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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
449173 |
135296556 |
1 |
O3N4C19H22 |
A3B4C19D22 |
-55.06 |
7.41 |
-8.09 |
-1.37 |
0 |
|
|
449174 |
135296578 |
1 |
SO2N3C19H21 |
AB2C3D19E21 |
-3.51 |
1.63 |
-8.26 |
-0.11 |
0 |
|
|
449175 |
135296581 |
2 |
OF2H6C8 |
AB2C6D8 |
-238.36 |
1.2 |
-9.53 |
-0.96 |
0 |
|
|
449176 |
135296587 |
1 |
N3O5C27H35 |
A3B5C27D35 |
-108.73 |
3.35 |
-8.91 |
-0.74 |
0 |
|
|
449177 |
135296598 |
1 |
N2O3C18H26 |
A2B3C18D26 |
-123.8 |
1.88 |
-9.58 |
-0.46 |
0 |
|
|
449178 |
135296601 |
2 |
OC8H11 |
AB8C11 |
-24.16 |
0.83 |
-8.22 |
-0.05 |
0 |
|
|
449179 |
135296605 |
1 |
NC14H27 |
AB14C27 |
-31.34 |
1.38 |
-8.23 |
2.82 |
0 |
|
|
449180 |
135296606 |
1 |
NO3C14H21 |
AB3C14D21 |
-111.16 |
3.78 |
-8.94 |
0.2 |
0 |
|
|
449181 |
135296608 |
1 |
FINO2C13H17 |
ABCD2E13F17 |
-105.52 |
3.79 |
-9.01 |
-1.75 |
0 |
|
|
449182 |
135296623 |
1 |
ClN2O4H27C29 |
AB2C4D27E29 |
-80.04 |
6.17 |
-8.76 |
-0.43 |
0 |
|
|
449183 |
135296624 |
1 |
ClN2O4H21C22 |
AB2C4D21E22 |
-113.57 |
3.24 |
-8.23 |
-0.61 |
0 |
|
|
449184 |
135296625 |
1 |
NSO16C22H35 |
ABC16D22E35 |
-697.55 |
6.2 |
-10.28 |
-1.13 |
0 |
|
|
449185 |
135296634 |
2 |
SO3C9H19 |
AB3C9D19 |
-301.98 |
2.71 |
-8.52 |
0.48 |
0 |
|
|
449186 |
135296637 |
1 |
OF3N7H12C19 |
AB3C7D12E19 |
-36.54 |
2.66 |
-8.99 |
-1.72 |
0 |
|
|
449187 |
135296645 |
1 |
OF4N6H12C18 |
AB4C6D12E18 |
-117.84 |
4.01 |
-8.92 |
-1.2 |
0 |
|
|
449188 |
135296665 |
1 |
F2C7H10 |
A2B7C10 |
-90.77 |
2.56 |
-9.64 |
-0.17 |
0 |
|
|
449189 |
135296670 |
1 |
S2N6O6C61H68 |
A2B6C6D61E68 |
-147.88 |
4.86 |
-9.18 |
-2.98 |
0 |
|
|
449190 |
135296671 |
1 |
NS2C4H5 |
AB2C4D5 |
31.13 |
3.36 |
-8.68 |
-0.66 |
0 |
|
|
449191 |
135296690 |
2 |
N3O3C25H28 |
A3B3C25D28 |
-89.01 |
12.94 |
-8.88 |
-0.39 |
0 |
|
|
449192 |
135296707 |
2 |
NO2C15H17 |
AB2C15D17 |
-84.87 |
3.96 |
-8.65 |
-0.78 |
0 |
|
|
449193 |
135296723 |
1 |
FSN3C18H18 |
ABC3D18E18 |
24.75 |
4.93 |
-8.38 |
-0.26 |
0 |
|
|
449194 |
135296735 |
1 |
FON7H24C33 |
ABC7D24E33 |
131.76 |
9.49 |
-8.64 |
-2.08 |
0 |
|
|
449195 |
135296736 |
2 |
NO3C13H17 |
AB3C13D17 |
-194.31 |
11.88 |
-8.56 |
-0.75 |
0 |
|
|
449196 |
135296739 |
1 |
FN7H24C28 |
AB7C24D28 |
153.01 |
5.2 |
-8.68 |
-2.08 |
0 |
|
|
449197 |
135296743 |
1 |
