List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
361189 |
127302133 |
2 |
ON2C10H14 |
AB2C10D14 |
-34.53 |
6.87 |
-8.58 |
-0.8 |
0 |
|
|
361190 |
127302134 |
1 |
O3N4C19H26 |
A3B4C19D26 |
-71.01 |
6.96 |
-8.58 |
-0.88 |
0 |
|
|
361191 |
127302135 |
1 |
N3O4H21C22 |
A3B4C21D22 |
-82.66 |
6.88 |
-8.03 |
-1.22 |
0 |
|
|
361192 |
127302136 |
1 |
BrO2N4C17H19 |
AB2C4D17E19 |
-15.21 |
5.26 |
-9.37 |
-1.03 |
0 |
|
|
361193 |
127302137 |
1 |
O3N4C19H22 |
A3B4C19D22 |
-51.79 |
10.0 |
-8.95 |
-1.18 |
0 |
|
|
361194 |
127302138 |
1 |
O2N3C19H23 |
A2B3C19D23 |
-31.84 |
5.86 |
-9.16 |
-1.01 |
0 |
|
|
361195 |
127302139 |
2 |
ON2C11H12 |
AB2C11D12 |
1.24 |
8.01 |
-8.79 |
-0.92 |
0 |
|
|
361196 |
127302140 |
1 |
O3N5C21H29 |
A3B5C21D29 |
-69.07 |
7.22 |
-9.04 |
-0.87 |
0 |
|
|
361197 |
127302152 |
1 |
O2N4C19H26 |
A2B4C19D26 |
-39.48 |
6.66 |
-8.68 |
-0.8 |
0 |
|
|
361198 |
127302153 |
2 |
ON2C9H12 |
AB2C9D12 |
-35.78 |
7.17 |
-8.75 |
-0.8 |
0 |
|
|
361199 |
127302154 |
2 |
ON2C9H12 |
AB2C9D12 |
-35.11 |
7.18 |
-8.78 |
-0.8 |
0 |
|
|
361200 |
127302155 |
2 |
ON2C9H12 |
AB2C9D12 |
-31.71 |
6.97 |
-8.74 |
-0.81 |
0 |
|
|
361201 |
127302156 |
1 |
O3N4C17H22 |
A3B4C17D22 |
-67.13 |
5.65 |
-8.46 |
-1.0 |
0 |
|
|
361202 |
127302157 |
1 |
N3O3C19H25 |
A3B3C19D25 |
-85.57 |
7.24 |
-9.08 |
-0.89 |
0 |
|
|
361203 |
127302158 |
1 |
N3O3C21H23 |
A3B3C21D23 |
-58.93 |
7.34 |
-8.63 |
-0.85 |
0 |
|
|
361204 |
127302159 |
1 |
O3N4C20H26 |
A3B4C20D26 |
-67.45 |
7.79 |
-8.64 |
-0.95 |
0 |
|
|
361205 |
127302160 |
1 |
O3N4C20H24 |
A3B4C20D24 |
-56.01 |
8.6 |
-9.05 |
-0.87 |
0 |
|
|
361206 |
127302161 |
1 |
FO2N3C22H22 |
AB2C3D22E22 |
-55.3 |
7.18 |
-9.1 |
-0.92 |
0 |
|
|
361207 |
127302162 |
1 |
SO2N4C19H20 |
AB2C4D19E20 |
-1.46 |
6.99 |
-8.38 |
-1.28 |
0 |
|
|
361208 |
127302163 |
2 |
ON2C9H12 |
AB2C9D12 |
-33.31 |
5.34 |
-8.64 |
-1.03 |
0 |
|
|
361209 |
127302164 |
2 |
ON2C9H11 |
AB2C9D11 |
-0.35 |
7.43 |
-8.49 |
-0.98 |
0 |
|
|
361210 |
127302165 |
1 |
O3N4C22H28 |
A3B4C22D28 |
-84.96 |
7.41 |
-8.98 |
-0.8 |
0 |
|
|
361211 |
127302166 |
1 |
N3O3C23H23 |
A3B3C23D23 |
-44.31 |
3.22 |
-9.07 |
-0.91 |
0 |
|
|
361212 |
127302167 |
2 |
ON2C11H15 |
AB2C11D15 |
-39.32 |
6.02 |
-8.44 |
-0.96 |
0 |
|
|
361213 |
127302168 |
1 |
O2N5C20H23 |
A2B5C20D23 |
3.71 |
4.71 |
