List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
256450 |
103139291 |
1 |
NO2C12H21 |
AB2C12D21 |
-99.53 |
2.49 |
-9.06 |
0.46 |
0 |
|
|
256451 |
103139293 |
1 |
SN3C15H19 |
AB3C15D19 |
35.71 |
4.32 |
-8.29 |
-0.66 |
0 |
|
|
256452 |
103139295 |
1 |
NO2C12H21 |
AB2C12D21 |
-99.83 |
3.48 |
-8.98 |
0.35 |
0 |
|
|
256453 |
103139305 |
1 |
N2O2C13H20 |
A2B2C13D20 |
-83.23 |
3.85 |
-9.47 |
0.17 |
0 |
|
|
256454 |
103139323 |
1 |
ON3C16H21 |
AB3C16D21 |
-6.67 |
2.28 |
-8.4 |
-0.77 |
0 |
|
|
256455 |
103139324 |
1 |
NOF3H10C16 |
ABC3D10E16 |
-105.48 |
4.09 |
-9.58 |
-1.16 |
0 |
|
|
256456 |
103139326 |
1 |
NO2H17C18 |
AB2C17D18 |
-19.69 |
1.96 |
-8.83 |
-0.76 |
0 |
|
|
256457 |
103139335 |
1 |
NOH15C17 |
ABC15D17 |
19.42 |
3.43 |
-9.23 |
-0.82 |
0 |
|
|
256458 |
103139342 |
1 |
ON3C12H21 |
AB3C12D21 |
-29.99 |
3.17 |
-9.17 |
0.65 |
0 |
|
|
256459 |
103139345 |
2 |
N2C8H11 |
A2B8C11 |
42.4 |
2.73 |
-8.04 |
-0.53 |
0 |
|
|
256460 |
103139351 |
1 |
ClNOH12C16 |
ABCD12E16 |
21.46 |
3.11 |
-9.4 |
-1.01 |
0 |
|
|
256461 |
103139352 |
1 |
N3C17H23 |
A3B17C23 |
23.92 |
3.27 |
-8.03 |
-0.49 |
0 |
|
|
256462 |
103139384 |
1 |
ON3C15H21 |
AB3C15D21 |
-15.18 |
3.97 |
-7.65 |
-0.42 |
0 |
|
|
256463 |
103139388 |
1 |
O2N3C16H21 |
A2B3C16D21 |
-41.89 |
5.43 |
-8.18 |
-0.78 |
0 |
|
|
256464 |
103139393 |
1 |
NOC17H21 |
ABC17D21 |
-21.95 |
3.54 |
-9.17 |
-0.79 |
0 |
|
|
256465 |
103139398 |
1 |
ON3C14H25 |
AB3C14D25 |
-35.66 |
2.17 |
-8.75 |
0.8 |
0 |
|
|
256466 |
103139403 |
1 |
ON4C9H16 |
AB4C9D16 |
-9.2 |
3.03 |
-9.79 |
0.36 |
0 |
|
|
256467 |
103139411 |
1 |
ON2C18H18 |
AB2C18D18 |
28.42 |
4.93 |
-8.38 |
-0.76 |
0 |
|
|
256468 |
103139416 |
1 |
ON3C16H17 |
AB3C16D17 |
33.62 |
3.64 |
-9.38 |
-0.94 |
0 |
|
|
256469 |
103139418 |
1 |
NOSC16H19 |
ABCD16E19 |
-15.09 |
3.04 |
-8.54 |
-1.05 |
0 |
|
|
256470 |
103139419 |
1 |
ON3C15H19 |
AB3C15D19 |
-7.06 |
4.22 |
-8.05 |
-0.64 |
0 |
|
|
256471 |
103139429 |
1 |
NO2H15C17 |
AB2C15D17 |
-11.89 |
5.68 |
-9.14 |
-0.74 |
0 |
|
|
256472 |
103139436 |
1 |
ON3C16H29 |
AB3C16D29 |
-53.75 |
4.3 |
-8.76 |
1.03 |
0 |
|
|
256473 |
103139455 |
1 |
NOSH17C18 |
ABCD17E18 |
13.61 |
5.24 |
-8.99 |
-0.81 |
0 |
|
|
256474 |
103139471 |
1 |
NSO2H13C15 |
ABC2D13E15 |
