List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
369392 |
127333014 |
1 |
ClO2N4C17H19 |
AB2C4D17E19 |
-29.28 |
4.01 |
-9.52 |
-1.08 |
0 |
|
|
369393 |
127333015 |
1 |
F2N2O3C18H20 |
A2B2C3D18E20 |
-127.47 |
8.46 |
-9.29 |
-0.42 |
0 |
|
|
369394 |
127333016 |
1 |
O2F4N4H16C17 |
A2B4C4D16E17 |
-121.06 |
5.44 |
-9.87 |
-1.48 |
0 |
|
|
369395 |
127333021 |
1 |
ClN2O4C20H25 |
AB2C4D20E25 |
-166.37 |
7.24 |
-9.07 |
-0.41 |
0 |
|
|
369396 |
127333022 |
1 |
ClO2N3C21H26 |
AB2C3D21E26 |
-72.86 |
4.94 |
-9.01 |
-0.61 |
0 |
|
|
369397 |
127333023 |
1 |
N2O3C16H26 |
A2B3C16D26 |
-161.04 |
2.14 |
-9.39 |
0.59 |
0 |
|
|
369398 |
127333024 |
1 |
N3O4C18H27 |
A3B4C18D27 |
-201.95 |
7.13 |
-9.61 |
-0.24 |
0 |
|
|
369399 |
127333119 |
1 |
N2O3C21H30 |
A2B3C21D30 |
-127.04 |
4.14 |
-9.05 |
-0.41 |
0 |
|
|
369400 |
127333120 |
1 |
SN2O2C19H22 |
AB2C2D19E22 |
35.65 |
5.68 |
-9.37 |
-0.64 |
0 |
|
|
369401 |
127333121 |
1 |
O2N5C18H19 |
A2B5C18D19 |
95.6 |
5.89 |
-9.54 |
-1.08 |
0 |
|
|
369402 |
127333136 |
1 |
N3O4C21H25 |
A3B4C21D25 |
-131.64 |
4.6 |
-9.55 |
-0.79 |
0 |
|
|
369403 |
127333137 |
1 |
SN2O2C20H24 |
AB2C2D20E24 |
-67.63 |
4.51 |
-9.08 |
-1.04 |
0 |
|
|
369404 |
127333288 |
1 |
O3N6C18H26 |
A3B6C18D26 |
-107.08 |
2.37 |
-8.38 |
-0.3 |
0 |
|
|
369405 |
127333310 |
1 |
N3O4C14H23 |
A3B4C14D23 |
-194.82 |
3.85 |
-9.53 |
0.07 |
0 |
|
|
369406 |
127333311 |
1 |
O4N5C19H31 |
A4B5C19D31 |
-213.7 |
4.68 |
-9.55 |
-0.2 |
0 |
|
|
369407 |
127333312 |
1 |
O2N4C21H38 |
A2B4C21D38 |
-133.49 |
4.5 |
-8.9 |
1.16 |
0 |
|
|
369408 |
127333313 |
1 |
O4N5C19H25 |
A4B5C19D25 |
-164.57 |
4.11 |
-8.86 |
-0.26 |
0 |
|
|
369409 |
127333314 |
2 |
N2O2C9H12 |
A2B2C9D12 |
-155.82 |
0.8 |
-8.84 |
-0.37 |
0 |
|
|
369410 |
127333315 |
1 |
SO3N5C17H25 |
AB3C5D17E25 |
-112.19 |
2.16 |
-8.93 |
-0.46 |
0 |
|
|
369411 |
127333324 |
1 |
N4O4C17H28 |
A4B4C17D28 |
-214.36 |
4.54 |
-9.45 |
-0.37 |
0 |
|
|
369412 |
127333325 |
1 |
O3N4C18H30 |
A3B4C18D30 |
-157.35 |
2.83 |
-8.79 |
-0.21 |
0 |
|
|
369413 |
127333348 |
2 |
N2O2C7H12 |
A2B2C7D12 |
-179.37 |
2.26 |
-8.93 |
-0.04 |
0 |
|
|
369414 |
127333349 |
1 |
N2O3H22C23 |
A2B3C22D23 |
-51.06 |
2.71 |
-8.67 |
-0.76 |
0 |
|
|
369415 |
127333350 |
1 |
O3N4C14H24 |
A3B4C14D24 |
-143.98 |
3.59 |
-8.98 |
-0.08 |
0 |
|
|
369416 |
127333351 |
1 |
N5O5C16H25 |
A5B5C16D25 |
-235.23 |
1.21 |
-9.37 |
-0.4 |
0 |
|
|
369417 |
127333354 |
1 |
O2N3C14H25 |
A2B3C14D25 |
-106.39 |
4.8 |
-9.18 |
0.9 |
0 |
|
|
369418 |
127333355 |
1 |
SO2N4C17H24 |
AB2C4D17E24 |
-40.21 |
3.51 |
-8.56 |
-0.57 |
0 |
|
|
369419 |
127333356 |
1 |
ON3C14H21 |
AB3C14D21 |
-29.67 |
4.97 |
-8.59 |
0.3 |
0 |
|
|
369420 |
127333357 |
1 |
ON3C15H23 |
AB3C15D23 |
-38.0 |
5.21 |
-8.51 |
0.38 |
0 |
|
|
369421 |
127333358 |
1 |
