List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
160250 |
57309596 |
1 |
SN3O3C17H23 |
AB3C3D17E23 |
-24.71 |
7.48 |
-8.43 |
-1.15 |
0 |
|
|
160251 |
57309597 |
1 |
NPO2S2C13H18 |
ABC2D2E13F18 |
-127.74 |
4.34 |
-9.64 |
-0.69 |
0 |
|
|
160252 |
57309598 |
1 |
SO3C21H34 |
AB3C21D34 |
-172.27 |
4.19 |
-9.09 |
0.01 |
0 |
|
|
160253 |
57309599 |
1 |
S2N3O7C23H23 |
A2B3C7D23E23 |
-169.25 |
7.31 |
-8.99 |
-1.04 |
0 |
|
|
160254 |
57309600 |
1 |
ON2C13H18 |
AB2C13D18 |
-47.67 |
2.91 |
-8.14 |
0.41 |
0 |
|
|
160255 |
57309601 |
1 |
N2S3H14C19 |
A2B3C14D19 |
149.8 |
1.89 |
-8.44 |
-1.21 |
0 |
|
|
160257 |
57309603 |
1 |
BrNO4C12H20 |
ABC4D12E20 |
-211.55 |
2.58 |
-10.15 |
-0.23 |
0 |
|
|
160258 |
57309604 |
3 |
NC4H5 |
AB4C5 |
57.76 |
2.31 |
-8.44 |
0.17 |
0 |
|
|
160259 |
57309605 |
1 |
ClNOC9H16 |
ABCD9E16 |
-20.71 |
2.26 |
-9.92 |
0.6 |
0 |
|
|
160260 |
57309606 |
1 |
O2N7C27H33 |
A2B7C27D33 |
16.55 |
9.15 |
-8.72 |
-0.64 |
0 |
|
|
160262 |
57309608 |
1 |
O4C23H36 |
A4B23C36 |
-180.02 |
3.94 |
-8.53 |
0.46 |
0 |
|
|
160264 |
57309610 |
1 |
NO3C15H21 |
AB3C15D21 |
-135.1 |
7.73 |
-9.34 |
-0.17 |
0 |
|
|
160265 |
57309611 |
1 |
O3C40H44 |
A3B40C44 |
-63.0 |
2.71 |
-8.31 |
0.36 |
0 |
|
|
160267 |
57309613 |
1 |
N3O5C17H25 |
A3B5C17D25 |
-190.26 |
6.31 |
-9.18 |
-0.62 |
0 |
|
|
160268 |
57309614 |
1 |
Cl2N5C12H19 |
A2B5C12D19 |
3.89 |
4.76 |
-8.6 |
-0.29 |
0 |
|
|
160270 |
57309616 |
1 |
Br2O2N4C23H32 |
A2B2C4D23E32 |
-72.27 |
2.97 |
-8.15 |
-0.14 |
0 |
|
|
160271 |
57309617 |
1 |
N2F3O3H11C13 |
A2B3C3D11E13 |
-199.55 |
2.49 |
-9.55 |
-1.42 |
0 |
|
|
160272 |
57309618 |
1 |
ON5C20H23 |
AB5C20D23 |
36.87 |
4.84 |
-7.96 |
-0.4 |
0 |
|
|
160273 |
57309619 |
1 |
NO5C26H27 |
AB5C26D27 |
-154.07 |
12.97 |
-9.58 |
-0.87 |
0 |
|
|
160274 |
57309620 |
1 |
ClNO6H16C17 |
ABC6D16E17 |
-227.93 |
5.48 |
-10.43 |
-1.56 |
0 |
|
|
160275 |
57309621 |
1 |
NO4C14H23 |
AB4C14D23 |
-198.05 |
6.61 |
-9.65 |
0.44 |
0 |
|
|
160276 |
57309622 |
1 |
NO3C12H17 |
AB3C12D17 |
-118.56 |
5.47 |
-8.98 |
-0.03 |
0 |
|
|
160279 |
57309625 |
1 |
ON4C10H20 |
AB4C10D20 |
-52.49 |
4.14 |
-9.03 |
0.89 |
0 |
|
|
160282 |
57309629 |
3 |
OC3H6 |
AB3C6 |
-160.93 |
5.42 |
-9.8 |
0.57 |
0 |
|
|
160283 |
57309630 |
2 |
NC16H30 |
AB16C30 |
-92.65 |
