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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
79653 |
49829855 |
1 |
SF2N2O3H16C21 |
AB2C2D3E16F21 |
-95.73 |
9.02 |
-8.4 |
-1.38 |
0 |
|
|
79654 |
49829857 |
2 |
N2O3H8C10 |
A2B3C8D10 |
-43.23 |
4.12 |
-9.6 |
-1.82 |
0 |
|
|
79655 |
49829863 |
1 |
ClSO2N5H18C19 |
ABC2D5E18F19 |
35.43 |
8.73 |
-8.72 |
-1.22 |
0 |
|
|
79656 |
49829868 |
1 |
OSN5C22H23 |
ABC5D22E23 |
76.38 |
5.21 |
-8.62 |
-0.59 |
1 |
|
|
79657 |
49829876 |
1 |
N3O4C23H38 |
A3B4C23D38 |
-158.79 |
6.37 |
0.0 |
0.0 |
1 |
|
|
79658 |
49829880 |
1 |
O4N5C21H34 |
A4B5C21D34 |
-140.59 |
2.94 |
0.0 |
0.0 |
1 |
|
|
79659 |
49829885 |
1 |
SO3N5C19H24 |
AB3C5D19E24 |
-36.69 |
6.26 |
0.0 |
0.0 |
0 |
|
|
79660 |
49829887 |
1 |
IN3O4C14H16 |
AB3C4D14E16 |
-121.03 |
6.93 |
-8.68 |
-0.71 |
0 |
|
|
79661 |
49829888 |
1 |
ClN2S2O5C15H19 |
AB2C2D5E15F19 |
-161.65 |
3.24 |
-9.3 |
-1.34 |
0 |
|
|
79662 |
49829898 |
1 |
BrN4O6C13H17 |
AB4C6D13E17 |
-256.53 |
8.34 |
-9.78 |
-0.96 |
0 |
|
|
79663 |
49829899 |
1 |
BrNO3C21H22 |
ABC3D21E22 |
-105.8 |
4.4 |
-9.32 |
-0.67 |
0 |
|
|
79664 |
49829903 |
1 |
SN2O2C24H36 |
AB2C2D24E36 |
-98.06 |
2.76 |
-8.14 |
0.58 |
0 |
|
|
79665 |
49829906 |
1 |
ClNO5H20C21 |
ABC5D20E21 |
-150.99 |
3.63 |
-9.04 |
-0.42 |
0 |
|
|
79666 |
49829908 |
1 |
FO2S2N4C19H19 |
AB2C2D4E19F19 |
-44.71 |
3.65 |
-8.82 |
-1.39 |
0 |
|
|
79667 |
49829911 |
1 |
SN2O3C22H28 |
AB2C3D22E28 |
-90.84 |
7.79 |
-9.47 |
-0.08 |
0 |
|
|
79668 |
49829912 |
1 |
OSF3N4H15C20 |
ABC3D4E15F20 |
-107.86 |
3.77 |
-9.29 |
-1.31 |
1 |
|
|
79669 |
49829924 |
1 |
SN3O3C22H32 |
AB3C3D22E32 |
-71.99 |
7.01 |
0.0 |
0.0 |
0 |
|
|
79670 |
49829925 |
1 |
SN3O3C22H31 |
AB3C3D22E31 |
-95.28 |
8.03 |
-9.31 |
-0.59 |
0 |
|
|
79671 |
49829926 |
1 |
FN2S2O3C20H23 |
AB2C2D3E20F23 |
-133.05 |
5.24 |
-8.4 |
-1.34 |
1 |
|
|
79672 |
49829929 |
1 |
ClO2N3C22H33 |
AB2C3D22E33 |
-88.74 |
2.96 |
0.0 |
0.0 |
0 |
|
|
79673 |
49829931 |
1 |
SN3O5C19H19 |
AB3C5D19E19 |
-146.2 |
5.21 |
-8.42 |
-0.44 |
0 |
|
|
79674 |
49829932 |
1 |
O4N5H19C21 |
A4B5C19D21 |
-9.11 |
15.16 |
-9.46 |
-1.19 |
-1 |
|
|
79675 |
49829936 |
1 |
N3O3C25H28 |
A3B3C25D28 |
-47.63 |
9.82 |
0.0 |
0.0 |
0 |
|
|
79676 |
49829939 |
1 |
Cl2O2N3C20H21 |
A2B2C3D20E21 |
1.75 |
4.43 |
-8.35 |
-0.67 |
