List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
85600 |
49877535 |
1 |
NCl2O2C15H24 |
AB2C2D15E24 |
-82.47 |
4.48 |
0.0 |
0.0 |
-1 |
|
|
85601 |
49877540 |
1 |
ClN2O2C19H26 |
AB2C2D19E26 |
-0.57 |
3.43 |
0.0 |
0.0 |
-1 |
|
|
85602 |
49877598 |
1 |
ClNO2F4C15H17 |
ABC2D4E15F17 |
-197.68 |
2.3 |
0.0 |
0.0 |
-1 |
|
|
85603 |
49877614 |
1 |
ClNO2C4H7 |
ABC2D4E7 |
-65.14 |
5.53 |
0.0 |
0.0 |
0 |
|
|
85604 |
49877630 |
1 |
N2O7C27H34 |
A2B7C27D34 |
-209.04 |
6.26 |
-8.57 |
-0.63 |
0 |
|
|
85605 |
49877632 |
1 |
N2O6C25H30 |
A2B6C25D30 |
-160.34 |
8.15 |
-8.67 |
-0.76 |
0 |
|
|
85606 |
49877633 |
1 |
N2O6C27H34 |
A2B6C27D34 |
-186.84 |
6.88 |
-8.76 |
-0.76 |
0 |
|
|
85607 |
49877634 |
1 |
N2O7C26H32 |
A2B7C26D32 |
-210.7 |
8.9 |
-8.65 |
-0.91 |
-1 |
|
|
85608 |
49877636 |
1 |
ClNO2C12H17 |
ABC2D12E17 |
-42.3 |
0.85 |
0.0 |
0.0 |
-1 |
|
|
85609 |
49877649 |
1 |
ClN2O3C12H14 |
AB2C3D12E14 |
-77.15 |
2.33 |
0.0 |
0.0 |
-1 |
|
|
85610 |
49877654 |
1 |
ClON3C11H21 |
ABC3D11E21 |
-36.21 |
5.38 |
0.0 |
0.0 |
0 |
|
|
85611 |
49877666 |
1 |
N3O5C28H29 |
A3B5C28D29 |
-84.87 |
7.92 |
-9.12 |
-0.63 |
0 |
|
|
85612 |
49877669 |
1 |
SN3O6H17C22 |
AB3C6D17E22 |
-57.06 |
4.82 |
-9.05 |
-1.56 |
0 |
|
|
85613 |
49877678 |
1 |
FN2O5H19C25 |
AB2C5D19E25 |
-126.36 |
11.38 |
-9.46 |
-0.94 |
0 |
|
|
85614 |
49877689 |
1 |
BrN2O5H17C22 |
AB2C5D17E22 |
-67.97 |
5.26 |
-9.51 |
-1.25 |
-1 |
|
|
85615 |
49877692 |
1 |
ClNO2C11H15 |
ABC2D11E15 |
-80.77 |
1.46 |
0.0 |
0.0 |
0 |
|
|
85616 |
49877696 |
1 |
N3O7H21C24 |
A3B7C21D24 |
-77.81 |
9.22 |
-9.51 |
-1.67 |
0 |
|
|
85617 |
49877716 |
1 |
N2C19H24 |
A2B19C24 |
36.68 |
2.77 |
-8.95 |
0.52 |
0 |
|
|
85618 |
49877718 |
2 |
NC10H13 |
AB10C13 |
21.5 |
1.69 |
-8.6 |
0.67 |
0 |
|
|
85619 |
49877719 |
1 |
F2N2C19H22 |
A2B2C19D22 |
-58.16 |
5.73 |
-9.11 |
0.1 |
0 |
|
|
85620 |
49877720 |
1 |
Cl2N2C19H22 |
A2B2C19D22 |
16.2 |
6.12 |
-9.05 |
0.01 |
0 |
|
|
85621 |
49877722 |
2 |
NO2C13H18 |
AB2C13D18 |
-123.56 |
1.31 |
-8.53 |
-1.29 |
0 |
|
|
85622 |
49877723 |
2 |
BrON2H9C12 |
ABC2D9E12 |
95.17 |
13.05 |
-8.58 |
-1.61 |
0 |
|
|
85623 |
49877730 |
1 |
O3N4H18C22 |
A3B4C18D22 |
31.5 |
4.41 |
-8.41 |
-1.28 |
0 |
|
|
85624 |
49877745 |
1 |
BrSO3N4C29H29 |
ABC3D4E29F29 |
-67.22 |
3.48 |
-8.36 |
