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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
314144 |
126620585 |
1 |
NSH33C45 |
ABC33D45 |
209.1 |
1.64 |
-8.24 |
-0.69 |
0 |
|
|
314145 |
126620586 |
1 |
NOH33C50 |
ABC33D50 |
186.85 |
3.89 |
-8.14 |
-0.89 |
0 |
|
|
314146 |
126620590 |
1 |
NOH41C57 |
ABC41D57 |
189.44 |
4.2 |
-8.16 |
-0.64 |
0 |
|
|
314147 |
126620591 |
1 |
NH39C58 |
AB39C58 |
241.07 |
2.71 |
-8.28 |
-0.62 |
0 |
|
|
314148 |
126620642 |
1 |
NH41C60 |
AB41C60 |
246.9 |
2.61 |
-8.21 |
-0.66 |
0 |
|
|
314149 |
126620693 |
1 |
NH35C47 |
AB35C47 |
173.23 |
2.83 |
-8.12 |
-0.72 |
0 |
|
|
314150 |
126620694 |
1 |
NOH29C44 |
ABC29D44 |
162.01 |
3.26 |
-8.15 |
-0.89 |
0 |
|
|
314151 |
126620696 |
1 |
NH39C55 |
AB39C55 |
207.97 |
2.96 |
-8.06 |
-0.78 |
0 |
|
|
314152 |
126620697 |
1 |
NOH31C44 |
ABC31D44 |
159.79 |
1.36 |
-8.19 |
-0.72 |
0 |
|
|
314153 |
126620700 |
1 |
NOH37C56 |
ABC37D56 |
206.27 |
2.39 |
-8.23 |
-0.79 |
0 |
|
|
314154 |
126620701 |
1 |
NOH37C56 |
ABC37D56 |
208.29 |
3.34 |
-8.1 |
-0.96 |
0 |
|
|
314155 |
126620702 |
1 |
NH47C67 |
AB47C67 |
252.71 |
3.09 |
-8.18 |
-0.73 |
0 |
|
|
314156 |
126620721 |
1 |
NOH29C44 |
ABC29D44 |
160.57 |
2.32 |
-8.21 |
-0.95 |
0 |
|
|
314157 |
126620724 |
1 |
NOH33C50 |
ABC33D50 |
183.64 |
3.76 |
-8.15 |
-0.86 |
0 |
|
|
314158 |
126620731 |
1 |
NH31C43 |
AB31C43 |
161.26 |
2.8 |
-8.18 |
-0.71 |
0 |
|
|
314159 |
126620734 |
1 |
PN4O8C21H43 |
AB4C8D21E43 |
-395.21 |
3.11 |
-8.62 |
0.63 |
0 |
|
|
314160 |
126620736 |
1 |
NH43C64 |
AB43C64 |
264.1 |
2.95 |
-8.22 |
-0.64 |
0 |
|
|
314161 |
126620757 |
1 |
SO2N3H19C22 |
AB2C3D19E22 |
8.52 |
8.31 |
-8.85 |
-1.1 |
0 |
|
|
314162 |
126620759 |
2 |
NH16C22 |
AB16C22 |
195.31 |
1.91 |
-7.84 |
-0.5 |
0 |
|
|
314163 |
126620761 |
1 |
SO2N5C16H17 |
AB2C5D16E17 |
10.79 |
10.47 |
-9.04 |
-1.01 |
0 |
|
|
314164 |
126620764 |
1 |
NH51C74 |
AB51C74 |
299.24 |
2.74 |
-8.21 |
-0.63 |
0 |
|
|
314165 |
126620765 |
1 |
NH31C44 |
AB31C44 |
185.15 |
2.87 |
-8.19 |
-0.47 |
0 |
|
|
314166 |
126620766 |
1 |
SO2N5H15C18 |
AB2C5D15E18 |
38.99 |
7.32 |
-9.1 |
-1.2 |
0 |
|
|
314167 |
126620768 |
1 |
SO3N4C20H20 |
AB3C4D20E20 |
-33.85 |
9.47 |
-8.56 |
-1.06 |
0 |
|
|
314168 |
126620776 |
1 |
