List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
139813 |
52601535 |
1 |
N2O4C18H23 |
A2B4C18D23 |
-17.8 |
6.66 |
0.0 |
0.0 |
0 |
|
|
139814 |
52601536 |
2 |
NO2C9H11 |
AB2C9D11 |
-42.36 |
6.07 |
-8.79 |
-1.39 |
1 |
|
|
139815 |
52601537 |
1 |
ClNO2C18H23 |
ABC2D18E23 |
-36.33 |
3.17 |
0.0 |
0.0 |
0 |
|
|
139816 |
52601751 |
1 |
O2N4C23H34 |
A2B4C23D34 |
-22.88 |
3.04 |
-8.65 |
-0.55 |
1 |
|
|
139817 |
52601752 |
1 |
O2N4C23H35 |
A2B4C23D35 |
-0.38 |
3.93 |
0.0 |
0.0 |
0 |
|
|
139818 |
52601833 |
2 |
ON2C10H13 |
AB2C10D13 |
-4.6 |
3.76 |
-9.15 |
-0.08 |
0 |
|
|
139819 |
52602080 |
1 |
ClN2O2C16H23 |
AB2C2D16E23 |
-98.46 |
2.24 |
-9.23 |
-0.17 |
1 |
|
|
139820 |
52602081 |
1 |
N3O3C12H22 |
A3B3C12D22 |
-119.65 |
4.71 |
0.0 |
0.0 |
0 |
|
|
139821 |
52602082 |
3 |
NOC4H7 |
ABC4D7 |
-136.92 |
1.88 |
-9.39 |
0.68 |
1 |
|
|
139822 |
52602083 |
1 |
N2O3C16H25 |
A2B3C16D25 |
-98.42 |
7.59 |
0.0 |
0.0 |
0 |
|
|
139823 |
52602148 |
1 |
NSO3C18H29 |
ABC3D18E29 |
-162.98 |
3.36 |
-8.91 |
0.17 |
0 |
|
|
139824 |
52602330 |
1 |
NS2O3C23H27 |
AB2C3D23E27 |
-75.81 |
7.54 |
-8.89 |
-1.04 |
0 |
|
|
139825 |
52602721 |
1 |
NSO4C12H17 |
ABC4D12E17 |
-149.06 |
1.69 |
-8.86 |
0.1 |
0 |
|
|
139826 |
52602839 |
1 |
FN2S2O4H17C19 |
AB2C2D4E17F19 |
-131.28 |
6.44 |
-9.42 |
-1.17 |
0 |
|
|
139827 |
52603475 |
1 |
FN2O4C15H15 |
AB2C4D15E15 |
-144.49 |
1.75 |
-9.59 |
-1.48 |
0 |
|
|
139828 |
52603476 |
1 |
ClFSO3N5H15C20 |
ABCD3E5F15G20 |
-15.39 |
6.43 |
-9.06 |
-1.61 |
0 |
|
|
139829 |
52603477 |
1 |
SN4O4H8C9 |
AB4C4D8E9 |
-50.95 |
7.81 |
-9.74 |
-2.02 |
0 |
|
|
139830 |
52603478 |
1 |
SO2H5N5C8 |
AB2C5D5E8 |
66.14 |
6.58 |
-9.91 |
-2.2 |
0 |
|
|
139831 |
52603522 |
1 |
FSO3N4H11C14 |
ABC3D4E11F14 |
-32.61 |
10.46 |
-9.29 |
-1.86 |
0 |
|
|
139832 |
52603626 |
1 |
N4O5H12C13 |
A4B5C12D13 |
-64.5 |
7.1 |
-9.92 |
-1.47 |
0 |
|
|
139833 |
52604680 |
1 |
BrFN2O4C19H20 |
ABC2D4E19F20 |
-189.43 |
4.29 |
-8.36 |
-1.01 |
1 |
|
|
139834 |
52604971 |
1 |
N3O5C25H34 |
A3B5C25D34 |
-146.86 |
7.78 |
0.0 |
0.0 |
0 |
|
|
139835 |
52606307 |
1 |
N3O3C26H29 |
A3B3C26D29 |
-66.3 |
5.52 |
-9.06 |
-0.74 |
1 |
|
|
139836 |
52606352 |
1 |
SO2N3C26H30 |
AB2C3D26E30 |
-17.1 |
8.41 |
0.0 |
0.0 |
1 |
|
|
139837 |
52606360 |
1 |
N3O4C27H34 |
A3B4C27D34 |
-113.67 |
4.61 |
0.0 |
0.0 |
0 |
|
|
