List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
308418 |
125327656 |
1 |
NSO6C11H15 |
ABC6D11E15 |
-230.77 |
1.48 |
-10.09 |
-1.22 |
0 |
|
|
308419 |
125327657 |
1 |
ON7H21C23 |
AB7C21D23 |
128.33 |
3.6 |
-8.06 |
-1.07 |
0 |
|
|
308420 |
125327660 |
1 |
O2N3C20H27 |
A2B3C20D27 |
-30.4 |
2.57 |
-8.56 |
-1.73 |
0 |
|
|
308421 |
125327668 |
1 |
S2F3N3O4H16C20 |
A2B3C3D4E16F20 |
-155.22 |
5.74 |
-8.98 |
-2.27 |
0 |
|
|
308422 |
125327669 |
1 |
SO3N5H19C26 |
AB3C5D19E26 |
53.4 |
4.91 |
-8.78 |
-1.63 |
0 |
|
|
308423 |
125327701 |
1 |
O2N5C13H15 |
A2B5C13D15 |
-21.31 |
6.48 |
-9.29 |
-0.97 |
0 |
|
|
308425 |
125327808 |
1 |
ClSN5O5H20C21 |
ABC5D5E20F21 |
-108.94 |
4.16 |
-8.92 |
-1.45 |
0 |
|
|
308426 |
125327821 |
1 |
BrOSN3H20C26 |
ABCD3E20F26 |
114.64 |
4.63 |
-9.24 |
-2.18 |
0 |
|
|
308427 |
125327833 |
1 |
S2O3N4C16H16 |
A2B3C4D16E16 |
-37.87 |
3.14 |
-9.28 |
-1.46 |
0 |
|
|
308428 |
125327834 |
1 |
S2O3N4C16H16 |
A2B3C4D16E16 |
-35.18 |
3.63 |
-9.32 |
-1.46 |
0 |
|
|
308429 |
125327838 |
1 |
ClN2S2O10H27C28 |
AB2C2D10E27F28 |
-355.69 |
3.6 |
-9.03 |
-1.62 |
0 |
|
|
308430 |
125327841 |
1 |
NO23C31H53 |
AB23C31D53 |
-1037.88 |
7.63 |
-9.99 |
-0.5 |
0 |
|
|
308431 |
125327852 |
1 |
O4N5H27C31 |
A4B5C27D31 |
-15.55 |
3.3 |
-8.62 |
-1.29 |
0 |
|
|
308432 |
125327884 |
1 |
ClON3C4H6 |
ABC3D4E6 |
6.91 |
4.78 |
-10.5 |
-1.34 |
0 |
|
|
308433 |
125327902 |
1 |
SO3N5H25C27 |
AB3C5D25E27 |
12.4 |
4.41 |
-8.82 |
-1.41 |
0 |
|
|
308434 |
125327922 |
1 |
ClSO3N6H19C22 |
ABC3D6E19F22 |
-24.94 |
4.34 |
-9.09 |
-1.18 |
0 |
|
|
308435 |
125327975 |
1 |
SN3O5H21C24 |
AB3C5D21E24 |
-63.59 |
4.7 |
-9.04 |
-1.91 |
0 |
|
|
308436 |
125327978 |
1 |
FNCl2O3H6C11 |
ABC2D3E6F11 |
-101.82 |
3.46 |
-10.45 |
-1.29 |
0 |
|
|
308437 |
125327980 |
2 |
N2O5C22H34 |
A2B5C22D34 |
-425.9 |
18.6 |
-6.39 |
-1.31 |
0 |
|
|
308438 |
125333074 |
1 |
BrN2O3H5C6 |
AB2C3D5E6 |
-41.05 |
3.36 |
-10.02 |
-1.77 |
0 |
|
|
308439 |
125333080 |
1 |
BrN2O3H5C6 |
AB2C3D5E6 |
-42.76 |
3.12 |
-10.07 |
-1.84 |
0 |
|
|
308440 |
125333081 |
1 |
ClFSO2N4H12C17 |
ABCD2E4F12G17 |
6.38 |
8.21 |
-9.05 |
-1.32 |
0 |
|
|
308441 |
125333083 |
1 |
ClFSO2N4H12C17 |
ABCD2E4F12G17 |
5.32 |
4.7 |
-9.2 |
-1.21 |
0 |
|
|
308442 |
125333084 |
1 |
ClFSO2N4H12C17 |
ABCD2E4F12G17 |
6.31 |
8.1 |
-9.18 |
-1.34 |
0 |
|
|