0 |
|
|
79677 |
49829941 |
1 |
SN2O3C24H24 |
AB2C3D24E24 |
-53.75 |
2.77 |
-8.68 |
-1.11 |
0 |
|
|
79678 |
49829944 |
2 |
NO2C12H12 |
AB2C12D12 |
-119.45 |
6.46 |
-8.31 |
-1.31 |
0 |
|
|
79679 |
49829947 |
1 |
ClO3N4C20H23 |
AB3C4D20E23 |
-44.9 |
17.94 |
-8.43 |
-0.37 |
0 |
|
|
79680 |
49829950 |
1 |
SN2O4C22H22 |
AB2C4D22E22 |
-100.02 |
1.8 |
-8.69 |
-1.11 |
1 |
|
|
79681 |
49829958 |
1 |
N2O2C27H35 |
A2B2C27D35 |
-6.69 |
5.82 |
0.0 |
0.0 |
0 |
|
|
79682 |
49829965 |
1 |
FN4O4H19C22 |
AB4C4D19E22 |
-158.6 |
3.63 |
-9.38 |
-0.96 |
0 |
|
|
79683 |
49829969 |
1 |
N2O3H22C26 |
A2B3C22D26 |
28.72 |
5.35 |
-8.97 |
-0.69 |
1 |
|
|
79684 |
49829971 |
1 |
BrO2N4C18H20 |
AB2C4D18E20 |
-16.27 |
9.83 |
0.0 |
0.0 |
1 |
|
|
79685 |
49829978 |
1 |
N4O5C20H29 |
A4B5C20D29 |
-141.4 |
4.91 |
0.0 |
0.0 |
0 |
|
|
79686 |
49829980 |
1 |
SN2O4H20C22 |
AB2C4D20E22 |
-72.45 |
2.78 |
-8.54 |
-1.13 |
0 |
|
|
79687 |
49829982 |
1 |
ClN2O5C21H23 |
AB2C5D21E23 |
-153.65 |
7.62 |
-8.53 |
-0.81 |
0 |
|
|
79688 |
49829988 |
1 |
NO6C23H35 |
AB6C23D35 |
-260.21 |
4.98 |
-7.98 |
0.0 |
1 |
|
|
79689 |
49829990 |
1 |
NS2O5C19H30 |
AB2C5D19E30 |
-198.45 |
6.77 |
0.0 |
0.0 |
-1 |
|
|
79690 |
49829994 |
1 |
SN3O5H16C20 |
AB3C5D16E20 |
-56.6 |
4.23 |
0.0 |
0.0 |
0 |
|
|
79691 |
49829999 |
1 |
SN2O5C20H28 |
AB2C5D20E28 |
-198.63 |
4.59 |
-9.61 |
-1.3 |
0 |
|
|
79692 |
49830000 |
1 |
FN3O3C23H24 |
AB3C3D23E24 |
-100.93 |
2.4 |
-9.29 |
-0.51 |
2 |
|
|
79693 |
49830008 |
1 |
N7C23H27 |
A7B23C27 |
164.51 |
9.59 |
-6.33 |
-1.05 |
1 |
|
|
79694 |
49830009 |
1 |
N7C23H26 |
A7B23C26 |
125.74 |
1.5 |
0.0 |
0.0 |
1 |
|
|
79695 |
49830010 |
1 |
N3O5C21H26 |
A3B5C21D26 |
-139.01 |
8.89 |
0.0 |
0.0 |
0 |
|
|
79696 |
49830012 |
1 |
ClSN2O3C21H23 |
ABC2D3E21F23 |
-90.84 |
4.65 |
-8.5 |
-1.09 |
0 |
|
|
79697 |
49830013 |
1 |
O3N6C21H26 |
A3B6C21D26 |
-61.98 |
7.16 |
-8.34 |
-0.42 |
-1 |
|
|
79698 |
49830017 |
1 |
O4N7C19H22 |
A4B7C19D22 |
11.98 |
14.61 |
0.0 |
0.0 |
1 |
|
|
79699 |
49830024 |
1 |
BrN2O2C21H26 |
AB2C2D21E26 |
-13.41 |
13.0 |
0.0 |
0.0 |
1 |
|
|
79700 |
49830025 |
1 |
ON5C24H32 |
AB5C24D32 |
4.84 |
3.12 |
0.0 |
0.0 |
0 |
|
|
79701 |
49830029 |
1 |
SO3N4C20H26 |
AB3C4D20E26 |
-97.16 |
5.91 |
-8.82 |
-0.59 |
2 |
|
|
79702 |
49830030 |
1 |
O2N3C25H31 |
A2B3C25D31 |
