List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
348285 |
127273350 |
1 |
O3N4C21H24 |
A3B4C21D24 |
-54.33 |
3.3 |
-8.86 |
-0.45 |
0 |
|
|
348286 |
127273351 |
1 |
O3N6C18H26 |
A3B6C18D26 |
-115.51 |
3.62 |
-9.6 |
-0.27 |
0 |
|
|
348287 |
127273352 |
1 |
O2N5C20H25 |
A2B5C20D25 |
-38.42 |
2.91 |
-9.09 |
0.08 |
0 |
|
|
348288 |
127273353 |
1 |
SO2N6C17H20 |
AB2C6D17E20 |
-23.42 |
3.0 |
-8.92 |
-1.22 |
0 |
|
|
348289 |
127273354 |
1 |
SO3N4C20H20 |
AB3C4D20E20 |
-30.88 |
4.77 |
-8.86 |
-1.15 |
0 |
|
|
348290 |
127273355 |
1 |
O3N5C20H25 |
A3B5C20D25 |
-76.37 |
5.62 |
-8.48 |
-0.14 |
0 |
|
|
348291 |
127273356 |
1 |
O2N5C21H31 |
A2B5C21D31 |
-90.53 |
4.48 |
-9.48 |
0.54 |
0 |
|
|
348292 |
127273357 |
1 |
O2N5C17H25 |
A2B5C17D25 |
-68.95 |
4.87 |
-9.46 |
0.36 |
0 |
|
|
348293 |
127273358 |
1 |
ON7C20H25 |
AB7C20D25 |
62.84 |
2.04 |
-9.4 |
-0.93 |
0 |
|
|
348294 |
127273359 |
1 |
SO3N5C17H21 |
AB3C5D17E21 |
-40.23 |
3.68 |
-9.53 |
-1.1 |
0 |
|
|
348295 |
127273360 |
1 |
O3N5C17H19 |
A3B5C17D19 |
-64.86 |
4.01 |
-9.21 |
-0.73 |
0 |
|
|
348296 |
127273361 |
1 |
O2N5C14H21 |
A2B5C14D21 |
-64.24 |
3.85 |
-9.6 |
0.35 |
0 |
|
|
348297 |
127273362 |
1 |
OSN4C18H22 |
ABC4D18E22 |
3.19 |
4.1 |
-8.67 |
-0.28 |
0 |
|
|
348298 |
127273363 |
1 |
ON7C20H27 |
AB7C20D27 |
30.48 |
2.34 |
-9.36 |
-0.86 |
0 |
|
|
348299 |
127273364 |
2 |
ON3C9H11 |
AB3C9D11 |
-29.05 |
8.26 |
-9.52 |
-1.1 |
0 |
|
|
348300 |
127273365 |
1 |
SO3N5C18H23 |
AB3C5D18E23 |
-78.52 |
4.12 |
-8.96 |
-0.44 |
0 |
|
|
348301 |
127273366 |
1 |
ON5C20H23 |
AB5C20D23 |
25.77 |
1.23 |
-9.47 |
-1.07 |
0 |
|
|
348302 |
127273367 |
1 |
O3N6C16H18 |
A3B6C16D18 |
-47.98 |
3.99 |
-9.29 |
-1.27 |
0 |
|
|
348303 |
127273368 |
1 |
ON4C18H22 |
AB4C18D22 |
15.51 |
1.45 |
-9.55 |
0.03 |
0 |
|
|
348304 |
127273369 |
1 |
SO3N5C17H21 |
AB3C5D17E21 |
-66.06 |
8.35 |
-9.04 |
-0.36 |
0 |
|
|
348305 |
127273370 |
1 |
O2N7C16H17 |
A2B7C16D17 |
24.42 |
3.69 |
-9.49 |
-1.57 |
0 |
|
|
348306 |
127273371 |
2 |
ON3C9H10 |
AB3C9D10 |
-15.44 |
2.96 |
-9.32 |
-1.05 |
0 |
|
|
348307 |
127273372 |
1 |
O3N5C19H23 |
A3B5C19D23 |
-71.07 |
1.22 |
-8.85 |
-0.45 |
0 |
|
|
348308 |
127273373 |
1 |
SO2N5C18H19 |
AB2C5D18E19 |
-20.78 |
2.18 |
-9.03 |
-0.74 |
0 |
|
|
348309 |
127273374 |
1 |
OF3N4C20H23 |
AB3C4D20E23 |
-161.28 |
