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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
123663 |
50858327 |
1 |
SO3N4C22H26 |
AB3C4D22E26 |
6.7 |
4.93 |
-8.14 |
-1.63 |
0 |
|
|
123664 |
50858328 |
1 |
ON3C26H29 |
AB3C26D29 |
22.07 |
6.25 |
-8.07 |
-0.31 |
0 |
|
|
123665 |
50858339 |
1 |
Cl2O2N3C22H25 |
A2B2C3D22E25 |
-37.37 |
9.7 |
-8.06 |
-0.52 |
0 |
|
|
123666 |
50858392 |
1 |
O2N3C26H31 |
A2B3C26D31 |
-29.22 |
5.31 |
-8.12 |
-0.7 |
0 |
|
|
123667 |
50858393 |
1 |
ClON3C24H26 |
ABC3D24E26 |
5.23 |
9.09 |
-8.26 |
-0.98 |
0 |
|
|
123668 |
50858408 |
1 |
ClON3C24H26 |
ABC3D24E26 |
5.23 |
8.94 |
-8.27 |
-1.0 |
0 |
|
|
123669 |
50858409 |
1 |
N3O3C19H23 |
A3B3C19D23 |
-124.21 |
9.55 |
-8.29 |
-1.16 |
0 |
|
|
123670 |
50858410 |
1 |
ON2C23H30 |
AB2C23D30 |
-10.18 |
3.05 |
-7.65 |
-0.11 |
0 |
|
|
123671 |
50858411 |
1 |
OCl2N3C22H25 |
AB2C3D22E25 |
-11.19 |
7.33 |
-8.13 |
-0.75 |
0 |
|
|
123672 |
50858417 |
1 |
O2N3C21H25 |
A2B3C21D25 |
27.53 |
11.53 |
-8.18 |
-1.13 |
0 |
|
|
123673 |
50858418 |
1 |
BrON3C22H26 |
ABC3D22E26 |
-6.95 |
2.8 |
-7.94 |
-0.57 |
0 |
|
|
123674 |
50858419 |
1 |
BrON3C22H26 |
ABC3D22E26 |
6.78 |
6.25 |
-8.09 |
-0.51 |
0 |
|
|
123675 |
50858522 |
1 |
ClSN3O3C25H26 |
ABC3D3E25F26 |
-90.31 |
7.59 |
-8.1 |
-1.06 |
0 |
|
|
123676 |
50858523 |
1 |
ClSN3O3C25H26 |
ABC3D3E25F26 |
-94.2 |
8.19 |
-8.22 |
-1.26 |
0 |
|
|
123677 |
50858524 |
2 |
NC11H14 |
AB11C14 |
26.71 |
3.5 |
-7.86 |
-0.06 |
0 |
|
|
123678 |
50858525 |
1 |
O2N3C20H23 |
A2B3C20D23 |
39.77 |
10.25 |
-8.14 |
-1.2 |
0 |
|
|
123679 |
50858526 |
1 |
BrClN2C20H22 |
ABC2D20E22 |
40.28 |
7.46 |
-8.09 |
-0.64 |
0 |
|
|
123680 |
50858527 |
1 |
N2C21H26 |
A2B21C26 |
35.42 |
4.21 |
-7.84 |
-0.11 |
0 |
|
|
123681 |
50858528 |
1 |
IN2C21H25 |
AB2C21D25 |
51.05 |
5.65 |
-7.98 |
-0.69 |
0 |
|
|
123682 |
50858529 |
1 |
ClN2C20H23 |
AB2C20D23 |
34.09 |
6.22 |
-8.03 |
-0.37 |
0 |
|
|
123683 |
50858530 |
2 |
ClNC10H11 |
ABC10D11 |
28.04 |
7.31 |
-8.07 |
-0.63 |
0 |
|
|
123684 |
50858531 |
2 |
NC11H14 |
AB11C14 |
26.59 |
3.77 |
-7.79 |
-0.1 |
0 |
|
|
123685 |
50858566 |
2 |
NOC11H13 |
ABC11D13 |
-47.29 |
9.04 |
-8.07 |
-0.59 |
0 |
|
|
123686 |
50858567 |
1 |
ON3C22H27 |
AB3C22D27 |
-6.33 |
2.19 |
-7.82 |
-0.27 |
0 |
|
|
123687 |
50858666 |
1 |
SN2O3C27H32 |
AB2C3D27E32 |
-98.05 |
