List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
311318 |
126590424 |
2 |
NH26C33 |
AB26C33 |
259.29 |
0.51 |
-7.93 |
-0.82 |
0 |
|
|
311319 |
126590438 |
1 |
SO4N5H23C27 |
AB4C5D23E27 |
-38.09 |
10.16 |
-8.87 |
-1.07 |
0 |
|
|
311320 |
126590439 |
1 |
FSN3O3H26C27 |
ABC3D3E26F27 |
-75.43 |
6.58 |
-8.64 |
-0.83 |
0 |
|
|
311321 |
126590453 |
1 |
FSO3N5C30H30 |
ABC3D5E30F30 |
-42.18 |
10.21 |
-8.46 |
-0.59 |
0 |
|
|
311322 |
126590457 |
1 |
SN2O2C10H10 |
AB2C2D10E10 |
-21.35 |
2.53 |
-9.56 |
-0.85 |
0 |
|
|
311323 |
126590474 |
1 |
NO3C8H15 |
AB3C8D15 |
-129.16 |
5.68 |
-9.42 |
0.95 |
0 |
|
|
311324 |
126590477 |
1 |
N3C8H15 |
A3B8C15 |
22.82 |
4.96 |
-8.88 |
0.85 |
0 |
|
|
311325 |
126590486 |
1 |
FSN3O4H24C27 |
ABC3D4E24F27 |
-96.86 |
8.13 |
-8.65 |
-0.78 |
0 |
|
|
311326 |
126590490 |
1 |
ClIN2C6H14 |
ABC2D6E14 |
-10.62 |
2.93 |
-9.2 |
-0.83 |
0 |
|
|
311327 |
126590503 |
1 |
FSN4O4C32H39 |
ABC4D4E32F39 |
-117.47 |
6.49 |
-8.14 |
-0.61 |
0 |
|
|
311328 |
126590504 |
1 |
FSN3O3H20C22 |
ABC3D3E20F22 |
-71.33 |
7.63 |
-8.62 |
-0.75 |
0 |
|
|
311329 |
126590510 |
1 |
ClF3O3N5H27C28 |
AB3C3D5E27F28 |
-193.38 |
4.09 |
-9.31 |
-1.0 |
0 |
|
|
311330 |
126590511 |
1 |
N3O3C14H15 |
A3B3C14D15 |
-81.22 |
7.18 |
-9.79 |
-1.04 |
0 |
|
|
311331 |
126590513 |
1 |
N3O4C13H15 |
A3B4C13D15 |
-89.9 |
7.3 |
-9.1 |
-0.38 |
0 |
|
|
311332 |
126590514 |
1 |
SO3N4F6H18C26 |
AB3C4D6E18F26 |
-326.06 |
4.78 |
-9.59 |
-1.12 |
0 |
|
|
311333 |
126590515 |
1 |
SO6C22H24 |
AB6C22D24 |
-208.75 |
8.24 |
-9.21 |
-0.57 |
0 |
|
|
311334 |
126590519 |
1 |
ClSN6O8C46H63 |
ABC6D8E46F63 |
-292.28 |
10.97 |
-8.51 |
-0.91 |
0 |
|
|
311335 |
126590526 |
1 |
F3N5C30H32 |
A3B5C30D32 |
-27.61 |
1.82 |
-8.45 |
-0.49 |
0 |
|
|
311336 |
126590531 |
1 |
N3O6C19H29 |
A3B6C19D29 |
-216.5 |
6.18 |
-10.06 |
-0.19 |
0 |
|
|
311337 |
126590537 |
1 |
NOF3C13H20 |
ABC3D13E20 |
-195.09 |
2.46 |
-8.68 |
0.2 |
0 |
|
|
311338 |
126590540 |
1 |
NO2C14H27 |
AB2C14D27 |
-112.16 |
3.01 |
-8.69 |
0.5 |
0 |
|
|
311339 |
126590547 |
1 |
ON2C15H26 |
AB2C15D26 |
-46.74 |
1.58 |
-9.23 |
-0.41 |
0 |
|
|
311340 |
126590550 |
1 |
FN3C10H20 |
AB3C10D20 |
-23.51 |
4.41 |
-9.84 |
-0.06 |
0 |
|
|
311341 |
126590553 |
1 |
FN6O9C20H31 |
AB6C9D20E31 |
-413.02 |
2.64 |
-10.1 |
-0.33 |
0 |
|
|
311342 |
126590555 |
1 |
FN5O7C19H22 |
AB5C7D19E22 |
