List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
373792 |
131320107 |
1 |
FSO3H9C11 |
ABC3D9E11 |
-135.64 |
2.63 |
-8.61 |
-0.77 |
0 |
|
|
373793 |
131320112 |
1 |
ClNOSH10C12 |
ABCDE10F12 |
9.02 |
4.12 |
-8.36 |
-0.97 |
0 |
|
|
373794 |
131320118 |
1 |
ON4H6C10 |
AB4C6D10 |
92.6 |
4.68 |
-10.0 |
-1.85 |
0 |
|
|
373795 |
131320132 |
1 |
BrClN2O2F3H3C7 |
ABC2D2E3F3G7 |
-201.42 |
2.7 |
-10.1 |
-1.79 |
0 |
|
|
373796 |
131320137 |
1 |
BrO2S2H9C11 |
AB2C2D9E11 |
-47.13 |
4.67 |
-9.07 |
-1.25 |
0 |
|
|
373797 |
131320140 |
1 |
SCl2F2H6C10 |
AB2C2D6E10 |
-79.6 |
1.36 |
-9.15 |
-1.12 |
0 |
|
|
373798 |
131320143 |
1 |
BrO2S2H9C11 |
AB2C2D9E11 |
-45.72 |
5.25 |
-9.12 |
-1.45 |
0 |
|
|
373799 |
131320155 |
1 |
SCl2F2H6C10 |
AB2C2D6E10 |
-78.14 |
3.22 |
-9.15 |
-1.1 |
0 |
|
|
373800 |
131320157 |
1 |
SCl2F2H6C10 |
AB2C2D6E10 |
-80.39 |
1.94 |
-9.12 |
-1.05 |
0 |
|
|
373801 |
131320171 |
1 |
BrClO2C12H14 |
ABC2D12E14 |
-91.27 |
3.72 |
-9.89 |
-1.01 |
0 |
|
|
373802 |
131320178 |
1 |
ClON3C11H12 |
ABC3D11E12 |
-14.41 |
2.92 |
-8.24 |
0.03 |
0 |
|
|
373803 |
131320195 |
1 |
O2N3C7H9 |
A2B3C7D9 |
-38.02 |
2.44 |
-9.23 |
-1.24 |
0 |
|
|
373804 |
131320210 |
1 |
BrSO3H7C10 |
ABC3D7E10 |
-82.46 |
2.65 |
-9.49 |
-1.6 |
0 |
|
|
373805 |
131320229 |
1 |
BrSF3H6C10 |
ABC3D6E10 |
-115.67 |
2.39 |
-9.28 |
-1.28 |
0 |
|
|
373806 |
131320230 |
1 |
BrSF3H6C10 |
ABC3D6E10 |
-114.85 |
2.39 |
-9.22 |
-1.3 |
0 |
|
|
373807 |
131320243 |
1 |
BrON3C8H8 |
ABC3D8E8 |
19.56 |
4.33 |
-10.04 |
-0.41 |
0 |
|
|
373808 |
131320246 |
1 |
ON3C8H11 |
AB3C8D11 |
7.66 |
2.17 |
-9.18 |
-0.4 |
0 |
|
|
373809 |
131320247 |
1 |
ON3C8H11 |
AB3C8D11 |
37.97 |
1.31 |
-9.82 |
-0.24 |
0 |
|
|
373810 |
131320249 |
1 |
NO2C9H11 |
AB2C9D11 |
-67.85 |
3.64 |
-8.72 |
-0.24 |
0 |
|
|
373811 |
131320279 |
1 |
FSO2C9H9 |
ABC2D9E9 |
-87.9 |
5.19 |
-8.94 |
-0.83 |
0 |
|
|
373812 |
131320293 |
1 |
INOF4H4C8 |
ABCD4E4F8 |
-205.79 |
4.75 |
-10.29 |
-1.8 |
0 |
|
|
373813 |
131320296 |
1 |
IOH3F4C8 |
ABC3D4E8 |
-186.68 |
5.28 |
-10.08 |
-1.69 |
0 |
|
|
373814 |
131320306 |
1 |
NOC9H13 |
ABC9D13 |
-31.62 |
4.9 |
-8.49 |
1.24 |
0 |
|
|
373815 |
131320328 |
1 |
ClFO3H6C10 |
ABC3D6E10 |
-128.09 |
6.28 |
-10.34 |
-1.88 |
0 |
|
|
373816 |
131320332 |
1 |
BrN3C12H16 |
