List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
18827 |
548733 |
1 |
CrN2O2H5F7C9 |
AB2C2D5E7F9 |
-269.13 |
5.29 |
-9.34 |
-1.85 |
-8 |
|
|
18828 |
548764 |
2 |
OC5H6 |
AB5C6 |
-43.65 |
5.03 |
-10.1 |
0.63 |
0 |
|
|
18829 |
548798 |
1 |
NC9H9 |
AB9C9 |
73.62 |
3.66 |
-10.21 |
0.47 |
0 |
|
|
18830 |
548800 |
3 |
C5H6 |
A5B6 |
47.45 |
0.79 |
-9.23 |
1.33 |
0 |
|
|
18831 |
548801 |
1 |
ClHgO2C8H9 |
ABC2D8E9 |
-20.05 |
7.26 |
-8.94 |
-0.95 |
0 |
|
|
18832 |
548803 |
1 |
O2N3C5H5 |
A2B3C5D5 |
19.79 |
5.79 |
-9.98 |
-1.42 |
0 |
|
|
18833 |
548854 |
1 |
ON2C6H8 |
AB2C6D8 |
33.24 |
4.88 |
-10.48 |
-0.23 |
0 |
|
|
18834 |
548858 |
6 |
C2H3 |
A2B3 |
5.84 |
0.49 |
-9.99 |
1.24 |
0 |
|
|
18835 |
548860 |
1 |
OC16H30 |
AB16C30 |
-78.77 |
2.18 |
-8.86 |
0.52 |
0 |
|
|
18836 |
548861 |
2 |
C10H17 |
A10B17 |
-34.58 |
0.58 |
-8.63 |
1.42 |
0 |
|
|
18837 |
548862 |
1 |
OC10H16 |
AB10C16 |
-14.99 |
2.24 |
-9.23 |
1.5 |
0 |
|
|
18838 |
548864 |
4 |
C3H5 |
A3B5 |
13.78 |
0.56 |
-9.55 |
1.28 |
0 |
|
|
18839 |
548865 |
1 |
OC15H28 |
AB15C28 |
-72.72 |
2.39 |
-9.52 |
1.24 |
0 |
|
|
18840 |
548866 |
1 |
O2C19H34 |
A2B19C34 |
-127.65 |
1.7 |
-9.41 |
0.82 |
0 |
|
|
18841 |
548888 |
1 |
C15H26 |
A15B26 |
-4.17 |
0.58 |
-8.86 |
0.63 |
0 |
|
|
18842 |
548904 |
2 |
OC5H7 |
AB5C7 |
-68.84 |
4.96 |
-9.95 |
0.17 |
0 |
|
|
18843 |
548929 |
2 |
OC4H6 |
AB4C6 |
-81.03 |
3.32 |
-9.14 |
0.35 |
0 |
|
|
18844 |
548936 |
2 |
OC4H5 |
AB4C5 |
-73.33 |
5.39 |
-9.45 |
-0.67 |
0 |
|
|
18845 |
548974 |
1 |
NOC7H9 |
ABC7D9 |
6.54 |
4.35 |
-10.81 |
0.43 |
0 |
|
|
18846 |
549016 |
1 |
OC11H18 |
AB11C18 |
-52.78 |
3.04 |
-9.61 |
0.78 |
0 |
|
|
18847 |
549046 |
1 |
OC9H16 |
AB9C16 |
-56.76 |
1.45 |
-9.99 |
0.96 |
0 |
|
|
18848 |
549048 |
1 |
O2C19H30 |
A2B19C30 |
-135.65 |
1.76 |
-9.56 |
0.77 |
0 |
|
|
18849 |
549052 |
1 |
OC12H22 |
AB12C22 |
-57.89 |
1.97 |
-8.87 |
0.48 |
0 |
|
|
18850 |
549087 |
1 |
NO2C7H11 |
AB2C7D11 |
-81.75 |
2.53 |
-9.94 |
0.43 |
0 |
|
|
18851 |
549092 |
1 |
C9H16 |
A9B16 |
-20.82 |
0.97 |
-9.55 |
1.51 |
0 |
|
|
18852 |
549108 |
2 |