-3.21 |
4.14 |
-8.7 |
-1.0 |
0 |
|
|
256475 |
103139475 |
2 |
NOC6H10 |
ABC6D10 |
-78.6 |
3.08 |
-9.5 |
0.47 |
0 |
|
|
256476 |
103139486 |
1 |
BrNOH14C17 |
ABCD14E17 |
21.07 |
3.53 |
-9.37 |
-0.93 |
0 |
|
|
256477 |
103139491 |
1 |
ClNO2H14C17 |
ABC2D14E17 |
-19.03 |
3.11 |
-9.1 |
-1.02 |
0 |
|
|
256478 |
103139492 |
1 |
ClON2C13H21 |
ABC2D13E21 |
-61.3 |
2.8 |
-9.11 |
0.49 |
0 |
|
|
256479 |
103139495 |
1 |
ClON2C14H23 |
ABC2D14E23 |
-66.39 |
2.19 |
-9.14 |
0.52 |
0 |
|
|
256480 |
103139508 |
1 |
ClON2C15H25 |
ABC2D15E25 |
-68.41 |
1.73 |
-9.17 |
0.48 |
0 |
|
|
256481 |
103139515 |
1 |
ON3C17H17 |
AB3C17D17 |
38.8 |
6.13 |
-9.52 |
-1.13 |
0 |
|
|
256482 |
103139532 |
1 |
NOC18H23 |
ABC18D23 |
-30.87 |
2.95 |
-9.23 |
-0.83 |
0 |
|
|
256483 |
103139535 |
1 |
N4C15H16 |
A4B15C16 |
70.78 |
7.12 |
-8.7 |
-1.08 |
0 |
|
|
256484 |
103139541 |
1 |
IN4H9C12 |
AB4C9D12 |
117.11 |
5.93 |
-8.7 |
-1.12 |
0 |
|
|
256485 |
103139554 |
1 |
N5C15H17 |
A5B15C17 |
81.56 |
6.23 |
-8.64 |
-1.0 |
0 |
|
|
256486 |
103139562 |
1 |
ON2C11H14 |
AB2C11D14 |
-0.94 |
5.52 |
-9.14 |
0.19 |
0 |
|
|
256487 |
103139570 |
2 |
N2H5C7 |
A2B5C7 |
113.77 |
5.07 |
-8.81 |
-1.2 |
0 |
|
|
256488 |
103139572 |
2 |
NOC8H10 |
ABC8D10 |
-67.94 |
1.25 |
-8.83 |
-0.74 |
0 |
|
|
256489 |
103139577 |
1 |
ON2C15H18 |
AB2C15D18 |
-10.48 |
3.75 |
-8.03 |
-0.48 |
0 |
|
|
256490 |
103139580 |
1 |
ON2H14C16 |
AB2C14D16 |
35.76 |
3.87 |
-8.13 |
-0.57 |
0 |
|
|
256491 |
103139584 |
1 |
NSO3C13H15 |
ABC3D13E15 |
-94.01 |
1.58 |
-9.38 |
-0.98 |
0 |
|
|
256492 |
103139585 |
2 |
NOH6C7 |
ABC6D7 |
7.24 |
3.32 |
-8.2 |
-0.61 |
0 |
|
|
256493 |
103139587 |
1 |
NOF2H11C16 |
ABC2D11E16 |
-64.0 |
2.75 |
-9.31 |
-0.9 |
0 |
|
|
256494 |
103139592 |
1 |
OSN3C10H15 |
ABC3D10E15 |
-12.57 |
3.36 |
-8.8 |
-0.72 |
0 |
|
|
256495 |
103139594 |
1 |
NO2C14H17 |
AB2C14D17 |
-51.99 |
2.32 |
-9.32 |
-0.91 |
0 |
|
|
256496 |
103139600 |
1 |
NOSH15C18 |
ABCD15E18 |
28.75 |
4.28 |
-8.62 |
-0.85 |
0 |
|
|
256497 |
103139606 |
1 |
O2N3C11H17 |
A2B3C11D17 |
-32.38 |
3.44 |
-8.62 |
0.12 |
0 |
|
|
256498 |
103139608 |
1 |
ClON2H15C17 |
ABC2D15E17 |
17.55 |
4.66 |
-8.4 |
-0.86 |
0 |
|
|
256499 |
103139609 |
1 |
BrFON2H10C15 |
ABCD2E10F15 |
1.05 |
5.94 |
-8.71 |
-1.02 |
0 |