139838 |
52606580 |
1 |
ClF2N2O2C21H23 |
AB2C2D2E21F23 |
-147.42 |
1.33 |
-9.21 |
-0.55 |
0 |
|
|
139839 |
52606677 |
1 |
ClFN3O3C23H27 |
ABC3D3E23F27 |
-145.87 |
2.95 |
-8.86 |
-0.54 |
0 |
|
|
139840 |
52606763 |
1 |
ClFO2N4C23H24 |
ABC2D4E23F24 |
-41.75 |
4.19 |
-9.05 |
-0.72 |
0 |
|
|
139841 |
52606777 |
1 |
ClFO2N4C24H28 |
ABC2D4E24F28 |
-85.38 |
3.86 |
-9.03 |
-0.47 |
0 |
|
|
139842 |
52606778 |
1 |
ClFN2O3C20H24 |
ABC2D3E20F24 |
-138.0 |
4.54 |
-8.58 |
-0.7 |
0 |
|
|
139843 |
52606779 |
1 |
ClFN2O3C20H24 |
ABC2D3E20F24 |
-134.37 |
2.3 |
-8.94 |
-0.53 |
0 |
|
|
139844 |
52606780 |
1 |
ClFO3N4C21H28 |
ABC3D4E21F28 |
-121.43 |
5.05 |
-8.76 |
-0.72 |
0 |
|
|
139845 |
52606781 |
1 |
ClFO3N4C21H28 |
ABC3D4E21F28 |
-121.93 |
4.37 |
-9.27 |
-0.79 |
0 |
|
|
139846 |
52606782 |
1 |
ClFSN3O3C21H21 |
ABCD3E3F21G21 |
-59.89 |
1.53 |
-9.13 |
-1.15 |
0 |
|
|
139847 |
52606783 |
1 |
ClFSN3O3C21H21 |
ABCD3E3F21G21 |
-60.68 |
1.61 |
-9.16 |
-1.18 |
0 |
|
|
139848 |
52606784 |
1 |
ClFO2N4C25H28 |
ABC2D4E25F28 |
-63.97 |
1.89 |
-9.16 |
-0.52 |
1 |
|
|
139849 |
52607475 |
1 |
N3O5C23H28 |
A3B5C23D28 |
-81.18 |
6.21 |
0.0 |
0.0 |
0 |
|
|
139850 |
52607476 |
1 |
N3O5C23H27 |
A3B5C23D27 |
-101.28 |
3.26 |
-9.22 |
-1.7 |
0 |
|
|
139851 |
52607562 |
1 |
ON5C26H31 |
AB5C26D31 |
61.92 |
3.59 |
-8.86 |
-0.4 |
0 |
|
|
139852 |
52608380 |
1 |
FNO4C21H26 |
ABC4D21E26 |
-179.99 |
6.5 |
-8.4 |
-0.22 |
0 |
|
|
139853 |
52608640 |
1 |
SO3N4C22H22 |
AB3C4D22E22 |
-43.68 |
7.55 |
-8.82 |
-0.36 |
0 |
|
|
139854 |
52608815 |
1 |
N2O3C14H28 |
A2B3C14D28 |
-163.74 |
4.56 |
-8.5 |
0.99 |
0 |
|
|
139855 |
52608819 |
1 |
O3N4C20H36 |
A3B4C20D36 |
-161.66 |
5.63 |
-8.69 |
1.04 |
0 |
|
|
139856 |
52609195 |
1 |
O2F3N3C19H26 |
A2B3C3D19E26 |
-243.68 |
3.38 |
-8.95 |
0.17 |
1 |
|
|
139857 |
52609200 |
1 |
ON2F3C18H26 |
AB2C3D18E26 |
-198.29 |
5.91 |
0.0 |
0.0 |
1 |
|
|
139858 |
52609290 |
1 |
N2O2C20H33 |
A2B2C20D33 |
-80.31 |
3.35 |
0.0 |
0.0 |
0 |
|
|
139859 |
52609291 |
2 |
NOC10H16 |
ABC10D16 |
-105.33 |
3.93 |
-8.7 |
0.28 |
1 |
|
|
139860 |
52609292 |
1 |
SN3O3C22H36 |
AB3C3D22E36 |
-107.44 |
4.34 |
0.0 |
0.0 |
1 |
|
|
139861 |
52609298 |
1 |
N2O3C20H33 |
A2B3C20D33 |
-117.55 |
3.87 |
0.0 |
0.0 |
0 |
|
|
139862 |
52609539 |
1 |
F2N2O5C23H28 |
A2B2C5D23E28 |
-293.08 |
2.03 |
-9.29 |
-0.72 |
