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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
367792 |
127325828 |
1 |
ClSN2O3H15C16 |
ABC2D3E15F16 |
-55.19 |
4.62 |
-9.2 |
-0.77 |
0 |
|
|
367793 |
127325851 |
1 |
SO3N4C17H18 |
AB3C4D17E18 |
-76.67 |
7.67 |
-9.22 |
-1.45 |
0 |
|
|
367794 |
127325852 |
1 |
N3O4C16H17 |
A3B4C16D17 |
-116.31 |
7.26 |
-9.35 |
-0.9 |
0 |
|
|
367795 |
127325853 |
2 |
N2O2C9H10 |
A2B2C9D10 |
-124.35 |
1.08 |
-9.1 |
-0.63 |
0 |
|
|
367796 |
127325854 |
1 |
O3N4H14C15 |
A3B4C14D15 |
1.76 |
2.94 |
-10.09 |
-1.49 |
0 |
|
|
367797 |
127325865 |
1 |
N3O3C15H19 |
A3B3C15D19 |
-95.78 |
9.32 |
-9.87 |
-0.3 |
0 |
|
|
367798 |
127325866 |
2 |
ON2C9H12 |
AB2C9D12 |
-28.4 |
4.09 |
-8.95 |
-0.4 |
0 |
|
|
367799 |
127325896 |
2 |
N2O2C9H12 |
A2B2C9D12 |
-67.32 |
1.05 |
-9.66 |
-0.72 |
0 |
|
|
367800 |
127325897 |
4 |
NOC5H7 |
ABC5D7 |
-100.79 |
7.73 |
-9.59 |
-0.21 |
0 |
|
|
367801 |
127325898 |
2 |
ON3C9H13 |
AB3C9D13 |
-18.89 |
9.3 |
-9.21 |
0.08 |
0 |
|
|
367802 |
127325899 |
2 |
OSN3C7H9 |
ABC3D7E9 |
22.24 |
5.8 |
-10.02 |
-1.63 |
0 |
|
|
367803 |
127325900 |
2 |
NO2C11H17 |
AB2C11D17 |
-191.73 |
3.08 |
-9.47 |
0.95 |
0 |
|
|
367804 |
127325901 |
2 |
ON3C10H15 |
AB3C10D15 |
-39.36 |
6.1 |
-9.33 |
-0.05 |
0 |
|
|
367805 |
127325902 |
2 |
ON3C10H15 |
AB3C10D15 |
-41.42 |
8.12 |
-9.2 |
0.25 |
0 |
|
|
367806 |
127325903 |
4 |
NOC4H5 |
ABC4D5 |
-50.35 |
2.52 |
-9.64 |
-0.67 |
0 |
|
|
367807 |
127325904 |
2 |
ON3C10H13 |
AB3C10D13 |
-26.24 |
8.57 |
-9.54 |
-0.9 |
0 |
|
|
367808 |
127325905 |
2 |
N2O2C9H12 |
A2B2C9D12 |
-129.92 |
2.37 |
-9.26 |
-0.25 |
0 |
|
|
367809 |
127325906 |
2 |
NO2C10H17 |
AB2C10D17 |
-217.91 |
3.94 |
-9.21 |
1.19 |
0 |
|
|
367810 |
127325907 |
2 |
OSN2C8H10 |
ABC2D8E10 |
-18.85 |
4.87 |
-9.37 |
-1.04 |
0 |
|
|
367811 |
127325908 |
2 |
N2O2C9H12 |
A2B2C9D12 |
-71.57 |
3.92 |
-9.49 |
-0.44 |
0 |
|
|
367812 |
127325909 |
2 |
OSN3C7H9 |
ABC3D7E9 |
24.88 |
3.95 |
-9.61 |
-1.46 |
0 |
|
|
367813 |
127325910 |
2 |
ON3C10H15 |
AB3C10D15 |
-45.21 |
3.6 |
-9.15 |
0.41 |
0 |
|
|
367814 |
127325911 |
2 |
NO2C9H15 |
AB2C9D15 |
-199.79 |
2.34 |
-9.54 |
0.79 |
0 |
|
|
367815 |
127325912 |
2 |
ON3C10H13 |
AB3C10D13 |
-35.52 |
6.4 |
-9.79 |
-1.01 |
0 |
|
|
367816 |
127325913 |
4 |
NOC5H8 |
ABC5D8 |
