List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
351585 |
127280477 |
1 |
O3N4C20H26 |
A3B4C20D26 |
-115.97 |
5.31 |
-9.17 |
-0.55 |
0 |
|
|
351586 |
127280478 |
1 |
O3N5C21H27 |
A3B5C21D27 |
-92.21 |
6.18 |
-9.29 |
-0.86 |
0 |
|
|
351587 |
127280479 |
1 |
SO2N4C21H26 |
AB2C4D21E26 |
-34.1 |
6.44 |
-9.19 |
-1.07 |
0 |
|
|
351588 |
127280480 |
1 |
O3N4C21H28 |
A3B4C21D28 |
-112.45 |
9.46 |
-8.84 |
-0.27 |
0 |
|
|
351589 |
127280481 |
1 |
O3N5C21H27 |
A3B5C21D27 |
-68.86 |
3.38 |
-8.95 |
-0.77 |
0 |
|
|
351590 |
127280482 |
1 |
O3N6C20H26 |
A3B6C20D26 |
-61.82 |
8.02 |
-9.23 |
-1.27 |
0 |
|
|
351591 |
127280483 |
3 |
NOC7H9 |
ABC7D9 |
-91.93 |
6.17 |
-9.03 |
-0.28 |
0 |
|
|
351592 |
127280484 |
1 |
SO3N5C17H23 |
AB3C5D17E23 |
-95.5 |
8.99 |
-9.05 |
-1.29 |
0 |
|
|
351593 |
127280485 |
1 |
O4N5C19H25 |
A4B5C19D25 |
-120.86 |
1.87 |
-9.02 |
-0.97 |
0 |
|
|
351594 |
127280486 |
1 |
O3N5C21H29 |
A3B5C21D29 |
-107.91 |
10.39 |
-9.37 |
-0.96 |
0 |
|
|
351595 |
127280487 |
1 |
ClN3O3C20H26 |
AB3C3D20E26 |
-120.03 |
5.81 |
-8.91 |
-0.18 |
0 |
|
|
351596 |
127280488 |
1 |
O2N5C19H23 |
A2B5C19D23 |
-19.08 |
7.02 |
-9.27 |
-1.33 |
0 |
|
|
351597 |
127280489 |
1 |
O2N6C19H24 |
A2B6C19D24 |
-3.41 |
4.93 |
-9.31 |
-1.16 |
0 |
|
|
351598 |
127280490 |
1 |
O4N5C16H23 |
A4B5C16D23 |
-162.49 |
3.97 |
-9.42 |
-0.77 |
0 |
|
|
351599 |
127280491 |
1 |
O3N4C20H24 |
A3B4C20D24 |
-92.73 |
6.02 |
-9.09 |
-0.83 |
0 |
|
|
351600 |
127280492 |
1 |
SO2N5C15H23 |
AB2C5D15E23 |
-39.33 |
5.35 |
-9.41 |
-1.28 |
0 |
|
|
351601 |
127280493 |
1 |
SO2N5C20H25 |
AB2C5D20E25 |
-23.83 |
6.31 |
-9.15 |
-1.38 |
0 |
|
|
351602 |
127280494 |
1 |
O4N5C16H25 |
A4B5C16D25 |
-161.75 |
3.87 |
-8.6 |
-0.31 |
0 |
|
|
351603 |
127280495 |
1 |
O2N7C13H21 |
A2B7C13D21 |
-6.27 |
5.28 |
-9.5 |
-0.75 |
0 |
|
|
351604 |
127280496 |
1 |
O3N4C18H30 |
A3B4C18D30 |
-150.45 |
4.91 |
-9.3 |
0.56 |
0 |
|
|
351605 |
127280497 |
1 |
N4O4C17H26 |
A4B4C17D26 |
-184.09 |
1.69 |
-9.18 |
-0.13 |
0 |
|
|
351606 |
127280498 |
2 |
N2O2C10H13 |
A2B2C10D13 |
-142.76 |
6.07 |
-8.91 |
-0.45 |
0 |
|
|
351607 |
127280499 |
1 |
O3N4C16H26 |
A3B4C16D26 |
-139.48 |
3.23 |
-9.09 |
0.43 |
0 |
|
|
351608 |
127280500 |
1 |
O3N5C20H25 |
A3B5C20D25 |
-79.21 |
4.03 |
-9.26 |
-1.2 |
0 |
|
|
351609 |
127280501 |
1 |
SO3N4C15H24 |
AB3C4D15E24 |
