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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
364391 |
127315568 |
1 |
ClSN3O3C18H24 |
ABC3D3E18F24 |
-95.73 |
3.45 |
-8.76 |
-0.86 |
0 |
|
|
364392 |
127315569 |
1 |
ON4C18H26 |
AB4C18D26 |
-3.99 |
5.01 |
-8.85 |
-0.72 |
0 |
|
|
364393 |
127315570 |
1 |
SN3O4C18H31 |
AB3C4D18E31 |
-185.83 |
10.36 |
-9.2 |
0.58 |
0 |
|
|
364394 |
127315571 |
1 |
O2N5C19H25 |
A2B5C19D25 |
-33.42 |
5.03 |
-9.19 |
-0.6 |
0 |
|
|
364395 |
127315572 |
1 |
N3O3C20H35 |
A3B3C20D35 |
-159.57 |
1.23 |
-9.04 |
0.72 |
0 |
|
|
364396 |
127315573 |
1 |
ON6C16H24 |
AB6C16D24 |
27.21 |
7.04 |
-8.64 |
-1.24 |
0 |
|
|
364397 |
127315574 |
1 |
O3N4C19H26 |
A3B4C19D26 |
-96.99 |
3.65 |
-8.4 |
-1.68 |
0 |
|
|
364398 |
127315575 |
1 |
ON4C23H34 |
AB4C23D34 |
-37.64 |
5.24 |
-8.17 |
-0.05 |
0 |
|
|
364399 |
127315576 |
1 |
O3N7C18H29 |
A3B7C18D29 |
-98.19 |
4.04 |
-8.03 |
-0.77 |
0 |
|
|
364400 |
127315577 |
1 |
O2N4C21H38 |
A2B4C21D38 |
-124.27 |
3.2 |
-8.43 |
1.12 |
0 |
|
|
364401 |
127315578 |
1 |
ON6C18H30 |
AB6C18D30 |
-4.93 |
5.28 |
-8.2 |
-0.52 |
0 |
|
|
364402 |
127315579 |
1 |
N3O3C19H29 |
A3B3C19D29 |
-117.3 |
6.44 |
-8.12 |
-0.54 |
0 |
|
|
364403 |
127315580 |
1 |
ON5C20H31 |
AB5C20D31 |
-5.13 |
4.85 |
-8.3 |
-0.07 |
0 |
|
|
364404 |
127315643 |
1 |
OSN3C13H21 |
ABC3D13E21 |
-29.98 |
4.96 |
-8.9 |
-0.41 |
0 |
|
|
364405 |
127315644 |
1 |
OSN2C14H22 |
ABC2D14E22 |
-34.5 |
5.11 |
-8.66 |
-0.27 |
0 |
|
|
364406 |
127315645 |
1 |
ON2C16H24 |
AB2C16D24 |
-38.68 |
5.21 |
-8.77 |
0.27 |
0 |
|
|
364407 |
127315646 |
1 |
O2N3C13H23 |
A2B3C13D23 |
-98.09 |
3.29 |
-8.88 |
0.77 |
0 |
|
|
364408 |
127315647 |
1 |
ON3C13H19 |
AB3C13D19 |
-10.95 |
5.76 |
-9.02 |
-0.35 |
0 |
|
|
364409 |
127315648 |
1 |
O2N3C12H23 |
A2B3C12D23 |
-108.58 |
1.29 |
-8.81 |
0.98 |
0 |
|
|
364410 |
127315649 |
1 |
ON3C15H25 |
AB3C15D25 |
-44.76 |
4.77 |
-8.31 |
0.83 |
0 |
|
|
364411 |
127315650 |
1 |
O2N3C12H19 |
A2B3C12D19 |
-28.74 |
4.05 |
-8.8 |
-0.14 |
0 |
|
|
364412 |
127315651 |
1 |
N2O2C17H24 |
A2B2C17D24 |
-67.21 |
6.39 |
-8.49 |
0.51 |
0 |
|
|
364413 |
127315652 |
1 |
SO2N3C14H25 |
AB2C3D14E25 |
-96.29 |
1.82 |
-8.82 |
0.05 |
0 |
|
|
364414 |
127315653 |
1 |
FON2C15H21 |
ABC2D15E21 |
-77.18 |
5.93 |
-8.86 |
-0.16 |
