List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
369992 |
127337072 |
1 |
F2O3N5C18H19 |
A2B3C5D18E19 |
-158.79 |
6.47 |
-8.68 |
-0.68 |
0 |
|
|
369993 |
127337073 |
1 |
F2O3N4C18H20 |
A2B3C4D18E20 |
-180.28 |
9.83 |
-9.0 |
-0.52 |
0 |
|
|
369994 |
127337082 |
2 |
ON2C11H15 |
AB2C11D15 |
-55.69 |
4.53 |
-8.28 |
0.12 |
0 |
|
|
369995 |
127337083 |
1 |
OSN4C22H30 |
ABC4D22E30 |
-20.51 |
5.84 |
-8.7 |
-0.16 |
0 |
|
|
369996 |
127337084 |
1 |
OSN4C22H30 |
ABC4D22E30 |
-16.14 |
5.58 |
-8.18 |
-0.1 |
0 |
|
|
369997 |
127337088 |
1 |
N3O3C23H27 |
A3B3C23D27 |
-71.34 |
3.49 |
-8.58 |
-0.54 |
0 |
|
|
369998 |
127337089 |
1 |
ClFON5C17H19 |
ABCD5E17F19 |
-39.31 |
5.84 |
-8.69 |
-0.5 |
0 |
|
|
369999 |
127337090 |
1 |
O2N5C22H29 |
A2B5C22D29 |
-35.0 |
5.52 |
-8.52 |
-0.1 |
0 |
|
|
370000 |
127337091 |
2 |
ON2C11H15 |
AB2C11D15 |
-56.39 |
8.89 |
-8.5 |
0.07 |
0 |
|
|
370001 |
127337092 |
1 |
FSN3O4C15H20 |
ABC3D4E15F20 |
-164.0 |
9.81 |
-9.14 |
-0.87 |
0 |
|
|
370002 |
127337120 |
1 |
SO2N5C17H25 |
AB2C5D17E25 |
-41.42 |
4.79 |
-8.66 |
-0.87 |
0 |
|
|
370003 |
127337121 |
1 |
SO2N5C20H25 |
AB2C5D20E25 |
-27.25 |
5.57 |
-8.44 |
-0.62 |
0 |
|
|
370004 |
127337122 |
1 |
O2N6C21H28 |
A2B6C21D28 |
-28.96 |
5.57 |
-8.54 |
-0.23 |
0 |
|
|
370005 |
127337126 |
1 |
O2N6C19H26 |
A2B6C19D26 |
-4.05 |
4.48 |
-8.92 |
-0.82 |
0 |
|
|
370006 |
127337127 |
1 |
SO3N4C19H28 |
AB3C4D19E28 |
-110.99 |
8.92 |
-8.66 |
-0.21 |
0 |
|
|
370007 |
127337128 |
1 |
FO2N7C15H20 |
AB2C7D15E20 |
-31.19 |
7.11 |
-9.34 |
-1.02 |
0 |
|
|
370008 |
127337154 |
1 |
FO3N4C19H29 |
AB3C4D19E29 |
-157.62 |
1.04 |
-8.59 |
-0.36 |
0 |
|
|
370009 |
127337155 |
1 |
O3N4C19H28 |
A3B4C19D28 |
-102.88 |
3.76 |
-8.71 |
-0.43 |
0 |
|
|
370010 |
127337203 |
1 |
ON6C18H30 |
AB6C18D30 |
-19.15 |
5.88 |
-8.64 |
-0.25 |
0 |
|
|
370011 |
127337204 |
1 |
SO3N5C15H23 |
AB3C5D15E23 |
-98.91 |
5.88 |
-8.65 |
-0.19 |
0 |
|
|
370012 |
127337221 |
1 |
ON5C20H27 |
AB5C20D27 |
-1.05 |
5.46 |
-8.49 |
-0.07 |
0 |
|
|
370013 |
127337222 |
1 |
OF2N5C19H23 |
AB2C5D19E23 |
-86.65 |
4.06 |
-8.57 |
-0.61 |
0 |
|
|
370014 |
127337226 |
1 |
O2N3C21H35 |
A2B3C21D35 |
-130.98 |
3.81 |
-8.95 |
1.27 |
0 |
|
|
370015 |
127337230 |
1 |
ON5C20H31 |
AB5C20D31 |
-25.74 |
5.99 |
-8.44 |
-0.03 |
0 |
|
|
370016 |
127337231 |
1 |
O2N3C20H35 |
