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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
28623 |
828644 |
1 |
SO2N3H11C16 |
AB2C3D11E16 |
33.59 |
3.02 |
-8.47 |
-1.07 |
0 |
|
|
28624 |
828646 |
1 |
SO2N3H11C16 |
AB2C3D11E16 |
34.06 |
2.43 |
-8.47 |
-0.96 |
0 |
|
|
28625 |
828682 |
1 |
ON4C16H16 |
AB4C16D16 |
65.82 |
5.63 |
-9.05 |
0.02 |
0 |
|
|
28626 |
828685 |
1 |
ON4C16H16 |
AB4C16D16 |
65.76 |
5.63 |
-9.05 |
-0.1 |
0 |
|
|
28627 |
828687 |
1 |
ON4C16H16 |
AB4C16D16 |
66.78 |
5.81 |
-9.02 |
-0.15 |
0 |
|
|
28628 |
828688 |
1 |
OCl2N4H12C15 |
AB2C4D12E15 |
61.62 |
3.2 |
-9.31 |
-0.93 |
0 |
|
|
28629 |
828690 |
1 |
OCl2N4H12C15 |
AB2C4D12E15 |
59.88 |
3.03 |
-9.25 |
-0.82 |
0 |
|
|
28630 |
828691 |
1 |
N2O3C17H28 |
A2B3C17D28 |
-101.48 |
2.53 |
-8.18 |
0.32 |
0 |
|
|
28631 |
828693 |
1 |
OCl2N4H12C15 |
AB2C4D12E15 |
60.4 |
5.08 |
-9.32 |
-0.77 |
0 |
|
|
28632 |
828699 |
2 |
N2C8H9 |
A2B8C9 |
73.13 |
3.97 |
-8.12 |
-0.24 |
0 |
|
|
28633 |
828703 |
1 |
BrN3C17H20 |
AB3C17D20 |
63.55 |
3.78 |
-8.86 |
-0.24 |
0 |
|
|
28634 |
828712 |
1 |
O2N3H13C14 |
A2B3C13D14 |
-4.36 |
2.04 |
-8.38 |
-0.6 |
0 |
|
|
28635 |
828714 |
1 |
O2N3H13C18 |
A2B3C13D18 |
35.59 |
0.48 |
-8.53 |
-0.73 |
0 |
|
|
28636 |
828715 |
1 |
O2N3H15C19 |
A2B3C15D19 |
25.71 |
1.85 |
-8.45 |
-0.68 |
0 |
|
|
28637 |
828718 |
2 |
N2C8H11 |
A2B8C11 |
58.39 |
5.01 |
-8.52 |
-0.03 |
0 |
|
|
28638 |
828720 |
1 |
OSN3C15H15 |
ABC3D15E15 |
26.58 |
1.3 |
-8.39 |
-1.0 |
0 |
|
|
28639 |
828722 |
1 |
N3C17H27 |
A3B17C27 |
14.6 |
4.29 |
-8.64 |
0.0 |
0 |
|
|
28640 |
828726 |
1 |
N3C17H27 |
A3B17C27 |
12.33 |
3.24 |
-8.32 |
-0.04 |
0 |
|
|
28641 |
828729 |
1 |
ON3C13H13 |
AB3C13D13 |
46.11 |
3.83 |
-8.47 |
-0.05 |
0 |
|
|
28642 |
828731 |
1 |
ON4C19H24 |
AB4C19D24 |
32.62 |
3.84 |
-8.43 |
-0.05 |
0 |
|
|
28643 |
828746 |
1 |
SO3N4C11H14 |
AB3C4D11E14 |
-54.69 |
3.97 |
-8.68 |
-0.48 |
0 |
|
|
28644 |
828747 |
1 |
SO2N4C11H14 |
AB2C4D11E14 |
-23.19 |
4.65 |
-8.91 |
-0.49 |
0 |
|
|
28645 |
828748 |
1 |
SO3N4C8H10 |
AB3C4D8E10 |
-40.41 |
4.59 |
-9.06 |
-0.64 |
0 |
|
|
28646 |
828751 |
1 |
SN3O4H11C16 |
AB3C4D11E16 |
-60.01 |
8.22 |
-9.72 |
-1.69 |
0 |
|
|
28647 |
828773 |
1 |
