List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
160641 |
57389295 |
1 |
FOSN6H25C26 |
ABCD6E25F26 |
61.85 |
5.52 |
-8.68 |
-0.65 |
0 |
|
|
160644 |
57389305 |
1 |
SN3O9C39H55 |
AB3C9D39E55 |
-441.29 |
3.71 |
-8.82 |
-0.37 |
0 |
|
|
160645 |
57389307 |
1 |
SN2O5C25H32 |
AB2C5D25E32 |
-197.51 |
10.76 |
-9.0 |
-0.62 |
0 |
|
|
160646 |
57389308 |
1 |
FN3O3C22H26 |
AB3C3D22E26 |
-139.91 |
6.61 |
-9.23 |
-0.76 |
0 |
|
|
160648 |
57389316 |
1 |
FON7C22H22 |
ABC7D22E22 |
73.47 |
4.65 |
-9.09 |
-0.99 |
0 |
|
|
160649 |
57389317 |
1 |
OF2N6H20C23 |
AB2C6D20E23 |
8.44 |
6.03 |
-9.01 |
-1.19 |
0 |
|
|
160650 |
57389318 |
1 |
FO2N7C22H22 |
AB2C7D22E22 |
43.31 |
4.6 |
-9.11 |
-0.94 |
0 |
|
|
160651 |
57389319 |
1 |
ClON4H11C13 |
ABC4D11E13 |
11.17 |
4.96 |
-9.21 |
-1.11 |
0 |
|
|
160652 |
57389321 |
1 |
ClON4C17H19 |
ABC4D17E19 |
-4.83 |
4.13 |
-8.79 |
-0.74 |
0 |
|
|
160653 |
57389325 |
1 |
ClON4C18H21 |
ABC4D18E21 |
-8.64 |
5.98 |
-8.75 |
-0.68 |
0 |
|
|
160654 |
57389326 |
1 |
N2O4H14C17 |
A2B4C14D17 |
-74.14 |
3.06 |
-9.72 |
-1.22 |
0 |
|
|
160655 |
57389328 |
1 |
FN3O4H14C17 |
AB3C4D14E17 |
-123.62 |
5.07 |
-9.02 |
-1.18 |
0 |
|
|
160656 |
57389343 |
1 |
O2N5H25C27 |
A2B5C25D27 |
46.04 |
4.7 |
-8.53 |
-0.86 |
0 |
|
|
160659 |
57389353 |
2 |
NO2C9H12 |
AB2C9D12 |
-121.99 |
6.0 |
-9.55 |
-0.19 |
0 |
|
|
160662 |
57389360 |
1 |
F3N3O3C29H32 |
A3B3C3D29E32 |
-261.63 |
3.24 |
-8.88 |
-0.57 |
0 |
|
|
160663 |
57389363 |
1 |
F3O3N4H23C24 |
A3B3C4D23E24 |
-219.38 |
9.86 |
-9.46 |
-1.19 |
0 |
|
|
160664 |
57389368 |
1 |
SN2O3C9H16 |
AB2C3D9E16 |
-102.06 |
4.68 |
-9.85 |
0.15 |
0 |
|
|
160665 |
57389370 |
1 |
O7C31H46 |
A7B31C46 |
-317.86 |
4.44 |
-8.72 |
-0.21 |
0 |
|
|
160666 |
57389374 |
1 |
FON4H25C28 |
ABC4D25E28 |
29.2 |
0.38 |
-8.82 |
-1.12 |
0 |
|
|
160667 |
57389378 |
1 |
F2N5O6C27H33 |
A2B5C6D27E33 |
-285.9 |
5.09 |
-9.62 |
-1.34 |
0 |
|
|
160668 |
57389379 |
1 |
F2N4O4C23H26 |
A2B4C4D23E26 |
-218.28 |
2.69 |
-9.67 |
-1.24 |
0 |
|
|
160669 |
57389381 |
1 |
F2O4N5H25C26 |
A2B4C5D25E26 |
-178.04 |
6.39 |
-9.79 |
-1.3 |
0 |
|
|
160670 |
57389386 |
1 |
SN7O7C37H45 |
AB7C7D37E45 |
-199.25 |
8.45 |
-8.81 |
-0.36 |
0 |
|
|
160671 |
57389392 |
1 |
O42C87H140 |
A42B87C140 |
-1944.69 |
9.02 |
-9.54 |
-0.32 |
0 |
|
|
160672 |
57389394 |
1 |
SN3O5C23H33 |