0 |
|
|
139863 |
52609833 |
1 |
N2F3O3C25H31 |
A2B3C3D25E31 |
-296.59 |
6.62 |
-9.24 |
-0.12 |
1 |
|
|
139864 |
52609941 |
1 |
OSN6C26H35 |
ABC6D26E35 |
63.33 |
5.12 |
0.0 |
0.0 |
1 |
|
|
139865 |
52610121 |
1 |
FO2S2N3C22H29 |
AB2C2D3E22F29 |
-86.78 |
5.93 |
0.0 |
0.0 |
0 |
|
|
139866 |
52610122 |
1 |
FO2S2N3C22H28 |
AB2C2D3E22F28 |
-88.2 |
3.78 |
-9.01 |
-0.45 |
1 |
|
|
139867 |
52610123 |
1 |
FO2S2N3C22H29 |
AB2C2D3E22F29 |
-83.9 |
5.66 |
0.0 |
0.0 |
0 |
|
|
139868 |
52610124 |
1 |
FO2S2N3C22H28 |
AB2C2D3E22F28 |
-92.22 |
3.97 |
-8.81 |
-0.32 |
1 |
|
|
139869 |
52610125 |
1 |
FO2S2N3C22H29 |
AB2C2D3E22F29 |
-90.26 |
8.63 |
0.0 |
0.0 |
1 |
|
|
139870 |
52610175 |
1 |
SN3O3C20H34 |
AB3C3D20E34 |
-128.94 |
3.94 |
0.0 |
0.0 |
0 |
|
|
139871 |
52610188 |
1 |
O2S2N3C23H33 |
A2B2C3D23E33 |
-57.04 |
1.58 |
-8.51 |
-0.4 |
0 |
|
|
139872 |
52610220 |
1 |
SO2N3C22H29 |
AB2C3D22E29 |
-26.17 |
4.68 |
-8.51 |
0.07 |
1 |
|
|
139873 |
52610221 |
1 |
SO2N3C22H30 |
AB2C3D22E30 |
-20.29 |
6.01 |
0.0 |
0.0 |
0 |
|
|
139874 |
52610222 |
1 |
SO2N3C22H29 |
AB2C3D22E29 |
-26.39 |
4.35 |
-8.48 |
0.0 |
1 |
|
|
139875 |
52610235 |
1 |
SN2O2C19H25 |
AB2C2D19E25 |
-32.79 |
4.27 |
0.0 |
0.0 |
0 |
|
|
139876 |
52610684 |
1 |
ON2F3C17H23 |
AB2C3D17E23 |
-199.89 |
5.35 |
-8.78 |
-0.98 |
0 |
|
|
139877 |
52610828 |
1 |
SN3O3C23H39 |
AB3C3D23E39 |
-158.13 |
5.89 |
-8.35 |
-0.62 |
1 |
|
|
139878 |
52610829 |
1 |
O2N4C18H33 |
A2B4C18D33 |
-47.59 |
3.81 |
0.0 |
0.0 |
0 |
|
|
139879 |
52610830 |
2 |
ON2C9H16 |
AB2C9D16 |
-73.7 |
5.28 |
-8.73 |
-0.28 |
0 |
|
|
139880 |
52611247 |
1 |
NSO2C18H23 |
ABC2D18E23 |
-71.03 |
3.45 |
-8.86 |
-0.87 |
1 |
|
|
139881 |
52611248 |
1 |
ClN3O3C23H27 |
AB3C3D23E27 |
-34.04 |
11.6 |
0.0 |
0.0 |
0 |
|
|
139882 |
52611249 |
1 |
ClN3O3C23H26 |
AB3C3D23E26 |
-56.51 |
4.2 |
-8.94 |
-0.6 |
0 |
|
|
139883 |
52611478 |
1 |
ClO2N3C23H36 |
AB2C3D23E36 |
-121.13 |
2.37 |
-8.65 |
-0.67 |
0 |
|
|
139884 |
52611605 |
1 |
ClSN2O5C20H23 |
ABC2D5E20F23 |
-166.13 |
2.38 |
-9.23 |
-0.76 |
-1 |
|
|
139885 |
52611606 |
1 |
N2O5H19C24 |
A2B5C19D24 |
-83.11 |
11.04 |
0.0 |
0.0 |
0 |
|
|
139886 |
52611863 |
1 |
S2N3O3C21H35 |
A2B3C3D21E35 |
-133.18 |
4.66 |
-8.66 |
-0.99 |
1 |
|
|
139887 |
52612423 |
1 |
ON4C22H27 |
AB4C22D27 |
51.09 |
9.77 |
0.0 |
0.0 |
0 |
|
|
139888 |
