List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
421048 |
135115285 |
1 |
N3O3C15H17 |
A3B3C15D17 |
-41.74 |
4.87 |
-9.89 |
-0.71 |
0 |
|
|
421049 |
135115286 |
2 |
ON2C9H13 |
AB2C9D13 |
-44.45 |
2.87 |
-8.59 |
0.24 |
0 |
|
|
421050 |
135115287 |
1 |
O2N3C24H25 |
A2B3C24D25 |
-26.97 |
6.27 |
-9.24 |
-0.62 |
0 |
|
|
421051 |
135115288 |
1 |
O4N7C33H45 |
A4B7C33D45 |
-88.84 |
6.25 |
-8.27 |
-0.58 |
0 |
|
|
421052 |
135115291 |
1 |
ON6C15H22 |
AB6C15D22 |
18.19 |
2.3 |
-8.97 |
-0.29 |
0 |
|
|
421053 |
135115292 |
1 |
O2N3C22H27 |
A2B3C22D27 |
-49.59 |
4.08 |
-8.85 |
-0.18 |
0 |
|
|
421054 |
135115294 |
1 |
F2O2N3C15H19 |
A2B2C3D15E19 |
-129.61 |
4.69 |
-8.88 |
-0.46 |
0 |
|
|
421055 |
135115295 |
1 |
N6O6C37H46 |
A6B6C37D46 |
-136.44 |
3.65 |
-8.85 |
-0.88 |
0 |
|
|
421056 |
135115296 |
1 |
ClON5C14H18 |
ABC5D14E18 |
2.49 |
4.5 |
-8.9 |
-0.42 |
0 |
|
|
421057 |
135115297 |
1 |
ON5C21H25 |
AB5C21D25 |
15.99 |
2.07 |
-8.21 |
-0.08 |
0 |
|
|
421059 |
135115299 |
1 |
ON3C14H25 |
AB3C14D25 |
-33.56 |
4.27 |
-8.99 |
0.86 |
0 |
|
|
421060 |
135115300 |
1 |
SN4O4C16H30 |
AB4C4D16E30 |
-185.15 |
1.85 |
-8.9 |
0.23 |
0 |
|
|
421061 |
135115303 |
1 |
SN2O3C12H24 |
AB2C3D12E24 |
-141.55 |
3.42 |
-9.39 |
0.14 |
0 |
|
|
421062 |
135115304 |
1 |
NSO5C13H17 |
ABC5D13E17 |
-202.97 |
10.64 |
-9.96 |
-0.83 |
0 |
|
|
421063 |
135115305 |
1 |
FN2O3C15H19 |
AB2C3D15E19 |
-78.66 |
3.5 |
-9.03 |
-0.3 |
0 |
|
|
421064 |
135115307 |
1 |
NO4C19H29 |
AB4C19D29 |
-183.6 |
5.63 |
-8.58 |
0.24 |
0 |
|
|
421065 |
135115308 |
1 |
NO4C19H27 |
AB4C19D27 |
-184.22 |
4.56 |
-9.03 |
0.03 |
0 |
|
|
421066 |
135115309 |
1 |
ClNSO4C18H26 |
ABCD4E18F26 |
-168.49 |
3.71 |
-9.23 |
-0.81 |
0 |
|
|
421067 |
135115310 |
1 |
SO2N3C18H27 |
AB2C3D18E27 |
-66.86 |
3.38 |
-8.27 |
0.31 |
0 |
|
|
421068 |
135115311 |
1 |
O2N3C19H29 |
A2B3C19D29 |
-80.54 |
3.39 |
-8.26 |
0.52 |
0 |
|
|
421069 |
135115312 |
1 |
NSCl2O3C16H21 |
ABC2D3E16F21 |
-125.88 |
4.75 |
-9.55 |
-1.12 |
0 |
|
|
421070 |
135115316 |
1 |
SO3N4C14H24 |
AB3C4D14E24 |
-110.33 |
4.51 |
-9.1 |
0.29 |
0 |
|
|
421071 |
135115318 |
1 |
N2O3C23H30 |
A2B3C23D30 |
-124.28 |
3.01 |
-8.46 |
-0.1 |
0 |
|
|
421072 |
135115349 |
1 |
FNO3C16H22 |
ABC3D16E22 |
-180.33 |
2.0 |
-9.55 |
-0.04 |
0 |
|
|
421073 |
135115351 |
1 |
NOC20H25 |
ABC20D25 |
-24.77 |