AB3C5D23E33 |
-203.93 |
7.04 |
-9.19 |
-0.6 |
0 |
|
|
160673 |
57389399 |
1 |
ON5C15H17 |
AB5C15D17 |
20.42 |
4.82 |
-9.02 |
-0.99 |
0 |
|
|
160674 |
57389403 |
1 |
ClFON7H19C21 |
ABCD7E19F21 |
73.4 |
2.33 |
-9.11 |
-1.39 |
0 |
|
|
160675 |
57389404 |
1 |
OF2N5H21C24 |
AB2C5D21E24 |
-3.85 |
7.82 |
-8.81 |
-1.04 |
0 |
|
|
160676 |
57389406 |
1 |
ON5C19H21 |
AB5C19D21 |
33.2 |
6.67 |
-8.99 |
-0.94 |
0 |
|
|
160678 |
57389415 |
1 |
FN3O5H20C25 |
AB3C5D20E25 |
-143.21 |
7.33 |
-9.35 |
-1.2 |
0 |
|
|
160679 |
57389421 |
1 |
SO2N3F4H11C12 |
AB2C3D4E11F12 |
-173.06 |
2.13 |
-9.05 |
-2.04 |
0 |
|
|
160680 |
57389425 |
2 |
NO4C6H11 |
AB4C6D11 |
-377.19 |
3.73 |
-9.8 |
0.33 |
0 |
|
|
160681 |
57389428 |
1 |
FO2N4H29C31 |
AB2C4D29E31 |
-4.65 |
4.84 |
-9.15 |
-0.7 |
0 |
|
|
160683 |
57389434 |
1 |
SO6N7C29H35 |
AB6C7D29E35 |
-150.05 |
7.55 |
-8.83 |
-0.35 |
0 |
|
|
160684 |
57389437 |
1 |
N2O4C17H20 |
A2B4C17D20 |
-79.93 |
5.45 |
-9.61 |
-0.28 |
0 |
|
|
160685 |
57389438 |
1 |
N2O4C21H22 |
A2B4C21D22 |
-68.7 |
5.63 |
-9.43 |
-0.17 |
0 |
|
|
160689 |
57389446 |
1 |
F3N3O3C28H30 |
A3B3C3D28E30 |
-248.72 |
3.63 |
-8.92 |
-0.76 |
0 |
|
|
160690 |
57389447 |
1 |
F3N3O3C28H28 |
A3B3C3D28E28 |
-234.76 |
4.26 |
-9.01 |
-0.89 |
0 |
|
|
160692 |
57389453 |
2 |
O3C14H20 |
A3B14C20 |
-259.74 |
2.88 |
-9.43 |
-0.04 |
0 |
|
|
160693 |
57389455 |
1 |
O2F3N4C18H27 |
A2B3C4D18E27 |
-244.4 |
5.46 |
-8.99 |
-0.28 |
0 |
|
|
160694 |
57389457 |
1 |
O2F3N4C17H23 |
A2B3C4D17E23 |
-229.82 |
5.16 |
-8.97 |
-0.26 |
0 |
|
|
160695 |
57389458 |
1 |
OF2N6H22C25 |
AB2C6D22E25 |
15.52 |
1.85 |
-9.17 |
-1.42 |
0 |
|
|
160696 |
57389460 |
1 |
ClON6H23C25 |
ABC6D23E25 |
92.9 |
5.62 |
-9.0 |
-1.13 |
0 |
|
|
160698 |
57389470 |
1 |
NO3C13H13 |
AB3C13D13 |
-91.45 |
3.03 |
-9.18 |
-0.47 |
0 |
|
|
160700 |
57389472 |
1 |
NO3C17H19 |
AB3C17D19 |
-91.68 |
3.28 |
-9.11 |
-0.37 |
0 |
|
|
160701 |
57389477 |
1 |
OSN6C19H26 |
ABC6D19E26 |
27.42 |
2.79 |
-8.57 |
-0.98 |
0 |
|
|
160702 |
57389482 |
1 |
ClFON6H16C21 |
ABCD6E16F21 |
53.1 |
6.1 |
-9.1 |
-1.54 |
0 |
|
|
160703 |
57389486 |
1 |
OF2N6H16C21 |
AB2C6D16E21 |
14.59 |
6.1 |
-9.06 |
-1.33 |
0 |
|
|
160704 |
57389488 |
1 |
ClON4H17C20 |
ABC4D17E20 |
39.93 |
4.75 |
-8.84 |
-0.77 |
0 |
|
|
160705 |
57389490 |
1 |
ClO2N4C16H17 |
AB2C4D16E17 |
