List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
439443 |
135229217 |
1 |
SN6O14C47H66 |
AB6C14D47E66 |
-578.8 |
8.02 |
-9.12 |
-1.4 |
0 |
|
|
439444 |
135229218 |
1 |
SN7O16C51H69 |
AB7C16D51E69 |
-620.92 |
6.79 |
-8.88 |
-1.37 |
0 |
|
|
439445 |
135229219 |
2 |
N2H15C16 |
A2B15C16 |
226.99 |
2.63 |
-8.9 |
-0.61 |
0 |
|
|
439446 |
135229220 |
4 |
O3H15C20 |
A3B15C20 |
-64.29 |
3.76 |
-8.7 |
-0.69 |
0 |
|
|
439447 |
135229221 |
1 |
N5O7C39H67 |
A5B7C39D67 |
-361.0 |
5.37 |
-9.04 |
0.24 |
0 |
|
|
439448 |
135229222 |
1 |
F3N3H8C9 |
A3B3C8D9 |
-90.68 |
6.8 |
-10.56 |
-1.58 |
0 |
|
|
439449 |
135229223 |
1 |
O3H40C45 |
A3B40C45 |
80.32 |
3.07 |
-8.5 |
0.06 |
0 |
|
|
439451 |
135229225 |
1 |
N2O2H12C13 |
A2B2C12D13 |
62.03 |
2.59 |
-7.32 |
-1.12 |
0 |
|
|
439452 |
135229226 |
2 |
INO2H11C13 |
ABC2D11E13 |
-33.96 |
3.55 |
-8.7 |
-1.45 |
0 |
|
|
439453 |
135229227 |
1 |
N5O7C38H65 |
A5B7C38D65 |
-360.73 |
6.65 |
-9.05 |
0.3 |
0 |
|
|
439454 |
135229228 |
2 |
O6H28C37 |
A6B28C37 |
-86.91 |
2.87 |
-8.75 |
-0.74 |
0 |
|
|
439455 |
135229229 |
1 |
NO3C10H17 |
AB3C10D17 |
-128.51 |
4.36 |
-9.43 |
0.06 |
0 |
|
|
439456 |
135229230 |
1 |
ClN6H37C49 |
AB6C37D49 |
253.3 |
2.6 |
-8.53 |
-0.99 |
0 |
|
|
439457 |
135229231 |
1 |
SN5O5C18H31 |
AB5C5D18E31 |
-107.83 |
5.91 |
-8.61 |
-0.44 |
0 |
|
|
439458 |
135229232 |
1 |
ClN5O7C39H44 |
AB5C7D39E44 |
-246.03 |
3.25 |
-8.62 |
-0.91 |
0 |
|
|
439459 |
135229233 |
1 |
SO2F3N5C17H18 |
AB2C3D5E17F18 |
-145.08 |
7.9 |
-9.41 |
-1.19 |
0 |
|
|
439461 |
135229235 |
1 |
OH22C24 |
AB22C24 |
50.24 |
1.63 |
-8.7 |
-0.06 |
0 |
|
|
439462 |
135229236 |
1 |
O6N8C23H24 |
A6B8C23D24 |
-124.68 |
4.64 |
-8.94 |
-1.38 |
0 |
|
|
439463 |
135229237 |
1 |
SC27H46 |
AB27C46 |
-59.71 |
2.2 |
-8.3 |
0.16 |
0 |
|
|
439464 |
135229238 |
1 |
SF3N5C20H24 |
AB3C5D20E24 |
-100.27 |
10.95 |
-8.68 |
-0.91 |
0 |
|
|
439465 |
135229239 |
10 |
OH6C7 |
AB6C7 |
-155.92 |
3.01 |
-8.76 |
-0.49 |
0 |
|
|
439466 |
135229240 |
1 |
SO2F3N5C16H18 |
AB2C3D5E16F18 |
-156.78 |
8.46 |
-9.02 |
-1.26 |
0 |
|
|
439467 |
135229241 |
1 |
SF3N5C16H18 |
AB3C5D16E18 |
-69.39 |
9.13 |
-8.48 |
-1.14 |
0 |
|
|
439468 |
135229242 |
1 |
N4O6C35H58 |
A4B6C35D58 |
-299.97 |
1.98 |
-8.93 |
0.3 |
0 |
|
|
439469 |
135229243 |
2 |
N2O3C17H29 |
A2B3C17D29 |