0 |
|
|
364415 |
127315654 |
1 |
ON4C12H20 |
AB4C12D20 |
-9.33 |
5.28 |
-8.6 |
0.4 |
0 |
|
|
364416 |
127315655 |
1 |
ON4C13H22 |
AB4C13D22 |
-9.85 |
6.03 |
-8.52 |
0.51 |
0 |
|
|
364417 |
127315656 |
1 |
ON3C13H25 |
AB3C13D25 |
-47.58 |
3.72 |
-8.66 |
1.22 |
0 |
|
|
364418 |
127315657 |
1 |
O2N3C16H21 |
A2B3C16D21 |
-28.36 |
6.16 |
-8.87 |
-0.8 |
0 |
|
|
364419 |
127315658 |
2 |
NOC8H11 |
ABC8D11 |
-59.39 |
5.2 |
-8.88 |
-0.17 |
0 |
|
|
364420 |
127315659 |
1 |
ON4C16H28 |
AB4C16D28 |
-29.27 |
5.3 |
-9.04 |
0.51 |
0 |
|
|
364421 |
127315660 |
1 |
O2N3C15H23 |
A2B3C15D23 |
-35.69 |
3.98 |
-8.59 |
0.1 |
0 |
|
|
364422 |
127315661 |
1 |
ON4C12H20 |
AB4C12D20 |
-13.57 |
4.04 |
-8.68 |
0.38 |
0 |
|
|
364423 |
127315662 |
1 |
O2N3C14H21 |
A2B3C14D21 |
-67.95 |
5.87 |
-9.02 |
-0.39 |
0 |
|
|
364424 |
127315676 |
1 |
O2N3C14H21 |
A2B3C14D21 |
-51.81 |
7.01 |
-8.82 |
-0.54 |
0 |
|
|
364425 |
127315677 |
1 |
ON2C15H28 |
AB2C15D28 |
-71.63 |
4.41 |
-8.68 |
1.38 |
0 |
|
|
364426 |
127315678 |
1 |
ON2C14H26 |
AB2C14D26 |
-62.2 |
4.15 |
-8.55 |
1.35 |
0 |
|
|
364427 |
127315679 |
1 |
O2N3C16H29 |
A2B3C16D29 |
-111.15 |
5.18 |
-8.72 |
0.85 |
0 |
|
|
364428 |
127315680 |
1 |
ON4C16H28 |
AB4C16D28 |
-30.62 |
5.79 |
-8.51 |
1.03 |
0 |
|
|
364429 |
127315681 |
1 |
OSN3C13H17 |
ABC3D13E17 |
17.71 |
6.03 |
-8.99 |
-1.02 |
0 |
|
|
364430 |
127315682 |
1 |
O2N3C16H29 |
A2B3C16D29 |
-111.66 |
2.22 |
-8.72 |
0.96 |
0 |
|
|
364431 |
127315683 |
1 |
O2N3C12H23 |
A2B3C12D23 |
-100.74 |
0.97 |
-8.84 |
0.92 |
0 |
|
|
364432 |
127315684 |
1 |
O2N3C14H25 |
A2B3C14D25 |
-102.28 |
2.28 |
-8.8 |
1.01 |
0 |
|
|
364433 |
127315685 |
1 |
O2N4C13H24 |
A2B4C13D24 |
-93.01 |
2.02 |
-8.62 |
0.75 |
0 |
|
|
364434 |
127315686 |
1 |
O2N3C14H21 |
A2B3C14D21 |
-66.19 |
5.41 |
-8.9 |
-0.41 |
0 |
|
|
364435 |
127315687 |
1 |
ClN2O2C12H17 |
AB2C2D12E17 |
-53.48 |
4.24 |
-8.81 |
-0.39 |
0 |
|
|
364436 |
127315688 |
1 |
ON4C13H22 |
AB4C13D22 |
-18.21 |
2.46 |
-8.51 |
0.35 |
0 |
|
|
364437 |
127315689 |
1 |
ON3C14H23 |
AB3C14D23 |
-30.95 |
4.16 |
-8.54 |
0.62 |
0 |
|
|
364438 |
127315690 |
1 |
ON2C14H26 |
AB2C14D26 |
-68.74 |
4.35 |
-8.59 |
1.32 |
0 |
|
|
364439 |
127315691 |
1 |
N2O2C17H24 |
A2B2C17D24 |
-69.08 |
4.77 |
-8.63 |
0.4 |
0 |
|
|
364440 |
127315692 |
1 |