OF2N2C18H18 |
AB2C2D18E18 |
-84.45 |
5.8 |
-8.88 |
-0.54 |
0 |
|
|
28648 |
828774 |
1 |
NOH11C13 |
ABC11D13 |
32.36 |
1.85 |
-8.81 |
-1.15 |
0 |
|
|
28649 |
828786 |
1 |
ON3C22H27 |
AB3C22D27 |
5.05 |
3.46 |
-8.8 |
-0.64 |
0 |
|
|
28650 |
828789 |
1 |
FSN2O2C14H15 |
ABC2D2E14F15 |
-102.36 |
4.14 |
-8.97 |
-1.02 |
0 |
|
|
28651 |
828794 |
1 |
SN4O4H8C12 |
AB4C4D8E12 |
26.57 |
1.5 |
-9.82 |
-1.95 |
0 |
|
|
28652 |
828797 |
1 |
N3O3C19H23 |
A3B3C19D23 |
-64.1 |
4.45 |
-8.85 |
-0.12 |
0 |
|
|
28653 |
828804 |
1 |
ON3C16H23 |
AB3C16D23 |
-19.95 |
4.34 |
-8.71 |
-0.51 |
0 |
|
|
28654 |
828808 |
1 |
FN2O2C19H21 |
AB2C2D19E21 |
-79.55 |
5.58 |
-8.83 |
-0.15 |
0 |
|
|
28655 |
828809 |
1 |
ClN2O2C16H17 |
AB2C2D16E17 |
-27.59 |
4.85 |
-8.94 |
-0.46 |
0 |
|
|
28656 |
828813 |
1 |
ClNF2O2H12C16 |
ABC2D2E12F16 |
-116.78 |
5.02 |
-8.61 |
-0.75 |
0 |
|
|
28657 |
828816 |
1 |
N2O3C19H28 |
A2B3C19D28 |
-114.39 |
4.66 |
-8.51 |
-0.06 |
0 |
|
|
28658 |
828817 |
1 |
ClN2O2C19H21 |
AB2C2D19E21 |
-40.22 |
4.18 |
-8.84 |
-0.5 |
0 |
|
|
28659 |
828819 |
1 |
ClN2O2C19H21 |
AB2C2D19E21 |
-41.41 |
5.53 |
-8.83 |
-0.16 |
0 |
|
|
28660 |
828823 |
1 |
N2O2C21H26 |
A2B2C21D26 |
-38.15 |
4.51 |
-8.65 |
-0.13 |
0 |
|
|
28661 |
828829 |
1 |
NO4C14H19 |
AB4C14D19 |
-148.43 |
4.36 |
-8.48 |
-0.07 |
0 |
|
|
28662 |
828837 |
1 |
SN2O4C14H22 |
AB2C4D14E22 |
-138.32 |
3.11 |
-8.26 |
0.06 |
0 |
|
|
28663 |
828838 |
1 |
ClN2O2C19H21 |
AB2C2D19E21 |
-40.64 |
5.97 |
-8.74 |
-0.24 |
0 |
|
|
28664 |
828844 |
1 |
SO3N4C12H14 |
AB3C4D12E14 |
-45.6 |
6.5 |
-9.2 |
-1.1 |
0 |
|
|
28665 |
828846 |
1 |
OSN5C15H15 |
ABC5D15E15 |
50.97 |
5.19 |
-8.3 |
-0.34 |
0 |
|
|
28666 |
828848 |
1 |
SN2C20H24 |
AB2C20D24 |
48.26 |
8.59 |
-8.1 |
-0.98 |
0 |
|
|
28667 |
828849 |
1 |
OSN5C11H11 |
ABC5D11E11 |
58.02 |
2.17 |
-8.99 |
-0.91 |
0 |
|
|
28668 |
828850 |
1 |
N2O2Cl3H9C12 |
A2B2C3D9E12 |
-57.5 |
5.21 |
-9.82 |
-1.38 |
0 |
|
|
28669 |
828852 |
1 |
SN2H18C19 |
AB2C18D19 |
92.09 |
3.64 |
-8.14 |
-0.22 |
0 |
|
|
28670 |
828854 |
1 |
ClOSN2H15C17 |
ABCD2E15F17 |
24.28 |
3.47 |
-8.32 |
-0.66 |
0 |
|
|
28671 |
828862 |
1 |
SN2C18H18 |
AB2C18D18 |
67.56 |
5.2 |
-8.21 |
-0.32 |
0 |
|
|
28672 |
828864 |
1 |
OSN2H16C17 |
