List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
368392 |
127328300 |
1 |
O2N5C18H21 |
A2B5C18D21 |
-8.08 |
7.74 |
-9.0 |
-0.09 |
0 |
|
|
368393 |
127328301 |
1 |
O2N3C22H37 |
A2B3C22D37 |
-137.66 |
1.45 |
-8.75 |
0.83 |
0 |
|
|
368394 |
127328302 |
1 |
O2N4C23H32 |
A2B4C23D32 |
-80.96 |
4.68 |
-8.52 |
-0.44 |
0 |
|
|
368395 |
127328303 |
1 |
O2N5C22H29 |
A2B5C22D29 |
-31.77 |
4.08 |
-9.07 |
-0.78 |
0 |
|
|
368396 |
127328304 |
1 |
O2N5C22H29 |
A2B5C22D29 |
-30.15 |
3.2 |
-9.12 |
-0.74 |
0 |
|
|
368397 |
127328305 |
1 |
O2N4C23H34 |
A2B4C23D34 |
-66.12 |
3.35 |
-8.42 |
-0.37 |
0 |
|
|
368398 |
127328306 |
1 |
O2N5C22H29 |
A2B5C22D29 |
-30.56 |
9.23 |
-9.05 |
0.11 |
0 |
|
|
368399 |
127328307 |
1 |
O3N6C20H26 |
A3B6C20D26 |
-46.63 |
4.54 |
-8.81 |
-0.44 |
0 |
|
|
368400 |
127328308 |
1 |
SO2N4C20H26 |
AB2C4D20E26 |
-9.92 |
2.64 |
-8.79 |
-0.48 |
0 |
|
|
368401 |
127328326 |
1 |
O2N4C19H22 |
A2B4C19D22 |
-25.75 |
4.32 |
-9.42 |
-0.03 |
0 |
|
|
368402 |
127328327 |
1 |
O3N4C19H32 |
A3B4C19D32 |
-152.97 |
4.6 |
-8.63 |
0.5 |
0 |
|
|
368403 |
127328328 |
1 |
SO2N3C20H29 |
AB2C3D20E29 |
-83.15 |
3.13 |
-8.67 |
-0.15 |
0 |
|
|
368404 |
127328329 |
1 |
O2N5C21H33 |
A2B5C21D33 |
-82.1 |
3.88 |
-8.21 |
0.11 |
0 |
|
|
368405 |
127328330 |
2 |
ON2C11H17 |
AB2C11D17 |
-78.2 |
3.14 |
-8.44 |
-0.1 |
0 |
|
|
368406 |
127328331 |
2 |
ON2C11H17 |
AB2C11D17 |
-78.07 |
7.59 |
-8.24 |
0.05 |
0 |
|
|
368407 |
127328332 |
1 |
O2N4C21H32 |
A2B4C21D32 |
-73.08 |
3.73 |
-8.46 |
-0.03 |
0 |
|
|
368408 |
127328333 |
1 |
O2N4C17H32 |
A2B4C17D32 |
-119.3 |
3.47 |
-8.05 |
0.7 |
0 |
|
|
368409 |
127328334 |
1 |
ON3C18H25 |
AB3C18D25 |
-21.08 |
4.63 |
-8.27 |
-0.13 |
0 |
|
|
368410 |
127328335 |
1 |
OSN4C20H26 |
ABC4D20E26 |
4.13 |
2.56 |
-8.88 |
-0.33 |
0 |
|
|
368411 |
127328336 |
2 |
ON2C11H16 |
AB2C11D16 |
-88.76 |
4.14 |
-9.44 |
0.55 |
0 |
|
|
368412 |
127328337 |
1 |
NSO4C21H29 |
ABC4D21E29 |
-159.34 |
6.51 |
-9.24 |
-0.38 |
0 |
|
|
368413 |
127328338 |
1 |
OSN4C20H26 |
ABC4D20E26 |
-4.53 |
2.08 |
-9.1 |
-0.42 |
0 |
|
|
368414 |
127328339 |
1 |
FOSN3C18H18 |
ABCD3E18F18 |
-29.35 |
3.77 |
-8.94 |
-0.68 |
0 |
|
|
368415 |
127328340 |
1 |
ON5C14H23 |
AB5C14D23 |
-20.91 |
7.47 |
-9.4 |
0.7 |
0 |
|
|
368416 |
127328341 |
1 |
O3N5C20H25 |
A3B5C20D25 |