68.11 |
21.76 |
-4.32 |
-1.64 |
0 |
|
|
79703 |
49830033 |
1 |
N2O5H22C23 |
A2B5C22D23 |
-148.86 |
5.78 |
-8.81 |
-0.8 |
0 |
|
|
79704 |
49830037 |
1 |
FSN4O4C19H19 |
ABC4D4E19F19 |
-118.51 |
4.41 |
-8.97 |
-0.82 |
0 |
|
|
79705 |
49830040 |
1 |
ClSN2O2H21C22 |
ABC2D2E21F22 |
-32.08 |
6.28 |
-8.5 |
-1.47 |
2 |
|
|
79706 |
49830044 |
1 |
ClON3C23H40 |
ABC3D23E40 |
-40.94 |
6.35 |
-7.01 |
0.44 |
-1 |
|
|
79707 |
49830051 |
1 |
SN3O6H16C19 |
AB3C6D16E19 |
-128.53 |
12.32 |
0.0 |
0.0 |
1 |
|
|
79708 |
49830061 |
1 |
FN2O4H22C23 |
AB2C4D22E23 |
-113.72 |
6.64 |
0.0 |
0.0 |
0 |
|
|
79709 |
49830068 |
1 |
N2O5H22C24 |
A2B5C22D24 |
-118.71 |
7.61 |
-9.13 |
-1.58 |
1 |
|
|
79710 |
49830073 |
1 |
O3N5C23H30 |
A3B5C23D30 |
-90.24 |
4.11 |
0.0 |
0.0 |
0 |
|
|
79711 |
49830080 |
1 |
SN3O3C21H33 |
AB3C3D21E33 |
-137.73 |
8.3 |
-8.96 |
-0.35 |
0 |
|
|
79712 |
49830082 |
1 |
Cl2N2O3H16C21 |
A2B2C3D16E21 |
-56.86 |
4.54 |
-9.33 |
-1.47 |
1 |
|
|
79713 |
49830086 |
1 |
ClN3O4C21H27 |
AB3C4D21E27 |
-157.84 |
3.31 |
0.0 |
0.0 |
0 |
|
|
79714 |
49830094 |
1 |
NO4C25H27 |
AB4C25D27 |
-117.53 |
4.48 |
-8.83 |
-0.59 |
2 |
|
|
79715 |
49830095 |
1 |
FO2N3C23H36 |
AB2C3D23E36 |
-90.49 |
18.8 |
-5.83 |
0.45 |
1 |
|
|
79716 |
49830110 |
1 |
FSO3N4C20H20 |
ABC3D4E20F20 |
-3.89 |
8.82 |
0.0 |
0.0 |
0 |
|
|
79717 |
49830119 |
1 |
O2S3N5H15C17 |
A2B3C5D15E17 |
52.04 |
5.7 |
-8.54 |
-1.28 |
0 |
|
|
79718 |
49830120 |
1 |
SO2F3N5C17H20 |
AB2C3D5E17F20 |
-126.59 |
6.75 |
-9.64 |
-0.99 |
1 |
|
|
79719 |
49830121 |
1 |
FO2N4H20C23 |
AB2C4D20E23 |
25.77 |
2.97 |
0.0 |
0.0 |
0 |
|
|
79720 |
49830126 |
1 |
ClN3O4H18C22 |
AB3C4D18E22 |
-84.4 |
11.02 |
-9.42 |
-1.52 |
1 |
|
|
79721 |
49830127 |
1 |
SO2N5C20H26 |
AB2C5D20E26 |
-11.51 |
4.12 |
0.0 |
0.0 |
1 |
|
|
79722 |
49830136 |
1 |
FO2N5C22H25 |
AB2C5D22E25 |
-22.2 |
0.78 |
0.0 |
0.0 |
0 |
|
|
79723 |
49830142 |
1 |
BrN2O2F3C16H16 |
AB2C2D3E16F16 |
-199.68 |
6.27 |
-9.84 |
-0.82 |
2 |
|
|
79724 |
49830155 |
1 |
ClON4C23H37 |
ABC4D23E37 |
4.42 |
14.11 |
-7.39 |
-0.05 |
1 |
|
|
79725 |
49830159 |
1 |
O3N4C22H35 |
A3B4C22D35 |
-111.83 |
4.05 |
0.0 |
0.0 |
0 |
|
|
79726 |
49830165 |
1 |
S2N3O4C18H21 |
A2B3C4D18E21 |
-106.77 |
11.53 |
-8.98 |
-0.85 |
0 |
|
|
79727 |
49830166 |
1 |
N3O3S3C17H21 |
A3B3C3D17E21 |
-83.37 |