C5H7 |
A5B7 |
135.25 |
0.99 |
-8.48 |
1.0 |
0 |
|
|
18853 |
549129 |
1 |
O2C7H10 |
A2B7C10 |
-80.93 |
2.63 |
-10.03 |
-0.1 |
0 |
|
|
18854 |
549282 |
1 |
FPO2C7H14 |
ABC2D7E14 |
-219.45 |
3.15 |
-10.7 |
1.08 |
0 |
|
|
18855 |
549325 |
1 |
OC15H28 |
AB15C28 |
-62.3 |
2.19 |
-9.62 |
1.3 |
0 |
|
|
18856 |
549355 |
1 |
OC7H8 |
AB7C8 |
9.16 |
2.06 |
-10.12 |
0.56 |
0 |
|
|
18857 |
549444 |
1 |
NO4C8H9 |
AB4C8D9 |
-71.17 |
4.48 |
-8.9 |
-1.43 |
0 |
|
|
18858 |
549455 |
1 |
NO3C14H19 |
AB3C14D19 |
-87.11 |
4.46 |
-8.75 |
0.08 |
0 |
|
|
18859 |
549458 |
4 |
C11H14 |
A11B14 |
61.07 |
0.23 |
-7.13 |
-0.5 |
0 |
|
|
18860 |
549466 |
1 |
NO6C18H23 |
AB6C18D23 |
-225.74 |
6.86 |
-9.1 |
-0.14 |
0 |
|
|
18861 |
549551 |
1 |
NO3C7H17 |
AB3C7D17 |
-101.17 |
3.07 |
-9.55 |
1.0 |
0 |
|
|
18862 |
549730 |
1 |
B5O6C26H57 |
A5B6C26D57 |
-525.8 |
2.2 |
-9.69 |
1.04 |
0 |
|
|
18863 |
549766 |
1 |
NOC12H15 |
ABC12D15 |
-26.71 |
3.7 |
-8.77 |
0.15 |
0 |
|
|
18864 |
549803 |
1 |
O2F7C14H21 |
A2B7C14D21 |
-482.85 |
3.6 |
-10.99 |
-0.4 |
0 |
|
|
18865 |
549804 |
1 |
NSO4C14H21 |
ABC4D14E21 |
-102.87 |
3.94 |
-10.08 |
-2.17 |
0 |
|
|
18866 |
549805 |
1 |
ClO2C12H23 |
AB2C12D23 |
-144.92 |
3.56 |
-10.8 |
0.19 |
0 |
|
|
18867 |
549806 |
1 |
OC10H18 |
AB10C18 |
-80.47 |
3.03 |
-9.7 |
0.88 |
0 |
|
|
18868 |
549846 |
1 |
NOSH4C5F9 |
ABCD4E5F9 |
-476.66 |
4.24 |
-9.69 |
-0.79 |
0 |
|
|
18869 |
549943 |
10 |
CH2 |
AB2 |
-31.22 |
0.72 |
-9.61 |
1.45 |
0 |
|
|
18870 |
549947 |
11 |
CH2 |
AB2 |
-51.85 |
0.06 |
-10.32 |
4.06 |
0 |
|
|
18871 |
549967 |
2 |
C14H23 |
A14B23 |
-67.3 |
0.68 |
-9.01 |
1.44 |
0 |
|
|
18872 |
549968 |
1 |
OC28H44 |
AB28C44 |
-88.85 |
3.62 |
-9.19 |
1.01 |
0 |
|
|
18873 |
550036 |
1 |
OC10H18 |
AB10C18 |
-41.07 |
2.15 |
-10.24 |
1.17 |
0 |
|
|
18874 |
550037 |
1 |
O4C37H72 |
A4B37C72 |
-338.75 |
2.45 |
-10.42 |
0.84 |
0 |
|
|
18875 |
550038 |
1 |
O5C37H72 |
A5B37C72 |
-315.1 |
3.11 |
-9.9 |
-0.16 |
0 |
|
|
18876 |
550039 |
1 |
NO2C13H13 |
AB2C13D13 |
-36.41 |
0.86 |
-9.5 |
-0.74 |
0 |
|
|
18877 |
550040 |
1 |
N3C12H17 |
A3B12C17 |
48.8 |