2.8 |
-8.79 |
0.35 |
0 |
|
|
160284 |
57309631 |
1 |
O2C25H32 |
A2B25C32 |
-95.12 |
6.08 |
-9.19 |
-0.46 |
0 |
|
|
160285 |
57309632 |
1 |
NOS2C5H7 |
ABC2D5E7 |
0.49 |
3.66 |
-9.41 |
-1.05 |
0 |
|
|
160286 |
57309633 |
1 |
ClOC18H19 |
ABC18D19 |
-15.14 |
2.74 |
-8.39 |
-0.12 |
0 |
|
|
160287 |
57309634 |
1 |
SN2C27H28 |
AB2C27D28 |
82.3 |
3.26 |
-7.85 |
-0.55 |
0 |
|
|
160288 |
57309635 |
2 |
NO2C14H27 |
AB2C14D27 |
-274.58 |
7.33 |
-9.5 |
0.63 |
0 |
|
|
160289 |
57309636 |
1 |
BFON2C28H29 |
ABCD2E28F29 |
38.28 |
2.7 |
0.0 |
0.0 |
0 |
|
|
160290 |
57309637 |
1 |
O4N6C13H18 |
A4B6C13D18 |
-122.67 |
2.87 |
-9.15 |
-0.58 |
0 |
|
|
160291 |
57309638 |
1 |
N4O8C25H34 |
A4B8C25D34 |
-312.3 |
4.95 |
-8.99 |
-1.2 |
0 |
|
|
160293 |
57309640 |
2 |
O3C10H17 |
A3B10C17 |
-295.05 |
4.71 |
-10.09 |
0.51 |
0 |
|
|
160294 |
57309641 |
1 |
SN5O5C14H19 |
AB5C5D14E19 |
-141.87 |
11.16 |
-8.59 |
-0.49 |
0 |
|
|
160295 |
57309642 |
1 |
SN2O5C24H26 |
AB2C5D24E26 |
-154.99 |
2.49 |
-9.63 |
-0.85 |
0 |
|
|
160296 |
57309643 |
1 |
NOC24H33 |
ABC24D33 |
-38.39 |
1.46 |
-8.63 |
-0.18 |
0 |
|
|
160297 |
57309644 |
2 |
NOC3H5 |
ABC3D5 |
-47.46 |
3.09 |
-9.66 |
0.7 |
0 |
|
|
160298 |
57309645 |
1 |
N2O4H26C29 |
A2B4C26D29 |
-91.11 |
4.29 |
-8.21 |
-0.94 |
0 |
|
|
160300 |
57309647 |
1 |
NSC12H25 |
ABC12D25 |
-35.04 |
1.76 |
-8.46 |
0.5 |
0 |
|
|
160302 |
57309649 |
1 |
NO2C16H29 |
AB2C16D29 |
-142.05 |
5.19 |
-9.49 |
0.72 |
0 |
|
|
160303 |
57309650 |
1 |
SN2O8C33H40 |
AB2C8D33E40 |
-265.68 |
6.3 |
-8.56 |
-0.77 |
0 |
|
|
160305 |
57309652 |
2 |
NO2C10H14 |
AB2C10D14 |
-112.82 |
1.89 |
-8.54 |
-0.63 |
0 |
|
|
160306 |
57309653 |
1 |
IOSiC12H23 |
ABCD12E23 |
-101.19 |
2.17 |
-9.54 |
-0.7 |
0 |
|
|
160307 |
57309654 |
1 |
BrNO4H20C21 |
ABC4D20E21 |
-116.96 |
2.85 |
-9.64 |
-0.25 |
0 |
|
|
160308 |
57309655 |
1 |
NO3C25H35 |
AB3C25D35 |
-21.5 |
8.31 |
-9.68 |
-1.06 |
0 |
|
|
160309 |
57309656 |
1 |
SO3N4C27H34 |
AB3C4D27E34 |
-36.73 |
3.82 |
-8.33 |
-0.61 |
0 |
|
|
160311 |
57309658 |
1 |
N4O5C15H28 |
A4B5C15D28 |
-228.76 |
4.87 |
-9.68 |
-0.23 |
0 |
|
|
160312 |
57309659 |
1 |
SO5C12H22 |
AB5C12D22 |
-247.71 |
4.31 |
-9.61 |
-0.29 |
0 |
|
|
160314 |
57309661 |
2 |
NC11H13 |
AB11C13 |
36.26 |
4.06 |
-7.48 |
0.0 |
0 |
|
|
160315 |
