
-173.73 |
5.68 |
-9.38 |
-1.84 |
0 |
|
|
429331 |
135169300 |
1 |
IO3N4C17H23 |
AB3C4D17E23 |
-98.69 |
3.85 |
-9.1 |
-1.01 |
0 |
|
|
429332 |
135169301 |
1 |
ON2C13H26 |
AB2C13D26 |
-89.03 |
1.34 |
-8.56 |
2.46 |
0 |
|
|
429333 |
135169302 |
1 |
NSC11H17 |
ABC11D17 |
8.35 |
2.54 |
-8.87 |
0.26 |
0 |
|
|
429334 |
135169303 |
3 |
NC4H5 |
AB4C5 |
33.95 |
1.15 |
-8.24 |
-0.54 |
0 |
|
|
429335 |
135169304 |
1 |
FON7C26H28 |
ABC7D26E28 |
22.7 |
6.92 |
-8.44 |
-0.8 |
0 |
|
|
429336 |
135169305 |
1 |
FN5C28H30 |
AB5C28D30 |
79.38 |
8.29 |
-8.38 |
-0.89 |
0 |
|
|
429337 |
135169306 |
1 |
N5C26H29 |
A5B26C29 |
90.61 |
2.64 |
-8.3 |
-0.56 |
0 |
|
|
429338 |
135169307 |
1 |
SO5N8C29H38 |
AB5C8D29E38 |
-148.18 |
6.42 |
-9.45 |
-1.75 |
0 |
|
|
429339 |
135169308 |
1 |
SO5N11C33H45 |
AB5C11D33E45 |
-136.79 |
9.34 |
-9.24 |
-1.55 |
0 |
|
|
429340 |
135169314 |
1 |
NC13H27 |
AB13C27 |
-44.63 |
1.18 |
-8.34 |
2.96 |
0 |
|
|
429341 |
135169315 |
1 |
SO5N11C26H39 |
AB5C11D26E39 |
-165.92 |
4.78 |
-9.1 |
-1.56 |
0 |
|
|
429342 |
135169316 |
1 |
O2H12C15 |
A2B12C15 |
8.46 |
2.69 |
-8.41 |
-0.91 |
0 |
|
|
429343 |
135169317 |
1 |
SH12C13 |
AB12C13 |
55.76 |
1.87 |
-8.51 |
-0.75 |
0 |
|
|
429344 |
135169318 |
1 |
BrISN3H5C7 |
ABCD3E5F7 |
74.91 |
3.66 |
-8.8 |
-2.62 |
0 |
|
|
429345 |
135169319 |
1 |
S2H12C15 |
A2B12C15 |
73.32 |
2.03 |
-8.29 |
-1.01 |
0 |
|
|
429346 |
135169320 |
1 |
O2H12C15 |
A2B12C15 |
9.8 |
1.71 |
-8.35 |
-0.91 |
0 |
|
|
429347 |
135169321 |
1 |
S2H12C15 |
A2B12C15 |
77.06 |
1.78 |
-8.21 |
-0.76 |
0 |
|
|
429348 |
135169322 |
1 |
SO5N11C33H45 |
AB5C11D33E45 |
-140.0 |
3.74 |
-9.22 |
-1.42 |
0 |
|
|
429349 |
135169323 |
1 |
SO5N11C33H47 |
AB5C11D33E47 |
-159.39 |
8.38 |
-9.21 |
-1.56 |
0 |
|
|
429350 |
135169324 |
1 |
SO5N10C26H38 |
AB5C10D26E38 |
-141.72 |
9.21 |
-9.06 |
-1.0 |
0 |
|
|
429351 |
135169325 |
1 |
SN3C18H23 |
AB3C18D23 |
30.21 |
3.42 |
-8.61 |
-0.48 |
0 |
|
|
429352 |
135169326 |
1 |
F3O3N6C25H29 |
A3B3C6D25E29 |
-225.92 |
6.16 |
-9.16 |
-0.56 |
0 |
|
|
429353 |
135169327 |
1 |
SO5N8C29H36 |
AB5C8D29E36 |
-141.43 |
8.95 |
-9.41 |
-1.72 |
0 |
|
|
429354 |
135169328 |
2 |
SO3N4C14H18 |
AB3C4D14E18 |
-174.92 |
9.61 |
-9.33 |
-1.72 |
0 |
|
|
429355 |
135169368 |
1 |
N4H14C17 |
A4B14C17 |
90.61 |
2.85 |
-8.49 |
-0.72 |
0 |
|
|
429356 |
135169370 |
1 |
SO4N5C22H27 |
AB4C5D22E27 |
-105.3 |
3.41 |
-8.24 |
-0.3 |
0 |
|
|
429357 |
135169375 |
1 |
N3C7H11 |
A3B7C11 |
42.82 |
2.8 |
-9.51 |
-0.08 |
0 |
|
|
429358 |
135169381 |
1 |
ClS2O4N5C21H26 |
AB2C4D5E21F26 |
-105.81 |
8.4 |
-8.05 |
-0.28 |
0 |
|
|
429359 |
135169382 |
1 |
ON2F5C12H17 |
AB2C5D12E17 |
-281.89 |
1.67 |
-8.72 |
0.35 |
0 |
|
|
429360 |
135169383 |
2 |
NC5F5H5 |
AB5C5D5 |
-509.44 |
2.84 |
-9.57 |
-0.95 |
0 |
|
|
429361 |
135169384 |
1 |
N2H9C11F13 |
A2B9C11D13 |
-666.3 |
3.19 |
-9.98 |
-1.32 |
0 |
|
|
429362 |
135169385 |
1 |
ON2F4C12H18 |
AB2C4D12E18 |
-239.0 |
1.93 |
-8.76 |
0.63 |
0 |
|
|
429363 |
135169386 |
1 |
ON2F7C13H17 |
AB2C7D13E17 |
-398.73 |
3.31 |
-9.26 |
-0.24 |
0 |
|
|
429364 |
135169387 |
1 |
N2H9C10F11 |
A2B9C10D11 |
-555.7 |
2.95 |
-9.73 |
-1.01 |
0 |
|
|
429365 |
135169388 |
1 |
BrC16H31 |
AB16C31 |
-71.31 |
2.91 |
-10.06 |
0.22 |
0 |