List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
374793 |
131344815 |
1 |
N5H9C11 |
A5B9C11 |
100.17 |
2.57 |
-9.4 |
-1.23 |
0 |
|
|
374794 |
131344933 |
2 |
N2C4H5 |
A2B4C5 |
59.98 |
10.29 |
-9.57 |
0.01 |
0 |
|
|
374795 |
131344939 |
1 |
ClNO3H8C10 |
ABC3D8E10 |
-80.12 |
2.44 |
-10.29 |
-1.46 |
0 |
|
|
374796 |
131345214 |
1 |
ClSO2C12H13 |
ABC2D12E13 |
-53.35 |
2.84 |
-8.47 |
-0.5 |
0 |
|
|
374797 |
131345363 |
1 |
ON3C5H5 |
AB3C5D5 |
59.65 |
3.74 |
-10.69 |
-0.43 |
0 |
|
|
374798 |
131345497 |
1 |
ISO3H7C10 |
ABC3D7E10 |
-74.39 |
4.02 |
-8.94 |
-1.4 |
0 |
|
|
374799 |
131345536 |
1 |
ON4C8H8 |
AB4C8D8 |
41.26 |
2.17 |
-9.64 |
-1.29 |
0 |
|
|
374800 |
131345537 |
1 |
ON4C8H8 |
AB4C8D8 |
33.38 |
5.81 |
-8.89 |
-0.43 |
0 |
|
|
374801 |
131345985 |
1 |
NO3C10H13 |
AB3C10D13 |
-101.65 |
2.68 |
-8.27 |
-0.15 |
0 |
|
|
374802 |
131346074 |
1 |
NO2F3C10H12 |
AB2C3D10E12 |
-239.16 |
2.22 |
-9.5 |
-0.77 |
0 |
|
|
374803 |
131346288 |
1 |
Cl2N2O2H6C9 |
A2B2C2D6E9 |
-51.03 |
2.45 |
-9.6 |
-1.23 |
0 |
|
|
374804 |
131346349 |
1 |
ClFSO3H6C10 |
ABCD3E6F10 |
-141.18 |
5.16 |
-9.32 |
-1.34 |
0 |
|
|
374805 |
131346864 |
1 |
BrSO3H7C11 |
ABC3D7E11 |
-60.69 |
2.67 |
-9.18 |
-1.68 |
0 |
|
|
374806 |
131346990 |
1 |
OBr2F4H4C8 |
AB2C4D4E8 |
-223.63 |
2.23 |
-10.01 |
-1.36 |
0 |
|
|
374807 |
131347186 |
1 |
BrNSH10C12 |
ABCD10E12 |
53.69 |
2.54 |
-8.81 |
-1.11 |
0 |
|
|
374808 |
131347199 |
1 |
ClFNSH7C11 |
ABCDE7F11 |
8.41 |
2.01 |
-9.05 |
-1.11 |
0 |
|
|
374809 |
131347220 |
1 |
SN2C8H12 |
AB2C8D12 |
40.56 |
3.16 |
-9.3 |
-0.6 |
0 |
|
|
374810 |
131347558 |
1 |
BrClNOF2H5C9 |
ABCDE2F5G9 |
-101.37 |
4.63 |
-9.92 |
-1.09 |
0 |
|
|
374811 |
131347757 |
1 |
ON2C13H22 |
AB2C13D22 |
-48.42 |
2.18 |
-9.04 |
0.47 |
0 |
|
|
374812 |
131347833 |
1 |
BrClN2O3H8C9 |
ABC2D3E8F9 |
-14.66 |
4.67 |
-9.63 |
-1.75 |
0 |
|
|
374813 |
131347878 |
1 |
BrSO3H7C11 |
ABC3D7E11 |
-63.11 |
4.75 |
-9.37 |
-1.38 |
0 |
|
|
374814 |
131347888 |
1 |
BrSO3H7C11 |
ABC3D7E11 |
-63.8 |
4.87 |
-9.21 |
-1.86 |
0 |
|
|
374815 |
131347894 |
1 |
BrSO3H7C11 |
ABC3D7E11 |
-63.0 |
4.55 |
-9.41 |
-1.48 |
0 |
|
|
374816 |
131347895 |
1 |
BrSO3H7C11 |
ABC3D7E11 |
-65.36 |
4.19 |
-9.33 |
-1.45 |
0 |
|
|
374817 |
131347897 |
1 |
BrSO3H7C11 |
ABC3D7E11 |