4.03 |
-8.57 |
-1.52 |
0 |
|
|
79728 |
49830169 |
1 |
N3O4H21C23 |
A3B4C21D23 |
-74.76 |
8.76 |
-8.48 |
-1.74 |
0 |
|
|
79729 |
49830173 |
1 |
ClSN2O3H15C21 |
ABC2D3E15F21 |
-35.98 |
4.82 |
-8.96 |
-1.55 |
1 |
|
|
79730 |
49830177 |
1 |
ClFO2N3H20C23 |
ABC2D3E20F23 |
-9.62 |
4.26 |
0.0 |
0.0 |
0 |
|
|
79731 |
49830178 |
1 |
SO2N3C24H27 |
AB2C3D24E27 |
-50.58 |
4.64 |
-8.94 |
-0.56 |
-1 |
|
|
79732 |
49830180 |
1 |
ClSN3O3H17C20 |
ABC3D3E17F20 |
-5.43 |
3.34 |
0.0 |
0.0 |
0 |
|
|
79733 |
49830181 |
1 |
ClSN3O3H18C20 |
ABC3D3E18F20 |
-50.86 |
4.94 |
-9.02 |
-1.39 |
0 |
|
|
79734 |
49830183 |
1 |
N2O5C23H26 |
A2B5C23D26 |
-178.1 |
3.13 |
-8.77 |
-0.35 |
1 |
|
|
79735 |
49830186 |
1 |
NO2C28H34 |
AB2C28D34 |
-2.14 |
1.94 |
0.0 |
0.0 |
0 |
|
|
79736 |
49830188 |
1 |
N4O5H20C21 |
A4B5C20D21 |
-118.19 |
10.03 |
-8.63 |
-1.23 |
0 |
|
|
79737 |
49830198 |
1 |
NOC17H23 |
ABC17D23 |
-22.99 |
3.01 |
-8.57 |
0.31 |
0 |
|
|
79738 |
49830199 |
1 |
O2N3C29H33 |
A2B3C29D33 |
-15.85 |
5.95 |
-8.05 |
-0.12 |
0 |
|
|
79739 |
49830202 |
1 |
NO2C22H23 |
AB2C22D23 |
-24.98 |
2.44 |
-8.9 |
-0.21 |
0 |
|
|
79740 |
49830217 |
1 |
OF3N5C18H20 |
AB3C5D18E20 |
-142.82 |
6.43 |
-9.12 |
-0.59 |
0 |
|
|
79741 |
49830219 |
2 |
ON4C14H18 |
AB4C14D18 |
-13.36 |
8.39 |
-8.67 |
-0.58 |
0 |
|
|
79742 |
49830220 |
1 |
O2S2N3C21H29 |
A2B2C3D21E29 |
-61.16 |
9.71 |
-8.43 |
-0.23 |
0 |
|
|
79743 |
49830221 |
1 |
S2N3O4C27H39 |
A2B3C4D27E39 |
-175.48 |
4.32 |
-8.26 |
-0.06 |
0 |
|
|
79744 |
49830230 |
1 |
NO4C19H19 |
AB4C19D19 |
-100.06 |
3.82 |
-8.27 |
-0.65 |
0 |
|
|
79745 |
49830237 |
1 |
BrN3O3C27H30 |
AB3C3D27E30 |
-67.88 |
9.53 |
-8.68 |
-0.54 |
0 |
|
|
79746 |
49830239 |
1 |
FN3O4C24H24 |
AB3C4D24E24 |
-133.38 |
10.78 |
-8.0 |
-0.73 |
0 |
|
|
79747 |
49830241 |
1 |
BrN3O3H22C23 |
AB3C3D22E23 |
-45.57 |
4.38 |
-8.85 |
-0.6 |
0 |
|
|
79748 |
49830242 |
1 |
BrN3O3C24H24 |
AB3C3D24E24 |
-52.98 |
6.02 |
-8.59 |
-0.55 |
0 |
|
|
79749 |
49830250 |
1 |
ClN3O4C24H24 |
AB3C4D24E24 |
-96.64 |
4.07 |
-8.36 |
-0.47 |
0 |
|
|
79750 |
49830253 |
1 |
O3N4H24C25 |
A3B4C24D25 |
-2.14 |
4.18 |
-8.28 |
-0.76 |
0 |
|
|
79751 |
49830255 |
1 |
ON4C23H28 |
AB4C23D28 |
21.52 |
4.14 |
-8.02 |
-0.51 |
0 |
|
|
79752 |
49830257 |
1 |
OSN4H20C21 |
ABC4D20E21 |
72.9 |
3.44 |
-8.02 |
-0.37 |
0 |