3.57 |
-11.82 |
0.6 |
0 |
|
|
18878 |
550063 |
1 |
OSiC18H34 |
ABC18D34 |
-121.47 |
3.3 |
-9.03 |
1.22 |
0 |
|
|
18879 |
550114 |
2 |
C15H26 |
A15B26 |
-56.49 |
1.63 |
-8.86 |
1.47 |
0 |
|
|
18880 |
550148 |
2 |
OC5H9 |
AB5C9 |
-102.63 |
1.56 |
-10.83 |
0.62 |
0 |
|
|
18881 |
550156 |
2 |
ON2F6H6C7 |
AB2C6D6E7 |
-662.23 |
7.48 |
-10.05 |
-1.02 |
0 |
|
|
18882 |
550246 |
1 |
OC29H48 |
AB29C48 |
-116.38 |
2.53 |
-9.23 |
1.38 |
0 |
|
|
18883 |
550250 |
1 |
Cl2C9H16 |
A2B9C16 |
-36.42 |
2.61 |
-10.06 |
0.55 |
0 |
|
|
18884 |
550270 |
1 |
NBr2C12H15 |
AB2C12D15 |
1.99 |
5.47 |
-8.15 |
-1.14 |
0 |
|
|
18885 |
550283 |
1 |
O2C11H12 |
A2B11C12 |
-58.24 |
2.15 |
-8.88 |
-0.36 |
0 |
|
|
18886 |
550293 |
1 |
SC9H18 |
AB9C18 |
-51.91 |
2.26 |
-8.34 |
1.08 |
0 |
|
|
18887 |
550297 |
2 |
OC8H14 |
AB8C14 |
-122.59 |
1.51 |
-9.09 |
0.9 |
0 |
|
|
18888 |
550448 |
1 |
F3O5H9C10 |
A3B5C9D10 |
-318.21 |
7.21 |
-10.68 |
-1.27 |
0 |
|
|
18889 |
550476 |
1 |
NO3H9F14C16 |
AB3C9D14E16 |
-798.1 |
3.84 |
-10.23 |
-0.81 |
0 |
|
|
18890 |
550510 |
1 |
N2O3C16H16 |
A2B3C16D16 |
-51.33 |
4.42 |
-8.58 |
-1.34 |
0 |
|
|
18891 |
550534 |
1 |
O2C9F16 |
A2B9C16 |
-876.91 |
0.93 |
-13.08 |
-1.44 |
0 |
|
|
18892 |
550596 |
2 |
H2O2F3C5 |
A2B2C3D5 |
-426.81 |
0.52 |
-10.06 |
-1.37 |
0 |
|
|
18893 |
550717 |
1 |
SCl2N2O2H16C17 |
AB2C2D2E16F17 |
-26.53 |
6.58 |
-9.51 |
-1.25 |
0 |
|
|
18894 |
550726 |
1 |
ClON3C14H20 |
ABC3D14E20 |
-34.4 |
5.49 |
-8.49 |
-0.23 |
0 |
|
|
18895 |
550780 |
1 |
N2C9H20 |
A2B9C20 |
-28.5 |
1.8 |
-8.62 |
2.78 |
0 |
|
|
18896 |
550783 |
1 |
ON2C22H38 |
AB2C22D38 |
-87.21 |
3.01 |
-8.9 |
1.45 |
0 |
|
|
18897 |
550784 |
1 |
N3O6C16H19 |
A3B6C16D19 |
-171.08 |
3.23 |
-9.25 |
-1.79 |
0 |
|
|
18898 |
550785 |
1 |
OC17H36 |
AB17C36 |
-117.96 |
1.75 |
-9.64 |
2.28 |
0 |
|
|
18899 |
550786 |
1 |
O2H3S3N5C7 |
A2B3C3D5E7 |
121.1 |
5.46 |
-9.79 |
-2.73 |
0 |
|
|
18900 |
550787 |
1 |
C2O2S2N3F5 |
A2B2C2D3E5 |
225.1 |
3.5 |
-7.01 |
-5.7 |
0 |
|
|
18901 |
550788 |
1 |
O2N4C7H16 |
A2B4C7D16 |
-80.5 |
2.69 |
-9.46 |
0.74 |
0 |
|
|
18902 |
550797 |