FON7H28C31 |
ABC7D28E31 |
81.08 |
10.86 |
-8.64 |
-2.06 |
0 |
|
|
449198 |
135296756 |
1 |
FN7H16C23 |
AB7C16D23 |
163.1 |
5.37 |
-8.67 |
-2.09 |
0 |
|
|
449199 |
135296763 |
1 |
FON7H28C31 |
ABC7D28E31 |
111.34 |
11.01 |
-8.69 |
-2.11 |
0 |
|
|
449200 |
135296771 |
2 |
NO3C14H15 |
AB3C14D15 |
-172.35 |
13.13 |
-9.04 |
-1.28 |
0 |
|
|
449201 |
135296785 |
1 |
BrNF2O2C8H12 |
ABC2D2E8F12 |
-185.89 |
3.44 |
-10.65 |
-0.22 |
0 |
|
|
449202 |
135296791 |
1 |
N5O6C28H29 |
A5B6C28D29 |
-133.65 |
16.33 |
-9.3 |
-1.29 |
0 |
|
|
449203 |
135296804 |
1 |
ClN2O5C21H23 |
AB2C5D21E23 |
-169.68 |
16.93 |
-9.35 |
-1.26 |
0 |
|
|
449204 |
135296827 |
2 |
ClON3C13H13 |
ABC3D13E13 |
22.3 |
4.66 |
-9.59 |
-1.56 |
0 |
|
|
449205 |
135296836 |
1 |
N2O6C23H28 |
A2B6C23D28 |
-213.34 |
12.87 |
-9.48 |
-1.42 |
0 |
|
|
449206 |
135296837 |
1 |
Cl2O3N7H19C28 |
A2B3C7D19E28 |
94.73 |
5.87 |
-9.42 |
-1.5 |
0 |
|
|
449207 |
135296857 |
1 |
N2O6C31H36 |
A2B6C31D36 |
-174.52 |
13.38 |
-8.82 |
-0.85 |
0 |
|
|
449208 |
135296858 |
1 |
FN3O3C14H20 |
AB3C3D14E20 |
-180.44 |
2.37 |
-9.99 |
-1.09 |
0 |
|
|
449209 |
135296863 |
2 |
NO3C12H14 |
AB3C12D14 |
-189.24 |
11.93 |
-9.19 |
-1.37 |
0 |
|
|
449210 |
135296867 |
1 |
BrN2O6C23H27 |
AB2C6D23E27 |
-175.54 |
12.75 |
-8.97 |
-1.3 |
0 |
|
|
449211 |
135296876 |
1 |
N2O6C25H32 |
A2B6C25D32 |
-218.44 |
16.18 |
-8.87 |
-1.15 |
0 |
|
|
449212 |
135296884 |
2 |
NO3C12H15 |
AB3C12D15 |
-210.41 |
17.74 |
-9.24 |
-1.07 |
0 |
|
|
449213 |
135296888 |
1 |
ClO2F3N6H24C27 |
AB2C3D6E24F27 |
-125.93 |
4.08 |
-8.79 |
-1.01 |
0 |
|
|
449214 |
135296891 |
1 |
ClF3O3N5H23C28 |
AB3C3D5E23F28 |
-164.06 |
6.33 |
-8.9 |
-1.08 |
0 |
|
|
449215 |
135296895 |
1 |
N2O5C26H30 |
A2B5C26D30 |
-137.78 |
16.33 |
-9.34 |
-1.41 |
0 |
|
|
449216 |
135296900 |
1 |
ClN2O6C24H27 |
AB2C6D24E27 |
-193.72 |
14.78 |
-9.46 |
-1.38 |
0 |
|
|
449217 |
135296903 |
1 |
ClO2F3N4H26C29 |
AB2C3D4E26F29 |
-147.32 |
5.26 |
-8.63 |
-0.96 |
0 |
|
|
449218 |
135296911 |
1 |
ClON5C25H32 |
ABC5D25E32 |
-0.95 |
5.52 |
-8.71 |
-1.04 |
0 |
|
|
449219 |
135296929 |
1 |
BrN2O3C23H31 |
AB2C3D23E31 |
-72.02 |
4.71 |
-8.48 |
-0.21 |
0 |
|
|
449220 |
135296931 |
2 |
NO3C12H16 |
AB3C12D16 |
-217.1 |
17.8 |
-9.31 |
-1.1 |
0 |
|
|
449221 |
135296939 |
1 |
ClFON2H18C19 |
ABCD2E18F19 |
-45.36 |
4.04 |
-8.73 |
-0.7 |
0 |
