List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
414271 |
135087227 |
1 |
ClSN2O3C15H19 |
ABC2D3E15F19 |
-121.83 |
2.02 |
-8.84 |
-0.28 |
0 |
|
|
414273 |
135087229 |
1 |
FO4N5C16H16 |
AB4C5D16E16 |
-82.55 |
2.94 |
-9.35 |
-1.54 |
0 |
|
|
414274 |
135087230 |
1 |
O6N7C39H53 |
A6B7C39D53 |
-222.49 |
8.43 |
-9.05 |
-0.46 |
0 |
|
|
414275 |
135087231 |
1 |
O2N4C21H28 |
A2B4C21D28 |
-46.58 |
3.36 |
-8.65 |
0.15 |
0 |
|
|
414277 |
135087233 |
1 |
N2O3C17H24 |
A2B3C17D24 |
-131.12 |
2.87 |
-8.64 |
0.2 |
0 |
|
|
414278 |
135087234 |
1 |
ClO2N3C14H18 |
AB2C3D14E18 |
-44.96 |
5.21 |
-8.94 |
-0.92 |
0 |
|
|
414279 |
135087235 |
1 |
NO2C20H35 |
AB2C20D35 |
-141.58 |
1.1 |
-8.58 |
1.58 |
0 |
|
|
414280 |
135087236 |
1 |
OF2N4C17H22 |
AB2C4D17E22 |
-92.13 |
4.08 |
-9.04 |
-0.35 |
0 |
|
|
414281 |
135087237 |
1 |
F3N5C17H18 |
A3B5C17D18 |
-105.03 |
5.77 |
-8.94 |
-0.54 |
0 |
|
|
414282 |
135087238 |
1 |
N3O4C20H29 |
A3B4C20D29 |
-100.45 |
5.11 |
-8.64 |
-0.22 |
0 |
|
|
414283 |
135087239 |
1 |
O3N8C26H38 |
A3B8C26D38 |
-56.22 |
13.41 |
-9.53 |
-0.69 |
0 |
|
|
414284 |
135087240 |
2 |
ON2C8H13 |
AB2C8D13 |
-70.91 |
6.23 |
-8.75 |
-0.22 |
0 |
|
|
414285 |
135087241 |
1 |
N2S2O4C19H28 |
A2B2C4D19E28 |
-174.15 |
1.79 |
-9.07 |
-0.3 |
0 |
|
|
414286 |
135087242 |
2 |
N3O3C14H18 |
A3B3C14D18 |
-7.88 |
10.77 |
-7.81 |
-2.22 |
0 |
|
|
414287 |
135087243 |
1 |
FN3O3C19H26 |
AB3C3D19E26 |
-111.73 |
5.6 |
-9.02 |
-0.97 |
0 |
|
|
414288 |
135087244 |
1 |
ON3C21H29 |
AB3C21D29 |
-11.53 |
5.88 |
-8.92 |
-0.09 |
0 |
|
|
414289 |
135087245 |
1 |
FON6C10H13 |
ABC6D10E13 |
2.33 |
1.25 |
-9.32 |
-0.59 |
0 |
|
|
414290 |
135087246 |
1 |
O2N4C17H26 |
A2B4C17D26 |
-38.71 |
6.2 |
-8.91 |
0.03 |
0 |
|
|
414291 |
135087247 |
1 |
ClNSO5C17H22 |
ABCD5E17F22 |
-213.01 |
4.6 |
-9.75 |
-1.24 |
0 |
|
|
414293 |
135087249 |
1 |
NO5C26H29 |
AB5C26D29 |
-168.76 |
1.47 |
-9.6 |
-1.03 |
0 |
|
|
414294 |
135087250 |
1 |
SN2O4C23H26 |
AB2C4D23E26 |
-119.24 |
7.67 |
-9.26 |
-0.58 |
0 |
|
|
414295 |
135087251 |
1 |
ClN2O3C19H21 |
AB2C3D19E21 |
-88.61 |
1.7 |
-9.19 |
-0.41 |
0 |
|
|
414297 |
135087253 |
1 |
FSN2O5C15H21 |
ABC2D5E15F21 |
-227.24 |
7.32 |
-8.95 |
-0.26 |
0 |
|
|
414298 |
135087254 |
1 |
N3O4C23H29 |
A3B4C23D29 |
-151.69 |
4.29 |
-9.3 |
-0.91 |
0 |
|
|
414299 |
135087255 |
1 |
N2O3C18H24 |