308443 |
125333094 |
1 |
N4O5C23H30 |
A4B5C23D30 |
-187.19 |
6.0 |
-8.74 |
-0.26 |
0 |
|
|
308444 |
125333104 |
1 |
O3N4C20H20 |
A3B4C20D20 |
2.78 |
4.53 |
-9.18 |
-1.26 |
0 |
|
|
308446 |
125333117 |
1 |
N4O5H24C28 |
A4B5C24D28 |
-105.06 |
5.38 |
-9.0 |
-1.32 |
0 |
|
|
308447 |
125333120 |
1 |
N4O5H24C28 |
A4B5C24D28 |
-101.89 |
6.42 |
-9.05 |
-1.17 |
0 |
|
|
308448 |
125333123 |
1 |
N3O4C26H29 |
A3B4C26D29 |
-79.75 |
1.02 |
-8.5 |
-0.9 |
0 |
|
|
308449 |
125333129 |
1 |
ClOSN3C17H20 |
ABCD3E17F20 |
18.16 |
3.15 |
-8.86 |
-0.92 |
0 |
|
|
308450 |
125333133 |
2 |
ON2C8H10 |
AB2C8D10 |
-3.37 |
1.51 |
-9.28 |
-0.86 |
0 |
|
|
308451 |
125333144 |
1 |
SN2O3C13H20 |
AB2C3D13E20 |
-131.75 |
3.38 |
-9.21 |
-1.7 |
0 |
|
|
308452 |
125333146 |
2 |
O2N3C9H9 |
A2B3C9D9 |
20.75 |
6.01 |
-9.76 |
-1.59 |
0 |
|
|
308453 |
125333150 |
1 |
SO2N6C17H20 |
AB2C6D17E20 |
1.27 |
2.43 |
-8.42 |
-0.52 |
0 |
|
|
308454 |
125333153 |
1 |
SO2N6C17H20 |
AB2C6D17E20 |
2.55 |
3.55 |
-8.33 |
-0.62 |
0 |
|
|
308455 |
125333154 |
1 |
SN6H12C14 |
AB6C12D14 |
175.51 |
1.61 |
-9.36 |
-1.53 |
0 |
|
|
308456 |
125333158 |
1 |
BrO6H7C24 |
AB6C7D24 |
-126.79 |
0.98 |
-9.87 |
-3.25 |
0 |
|
|
308457 |
125333159 |
1 |
SF2N3O3H19C22 |
AB2C3D3E19F22 |
-94.05 |
5.48 |
-8.87 |
-1.52 |
0 |
|
|
308458 |
125333160 |
1 |
SF2N3O3H19C22 |
AB2C3D3E19F22 |
-94.36 |
4.1 |
-8.95 |
-1.53 |
0 |
|
|
308459 |
125333165 |
1 |
O3N4C21H24 |
A3B4C21D24 |
-13.87 |
6.43 |
-9.24 |
-1.99 |
0 |
|
|
308460 |
125333168 |
1 |
SO2N5C23H31 |
AB2C5D23E31 |
-22.33 |
7.48 |
-8.74 |
-0.88 |
0 |
|
|
308461 |
125333169 |
1 |
SO2N5C23H31 |
AB2C5D23E31 |
-29.57 |
3.78 |
-8.42 |
-0.89 |
0 |
|
|
308462 |
125333170 |
1 |
SO2N5C23H31 |
AB2C5D23E31 |
-21.44 |
5.31 |
-8.8 |
-0.93 |
0 |
|
|
308463 |
125333174 |
1 |
NO4C25H31 |
AB4C25D31 |
-147.56 |
1.79 |
-9.22 |
-0.84 |
0 |
|
|
308464 |
125333175 |
1 |
NO4C25H31 |
AB4C25D31 |
-147.18 |
0.97 |
-9.24 |
-0.81 |
0 |
|
|
308465 |
125333177 |
1 |
OSN6H16C20 |
ABC6D16E20 |
149.74 |
6.87 |
-8.82 |
-1.74 |
0 |
|
|
308466 |
125333178 |
1 |
ClON3C14H16 |
ABC3D14E16 |
12.14 |
1.28 |
-8.85 |
-1.23 |
0 |
|
|
308467 |
125333179 |
3 |
ON2C4H4 |
AB2C4D4 |
-2.85 |
4.62 |
-9.72 |
-2.01 |
0 |
|
|
308468 |
125333180 |
3 |
ON2C4H4 |
AB2C4D4 |
-0.02 |
2.96 |
-9.61 |
-1.96 |
0 |
|
|
308469 |
125333183 |
1 |
ClSN3O3H16C17 |