-64.52 |
1.14 |
-9.42 |
-1.68 |
0 |
|
|
374818 |
131347900 |
1 |
N2O3C7H10 |
A2B3C7D10 |
-75.16 |
2.22 |
-9.3 |
0.09 |
0 |
|
|
374819 |
131347901 |
1 |
N2O3C7H10 |
A2B3C7D10 |
-96.75 |
1.68 |
-9.76 |
-0.48 |
0 |
|
|
374820 |
131347903 |
1 |
BrSO3H7C11 |
ABC3D7E11 |
-67.07 |
1.87 |
-9.33 |
-1.93 |
0 |
|
|
374821 |
131348144 |
1 |
N2O2H10C11 |
A2B2C10D11 |
-36.93 |
2.69 |
-8.72 |
-1.09 |
0 |
|
|
374822 |
131348154 |
1 |
SF2N2H8C11 |
AB2C2D8E11 |
-40.91 |
1.75 |
-8.67 |
-1.09 |
0 |
|
|
374823 |
131348157 |
1 |
SF2N2H8C11 |
AB2C2D8E11 |
-39.66 |
7.11 |
-8.72 |
-0.76 |
0 |
|
|
374824 |
131348276 |
1 |
BrSO3H7C10 |
ABC3D7E10 |
-90.15 |
5.94 |
-9.12 |
-1.6 |
0 |
|
|
374825 |
131348433 |
1 |
FSN2O2C10H15 |
ABC2D2E10F15 |
-114.68 |
5.17 |
-9.77 |
-0.79 |
0 |
|
|
374826 |
131348434 |
1 |
ON2H10C12 |
AB2C10D12 |
21.59 |
5.76 |
-8.77 |
-0.35 |
0 |
|
|
374827 |
131348471 |
1 |
N4C11H12 |
A4B11C12 |
68.35 |
4.69 |
-9.69 |
-1.17 |
0 |
|
|
374828 |
131348472 |
1 |
N4C7H8 |
A4B7C8 |
77.43 |
4.45 |
-9.91 |
-1.49 |
0 |
|
|
374829 |
131348479 |
1 |
ClO2N4H7C9 |
AB2C4D7E9 |
-6.86 |
8.87 |
-9.73 |
-1.68 |
0 |
|
|
374830 |
131348951 |
1 |
ClON2C9H9 |
ABC2D9E9 |
2.92 |
7.78 |
-8.8 |
-0.66 |
0 |
|
|
374831 |
131348967 |
1 |
INOF2H4C7 |
ABCD2E4F7 |
-90.46 |
3.67 |
-10.18 |
-1.63 |
0 |
|
|
374832 |
131349019 |
1 |
BrN2C11H13 |
AB2C11D13 |
52.13 |
5.21 |
-9.46 |
-0.23 |
0 |
|
|
374833 |
131349353 |
1 |
ClNO3C8H8 |
ABC3D8E8 |
-100.89 |
2.42 |
-9.57 |
-1.23 |
0 |
|
|
374834 |
131349405 |
1 |
NOF2C7H9 |
ABC2D7E9 |
-133.57 |
2.52 |
-10.82 |
0.19 |
0 |
|
|
374835 |
131349474 |
1 |
SF2O3H8C10 |
AB2C3D8E10 |
-198.65 |
2.81 |
-8.79 |
-0.74 |
0 |
|
|
374836 |
131349475 |
1 |
SF2O3H8C10 |
AB2C3D8E10 |
-197.72 |
1.75 |
-8.78 |
-0.8 |
0 |
|
|
374837 |
131349481 |
1 |
SF2O2H8C11 |
AB2C2D8E11 |
-141.74 |
4.48 |
-8.97 |
-1.01 |
0 |
|
|
374838 |
131349487 |
1 |
SF2O2H8C11 |
AB2C2D8E11 |
-136.68 |
4.09 |
-8.84 |
-1.1 |
0 |
|
|
374839 |
131349496 |
1 |
SF2O2H8C11 |
AB2C2D8E11 |
-139.87 |
5.22 |
-8.8 |
-1.23 |
0 |
|
|
374840 |
131349499 |
1 |
OSN2C8H10 |
ABC2D8E10 |
6.57 |
2.35 |
-8.23 |
-0.28 |
0 |
|
|
374841 |
131349502 |
1 |
OSN2C8H10 |
ABC2D8E10 |
19.01 |
1.56 |
-9.2 |
-0.64 |
0 |
|
|
374842 |
131349505 |
1 |
OSN2C8H10 |
ABC2D8E10 |
