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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
408090 |
135080845 |
1 |
CuN12C132H204 |
AB12C132D204 |
349.49 |
15.35 |
0.0 |
0.0 |
0 |
|
|
408091 |
135080846 |
2 |
N6C66H103 |
A6B66C103 |
120.61 |
9.68 |
-7.99 |
-2.37 |
0 |
|
|
408092 |
135080847 |
1 |
O3C8H10 |
A3B8C10 |
-108.94 |
3.6 |
-9.63 |
0.14 |
0 |
|
|
408093 |
135080848 |
1 |
NO3C13H15 |
AB3C13D15 |
-80.75 |
5.81 |
-8.18 |
-0.78 |
0 |
|
|
408094 |
135080849 |
1 |
O2C11H14 |
A2B11C14 |
-60.98 |
1.31 |
-8.91 |
0.2 |
0 |
|
|
408095 |
135080850 |
1 |
ON2C11H18 |
AB2C11D18 |
-28.83 |
3.09 |
-8.85 |
0.05 |
0 |
|
|
408096 |
135080852 |
1 |
O2C13H16 |
A2B13C16 |
-91.17 |
5.89 |
-9.48 |
0.08 |
0 |
|
|
408097 |
135080853 |
1 |
ON2C12H16 |
AB2C12D16 |
-14.32 |
3.35 |
-9.36 |
0.4 |
0 |
|
|
408098 |
135080854 |
1 |
ClO3C10H11 |
AB3C10D11 |
-129.24 |
5.05 |
-9.49 |
-0.22 |
0 |
|
|
408099 |
135080855 |
1 |
N3O5C8H15 |
A3B5C8D15 |
-167.64 |
2.53 |
-10.15 |
-0.3 |
-2 |
|
|
408100 |
135080856 |
1 |
PC6O7H9 |
AB6C7D9 |
-318.97 |
4.89 |
-10.25 |
-1.35 |
0 |
|
|
408101 |
135080857 |
1 |
HLiMgS2Cl4C6 |
ABCD2E4F6 |
-52.92 |
7.12 |
-9.6 |
-2.13 |
0 |
|
|
408102 |
135080858 |
1 |
N2O3C7H10 |
A2B3C7D10 |
-83.62 |
2.01 |
-9.68 |
-0.62 |
1 |
|
|
408103 |
135080859 |
1 |
N2O3C7H11 |
A2B3C7D11 |
-74.75 |
3.87 |
0.0 |
0.0 |
0 |
|
|
408104 |
135080860 |
2 |
OC5H6 |
AB5C6 |
-42.26 |
5.18 |
-8.76 |
-1.06 |
0 |
|
|
408105 |
135080861 |
1 |
ClO3C10H11 |
AB3C10D11 |
-99.43 |
5.18 |
-9.56 |
-0.86 |
0 |
|
|
408106 |
135080862 |
1 |
NC12H15 |
AB12C15 |
25.5 |
2.03 |
-9.33 |
-0.17 |
-1 |
|
|
408107 |
135080863 |
1 |
FN2O3C6H6 |
AB2C3D6E6 |
-107.04 |
5.38 |
0.0 |
0.0 |
0 |
|
|
408108 |
135080864 |
1 |
FN2O3C6H7 |
AB2C3D6E7 |
-139.74 |
6.74 |
-9.18 |
-0.02 |
0 |
|
|
408109 |
135080865 |
1 |
O2C13H22 |
A2B13C22 |
-114.4 |
3.81 |
-9.59 |
0.75 |
0 |
|
|
408110 |
135080866 |
1 |
ClOF3H4C8 |
ABC3D4E8 |
-140.01 |
1.79 |
-9.84 |
-0.7 |
0 |
|
|
408111 |
135080867 |
1 |
O3C12H14 |
A3B12C14 |
-89.91 |
3.99 |
-9.49 |
0.04 |
0 |
|
|
408112 |
135080868 |
2 |
NOH5C6 |
ABC5D6 |
11.3 |
5.76 |
-8.6 |
-0.74 |
0 |
|
|
408114 |
135080870 |
1 |
BrClSC10H10 |
ABCD10E10 |
27.1 |
2.31 |
-8.8 |
-0.65 |
0 |
|
|
408115 |
135080871 |
1 |
ZnN16H32C72 |