A2B3C18D24 |
-86.24 |
6.61 |
-8.84 |
0.0 |
0 |
|
|
414300 |
135087256 |
2 |
ON2C11H13 |
AB2C11D13 |
-23.55 |
4.28 |
-9.25 |
-0.63 |
0 |
|
|
414301 |
135087257 |
1 |
FNO3C15H20 |
ABC3D15E20 |
-173.08 |
4.57 |
-10.0 |
-0.48 |
0 |
|
|
414302 |
135087258 |
1 |
N2O4C17H22 |
A2B4C17D22 |
-119.3 |
6.04 |
-8.78 |
-0.09 |
0 |
|
|
414304 |
135087260 |
1 |
Cl2O2N4C15H16 |
A2B2C4D15E16 |
-57.54 |
5.97 |
-9.16 |
-1.27 |
0 |
|
|
414305 |
135087261 |
1 |
ClO3N4C17H21 |
AB3C4D17E21 |
-54.62 |
4.63 |
-9.22 |
-0.65 |
0 |
|
|
414306 |
135087262 |
4 |
NC4H7 |
AB4C7 |
12.78 |
4.08 |
-8.74 |
0.04 |
0 |
|
|
414307 |
135087263 |
1 |
O5N6C26H32 |
A5B6C26D32 |
-128.74 |
5.68 |
-8.68 |
-0.22 |
0 |
|
|
414308 |
135087264 |
2 |
NO3C8H10 |
AB3C8D10 |
-169.28 |
5.05 |
-8.99 |
-1.16 |
0 |
|
|
414309 |
135087265 |
1 |
OF3N4C15H21 |
AB3C4D15E21 |
-179.72 |
4.1 |
-9.24 |
-1.03 |
0 |
|
|
414310 |
135087266 |
1 |
SN3O3C14H17 |
AB3C3D14E17 |
-92.49 |
7.31 |
-8.89 |
-0.94 |
0 |
|
|
414311 |
135087267 |
1 |
ON6C22H26 |
AB6C22D26 |
50.44 |
4.04 |
-8.58 |
-0.42 |
0 |
|
|
414312 |
135087268 |
1 |
F2O2N4C15H16 |
A2B2C4D15E16 |
-119.97 |
6.76 |
-9.33 |
-0.45 |
0 |
|
|
414313 |
135087269 |
1 |
N2O3C17H20 |
A2B3C17D20 |
-97.37 |
7.13 |
-8.69 |
-0.49 |
0 |
|
|
414314 |
135087270 |
1 |
SN2O2C18H20 |
AB2C2D18E20 |
-39.63 |
4.94 |
-9.3 |
-0.39 |
0 |
|
|
414316 |
135087272 |
1 |
N3O3C13H21 |
A3B3C13D21 |
-128.21 |
5.09 |
-8.66 |
0.63 |
0 |
|
|
414317 |
135087273 |
2 |
ON2C9H13 |
AB2C9D13 |
-48.83 |
8.04 |
-8.4 |
0.07 |
0 |
|
|
414318 |
135087274 |
1 |
O2N3C17H23 |
A2B3C17D23 |
-49.39 |
4.76 |
-9.36 |
-0.15 |
0 |
|
|
414319 |
135087275 |
1 |
ON4C19H26 |
AB4C19D26 |
6.97 |
5.71 |
-9.28 |
-0.43 |
0 |
|
|
414320 |
135087276 |
1 |
FNO4C18H24 |
ABC4D18E24 |
-193.56 |
4.31 |
-9.55 |
-0.27 |
0 |
|
|
414321 |
135087277 |
2 |
ON2C9H13 |
AB2C9D13 |
-73.25 |
3.6 |
-9.27 |
-0.87 |
0 |
|
|
414322 |
135087278 |
2 |
ON2C12H15 |
AB2C12D15 |
-10.79 |
3.92 |
-7.89 |
-0.44 |
0 |
|
|
414323 |
135087279 |
1 |
ClNSO6C13H16 |
ABCD6E13F16 |
-241.36 |
4.62 |
-9.72 |
-0.91 |
0 |
|
|
414324 |
135087280 |
1 |
SO2N3C17H17 |
AB2C3D17E17 |
-4.78 |
4.4 |
-9.13 |
-0.7 |
0 |
|
|
414325 |
135087281 |
1 |
N2O2C21H32 |
A2B2C21D32 |
-102.8 |
4.24 |
-8.22 |
0.52 |
0 |
|
|
414326 |
135087282 |
1 |
NSO5C22H25 |
ABC5D22E25 |
-167.97 |
4.72 |