ABC2D16E17 |
34.12 |
5.01 |
-8.2 |
-0.28 |
0 |
|
|
28673 |
828875 |
1 |
OSN2H14C19 |
ABC2D14E19 |
62.24 |
3.93 |
-8.29 |
-0.72 |
0 |
|
|
28674 |
828876 |
1 |
NOC12H17 |
ABC12D17 |
-41.88 |
3.84 |
-9.74 |
-0.22 |
0 |
|
|
28675 |
828883 |
1 |
SN2O2H14C20 |
AB2C2D14E20 |
26.48 |
5.39 |
-8.8 |
-1.27 |
0 |
|
|
28676 |
828889 |
1 |
FN2O3C14H15 |
AB2C3D14E15 |
-149.24 |
5.11 |
-9.39 |
-0.52 |
0 |
|
|
28677 |
828899 |
2 |
NOC9H14 |
ABC9D14 |
-58.13 |
2.0 |
-8.27 |
0.13 |
0 |
|
|
28678 |
828910 |
1 |
ClNSO3H12C13 |
ABCD3E12F13 |
-102.53 |
3.29 |
-9.48 |
-1.13 |
0 |
|
|
28679 |
828912 |
1 |
NO2C22H29 |
AB2C22D29 |
-65.65 |
3.27 |
-8.63 |
0.39 |
0 |
|
|
28680 |
828917 |
2 |
NOC9H15 |
ABC9D15 |
-93.66 |
2.18 |
-8.47 |
0.4 |
0 |
|
|
28681 |
828921 |
1 |
N2O2C17H28 |
A2B2C17D28 |
-83.97 |
2.44 |
-8.5 |
0.39 |
0 |
|
|
28682 |
828932 |
1 |
SO3N4H14C16 |
AB3C4D14E16 |
8.4 |
6.29 |
-8.91 |
-1.29 |
0 |
|
|
28683 |
828934 |
1 |
SN2O3H14C17 |
AB2C3D14E17 |
-28.19 |
4.46 |
-8.69 |
-0.95 |
0 |
|
|
28684 |
828937 |
1 |
SN2O2H14C17 |
AB2C2D14E17 |
3.93 |
3.99 |
-8.89 |
-0.88 |
0 |
|
|
28685 |
828958 |
1 |
O2N4C15H16 |
A2B4C15D16 |
10.24 |
6.26 |
-8.55 |
-0.22 |
0 |
|
|
28686 |
828961 |
1 |
O2N4C13H14 |
A2B4C13D14 |
2.39 |
7.53 |
-8.6 |
-0.23 |
0 |
|
|
28687 |
828973 |
1 |
FNO3C19H20 |
ABC3D19E20 |
-157.49 |
7.58 |
-9.41 |
-0.62 |
0 |
|
|
28688 |
828977 |
1 |
ClN5C11H18 |
AB5C11D18 |
18.63 |
4.82 |
-9.23 |
-0.18 |
0 |
|
|
28689 |
828981 |
1 |
O4N5H11C15 |
A4B5C11D15 |
51.38 |
8.85 |
-9.48 |
-1.36 |
0 |
|
|
28690 |
828991 |
1 |
NSO2C16H19 |
ABC2D16E19 |
-36.04 |
5.15 |
-8.19 |
0.04 |
0 |
|
|
28691 |
828993 |
1 |
NO2C17H21 |
AB2C17D21 |
-35.3 |
3.57 |
-8.8 |
0.1 |
0 |
|
|
28692 |
828994 |
1 |
N3O3C15H17 |
A3B3C15D17 |
-65.16 |
5.57 |
-8.83 |
-1.0 |
0 |
|
|
28693 |
829011 |
1 |
SN2O4C14H20 |
AB2C4D14E20 |
-183.54 |
5.35 |
-8.91 |
-0.84 |
0 |
|
|
28694 |
829012 |
1 |
O2S2N3C16H17 |
A2B2C3D16E17 |
-11.79 |
5.9 |
-9.37 |
-1.19 |
0 |
|
|
28695 |
829013 |
1 |
ClON2C13H17 |
ABC2D13E17 |
-42.79 |
7.1 |
-8.64 |
-0.06 |
0 |
|
|
28696 |
829014 |
1 |
NO3H15C18 |
AB3C15D18 |
-61.92 |
7.84 |
-8.8 |
-0.9 |
0 |
|
|
28697 |
829015 |
1 |
NO3H15C18 |
AB3C15D18 |
-60.74 |
8.79 |
-8.64 |