-1.16 |
0 |
|
|
85625 |
49877762 |
1 |
SO3N4C26H26 |
AB3C4D26E26 |
-13.72 |
4.06 |
-8.55 |
-1.31 |
0 |
|
|
85626 |
49877763 |
1 |
SN3O3C26H29 |
AB3C3D26E29 |
-49.6 |
4.18 |
-8.28 |
-1.26 |
0 |
|
|
85627 |
49877764 |
1 |
ClON4C27H27 |
ABC4D27E27 |
28.01 |
4.58 |
-8.2 |
-0.66 |
0 |
|
|
85628 |
49877765 |
1 |
N2O4C21H22 |
A2B4C21D22 |
-95.86 |
3.81 |
-8.67 |
-1.51 |
0 |
|
|
85629 |
49877774 |
1 |
ClO3N4H23C24 |
AB3C4D23E24 |
-0.26 |
7.52 |
-8.5 |
-1.94 |
0 |
|
|
85630 |
49877781 |
1 |
O2N3H17C19 |
A2B3C17D19 |
48.37 |
6.92 |
-8.69 |
-1.12 |
0 |
|
|
85631 |
49877799 |
1 |
ON4H14C16 |
AB4C14D16 |
72.26 |
9.24 |
-8.75 |
-0.84 |
0 |
|
|
85632 |
49877805 |
1 |
N3O6C22H23 |
A3B6C22D23 |
-163.58 |
3.11 |
-8.1 |
-0.75 |
0 |
|
|
85633 |
49877806 |
1 |
N2O3C31H40 |
A2B3C31D40 |
-113.76 |
2.73 |
-9.16 |
-1.15 |
0 |
|
|
85634 |
49877811 |
1 |
N2O2H20C27 |
A2B2C20D27 |
83.35 |
7.0 |
-8.65 |
-1.63 |
0 |
|
|
85635 |
49877821 |
1 |
NBr2O2H13C15 |
AB2C2D13E15 |
-32.04 |
9.06 |
-8.44 |
-1.37 |
0 |
|
|
85636 |
49877822 |
2 |
ClNO2H9C11 |
ABC2D9E11 |
-64.98 |
5.3 |
-8.64 |
-1.41 |
0 |
|
|
85637 |
49877824 |
1 |
BrN2O3H19C25 |
AB2C3D19E25 |
29.5 |
12.02 |
-8.44 |
-1.45 |
0 |
|
|
85638 |
49877825 |
1 |
ClON4H17C25 |
ABC4D17E25 |
110.75 |
2.32 |
-8.54 |
-1.4 |
0 |
|
|
85639 |
49877826 |
1 |
BrN7O8H28C36 |
AB7C8D28E36 |
73.22 |
1.83 |
-8.79 |
-1.93 |
0 |
|
|
85640 |
49877827 |
1 |
O2N7C18H23 |
A2B7C18D23 |
29.12 |
7.1 |
-8.77 |
-1.01 |
0 |
|
|
85641 |
49877828 |
1 |
NOC28H37 |
ABC28D37 |
-86.2 |
2.99 |
-8.53 |
0.25 |
0 |
|
|
85642 |
49877831 |
1 |
SN2O4H20C26 |
AB2C4D20E26 |
-30.16 |
6.06 |
-8.85 |
-1.62 |
0 |
|
|
85643 |
49877832 |
1 |
O2N3H19C22 |
A2B3C19D22 |
26.65 |
6.39 |
-8.01 |
-1.12 |
0 |
|
|
85644 |
49877835 |
1 |
ClFON2H22C26 |
ABCD2E22F26 |
0.32 |
3.52 |
-9.01 |
-1.47 |
0 |
|
|
85645 |
49877841 |
1 |
N3O4H21C23 |
A3B4C21D23 |
-57.89 |
3.25 |
-8.32 |
-1.19 |
0 |
|
|
85646 |
49877847 |
1 |
N3O5H25C26 |
A3B5C25D26 |
-71.26 |
3.63 |
-8.52 |
-1.36 |
0 |
|
|
85647 |
49877849 |
1 |
ON7H11C12 |
AB7C11D12 |
109.89 |
3.76 |
-9.15 |
-1.22 |
0 |
|
|
85648 |
49877852 |
2 |
NS2O3C16H17 |
AB2C3D16E17 |
-153.81 |
15.86 |
-8.47 |
-2.04 |
0 |
|
|
85649 |
49877854 |
1 |
O2N3H19C20 |
A2B3C19D20 |
10.74 |
3.35 |
-8.81 |
-1.07 |
0 |
|
|