10.77 |
2.15 |
-8.6 |
-0.39 |
0 |
|
|
374843 |
131349507 |
1 |
N2O3C10H12 |
A2B3C10D12 |
-98.49 |
2.23 |
-9.08 |
-1.21 |
0 |
|
|
374844 |
131349508 |
1 |
N2O3C10H12 |
A2B3C10D12 |
-85.9 |
1.27 |
-8.62 |
-0.7 |
0 |
|
|
374845 |
131349510 |
1 |
ON3C11H11 |
AB3C11D11 |
23.97 |
2.7 |
-9.88 |
-0.7 |
0 |
|
|
374846 |
131349515 |
1 |
N6C9H10 |
A6B9C10 |
120.03 |
5.86 |
-9.32 |
-0.68 |
0 |
|
|
374847 |
131349518 |
1 |
BrNOH6C9 |
ABCD6E9 |
44.72 |
4.13 |
-10.1 |
-1.28 |
0 |
|
|
374848 |
131349520 |
1 |
N5H7C10 |
A5B7C10 |
133.27 |
3.81 |
-9.27 |
-1.65 |
0 |
|
|
374849 |
131349521 |
1 |
BrN2H9C13 |
AB2C9D13 |
76.55 |
2.8 |
-9.74 |
-0.82 |
0 |
|
|
374850 |
131349522 |
1 |
BrN2H9C13 |
AB2C9D13 |
76.78 |
5.61 |
-9.56 |
-0.99 |
0 |
|
|
374851 |
131349550 |
1 |
BrNOF3H7C10 |
ABCD3E7F10 |
-168.65 |
1.15 |
-10.12 |
-1.48 |
0 |
|
|
374852 |
131349551 |
1 |
BrNO2C10H10 |
ABC2D10E10 |
-51.05 |
2.46 |
-9.32 |
-1.03 |
0 |
|
|
374853 |
131349553 |
1 |
BrClNOH7C9 |
ABCDE7F9 |
-19.36 |
2.83 |
-9.77 |
-1.28 |
0 |
|
|
374854 |
131349554 |
1 |
BrFNOH7C9 |
ABCDE7F9 |
-54.54 |
2.35 |
-9.97 |
-1.32 |
0 |
|
|
374855 |
131349555 |
1 |
BrFNOH7C9 |
ABCDE7F9 |
-57.12 |
2.79 |
-9.82 |
-1.3 |
0 |
|
|
374856 |
131349558 |
1 |
BrN2O3H7C9 |
AB2C3D7E9 |
-9.05 |
1.73 |
-10.19 |
-1.91 |
0 |
|
|
374857 |
131349560 |
1 |
ClINOH7C9 |
ABCDE7F9 |
-3.73 |
2.79 |
-9.87 |
-1.55 |
0 |
|
|
374858 |
131349566 |
1 |
NO2C11H15 |
AB2C11D15 |
-67.7 |
4.16 |
-8.59 |
0.23 |
0 |
|
|
374859 |
131349568 |
1 |
ClNOF2H6C8 |
ABCD2E6F8 |
-116.34 |
1.89 |
-9.38 |
-0.76 |
0 |
|
|
374860 |
131349569 |
1 |
NO4C11H15 |
AB4C11D15 |
-127.94 |
4.46 |
-8.83 |
0.11 |
0 |
|
|
374861 |
131349570 |
1 |
NSO2Cl3C9H10 |
ABC2D3E9F10 |
-86.13 |
3.47 |
-9.5 |
-0.73 |
0 |
|
|
374862 |
131349574 |
1 |
ON2C13H18 |
AB2C13D18 |
-13.97 |
5.33 |
-8.86 |
0.57 |
0 |
|
|
374863 |
131349575 |
1 |
NO3H9C11 |
AB3C9D11 |
-37.68 |
5.43 |
-8.68 |
-0.67 |
0 |
|
|
374864 |
131349577 |
1 |
NO3H9C11 |
AB3C9D11 |
-50.76 |
1.58 |
-8.85 |
-0.7 |
0 |
|
|
374865 |
131349578 |
1 |
NO3H9C11 |
AB3C9D11 |
-72.7 |
4.28 |
-9.16 |
-1.16 |
0 |
|
|
374866 |
131349580 |
1 |
NO3H9C11 |
AB3C9D11 |
-71.6 |
9.34 |
-8.61 |
-1.23 |
0 |
|
|
374867 |
131349585 |
1 |
OSN3C10H13 |
ABC3D10E13 |
14.68 |
3.06 |
-9.15 |
-0.98 |