ABC3D3E16F17 |
-44.85 |
4.5 |
-9.76 |
-2.04 |
0 |
|
|
308470 |
125333184 |
1 |
ClSN3O3H16C17 |
ABC3D3E16F17 |
-44.01 |
4.24 |
-9.74 |
-1.98 |
0 |
|
|
308471 |
125333186 |
1 |
O2N6C15H20 |
A2B6C15D20 |
12.54 |
2.92 |
-8.67 |
-0.72 |
0 |
|
|
308472 |
125333187 |
1 |
O2N6C15H20 |
A2B6C15D20 |
12.53 |
3.24 |
-8.68 |
-0.72 |
0 |
|
|
308473 |
125333190 |
1 |
N3O3H17C18 |
A3B3C17D18 |
-14.74 |
5.48 |
-8.79 |
-1.78 |
0 |
|
|
308474 |
125333191 |
1 |
N3O3H17C18 |
A3B3C17D18 |
-15.51 |
3.74 |
-8.66 |
-1.98 |
0 |
|
|
308475 |
125333192 |
1 |
ON5C6H15 |
AB5C6D15 |
-26.48 |
2.75 |
-8.98 |
0.93 |
0 |
|
|
308476 |
125333194 |
1 |
SN2O3C13H20 |
AB2C3D13E20 |
-131.16 |
5.87 |
-9.2 |
-1.69 |
0 |
|
|
308482 |
125333207 |
1 |
OF2N2H6C11 |
AB2C2D6E11 |
-63.42 |
3.8 |
-10.32 |
-1.93 |
0 |
|
|
308483 |
125333222 |
1 |
FO2N3C18H20 |
AB2C3D18E20 |
-40.36 |
4.49 |
-8.83 |
-1.4 |
0 |
|
|
308487 |
125333234 |
1 |
O2N3C15H19 |
A2B3C15D19 |
-46.55 |
7.08 |
-9.52 |
-0.84 |
0 |
|
|
308488 |
125333237 |
1 |
O3N4C25H26 |
A3B4C25D26 |
-49.25 |
8.97 |
-9.3 |
-1.46 |
0 |
|
|
308489 |
125333239 |
1 |
SN4O5C11H14 |
AB4C5D11E14 |
-114.92 |
5.53 |
-9.51 |
-2.16 |
0 |
|
|
308490 |
125333240 |
1 |
SN4O5C11H14 |
AB4C5D11E14 |
-121.21 |
6.64 |
-9.76 |
-2.24 |
0 |
|
|
308491 |
125333241 |
1 |
SN4O5C11H14 |
AB4C5D11E14 |
-120.31 |
4.53 |
-9.96 |
-2.38 |
0 |
|
|
308492 |
125333246 |
1 |
BrO2N3C25H26 |
AB2C3D25E26 |
-2.94 |
3.03 |
-9.09 |
-1.18 |
0 |
|
|
308496 |
125333254 |
1 |
O2N5H15C16 |
A2B5C15D16 |
46.07 |
7.13 |
-8.97 |
-0.66 |
0 |
|
|
308497 |
125333258 |
1 |
N2O5C17H20 |
A2B5C17D20 |
-114.2 |
2.74 |
-9.12 |
-2.1 |
0 |
|
|
308498 |
125333261 |
4 |
NC3H5 |
AB3C5 |
56.71 |
4.33 |
-8.64 |
0.14 |
0 |
|
|
308499 |
125333262 |
4 |
NC3H5 |
AB3C5 |
53.65 |
2.73 |
-8.72 |
0.16 |
0 |
|
|
308500 |
125333271 |
1 |
O2N6C15H18 |
A2B6C15D18 |
17.05 |
2.78 |
-8.56 |
-0.15 |
0 |
|
|
308501 |
125333272 |
1 |
O2N6C15H18 |
A2B6C15D18 |
19.79 |
2.75 |
-8.66 |
-0.12 |
0 |
|
|
308502 |
125333275 |
1 |
N5O5C14H15 |
A5B5C14D15 |
-95.91 |
4.05 |
-8.31 |
-1.95 |
0 |
|
|
308503 |
125333277 |
2 |
N2O2C9H13 |
A2B2C9D13 |
-150.27 |
6.7 |
-9.55 |
-1.38 |
0 |
|
|
308504 |
125333279 |
1 |
FOSN8H17C19 |
ABCD8E17F19 |
97.09 |
2.16 |
-9.2 |
-1.86 |
0 |
|
|
308505 |
125333284 |
1 |
N5O7C26H35 |
A5B7C26D35 |
-309.7 |
4.73 |
-9.5 |
