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 |
|
|
308350 |
125326269 |
1 |
N5O8C16H19 |
A5B8C16D19 |
-266.26 |
7.0 |
-9.88 |
-1.84 |
0 |
|
|
308351 |
125326271 |
1 |
SN3O3C23H23 |
AB3C3D23E23 |
-35.2 |
5.8 |
-9.19 |
-1.84 |
0 |
|
|
308357 |
125326294 |
1 |
N3O5H15C21 |
A3B5C15D21 |
-108.45 |
5.11 |
-9.33 |
-1.28 |
0 |
|
|
308358 |
125326333 |
1 |
OSN4C19H20 |
ABC4D19E20 |
91.07 |
2.7 |
-8.41 |
-1.36 |
0 |
|
|
308359 |
125326341 |
2 |
O2C9H13 |
A2B9C13 |
-188.58 |
6.0 |
-10.58 |
-1.19 |
0 |
|
|
308360 |
125326406 |
1 |
ON3H21C22 |
AB3C21D22 |
79.7 |
2.08 |
-8.87 |
-1.04 |
0 |
|
|
308362 |
125326480 |
1 |
SO4N5C17H17 |
AB4C5D17E17 |
-65.43 |
3.09 |
-9.35 |
-1.47 |
0 |
|
|
308363 |
125326494 |
1 |
N2O3C26H26 |
A2B3C26D26 |
-6.03 |
2.91 |
-8.7 |
-0.8 |
0 |
|
|
308364 |
125326498 |
1 |
BrS2N3O4C22H22 |
AB2C3D4E22F22 |
-79.8 |
5.16 |
-9.04 |
-1.74 |
0 |
|
|
308365 |
125326553 |
1 |
O4N6H16C17 |
A4B6C16D17 |
20.33 |
9.79 |
-9.45 |
-1.82 |
0 |
|
|
308367 |
125326579 |
1 |
SO3N4C20H20 |
AB3C4D20E20 |
-44.71 |
4.53 |
-9.2 |
-1.48 |
0 |
|
|
308368 |
125326605 |
1 |
N2O4H14C15 |
A2B4C14D15 |
-98.26 |
6.21 |
-10.17 |
-1.82 |
0 |
|
|
308369 |
125326616 |
1 |
O5N6C17H20 |
A5B6C17D20 |
-96.96 |
6.02 |
-9.87 |
-1.83 |
0 |
|
|
308370 |
125326617 |
1 |
O5N6C17H20 |
A5B6C17D20 |
-105.1 |
5.01 |
-9.75 |
-1.9 |
0 |
|
|
308371 |
125326618 |
1 |
ClSO3N5C20H24 |
ABC3D5E20F24 |
-48.39 |
4.25 |
-8.49 |
-1.24 |
0 |
|
|
308372 |
125326629 |
1 |
F3O3N4H13C16 |
A3B3C4D13E16 |
-204.39 |
7.9 |
-9.72 |
-1.49 |
0 |
|
|
308373 |
125326640 |
1 |
N2O3H12C18 |
A2B3C12D18 |
55.38 |
4.03 |
-8.69 |
-2.49 |
0 |
|
|
308374 |
125326641 |
2 |
ON2C7H7 |
AB2C7D7 |
12.64 |
7.6 |
-8.94 |
-0.87 |
0 |
|
|
308375 |
125326642 |
2 |
ON2C7H7 |
AB2C7D7 |
12.77 |
7.84 |
-8.95 |
-0.86 |
0 |
|
|
308377 |
125326647 |
1 |
SN3O4C17H21 |
AB3C4D17E21 |
-135.94 |
3.89 |
-8.63 |
-1.02 |
0 |
|
|
308379 |
125326702 |
1 |
ON5C19H21 |
AB5C19D21 |
56.33 |
3.23 |
-8.99 |
-1.15 |
0 |
|
|
308380 |
125326726 |
1 |
O3N4C28H34 |
A3B4C28D34 |
-9.66 |
3.03 |
-8.7 |
-1.57 |
0 |
|
|
308381 |
125326739 |
1 |
S2N5O10C26H41 |
A2B5C10D26E41 |
-416.78 |
4.04 |
-9.19 |
-1.09 |
0 |
|
|
308382 |
125326757 |
1 |
BrN3O5H20C21 |
AB3C5D20E21 |
-67.25 |
9.91 |
-9.25 |
-1.28 |
0 |
|
|
308383 |
125326760 |
1 |
BrN3O5H20C21 |
AB3C5D20E21 |
-69.0 |