1.23 |
-8.63 |
-0.38 |
0 |
|
|
421074 |
135115353 |
1 |
N3O4C23H23 |
A3B4C23D23 |
-102.07 |
10.88 |
-9.47 |
-1.22 |
0 |
|
|
421075 |
135115354 |
1 |
ClN2O2C17H23 |
AB2C2D17E23 |
-81.7 |
2.64 |
-9.12 |
-0.64 |
0 |
|
|
421076 |
135115355 |
1 |
ClFNO5C18H21 |
ABCD5E18F21 |
-233.04 |
2.51 |
-9.62 |
-0.89 |
0 |
|
|
421077 |
135115356 |
1 |
O2N3C17H19 |
A2B3C17D19 |
-25.59 |
6.05 |
-9.23 |
-0.75 |
0 |
|
|
421078 |
135115357 |
1 |
O2N5C22H27 |
A2B5C22D27 |
10.89 |
6.22 |
-8.91 |
-0.38 |
0 |
|
|
421079 |
135115358 |
1 |
SO5N9C38H47 |
AB5C9D38E47 |
-121.61 |
4.97 |
-9.3 |
-0.98 |
0 |
|
|
421080 |
135115359 |
1 |
SN3O5C17H27 |
AB3C5D17E27 |
-223.31 |
11.07 |
-9.4 |
-0.77 |
0 |
|
|
421081 |
135115360 |
2 |
ON2C10H13 |
AB2C10D13 |
-47.16 |
4.43 |
-9.0 |
-0.2 |
0 |
|
|
421082 |
135115361 |
1 |
ClFNO3C16H21 |
ABCD3E16F21 |
-184.9 |
3.31 |
-9.11 |
-0.41 |
0 |
|
|
421083 |
135115362 |
1 |
N2O3C20H30 |
A2B3C20D30 |
-130.76 |
2.65 |
-9.27 |
0.32 |
0 |
|
|
421084 |
135115363 |
1 |
ON2C16H24 |
AB2C16D24 |
-36.62 |
4.44 |
-9.22 |
-0.14 |
0 |
|
|
421085 |
135115364 |
1 |
OSN5C16H19 |
ABC5D16E19 |
30.37 |
4.68 |
-8.56 |
-0.53 |
0 |
|
|
421086 |
135115365 |
1 |
N3O3C18H25 |
A3B3C18D25 |
-114.25 |
1.69 |
-9.06 |
-0.79 |
0 |
|
|
421087 |
135115366 |
1 |
F2O2N4C17H22 |
A2B2C4D17E22 |
-118.87 |
5.36 |
-8.77 |
-0.44 |
0 |
|
|
421088 |
135115367 |
1 |
NSO6C18H25 |
ABC6D18E25 |
-233.37 |
4.83 |
-9.68 |
-0.67 |
0 |
|
|
421089 |
135115368 |
2 |
NO2C8H9 |
AB2C8D9 |
-110.46 |
3.15 |
-9.9 |
-0.73 |
0 |
|
|
421090 |
135115369 |
1 |
ON4C18H20 |
AB4C18D20 |
24.1 |
5.32 |
-8.66 |
-0.3 |
0 |
|
|
421091 |
135115371 |
1 |
SN4O4C13H20 |
AB4C4D13E20 |
-136.84 |
8.93 |
-9.58 |
-1.06 |
0 |
|
|
421092 |
135115373 |
1 |
O6N7C36H47 |
A6B7C36D47 |
-211.13 |
5.1 |
-9.28 |
-1.19 |
0 |
|
|
421093 |
135115375 |
1 |
FO2N5C19H24 |
AB2C5D19E24 |
-96.51 |
4.15 |
-8.94 |
-0.17 |
0 |
|
|
421094 |
135115376 |
2 |
ON2C10H11 |
AB2C10D11 |
25.8 |
2.78 |
-9.32 |
-0.87 |
0 |
|
|
421095 |
135115377 |
1 |
ClNSO4C19H28 |
ABCD4E19F28 |
-185.92 |
5.57 |
-9.07 |
-0.52 |
0 |
|
|
421096 |
135115378 |
1 |
SO2N4C19H20 |
AB2C4D19E20 |
-14.64 |
6.22 |
-8.61 |
-0.67 |
0 |
|
|
421097 |
135115379 |
4 |
NOC6H7 |
ABC6D7 |
-109.08 |
2.67 |
-9.6 |
-1.0 |
0 |
|
|
421098 |
135115380 |
1 |
O7N8C38H52 |
A7B8C38D52 |
-212.64 |
6.17 |
-8.91 |