AB16C32D72 |
871.4 |
5.02 |
-7.82 |
-3.23 |
0 |
|
|
408116 |
135080872 |
1 |
BON9H38C51 |
ABC9D38E51 |
310.02 |
9.94 |
-7.81 |
-2.03 |
0 |
|
|
408117 |
135080873 |
1 |
ZnN8H48C96 |
AB8C48D96 |
1112.62 |
1.66 |
-7.82 |
-1.78 |
0 |
|
|
408118 |
135080874 |
2 |
N4H25C48 |
A4B25C48 |
933.62 |
12.17 |
-8.03 |
-1.63 |
2 |
|
|
408119 |
135080875 |
1 |
PbN8H48C96 |
AB8C48D96 |
1359.12 |
3.89 |
-7.86 |
-1.7 |
0 |
|
|
408120 |
135080877 |
1 |
GaS3N8O10H22C39 |
AB3C8D10E22F39 |
14.45 |
4.95 |
0.0 |
0.0 |
0 |
|
|
408121 |
135080878 |
1 |
ClBr2H2C4F5 |
AB2C2D4E5 |
-254.75 |
2.48 |
-11.65 |
-1.93 |
0 |
|
|
408122 |
135080879 |
1 |
N2O4C9H12 |
A2B4C9D12 |
-182.64 |
2.34 |
-10.74 |
-0.31 |
0 |
|
|
408123 |
135080880 |
1 |
NO3C11H21 |
AB3C11D21 |
-83.11 |
3.39 |
-10.08 |
-0.61 |
0 |
|
|
408124 |
135080881 |
1 |
OSN3C11H13 |
ABC3D11E13 |
22.02 |
5.14 |
-9.2 |
-1.75 |
0 |
|
|
408125 |
135080882 |
1 |
NOF3H10C12 |
ABC3D10E12 |
-174.29 |
6.74 |
-9.28 |
-0.76 |
0 |
|
|
408126 |
135080883 |
1 |
OF3C12H13 |
AB3C12D13 |
-178.83 |
4.36 |
-8.92 |
0.09 |
0 |
|
|
408127 |
135080887 |
1 |
NO3C5H11 |
AB3C5D11 |
-77.57 |
4.87 |
-10.73 |
-0.55 |
0 |
|
|
408128 |
135080888 |
1 |
ON2C11H14 |
AB2C11D14 |
2.39 |
4.04 |
-9.94 |
0.86 |
0 |
|
|
408129 |
135080889 |
1 |
SN2O3C8H12 |
AB2C3D8E12 |
-76.17 |
17.78 |
-8.56 |
-1.16 |
0 |
|
|
408130 |
135080890 |
1 |
SiN2C13H22 |
AB2C13D22 |
-4.25 |
1.73 |
-8.56 |
0.18 |
0 |
|
|
408131 |
135080891 |
1 |
NO4C11H21 |
AB4C11D21 |
-195.6 |
3.0 |
-9.13 |
0.78 |
0 |
|
|
408132 |
135080892 |
1 |
SO4C7H14 |
AB4C7D14 |
-181.6 |
4.28 |
-8.8 |
-0.3 |
-1 |
|
|
408133 |
135080893 |
1 |
O4C5H5 |
A4B5C5 |
-122.0 |
3.37 |
0.0 |
0.0 |
-2 |
|
|
408134 |
135080894 |
1 |
NO4C7H11 |
AB4C7D11 |
-179.53 |
2.03 |
-9.03 |
0.48 |
-1 |
|
|
408135 |
135080895 |
1 |
N2O3C7H9 |
A2B3C7D9 |
-86.34 |
5.65 |
0.0 |
0.0 |
0 |
|
|
408136 |
135080896 |
1 |
N2O3C7H10 |
A2B3C7D10 |
-117.75 |
2.07 |
-8.66 |
0.29 |
0 |
|
|
408138 |
135080898 |
1 |
NO4C7H11 |
AB4C7D11 |
-173.81 |
2.12 |
-8.6 |
0.48 |
0 |
|
|
408139 |
135080899 |
1 |
BrClOF2H4C8 |
ABCD2E4F8 |
-87.57 |
1.62 |
-9.63 |
-0.89 |
0 |
|
|
408140 |
135080900 |
1 |
NC10H19 |
AB10C19 |
-26.43 |
1.2 |
-8.19 |
2.87 |
0 |
|
|
408141 |
135080901 |
1 |
NC11H21 |
AB11C21 |
-32.34 |
1.25 |
-8.36 |