A2B3C20D35 |
-117.38 |
3.66 |
-8.98 |
1.21 |
0 |
|
|
370017 |
127337232 |
1 |
ON4C20H32 |
AB4C20D32 |
-43.99 |
6.54 |
-8.82 |
0.9 |
0 |
|
|
370018 |
127337233 |
1 |
ON5C20H31 |
AB5C20D31 |
-6.24 |
5.05 |
-8.5 |
-0.09 |
0 |
|
|
370019 |
127337234 |
1 |
ON7C19H27 |
AB7C19D27 |
42.9 |
7.21 |
-9.22 |
-1.08 |
0 |
|
|
370020 |
127337235 |
1 |
ON5C21H27 |
AB5C21D27 |
0.74 |
6.64 |
-8.44 |
0.0 |
0 |
|
|
370021 |
127337236 |
1 |
ON4C21H28 |
AB4C21D28 |
-21.49 |
5.67 |
-8.92 |
0.34 |
0 |
|
|
370022 |
127337237 |
1 |
OCl2N4C18H22 |
AB2C4D18E22 |
-25.81 |
6.03 |
-8.84 |
-0.7 |
0 |
|
|
370023 |
127337238 |
1 |
ON5C19H31 |
AB5C19D31 |
-42.96 |
6.41 |
-8.72 |
-0.55 |
0 |
|
|
370024 |
127337239 |
1 |
ON4C19H32 |
AB4C19D32 |
-58.69 |
5.59 |
-8.9 |
0.98 |
0 |
|
|
370025 |
127337240 |
1 |
ON5C18H29 |
AB5C18D29 |
-35.38 |
3.12 |
-8.54 |
-0.19 |
0 |
|
|
370026 |
127337243 |
1 |
SO2N3C19H35 |
AB2C3D19E35 |
-116.19 |
5.11 |
-8.38 |
0.77 |
0 |
|
|
370027 |
127337244 |
1 |
O3N4C21H38 |
A3B4C21D38 |
-167.48 |
5.13 |
-8.93 |
0.91 |
0 |
|
|
370028 |
127337245 |
1 |
SN3O3C18H33 |
AB3C3D18E33 |
-144.49 |
4.11 |
-8.44 |
0.73 |
0 |
|
|
370029 |
127337246 |
1 |
O3N4C19H36 |
A3B4C19D36 |
-148.85 |
5.29 |
-8.72 |
0.97 |
0 |
|
|
370030 |
127337247 |
1 |
ON3C13H23 |
AB3C13D23 |
-57.73 |
2.0 |
-8.78 |
1.19 |
0 |
|
|
370031 |
127337248 |
1 |
O2N4C17H32 |
A2B4C17D32 |
-115.48 |
2.89 |
-8.87 |
1.18 |
0 |
|
|
370032 |
127337249 |
1 |
N3O3C14H27 |
A3B3C14D27 |
-161.52 |
2.51 |
-8.84 |
1.1 |
0 |
|
|
370033 |
127337250 |
1 |
ON6C18H24 |
AB6C18D24 |
16.11 |
4.94 |
-8.49 |
-0.35 |
0 |
|
|
370034 |
127337251 |
1 |
ClON5C19H24 |
ABC5D19E24 |
-2.43 |
5.25 |
-8.47 |
-0.32 |
0 |
|
|
370035 |
127337252 |
1 |
ClON4C19H25 |
ABC4D19E25 |
-22.33 |
5.58 |
-8.74 |
-0.27 |
0 |
|
|
370036 |
127337253 |
1 |
ClON5C19H24 |
ABC5D19E24 |
-2.39 |
4.56 |
-8.5 |
-0.43 |
0 |
|
|
370037 |
127337254 |
1 |
ClON4C19H25 |
ABC4D19E25 |
-21.78 |
6.5 |
-8.87 |
-0.23 |
0 |
|
|
370038 |
127337255 |
1 |
ClON5C19H24 |
ABC5D19E24 |
-2.18 |
4.32 |
-8.51 |
-0.45 |
0 |
|
|
370039 |
127337257 |
1 |
ON5C20H35 |
AB5C20D35 |
-55.31 |
6.36 |
-8.55 |
0.99 |
0 |
|
|
370040 |
127337258 |
1 |
ON8C19H30 |
AB8C19D30 |
37.14 |
6.47 |
-8.86 |
-1.14 |
0 |
|
|
370041 |
127337259 |
1 |
ON4C21H30 |
AB4C21D30 |
-24.86 |
8.44 |
-8.98 |
-0.04 |
0 |