ClON3C12H18 |
ABC3D12E18 |
-28.19 |
3.68 |
-8.84 |
0.03 |
0 |
|
|
364441 |
127315693 |
1 |
ClON3C13H18 |
ABC3D13E18 |
-18.26 |
5.6 |
-9.06 |
-0.6 |
0 |
|
|
364442 |
127315694 |
1 |
OSN2C12H18 |
ABC2D12E18 |
-13.74 |
5.12 |
-8.83 |
-0.3 |
0 |
|
|
364443 |
127315695 |
1 |
O2N3C15H27 |
A2B3C15D27 |
-106.45 |
8.84 |
-8.89 |
1.01 |
0 |
|
|
364444 |
127315696 |
1 |
ClON2C14H19 |
ABC2D14E19 |
-29.67 |
5.78 |
-8.96 |
-0.21 |
0 |
|
|
364445 |
127315697 |
1 |
ON2C15H22 |
AB2C15D22 |
-30.97 |
5.45 |
-8.8 |
0.25 |
0 |
|
|
364446 |
127315698 |
1 |
ON2C15H22 |
AB2C15D22 |
-23.32 |
3.44 |
-8.63 |
-0.1 |
0 |
|
|
364447 |
127315699 |
1 |
OSN2C13H20 |
ABC2D13E20 |
-26.15 |
5.23 |
-8.83 |
-0.2 |
0 |
|
|
364448 |
127315700 |
1 |
ON2C15H28 |
AB2C15D28 |
-75.66 |
4.31 |
-8.6 |
1.4 |
0 |
|
|
364449 |
127315701 |
1 |
ON3C15H25 |
AB3C15D25 |
-31.42 |
5.69 |
-8.86 |
0.89 |
0 |
|
|
364450 |
127315702 |
1 |
O2N3C16H29 |
A2B3C16D29 |
-113.53 |
1.83 |
-8.67 |
0.95 |
0 |
|
|
364451 |
127315703 |
1 |
ON2C18H26 |
AB2C18D26 |
-36.51 |
5.11 |
-8.82 |
0.7 |
0 |
|
|
364452 |
127315704 |
1 |
OF2N2C14H18 |
AB2C2D14E18 |
-116.43 |
5.55 |
-9.06 |
-0.52 |
0 |
|
|
364453 |
127315705 |
1 |
ON3C18H25 |
AB3C18D25 |
-22.27 |
5.33 |
-8.25 |
0.12 |
0 |
|
|
364454 |
127315706 |
1 |
ClFON2C14H18 |
ABCD2E14F18 |
-70.03 |
4.16 |
-8.85 |
-0.74 |
0 |
|
|
364455 |
127315707 |
1 |
N2O2C13H20 |
A2B2C13D20 |
-63.47 |
4.47 |
-8.69 |
0.35 |
0 |
|
|
364456 |
127315708 |
1 |
SO2N3C12H21 |
AB2C3D12E21 |
-85.87 |
3.56 |
-9.0 |
-0.21 |
0 |
|
|
364457 |
127315709 |
1 |
ClON2C14H19 |
ABC2D14E19 |
-30.71 |
5.51 |
-8.95 |
-0.29 |
0 |
|
|
364458 |
127315710 |
1 |
OSN3C12H19 |
ABC3D12E19 |
-17.72 |
3.96 |
-8.8 |
-0.69 |
0 |
|
|
364459 |
127315711 |
1 |
ON2C17H24 |
AB2C17D24 |
-32.71 |
5.31 |
-8.71 |
0.23 |
0 |
|
|
364460 |
127315712 |
1 |
ON2C17H24 |
AB2C17D24 |
-28.76 |
4.56 |
-8.77 |
0.64 |
0 |
|
|
364461 |
127315713 |
1 |
ON3C14H21 |
AB3C14D21 |
-22.06 |
5.63 |
-9.01 |
-0.18 |
0 |
|
|
364462 |
127315714 |
1 |
O2N3C14H21 |
A2B3C14D21 |
-67.76 |
7.37 |
-8.6 |
-0.54 |
0 |
|
|
364463 |
127315715 |
1 |
O2N3C12H21 |
A2B3C12D21 |
-91.7 |
8.76 |
-8.93 |
0.85 |
0 |
|
|
364464 |
127315716 |
1 |
O2N3C13H23 |
A2B3C13D23 |
-89.2 |
4.7 |
-8.84 |
0.85 |
0 |
|
|
364465 |
127315717 |
1 |
OSN2C11H22 |
ABC2D11E22 |