-9.34 |
-0.83 |
0 |
|
|
414327 |
135087283 |
1 |
N2O4C21H24 |
A2B4C21D24 |
-117.64 |
4.69 |
-8.57 |
-0.58 |
0 |
|
|
414328 |
135087284 |
1 |
ClFN3O3C16H19 |
ABC3D3E16F19 |
-132.11 |
4.13 |
-9.28 |
-0.7 |
0 |
|
|
414329 |
135087285 |
1 |
SN4O4C14H24 |
AB4C4D14E24 |
-144.82 |
4.28 |
-9.7 |
0.29 |
0 |
|
|
414330 |
135087286 |
1 |
OSN4C16H22 |
ABC4D16E22 |
-6.15 |
5.04 |
-8.91 |
-0.66 |
0 |
|
|
414331 |
135087287 |
1 |
N4O4C19H22 |
A4B4C19D22 |
-104.37 |
4.26 |
-9.1 |
-1.01 |
0 |
|
|
414332 |
135087288 |
1 |
N3O3C15H23 |
A3B3C15D23 |
-107.82 |
3.85 |
-8.8 |
-0.35 |
0 |
|
|
414333 |
135087289 |
1 |
ClON2C18H21 |
ABC2D18E21 |
-26.8 |
5.77 |
-8.54 |
-0.08 |
0 |
|
|
414334 |
135087290 |
1 |
N2O3C18H30 |
A2B3C18D30 |
-177.84 |
2.37 |
-9.27 |
1.0 |
0 |
|
|
414335 |
135087291 |
1 |
O2N4C21H24 |
A2B4C21D24 |
-13.13 |
3.13 |
-9.35 |
-0.75 |
0 |
|
|
414336 |
135087292 |
1 |
ON3C16H25 |
AB3C16D25 |
-26.67 |
3.98 |
-8.7 |
0.0 |
0 |
|
|
414337 |
135087293 |
1 |
ClN4O4C19H23 |
AB4C4D19E23 |
-125.62 |
6.56 |
-8.38 |
-0.2 |
0 |
|
|
414338 |
135087294 |
1 |
O5N6C32H44 |
A5B6C32D44 |
-181.42 |
7.42 |
-8.15 |
-0.34 |
0 |
|
|
414339 |
135087295 |
1 |
O3N5C26H37 |
A3B5C26D37 |
-127.4 |
5.92 |
-8.25 |
0.22 |
0 |
|
|
414341 |
135087297 |
2 |
NO2C9H11 |
AB2C9D11 |
-146.57 |
2.16 |
-9.01 |
-0.35 |
0 |
|
|
414342 |
135087298 |
1 |
O2N5C13H17 |
A2B5C13D17 |
-14.72 |
7.38 |
-9.15 |
-0.21 |
0 |
|
|
414343 |
135087299 |
1 |
O2N3C22H29 |
A2B3C22D29 |
-54.92 |
5.49 |
-8.87 |
-0.73 |
0 |
|
|
414344 |
135087300 |
1 |
O3N5C20H25 |
A3B5C20D25 |
-64.94 |
8.62 |
-9.5 |
-1.0 |
0 |
|
|
414345 |
135087301 |
1 |
N2O4C21H24 |
A2B4C21D24 |
-133.67 |
3.6 |
-8.3 |
-0.35 |
0 |
|
|
414346 |
135087302 |
1 |
ClNO5H14C15 |
ABC5D14E15 |
-174.66 |
6.83 |
-10.01 |
-0.66 |
0 |
|
|
414347 |
135087303 |
1 |
O2N5C18H23 |
A2B5C18D23 |
-26.61 |
3.0 |
-9.45 |
-0.21 |
0 |
|
|
414348 |
135087304 |
1 |
ON7C15H19 |
AB7C15D19 |
40.66 |
2.43 |
-9.04 |
-0.33 |
0 |
|
|
414349 |
135087305 |
1 |
ClO2N3C20H22 |
AB2C3D20E22 |
-59.34 |
3.74 |
-9.19 |
-0.42 |
0 |
|
|
414350 |
135087306 |
1 |
O4N5C26H35 |
A4B5C26D35 |
-69.21 |
5.72 |
-8.78 |
-0.11 |
0 |
|
|
414351 |
135087307 |
1 |
SO6N8C34H42 |
AB6C8D34E42 |
-180.66 |
4.52 |
-9.6 |
-1.1 |
0 |
|
|
414352 |
135087308 |
1 |
SO4N8C36H50 |
AB4C8D36E50 |
-110.61 |
8.34 |
-9.29 |
-0.76 |