-201.78 |
7.43 |
-9.41 |
0.59 |
0 |
|
|
367817 |
127325914 |
1 |
FO2N3C20H20 |
AB2C3D20E20 |
-59.46 |
3.92 |
-9.01 |
-0.85 |
0 |
|
|
367818 |
127325915 |
1 |
FN2O4H19C20 |
AB2C4D19E20 |
-160.29 |
2.65 |
-9.11 |
-0.88 |
0 |
|
|
367819 |
127325916 |
1 |
S2O3N4C17H22 |
A2B3C4D17E22 |
-67.47 |
10.44 |
-8.72 |
0.0 |
0 |
|
|
367820 |
127325924 |
1 |
O3N4C19H30 |
A3B4C19D30 |
-98.78 |
5.67 |
-8.69 |
-1.03 |
0 |
|
|
367821 |
127325926 |
1 |
SO2N3C21H29 |
AB2C3D21E29 |
-65.88 |
5.16 |
-8.62 |
-0.91 |
0 |
|
|
367822 |
127325927 |
1 |
SN3O3C20H31 |
AB3C3D20E31 |
-117.36 |
6.32 |
-8.66 |
-0.55 |
0 |
|
|
367823 |
127325928 |
1 |
O2N4C17H26 |
A2B4C17D26 |
-71.11 |
2.05 |
-8.74 |
-0.89 |
0 |
|
|
367824 |
127325929 |
1 |
ON5C22H31 |
AB5C22D31 |
8.85 |
4.57 |
-8.46 |
-0.84 |
0 |
|
|
367825 |
127325930 |
1 |
ON4C19H26 |
AB4C19D26 |
-0.86 |
5.16 |
-8.64 |
-0.82 |
0 |
|
|
367826 |
127325934 |
1 |
O2N3C16H27 |
A2B3C16D27 |
-108.59 |
7.72 |
-8.86 |
0.54 |
0 |
|
|
367827 |
127325935 |
1 |
SO3N4C19H30 |
AB3C4D19E30 |
-92.94 |
9.19 |
-8.9 |
-0.3 |
0 |
|
|
367828 |
127325936 |
1 |
ON4C16H26 |
AB4C16D26 |
-25.23 |
4.96 |
-8.45 |
0.24 |
0 |
|
|
367829 |
127325937 |
1 |
O2N3C21H37 |
A2B3C21D37 |
-138.19 |
4.31 |
-8.52 |
1.05 |
0 |
|
|
367830 |
127325938 |
1 |
S2N3O3C17H27 |
A2B3C3D17E27 |
-103.42 |
5.85 |
-8.68 |
-0.96 |
0 |
|
|
367831 |
127325939 |
1 |
O2N3C21H27 |
A2B3C21D27 |
-67.32 |
4.5 |
-8.83 |
-0.77 |
0 |
|
|
367832 |
127325940 |
1 |
O3N4C17H26 |
A3B4C17D26 |
-136.94 |
4.29 |
-8.78 |
-0.71 |
0 |
|
|
367833 |
127325941 |
1 |
ON4C16H26 |
AB4C16D26 |
-18.58 |
6.2 |
-8.46 |
0.25 |
0 |
|
|
367834 |
127325942 |
1 |
O3N5C20H27 |
A3B5C20D27 |
-111.61 |
4.43 |
-8.76 |
-1.41 |
0 |
|
|
367835 |
127325943 |
1 |
ON6C21H32 |
AB6C21D32 |
5.82 |
6.27 |
-8.62 |
-0.19 |
0 |
|
|
367836 |
127325944 |
1 |
N3O3C19H33 |
A3B3C19D33 |
-156.87 |
2.6 |
-8.61 |
0.71 |
0 |
|
|
367837 |
127325945 |
1 |
ON4C19H26 |
AB4C19D26 |
2.51 |
3.84 |
-8.53 |
-0.56 |
0 |
|
|
367838 |
127325946 |
1 |
N3O3C21H29 |
A3B3C21D29 |
-132.57 |
8.0 |
-8.51 |
-1.0 |
0 |
|
|
367839 |
127325947 |
1 |
SO3N5C18H31 |
AB3C5D18E31 |
-114.32 |
8.38 |
-8.54 |
0.15 |
0 |
|
|
367840 |
127325948 |
1 |
O3N4C22H30 |
A3B4C22D30 |
-129.76 |
6.49 |
-8.76 |
-0.93 |
0 |
|
|
367841 |
127325949 |
1 |
ON4C20H28 |
AB4C20D28 |