10.4 |
-9.13 |
-1.32 |
0 |
|
|
308385 |
125326776 |
1 |
OCl2N2H22C26 |
AB2C2D22E26 |
89.43 |
3.07 |
-9.03 |
-1.19 |
0 |
|
|
308386 |
125326783 |
2 |
ON2C4H5 |
AB2C4D5 |
6.65 |
3.98 |
-9.68 |
-1.01 |
0 |
|
|
308387 |
125326852 |
1 |
OSN5C17H19 |
ABC5D17E19 |
35.55 |
6.21 |
-8.25 |
-0.67 |
0 |
|
|
308389 |
125326859 |
1 |
N3O3C27H29 |
A3B3C27D29 |
-35.55 |
4.46 |
-8.7 |
-1.12 |
0 |
|
|
308390 |
125326860 |
2 |
NOH8C9 |
ABC8D9 |
19.47 |
2.19 |
-9.13 |
-1.36 |
0 |
|
|
308391 |
125326861 |
1 |
N2O4H18C21 |
A2B4C18D21 |
-65.5 |
2.78 |
-9.32 |
-1.53 |
0 |
|
|
308392 |
125326865 |
1 |
N4O4C25H28 |
A4B4C25D28 |
-112.16 |
7.35 |
-8.94 |
-0.75 |
0 |
|
|
308393 |
125326866 |
2 |
N2O2H13C15 |
A2B2C13D15 |
-69.5 |
1.42 |
-8.92 |
-1.15 |
0 |
|
|
308397 |
125326873 |
1 |
ClN2O3C17H19 |
AB2C3D17E19 |
-80.82 |
6.08 |
-9.02 |
-1.08 |
0 |
|
|
308401 |
125326888 |
1 |
SO3N4C20H22 |
AB3C4D20E22 |
-32.69 |
4.47 |
-9.61 |
-1.32 |
0 |
|
|
308402 |
125326889 |
1 |
SO3N4C20H22 |
AB3C4D20E22 |
-32.7 |
4.3 |
-9.6 |
-1.32 |
0 |
|
|
308404 |
125326926 |
1 |
SO2N3C14H25 |
AB2C3D14E25 |
-67.49 |
5.26 |
-8.59 |
-1.22 |
0 |
|
|
308405 |
125326927 |
1 |
N3O6C32H33 |
A3B6C32D33 |
-109.17 |
5.41 |
-8.24 |
-1.05 |
0 |
|
|
308406 |
125326930 |
1 |
SO2N3C14H25 |
AB2C3D14E25 |
-69.27 |
2.91 |
-8.64 |
-1.01 |
0 |
|
|
308407 |
125326933 |
1 |
O3N6H10C11 |
A3B6C10D11 |
-6.01 |
8.61 |
-9.62 |
-1.4 |
0 |
|
|
308408 |
125326934 |
1 |
SN3O3C8H9 |
AB3C3D8E9 |
-56.99 |
2.86 |
-9.51 |
-0.98 |
0 |
|
|
308409 |
125326936 |
1 |
SN3O6C34H43 |
AB3C6D34E43 |
-162.76 |
7.77 |
-8.38 |
-0.86 |
0 |
|
|
308410 |
125326937 |
1 |
FN2O3H13C14 |
AB2C3D13E14 |
-96.09 |
4.18 |
-9.87 |
-1.73 |
0 |
|
|
308411 |
125327208 |
1 |
ClNO6C24H28 |
ABC6D24E28 |
-221.2 |
2.56 |
-8.43 |
-0.03 |
0 |
|
|
308412 |
125327209 |
1 |
ClNO6C24H28 |
ABC6D24E28 |
-220.72 |
5.6 |
-8.42 |
-0.11 |
0 |
|
|
308413 |
125327215 |
1 |
BrN3O3H18C19 |
AB3C3D18E19 |
-18.51 |
4.73 |
-9.02 |
-1.08 |
0 |
|
|
308414 |
125327222 |
1 |
BrN3O3H16C18 |
AB3C3D16E18 |
26.78 |
7.43 |
-9.84 |
-1.64 |
0 |
|
|
308415 |
125327233 |
2 |
FNC13H13 |
ABC13D13 |
-1.7 |
3.38 |
-8.44 |
-0.28 |
0 |
|
|
308416 |
125327244 |
1 |
O3N4C14H22 |
A3B4C14D22 |
-104.12 |
7.21 |
-8.78 |
-0.83 |
0 |
|
|
308417 |
125327252 |
1 |
O3N4C16H16 |
A3B4C16D16 |
-18.54 |
5.74 |
-9.39 |
-1.16 |
0 |