-56.3 |
5.97 |
-8.5 |
0.52 |
0 |
|
|
364466 |
127315718 |
1 |
ClON3C13H20 |
ABC3D13E20 |
-29.93 |
5.18 |
-8.86 |
0.3 |
0 |
|
|
364467 |
127315719 |
2 |
NOC7H11 |
ABC7D11 |
-73.94 |
4.79 |
-8.65 |
0.52 |
0 |
|
|
364468 |
127315720 |
1 |
ON2C14H24 |
AB2C14D24 |
-44.5 |
4.76 |
-8.84 |
1.33 |
0 |
|
|
364469 |
127315721 |
1 |
FON2C15H21 |
ABC2D15E21 |
-77.56 |
5.38 |
-8.88 |
-0.13 |
0 |
|
|
364470 |
127315722 |
1 |
OSN2C15H22 |
ABC2D15E22 |
-20.89 |
5.04 |
-8.66 |
-0.33 |
0 |
|
|
364471 |
127315723 |
1 |
FON2C14H19 |
ABC2D14E19 |
-69.28 |
5.37 |
-8.98 |
-0.15 |
0 |
|
|
364472 |
127315724 |
1 |
ClOSN2C12H17 |
ABCD2E12F17 |
-17.62 |
5.26 |
-8.82 |
-0.74 |
0 |
|
|
364473 |
127315725 |
1 |
ON2C14H20 |
AB2C14D20 |
-20.71 |
5.26 |
-8.85 |
0.11 |
0 |
|
|
364474 |
127315726 |
1 |
ON3C13H19 |
AB3C13D19 |
-8.77 |
5.91 |
-8.92 |
-0.29 |
0 |
|
|
364475 |
127315727 |
1 |
O2N3C15H27 |
A2B3C15D27 |
-106.04 |
0.99 |
-8.8 |
0.97 |
0 |
|
|
364476 |
127315728 |
1 |
ON2C17H24 |
AB2C17D24 |
-37.89 |
3.34 |
-8.64 |
0.07 |
0 |
|
|
364477 |
127315729 |
1 |
ON2C15H26 |
AB2C15D26 |
-56.7 |
4.33 |
-8.66 |
1.24 |
0 |
|
|
364478 |
127315730 |
1 |
ON4C16H28 |
AB4C16D28 |
-30.58 |
6.27 |
-8.45 |
0.58 |
0 |
|
|
364479 |
127315731 |
1 |
O2N3C16H29 |
A2B3C16D29 |
-114.16 |
8.25 |
-8.86 |
0.88 |
0 |
|
|
364480 |
127315732 |
1 |
ON3C13H21 |
AB3C13D21 |
-21.52 |
4.83 |
-8.79 |
0.64 |
0 |
|
|
364481 |
127315733 |
1 |
ON2C16H24 |
AB2C16D24 |
-39.31 |
5.39 |
-8.74 |
0.28 |
0 |
|
|
364482 |
127315734 |
1 |
ON4C16H22 |
AB4C16D22 |
0.31 |
4.44 |
-8.47 |
-0.76 |
0 |
|
|
364483 |
127315735 |
1 |
ON4C14H24 |
AB4C14D24 |
-28.47 |
4.93 |
-8.54 |
0.69 |
0 |
|
|
364484 |
127315736 |
2 |
NOC8H11 |
ABC8D11 |
-58.83 |
4.11 |
-8.73 |
0.28 |
0 |
|
|
364485 |
127315737 |
1 |
OSN2C16H24 |
ABC2D16E24 |
-35.48 |
5.23 |
-8.63 |
-0.24 |
0 |
|
|
364486 |
127315738 |
1 |
OF2N2C14H18 |
AB2C2D14E18 |
-112.77 |
5.96 |
-9.09 |
-0.48 |
0 |
|
|
364487 |
127315739 |
1 |
ON2C14H24 |
AB2C14D24 |
-43.16 |
4.18 |
-8.6 |
1.27 |
0 |
|
|
364488 |
127315740 |
1 |
ON2C16H24 |
AB2C16D24 |
-34.72 |
4.27 |
-8.65 |
0.0 |
0 |
|
|
364489 |
127315741 |
1 |
OSN2C12H18 |
ABC2D12E18 |
-14.72 |
4.94 |
-8.74 |
-0.38 |
0 |
|
|
364490 |
127315742 |
1 |
OF2N2C14H18 |
AB2C2D14E18 |
-109.09 |
5.63 |
-8.84 |
-0.64 |
0 |