List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
259400 |
103165278 |
1 |
O2N3C16H21 |
A2B3C16D21 |
-12.21 |
2.27 |
-9.21 |
-0.55 |
0 |
|
|
259401 |
103165289 |
1 |
OSN2C15H20 |
ABC2D15E20 |
28.83 |
3.41 |
-9.3 |
-0.86 |
0 |
|
|
259402 |
103165295 |
1 |
SN2O2C16H22 |
AB2C2D16E22 |
-32.9 |
3.11 |
-9.36 |
-0.82 |
0 |
|
|
259403 |
103165317 |
1 |
N2O3C10H12 |
A2B3C10D12 |
-60.82 |
4.41 |
-10.52 |
-1.71 |
0 |
|
|
259404 |
103165320 |
2 |
NO2C6H9 |
AB2C6D9 |
-119.73 |
2.99 |
-9.91 |
-1.13 |
0 |
|
|
259405 |
103165325 |
1 |
BrO3C15H21 |
AB3C15D21 |
-116.54 |
2.89 |
-9.06 |
-0.32 |
0 |
|
|
259406 |
103165348 |
2 |
OC9H9 |
AB9C9 |
-32.64 |
0.96 |
-9.1 |
-0.67 |
0 |
|
|
259407 |
103165376 |
1 |
OC18H28 |
AB18C28 |
-67.58 |
2.48 |
-9.14 |
0.38 |
0 |
|
|
259408 |
103165381 |
1 |
O2C17H26 |
A2B17C26 |
-96.13 |
1.29 |
-9.16 |
0.37 |
0 |
|
|
259409 |
103165382 |
1 |
OC15H22 |
AB15C22 |
-49.52 |
2.27 |
-9.26 |
0.28 |
0 |
|
|
259410 |
103165437 |
2 |
OC7H12 |
AB7C12 |
-105.11 |
2.26 |
-9.51 |
1.08 |
0 |
|
|
259411 |
103165488 |
1 |
ClO2C18H21 |
AB2C18D21 |
-68.49 |
1.69 |
-9.02 |
-0.84 |
0 |
|
|
259412 |
103165510 |
1 |
Br2O2C15H20 |
A2B2C15D20 |
-82.58 |
1.62 |
-9.58 |
-0.59 |
0 |
|
|
259413 |
103165545 |
1 |
ClSO2C13H19 |
ABC2D13E19 |
-85.06 |
1.95 |
-9.18 |
-0.52 |
0 |
|
|
259414 |
103165561 |
1 |
ClC16H23 |
AB16C23 |
-24.51 |
2.67 |
-9.26 |
0.11 |
0 |
|
|
259415 |
103165562 |
1 |
ClOC18H27 |
ABC18D27 |
-69.78 |
2.08 |
-9.24 |
0.07 |
0 |
|
|
259416 |
103165565 |
1 |
ClSC12H17 |
ABC12D17 |
-9.82 |
2.55 |
-9.2 |
-0.22 |
0 |
|
|
259417 |
103165583 |
1 |
ClOC14H19 |
ABC14D19 |
-47.08 |
3.78 |
-8.85 |
0.13 |
0 |
|
|
259418 |
103165585 |
1 |
ClO2C14H19 |
AB2C14D19 |
-77.71 |
4.52 |
-8.43 |
-0.17 |
0 |
|
|
259419 |
103165591 |
1 |
ClBr2C12H13 |
AB2C12D13 |
6.0 |
2.15 |
-9.8 |
-0.79 |
0 |
|
|
259420 |
103165594 |
1 |
ClO2C17H25 |
AB2C17D25 |
-94.78 |
1.33 |
-9.42 |
-0.07 |
0 |
|
|
259421 |
103165598 |
1 |
ClC14H19 |
AB14C19 |
-17.73 |
2.91 |
-9.16 |
0.21 |
0 |
|
|
259422 |
103165609 |
1 |
ClO2C14H17 |
AB2C14D17 |
-72.32 |
3.31 |
-8.74 |
-0.15 |
0 |
|
|
259423 |
103165638 |
1 |
ClC18H25 |
AB18C25 |
-23.3 |
2.71 |
-9.22 |
0.1 |
0 |
|
|
259424 |
103165643 |
1 |
ClNO2C17H22 |
ABC2D17E22 |
-87.35 |
2.62 |