AB3C12D16 |
58.28 |
3.03 |
-8.97 |
-0.57 |
0 |
|
|
373817 |
131320339 |
1 |
ClO3C12H13 |
AB3C12D13 |
-133.1 |
7.1 |
-9.85 |
-0.68 |
0 |
|
|
373818 |
131320350 |
1 |
BrO3C12H13 |
AB3C12D13 |
-121.44 |
8.11 |
-9.7 |
-1.36 |
0 |
|
|
373819 |
131320358 |
1 |
BrO2N3C10H10 |
AB2C3D10E10 |
-16.04 |
5.25 |
-9.19 |
-1.53 |
0 |
|
|
373820 |
131320360 |
1 |
ON2C11H16 |
AB2C11D16 |
-12.47 |
7.05 |
-8.2 |
0.09 |
0 |
|
|
373821 |
131320363 |
1 |
BrO2N3C10H10 |
AB2C3D10E10 |
-10.56 |
1.96 |
-9.52 |
-1.37 |
0 |
|
|
373822 |
131320366 |
1 |
N3C10H19 |
A3B10C19 |
11.93 |
3.22 |
-8.53 |
1.2 |
0 |
|
|
373823 |
131320373 |
1 |
N3C10H19 |
A3B10C19 |
17.46 |
4.02 |
-9.02 |
1.43 |
0 |
|
|
373824 |
131320377 |
1 |
INO2F3H3C9 |
ABC2D3E3F9 |
-163.02 |
3.7 |
-10.76 |
-2.3 |
0 |
|
|
373825 |
131320383 |
1 |
BrNO4H8C10 |
ABC4D8E10 |
-55.95 |
3.64 |
-10.33 |
-1.94 |
0 |
|
|
373826 |
131320385 |
1 |
BrN2O2C10H11 |
AB2C2D10E11 |
5.84 |
3.11 |
-9.78 |
-1.61 |
0 |
|
|
373827 |
131320420 |
1 |
BrOF3H3N3C7 |
ABC3D3E3F7 |
-126.27 |
7.02 |
-9.8 |
-1.6 |
0 |
|
|
373828 |
131320422 |
1 |
BrOF3H3N3C7 |
ABC3D3E3F7 |
-132.98 |
3.95 |
-9.66 |
-1.49 |
0 |
|
|
373829 |
131320449 |
1 |
BrNOC10H10 |
ABCD10E10 |
-27.0 |
3.77 |
-8.94 |
-0.21 |
0 |
|
|
373830 |
131320450 |
1 |
NO4H9C10 |
AB4C9D10 |
-72.44 |
6.21 |
-9.99 |
-1.35 |
0 |
|
|
373831 |
131320452 |
1 |
ClNO3H8C10 |
ABC3D8E10 |
-39.08 |
2.9 |
-10.13 |
-1.76 |
0 |
|
|
373832 |
131320486 |
1 |
BrN2C10H15 |
AB2C10D15 |
3.15 |
4.73 |
-8.78 |
-0.38 |
0 |
|
|
373833 |
131320492 |
1 |
FO3H11C12 |
AB3C11D12 |
-158.16 |
2.88 |
-9.89 |
-1.07 |
0 |
|
|
373834 |
131320493 |
1 |
INF3C11H11 |
ABC3D11E11 |
-139.15 |
2.89 |
-9.76 |
-1.22 |
0 |
|
|
373835 |
131320502 |
1 |
INOH8C11 |
ABCD8E11 |
22.98 |
4.28 |
-9.94 |
-1.46 |
0 |
|
|
373836 |
131320529 |
1 |
N2O2C5H8 |
A2B2C5D8 |
-60.45 |
5.29 |
-10.49 |
-0.49 |
0 |
|
|
373837 |
131320537 |
1 |
ClSO4H7C10 |
ABC4D7E10 |
-129.39 |
3.35 |
-8.89 |
-1.31 |
0 |
|
|
373838 |
131320542 |
1 |
BrNSO2H6C11 |
ABCD2E6F11 |
-5.97 |
4.38 |
-9.41 |
-1.92 |
0 |
|
|
373839 |
131320546 |
1 |
BrNSO2H6C11 |
ABCD2E6F11 |
-7.16 |
5.37 |
-9.34 |
-1.77 |
0 |
|
|
373840 |
131320561 |
1 |
FNOC9H10 |
ABCD9E10 |
-80.7 |
2.73 |
-8.67 |
0.2 |
0 |
|
|
373841 |
131320567 |
1 |
ClSO3H7C11 |
ABC3D7E11 |