-318.53 |
7.54 |
-8.98 |
0.15 |
0 |
|
|
439470 |
135229244 |
4 |
O2H19C20 |
A2B19C20 |
51.21 |
2.45 |
-8.12 |
0.01 |
0 |
|
|
439471 |
135229245 |
1 |
O14C27H32 |
A14B27C32 |
-572.78 |
4.3 |
-9.37 |
-0.6 |
0 |
|
|
439472 |
135229246 |
1 |
F3N3C8H8 |
A3B3C8D8 |
-111.71 |
6.35 |
-9.2 |
-1.02 |
0 |
|
|
439473 |
135229247 |
1 |
SF3O3N5C17H18 |
AB3C3D5E17F18 |
-184.59 |
7.3 |
-9.37 |
-1.16 |
0 |
|
|
439474 |
135229248 |
1 |
SO2F3N5C17H18 |
AB2C3D5E17F18 |
-143.43 |
10.12 |
-9.51 |
-1.2 |
0 |
|
|
439475 |
135229249 |
1 |
SF3N5C17H18 |
AB3C5D17E18 |
-61.67 |
10.77 |
-8.64 |
-0.95 |
0 |
|
|
439476 |
135229250 |
1 |
SO2F3N5C19H22 |
AB2C3D5E19F22 |
-152.27 |
9.97 |
-9.48 |
-1.25 |
0 |
|
|
439477 |
135229251 |
1 |
S2F3O3N5C17H18 |
A2B3C3D5E17F18 |
-164.99 |
9.79 |
-9.3 |
-1.26 |
0 |
|
|
439478 |
135229252 |
1 |
SO2F3N5C18H20 |
AB2C3D5E18F20 |
-149.24 |
8.66 |
-9.51 |
-1.34 |
0 |
|
|
439479 |
135229253 |
2 |
O3H36C40 |
A3B36C40 |
159.69 |
3.44 |
-8.46 |
0.11 |
0 |
|
|
439480 |
135229254 |
1 |
O6H34C45 |
A6B34C45 |
-29.57 |
2.82 |
-8.8 |
-0.74 |
0 |
|
|
439481 |
135229255 |
2 |
OH14C16 |
AB14C16 |
55.56 |
1.64 |
-8.63 |
-0.19 |
0 |
|
|
439482 |
135229256 |
1 |
N2O5C27H44 |
A2B5C27D44 |
-233.36 |
3.17 |
-9.18 |
-0.94 |
0 |
|
|
439483 |
135229257 |
1 |
N6H28C43 |
A6B28C43 |
260.06 |
4.1 |
-8.82 |
-1.0 |
0 |
|
|
439484 |
135229258 |
2 |
N2H19C22 |
A2B19C22 |
187.65 |
0.34 |
-8.48 |
-0.83 |
0 |
|
|
439485 |
135229259 |
2 |
N2O2H19C28 |
A2B2C19D28 |
194.23 |
6.93 |
-8.75 |
-1.2 |
0 |
|
|
439486 |
135229260 |
2 |
NOH13C14 |
ABC13D14 |
8.02 |
7.68 |
-8.16 |
-0.49 |
0 |
|
|
439487 |
135229261 |
1 |
N7H31C50 |
A7B31C50 |
303.0 |
5.94 |
-8.72 |
-1.26 |
0 |
|
|
439488 |
135229262 |
2 |
NH8C9 |
AB8C9 |
79.98 |
5.17 |
-9.41 |
-1.03 |
0 |
|
|
439489 |
135229263 |
1 |
N2O10C91H178 |
A2B10C91D178 |
-820.18 |
10.35 |
-8.71 |
0.72 |
0 |
|
|
439490 |
135229264 |
1 |
N3O3C51H53 |
A3B3C51D53 |
12.71 |
2.32 |
-7.73 |
0.03 |
0 |
|
|
439491 |
135229265 |
1 |
Cl2N2O2F6H18C29 |
A2B2C2D6E18F29 |
-247.68 |
6.64 |
-9.76 |
-1.37 |
0 |
|
|
439492 |
135229266 |
1 |
N4H26C33 |
A4B26C33 |
233.72 |
3.38 |
-8.46 |
-0.96 |
0 |
|
|
439493 |
135229267 |
2 |
N2O4C42H81 |
A2B4C42D81 |
-655.46 |
2.64 |
-8.5 |
0.89 |
0 |
|
|
439494 |
135229268 |
1 |
OPN3C16H34 |
ABC3D16E34 |