0 |
|
|
414353 |
135087309 |
1 |
N3O3C22H27 |
A3B3C22D27 |
-109.89 |
1.24 |
-8.39 |
-0.03 |
0 |
|
|
414354 |
135087310 |
1 |
O6N8C31H44 |
A6B8C31D44 |
-238.33 |
6.43 |
-9.37 |
0.02 |
0 |
|
|
414355 |
135087311 |
1 |
ClN3O3C18H22 |
AB3C3D18E22 |
-61.72 |
3.26 |
-9.46 |
-0.74 |
0 |
|
|
414356 |
135087312 |
4 |
NOC5H6 |
ABC5D6 |
-89.9 |
0.91 |
-8.81 |
-0.18 |
0 |
|
|
414357 |
135087313 |
1 |
SO2N3C17H17 |
AB2C3D17E17 |
-8.24 |
5.17 |
-9.35 |
-0.4 |
0 |
|
|
414358 |
135087314 |
1 |
O5N6C26H32 |
A5B6C26D32 |
-169.13 |
4.73 |
-8.45 |
-0.43 |
0 |
|
|
414359 |
135087315 |
1 |
S2O6N7C39H51 |
A2B6C7D39E51 |
-183.91 |
8.58 |
-7.88 |
-0.88 |
0 |
|
|
414360 |
135087316 |
1 |
ClO4N7C31H32 |
AB4C7D31E32 |
13.44 |
5.55 |
-8.6 |
-1.0 |
0 |
|
|
414361 |
135087317 |
1 |
FO2N5C17H18 |
AB2C5D17E18 |
-21.21 |
4.82 |
-9.24 |
-0.72 |
0 |
|
|
414362 |
135087318 |
1 |
N2O3C23H36 |
A2B3C23D36 |
-143.78 |
6.67 |
-8.85 |
0.37 |
0 |
|
|
414363 |
135087319 |
1 |
FN4O4C20H25 |
AB4C4D20E25 |
-100.39 |
2.15 |
-9.04 |
-1.0 |
0 |
|
|
414364 |
135087320 |
1 |
ClO3N4C19H23 |
AB3C4D19E23 |
-91.64 |
7.15 |
-9.66 |
-0.58 |
0 |
|
|
414365 |
135087321 |
1 |
ON4C16H28 |
AB4C16D28 |
-21.76 |
4.71 |
-8.7 |
0.79 |
0 |
|
|
414366 |
135087322 |
1 |
SN2O6C16H24 |
AB2C6D16E24 |
-223.04 |
6.76 |
-8.77 |
0.08 |
0 |
|
|
414367 |
135087323 |
1 |
O3N6C16H18 |
A3B6C16D18 |
25.48 |
6.19 |
-9.27 |
-1.05 |
0 |
|
|
414368 |
135087324 |
1 |
SO2N4C18H20 |
AB2C4D18E20 |
-0.62 |
5.51 |
-9.24 |
-1.42 |
0 |
|
|
414369 |
135087325 |
2 |
O2N3C15H21 |
A2B3C15D21 |
-154.85 |
4.31 |
-9.12 |
-0.08 |
0 |
|
|
414371 |
135087327 |
1 |
SO2N3C17H19 |
AB2C3D17E19 |
-30.87 |
5.87 |
-9.02 |
-0.34 |
0 |
|
|
414372 |
135087328 |
1 |
O4N5C18H23 |
A4B5C18D23 |
-82.97 |
5.05 |
-8.54 |
-0.06 |
0 |
|
|
414373 |
135087329 |
1 |
N2O4C21H26 |
A2B4C21D26 |
-116.87 |
4.7 |
-9.07 |
0.0 |
0 |
|
|
414374 |
135087330 |
1 |
ClON3C20H26 |
ABC3D20E26 |
-24.03 |
4.28 |
-8.44 |
-0.66 |
0 |
|
|
414375 |
135087331 |
1 |
SN2O4C13H24 |
AB2C4D13E24 |
-200.99 |
5.46 |
-9.56 |
0.47 |
0 |
|
|
414376 |
135087332 |
1 |
FNSO5C13H16 |
ABCD5E13F16 |
-252.46 |
8.72 |
-9.96 |
-1.09 |
0 |
|
|
414377 |
135087333 |
1 |
ClO2N4C17H23 |
AB2C4D17E23 |
-43.85 |
6.18 |
-8.7 |
-0.12 |
0 |
|
|
414378 |
135087334 |
1 |
N2O6C21H30 |
A2B6C21D30 |
-260.77 |
4.07 |
-9.21 |
-0.28 |
0 |