-79.71 |
5.81 |
-9.22 |
-1.3 |
0 |
|
|
373842 |
131320582 |
1 |
ClNO2H8C11 |
ABC2D8E11 |
-54.57 |
7.09 |
-9.95 |
-1.66 |
0 |
|
|
373843 |
131320588 |
1 |
ClNO2H8C11 |
ABC2D8E11 |
-47.25 |
4.48 |
-9.63 |
-1.48 |
0 |
|
|
373844 |
131320593 |
1 |
ClNSF3O4H7C8 |
ABCD3E4F7G8 |
-291.22 |
7.9 |
-10.38 |
-1.73 |
0 |
|
|
373845 |
131320596 |
1 |
ClNO2S2F3H5C9 |
ABC2D2E3F5G9 |
-191.37 |
3.94 |
-10.17 |
-2.3 |
0 |
|
|
373846 |
131320612 |
1 |
SN2O4H6C8 |
AB2C4D6E8 |
-111.64 |
5.74 |
-9.64 |
-1.53 |
0 |
|
|
373847 |
131320614 |
1 |
SN2O4H6C8 |
AB2C4D6E8 |
-142.5 |
1.71 |
-9.88 |
-1.6 |
0 |
|
|
373848 |
131320615 |
2 |
NOC6H6 |
ABC6D6 |
-38.44 |
4.56 |
-9.11 |
-0.66 |
0 |
|
|
373849 |
131320621 |
1 |
NSBr2C8H9 |
ABC2D8E9 |
46.73 |
1.37 |
-9.44 |
-0.86 |
0 |
|
|
373850 |
131320639 |
1 |
N3O3C10H13 |
A3B3C10D13 |
-106.41 |
4.89 |
-8.88 |
-0.77 |
0 |
|
|
373851 |
131320643 |
1 |
NO4C11H13 |
AB4C11D13 |
-149.77 |
2.13 |
-8.63 |
-0.62 |
0 |
|
|
373852 |
131320660 |
1 |
BFN2O3C16H24 |
ABC2D3E16F24 |
-242.95 |
3.64 |
-8.62 |
-0.28 |
0 |
|
|
373853 |
131320679 |
1 |
N2O3C10H10 |
A2B3C10D10 |
-44.2 |
4.34 |
-9.81 |
-1.02 |
0 |
|
|
373854 |
131320687 |
1 |
N2O3C10H10 |
A2B3C10D10 |
-63.08 |
5.64 |
-8.96 |
-0.88 |
0 |
|
|
373855 |
131320695 |
1 |
N2O3C10H10 |
A2B3C10D10 |
-33.29 |
9.92 |
-8.48 |
-1.22 |
0 |
|
|
373856 |
131320708 |
1 |
NO3H9C11 |
AB3C9D11 |
-69.52 |
3.1 |
-10.99 |
-1.76 |
0 |
|
|
373857 |
131320709 |
1 |
NO3H9C11 |
AB3C9D11 |
-66.71 |
4.26 |
-10.75 |
-1.74 |
0 |
|
|
373858 |
131320718 |
1 |
ClNO3C11H12 |
ABC3D11E12 |
-46.28 |
7.61 |
-10.18 |
-1.51 |
0 |
|
|
373859 |
131320723 |
1 |
ClNO3C11H12 |
ABC3D11E12 |
-48.43 |
4.17 |
-10.06 |
-1.51 |
0 |
|
|
373860 |
131320743 |
1 |
ClN2C9H17 |
AB2C9D17 |
-10.87 |
1.64 |
-8.84 |
0.7 |
0 |
|
|
373861 |
131320744 |
2 |
FNC4H8 |
ABC4D8 |
-121.52 |
2.47 |
-8.91 |
1.96 |
0 |
|
|
373862 |
131320746 |
1 |
ClN2C10H19 |
AB2C10D19 |
-17.6 |
2.23 |
-8.64 |
0.62 |
0 |
|
|
373863 |
131320747 |
1 |
ON3C9H19 |
AB3C9D19 |
-60.57 |
4.22 |
-8.77 |
0.95 |
0 |
|
|
373864 |
131320758 |
1 |
BrO2F3H8C10 |
AB2C3D8E10 |
-212.47 |
2.0 |
-9.9 |
-1.06 |
0 |
|
|
373865 |
131320762 |
2 |
ClOC5H5 |
ABC5D5 |
-86.9 |
4.81 |
-9.77 |
-0.9 |
0 |
|
|
373866 |
131320781 |
1 |
N2O2H8C9 |
A2B2C8D9 |
-18.37 |