52613016 |
1 |
O4N5C23H31 |
A4B5C23D31 |
-33.52 |
9.06 |
-9.06 |
-1.12 |
0 |
|
|
139889 |
52613125 |
1 |
ON6H22C26 |
AB6C22D26 |
125.56 |
4.1 |
-8.78 |
-0.78 |
0 |
|
|
139890 |
52613126 |
1 |
O2N6H24C27 |
A2B6C24D27 |
86.29 |
2.77 |
-8.67 |
-0.74 |
0 |
|
|
139891 |
52613257 |
1 |
FON3C23H24 |
ABC3D23E24 |
-0.08 |
1.85 |
-8.7 |
-0.39 |
0 |
|
|
139892 |
52613263 |
1 |
ClFON5C25H25 |
ABCD5E25F25 |
13.63 |
2.64 |
-8.69 |
-0.54 |
0 |
|
|
139893 |
52613264 |
1 |
ClON5H22C23 |
ABC5D22E23 |
65.75 |
5.47 |
-8.75 |
-0.99 |
0 |
|
|
139894 |
52613635 |
1 |
OSF3N7C20H22 |
ABC3D7E20F22 |
-83.13 |
6.01 |
-9.33 |
-1.25 |
0 |
|
|
139895 |
52613754 |
1 |
FSN3O4C24H30 |
ABC3D4E24F30 |
-195.67 |
1.14 |
-8.81 |
-0.87 |
0 |
|
|
139896 |
52613866 |
1 |
SO4N5H17C22 |
AB4C5D17E22 |
-22.99 |
4.63 |
-9.59 |
-1.74 |
0 |
|
|
139897 |
52614043 |
1 |
FN2O3H25C26 |
AB2C3D25E26 |
-118.89 |
5.88 |
-8.29 |
-0.5 |
0 |
|
|
139898 |
52614175 |
1 |
N2O3C20H24 |
A2B3C20D24 |
-98.01 |
3.3 |
-9.3 |
-0.06 |
1 |
|
|
139899 |
52615312 |
1 |
F2O2N3C23H26 |
A2B2C3D23E26 |
-114.99 |
4.84 |
0.0 |
0.0 |
0 |
|
|
139900 |
52615313 |
1 |
F2O2N3C23H25 |
A2B2C3D23E25 |
-133.62 |
3.12 |
-8.67 |
-0.87 |
1 |
|
|
139901 |
52615314 |
1 |
F2O2N3C23H26 |
A2B2C3D23E26 |
-118.09 |
12.89 |
0.0 |
0.0 |
1 |
|
|
139902 |
52615344 |
1 |
FCl2O2N3C22H25 |
AB2C2D3E22F25 |
-107.58 |
6.2 |
0.0 |
0.0 |
1 |
|
|
139903 |
52615556 |
1 |
ClF2O2N3C21H23 |
AB2C2D3E21F23 |
-135.75 |
5.26 |
0.0 |
0.0 |
0 |
|
|
139904 |
52615659 |
1 |
SCl2N2O2C20H20 |
AB2C2D2E20F20 |
-65.71 |
6.03 |
-8.73 |
-0.77 |
0 |
|
|
139905 |
52615828 |
1 |
N2Cl3O3H13C22 |
A2B3C3D13E22 |
-59.02 |
5.64 |
-8.94 |
-1.47 |
0 |
|
|
139906 |
52616408 |
1 |
ClN3O3C24H32 |
AB3C3D24E32 |
-91.45 |
3.31 |
-8.34 |
-0.41 |
0 |
|
|
139907 |
52616691 |
1 |
ClFON3H19C21 |
ABCD3E19F21 |
-28.85 |
7.25 |
-8.87 |
-0.43 |
1 |
|
|
139908 |
52616876 |
1 |
N4O4C24H33 |
A4B4C24D33 |
-87.09 |
1.87 |
0.0 |
0.0 |
0 |
|
|
139909 |
52617009 |
1 |
O2F3N4C24H25 |
A2B3C4D24E25 |
-143.98 |
7.22 |
-9.36 |
-1.09 |
0 |
|
|
139910 |
52617010 |
1 |
F3O3N4C24H25 |
A3B3C4D24E25 |
-179.67 |
2.6 |
-8.96 |
-1.25 |
0 |
|
|
139911 |
52617011 |
1 |
F3O3N4C24H25 |
A3B3C4D24E25 |
-181.05 |
8.79 |
-9.11 |
-1.12 |
0 |
|
|
139912 |
52617012 |
1 |
F3O3N4C22H23 |
A3B3C4D22E23 |
-178.81 |
3.93 |
-9.09 |
-1.16 |
0 |