3.03 |
0 |
|
|
408142 |
135080902 |
1 |
TeC4F6 |
AB4C6 |
-252.63 |
1.25 |
-9.26 |
-1.14 |
0 |
|
|
408143 |
135080903 |
1 |
O2Cl3C10H15 |
A2B3C10D15 |
-143.52 |
2.69 |
-10.09 |
-0.48 |
-1 |
|
|
408144 |
135080904 |
1 |
HMnF4O5C8 |
ABC4D5E8 |
-276.15 |
2.32 |
-8.41 |
-1.99 |
0 |
|
|
408145 |
135080905 |
1 |
CoN8S8H16O24C32 |
AB8C8D16E24F32 |
-431.55 |
8.02 |
0.0 |
0.0 |
0 |
|
|
408146 |
135080906 |
2 |
N4S4H9O12C16 |
A4B4C9D12E16 |
-539.57 |
5.19 |
-8.96 |
-3.46 |
0 |
|
|
408147 |
135080907 |
1 |
CuN16H56C88 |
AB16C56D88 |
1156.09 |
7.66 |
0.0 |
0.0 |
0 |
|
|
408148 |
135080908 |
1 |
ZnN16H56C88 |
AB16C56D88 |
964.45 |
16.45 |
-7.35 |
-2.1 |
0 |
|
|
408149 |
135080909 |
1 |
SCl5H9C12 |
AB5C9D12 |
20.62 |
2.4 |
-9.09 |
-0.92 |
0 |
|
|
408150 |
135080910 |
1 |
ClInN8S8C80H112 |
ABC8D8E80F112 |
257.59 |
13.99 |
-7.18 |
-2.21 |
0 |
|
|
408151 |
135080911 |
1 |
MgN8O16C144H208 |
AB8C16D144E208 |
-447.02 |
20.26 |
-6.84 |
-1.45 |
0 |
|
|
408152 |
135080912 |
2 |
N4O8C72H105 |
A4B8C72D105 |
-553.71 |
5.85 |
-8.0 |
-2.61 |
0 |
|
|
408153 |
135080913 |
1 |
CuN16C136H200 |
AB16C136D200 |
306.02 |
3.17 |
0.0 |
0.0 |
0 |
|
|
408154 |
135080914 |
2 |
N8C68H101 |
A8B68C101 |
221.66 |
13.26 |
-8.51 |
-3.24 |
0 |
|
|
408155 |
135080915 |
1 |
ZnN8C96H104 |
AB8C96D104 |
448.27 |
5.25 |
-6.65 |
-2.09 |
0 |
|
|
408156 |
135080916 |
1 |
ZnN8S8C24H24 |
AB8C8D24E24 |
367.41 |
3.07 |
-7.8 |
-2.15 |
1 |
|
|
408157 |
135080917 |
1 |
BON7H19C30 |
ABC7D19E30 |
301.35 |
14.13 |
0.0 |
0.0 |
0 |
|
|
408158 |
135080918 |
1 |
BS2O3N6H29C38 |
AB2C3D6E29F38 |
113.36 |
6.59 |
-7.58 |
-2.26 |
2 |
|
|
408160 |
135080920 |
1 |
ZnO2N12H52C63 |
AB2C12D52E63 |
409.55 |
10.77 |
-9.02 |
-2.26 |
0 |
|
|
408161 |
135080921 |
1 |
O2N12H54C63 |
A2B12C54D63 |
429.94 |
8.32 |
-7.9 |
-2.44 |
0 |
|
|
408162 |
135080922 |
1 |
NO4C13H17 |
AB4C13D17 |
-171.1 |
8.17 |
-9.46 |
-0.41 |
0 |
|
|
408163 |
135080923 |
1 |
O2F3C8H9 |
A2B3C8D9 |
-212.5 |
3.23 |
-9.73 |
-0.77 |
0 |
|
|
408164 |
135080924 |
1 |
ON5C10H19 |
AB5C10D19 |
34.49 |
7.56 |
-9.63 |
-0.17 |
0 |
|
|
408165 |
135080925 |
2 |
NC6H10 |
AB6C10 |
5.88 |
2.35 |
-9.04 |
0.6 |
0 |
|
|
408166 |
135080926 |
1 |
NH9C10 |
AB9C10 |
67.97 |
3.85 |
-9.75 |
0.02 |
0 |
|
|
408167 |
135080927 |
1 |
ISiF3C11H14 |