6.95 |
-8.07 |
-0.87 |
0 |
|
|
123688 |
50858667 |
1 |
SN2O2C26H30 |
AB2C2D26E30 |
-61.06 |
5.46 |
-8.01 |
-0.71 |
0 |
|
|
123689 |
50858728 |
1 |
SN2O2C21H26 |
AB2C2D21E26 |
-59.3 |
6.04 |
-8.01 |
-0.74 |
0 |
|
|
123690 |
50858947 |
1 |
ClN3O4C26H28 |
AB3C4D26E28 |
-139.0 |
10.92 |
-8.47 |
-1.22 |
0 |
|
|
123691 |
50858948 |
1 |
ClN3O4C26H28 |
AB3C4D26E28 |
-140.47 |
8.88 |
-8.49 |
-1.28 |
0 |
|
|
123692 |
50858956 |
1 |
BrClN3O3H23C24 |
ABC3D3E23F24 |
-85.71 |
9.92 |
-8.44 |
-1.26 |
0 |
|
|
123693 |
50858957 |
1 |
BrClON3C23H23 |
ABCD3E23F23 |
17.13 |
10.13 |
-8.48 |
-1.12 |
0 |
|
|
123694 |
50858958 |
1 |
ClO2N3C24H26 |
AB2C3D24E26 |
-23.97 |
7.16 |
-8.24 |
-1.0 |
0 |
|
|
123695 |
50858999 |
1 |
ClOSN3C17H20 |
ABCD3E17F20 |
-19.75 |
9.64 |
-8.39 |
-1.28 |
0 |
|
|
123696 |
50859070 |
1 |
BrN2C21H25 |
AB2C21D25 |
36.83 |
6.58 |
-7.97 |
-0.39 |
0 |
|
|
123697 |
50859410 |
1 |
BrFO3N4C25H26 |
ABC3D4E25F26 |
-127.25 |
10.72 |
-8.28 |
-1.24 |
0 |
|
|
123698 |
50859498 |
1 |
FN5C26H26 |
AB5C26D26 |
57.47 |
10.1 |
-8.43 |
-1.3 |
0 |
|
|
123699 |
50859561 |
1 |
FSN2O2C17H19 |
ABC2D2E17F19 |
-118.5 |
10.17 |
-8.38 |
-0.97 |
0 |
|
|
123700 |
50859562 |
1 |
FOSN3C24H26 |
ABCD3E24F26 |
-30.58 |
7.06 |
-8.14 |
-0.85 |
0 |
|
|
123701 |
50859563 |
1 |
FOSN3C24H26 |
ABCD3E24F26 |
-29.46 |
3.47 |
-8.05 |
-0.78 |
0 |
|
|
123702 |
50859564 |
1 |
FOCl2N3H22C23 |
ABC2D3E22F23 |
-39.34 |
11.75 |
-8.55 |
-1.15 |
0 |
|
|
123703 |
50859565 |
1 |
ClFON3C24H25 |
ABCD3E24F25 |
-41.26 |
9.85 |
-8.48 |
-1.04 |
0 |
|
|
123704 |
50859566 |
1 |
FSN3O3C25H26 |
ABC3D3E25F26 |
-114.8 |
11.91 |
-8.58 |
-1.42 |
0 |
|
|
123705 |
50859567 |
1 |
FSN3O3C26H28 |
ABC3D3E26F28 |
-121.73 |
12.19 |
-8.57 |
-1.42 |
0 |
|
|
123706 |
50859568 |
1 |
FSN2O2C18H21 |
ABC2D2E18F21 |
-118.31 |
9.11 |
-8.32 |
-0.89 |
0 |
|
|
123707 |
50859569 |
1 |
FON2S2C17H19 |
ABC2D2E17F19 |
-53.81 |
10.87 |
-8.34 |
-1.26 |
0 |
|
|
123708 |
50859570 |
1 |
FOSN3C17H20 |
ABCD3E17F20 |
-58.02 |
9.87 |
-8.4 |
-1.24 |
0 |
|
|
123709 |
50859571 |
1 |
FOSN3C25H28 |
ABCD3E25F28 |
-37.8 |
2.93 |
-8.04 |
-0.76 |
0 |
|
|
123710 |
50859572 |
1 |
ClFON2C20H22 |
ABCD2E20F22 |
-60.47 |
8.39 |
-8.18 |
-0.71 |
0 |
|
|
123711 |
50859573 |
1 |
ClFON3C24H25 |
ABCD3E24F25 |
-40.89 |
10.04 |
-8.48 |
-0.97 |
0 |
|
|
123712 |
50859574 |