-1.27 |
0 |
|
|
421099 |
135115381 |
1 |
SO7N8C36H44 |
AB7C8D36E44 |
-191.18 |
15.46 |
-8.07 |
-1.06 |
0 |
|
|
421100 |
135115382 |
1 |
FN3O3C19H20 |
AB3C3D19E20 |
-86.33 |
5.04 |
-8.95 |
-0.65 |
0 |
|
|
421101 |
135115383 |
1 |
SN2O5C18H28 |
AB2C5D18E28 |
-207.37 |
2.44 |
-8.7 |
0.26 |
0 |
|
|
421102 |
135115384 |
1 |
ClON3C19H24 |
ABC3D19E24 |
-13.48 |
3.13 |
-8.52 |
-0.82 |
0 |
|
|
421103 |
135115385 |
1 |
N2O5C20H24 |
A2B5C20D24 |
-150.35 |
9.25 |
-9.12 |
-0.54 |
0 |
|
|
421104 |
135115386 |
1 |
O4N6C19H26 |
A4B6C19D26 |
-112.31 |
8.15 |
-9.3 |
-0.2 |
0 |
|
|
421105 |
135115387 |
1 |
FN3O4C16H18 |
AB3C4D16E18 |
-107.72 |
3.73 |
-9.16 |
-1.06 |
0 |
|
|
421106 |
135115388 |
1 |
O2N3C22H29 |
A2B3C22D29 |
-57.43 |
5.17 |
-8.82 |
-0.77 |
0 |
|
|
421107 |
135115389 |
1 |
O4N5C26H39 |
A4B5C26D39 |
-138.17 |
5.47 |
-8.44 |
0.05 |
0 |
|
|
421108 |
135115390 |
1 |
OSN3C21H21 |
ABC3D21E21 |
20.19 |
5.01 |
-8.86 |
-0.8 |
0 |
|
|
421109 |
135115391 |
1 |
NO5C18H23 |
AB5C18D23 |
-180.98 |
5.17 |
-8.94 |
-0.23 |
0 |
|
|
421111 |
135115393 |
1 |
ClO5N7C34H40 |
AB5C7D34E40 |
-109.28 |
7.74 |
-9.4 |
-0.73 |
0 |
|
|
421112 |
135115394 |
1 |
ClON4C19H21 |
ABC4D19E21 |
12.43 |
6.35 |
-8.59 |
-0.64 |
0 |
|
|
421113 |
135115396 |
1 |
NO3C20H31 |
AB3C20D31 |
-136.15 |
2.25 |
-8.21 |
0.15 |
0 |
|
|
421114 |
135115397 |
1 |
ClSN2O5C15H21 |
ABC2D5E15F21 |
-191.81 |
5.76 |
-9.2 |
-0.62 |
0 |
|
|
421115 |
135115398 |
1 |
SF2N2O4C14H18 |
AB2C2D4E14F18 |
-233.22 |
5.25 |
-9.92 |
-0.78 |
0 |
|
|
421116 |
135115399 |
1 |
FO2N3C19H22 |
AB2C3D19E22 |
-105.0 |
5.13 |
-8.91 |
-0.63 |
0 |
|
|
421117 |
135115400 |
1 |
N2O4C19H22 |
A2B4C19D22 |
-110.95 |
2.87 |
-8.58 |
-0.2 |
0 |
|
|
421118 |
135115401 |
1 |
SO3N4C19H24 |
AB3C4D19E24 |
-60.49 |
5.17 |
-9.12 |
-0.86 |
0 |
|
|
421119 |
135115402 |
1 |
O4N7C34H41 |
A4B7C34D41 |
-102.54 |
7.41 |
-8.56 |
-0.26 |
0 |
|
|
421120 |
135115403 |
1 |
O3N4C18H24 |
A3B4C18D24 |
-50.57 |
6.6 |
-8.92 |
-0.13 |
0 |
|
|
421122 |
135115405 |
1 |
NO3C21H29 |
AB3C21D29 |
-124.29 |
4.73 |
-9.62 |
-0.03 |
0 |
|
|
421123 |
135115406 |
1 |
NO4C20H29 |
AB4C20D29 |
-178.51 |
6.71 |
-8.73 |
0.12 |
0 |
|
|
421124 |
135115407 |
1 |
N3O3C17H23 |
A3B3C17D23 |
-100.12 |
3.95 |
-9.18 |
-0.16 |
0 |
|
|
421125 |
135115408 |
1 |
SN7O7C35H45 |
AB7C7D35E45 |
-248.27 |
6.06 |