85650 |
49877876 |
1 |
ClNSO3H12C16 |
ABCD3E12F16 |
-51.32 |
2.35 |
-8.95 |
-0.76 |
0 |
|
|
85651 |
49877879 |
1 |
ISN2O3H17C22 |
ABC2D3E17F22 |
51.08 |
3.9 |
-8.67 |
-1.51 |
0 |
|
|
85652 |
49877880 |
1 |
BrClFON2H15C23 |
ABCDE2F15G23 |
21.09 |
3.44 |
-9.25 |
-1.58 |
0 |
|
|
85653 |
49877881 |
1 |
BrFION2H15C23 |
ABCDE2F15G23 |
45.98 |
3.02 |
-9.2 |
-1.59 |
0 |
|
|
85654 |
49877882 |
1 |
BrFON2H18C24 |
ABCD2E18F24 |
19.25 |
2.33 |
-8.99 |
-1.43 |
0 |
|
|
85655 |
49877883 |
1 |
BrON2H17C23 |
ABC2D17E23 |
72.66 |
4.16 |
-8.87 |
-1.16 |
0 |
|
|
85656 |
49877884 |
1 |
ClFON2H24C27 |
ABCD2E24F27 |
-8.94 |
3.08 |
-9.02 |
-1.42 |
0 |
|
|
85657 |
49877885 |
1 |
OF2N2H22C26 |
AB2C2D22E26 |
-37.51 |
3.63 |
-9.0 |
-1.48 |
0 |
|
|
85658 |
49877886 |
1 |
ClON2H27C28 |
ABC2D27E28 |
27.6 |
3.7 |
-8.74 |
-1.23 |
0 |
|
|
85659 |
49877887 |
1 |
ON2C29H30 |
AB2C29D30 |
29.24 |
3.58 |
-8.59 |
-1.08 |
0 |
|
|
85660 |
49877889 |
1 |
FON2H27C28 |
ABC2D27E28 |
-8.56 |
4.85 |
-8.83 |
-1.27 |
0 |
|
|
85661 |
49877894 |
1 |
SN3O7H23C28 |
AB3C7D23E28 |
-86.57 |
7.66 |
-8.86 |
-1.86 |
0 |
|
|
85662 |
49877899 |
1 |
ON2H20C24 |
AB2C20D24 |
62.26 |
2.16 |
-8.86 |
-1.16 |
0 |
|
|
85663 |
49877900 |
1 |
O3N5H15C17 |
A3B5C15D17 |
39.31 |
10.17 |
-9.27 |
-1.28 |
0 |
|
|
85664 |
49877905 |
1 |
BrN3O4H24C29 |
AB3C4D24E29 |
-35.4 |
5.05 |
-8.8 |
-1.19 |
0 |
|
|
85665 |
49877906 |
1 |
ION3H16C24 |
ABC3D16E24 |
116.52 |
1.07 |
-8.78 |
-1.24 |
0 |
|
|
85666 |
49877907 |
1 |
BrN3O4H14C22 |
AB3C4D14E22 |
35.48 |
11.48 |
-9.19 |
-1.58 |
0 |
|
|
85667 |
49877912 |
1 |
ON4H22C26 |
AB4C22D26 |
114.35 |
3.4 |
-8.91 |
-0.9 |
0 |
|
|
85668 |
49877915 |
1 |
O5N7C17H19 |
A5B7C17D19 |
-81.03 |
10.47 |
-8.79 |
-0.97 |
0 |
|
|
85669 |
49877926 |
1 |
BrSN3O6C30H34 |
ABC3D6E30F34 |
-176.15 |
8.21 |
-8.55 |
-1.16 |
0 |
|
|
85670 |
49877931 |
1 |
BrO2N4C14H15 |
AB2C4D14E15 |
8.09 |
6.04 |
-8.81 |
-1.31 |
1 |
|
|
85671 |
49877946 |
1 |
O2N4C20H27 |
A2B4C20D27 |
53.41 |
23.91 |
0.0 |
0.0 |
1 |
|
|
85672 |
49877947 |
1 |
O2N4C14H23 |
A2B4C14D23 |
28.61 |
6.48 |
0.0 |
0.0 |
0 |
|
|
85673 |
49877950 |
1 |
BrSN2O6C27H27 |
ABC2D6E27F27 |
-158.01 |
4.48 |
-8.75 |
-1.23 |
0 |
|
|
85674 |
49877951 |
1 |
BrSN2O6C27H27 |
ABC2D6E27F27 |
-156.63 |
6.08 |
-8.73 |
-1.17 |
0 |