0 |
|
|
374868 |
131349587 |
1 |
OSN3C10H13 |
ABC3D10E13 |
9.56 |
4.15 |
-9.22 |
-0.59 |
0 |
|
|
374869 |
131349590 |
1 |
NSO2C11H13 |
ABC2D11E13 |
-38.72 |
5.84 |
-8.39 |
-0.67 |
0 |
|
|
374870 |
131349594 |
1 |
BrN2O2C6H7 |
AB2C2D6E7 |
-48.43 |
4.15 |
-9.62 |
-0.12 |
0 |
|
|
374871 |
131349606 |
1 |
BrN2C12H13 |
AB2C12D13 |
54.9 |
3.37 |
-8.93 |
0.11 |
0 |
|
|
374872 |
131349608 |
1 |
N4C11H16 |
A4B11C16 |
44.74 |
3.47 |
-8.41 |
0.38 |
0 |
|
|
374873 |
131349611 |
1 |
N4C11H16 |
A4B11C16 |
42.83 |
2.76 |
-8.33 |
0.55 |
0 |
|
|
374874 |
131349614 |
1 |
ClN4H9C10 |
AB4C9D10 |
72.68 |
3.53 |
-8.34 |
-0.57 |
0 |
|
|
374875 |
131349615 |
1 |
ClOSF2H5C10 |
ABCD2E5F10 |
-98.86 |
2.71 |
-9.44 |
-1.77 |
0 |
|
|
374876 |
131349617 |
1 |
ClOSF2H5C10 |
ABCD2E5F10 |
-98.0 |
3.26 |
-9.42 |
-1.41 |
0 |
|
|
374877 |
131349618 |
1 |
ClN4H9C10 |
AB4C9D10 |
69.04 |
4.21 |
-8.15 |
-0.68 |
0 |
|
|
374878 |
131349622 |
1 |
BrOSF2H7C10 |
ABCD2E7F10 |
-110.93 |
2.82 |
-9.08 |
-1.12 |
0 |
|
|
374879 |
131349627 |
1 |
OF2N2C10H10 |
AB2C2D10E10 |
-101.11 |
4.92 |
-9.49 |
-0.54 |
0 |
|
|
374880 |
131349628 |
1 |
BrOSF2H7C10 |
ABCD2E7F10 |
-109.28 |
3.69 |
-8.83 |
-1.18 |
0 |
|
|
374881 |
131349633 |
1 |
SN2O4C7H14 |
AB2C4D7E14 |
-173.03 |
4.57 |
-10.01 |
-0.03 |
0 |
|
|
374882 |
131349636 |
1 |
N2F5H7C8 |
A2B5C7D8 |
-222.09 |
1.84 |
-10.29 |
-0.39 |
0 |
|
|
374883 |
131349639 |
1 |
BrN2F5H6C8 |
AB2C5D6E8 |
-230.9 |
4.5 |
-10.3 |
-1.13 |
0 |
|
|
374884 |
131349643 |
1 |
NOF5H8C9 |
ABC5D8E9 |
-279.99 |
1.84 |
-9.37 |
-0.23 |
0 |
|
|
374885 |
131349650 |
1 |
O2F3H7C8 |
A2B3C7D8 |
-225.32 |
3.52 |
-9.56 |
-0.36 |
0 |
|
|
374886 |
131349651 |
1 |
O2F3H7C8 |
A2B3C7D8 |
-222.23 |
1.75 |
-9.22 |
-0.52 |
0 |
|
|
374887 |
131349652 |
1 |
ISN2O2H5C10 |
ABC2D2E5F10 |
80.94 |
5.82 |
-9.56 |
-2.12 |
0 |
|
|
374888 |
131349653 |
1 |
ISN2O2H5C10 |
ABC2D2E5F10 |
80.36 |
4.9 |
-9.56 |
-2.12 |
0 |
|
|
374889 |
131349655 |
1 |
ISN2O2H5C10 |
ABC2D2E5F10 |
78.77 |
3.17 |
-9.63 |
-1.97 |
0 |
|
|
374890 |
131349667 |
1 |
BrON3H6C10 |
ABC3D6E10 |
50.75 |
2.89 |
-9.82 |
-1.18 |
0 |
|
|
374891 |
131349675 |
2 |
NO2H4C5 |
AB2C4D5 |
-42.25 |
4.8 |
-10.57 |
-1.98 |
0 |
|
|
374892 |
131349676 |
2 |
NO2H4C5 |
AB2C4D5 |
-45.08 |
5.27 |
-10.65 |
-1.8 |
0 |