|
|
449222 |
135296952 |
1 |
ClF2O3N4H19C22 |
AB2C3D4E19F22 |
-141.92 |
12.56 |
-9.57 |
-1.72 |
0 |
|
|
449223 |
135296956 |
1 |
N3O5C27H27 |
A3B5C27D27 |
-34.25 |
10.62 |
-9.6 |
-1.4 |
0 |
|
|
449224 |
135296966 |
1 |
N2O3C11H22 |
A2B3C11D22 |
-138.23 |
2.88 |
-9.07 |
-0.12 |
0 |
|
|
449225 |
135296977 |
1 |
ClN2O6C24H29 |
AB2C6D24E29 |
-197.33 |
12.56 |
-9.51 |
-1.42 |
0 |
|
|
449226 |
135296980 |
1 |
F2N2O5H18C19 |
A2B2C5D18E19 |
-267.09 |
10.44 |
-9.63 |
-1.66 |
0 |
|
|
449227 |
135296986 |
1 |
N4O4C25H28 |
A4B4C25D28 |
-95.77 |
10.4 |
-9.32 |
-1.45 |
0 |
|
|
449228 |
135296999 |
2 |
NO2C10H11 |
AB2C10D11 |
-124.1 |
15.22 |
-9.39 |
-1.32 |
0 |
|
|
449229 |
135297006 |
1 |
N2O6C31H38 |
A2B6C31D38 |
-178.25 |
13.33 |
-8.8 |
-0.87 |
0 |
|
|
449230 |
135297020 |
1 |
SN2F3O7C22H23 |
AB2C3D7E22F23 |
-377.62 |
7.22 |
-9.16 |
-1.93 |
0 |
|
|
449231 |
135297026 |
2 |
NC6H12 |
AB6C12 |
-28.91 |
1.32 |
-8.21 |
2.68 |
0 |
|
|
449232 |
135297054 |
1 |
FOSN5C23H32 |
ABCD5E23F32 |
-33.57 |
1.74 |
-8.25 |
0.04 |
0 |
|
|
449233 |
135297055 |
1 |
SF3N5C24H32 |
AB3C5D24E32 |
-113.61 |
4.86 |
-8.48 |
-0.08 |
0 |
|
|
449234 |
135297062 |
1 |
FOSN7C23H28 |
ABCD7E23F28 |
33.48 |
4.21 |
-8.16 |
-1.2 |
0 |
|
|
449235 |
135297072 |
1 |
FOSN6C23H27 |
ABCD6E23F27 |
4.55 |
5.17 |
-8.28 |
-0.85 |
0 |
|
|
449236 |
135297077 |
1 |
ClN3O4H24C26 |
AB3C4D24E26 |
20.28 |
10.17 |
-8.99 |
-1.14 |
0 |
|
|
449237 |
135297083 |
1 |
OSF3N5C24H28 |
ABC3D5E24F28 |
-112.65 |
5.39 |
-8.7 |
-0.84 |
0 |
|
|
449238 |
135297084 |
1 |
SO3N4C13H18 |
AB3C4D13E18 |
-37.44 |
5.86 |
-9.18 |
-0.25 |
0 |
|
|
449239 |
135297085 |
2 |
NC6H8 |
AB6C8 |
41.82 |
1.47 |
-8.94 |
0.29 |
0 |
|
|
449243 |
135297119 |
2 |
NO3C13H17 |
AB3C13D17 |
-196.3 |
16.96 |
-9.31 |
-1.11 |
0 |
|
|
449244 |
135297126 |
2 |
NO3C12H15 |
AB3C12D15 |
-203.29 |
13.39 |
-8.82 |
-0.9 |
0 |
|
|
449245 |
135297138 |
1 |
ClN2O4C20H23 |
AB2C4D20E23 |
-126.83 |
9.7 |
-9.17 |
-1.19 |
0 |
|
|
449246 |
135297139 |
1 |
ClN2O5C23H27 |
AB2C5D23E27 |
-163.04 |
12.21 |
-9.54 |
-1.45 |
0 |
|
|
449247 |
135297144 |
1 |
N2O5C29H32 |
A2B5C29D32 |
-124.84 |
11.79 |
-8.72 |
-0.91 |
0 |
|
|
449248 |
135297151 |
1 |
O2C11H16 |
A2B11C16 |
-50.79 |
1.44 |
-9.39 |
0.93 |
0 |
|
|
449249 |
135297161 |
1 |
N2O5C23H26 |
A2B5C23D26 |
-128.94 |
12.23 |
-8.78 |
-0.85 |
0 |
