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 |
|
|
370042 |
127337260 |
1 |
ON5C22H31 |
AB5C22D31 |
2.48 |
4.23 |
-8.71 |
-0.31 |
0 |
|
|
370043 |
127337261 |
1 |
OF3N4C20H25 |
AB3C4D20E25 |
-176.03 |
6.5 |
-8.91 |
-0.59 |
0 |
|
|
370044 |
127337272 |
1 |
O3N5C21H27 |
A3B5C21D27 |
-65.99 |
7.68 |
-8.44 |
-0.12 |
0 |
|
|
370045 |
127337273 |
2 |
ON3C9H13 |
AB3C9D13 |
-23.6 |
4.62 |
-8.97 |
-0.74 |
0 |
|
|
370046 |
127337274 |
1 |
N2O3C18H30 |
A2B3C18D30 |
-178.81 |
4.97 |
-9.58 |
1.02 |
0 |
|
|
370047 |
127337275 |
1 |
ON5C21H31 |
AB5C21D31 |
-21.08 |
6.06 |
-8.77 |
-0.31 |
0 |
|
|
370048 |
127337276 |
1 |
ON7C20H27 |
AB7C20D27 |
31.75 |
6.8 |
-9.26 |
-1.15 |
0 |
|
|
370049 |
127337277 |
1 |
ClON4C21H27 |
ABC4D21E27 |
-0.1 |
7.59 |
-8.86 |
-0.32 |
0 |
|
|
370050 |
127337278 |
1 |
ON8C19H28 |
AB8C19D28 |
25.39 |
7.37 |
-8.52 |
-0.09 |
0 |
|
|
370051 |
127337279 |
1 |
ON6C21H36 |
AB6C21D36 |
-27.42 |
5.67 |
-8.48 |
-0.06 |
0 |
|
|
370052 |
127337280 |
1 |
ON5C21H37 |
AB5C21D37 |
-48.33 |
5.48 |
-8.53 |
0.88 |
0 |
|
|
370053 |
127337281 |
1 |
ON6C21H36 |
AB6C21D36 |
-14.43 |
6.25 |
-8.6 |
-0.24 |
0 |
|
|
370054 |
127337284 |
1 |
FO2N3C19H28 |
AB2C3D19E28 |
-111.78 |
1.37 |
-8.72 |
-0.16 |
0 |
|
|
370055 |
127337285 |
2 |
ON3C10H17 |
AB3C10D17 |
-69.16 |
6.32 |
-8.45 |
-0.03 |
0 |
|
|
370056 |
127337305 |
1 |
SN3O4C19H27 |
AB3C4D19E27 |
-140.84 |
6.68 |
-9.36 |
-0.14 |
0 |
|
|
370057 |
127337306 |
1 |
ON5C23H31 |
AB5C23D31 |
13.01 |
2.09 |
-8.62 |
-0.27 |
0 |
|
|
370058 |
127337310 |
1 |
ON5C22H29 |
AB5C22D29 |
33.3 |
6.37 |
-8.7 |
-0.4 |
0 |
|
|
370059 |
127337311 |
1 |
ON5C22H29 |
AB5C22D29 |
15.43 |
5.95 |
-8.49 |
-0.09 |
0 |
|
|
370060 |
127337312 |
1 |
ON4C22H30 |
AB4C22D30 |
-8.01 |
5.28 |
-8.89 |
0.22 |
0 |
|
|
370061 |
127337313 |
1 |
ON5C22H29 |
AB5C22D29 |
29.72 |
5.94 |
-8.77 |
-0.28 |
0 |
|
|
370062 |
127337314 |
1 |
ON4C21H28 |
AB4C21D28 |
9.79 |
4.66 |
-9.0 |
0.21 |
0 |
|
|
370063 |
127337318 |
1 |
O2N5C21H37 |
A2B5C21D37 |
-94.95 |
6.06 |
-8.45 |
0.77 |
0 |
|
|
370064 |
127337326 |
1 |
SO3N5C17H29 |
AB3C5D17E29 |
-127.69 |
9.05 |
-9.07 |
0.55 |
0 |
|
|
370065 |
127337327 |
1 |
SO3N6C17H28 |
AB3C6D17E28 |
-87.32 |
5.97 |
-8.69 |
-0.27 |
0 |
|
|
370066 |
127337328 |
1 |
ON8C18H26 |
AB8C18D26 |
68.21 |
8.0 |