-109.18 |
4.1 |
-8.22 |
1.2 |
0 |
|
|
439495 |
135229269 |
1 |
PN3C16H34 |
AB3C16D34 |
-46.08 |
3.62 |
-7.64 |
1.39 |
0 |
|
|
439496 |
135229270 |
2 |
N2O5C62H120 |
A2B5C62D120 |
-953.44 |
5.67 |
-8.56 |
0.84 |
0 |
|
|
439497 |
135229271 |
1 |
SC45H76 |
AB45C76 |
-100.2 |
1.5 |
-6.63 |
1.19 |
0 |
|
|
439498 |
135229272 |
2 |
N2C3H7 |
A2B3C7 |
24.27 |
2.03 |
-9.03 |
1.88 |
0 |
|
|
439499 |
135229273 |
1 |
N2S3C35H64 |
A2B3C35D64 |
0.84 |
2.96 |
-7.0 |
0.56 |
0 |
|
|
439500 |
135229274 |
1 |
SN2F6O6C64H68 |
AB2C6D6E64F68 |
-422.85 |
9.24 |
-9.35 |
-1.0 |
0 |
|
|
439501 |
135229275 |
1 |
O3H22C25 |
A3B22C25 |
-25.86 |
2.23 |
-8.6 |
-0.82 |
0 |
|
|
439502 |
135229276 |
2 |
N2H11C17 |
A2B11C17 |
210.75 |
0.99 |
-8.71 |
-0.91 |
0 |
|
|
439503 |
135229277 |
1 |
SC37H54 |
AB37C54 |
36.46 |
1.55 |
-7.22 |
0.6 |
0 |
|
|
439504 |
135229278 |
1 |
ON4C19H40 |
AB4C19D40 |
-76.06 |
2.7 |
-8.17 |
2.44 |
0 |
|
|
439505 |
135229279 |
4 |
NC6H11 |
AB6C11 |
18.04 |
1.03 |
-8.05 |
1.54 |
0 |
|
|
439506 |
135229280 |
2 |
NO2C6H12 |
AB2C6D12 |
-203.91 |
7.92 |
-9.48 |
0.38 |
0 |
|
|
439507 |
135229281 |
1 |
N6H26C37 |
A6B26C37 |
252.85 |
5.74 |
-9.08 |
-1.65 |
0 |
|
|
439508 |
135229282 |
2 |
NC26H50 |
AB26C50 |
-135.27 |
1.99 |
-8.45 |
1.25 |
0 |
|
|
439509 |
135229283 |
1 |
O2N3C22H31 |
A2B3C22D31 |
-19.97 |
2.95 |
-8.2 |
-0.45 |
0 |
|
|
439510 |
135229284 |
1 |
F2N3O4H25C26 |
A2B3C4D25E26 |
-169.48 |
4.92 |
-8.93 |
-1.65 |
0 |
|
|
439511 |
135229285 |
1 |
O3N4C53H62 |
A3B4C53D62 |
-48.17 |
3.48 |
-7.8 |
-0.91 |
0 |
|
|
439512 |
135229287 |
1 |
NO12C51H83 |
AB12C51D83 |
-580.81 |
10.07 |
-8.81 |
-0.09 |
0 |
|
|
439513 |
135229288 |
1 |
ON4H48C50 |
AB4C48D50 |
119.27 |
1.05 |
-7.73 |
-0.76 |
0 |
|
|
439514 |
135229289 |
1 |
N6O15C174H338 |
A6B15C174D338 |
-1383.04 |
3.12 |
-8.66 |
0.78 |
0 |
|
|
439515 |
135229290 |
1 |
N4O10C123H238 |
A4B10C123D238 |
-945.07 |
10.21 |
-8.77 |
0.89 |
0 |
|
|
439516 |
135229291 |
1 |
NO13C50H81 |
AB13C50D81 |
-633.23 |
8.31 |
-8.77 |
-0.49 |
0 |
|
|
439517 |
135229292 |
1 |
SN2O3C22H46 |
AB2C3D22E46 |
-221.15 |
3.7 |
-8.76 |
0.71 |
0 |
|
|
439518 |
135229293 |
2 |
N2O5C57H112 |
A2B5C57D112 |
-915.02 |
10.53 |
-8.86 |
0.88 |
0 |
|
|
439519 |
135229294 |
2 |
NO5C51H100 |
AB5C51D100 |
-868.38 |
5.38 |
-8.66 |