-8.48 |
-1.06 |
0 |
|
|
361214 |
127302169 |
1 |
O3N5C18H19 |
A3B5C18D19 |
-4.66 |
8.31 |
-9.04 |
-0.87 |
0 |
|
|
361215 |
127302170 |
1 |
O3N5C18H19 |
A3B5C18D19 |
-5.76 |
7.59 |
-9.14 |
-0.95 |
0 |
|
|
361216 |
127302171 |
1 |
SO2N5C16H17 |
AB2C5D16E17 |
21.38 |
9.4 |
-9.13 |
-1.39 |
0 |
|
|
361217 |
127302172 |
1 |
O2N3C19H23 |
A2B3C19D23 |
-37.54 |
6.45 |
-9.05 |
-0.88 |
0 |
|
|
361218 |
127302173 |
1 |
SO3N4C20H20 |
AB3C4D20E20 |
-34.93 |
4.32 |
-8.99 |
-1.04 |
0 |
|
|
361219 |
127302174 |
1 |
SO3N4C19H24 |
AB3C4D19E24 |
-59.74 |
7.4 |
-8.34 |
-1.25 |
0 |
|
|
361220 |
127302175 |
2 |
ON2C10H14 |
AB2C10D14 |
-43.78 |
6.32 |
-8.35 |
-1.03 |
0 |
|
|
361221 |
127302176 |
1 |
SO2N4C19H20 |
AB2C4D19E20 |
1.45 |
6.91 |
-8.45 |
-1.28 |
0 |
|
|
361222 |
127302177 |
1 |
O2N4C19H26 |
A2B4C19D26 |
-39.44 |
6.81 |
-8.41 |
-0.94 |
0 |
|
|
361223 |
127302178 |
2 |
ON2C10H14 |
AB2C10D14 |
-47.2 |
6.51 |
-8.37 |
-1.03 |
0 |
|
|
361224 |
127302179 |
1 |
SO2N5C20H23 |
AB2C5D20E23 |
9.42 |
5.95 |
-8.52 |
-0.96 |
0 |
|
|
361225 |
127302180 |
1 |
O3N4C21H28 |
A3B4C21D28 |
-79.97 |
6.0 |
-8.53 |
-1.04 |
0 |
|
|
361226 |
127302181 |
1 |
O2N3C22H23 |
A2B3C22D23 |
-11.87 |
7.23 |
-8.74 |
-0.91 |
0 |
|
|
361227 |
127302182 |
1 |
SO2N5C18H19 |
AB2C5D18E19 |
22.59 |
5.27 |
-8.66 |
-0.96 |
0 |
|
|
361228 |
127302183 |
1 |
SN4O4C16H20 |
AB4C4D16E20 |
-110.11 |
10.12 |
-9.31 |
-1.18 |
0 |
|
|
361229 |
127302184 |
1 |
O4N5C20H21 |
A4B5C20D21 |
-44.9 |
6.52 |
-9.07 |
-0.89 |
0 |
|
|
361230 |
127302185 |
1 |
N3O3C17H21 |
A3B3C17D21 |
-80.45 |
7.57 |
-9.04 |
-1.0 |
0 |
|
|
361231 |
127302186 |
1 |
O2N3C14H15 |
A2B3C14D15 |
3.98 |
6.62 |
-9.09 |
-0.93 |
0 |
|
|
361232 |
127302187 |
1 |
O3N4C20H26 |
A3B4C20D26 |
-91.15 |
8.41 |
-9.22 |
-1.03 |
0 |
|
|
361233 |
127302397 |
1 |
O3N5C19H25 |
A3B5C19D25 |
-64.91 |
7.69 |
-9.15 |
-0.98 |
0 |
|
|
361234 |
127302398 |
1 |
O3N5C18H23 |
A3B5C18D23 |
-70.97 |
9.42 |
-9.19 |
-1.0 |
0 |
|
|
361235 |
127302399 |
1 |
N3O4C21H31 |
A3B4C21D31 |
-168.83 |
6.77 |
-8.88 |
-0.14 |
0 |
|
|
361236 |
127302400 |
1 |
O2N3C12H21 |
A2B3C12D21 |
-92.2 |
1.99 |
-9.14 |
0.46 |
0 |
|
|
361237 |
127302401 |
1 |
O3N4C17H30 |
A3B4C17D30 |
-154.15 |
5.85 |
-9.34 |
0.29 |
0 |
|
|
361238 |
127302402 |
1 |
N3O4C20H29 |
A3B4C20D29 |
-160.13 |
5.7 |
-8.95 |