57309662 |
2 |
NOSC7H11 |
ABCD7E11 |
-86.88 |
2.3 |
-8.52 |
-0.71 |
0 |
|
|
160316 |
57309663 |
1 |
O7C10H22 |
A7B10C22 |
-338.24 |
3.56 |
-10.28 |
0.74 |
0 |
|
|
160317 |
57309664 |
1 |
N3O7H19C21 |
A3B7C19D21 |
-223.55 |
7.38 |
-9.77 |
-1.82 |
0 |
|
|
160318 |
57309665 |
1 |
ON4C18H20 |
AB4C18D20 |
37.99 |
5.15 |
-8.56 |
-0.95 |
0 |
|
|
160319 |
57309666 |
1 |
SO4N7C15H23 |
AB4C7D15E23 |
-94.14 |
8.9 |
-8.09 |
-0.72 |
0 |
|
|
160320 |
57309667 |
1 |
SN2O3C15H20 |
AB2C3D15E20 |
-116.15 |
5.92 |
-9.15 |
-0.69 |
0 |
|
|
160321 |
57309668 |
1 |
PSN2O7C22H31 |
ABC2D7E22F31 |
-344.94 |
6.18 |
-9.08 |
-1.22 |
0 |
|
|
160322 |
57309669 |
1 |
NO6C24H27 |
AB6C24D27 |
-233.12 |
2.94 |
-9.01 |
-0.12 |
0 |
|
|
160324 |
57309671 |
1 |
N2O3C26H42 |
A2B3C26D42 |
-173.9 |
3.53 |
-9.15 |
0.35 |
0 |
|
|
160325 |
57309672 |
1 |
SN6O7C39H52 |
AB6C7D39E52 |
-268.08 |
4.64 |
-8.88 |
-1.19 |
0 |
|
|
160326 |
57309673 |
1 |
N5O7C39H47 |
A5B7C39D47 |
-267.2 |
7.06 |
-8.77 |
-0.22 |
0 |
|
|
160327 |
57309674 |
2 |
O2C5H6 |
A2B5C6 |
-143.85 |
1.6 |
-9.13 |
-0.23 |
0 |
|
|
160331 |
57309678 |
1 |
SO2N3C18H19 |
AB2C3D18E19 |
8.85 |
2.3 |
-9.31 |
-1.2 |
0 |
|
|
160334 |
57309681 |
1 |
NSCl2O2C10H11 |
ABC2D2E10F11 |
-84.31 |
5.19 |
-9.38 |
-0.61 |
0 |
|
|
160336 |
57309683 |
1 |
NO6C32H47 |
AB6C32D47 |
-236.67 |
7.57 |
-7.94 |
-0.21 |
0 |
|
|
160337 |
57309684 |
1 |
SN2O5C19H28 |
AB2C5D19E28 |
-199.09 |
6.52 |
-8.98 |
0.16 |
0 |
|
|
160338 |
57309685 |
1 |
ClN5O5C18H20 |
AB5C5D18E20 |
-95.49 |
3.66 |
-9.36 |
-1.07 |
0 |
|
|
160339 |
57309686 |
1 |
PN2O3C20H27 |
AB2C3D20E27 |
-172.35 |
1.62 |
-9.05 |
0.13 |
0 |
|
|
160340 |
57309688 |
1 |
N2O3C37H52 |
A2B3C37D52 |
-128.52 |
2.57 |
-9.14 |
-1.54 |
0 |
|
|
160341 |
57309689 |
1 |
ClSO2C16H17 |
ABC2D16E17 |
-64.82 |
6.04 |
-9.61 |
-0.68 |
0 |
|
|
160342 |
57309690 |
1 |
SN4O6C31H46 |
AB4C6D31E46 |
-226.74 |
9.27 |
-8.8 |
-0.56 |
0 |
|
|
160343 |
57309691 |
1 |
ClSC4H5 |
ABC4D5 |
31.65 |
1.01 |
-9.22 |
0.24 |
0 |
|
|
160345 |
57309693 |
1 |
ClNO2H8C9 |
ABC2D8E9 |
-14.02 |
2.66 |
-8.76 |
-0.73 |
0 |
|
|
160346 |
57309694 |
1 |
SO4H24C27 |
AB4C24D27 |
-60.91 |
2.35 |
-8.79 |
-0.14 |
0 |
|
|
160348 |
57309696 |
1 |
ClO2N3H12C13 |
AB2C3D12E13 |
-28.51 |
5.31 |
-9.14 |
-0.48 |
0 |
|
|
160350 |
