List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
308294 |
125326007 |
1 |
O3N6C17H22 |
A3B6C17D22 |
-47.17 |
6.79 |
-9.34 |
-1.64 |
0 |
|
|
308295 |
125326009 |
1 |
ClO2N3H10C13 |
AB2C3D10E13 |
11.84 |
4.73 |
-9.34 |
-1.14 |
0 |
|
|
308296 |
125326013 |
1 |
NO14C42H49 |
AB14C42D49 |
-542.91 |
6.53 |
-9.06 |
0.08 |
0 |
|
|
308297 |
125326015 |
1 |
OSN3H19C21 |
ABC3D19E21 |
81.63 |
4.42 |
-9.27 |
-2.09 |
0 |
|
|
308299 |
125326028 |
1 |
PN6O8C41H49 |
AB6C8D41E49 |
-221.32 |
10.15 |
-8.97 |
-0.42 |
0 |
|
|
308300 |
125326032 |
1 |
ClFN3O3S3H11C18 |
ABC3D3E3F11G18 |
-27.52 |
2.48 |
-8.92 |
-1.67 |
0 |
|
|
308301 |
125326044 |
1 |
ClN5O8C15H16 |
AB5C8D15E16 |
-249.9 |
3.61 |
-10.28 |
-1.5 |
0 |
|
|
308302 |
125326045 |
1 |
FN6H13C17 |
AB6C13D17 |
139.75 |
6.02 |
-9.81 |
-1.66 |
0 |
|
|
308303 |
125326049 |
1 |
SN5O5C19H23 |
AB5C5D19E23 |
-152.43 |
7.54 |
-9.24 |
-1.22 |
0 |
|
|
308304 |
125326058 |
2 |
N2O2C11H14 |
A2B2C11D14 |
-65.95 |
6.73 |
-8.77 |
-1.32 |
0 |
|
|
308305 |
125326059 |
1 |
OSCl2N4H14C17 |
ABC2D4E14F17 |
63.92 |
5.91 |
-9.02 |
-1.59 |
0 |
|
|
308306 |
125326068 |
1 |
O5C20H28 |
A5B20C28 |
-194.39 |
5.3 |
-8.71 |
-0.15 |
0 |
|
|
308308 |
125326071 |
1 |
O2N6C13H16 |
A2B6C13D16 |
32.2 |
4.26 |
-8.85 |
-0.54 |
0 |
|
|
308309 |
125326088 |
1 |
BrON4H7C9 |
ABC4D7E9 |
72.91 |
1.83 |
-9.63 |
-2.07 |
0 |
|
|
308310 |
125326089 |
1 |
N2H10C13 |
A2B10C13 |
112.08 |
4.89 |
-9.5 |
-1.38 |
0 |
|
|
308311 |
125326090 |
1 |
N2H10C13 |
A2B10C13 |
111.97 |
4.72 |
-9.52 |
-1.38 |
0 |
|
|
308312 |
125326099 |
1 |
NO2F3H8C11 |
AB2C3D8E11 |
-175.96 |
3.84 |
-9.94 |
-2.12 |
0 |
|
|
308313 |
125326103 |
1 |
O4N5C23H23 |
A4B5C23D23 |
31.79 |
7.54 |
-9.42 |
-1.32 |
0 |
|
|
308314 |
125326106 |
1 |
N2O2C21H22 |
A2B2C21D22 |
-3.07 |
2.77 |
-8.86 |
-1.88 |
0 |
|
|
308315 |
125326109 |
1 |
O2N3C13H17 |
A2B3C13D17 |
-53.01 |
8.03 |
-9.04 |
-0.89 |
0 |
|
|
308316 |
125326110 |
1 |
O2N3C13H17 |
A2B3C13D17 |
-50.99 |
7.05 |
-9.18 |
-1.12 |
0 |
|
|
308317 |
125326112 |
1 |
BrSO2N5C15H16 |
ABC2D5E15F16 |
2.27 |
3.34 |
-9.27 |
-1.34 |
0 |
|
|
308318 |
125326118 |
1 |
O3N6H20C21 |
A3B6C20D21 |
37.87 |
4.77 |
-9.39 |
-1.86 |
0 |
|
|
308319 |
125326120 |
1 |
BrN3O3C23H24 |
AB3C3D23E24 |
-9.04 |
6.83 |
-9.49 |
-1.26 |
0 |
|
|
308320 |
125326128 |
1 |
SO3N4C15H18 |
AB3C4D15E18 |