-6.37 |
5.69 |
-8.66 |
-0.39 |
0 |
|
|
367842 |
127325950 |
1 |
OSN6C18H30 |
ABC6D18E30 |
28.4 |
1.83 |
-8.56 |
-0.78 |
0 |
|
|
367843 |
127325951 |
1 |
ON3C17H31 |
AB3C17D31 |
-68.0 |
4.12 |
-8.58 |
0.95 |
0 |
|
|
367844 |
127325952 |
1 |
ON5C20H27 |
AB5C20D27 |
22.52 |
5.95 |
-8.74 |
-0.96 |
0 |
|
|
367845 |
127325953 |
1 |
ON5C20H27 |
AB5C20D27 |
21.97 |
6.96 |
-8.81 |
-1.21 |
0 |
|
|
367846 |
127325954 |
1 |
ON4C16H26 |
AB4C16D26 |
-29.79 |
2.08 |
-8.46 |
0.16 |
0 |
|
|
367847 |
127325955 |
1 |
SO2N3C19H29 |
AB2C3D19E29 |
-82.01 |
3.03 |
-8.48 |
-0.99 |
0 |
|
|
367848 |
127325969 |
1 |
ON4C18H28 |
AB4C18D28 |
-16.63 |
4.51 |
-8.43 |
0.25 |
0 |
|
|
367849 |
127325970 |
1 |
O3N4C19H32 |
A3B4C19D32 |
-141.88 |
3.78 |
-8.61 |
-0.25 |
0 |
|
|
367850 |
127325971 |
1 |
ON5C16H27 |
AB5C16D27 |
-15.52 |
5.23 |
-8.8 |
0.13 |
0 |
|
|
367851 |
127325972 |
1 |
O2N3C21H29 |
A2B3C21D29 |
-90.53 |
3.76 |
-8.58 |
-0.55 |
0 |
|
|
367852 |
127325973 |
2 |
ON2C10H13 |
AB2C10D13 |
-44.68 |
3.77 |
-8.76 |
-1.04 |
0 |
|
|
367853 |
127325974 |
1 |
N2O3C21H30 |
A2B3C21D30 |
-139.14 |
4.07 |
-8.96 |
0.05 |
0 |
|
|
367854 |
127325975 |
1 |
N2O3C21H28 |
A2B3C21D28 |
-115.83 |
1.67 |
-8.71 |
0.29 |
0 |
|
|
367855 |
127325976 |
1 |
SN2O5C17H22 |
AB2C5D17E22 |
-193.06 |
6.58 |
-9.12 |
-0.14 |
0 |
|
|
367856 |
127325977 |
1 |
N3O4C19H25 |
A3B4C19D25 |
-154.75 |
8.56 |
-9.04 |
-0.04 |
0 |
|
|
367857 |
127325978 |
2 |
NO2C11H14 |
AB2C11D14 |
-158.58 |
7.07 |
-9.04 |
-0.04 |
0 |
|
|
367858 |
127325979 |
1 |
N2O3C23H30 |
A2B3C23D30 |
-133.19 |
5.85 |
-8.94 |
0.07 |
0 |
|
|
367859 |
127325980 |
1 |
SO2N3C16H23 |
AB2C3D16E23 |
-89.49 |
6.27 |
-9.55 |
-1.33 |
0 |
|
|
367860 |
127325981 |
1 |
ON4C18H24 |
AB4C18D24 |
5.0 |
6.59 |
-9.98 |
-1.3 |
0 |
|
|
367861 |
127325992 |
1 |
ON5C19H23 |
AB5C19D23 |
64.92 |
11.77 |
-8.44 |
-1.02 |
0 |
|
|
367862 |
127325993 |
1 |
O2N5C16H17 |
A2B5C16D17 |
52.53 |
11.42 |
-8.72 |
-1.12 |
0 |
|
|
367863 |
127325994 |
1 |
O3N7C15H21 |
A3B7C15D21 |
-16.48 |
4.9 |
-8.53 |
-1.01 |
0 |
|
|
367864 |
127325995 |
1 |
SO2N6C16H24 |
AB2C6D16E24 |
2.19 |
8.1 |
-8.64 |
-1.08 |
0 |
|
|
367865 |
127325998 |
2 |
NO2C11H12 |
AB2C11D12 |
-108.18 |
7.42 |
-8.94 |
-0.24 |
0 |
|
|
367866 |
127325999 |
1 |
N3O4C22H23 |
A3B4C22D23 |
-113.08 |
4.72 |