12 |
CH2 |
AB2 |
-44.65 |
0.48 |
-9.1 |
1.59 |
0 |
|
|
18903 |
550800 |
1 |
ClSC7H15 |
ABC7D15 |
-41.23 |
2.41 |
-8.82 |
0.16 |
0 |
|
|
18904 |
550804 |
10 |
CH2 |
AB2 |
-32.21 |
0.9 |
-9.62 |
1.46 |
0 |
|
|
18905 |
550844 |
1 |
N3C5H5O5 |
A3B5C5D5 |
-119.98 |
3.19 |
-11.44 |
-1.74 |
0 |
|
|
18906 |
550847 |
2 |
NOC7H12 |
ABC7D12 |
-67.61 |
4.26 |
-9.01 |
0.85 |
0 |
|
|
18907 |
550848 |
2 |
OC4H8 |
AB4C8 |
-109.22 |
2.44 |
-10.11 |
0.41 |
0 |
|
|
18908 |
550869 |
1 |
NO4C11H11 |
AB4C11D11 |
-60.42 |
4.76 |
-10.86 |
-1.9 |
0 |
|
|
18909 |
550870 |
1 |
NSC9H15 |
ABC9D15 |
-1.19 |
3.32 |
-8.49 |
0.71 |
0 |
|
|
18910 |
550879 |
1 |
N4O7C10H12 |
A4B7C10D12 |
-128.9 |
7.74 |
-10.46 |
-1.5 |
0 |
|
|
18911 |
550896 |
1 |
N5C11H13 |
A5B11C13 |
107.02 |
2.53 |
-8.57 |
-1.04 |
0 |
|
|
18912 |
550914 |
1 |
O3N5H7C9 |
A3B5C7D9 |
64.31 |
5.35 |
-10.11 |
-2.12 |
0 |
|
|
18913 |
550999 |
1 |
NO3C8H13 |
AB3C8D13 |
-139.79 |
5.76 |
-9.54 |
0.71 |
0 |
|
|
18914 |
551000 |
1 |
ClNOC7H12 |
ABCD7E12 |
-72.75 |
3.8 |
-9.46 |
0.9 |
0 |
|
|
18915 |
551001 |
1 |
NO2C8H13 |
AB2C8D13 |
-100.13 |
2.54 |
-9.53 |
0.2 |
0 |
|
|
18916 |
551002 |
2 |
BO2C5H9 |
AB2C5D9 |
-248.9 |
1.35 |
-10.64 |
0.67 |
0 |
|
|
18917 |
551004 |
1 |
NO2C15H27 |
AB2C15D27 |
-115.54 |
3.46 |
-8.66 |
0.7 |
0 |
|
|
18918 |
551006 |
1 |
N2O2C19H26 |
A2B2C19D26 |
-56.31 |
0.82 |
-8.56 |
-0.62 |
0 |
|
|
18919 |
551007 |
1 |
N4O6C19H34 |
A4B6C19D34 |
-324.26 |
2.26 |
-9.82 |
0.28 |
0 |
|
|
18920 |
551008 |
1 |
OCl2N2C13H16 |
AB2C2D13E16 |
-27.14 |
3.86 |
-8.63 |
-0.87 |
0 |
|
|
18921 |
551009 |
1 |
ON3C14H23 |
AB3C14D23 |
-28.43 |
7.71 |
-8.84 |
0.34 |
0 |
|
|
18922 |
551014 |
1 |
N2O5C15H24 |
A2B5C15D24 |
-255.57 |
4.73 |
-9.53 |
0.36 |
0 |
|
|
18923 |
551015 |
1 |
NSO2C17H31 |
ABC2D17E31 |
-137.42 |
2.86 |
-8.55 |
0.61 |
0 |
|
|
18924 |
551016 |
3 |
NOC5H7 |
ABC5D7 |
-124.14 |
5.55 |
-8.98 |
-0.06 |
0 |
|
|
18925 |
551025 |
1 |
N4O4C15H16 |
A4B4C15D16 |
-25.85 |
3.95 |
-9.7 |
-1.76 |
0 |
|
|
18926 |
551034 |
1 |
BrO2N4C11H11 |
AB2C4D11E11 |
33.17 |
5.87 |
-9.16 |
-1.48 |
0 |