2 |
FNC10H11 |
ABC10D11 |
-53.37 |
6.69 |
-8.26 |
-0.29 |
0 |
|
|
123713 |
50859575 |
1 |
FSN3O3C26H28 |
ABC3D3E26F28 |
-120.3 |
12.72 |
-8.51 |
-1.31 |
0 |
|
|
123714 |
50859576 |
1 |
BrFSO2N3C25H25 |
ABCD2E3F25G25 |
-81.59 |
12.11 |
-8.7 |
-1.57 |
0 |
|
|
123715 |
50859577 |
1 |
FO2N3C17H20 |
AB2C3D17E20 |
-114.1 |
8.49 |
-8.36 |
-0.81 |
0 |
|
|
123716 |
50859578 |
1 |
FN2C22H23 |
AB2C22D23 |
18.39 |
8.4 |
-8.25 |
-0.1 |
0 |
|
|
123717 |
50859579 |
1 |
FOSN3C25H28 |
ABCD3E25F28 |
-39.29 |
2.54 |
-8.02 |
-0.72 |
0 |
|
|
123718 |
50859580 |
1 |
FSO2N3C24H26 |
ABC2D3E24F26 |
-58.5 |
2.16 |
-8.08 |
-0.69 |
0 |
|
|
123719 |
50859581 |
1 |
FON3C25H28 |
ABC3D25E28 |
-35.28 |
8.62 |
-8.41 |
-0.98 |
0 |
|
|
123720 |
50859626 |
1 |
ClFSO2N3H23C24 |
ABCD2E3F23G24 |
-80.19 |
11.66 |
-8.56 |
-1.43 |
0 |
|
|
123721 |
50859659 |
1 |
FOSN3C24H26 |
ABCD3E24F26 |
-30.87 |
3.61 |
-8.07 |
-0.81 |
0 |
|
|
123722 |
50859673 |
1 |
ON4C24H26 |
AB4C24D26 |
52.35 |
5.53 |
-8.08 |
-0.53 |
0 |
|
|
123723 |
50859719 |
1 |
O2N3C25H29 |
A2B3C25D29 |
-23.35 |
8.89 |
-8.19 |
-0.62 |
0 |
|
|
123724 |
50859770 |
1 |
BrON2C23H25 |
ABC2D23E25 |
24.63 |
9.37 |
-8.02 |
-0.52 |
0 |
|
|
123725 |
50859785 |
1 |
O3N5C20H25 |
A3B5C20D25 |
12.41 |
14.38 |
-8.28 |
-1.11 |
0 |
|
|
123726 |
50859788 |
1 |
O2N3C27H31 |
A2B3C27D31 |
-19.83 |
7.53 |
-8.04 |
-0.2 |
0 |
|
|
123727 |
50859789 |
1 |
ClO2N3C23H28 |
AB2C3D23E28 |
-42.14 |
10.52 |
-7.97 |
-0.36 |
0 |
|
|
123728 |
50859790 |
1 |
ClO2N4C21H25 |
AB2C4D21E25 |
-23.37 |
9.43 |
-8.13 |
-0.66 |
0 |
|
|
123729 |
50859791 |
1 |
ClFN2C21H24 |
ABC2D21E24 |
-23.56 |
6.89 |
-8.22 |
-0.32 |
0 |
|
|
123730 |
50859792 |
1 |
FN3C26H28 |
AB3C26D28 |
22.04 |
4.76 |
-7.8 |
-0.35 |
0 |
|
|
123731 |
50859836 |
1 |
Cl2O2N3C22H25 |
A2B2C3D22E25 |
-43.04 |
10.0 |
-8.15 |
-0.6 |
0 |
|
|
123732 |
50859837 |
1 |
Br2N3O3C22H25 |
A2B3C3D22E25 |
-65.21 |
8.5 |
-8.11 |
-0.56 |
0 |
|
|
123733 |
50859838 |
1 |
N2O3C22H26 |
A2B3C22D26 |
-82.29 |
12.5 |
-8.18 |
-0.65 |
0 |
|
|
123734 |
50860135 |
1 |
FN3O4C25H26 |
AB3C4D25E26 |
-170.19 |
13.12 |
-8.46 |
-1.04 |
0 |
|
|
123735 |
50860166 |
1 |
ON2C23H30 |
AB2C23D30 |
-7.34 |
4.95 |
-7.79 |
-0.27 |
0 |
|
|
123736 |
50860221 |
1 |
BrSO2N3C26H28 |
ABC2D3E26F28 |
-38.97 |
12.71 |
-8.49 |
-1.5 |
0 |
|
|
123737 |
50860318 |
1 |