-1.14 |
0 |
|
|
28698 |
829016 |
1 |
N2O3C18H18 |
A2B3C18D18 |
-67.49 |
6.4 |
-8.56 |
-0.36 |
0 |
|
|
28699 |
829017 |
1 |
N2O3C18H18 |
A2B3C18D18 |
-67.48 |
6.61 |
-8.54 |
-0.36 |
0 |
|
|
28700 |
829042 |
1 |
N2F3O3C16H17 |
A2B3C3D16E17 |
-232.46 |
6.36 |
-9.02 |
-0.29 |
0 |
|
|
28701 |
829048 |
1 |
ClN2O2H13C14 |
AB2C2D13E14 |
-30.11 |
4.73 |
-9.37 |
-0.46 |
0 |
|
|
28702 |
829049 |
1 |
NSO3C13H19 |
ABC3D13E19 |
-124.76 |
5.85 |
-9.39 |
-0.43 |
0 |
|
|
28703 |
829054 |
1 |
SN2O3C17H20 |
AB2C3D17E20 |
-72.35 |
4.45 |
-8.52 |
-0.85 |
0 |
|
|
28704 |
829057 |
1 |
NO5H15C16 |
AB5C15D16 |
-138.39 |
4.01 |
-8.44 |
-0.53 |
0 |
|
|
28705 |
829059 |
1 |
N2O2C15H18 |
A2B2C15D18 |
-2.64 |
1.03 |
-8.42 |
-0.16 |
0 |
|
|
28706 |
829083 |
1 |
OF2N2C13H16 |
AB2C2D13E16 |
-117.8 |
4.66 |
-8.87 |
-0.67 |
0 |
|
|
28707 |
829086 |
1 |
NOF2H11C15 |
ABC2D11E15 |
-68.36 |
4.12 |
-9.06 |
-0.39 |
0 |
|
|
28708 |
829089 |
1 |
NF2O3H15C17 |
AB2C3D15E17 |
-149.07 |
6.3 |
-8.49 |
-0.25 |
0 |
|
|
28709 |
829102 |
1 |
ClOSN4H13C16 |
ABCD4E13F16 |
83.36 |
4.0 |
-9.38 |
-1.15 |
0 |
|
|
28710 |
829103 |
1 |
N3C13H15 |
A3B13C15 |
58.1 |
7.17 |
-9.2 |
-0.24 |
0 |
|
|
28711 |
829104 |
1 |
SN4C9H10 |
AB4C9D10 |
110.54 |
6.33 |
-8.92 |
-1.51 |
0 |
|
|
28712 |
829106 |
1 |
SN2O2C19H20 |
AB2C2D19E20 |
-12.81 |
3.88 |
-8.22 |
-0.25 |
0 |
|
|
28713 |
829108 |
1 |
FN2O2C14H15 |
AB2C2D14E15 |
-93.95 |
5.63 |
-8.89 |
-0.2 |
0 |
|
|
28714 |
829112 |
1 |
NF6H9C10 |
AB6C9D10 |
-315.57 |
5.28 |
-9.16 |
-0.94 |
0 |
|
|
28715 |
829113 |
1 |
OSN3H15C19 |
ABC3D15E19 |
68.42 |
4.12 |
-8.46 |
-0.95 |
0 |
|
|
28716 |
829117 |
1 |
O3N4C16H16 |
A3B4C16D16 |
-25.31 |
5.16 |
-8.76 |
-0.26 |
0 |
|
|
28717 |
829137 |
1 |
FO5H13C18 |
AB5C13D18 |
-175.55 |
6.79 |
-8.94 |
-0.96 |
0 |
|
|
28718 |
829142 |
1 |
O2N3H11C12 |
A2B3C11D12 |
1.58 |
8.9 |
-9.63 |
-1.34 |
0 |
|
|
28719 |
829147 |
1 |
NO2C15H29 |
AB2C15D29 |
-142.3 |
2.53 |
-8.47 |
1.12 |
0 |
|
|
28720 |
829149 |
2 |
NOC10H10 |
ABC10D10 |
-38.55 |
2.45 |
-9.46 |
-0.07 |
0 |
|
|
28721 |
829170 |
1 |
SO2N3H15C17 |
AB2C3D15E17 |
8.87 |
9.42 |
-9.14 |
-0.84 |
0 |
|
|
28722 |
829171 |
1 |
ClOSN3H14C15 |
ABCD3E14F15 |
48.41 |
6.33 |
-8.59 |
-0.98 |
0 |