-123.34 |
4.61 |
-9.01 |
-0.11 |
0 |
|
|
351610 |
127280502 |
1 |
SO3N5C18H23 |
AB3C5D18E23 |
-74.5 |
6.71 |
-9.27 |
-1.33 |
0 |
|
|
351611 |
127280503 |
1 |
O2N7C18H23 |
A2B7C18D23 |
24.11 |
4.54 |
-9.42 |
-1.5 |
0 |
|
|
351612 |
127280504 |
1 |
SO3N4C17H26 |
AB3C4D17E26 |
-129.33 |
5.86 |
-8.86 |
-0.28 |
0 |
|
|
351613 |
127280505 |
1 |
O2N4C23H30 |
A2B4C23D30 |
-63.68 |
2.67 |
-8.32 |
-0.27 |
0 |
|
|
351614 |
127280506 |
1 |
SO3N4C18H26 |
AB3C4D18E26 |
-105.13 |
5.94 |
-9.1 |
-0.76 |
0 |
|
|
351615 |
127280507 |
1 |
O3N5C21H27 |
A3B5C21D27 |
-81.75 |
4.44 |
-9.13 |
-0.88 |
0 |
|
|
351616 |
127280508 |
1 |
O3N4C21H28 |
A3B4C21D28 |
-90.83 |
9.47 |
-8.93 |
-0.41 |
0 |
|
|
351617 |
127280509 |
1 |
O3N4C20H26 |
A3B4C20D26 |
-84.04 |
5.66 |
-9.23 |
-0.56 |
0 |
|
|
351618 |
127280510 |
1 |
N4O4C19H24 |
A4B4C19D24 |
-136.83 |
4.92 |
-9.2 |
-0.86 |
0 |
|
|
351619 |
127280511 |
1 |
N4O4C19H24 |
A4B4C19D24 |
-136.73 |
6.77 |
-9.14 |
-0.75 |
0 |
|
|
351620 |
127280512 |
1 |
O3N4C22H30 |
A3B4C22D30 |
-112.83 |
4.75 |
-9.14 |
-0.36 |
0 |
|
|
351621 |
127280513 |
1 |
O3N7C19H25 |
A3B7C19D25 |
-42.25 |
3.16 |
-9.12 |
-1.39 |
0 |
|
|
351622 |
127280514 |
1 |
O2N5C18H23 |
A2B5C18D23 |
-23.85 |
7.29 |
-9.06 |
-0.62 |
0 |
|
|
351623 |
127280515 |
1 |
SO2N4C18H22 |
AB2C4D18E22 |
-33.2 |
6.12 |
-9.26 |
-1.15 |
0 |
|
|
351624 |
127280516 |
1 |
SO2N5C18H27 |
AB2C5D18E27 |
-67.74 |
4.31 |
-8.83 |
-0.45 |
0 |
|
|
351625 |
127280517 |
1 |
N4O4C21H26 |
A4B4C21D26 |
-137.18 |
8.92 |
-9.15 |
-1.49 |
0 |
|
|
351626 |
127280518 |
1 |
O3N5C20H25 |
A3B5C20D25 |
-86.99 |
5.48 |
-9.27 |
-0.99 |
0 |
|
|
351627 |
127280519 |
2 |
N2O2C9H15 |
A2B2C9D15 |
-182.67 |
4.0 |
-9.2 |
0.65 |
0 |
|
|
351628 |
127280520 |
1 |
O2N4C23H30 |
A2B4C23D30 |
-64.79 |
9.0 |
-8.4 |
-0.12 |
0 |
|
|
351629 |
127280521 |
1 |
SO2N4C17H24 |
AB2C4D17E24 |
-52.54 |
5.51 |
-9.21 |
-0.52 |
0 |
|
|
351630 |
127280522 |
2 |
N2O2C10H13 |
A2B2C10D13 |
-158.11 |
10.8 |
-9.01 |
-1.01 |
0 |
|
|
351631 |
127280523 |
1 |
N4O4C21H26 |
A4B4C21D26 |
-140.11 |
3.28 |
-9.05 |
-1.4 |
0 |
|
|
351632 |
127280524 |
1 |
O3N4C17H24 |
A3B4C17D24 |
-109.66 |
3.45 |
-9.22 |
-0.62 |
0 |
|
|
351633 |
127280525 |
1 |
O4N5C19H31 |
A4B5C19D31 |
-186.33 |
3.39 |
-9.14 |
-0.19 |
0 |
|
|
351634 |
127280526 |
1 |
SN4O4C18H30 |
AB4C4D18E30 |
-179.45 |
5.63 |