-0.28 |
0 |
|
|
361239 |
127302403 |
1 |
SO2N3C19H19 |
AB2C3D19E19 |
0.68 |
6.99 |
-8.98 |
-0.95 |
0 |
|
|
361240 |
127302404 |
1 |
O2N4C21H22 |
A2B4C21D22 |
8.54 |
9.92 |
-9.17 |
-1.01 |
0 |
|
|
361241 |
127302405 |
1 |
O3N5C20H23 |
A3B5C20D23 |
-9.68 |
10.65 |
-8.64 |
-1.07 |
0 |
|
|
361242 |
127302406 |
2 |
ON2C11H15 |
AB2C11D15 |
-19.46 |
2.73 |
-8.64 |
0.11 |
0 |
|
|
361243 |
127302407 |
1 |
N3O4C20H29 |
A3B4C20D29 |
-171.17 |
4.82 |
-8.4 |
-0.15 |
0 |
|
|
361244 |
127302408 |
1 |
O3N4C21H38 |
A3B4C21D38 |
-167.18 |
2.0 |
-8.74 |
0.78 |
0 |
|
|
361245 |
127302409 |
1 |
SN4O4C16H28 |
AB4C4D16E28 |
-149.59 |
2.93 |
-8.51 |
-0.78 |
0 |
|
|
361246 |
127302410 |
1 |
O4N5C18H23 |
A4B5C18D23 |
-155.31 |
5.07 |
-9.12 |
-0.1 |
0 |
|
|
361247 |
127302411 |
1 |
O3N5C19H31 |
A3B5C19D31 |
-107.32 |
3.91 |
-9.46 |
-0.21 |
0 |
|
|
361248 |
127302412 |
1 |
ON2C15H26 |
AB2C15D26 |
-70.29 |
4.22 |
-8.86 |
1.37 |
0 |
|
|
361249 |
127302413 |
1 |
O4N5C13H17 |
A4B5C13D17 |
-115.73 |
2.77 |
-10.0 |
-0.51 |
0 |
|
|
361250 |
127302414 |
1 |
O3N5C18H19 |
A3B5C18D19 |
-6.31 |
4.95 |
-9.09 |
-0.9 |
0 |
|
|
361251 |
127302415 |
2 |
ON2C10H13 |
AB2C10D13 |
-18.13 |
3.1 |
-8.64 |
-0.3 |
0 |
|
|
361252 |
127302416 |
2 |
ON2C8H13 |
AB2C8D13 |
-49.71 |
2.5 |
-8.98 |
-0.06 |
0 |
|
|
361253 |
127302417 |
1 |
O4N5C16H23 |
A4B5C16D23 |
-136.27 |
2.64 |
-9.88 |
-0.4 |
0 |
|
|
361254 |
127302418 |
1 |
O4N5C15H21 |
A4B5C15D21 |
-125.37 |
0.94 |
-10.06 |
-0.43 |
0 |
|
|
361255 |
127302419 |
1 |
O3N5C20H23 |
A3B5C20D23 |
-15.74 |
4.89 |
-9.18 |
-1.01 |
0 |
|
|
361256 |
127302420 |
2 |
ON2C11H15 |
AB2C11D15 |
-26.55 |
1.24 |
-8.98 |
-0.05 |
0 |
|
|
361257 |
127302421 |
1 |
O2N4C21H30 |
A2B4C21D30 |
-50.6 |
6.27 |
-8.36 |
-1.03 |
0 |
|
|
361258 |
127302422 |
1 |
O2N3C21H27 |
A2B3C21D27 |
-22.67 |
7.07 |
-8.99 |
-0.83 |
0 |
|
|
361259 |
127302423 |
1 |
N3O3C16H19 |
A3B3C16D19 |
-68.36 |
6.82 |
-9.13 |
-0.97 |
0 |
|
|
361260 |
127302424 |
1 |
SN4O4C15H18 |
AB4C4D15E18 |
-139.27 |
3.48 |
-9.61 |
-0.77 |
0 |
|
|
361261 |
127302425 |
1 |
SO3N4C20H20 |
AB3C4D20E20 |
-33.08 |
6.01 |
-9.14 |
-0.96 |
0 |
|
|
361262 |
127302426 |
1 |
O2N3C18H23 |
A2B3C18D23 |
-20.84 |
6.61 |
-9.02 |
-0.86 |
0 |
|
|
361263 |
127302427 |
1 |
O2N4C21H38 |
A2B4C21D38 |
-128.83 |
6.25 |
-8.77 |
0.76 |
0 |