-102.11 |
12.52 |
-9.3 |
-1.31 |
0 |
|
|
368417 |
127328342 |
1 |
O2N5C17H27 |
A2B5C17D27 |
-80.33 |
6.93 |
-9.41 |
0.43 |
0 |
|
|
368418 |
127328343 |
1 |
SO2N5C17H27 |
AB2C5D17E27 |
-66.44 |
3.66 |
-9.17 |
-0.18 |
0 |
|
|
368419 |
127328344 |
1 |
ON4C19H28 |
AB4C19D28 |
-43.9 |
6.58 |
-9.48 |
0.61 |
0 |
|
|
368420 |
127328345 |
1 |
O2N5C19H31 |
A2B5C19D31 |
-84.79 |
5.17 |
-9.28 |
0.47 |
0 |
|
|
368421 |
127328504 |
1 |
ON7C19H23 |
AB7C19D23 |
69.16 |
7.21 |
-9.42 |
-1.02 |
0 |
|
|
368422 |
127328505 |
1 |
O3N6C19H24 |
A3B6C19D24 |
-53.52 |
5.77 |
-9.28 |
-1.06 |
0 |
|
|
368423 |
127328506 |
1 |
O2N7C19H23 |
A2B7C19D23 |
15.6 |
7.86 |
-9.26 |
-1.24 |
0 |
|
|
368424 |
127328507 |
3 |
NOC4H7 |
ABC4D7 |
-132.07 |
5.44 |
-8.81 |
0.29 |
0 |
|
|
368425 |
127328508 |
1 |
N4O4C19H34 |
A4B4C19D34 |
-179.99 |
3.48 |
-8.66 |
0.73 |
0 |
|
|
368426 |
127328509 |
2 |
N2O2C8H13 |
A2B2C8D13 |
-154.23 |
3.51 |
-8.75 |
-0.01 |
0 |
|
|
368427 |
127328524 |
2 |
NOC7H11 |
ABC7D11 |
-92.05 |
5.2 |
-9.78 |
0.69 |
0 |
|
|
368428 |
127328525 |
1 |
O2N3C16H25 |
A2B3C16D25 |
-99.03 |
6.44 |
-9.41 |
0.62 |
0 |
|
|
368429 |
127328588 |
1 |
SN4O4C15H28 |
AB4C4D15E28 |
-193.63 |
4.83 |
-9.34 |
0.37 |
0 |
|
|
368430 |
127328589 |
1 |
SN2O2C11H22 |
AB2C2D11E22 |
-105.12 |
5.16 |
-8.82 |
0.45 |
0 |
|
|
368431 |
127328590 |
1 |
SO2N6C14H20 |
AB2C6D14E20 |
18.02 |
10.22 |
-9.36 |
-0.94 |
0 |
|
|
368432 |
127328591 |
1 |
SN3O3C16H29 |
AB3C3D16E29 |
-152.49 |
5.87 |
-8.79 |
0.68 |
0 |
|
|
368433 |
127328592 |
1 |
SN3O3C14H25 |
AB3C3D14E25 |
-103.1 |
5.53 |
-9.05 |
0.52 |
0 |
|
|
368434 |
127328593 |
1 |
SN4O4C18H30 |
AB4C4D18E30 |
-207.42 |
2.39 |
-9.69 |
0.24 |
0 |
|
|
368435 |
127328594 |
1 |
NSO3C8H17 |
ABC3D8E17 |
-145.57 |
5.52 |
-9.66 |
0.43 |
0 |
|
|
368436 |
127328595 |
1 |
SN3O3C8H17 |
AB3C3D8E17 |
-143.67 |
5.91 |
-9.72 |
0.19 |
0 |
|
|
368437 |
127328596 |
1 |
SN2O5C19H20 |
AB2C5D19E20 |
-138.43 |
5.07 |
-8.65 |
-0.79 |
0 |
|
|
368438 |
127328597 |
1 |
SN3O4C17H25 |
AB3C4D17E25 |
-145.18 |
3.07 |
-8.68 |
-0.4 |
0 |
|
|
368439 |
127328664 |
1 |
N2O3C20H30 |
A2B3C20D30 |
-136.86 |
2.3 |
-8.59 |
0.25 |
0 |
|
|
368440 |
127328665 |
1 |
F2O3N4C18H26 |
A2B3C4D18E26 |
-210.55 |
4.59 |
-8.37 |
-0.18 |
0 |
|
|
368441 |
127328666 |
1 |
SN3O3C10H19 |
AB3C3D10E19 |
-129.1 |
