List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
286200 |
104160171 |
1 |
ON3C12H17 |
AB3C12D17 |
-24.5 |
6.44 |
-9.27 |
-0.33 |
0 |
|
|
286201 |
104160173 |
1 |
N2C11H16 |
A2B11C16 |
33.41 |
1.22 |
-8.96 |
0.13 |
0 |
|
|
286202 |
104160939 |
1 |
N3O3C13H25 |
A3B3C13D25 |
-145.86 |
3.74 |
-8.94 |
0.61 |
0 |
|
|
286203 |
104161043 |
1 |
SN2O2C9H18 |
AB2C2D9E18 |
-97.71 |
4.93 |
-8.83 |
-0.61 |
0 |
|
|
286204 |
104161072 |
1 |
SN2O2C9H18 |
AB2C2D9E18 |
-101.07 |
4.72 |
-8.65 |
-0.21 |
0 |
|
|
286205 |
104161215 |
1 |
F2N2O3C14H16 |
A2B2C3D14E16 |
-185.71 |
3.28 |
-9.71 |
-1.13 |
0 |
|
|
286206 |
104161216 |
1 |
Cl2N2O3C14H16 |
A2B2C3D14E16 |
-110.26 |
3.61 |
-9.27 |
-0.94 |
0 |
|
|
286207 |
104161219 |
1 |
N2O3C14H18 |
A2B3C14D18 |
-96.35 |
6.56 |
-9.25 |
-0.62 |
0 |
|
|
286208 |
104161246 |
1 |
NO3C12H23 |
AB3C12D23 |
-154.93 |
3.76 |
-9.4 |
1.07 |
0 |
|
|
286209 |
104161248 |
1 |
N2O3C13H26 |
A2B3C13D26 |
-158.51 |
6.64 |
-8.87 |
1.14 |
0 |
|
|
286210 |
104161396 |
1 |
N2O2C15H30 |
A2B2C15D30 |
-121.35 |
3.3 |
-8.95 |
1.23 |
0 |
|
|
286211 |
104161488 |
1 |
ClNO3C16H20 |
ABC3D16E20 |
-104.86 |
4.77 |
-8.85 |
-0.65 |
0 |
|
|
286212 |
104162129 |
1 |
NSO4C13H13 |
ABC4D13E13 |
-152.18 |
2.19 |
-9.54 |
-1.24 |
0 |
|
|
286213 |
104162175 |
1 |
ClNSO2C14H16 |
ABCD2E14F16 |
-87.99 |
3.85 |
-9.55 |
-1.24 |
0 |
|
|
286214 |
104162344 |
1 |
NSO3C9H15 |
ABC3D9E15 |
-158.36 |
3.11 |
-9.57 |
-0.43 |
0 |
|
|
286215 |
104162390 |
1 |
SN2O2C12H14 |
AB2C2D12E14 |
-59.17 |
4.98 |
-8.83 |
-1.27 |
0 |
|
|
286216 |
104162421 |
1 |
O2S2N4C7H8 |
A2B2C4D7E8 |
-28.87 |
3.97 |
-9.51 |
-1.07 |
0 |
|
|
286217 |
104162496 |
1 |
SN3O3C12H13 |
AB3C3D12E13 |
-85.51 |
3.66 |
-9.95 |
-0.94 |
0 |
|
|
286218 |
104162519 |
1 |
SN3O3C14H17 |
AB3C3D14E17 |
-97.64 |
2.68 |
-9.52 |
-1.22 |
0 |
|
|
286219 |
104162698 |
1 |
NO3C15H19 |
AB3C15D19 |
-127.51 |
9.74 |
-9.07 |
-0.73 |
0 |
|
|
286220 |
104162699 |
1 |
NO5C14H17 |
AB5C14D17 |
-176.2 |
9.06 |
-9.16 |
-0.78 |
0 |
|
|
286221 |
104162700 |
1 |
NSO3H15C16 |
ABC3D15E16 |
-89.88 |
10.11 |
-9.01 |
-0.72 |
0 |
|
|
286222 |
104162747 |
1 |
NSO3H13C15 |
ABC3D13E15 |
-75.55 |
9.02 |
-9.15 |
-0.73 |
0 |
|
|
286223 |
104162846 |
1 |
SN3O4C13H13 |
AB3C4D13E13 |
-107.6 |
6.56 |
-8.97 |
-0.59 |
0 |
|
|
286224 |
104162870 |