N4O5C25H28 |
A4B5C25D28 |
-43.13 |
13.64 |
-8.3 |
-1.31 |
0 |
|
|
123738 |
50860340 |
1 |
OSN3C26H31 |
ABC3D26E31 |
3.46 |
2.91 |
-7.71 |
-0.65 |
0 |
|
|
123739 |
50860487 |
1 |
ON4C26H36 |
AB4C26D36 |
-22.48 |
6.52 |
-7.9 |
0.01 |
0 |
|
|
123740 |
50860518 |
1 |
BrOSN3C25H28 |
ABCD3E25F28 |
14.99 |
5.09 |
-7.85 |
-0.9 |
0 |
|
|
123741 |
50860519 |
1 |
OSN3C26H31 |
ABC3D26E31 |
0.98 |
6.7 |
-8.0 |
-0.62 |
0 |
|
|
123742 |
50860531 |
1 |
N2C23H30 |
A2B23C30 |
19.06 |
3.3 |
-7.77 |
-0.01 |
0 |
|
|
123743 |
50860626 |
1 |
ClN2C23H29 |
AB2C23D29 |
8.7 |
5.19 |
-7.78 |
-0.2 |
0 |
|
|
123744 |
50860627 |
1 |
O2N5C21H27 |
A2B5C21D27 |
45.5 |
8.11 |
-7.98 |
-0.68 |
0 |
|
|
123745 |
50860628 |
1 |
IO2N3C23H28 |
AB2C3D23E28 |
-25.32 |
8.22 |
-8.0 |
-1.15 |
0 |
|
|
123746 |
50860629 |
1 |
O3N4C23H28 |
A3B4C23D28 |
-2.46 |
9.84 |
-8.21 |
-1.56 |
0 |
|
|
123747 |
50860630 |
1 |
Cl2O2N3C25H27 |
A2B2C3D25E27 |
-63.47 |
4.62 |
-7.92 |
-0.72 |
0 |
|
|
123748 |
50860735 |
1 |
SN3O3C27H31 |
AB3C3D27E31 |
-82.85 |
11.91 |
-8.34 |
-1.26 |
0 |
|
|
123749 |
50860736 |
1 |
ClON2C28H31 |
ABC2D28E31 |
13.64 |
6.18 |
-7.82 |
-0.53 |
0 |
|
|
123750 |
50860807 |
1 |
N2C25H34 |
A2B25C34 |
10.24 |
3.91 |
-7.82 |
0.09 |
0 |
|
|
123751 |
50860811 |
1 |
BrClON3C22H25 |
ABCD3E22F25 |
-0.53 |
7.14 |
-8.32 |
-0.6 |
0 |
|
|
123752 |
50860825 |
1 |
BrClN2C22H26 |
ABC2D22E26 |
18.94 |
7.11 |
-8.09 |
-0.49 |
0 |
|
|
123753 |
50860910 |
1 |
N2O2C25H32 |
A2B2C25D32 |
-65.07 |
4.73 |
-7.77 |
-0.36 |
0 |
|
|
123754 |
50860911 |
1 |
ClON3C23H28 |
ABC3D23E28 |
-13.24 |
5.49 |
-8.13 |
-0.18 |
0 |
|
|
123755 |
50860912 |
1 |
ClO2N3C22H26 |
AB2C3D22E26 |
-49.38 |
6.47 |
-8.23 |
-0.34 |
0 |
|
|
123756 |
50860913 |
1 |
ClON3C26H30 |
ABC3D26E30 |
-9.7 |
8.95 |
-8.24 |
-0.93 |
0 |
|
|
123757 |
50860914 |
1 |
ClON3C26H30 |
ABC3D26E30 |
-7.8 |
9.05 |
-8.14 |
-0.81 |
0 |
|
|
123758 |
50860915 |
1 |
N2O2C23H28 |
A2B2C23D28 |
-35.83 |
4.69 |
-7.84 |
-0.32 |
0 |
|
|
123759 |
50860916 |
2 |
NC12H16 |
AB12C16 |
10.41 |
2.83 |
-7.76 |
0.03 |
0 |
|
|
123760 |
50860917 |
1 |
N2O2C25H32 |
A2B2C25D32 |
-65.55 |
7.2 |
-7.98 |
-0.57 |
0 |
|
|
123761 |
50861003 |
1 |
ClSO2N3C25H28 |
ABC2D3E25F28 |
-29.66 |
3.66 |
-7.99 |
-0.78 |
0 |
|
|
123762 |
50861004 |
1 |
ClOSN3C26H30 |
ABCD3E26F30 |
-4.19 |
7.09 |
-8.04 |
-0.64 |
0 |