-8.95 |
-0.64 |
0 |
|
|
367867 |
127326000 |
1 |
N2O3C22H28 |
A2B3C22D28 |
-116.61 |
5.62 |
-9.03 |
-0.09 |
0 |
|
|
367868 |
127326001 |
1 |
N4O4C21H26 |
A4B4C21D26 |
-155.42 |
7.58 |
-9.26 |
-0.09 |
0 |
|
|
367869 |
127326002 |
2 |
N2O2C10H13 |
A2B2C10D13 |
-134.72 |
6.72 |
-9.02 |
-0.07 |
0 |
|
|
367870 |
127326003 |
1 |
ON7C17H25 |
AB7C17D25 |
48.38 |
4.66 |
-8.65 |
-0.79 |
0 |
|
|
367871 |
127326004 |
1 |
N3O4C17H29 |
A3B4C17D29 |
-183.08 |
5.33 |
-8.79 |
0.54 |
0 |
|
|
367872 |
127326005 |
1 |
N2O5C19H24 |
A2B5C19D24 |
-186.8 |
2.35 |
-8.38 |
-0.11 |
0 |
|
|
367873 |
127326006 |
1 |
N3O3C13H23 |
A3B3C13D23 |
-150.81 |
7.38 |
-9.19 |
0.6 |
0 |
|
|
367874 |
127326007 |
1 |
N2O3C13H22 |
A2B3C13D22 |
-149.62 |
3.94 |
-9.45 |
0.41 |
0 |
|
|
367875 |
127326008 |
1 |
N3O4C15H23 |
A3B4C15D23 |
-193.02 |
5.72 |
-9.51 |
0.03 |
0 |
|
|
367876 |
127326017 |
1 |
ON5C22H31 |
AB5C22D31 |
-6.77 |
10.71 |
-8.55 |
-0.63 |
0 |
|
|
367877 |
127326018 |
1 |
ON6C17H26 |
AB6C17D26 |
25.9 |
7.26 |
-8.39 |
-1.16 |
0 |
|
|
367878 |
127326019 |
1 |
OSN5C19H29 |
ABC5D19E29 |
-6.4 |
4.25 |
-8.65 |
-1.08 |
0 |
|
|
367879 |
127326032 |
2 |
ON2C10H13 |
AB2C10D13 |
-5.71 |
4.81 |
-8.92 |
0.15 |
0 |
|
|
367880 |
127326033 |
1 |
O3N4C21H26 |
A3B4C21D26 |
-48.7 |
3.2 |
-8.83 |
0.12 |
0 |
|
|
367881 |
127326034 |
1 |
FON5C21H22 |
ABC5D21E22 |
5.59 |
6.62 |
-8.69 |
-0.65 |
0 |
|
|
367882 |
127326035 |
1 |
ON5C21H23 |
AB5C21D23 |
54.06 |
5.95 |
-8.72 |
-0.65 |
0 |
|
|
367883 |
127326036 |
1 |
N3O3C21H29 |
A3B3C21D29 |
-110.83 |
1.96 |
-8.72 |
0.18 |
0 |
|
|
367884 |
127326037 |
1 |
SO2N3C19H23 |
AB2C3D19E23 |
-28.64 |
5.3 |
-8.7 |
-0.99 |
0 |
|
|
367885 |
127326038 |
1 |
O2N3C20H27 |
A2B3C20D27 |
-55.99 |
5.69 |
-8.79 |
0.12 |
0 |
|
|
367886 |
127326039 |
1 |
O2N3C24H29 |
A2B3C24D29 |
-49.47 |
3.94 |
-8.59 |
-0.13 |
0 |
|
|
367887 |
127326040 |
1 |
FO2N3C21H28 |
AB2C3D21E28 |
-102.62 |
4.34 |
-8.78 |
0.07 |
0 |
|
|
367888 |
127326041 |
1 |
O2N3C21H29 |
A2B3C21D29 |
-53.9 |
2.77 |
-8.62 |
0.33 |
0 |
|
|
367889 |
127326042 |
1 |
O2N4C19H26 |
A2B4C19D26 |
-63.27 |
6.18 |
-8.74 |
0.15 |
0 |
|
|
367890 |
127326043 |
1 |
O2N4C19H24 |
A2B4C19D24 |
-4.05 |
3.34 |
-8.83 |
0.08 |
0 |
|
|
367891 |
127326044 |
1 |
O2N4C19H24 |
A2B4C19D24 |
-5.3 |
4.56 |
-8.98 |
-0.14 |
0 |