3.55 |
-9.54 |
0.25 |
0 |
|
|
368442 |
127328696 |
1 |
N3O3C20H31 |
A3B3C20D31 |
-135.14 |
4.99 |
-8.41 |
-0.06 |
0 |
|
|
368443 |
127328697 |
1 |
SN2O2C19H28 |
AB2C2D19E28 |
-82.38 |
3.96 |
-8.37 |
0.08 |
0 |
|
|
368444 |
127328698 |
1 |
SN2O3C19H28 |
AB2C3D19E28 |
-131.28 |
4.65 |
-8.38 |
0.05 |
0 |
|
|
368445 |
127328699 |
1 |
SO2N3C21H31 |
AB2C3D21E31 |
-106.89 |
4.4 |
-8.58 |
0.08 |
0 |
|
|
368446 |
127328700 |
1 |
SO2N3C21H31 |
AB2C3D21E31 |
-96.22 |
3.75 |
-8.52 |
0.1 |
0 |
|
|
368447 |
127328701 |
1 |
SN2O3C20H30 |
AB2C3D20E30 |
-147.98 |
3.51 |
-8.46 |
-0.07 |
0 |
|
|
368448 |
127328702 |
1 |
OSN5C21H29 |
ABC5D21E29 |
-12.78 |
0.93 |
-8.44 |
-0.09 |
0 |
|
|
368449 |
127328716 |
1 |
ON5C21H33 |
AB5C21D33 |
-53.63 |
7.03 |
-9.47 |
0.62 |
0 |
|
|
368450 |
127328717 |
1 |
ON5C19H33 |
AB5C19D33 |
-56.13 |
6.47 |
-9.22 |
0.75 |
0 |
|
|
368451 |
127328727 |
1 |
ON5C23H29 |
AB5C23D29 |
14.2 |
3.19 |
-8.83 |
-0.41 |
0 |
|
|
368452 |
127328728 |
1 |
ON5C23H29 |
AB5C23D29 |
10.93 |
2.18 |
-9.05 |
-0.69 |
0 |
|
|
368453 |
127328738 |
1 |
ON5C20H35 |
AB5C20D35 |
-59.91 |
8.42 |
-9.4 |
0.69 |
0 |
|
|
368454 |
127328739 |
1 |
O3N4C20H32 |
A3B4C20D32 |
-104.0 |
4.86 |
-8.71 |
-0.09 |
0 |
|
|
368455 |
127328740 |
1 |
ON5C21H35 |
AB5C21D35 |
-56.97 |
2.37 |
-9.38 |
0.53 |
0 |
|
|
368456 |
127328741 |
1 |
ON5C19H31 |
AB5C19D31 |
-53.45 |
7.09 |
-9.46 |
0.63 |
0 |
|
|
368457 |
127328742 |
1 |
ON5C23H33 |
AB5C23D33 |
-9.25 |
2.67 |
-9.37 |
-0.01 |
0 |
|
|
368458 |
127328743 |
1 |
ON5C22H31 |
AB5C22D31 |
9.87 |
7.06 |
-9.1 |
0.4 |
0 |
|
|
368459 |
127328744 |
1 |
O3N5C20H27 |
A3B5C20D27 |
-72.47 |
3.76 |
-8.63 |
0.02 |
0 |
|
|
368460 |
127328745 |
1 |
SO3N6C17H30 |
AB3C6D17E30 |
-122.35 |
6.58 |
-9.34 |
0.23 |
0 |
|
|
368461 |
127328746 |
1 |
ON6C17H28 |
AB6C17D28 |
-7.08 |
7.07 |
-9.11 |
0.68 |
0 |
|
|
368462 |
127328747 |
1 |
O2N6C17H28 |
A2B6C17D28 |
-71.65 |
2.5 |
-9.2 |
0.55 |
0 |
|
|
368463 |
127328748 |
1 |
OF3N5C18H28 |
AB3C5D18E28 |
-211.61 |
5.82 |
-9.51 |
0.29 |
0 |
|
|
368464 |
127328749 |
1 |
OF3N5C16H24 |
AB3C5D16E24 |
-201.8 |
7.58 |
-9.43 |
0.62 |
0 |
|
|
368465 |
127328776 |
1 |
O2N5C22H33 |
A2B5C22D33 |
-68.43 |
6.49 |
-8.89 |
0.57 |
0 |
|
|
368466 |
127328940 |
1 |
OSN5C14H23 |
ABC5D14E23 |
-25.3 |
6.7 |
-8.67 |
0.34 |
0 |