3.44 |
-9.66 |
-0.68 |
0 |
|
|
348310 |
127273375 |
1 |
ON5C19H21 |
AB5C19D21 |
29.28 |
8.27 |
-9.2 |
-1.12 |
0 |
|
|
348311 |
127273376 |
1 |
ON4C14H22 |
AB4C14D22 |
-33.56 |
1.69 |
-9.56 |
0.46 |
0 |
|
|
348312 |
127273377 |
1 |
OF3N4C18H19 |
AB3C4D18E19 |
-134.9 |
2.29 |
-9.65 |
-0.77 |
0 |
|
|
348313 |
127273378 |
1 |
OF3N4C18H19 |
AB3C4D18E19 |
-133.72 |
4.66 |
-9.44 |
-0.81 |
0 |
|
|
348314 |
127273379 |
1 |
SO2N6C16H22 |
AB2C6D16E22 |
-36.43 |
6.68 |
-9.49 |
-0.55 |
0 |
|
|
348315 |
127273380 |
1 |
O2N5C18H19 |
A2B5C18D19 |
4.04 |
3.82 |
-9.06 |
-1.17 |
0 |
|
|
348316 |
127273381 |
1 |
O2N6C17H20 |
A2B6C17D20 |
28.83 |
3.66 |
-9.75 |
-1.3 |
0 |
|
|
348317 |
127273382 |
1 |
SO2N5C16H21 |
AB2C5D16E21 |
-37.49 |
5.09 |
-9.44 |
-0.65 |
0 |
|
|
348318 |
127273383 |
1 |
OSN7C14H21 |
ABC7D14E21 |
25.35 |
8.25 |
-9.24 |
-0.69 |
0 |
|
|
348319 |
127273384 |
1 |
OSN4C16H18 |
ABC4D16E18 |
10.99 |
2.69 |
-8.84 |
-0.34 |
0 |
|
|
348320 |
127273385 |
1 |
SO3N5C17H21 |
AB3C5D17E21 |
-63.6 |
5.73 |
-9.34 |
-0.57 |
0 |
|
|
348321 |
127273386 |
1 |
ON7C16H19 |
AB7C16D19 |
51.42 |
0.84 |
-9.45 |
-1.05 |
0 |
|
|
348322 |
127273387 |
1 |
SO2N6C18H22 |
AB2C6D18E22 |
-29.38 |
2.03 |
-8.92 |
-1.18 |
0 |
|
|
348323 |
127273388 |
1 |
O3N4C19H24 |
A3B4C19D24 |
-73.21 |
3.27 |
-9.27 |
-0.47 |
0 |
|
|
348324 |
127273389 |
1 |
ClON4C20H25 |
ABC4D20E25 |
-16.03 |
1.47 |
-9.6 |
-0.27 |
0 |
|
|
348325 |
127273390 |
1 |
SO2N5C19H23 |
AB2C5D19E23 |
-29.81 |
5.78 |
-8.32 |
-0.26 |
0 |
|
|
348326 |
127273391 |
1 |
O3N5C19H23 |
A3B5C19D23 |
-75.63 |
4.26 |
-9.18 |
-0.53 |
0 |
|
|
348327 |
127273392 |
1 |
O2N5C19H23 |
A2B5C19D23 |
-26.39 |
3.97 |
-9.53 |
-0.19 |
0 |
|
|
348328 |
127273393 |
1 |
FON4C17H19 |
ABC4D17E19 |
-18.22 |
1.81 |
-9.62 |
-0.27 |
0 |
|
|
348329 |
127273394 |
1 |
O2N5C14H21 |
A2B5C14D21 |
-62.99 |
4.21 |
-9.53 |
0.49 |
0 |
|
|
348330 |
127273395 |
1 |
OSN6C15H20 |
ABC6D15E20 |
25.48 |
3.06 |
-9.05 |
-0.52 |
0 |
|
|
348331 |
127273396 |
1 |
OSN5C17H19 |
ABC5D17E19 |
22.97 |
4.97 |
-9.03 |
-1.2 |
0 |
|
|
348332 |
127273397 |
1 |
O2N5C17H25 |
A2B5C17D25 |
-48.92 |
4.65 |
-9.44 |
0.39 |
0 |
|
|
348333 |
127273398 |
1 |
O2N5C16H25 |
A2B5C16D25 |
-79.45 |
4.88 |
-9.47 |
0.38 |
0 |
|
|
348334 |
127273399 |
2 |
ON2C7H11 |
AB2C7D11 |
-71.68 |
2.86 |
-9.44 |
0.57 |
0 |