-9.12 |
-1.17 |
0 |
|
|
370067 |
127337329 |
1 |
O3N4C17H30 |
A3B4C17D30 |
-145.75 |
4.26 |
-8.65 |
0.74 |
0 |
|
|
370068 |
127337330 |
1 |
O2N6C17H26 |
A2B6C17D26 |
-57.77 |
7.25 |
-8.42 |
0.0 |
0 |
|
|
370069 |
127337331 |
1 |
O2N5C17H27 |
A2B5C17D27 |
-78.21 |
4.06 |
-8.91 |
0.69 |
0 |
|
|
370070 |
127337332 |
1 |
O2N6C17H26 |
A2B6C17D26 |
-40.76 |
6.85 |
-8.71 |
-0.22 |
0 |
|
|
370071 |
127337333 |
2 |
ON4C8H11 |
AB4C8D11 |
16.76 |
10.41 |
-9.3 |
-1.06 |
0 |
|
|
370072 |
127337335 |
1 |
OF3N4C18H27 |
AB3C4D18E27 |
-218.7 |
6.01 |
-9.34 |
0.47 |
0 |
|
|
370073 |
127337336 |
1 |
ON8C19H30 |
AB8C19D30 |
32.51 |
6.97 |
-8.95 |
-1.16 |
0 |
|
|
370074 |
127337337 |
1 |
OF3N5C18H26 |
AB3C5D18E26 |
-193.31 |
8.28 |
-8.47 |
-0.02 |
0 |
|
|
370075 |
127337338 |
1 |
OF3N4C18H27 |
AB3C4D18E27 |
-213.26 |
8.36 |
-9.01 |
0.68 |
0 |
|
|
370076 |
127337339 |
1 |
OF3N5C18H26 |
AB3C5D18E26 |
-177.13 |
8.68 |
-8.82 |
-0.38 |
0 |
|
|
370077 |
127337340 |
1 |
O3N4C20H38 |
A3B4C20D38 |
-151.42 |
3.31 |
-8.71 |
1.14 |
0 |
|
|
370078 |
127337341 |
2 |
ON3C10H17 |
AB3C10D17 |
-65.43 |
6.55 |
-8.56 |
-0.13 |
0 |
|
|
370079 |
127337379 |
1 |
O3N5C19H35 |
A3B5C19D35 |
-149.69 |
3.94 |
-9.03 |
0.84 |
0 |
|
|
370080 |
127337380 |
1 |
ON6C18H24 |
AB6C18D24 |
15.41 |
3.64 |
-8.5 |
-0.29 |
0 |
|
|
370081 |
127337382 |
1 |
ON5C22H31 |
AB5C22D31 |
-6.98 |
5.99 |
-8.44 |
-0.03 |
0 |
|
|
370082 |
127337383 |
1 |
OSN4C20H24 |
ABC4D20E24 |
11.09 |
5.86 |
-8.62 |
-0.48 |
0 |
|
|
370083 |
127337384 |
1 |
ON4C19H32 |
AB4C19D32 |
-51.65 |
5.19 |
-9.03 |
0.76 |
0 |
|
|
370084 |
127337385 |
1 |
O2N3C21H37 |
A2B3C21D37 |
-127.48 |
3.62 |
-8.97 |
1.27 |
0 |
|
|
370085 |
127337386 |
1 |
ON7C20H29 |
AB7C20D29 |
36.53 |
9.06 |
-9.22 |
-1.09 |
0 |
|
|
370086 |
127337391 |
1 |
ON5C22H29 |
AB5C22D29 |
-2.35 |
6.03 |
-8.54 |
-0.12 |
0 |
|
|
370087 |
127337392 |
1 |
ON4C22H30 |
AB4C22D30 |
-23.63 |
5.44 |
-8.88 |
0.29 |
0 |
|
|
370088 |
127337393 |
1 |
ON5C22H29 |
AB5C22D29 |
12.47 |
5.45 |
-8.72 |
-0.33 |
0 |
|
|
370089 |
127337405 |
1 |
N3O3C22H35 |
A3B3C22D35 |
-141.31 |
4.52 |
-8.68 |
0.64 |
0 |
|
|
370090 |
127337406 |
1 |
O2N5C22H31 |
A2B5C22D31 |
-52.35 |
6.33 |
-8.45 |
-0.06 |
0 |
|
|
370091 |
127337407 |
1 |
O2N5C22H31 |
A2B5C22D31 |
-37.86 |
4.62 |
-8.45 |
-0.08 |
0 |