|
|
449250 |
135297167 |
1 |
IO2C8H9 |
AB2C8D9 |
-16.63 |
5.77 |
-10.16 |
-1.97 |
0 |
|
|
449251 |
135297172 |
1 |
NO4C13H27 |
AB4C13D27 |
-212.04 |
1.88 |
-8.87 |
0.31 |
0 |
|
|
449252 |
135297180 |
1 |
N7O8C45H57 |
A7B8C45D57 |
-311.95 |
1.7 |
-8.59 |
-0.22 |
0 |
|
|
449253 |
135297184 |
1 |
O3C7H14 |
A3B7C14 |
-116.47 |
2.11 |
-9.35 |
0.9 |
0 |
|
|
449254 |
135297186 |
1 |
S3C6H14 |
A3B6C14 |
-4.34 |
3.93 |
-8.3 |
0.48 |
0 |
|
|
449255 |
135297198 |
1 |
ClNO5C18H26 |
ABC5D18E26 |
-247.11 |
2.7 |
-8.83 |
-0.16 |
0 |
|
|
449256 |
135297201 |
1 |
FNOC13H20 |
ABCD13E20 |
-85.75 |
2.87 |
-8.93 |
0.17 |
0 |
|
|
449257 |
135297210 |
1 |
FN6H17C25 |
AB6C17D25 |
156.79 |
6.96 |
-8.77 |
-2.2 |
0 |
|
|
449258 |
135297213 |
1 |
FON7H24C29 |
ABC7D24E29 |
98.27 |
10.32 |
-8.7 |
-2.14 |
0 |
|
|
449259 |
135297214 |
1 |
FON7H22C32 |
ABC7D22E32 |
142.21 |
5.07 |
-8.66 |
-2.08 |
0 |
|
|
449260 |
135297223 |
1 |
FON7H26C31 |
ABC7D26E31 |
98.6 |
10.36 |
-8.7 |
-2.15 |
0 |
|
|
449261 |
135297224 |
1 |
FON7H24C29 |
ABC7D24E29 |
97.21 |
3.55 |
-8.86 |
-2.3 |
0 |
|
|
449262 |
135297229 |
1 |
FN7H26C33 |
AB7C26D33 |
179.99 |
3.99 |
-8.8 |
-2.24 |
0 |
|
|
449263 |
135297230 |
1 |
F3N7H24C30 |
A3B7C24D30 |
45.66 |
6.58 |
-8.8 |
-2.23 |
0 |
|
|
449264 |
135297239 |
1 |
FON6H27C31 |
ABC6D27E31 |
97.24 |
8.29 |
-8.73 |
-2.15 |
0 |
|
|
449265 |
135297248 |
1 |
FN6H17C25 |
AB6C17D25 |
156.78 |
4.39 |
-8.81 |
-2.26 |
0 |
|
|
449266 |
135297249 |
1 |
FON7H28C31 |
ABC7D28E31 |
113.58 |
10.32 |
-8.73 |
-2.18 |
0 |
|
|
449267 |
135297254 |
1 |
ClN2O3H33C37 |
AB2C3D33E37 |
13.5 |
4.11 |
-8.69 |
-0.26 |
0 |
|
|
449268 |
135297259 |
1 |
NSO6C29H29 |
ABC6D29E29 |
-144.95 |
4.18 |
-9.06 |
-1.37 |
0 |
|
|
449269 |
135297264 |
1 |
NO2H51C56 |
AB2C51D56 |
80.58 |
2.27 |
-7.97 |
-0.32 |
0 |
|
|
449270 |
135297272 |
1 |
NO2H37C40 |
AB2C37D40 |
33.57 |
2.28 |
-7.86 |
-0.2 |
0 |
|
|
449271 |
135297290 |
1 |
NO2H39C41 |
AB2C39D41 |
34.22 |
1.31 |
-7.73 |
-0.16 |
0 |
|
|
449272 |
135297295 |
1 |
BrH19C22 |
AB19C22 |
68.74 |
2.37 |
-9.0 |
-0.13 |
0 |
|
|
449273 |
135297301 |
2 |
N2H14C23 |
A2B14C23 |
244.56 |
2.9 |
-8.05 |
-0.9 |
0 |
|
|
449274 |
135297314 |
1 |
N2H36C51 |
A2B36C51 |
209.74 |
1.94 |
-7.94 |
-0.67 |
0 |
|
|
449275 |
135297316 |
2 |
N2H13C22 |
A2B13C22 |
239.34 |
2.76 |
-8.06 |
-1.11 |
0 |