-43.29 |
2.99 |
-8.9 |
-0.76 |
0 |
|
|
160706 |
57389495 |
1 |
FN2O5H15C18 |
AB2C5D15E18 |
-160.37 |
3.26 |
-9.43 |
-1.22 |
0 |
|
|
160707 |
57389498 |
1 |
O14C57H104 |
A14B57C104 |
-610.84 |
3.23 |
-9.93 |
-0.22 |
0 |
|
|
160708 |
57389499 |
1 |
BrFOC10H12 |
ABCD10E12 |
-79.11 |
1.34 |
-9.01 |
-0.27 |
0 |
|
|
160709 |
57389510 |
2 |
NO2C5H7 |
AB2C5D7 |
-109.06 |
4.18 |
-9.91 |
-0.44 |
0 |
|
|
160711 |
57389524 |
1 |
N3O3C27H31 |
A3B3C27D31 |
-87.99 |
10.01 |
-9.3 |
-0.87 |
0 |
|
|
160712 |
57389526 |
2 |
O3C16H23 |
A3B16C23 |
-257.49 |
4.71 |
-8.72 |
-0.25 |
0 |
|
|
160713 |
57389527 |
1 |
O5C29H46 |
A5B29C46 |
-253.18 |
3.79 |
-9.06 |
0.25 |
0 |
|
|
160714 |
57389536 |
1 |
ClOF3N3H7C8 |
ABC3D3E7F8 |
-175.21 |
3.84 |
-9.95 |
-1.15 |
0 |
|
|
160715 |
57389538 |
1 |
FO2N4H23C26 |
AB2C4D23E26 |
-6.06 |
1.23 |
-9.05 |
-0.76 |
0 |
|
|
160716 |
57389543 |
1 |
F2N6O6C29H34 |
A2B6C6D29E34 |
-287.38 |
1.17 |
-9.53 |
-1.27 |
0 |
|
|
160717 |
57389544 |
1 |
FN7O7C30H34 |
AB7C7D30E34 |
-206.0 |
4.5 |
-9.15 |
-1.37 |
0 |
|
|
160719 |
57389551 |
1 |
F3O3N4C20H21 |
A3B3C4D20E21 |
-244.1 |
3.81 |
-9.24 |
-0.76 |
0 |
|
|
160720 |
57389552 |
1 |
O39C84H130 |
A39B84C130 |
-1802.51 |
11.55 |
-9.27 |
-0.66 |
0 |
|
|
160721 |
57389553 |
1 |
OSN6C21H28 |
ABC6D21E28 |
17.98 |
1.9 |
-8.65 |
-1.06 |
0 |
|
|
160722 |
57389557 |
1 |
OSN6C15H18 |
ABC6D15E18 |
53.12 |
4.02 |
-8.6 |
-1.24 |
0 |
|
|
160723 |
57389559 |
1 |
OSN6C17H20 |
ABC6D17E20 |
48.01 |
2.81 |
-8.7 |
-1.34 |
0 |
|
|
160724 |
57389564 |
1 |
FON5H24C25 |
ABC5D24E25 |
32.95 |
7.04 |
-8.97 |
-0.54 |
0 |
|
|
160726 |
57389568 |
1 |
ClSO2N4C16H17 |
ABC2D4E16F17 |
-6.52 |
4.22 |
-8.78 |
-0.74 |
0 |
|
|
160728 |
57389572 |
1 |
ON6C17H18 |
AB6C17D18 |
54.91 |
7.15 |
-8.97 |
-0.95 |
0 |
|
|
160732 |
57389600 |
1 |
SF3N3O5H26C28 |
AB3C3D5E26F28 |
-221.09 |
8.47 |
-8.72 |
-1.1 |
0 |
|
|
160733 |
57389603 |
1 |
SF3N3O5H24C27 |
AB3C3D5E24F27 |
-226.04 |
7.0 |
-9.12 |
-1.05 |
0 |
|
|
160735 |
57389605 |
1 |
O2F3N3C8H8 |
A2B3C3D8E8 |
-214.07 |
6.24 |
-9.88 |
-0.68 |
0 |
|
|
160736 |
57389607 |
1 |
O2N3C10H13 |
A2B3C10D13 |
-62.97 |
7.43 |
-9.4 |
-0.29 |
0 |
|
|
160737 |
57389613 |
1 |
ClON5H24C27 |
ABC5D24E27 |
77.18 |
6.44 |
-8.83 |
-0.96 |
0 |
|
|
160738 |
57389622 |
1 |
F3O3N4C19H19 |
A3B3C4D19E19 |
-229.19 |
6.05 |