-68.5 |
3.97 |
-9.58 |
-2.02 |
0 |
|
|
308321 |
125326139 |
1 |
O3N7C19H21 |
A3B7C19D21 |
14.59 |
7.45 |
-8.9 |
-1.35 |
0 |
|
|
308322 |
125326145 |
2 |
ON2C7H10 |
AB2C7D10 |
-30.14 |
2.33 |
-9.87 |
-1.3 |
0 |
|
|
308323 |
125326153 |
1 |
SO3N5C13H19 |
AB3C5D13E19 |
-67.44 |
8.95 |
-8.95 |
-0.86 |
0 |
|
|
308324 |
125326161 |
1 |
ClNO3H14C16 |
ABC3D14E16 |
-85.03 |
3.6 |
-9.73 |
-1.05 |
0 |
|
|
308325 |
125326169 |
2 |
O2N3C5H9 |
A2B3C5D9 |
-37.58 |
2.69 |
-9.67 |
-0.24 |
0 |
|
|
308326 |
125326170 |
2 |
O2N3C5H9 |
A2B3C5D9 |
-46.41 |
4.02 |
-9.84 |
-0.18 |
0 |
|
|
308327 |
125326173 |
1 |
O4N5H19C21 |
A4B5C19D21 |
-93.11 |
4.57 |
-9.07 |
-1.1 |
0 |
|
|
308328 |
125326179 |
1 |
ON8C19H22 |
AB8C19D22 |
109.8 |
10.24 |
-8.65 |
-1.36 |
0 |
|
|
308329 |
125326182 |
1 |
ON4H16C17 |
AB4C16D17 |
56.91 |
7.07 |
-8.91 |
-0.83 |
0 |
|
|
308331 |
125326191 |
1 |
ClFSN3O3H17C20 |
ABCD3E3F17G20 |
-54.63 |
5.5 |
-8.88 |
-0.99 |
0 |
|
|
308332 |
125326215 |
2 |
OH9C10 |
AB9C10 |
-19.83 |
2.01 |
-8.76 |
0.0 |
0 |
|
|
308333 |
125326216 |
2 |
OH9C10 |
AB9C10 |
-19.07 |
2.5 |
-9.07 |
-0.1 |
0 |
|
|
308334 |
125326221 |
1 |
SO3N4H26C28 |
AB3C4D26E28 |
2.38 |
6.52 |
-8.46 |
-2.04 |
0 |
|
|
308335 |
125326230 |
4 |
OC5H9 |
AB5C9 |
-237.43 |
8.33 |
-9.95 |
0.68 |
0 |
|
|
308336 |
125326231 |
1 |
ClN2O8C27H33 |
AB2C8D27E33 |
-305.65 |
6.35 |
-8.48 |
-0.63 |
0 |
|
|
308337 |
125326232 |
1 |
ClN2O8C27H33 |
AB2C8D27E33 |
-305.61 |
3.97 |
-8.9 |
-0.49 |
0 |
|
|
308341 |
125326248 |
1 |
OSF3N3H16C20 |
ABC3D3E16F20 |
-90.0 |
5.91 |
-9.32 |
-2.02 |
0 |
|
|
308342 |
125326249 |
1 |
FSO2N5H16C20 |
ABC2D5E16F20 |
-15.43 |
5.78 |
-9.15 |
-1.21 |
0 |
|
|
308343 |
125326251 |
1 |
ClSO3N4H17C19 |
ABC3D4E17F19 |
-13.82 |
4.85 |
-8.92 |
-2.19 |
0 |
|
|
308344 |
125326253 |
1 |
PSN4O7C21H33 |
ABC4D7E21F33 |
-321.37 |
7.24 |
-8.7 |
-1.92 |
0 |
|
|
308345 |
125326255 |
1 |
PSN4O7C21H33 |
ABC4D7E21F33 |
-292.79 |
8.16 |
-8.99 |
-2.24 |
0 |
|
|
308346 |
125326262 |
1 |
SN6C11H14 |
AB6C11D14 |
143.01 |
6.67 |
-8.7 |
-1.56 |
0 |
|
|
308347 |
125326263 |
1 |
SN6C11H14 |
AB6C11D14 |
137.47 |
8.01 |
-8.79 |
-1.28 |
0 |
|
|
308348 |
125326266 |
1 |
N5O8C16H19 |
A5B8C16D19 |
-267.12 |
8.95 |
-9.82 |
-1.8 |
0 |
|
|
308349 |
125326267 |
1 |
N5O8C16H19 |
A5B8C16D19 |
-272.41 |
7.22 |
-9.74 |
-1.72 |
0 |