1 |
SN2O4C13H16 |
AB2C4D13E16 |
-139.42 |
5.25 |
-9.07 |
-0.66 |
0 |
|
|
286225 |
104162871 |
1 |
SN2O4C13H18 |
AB2C4D13E18 |
-147.35 |
7.45 |
-9.1 |
-0.67 |
0 |
|
|
286226 |
104162872 |
1 |
NSO5C13H17 |
ABC5D13E17 |
-188.71 |
8.13 |
-9.08 |
-0.61 |
0 |
|
|
286227 |
104162881 |
1 |
N3C17H17 |
A3B17C17 |
66.61 |
4.01 |
-8.48 |
-0.2 |
0 |
|
|
286228 |
104162885 |
1 |
N3H15C16 |
A3B15C16 |
64.4 |
3.61 |
-8.34 |
-0.48 |
0 |
|
|
286229 |
104162912 |
1 |
ON3H15C16 |
AB3C15D16 |
32.73 |
2.05 |
-8.28 |
-0.41 |
0 |
|
|
286230 |
104163080 |
1 |
N2O3C16H20 |
A2B3C16D20 |
-114.69 |
7.58 |
-9.15 |
-0.77 |
0 |
|
|
286231 |
104163128 |
1 |
ON4H12C15 |
AB4C12D15 |
88.85 |
6.45 |
-8.8 |
-1.1 |
0 |
|
|
286232 |
104163316 |
1 |
N3O3H13C15 |
A3B3C13D15 |
-61.99 |
11.05 |
-9.19 |
-0.88 |
0 |
|
|
286233 |
104163345 |
1 |
N2O3C16H20 |
A2B3C16D20 |
-113.66 |
9.91 |
-9.03 |
-0.64 |
0 |
|
|
286234 |
104163346 |
1 |
N2O3C15H20 |
A2B3C15D20 |
-118.08 |
9.63 |
-9.0 |
-0.62 |
0 |
|
|
286235 |
104163966 |
1 |
N3O4C13H15 |
A3B4C13D15 |
-127.63 |
7.45 |
-9.04 |
-0.69 |
0 |
|
|
286236 |
104163967 |
1 |
SN2O2H12C13 |
AB2C2D12E13 |
-19.83 |
8.59 |
-8.75 |
-1.01 |
0 |
|
|
286237 |
104164174 |
2 |
NOC7H10 |
ABC7D10 |
-72.82 |
4.12 |
-8.56 |
-0.04 |
0 |
|
|
286238 |
104164176 |
1 |
ON2C17H18 |
AB2C17D18 |
-10.01 |
4.24 |
-8.51 |
-0.15 |
0 |
|
|
286239 |
104164188 |
1 |
ON2C17H18 |
AB2C17D18 |
-1.5 |
3.94 |
-8.59 |
-0.12 |
0 |
|
|
286240 |
104164222 |
2 |
NC8H9 |
AB8C9 |
48.64 |
3.15 |
-8.17 |
0.27 |
0 |
|
|
286241 |
104169945 |
1 |
ON2C15H22 |
AB2C15D22 |
-19.98 |
3.52 |
-8.38 |
0.08 |
0 |
|
|
286242 |
104169946 |
1 |
ON2C16H24 |
AB2C16D24 |
-22.43 |
4.01 |
-8.36 |
0.05 |
0 |
|
|
286243 |
104169947 |
1 |
ON2C16H24 |
AB2C16D24 |
-25.98 |
1.9 |
-8.23 |
0.24 |
0 |
|
|
286244 |
104169948 |
1 |
ON2C16H22 |
AB2C16D22 |
5.67 |
1.35 |
-8.32 |
0.11 |
0 |
|
|
286245 |
104169949 |
1 |
ON2C17H26 |
AB2C17D26 |
-33.13 |
3.02 |
-8.3 |
0.13 |
0 |
|
|
286246 |
104169950 |
1 |
ON2C17H26 |
AB2C17D26 |
-27.74 |
3.95 |
-8.33 |
0.09 |
0 |
|
|
286247 |
104169951 |
2 |
NOC8H12 |
ABC8D12 |
-53.77 |
1.66 |
-8.29 |
0.14 |
0 |
|
|
286248 |
104169952 |
1 |
ON3C9H17 |
AB3C9D17 |
-11.69 |
2.47 |
-9.32 |
0.73 |
0 |
|
|
286249 |
104169953 |
1 |
ON3C10H19 |
AB3C10D19 |
-16.63 |
3.12 |
-9.29 |
0.82 |
0 |