-9.39 |
-0.98 |
0 |
|
|
160739 |
57389631 |
1 |
O2N7C22H23 |
A2B7C22D23 |
49.57 |
6.64 |
-8.47 |
-1.06 |
0 |
|
|
160740 |
57389632 |
2 |
ON3H7C8 |
AB3C7D8 |
38.57 |
2.21 |
-9.61 |
-1.24 |
0 |
|
|
160741 |
57389636 |
1 |
ClFON7H19C21 |
ABCD7E19F21 |
71.15 |
3.56 |
-9.15 |
-1.24 |
0 |
|
|
160742 |
57389639 |
1 |
FON6H19C22 |
ABC6D19E22 |
51.51 |
5.94 |
-9.05 |
-1.06 |
0 |
|
|
160743 |
57389645 |
1 |
ClSN5C16H18 |
ABC5D16E18 |
68.96 |
3.6 |
-8.54 |
-0.87 |
0 |
|
|
160744 |
57389647 |
1 |
ClON3C18H20 |
ABC3D18E20 |
-9.99 |
4.5 |
-8.67 |
-0.61 |
0 |
|
|
160745 |
57389651 |
1 |
O4N6C13H22 |
A4B6C13D22 |
-145.5 |
5.55 |
-9.16 |
-0.61 |
0 |
|
|
160746 |
57389655 |
1 |
ON5C25H27 |
AB5C25D27 |
56.42 |
5.06 |
-8.41 |
-0.16 |
0 |
|
|
160747 |
57389662 |
1 |
O2N6C23H26 |
A2B6C23D26 |
55.43 |
7.16 |
-9.02 |
-0.95 |
0 |
|
|
160749 |
57389674 |
1 |
ClSN3O3C16H16 |
ABC3D3E16F16 |
-41.1 |
6.82 |
-9.07 |
-1.54 |
0 |
|
|
160750 |
57389675 |
1 |
ClO2N3H14C18 |
AB2C3D14E18 |
29.66 |
7.41 |
-9.27 |
-1.14 |
0 |
|
|
160751 |
57389679 |
1 |
ClSO2N3H18C20 |
ABC2D3E18F20 |
11.58 |
2.43 |
-8.93 |
-0.81 |
0 |
|
|
160752 |
57389683 |
1 |
N3O3C27H31 |
A3B3C27D31 |
-86.35 |
2.31 |
-8.89 |
-0.4 |
0 |
|
|
160753 |
57389688 |
1 |
SF3N3O4H28C29 |
AB3C3D4E28F29 |
-196.0 |
4.47 |
-8.94 |
-1.01 |
0 |
|
|
160755 |
57389691 |
1 |
FSiN2O4C26H33 |
ABC2D4E26F33 |
-191.22 |
3.96 |
-9.02 |
-0.33 |
0 |
|
|
160756 |
57389696 |
1 |
O7H28C30 |
A7B28C30 |
-217.24 |
4.55 |
-8.99 |
-0.68 |
0 |
|
|
160759 |
57389703 |
1 |
FO5N9C25H28 |
AB5C9D25E28 |
-117.41 |
4.08 |
-9.6 |
-1.18 |
0 |
|
|
160760 |
57389705 |
1 |
FO5N8C26H29 |
AB5C8D26E29 |
-137.83 |
6.57 |
-9.5 |
-1.02 |
0 |
|
|
160761 |
57389709 |
1 |
O3N4C21H24 |
A3B4C21D24 |
-79.02 |
6.71 |
-9.06 |
-0.32 |
0 |
|
|
160762 |
57389710 |
1 |
SO5N6C24H32 |
AB5C6D24E32 |
-155.58 |
9.15 |
-8.89 |
-0.33 |
0 |
|
|
160763 |
57389711 |
1 |
O3N6C24H32 |
A3B6C24D32 |
-71.17 |
3.91 |
-8.45 |
-0.29 |
0 |
|
|
160764 |
57389715 |
1 |
O2N7C21H21 |
A2B7C21D21 |
53.98 |
7.32 |
-8.47 |
-1.05 |
0 |
|
|
160766 |
57389718 |
1 |
BrO2N7C22H22 |
AB2C7D22E22 |
43.72 |
7.41 |
-8.51 |
-1.01 |
0 |
|
|
160767 |
57389721 |
1 |
OF2N7H21C22 |
AB2C7D21E22 |
24.07 |
2.49 |
-9.07 |
-0.99 |
0 |
|
|
160768 |
57389724 |
1 |
FON6C25H25 |
ABC6D25E25 |
77.86 |
2.0 |
-8.96 |
-0.83 |
0 |