ABC3D11E14 |
-168.35 |
4.18 |
-9.37 |
-0.84 |
0 |
|
|
408168 |
135080928 |
2 |
OC6H12 |
AB6C12 |
-146.61 |
3.26 |
-10.1 |
2.07 |
0 |
|
|
408169 |
135080929 |
2 |
HLiSC3 |
ABCD3 |
107.19 |
0.14 |
-7.89 |
0.56 |
0 |
|
|
408170 |
135080930 |
1 |
BrOSH3C6 |
ABCD3E6 |
29.86 |
1.1 |
-9.13 |
-0.83 |
0 |
|
|
408171 |
135080931 |
1 |
NO3C9H15 |
AB3C9D15 |
-127.13 |
3.13 |
-11.4 |
-0.29 |
0 |
|
|
408172 |
135080932 |
1 |
NOSSiC13H21 |
ABCDE13F21 |
-53.9 |
4.0 |
-8.3 |
-0.08 |
0 |
|
|
408173 |
135080933 |
1 |
S2O3H8C10 |
A2B3C8D10 |
-67.82 |
2.41 |
-8.95 |
-1.88 |
0 |
|
|
408175 |
135080935 |
1 |
NSO4C6H9 |
ABC4D6E9 |
-172.72 |
4.29 |
-8.6 |
0.19 |
-2 |
|
|
408176 |
135080936 |
1 |
NO4C8H13 |
AB4C8D13 |
-184.47 |
2.01 |
-9.01 |
0.46 |
-2 |
|
|
408177 |
135080937 |
1 |
NO4C6H9 |
AB4C6D9 |
-170.66 |
1.73 |
-8.62 |
0.32 |
-1 |
|
|
408178 |
135080938 |
1 |
N3O3C6H8 |
A3B3C6D8 |
-74.66 |
3.88 |
0.0 |
0.0 |
0 |
|
|
408179 |
135080939 |
3 |
NOC2H3 |
ABC2D3 |
-97.56 |
3.26 |
-9.03 |
0.07 |
0 |
|
|
408180 |
135080940 |
1 |
ClIO2H6C7 |
ABC2D6E7 |
-49.51 |
3.09 |
-8.82 |
-1.09 |
-2 |
|
|
408181 |
135080941 |
2 |
NO2C4H7 |
AB2C4D7 |
-171.28 |
2.77 |
-8.62 |
0.2 |
-2 |
|
|
408182 |
135080942 |
1 |
N2O4C7H12 |
A2B4C7D12 |
-168.56 |
2.05 |
-8.62 |
0.25 |
0 |
|
|
408183 |
135080943 |
2 |
FO2C4H5 |
AB2C4D5 |
-290.22 |
5.45 |
-11.74 |
-0.16 |
0 |
|
|
408184 |
135080944 |
1 |
O2C13H18 |
A2B13C18 |
-90.27 |
2.55 |
-9.78 |
0.52 |
0 |
|
|
408185 |
135080945 |
1 |
FNO2C14H16 |
ABC2D14E16 |
-80.77 |
6.23 |
-8.98 |
-0.47 |
0 |
|
|
408186 |
135080946 |
1 |
BrOC11H13 |
ABC11D13 |
-15.47 |
2.22 |
-9.12 |
-0.36 |
0 |
|
|
408187 |
135080947 |
1 |
OC12H16 |
AB12C16 |
-32.26 |
2.07 |
-9.29 |
0.37 |
0 |
|
|
408188 |
135080948 |
1 |
BrNO2C11H18 |
ABC2D11E18 |
-105.22 |
4.32 |
-9.41 |
-0.49 |
0 |
|
|
408192 |
135080953 |
1 |
ZnN8O8C176H232 |
AB8C8D176E232 |
-189.89 |
11.38 |
-8.22 |
-1.92 |
0 |
|
|
408193 |
135080954 |
2 |
N4O4C88H117 |
A4B4C88D117 |
-89.09 |
11.97 |
-7.57 |
-1.71 |
0 |
|
|
408194 |
135080955 |
1 |
SiZnN10H46C53 |
ABC10D46E53 |
484.09 |
12.43 |
-8.29 |
-2.3 |
0 |
|
|
408195 |
135080956 |
1 |
SiN10H48C53 |
AB10C48D53 |
454.65 |
17.24 |
-7.65 |
-2.6 |
0 |
|
|
408197 |
135080958 |
1 |
OVN8H36C40 |
ABC8D36E40 |
334.92 |
5.67 |
0.0 |
0.0 |
0 |