0.75 |
0 |
|
|
439520 |
135229295 |
1 |
O3N7C22H29 |
A3B7C22D29 |
38.17 |
3.46 |
-7.81 |
-0.4 |
0 |
|
|
439521 |
135229296 |
1 |
S2O3C10H16 |
A2B3C10D16 |
-126.85 |
4.11 |
-9.0 |
-1.25 |
0 |
|
|
439522 |
135229298 |
1 |
ClFO5N16C38H42 |
ABC5D16E38F42 |
35.95 |
7.85 |
-7.87 |
-0.96 |
0 |
|
|
439523 |
135229299 |
1 |
O3N7C23H25 |
A3B7C23D25 |
9.84 |
5.33 |
-7.91 |
-0.63 |
0 |
|
|
439524 |
135229300 |
1 |
F3N3O3C27H32 |
A3B3C3D27E32 |
-251.62 |
2.91 |
-8.85 |
-0.66 |
0 |
|
|
439525 |
135229301 |
1 |
O2N3C29H39 |
A2B3C29D39 |
-69.22 |
3.8 |
-8.12 |
-0.13 |
0 |
|
|
439526 |
135229302 |
1 |
SN3O8C28H49 |
AB3C8D28E49 |
-407.85 |
4.53 |
-9.37 |
-0.34 |
0 |
|
|
439527 |
135229303 |
1 |
NOC12H21 |
ABC12D21 |
-57.4 |
4.47 |
-9.24 |
0.45 |
0 |
|
|
439528 |
135229304 |
1 |
NOC11H17 |
ABC11D17 |
-22.56 |
4.63 |
-9.31 |
0.38 |
0 |
|
|
439529 |
135229305 |
1 |
NOS2C4H7 |
ABC2D4E7 |
-20.62 |
1.54 |
-9.31 |
-1.4 |
0 |
|
|
439530 |
135229306 |
1 |
F2O4N18C39H46 |
A2B4C18D39E46 |
53.89 |
6.68 |
-8.1 |
-0.72 |
0 |
|
|
439531 |
135229307 |
4 |
NC6H11 |
AB6C11 |
17.62 |
1.09 |
-7.92 |
1.49 |
0 |
|
|
439532 |
135229308 |
1 |
FO2N10C22H29 |
AB2C10D22E29 |
13.07 |
3.33 |
-8.33 |
-0.56 |
0 |
|
|
439533 |
135229309 |
1 |
FON8C18H23 |
ABC8D18E23 |
30.31 |
4.07 |
-8.03 |
-0.25 |
0 |
|
|
439534 |
135229310 |
1 |
O3N7C22H27 |
A3B7C22D27 |
6.68 |
1.63 |
-7.97 |
-0.12 |
0 |
|
|
439535 |
135229311 |
1 |
O3N7C22H31 |
A3B7C22D31 |
-22.43 |
4.59 |
-8.41 |
-0.54 |
0 |
|
|
439536 |
135229312 |
1 |
FOC16H25 |
ABC16D25 |
-109.9 |
1.65 |
-8.74 |
0.3 |
0 |
|
|
439537 |
135229313 |
1 |
FO2N9C22H26 |
AB2C9D22E26 |
36.75 |
0.88 |
-8.21 |
-0.47 |
0 |
|
|
439538 |
135229314 |
1 |
FO2N10C21H29 |
AB2C10D21E29 |
18.1 |
3.95 |
-8.28 |
-0.52 |
0 |
|
|
439539 |
135229315 |
1 |
FO2N10C23H31 |
AB2C10D23E31 |
12.04 |
4.32 |
-8.33 |
-0.53 |
0 |
|
|
439540 |
135229316 |
1 |
O3N7C20H23 |
A3B7C20D23 |
14.19 |
4.72 |
-7.56 |
-0.36 |
0 |
|
|
439541 |
135229317 |
1 |
O7N14C42H52 |
A7B14C42D52 |
-55.54 |
4.29 |
-8.16 |
-0.47 |
0 |
|
|
439542 |
135229318 |
2 |
SO2C5H9 |
AB2C5D9 |
-203.62 |
7.56 |
-8.84 |
-1.04 |
0 |
|
|
439543 |
135229319 |
1 |
O4N7C21H25 |
A4B7C21D25 |
-15.73 |
3.45 |
-8.18 |
-0.4 |
0 |
|
|
439544 |
135229320 |
1 |
O3N8C21H26 |
A3B8C21D26 |
22.01 |
3.75 |
-8.17 |
-0.4 |
0 |