-281.63 |
4.91 |
-10.02 |
-0.57 |
0 |
|
|
311343 |
126590563 |
1 |
SO3N4C26H32 |
AB3C4D26E32 |
-58.35 |
6.8 |
-8.81 |
-0.89 |
0 |
|
|
311344 |
126590593 |
1 |
FSO5N7C24H28 |
ABC5D7E24F28 |
-87.39 |
6.9 |
-8.93 |
-0.64 |
0 |
|
|
311345 |
126590595 |
1 |
ClSN7O9C47H66 |
ABC7D9E47F66 |
-358.76 |
6.67 |
-8.51 |
-0.92 |
0 |
|
|
311346 |
126590623 |
1 |
SN5O7C29H35 |
AB5C7D29E35 |
-154.96 |
4.92 |
-8.9 |
-0.54 |
0 |
|
|
311347 |
126590627 |
1 |
S3N10O19C106H152 |
A3B10C19D106E152 |
-857.54 |
10.8 |
-8.34 |
-0.34 |
0 |
|
|
311348 |
126590632 |
1 |
SN3O5C28H37 |
AB3C5D28E37 |
-94.43 |
3.02 |
-8.67 |
-0.03 |
0 |
|
|
311349 |
126590637 |
1 |
SO5N7C25H29 |
AB5C7D25E29 |
-54.26 |
6.71 |
-8.62 |
-0.6 |
0 |
|
|
311350 |
126590639 |
1 |
SO2C8H18 |
AB2C8D18 |
-126.41 |
2.56 |
-9.07 |
0.2 |
0 |
|
|
311351 |
126590641 |
1 |
O2N5H23C30 |
A2B5C23D30 |
106.57 |
2.35 |
-8.61 |
-0.94 |
0 |
|
|
311352 |
126590643 |
2 |
N2C7H8 |
A2B7C8 |
63.07 |
0.88 |
-8.79 |
-0.5 |
0 |
|
|
311353 |
126590645 |
1 |
N3O8C17H25 |
A3B8C17D25 |
-316.17 |
3.55 |
-10.12 |
-0.68 |
0 |
|
|
311354 |
126590650 |
1 |
FSO5N7C24H28 |
ABC5D7E24F28 |
-86.96 |
9.16 |
-8.8 |
-0.75 |
0 |
|
|
311355 |
126590772 |
1 |
NC11H17 |
AB11C17 |
-3.99 |
2.47 |
-9.38 |
0.15 |
0 |
|
|
311356 |
126590810 |
1 |
NSO2H9C10 |
ABC2D9E10 |
-27.74 |
2.46 |
-9.9 |
-1.14 |
0 |
|
|
311357 |
126591031 |
1 |
OF3N5C17H18 |
AB3C5D17E18 |
-121.04 |
9.92 |
-8.61 |
-0.25 |
0 |
|
|
311358 |
126591033 |
1 |
O2F4N4H16C17 |
A2B4C4D16E17 |
-209.46 |
6.64 |
-9.07 |
-1.03 |
0 |
|
|
311359 |
126591034 |
1 |
N2O3F4C17H20 |
A2B3C4D17E20 |
-343.06 |
7.08 |
-9.28 |
-0.66 |
0 |
|
|
311360 |
126591041 |
2 |
ClSN2O3C9H12 |
ABC2D3E9F12 |
-203.71 |
5.77 |
-9.86 |
-0.71 |
0 |
|
|
311361 |
126591071 |
2 |
NOC4H7 |
ABC4D7 |
-70.37 |
3.04 |
-9.17 |
0.58 |
0 |
|
|
311362 |
126591099 |
1 |
Cl2N2O3C29H32 |
A2B2C3D29E32 |
-108.37 |
3.64 |
-8.36 |
-0.41 |
0 |
|
|
311363 |
126591111 |
1 |
ClINO3C19H19 |
ABCD3E19F19 |
-87.68 |
1.44 |
-9.57 |
-1.51 |
0 |
|
|
311364 |
126591137 |
1 |
F2N2C9H14 |
A2B2C9D14 |
-68.71 |
1.71 |
-9.27 |
1.55 |
0 |
|
|
311365 |
126591138 |
2 |
FNC8H10 |
ABC8D10 |
-43.22 |
2.04 |
-8.96 |
0.43 |
0 |
|
|
311366 |
126591158 |
1 |
ON4H22C39 |
AB4C22D39 |
200.43 |
3.55 |
-8.16 |
-1.48 |
0 |
|
|
311367 |
126591159 |
1 |
N5H21C34 |
A5B21C34 |
221.81 |
3.75 |
-8.35 |
-1.52 |
0 |