5.08 |
-8.6 |
-0.68 |
0 |
|
|
373867 |
131320787 |
1 |
N2O2H8C9 |
A2B2C8D9 |
-36.78 |
2.82 |
-10.86 |
-1.48 |
0 |
|
|
373868 |
131320813 |
1 |
NO3C10H11 |
AB3C10D11 |
-76.43 |
3.77 |
-8.89 |
-0.4 |
0 |
|
|
373869 |
131320844 |
1 |
BrFNOC11H13 |
ABCDE11F13 |
-58.49 |
3.01 |
-9.48 |
-0.68 |
0 |
|
|
373870 |
131320846 |
1 |
NSO3C11H19 |
ABC3D11E19 |
-160.8 |
7.62 |
-8.82 |
0.49 |
0 |
|
|
373871 |
131320849 |
1 |
ClN3C11H18 |
AB3C11D18 |
4.62 |
2.14 |
-9.55 |
-0.86 |
0 |
|
|
373872 |
131320880 |
1 |
BrOF4H5C9 |
ABC4D5E9 |
-220.74 |
3.09 |
-10.63 |
-1.49 |
0 |
|
|
373873 |
131320887 |
1 |
ClON2C11H11 |
ABC2D11E11 |
1.26 |
2.51 |
-8.83 |
-0.25 |
0 |
|
|
373874 |
131320923 |
1 |
SO2N4H8C9 |
AB2C4D8E9 |
13.86 |
4.34 |
-10.12 |
-2.04 |
0 |
|
|
373875 |
131320931 |
1 |
SN2O3H8C10 |
AB2C3D8E10 |
-47.17 |
3.96 |
-9.63 |
-1.86 |
0 |
|
|
373876 |
131320944 |
1 |
ClN4H9C10 |
AB4C9D10 |
90.15 |
3.01 |
-9.5 |
-1.42 |
0 |
|
|
373877 |
131320964 |
1 |
FN3C9H10 |
AB3C9D10 |
3.77 |
4.72 |
-9.04 |
-0.52 |
0 |
|
|
373878 |
131320968 |
1 |
ON5C7H9 |
AB5C7D9 |
36.85 |
9.24 |
-9.64 |
-0.19 |
0 |
|
|
373879 |
131320969 |
1 |
FNOC10H10 |
ABCD10E10 |
-51.09 |
2.13 |
-9.28 |
-0.2 |
0 |
|
|
373880 |
131320975 |
1 |
O2N3C8H9 |
A2B3C8D9 |
6.22 |
3.39 |
-9.67 |
-0.56 |
0 |
|
|
373881 |
131320988 |
1 |
ClN4H5C9 |
AB4C5D9 |
90.19 |
1.7 |
-9.18 |
-1.69 |
0 |
|
|
373882 |
131320989 |
1 |
ClNSO3C7H10 |
ABCD3E7F10 |
-114.4 |
8.62 |
-9.9 |
-0.64 |
0 |
|
|
373883 |
131320993 |
1 |
ClNOSH6C10 |
ABCDE6F10 |
21.77 |
4.66 |
-9.12 |
-1.25 |
0 |
|
|
373884 |
131320997 |
1 |
BrN3H6C7 |
AB3C6D7 |
92.31 |
5.48 |
-10.15 |
-0.95 |
0 |
|
|
373885 |
131321013 |
1 |
SN2O3H6C10 |
AB2C3D6E10 |
24.33 |
6.9 |
-9.79 |
-1.87 |
0 |
|
|
373886 |
131321029 |
1 |
NSO3H5C10 |
ABC3D5E10 |
-51.29 |
1.51 |
-9.63 |
-1.7 |
0 |
|
|
373887 |
131321040 |
1 |
NSO3H5C10 |
ABC3D5E10 |
-51.92 |
8.45 |
-9.59 |
-1.61 |
0 |
|
|
373888 |
131321042 |
1 |
NSO3H5C10 |
ABC3D5E10 |
-50.67 |
5.3 |
-9.38 |
-1.97 |
0 |
|
|
373889 |
131321062 |
1 |
ISN2O2H5C10 |
ABC2D2E5F10 |
80.86 |
4.79 |
-9.58 |
-2.17 |
0 |
|
|
373890 |
131321068 |
1 |
ISN2O2H5C10 |
ABC2D2E5F10 |
80.47 |
5.18 |
-9.66 |
-2.04 |
0 |
|
|
373891 |
131321073 |
1 |
ClNSO2C11H12 |
ABCD2E11F12 |
-67.75 |
1.97 |
-8.92 |
-1.14 |
0 |