-0.1 |
0 |
|
|
308506 |
125333298 |
1 |
N3O6C35H43 |
A3B6C35D43 |
-110.14 |
6.13 |
-8.48 |
-0.95 |
0 |
|
|
308507 |
125333299 |
1 |
BrSN3H12C16 |
ABC3D12E16 |
127.76 |
3.71 |
-9.03 |
-1.25 |
0 |
|
|
308508 |
125333300 |
1 |
ON3C14H15 |
AB3C14D15 |
49.62 |
4.54 |
-8.93 |
-0.96 |
0 |
|
|
308509 |
125333302 |
1 |
O3N4C24H24 |
A3B4C24D24 |
-2.62 |
7.34 |
-8.45 |
-1.02 |
0 |
|
|
308510 |
125333303 |
1 |
O3N4C24H24 |
A3B4C24D24 |
-1.61 |
9.08 |
-8.61 |
-1.1 |
0 |
|
|
308511 |
125333304 |
1 |
O3N4C24H24 |
A3B4C24D24 |
-1.44 |
7.33 |
-8.26 |
-0.83 |
0 |
|
|
308512 |
125333325 |
1 |
BrOSF3H6N6C11 |
ABCD3E6F6G11 |
-12.77 |
6.19 |
-10.02 |
-2.34 |
0 |
|
|
308513 |
125333329 |
1 |
SO3N4H18C19 |
AB3C4D18E19 |
-2.18 |
2.27 |
-8.29 |
-2.09 |
0 |
|
|
308514 |
125333331 |
1 |
ON6H20C21 |
AB6C20D21 |
125.55 |
2.47 |
-8.93 |
-1.01 |
0 |
|
|
308516 |
125333345 |
1 |
ClSO2N6C18H21 |
ABC2D6E18F21 |
17.01 |
5.04 |
-8.8 |
-1.44 |
0 |
|
|
308517 |
125333354 |
1 |
NCl2S2O4C23H23 |
AB2C2D4E23F23 |
-104.5 |
6.11 |
-8.82 |
-1.45 |
0 |
|
|
308518 |
125333355 |
1 |
O2N3C17H21 |
A2B3C17D21 |
-19.93 |
4.0 |
-9.46 |
-1.55 |
0 |
|
|
308519 |
125333356 |
1 |
ON4C18H22 |
AB4C18D22 |
39.42 |
4.22 |
-8.49 |
-1.49 |
0 |
|
|
308520 |
125333364 |
1 |
N2O3C22H24 |
A2B3C22D24 |
-47.29 |
4.94 |
-8.51 |
-1.0 |
0 |
|
|
308521 |
125333365 |
1 |
N2O3C22H24 |
A2B3C22D24 |
-46.95 |
3.07 |
-8.46 |
-1.0 |
0 |
|
|
308522 |
125333369 |
1 |
N3O4H21C27 |
A3B4C21D27 |
-42.81 |
8.21 |
-9.37 |
-1.46 |
0 |
|
|
308523 |
125333370 |
1 |
N2O5C25H26 |
A2B5C25D26 |
-117.24 |
3.03 |
-8.49 |
-1.83 |
0 |
|
|
308525 |
125333391 |
1 |
N5O6C28H33 |
A5B6C28D33 |
-132.84 |
5.66 |
-8.57 |
-0.99 |
0 |
|
|
308526 |
125333394 |
1 |
PSN4O8C41H53 |
ABC4D8E41F53 |
-287.61 |
4.06 |
-8.88 |
-0.9 |
0 |
|
|
308527 |
125333396 |
1 |
SO2N4H14C18 |
AB2C4D14E18 |
93.69 |
3.39 |
-8.89 |
-1.47 |
0 |
|
|
308528 |
125333407 |
1 |
O5N6H46C51 |
A5B6C46D51 |
18.33 |
5.26 |
-8.89 |
-0.54 |
0 |
|
|
308529 |
125333408 |
1 |
O5N6H46C51 |
A5B6C46D51 |
15.08 |
6.91 |
-9.08 |
-0.67 |
0 |
|
|
308530 |
125333411 |
1 |
S2N3O3C20H21 |
A2B3C3D20E21 |
-11.47 |
4.39 |
-8.73 |
-1.33 |
0 |
|
|
308531 |
125333413 |
1 |
F2N3O6H19C23 |
A2B3C6D19E23 |
-265.91 |
6.61 |
-9.86 |
-1.12 |
0 |
|
|
308532 |
125333419 |
1 |
OC20H26 |
AB20C26 |
-44.72 |
6.14 |
-9.08 |
-0.34 |
0 |