NH37C56 |
AB37C56 |
234.15 |
3.28 |
-8.17 |
-0.9 |
0 |
|
|
314169 |
126620777 |
1 |
SN3O4C10H11 |
AB3C4D10E11 |
-113.35 |
2.65 |
-8.92 |
-0.99 |
0 |
|
|
314170 |
126620778 |
1 |
NH31C44 |
AB31C44 |
185.06 |
2.93 |
-8.2 |
-0.49 |
0 |
|
|
314171 |
126620779 |
1 |
NH45C68 |
AB45C68 |
281.8 |
2.97 |
-8.11 |
-0.84 |
0 |
|
|
314172 |
126620780 |
1 |
N4O12C37H68 |
A4B12C37D68 |
-610.39 |
7.57 |
-9.9 |
0.4 |
0 |
|
|
314173 |
126620787 |
1 |
NH39C62 |
AB39C62 |
257.71 |
2.41 |
-8.32 |
-0.8 |
0 |
|
|
314174 |
126620788 |
1 |
NH35C54 |
AB35C54 |
224.52 |
2.13 |
-8.28 |
-0.77 |
0 |
|
|
314175 |
126620792 |
1 |
INC10H14 |
ABC10D14 |
14.39 |
1.99 |
-8.42 |
-1.4 |
0 |
|
|
314176 |
126620793 |
1 |
NC22H31 |
AB22C31 |
-0.82 |
2.4 |
-7.61 |
0.74 |
0 |
|
|
314177 |
126620795 |
1 |
NO2H31C50 |
AB2C31D50 |
159.57 |
3.71 |
-8.13 |
-0.9 |
0 |
|
|
314178 |
126620796 |
1 |
SO2N5H19C21 |
AB2C5D19E21 |
45.18 |
6.51 |
-9.14 |
-0.95 |
0 |
|
|
314179 |
126620797 |
1 |
NSH51C72 |
ABC51D72 |
315.76 |
9.25 |
-6.6 |
-0.48 |
0 |
|
|
314180 |
126620810 |
1 |
SO2N5H17C21 |
AB2C5D17E21 |
45.0 |
6.48 |
-9.05 |
-1.01 |
0 |
|
|
314181 |
126620812 |
1 |
SO2N4H18C23 |
AB2C4D18E23 |
31.66 |
7.48 |
-8.52 |
-1.14 |
0 |
|
|
314182 |
126620814 |
1 |
INC14H16 |
ABC14D16 |
40.03 |
2.39 |
-8.27 |
-1.78 |
0 |
|
|
314183 |
126620824 |
1 |
N2C9H20 |
A2B9C20 |
-12.83 |
2.58 |
-8.78 |
1.29 |
0 |
|
|
314184 |
126620826 |
1 |
NH29C44 |
AB29C44 |
188.34 |
3.05 |
-8.21 |
-0.88 |
0 |
|
|
314185 |
126620827 |
1 |
NH43C64 |
AB43C64 |
263.7 |
1.99 |
-8.11 |
-0.74 |
0 |
|
|
314186 |
126620828 |
1 |
NO6C29H37 |
AB6C29D37 |
-240.0 |
4.64 |
-8.82 |
0.13 |
0 |
|
|
314187 |
126620829 |
1 |
FNH30C44 |
ABC30D44 |
137.15 |
1.78 |
-8.21 |
-0.81 |
0 |
|
|
314188 |
126620830 |
1 |
FNH30C44 |
ABC30D44 |
136.7 |
0.86 |
-8.25 |
-0.69 |
0 |
|
|
314189 |
126620831 |
1 |
NSH43C53 |
ABC43D53 |
234.58 |
6.76 |
-7.08 |
-0.26 |
0 |
|
|
314190 |
126620832 |
1 |
N2H34C51 |
A2B34C51 |
239.38 |
2.29 |
-8.31 |
-1.04 |
0 |
|
|
314191 |
126620844 |
2 |
PC3H8 |
AB3C8 |
-46.31 |
0.55 |
-8.23 |
2.3 |
0 |
|
|
314192 |
126620849 |
1 |
NI2C9H11 |
AB2C9D11 |
34.14 |
1.39 |
-8.49 |
-2.85 |
0 |
|
|
314193 |
126620851 |
1 |
SN3O4C13H15 |
AB3C4D13E15 |
-78.39 |
10.98 |
-8.49 |
-1.78 |
0 |