-9.13 |
-0.21 |
0 |
|
|
351635 |
127280527 |
1 |
O2N5C19H23 |
A2B5C19D23 |
-20.13 |
6.58 |
-9.26 |
-1.33 |
0 |
|
|
351636 |
127280528 |
1 |
SO2N7C16H21 |
AB2C7D16E21 |
31.09 |
9.95 |
-9.52 |
-1.66 |
0 |
|
|
351637 |
127280529 |
1 |
O3N5C16H23 |
A3B5C16D23 |
-82.35 |
4.26 |
-9.3 |
-0.99 |
0 |
|
|
351638 |
127280530 |
1 |
O3N4C21H28 |
A3B4C21D28 |
-89.99 |
8.31 |
-9.06 |
-0.4 |
0 |
|
|
351639 |
127280531 |
2 |
N2O2C10H13 |
A2B2C10D13 |
-137.09 |
3.31 |
-8.91 |
-0.46 |
0 |
|
|
351640 |
127280532 |
2 |
N2O2C10H15 |
A2B2C10D15 |
-183.47 |
6.48 |
-9.07 |
-0.11 |
0 |
|
|
351641 |
127280562 |
1 |
O3N5C14H17 |
A3B5C14D17 |
-78.99 |
4.75 |
-9.08 |
-0.99 |
0 |
|
|
351642 |
127280563 |
2 |
ON3C10H13 |
AB3C10D13 |
1.56 |
5.53 |
-8.8 |
-0.94 |
0 |
|
|
351643 |
127280665 |
1 |
FON5C20H26 |
ABC5D20E26 |
-48.92 |
3.64 |
-8.94 |
-1.1 |
0 |
|
|
351644 |
127280666 |
1 |
ON5C21H29 |
AB5C21D29 |
-13.55 |
4.71 |
-8.8 |
-0.86 |
0 |
|
|
351645 |
127280708 |
1 |
O2S3N5C14H15 |
A2B3C5D14E15 |
20.89 |
7.27 |
-8.8 |
-1.18 |
0 |
|
|
351646 |
127280709 |
1 |
S2O3N5C14H17 |
A2B3C5D14E17 |
-52.05 |
4.06 |
-8.82 |
-1.25 |
0 |
|
|
351647 |
127280714 |
1 |
S2O3N4C15H16 |
A2B3C4D15E16 |
-27.07 |
5.89 |
-8.71 |
-1.23 |
0 |
|
|
351648 |
127280715 |
1 |
O2S2N5C16H19 |
A2B2C5D16E19 |
0.88 |
4.45 |
-8.86 |
-1.05 |
0 |
|
|
351649 |
127280716 |
1 |
FO2S2N4C15H15 |
AB2C2D4E15F15 |
-32.68 |
5.0 |
-9.0 |
-1.21 |
0 |
|
|
351650 |
127280717 |
1 |
O2S2F3N4C14H15 |
A2B2C3D4E14F15 |
-172.91 |
4.99 |
-8.92 |
-1.33 |
0 |
|
|
351651 |
127280718 |
1 |
O2S2N4C13H16 |
A2B2C4D13E16 |
-7.74 |
6.63 |
-8.61 |
-1.1 |
0 |
|
|
351652 |
127280719 |
1 |
O2S2N5C16H17 |
A2B2C5D16E17 |
23.57 |
6.11 |
-8.67 |
-1.2 |
0 |
|
|
351653 |
127280720 |
1 |
O2S2N5C12H15 |
A2B2C5D12E15 |
6.25 |
5.91 |
-8.81 |
-1.22 |
0 |
|
|
351654 |
127280721 |
1 |
ON6H12C13 |
AB6C12D13 |
104.32 |
4.05 |
-9.44 |
-1.34 |
0 |
|
|
351655 |
127280722 |
1 |
ON5C22H27 |
AB5C22D27 |
53.7 |
8.13 |
-8.65 |
-1.38 |
0 |
|
|
351656 |
127280723 |
1 |
ON5C20H25 |
AB5C20D25 |
56.79 |
8.73 |
-8.43 |
-1.47 |
0 |
|
|
351657 |
127280724 |
1 |
ON5C20H25 |
AB5C20D25 |
59.56 |
8.43 |
-8.62 |
-1.52 |
0 |
|
|
351658 |
127280725 |
1 |
ON5C20H25 |
AB5C20D25 |
56.43 |
7.92 |
-8.41 |
-1.51 |
0 |
|
|
351659 |
127280726 |
1 |
OF3N5C17H26 |
AB3C5D17E26 |
-196.17 |
3.94 |
-9.1 |
0.18 |
0 |