57309698 |
1 |
ClSN2O4H17C18 |
ABC2D4E17F18 |
-122.79 |
4.5 |
-8.65 |
-1.24 |
0 |
|
|
160351 |
57309699 |
1 |
BrClN2O3H10C16 |
ABC2D3E10F16 |
13.71 |
5.94 |
-9.32 |
-1.79 |
0 |
|
|
160352 |
57309700 |
1 |
BrSN3C17H22 |
ABC3D17E22 |
19.71 |
2.01 |
-8.46 |
-0.25 |
0 |
|
|
160353 |
57309701 |
1 |
ON2H14C15 |
AB2C14D15 |
22.49 |
1.98 |
-8.11 |
-0.22 |
0 |
|
|
160354 |
57309702 |
1 |
INO3C26H44 |
ABC3D26E44 |
-177.47 |
3.62 |
-8.64 |
-0.78 |
0 |
|
|
160355 |
57309703 |
1 |
NO2F4H13C17 |
AB2C4D13E17 |
-143.55 |
5.38 |
-9.66 |
-0.81 |
0 |
|
|
160356 |
57309704 |
2 |
N2O2C11H17 |
A2B2C11D17 |
-150.38 |
5.91 |
-9.42 |
-0.23 |
0 |
|
|
160357 |
57309705 |
1 |
NO6C17H19 |
AB6C17D19 |
-252.69 |
5.34 |
-10.1 |
-1.38 |
0 |
|
|
160358 |
57309706 |
1 |
NSO3C19H21 |
ABC3D19E21 |
-98.73 |
6.22 |
-8.92 |
-0.56 |
0 |
|
|
160359 |
57309707 |
1 |
N4H26C33 |
A4B26C33 |
242.11 |
3.89 |
-9.48 |
-1.2 |
0 |
|
|
160361 |
57309709 |
1 |
O2N3C15H15 |
A2B3C15D15 |
7.48 |
2.54 |
-8.32 |
-0.69 |
0 |
|
|
160366 |
57309714 |
1 |
N2S3O7C10H10 |
A2B3C7D10E10 |
-226.19 |
6.25 |
-9.42 |
-1.45 |
0 |
|
|
160367 |
57309715 |
1 |
N2S2O3C30H36 |
A2B2C3D30E36 |
-61.81 |
7.29 |
-8.16 |
-0.33 |
0 |
|
|
160368 |
57309716 |
1 |
SN2C12H18 |
AB2C12D18 |
14.31 |
3.44 |
-8.91 |
-0.22 |
0 |
|
|
160370 |
57309718 |
2 |
N3C7H11 |
A3B7C11 |
30.71 |
4.06 |
-8.73 |
0.57 |
0 |
|
|
160371 |
57309719 |
4 |
NC2H5 |
AB2C5 |
-8.43 |
2.43 |
-8.71 |
2.44 |
0 |
|
|
160374 |
57309722 |
1 |
SF3O3N6C25H31 |
AB3C3D6E25F31 |
-262.01 |
3.92 |
-8.57 |
-0.9 |
0 |
|
|
160375 |
57309723 |
1 |
N2O5C40H48 |
A2B5C40D48 |
-126.26 |
2.15 |
-8.6 |
-0.15 |
0 |
|
|
160376 |
57309724 |
1 |
SN4O4C26H36 |
AB4C4D26E36 |
-143.63 |
1.51 |
-9.01 |
-0.74 |
0 |
|
|
160378 |
57309726 |
1 |
F3N3C16H18 |
A3B3C16D18 |
-105.5 |
7.71 |
-8.99 |
-0.61 |
0 |
|
|
160379 |
57309727 |
1 |
FSN2O3C19H23 |
ABC2D3E19F23 |
-145.97 |
4.57 |
-8.9 |
-0.54 |
0 |
|
|
160380 |
57309728 |
1 |
S2N3O6H23C28 |
A2B3C6D23E28 |
-122.63 |
3.92 |
-9.34 |
-1.92 |
0 |
|
|
160381 |
57309729 |
1 |
NO5C26H37 |
AB5C26D37 |
-250.03 |
5.77 |
-9.81 |
-0.23 |
0 |
|
|
160383 |
57309731 |
2 |
O2C6H13 |
A2B6C13 |
-205.2 |
2.98 |
-9.9 |
1.22 |
0 |
|
|
160387 |
57309735 |
1 |
SN2O6C11H24 |
AB2C6D11E24 |
-263.51 |
4.29 |
-9.19 |
-0.04 |
0 |