-9.16 |
-1.36 |
0 |
|
|
421127 |
135115410 |
1 |
N3O3C14H23 |
A3B3C14D23 |
-91.93 |
4.88 |
-9.46 |
0.28 |
0 |
|
|
421128 |
135115415 |
1 |
N3O4C14H17 |
A3B4C14D17 |
-60.3 |
3.5 |
-9.9 |
-0.86 |
0 |
|
|
421129 |
135115421 |
1 |
N3O4C22H29 |
A3B4C22D29 |
-137.15 |
6.17 |
-8.85 |
-0.11 |
0 |
|
|
421130 |
135115422 |
1 |
SO2N5C14H15 |
AB2C5D14E15 |
32.76 |
2.03 |
-8.89 |
-0.81 |
0 |
|
|
421131 |
135115425 |
1 |
N3O3C14H15 |
A3B3C14D15 |
-32.12 |
1.34 |
-9.99 |
-0.76 |
0 |
|
|
421132 |
135115426 |
1 |
FN4O4C20H25 |
AB4C4D20E25 |
-137.59 |
3.48 |
-9.1 |
-1.08 |
0 |
|
|
421133 |
135115429 |
1 |
N5O6C33H45 |
A5B6C33D45 |
-246.35 |
4.63 |
-9.53 |
-0.51 |
0 |
|
|
421134 |
135115430 |
1 |
ClO3N4C19H23 |
AB3C4D19E23 |
-107.87 |
6.29 |
-8.98 |
-0.21 |
0 |
|
|
421135 |
135115431 |
1 |
ClNSO3C19H24 |
ABCD3E19F24 |
-125.44 |
3.27 |
-8.61 |
-0.56 |
0 |
|
|
421136 |
135115433 |
1 |
N3O3C22H27 |
A3B3C22D27 |
-51.4 |
3.65 |
-8.87 |
-0.67 |
0 |
|
|
421137 |
135115434 |
1 |
N3O3C16H23 |
A3B3C16D23 |
-105.69 |
5.3 |
-8.79 |
-0.46 |
0 |
|
|
421138 |
135115435 |
1 |
N5O7C31H49 |
A5B7C31D49 |
-307.79 |
7.09 |
-8.95 |
-0.05 |
0 |
|
|
421139 |
135115436 |
1 |
O2N3C18H23 |
A2B3C18D23 |
-58.51 |
1.82 |
-9.34 |
-0.73 |
0 |
|
|
421140 |
135115437 |
1 |
N3O3C17H29 |
A3B3C17D29 |
-144.97 |
4.03 |
-8.5 |
0.98 |
0 |
|
|
421141 |
135115438 |
1 |
NO4C21H27 |
AB4C21D27 |
-110.01 |
5.48 |
-8.39 |
0.01 |
0 |
|
|
421142 |
135115439 |
2 |
ON2C12H14 |
AB2C12D14 |
-21.22 |
4.2 |
-8.92 |
-0.26 |
0 |
|
|
421143 |
135115440 |
1 |
SN3O5C19H29 |
AB3C5D19E29 |
-194.2 |
5.16 |
-8.78 |
-0.66 |
0 |
|
|
421144 |
135115442 |
1 |
ClON5C13H18 |
ABC5D13E18 |
-6.2 |
3.71 |
-9.18 |
-0.28 |
0 |
|
|
421145 |
135115444 |
1 |
N2O4C19H24 |
A2B4C19D24 |
-132.19 |
6.37 |
-8.27 |
-0.48 |
0 |
|
|
421146 |
135115445 |
1 |
O2N3C22H33 |
A2B3C22D33 |
-73.55 |
2.9 |
-8.61 |
-0.21 |
0 |
|
|
421148 |
135115447 |
1 |
N4O7C28H32 |
A4B7C28D32 |
-234.73 |
1.73 |
-8.82 |
-0.42 |
0 |
|
|
421150 |
135115459 |
1 |
ON3C17H25 |
AB3C17D25 |
-24.99 |
6.6 |
-7.93 |
0.41 |
0 |
|
|
421152 |
135115476 |
1 |
N3O4C16H17 |
A3B4C16D17 |
-100.77 |
9.18 |
-9.41 |
-0.94 |
0 |
|
|
421153 |
135115480 |
1 |
O2N5C16H21 |
A2B5C16D21 |
-7.49 |
6.13 |
-9.09 |
-0.59 |
0 |
|
|
421154 |
135115482 |
1 |
N2O3C18H22 |
A2B3C18D22 |
-96.45 |
2.41 |
-8.48 |
-0.11 |
0 |