-8.78 |
-0.35 |
0 |
|
|
259425 |
103165644 |
1 |
ClSC12H17 |
ABC12D17 |
-14.8 |
2.19 |
-9.0 |
-0.04 |
0 |
|
|
259426 |
103165645 |
1 |
ClOSC14H21 |
ABCD14E21 |
-60.37 |
1.39 |
-9.06 |
-0.08 |
0 |
|
|
259427 |
103165646 |
1 |
SCl2C10H12 |
AB2C10D12 |
3.97 |
2.0 |
-9.47 |
-0.74 |
0 |
|
|
259428 |
103165674 |
1 |
ClNOC16H20 |
ABCD16E20 |
-52.37 |
3.61 |
-8.91 |
-0.36 |
0 |
|
|
259429 |
103165705 |
1 |
OBr2C13H16 |
AB2C13D16 |
-25.85 |
3.95 |
-9.08 |
-0.65 |
0 |
|
|
259430 |
103165708 |
1 |
ClOBr2C13H15 |
ABC2D13E15 |
-28.86 |
3.78 |
-9.21 |
-0.76 |
0 |
|
|
259431 |
103165712 |
1 |
BrC16H23 |
AB16C23 |
-13.08 |
2.65 |
-9.2 |
-0.32 |
0 |
|
|
259432 |
103165713 |
1 |
BrOC18H27 |
ABC18D27 |
-58.29 |
2.54 |
-9.15 |
-0.38 |
0 |
|
|
259433 |
103165719 |
1 |
BrClOC13H16 |
ABCD13E16 |
-35.26 |
2.12 |
-8.97 |
-0.53 |
0 |
|
|
259434 |
103165721 |
2 |
BrC6H7 |
AB6C7 |
14.86 |
2.45 |
-9.54 |
-0.81 |
0 |
|
|
259435 |
103165722 |
1 |
OBr2C14H18 |
AB2C14D18 |
-32.68 |
3.17 |
-9.56 |
-0.77 |
0 |
|
|
259436 |
103165728 |
1 |
BrClOC14H18 |
ABCD14E18 |
-42.92 |
2.98 |
-9.5 |
-0.7 |
0 |
|
|
259437 |
103165731 |
1 |
BrOC13H17 |
ABC13D17 |
-28.77 |
3.5 |
-8.87 |
-0.31 |
0 |
|
|
259438 |
103165750 |
1 |
BrOC14H19 |
ABC14D19 |
-38.46 |
3.97 |
-8.79 |
-0.22 |
0 |
|
|
259439 |
103165751 |
1 |
BrF2C12H13 |
AB2C12D13 |
-80.65 |
2.13 |
-9.91 |
-0.93 |
0 |
|
|
259440 |
103165753 |
1 |
BrC16H23 |
AB16C23 |
-10.07 |
2.59 |
-9.17 |
-0.36 |
0 |
|
|
259441 |
103165760 |
1 |
BrSC10H13 |
ABC10D13 |
18.05 |
2.14 |
-9.25 |
-0.75 |
0 |
|
|
259442 |
103165765 |
1 |
BrO3C16H23 |
AB3C16D23 |
-116.35 |
5.07 |
-8.72 |
-0.2 |
0 |
|
|
259443 |
103165766 |
1 |
BrO2C16H23 |
AB2C16D23 |
-75.85 |
2.33 |
-8.29 |
-0.27 |
0 |
|
|
259444 |
103165769 |
1 |
BrNO2C17H22 |
ABC2D17E22 |
-88.51 |
4.06 |
-8.9 |
-0.68 |
0 |
|
|
259445 |
103165775 |
1 |
BrC15H21 |
AB15C21 |
-10.73 |
2.48 |
-9.08 |
-0.03 |
0 |
|
|
259446 |
103165830 |
1 |
OBr2C14H18 |
AB2C14D18 |
-32.46 |
3.37 |
-8.99 |
-0.59 |
0 |
|
|
259447 |
103165831 |
2 |
BrOC8H11 |
ABC8D11 |
-75.16 |
2.66 |
-8.96 |
-0.52 |
0 |
|
|
259448 |
103165858 |
1 |
ClNO2C15H18 |
ABC2D15E18 |
-76.31 |
3.28 |
-9.19 |
-0.65 |
0 |
|
|
259449 |
103165864 |
1 |
ClO2C17H25 |
AB2C17D25 |
-99.7 |
2.63 |
-8.65 |
-0.04 |
0 |