ON3C15H23 |
AB3C15D23 |
-40.43 |
4.38 |
-8.35 |
0.4 |
0 |
|
|
369422 |
127333359 |
2 |
NOC7H10 |
ABC7D10 |
-91.53 |
4.95 |
-8.69 |
0.41 |
0 |
|
|
369423 |
127333360 |
1 |
O2N3C16H21 |
A2B3C16D21 |
-64.06 |
2.87 |
-8.74 |
0.06 |
0 |
|
|
369424 |
127333361 |
1 |
ON3C15H21 |
AB3C15D21 |
-18.58 |
4.89 |
-8.49 |
0.28 |
0 |
|
|
369425 |
127333362 |
1 |
ON3C15H23 |
AB3C15D23 |
-43.59 |
4.04 |
-8.57 |
0.45 |
0 |
|
|
369426 |
127333364 |
1 |
OSN5C13H23 |
ABC5D13E23 |
-15.22 |
7.02 |
-8.99 |
-0.3 |
0 |
|
|
369427 |
127333365 |
1 |
FON3C14H20 |
ABC3D14E20 |
-77.59 |
2.67 |
-8.75 |
0.05 |
0 |
|
|
369428 |
127333366 |
1 |
ClON3C14H20 |
ABC3D14E20 |
-39.49 |
6.92 |
-8.78 |
-0.03 |
0 |
|
|
369429 |
127333367 |
2 |
NOC7H9 |
ABC7D9 |
-79.29 |
2.92 |
-8.41 |
0.36 |
0 |
|
|
369430 |
127333368 |
2 |
ON2C11H17 |
AB2C11D17 |
-94.81 |
1.42 |
-8.56 |
0.21 |
0 |
|
|
369431 |
127333369 |
1 |
N3O4C19H25 |
A3B4C19D25 |
-158.17 |
3.07 |
-8.44 |
-0.17 |
0 |
|
|
369432 |
127333376 |
1 |
N3O3C21H31 |
A3B3C21D31 |
-123.24 |
1.4 |
-8.2 |
0.16 |
0 |
|
|
369433 |
127333377 |
1 |
SN3O4C14H19 |
AB3C4D14E19 |
-144.81 |
8.21 |
-8.47 |
0.01 |
0 |
|
|
369434 |
127333378 |
2 |
ON2C10H15 |
AB2C10D15 |
-77.62 |
3.64 |
-8.69 |
-0.1 |
0 |
|
|
369435 |
127333379 |
1 |
N3O4C16H19 |
A3B4C16D19 |
-161.13 |
2.55 |
-8.83 |
-0.1 |
0 |
|
|
369436 |
127333380 |
1 |
O3N4C19H26 |
A3B4C19D26 |
-115.0 |
6.47 |
-8.65 |
0.04 |
0 |
|
|
369437 |
127333381 |
1 |
O3N4C20H28 |
A3B4C20D28 |
-122.44 |
5.39 |
-8.49 |
-0.01 |
0 |
|
|
369438 |
127333382 |
1 |
O2N4C23H32 |
A2B4C23D32 |
-43.58 |
2.67 |
-8.6 |
-0.55 |
0 |
|
|
369439 |
127333383 |
1 |
O2N4C19H26 |
A2B4C19D26 |
-26.04 |
5.73 |
-8.55 |
-0.53 |
0 |
|
|
369440 |
127333386 |
1 |
N3O4C17H23 |
A3B4C17D23 |
-159.42 |
3.0 |
-8.86 |
-0.13 |
0 |
|
|
369441 |
127333387 |
1 |
N3O4C21H31 |
A3B4C21D31 |
-180.54 |
5.41 |
-8.51 |
0.03 |
0 |
|
|
369442 |
127333388 |
1 |
N3O3C22H35 |
A3B3C22D35 |
-149.64 |
2.74 |
-8.63 |
0.16 |
0 |
|
|
369443 |
127333389 |
1 |
FON5C20H28 |
ABC5D20E28 |
-43.89 |
6.75 |
-8.74 |
-0.39 |
0 |
|
|
369444 |
127333406 |
1 |
FN3O3C19H28 |
AB3C3D19E28 |
-187.36 |
1.44 |
-8.74 |
-0.06 |
0 |
|
|
369445 |
127333407 |
1 |
ClSO2N4C18H25 |
ABC2D4E18F25 |
-77.68 |
2.51 |
-8.85 |
-0.45 |
0 |
|
|
369446 |
127333408 |
1 |
O2F3N4C17H21 |
A2B3C4D17E21 |
-190.26 |
8.59 |
-8.68 |
-1.23 |
0 |
|
|
369447 |
127333409 |
1 |
N3O3C19H29 |
A3B3C19D29 |
-122.58 |
5.28 |
-7.78 |
0.57 |
0 |
|
|
369448 |
127333410 |
1 |
N2O3C14H18 |
A2B3C14D18 |
-114.64 |
6.92 |
-8.12 |
0.23 |
0 |
|
|
369449 |
127333411 |
1 |
N2O3C18H26 |
A2B3C18D26 |
-141.7 |
3.03 |
-8.09 |
0.3 |
0 |
|
|
369450 |
127333428 |
1 |
O2S2N3C14H19 |
A2B2C3D14E19 |
-55.58 |
2.88 |
-8.75 |
-0.91 |
0 |
|
|
369451 |
127333429 |
1 |
OSN5C20H33 |
ABC5D20E33 |
-20.55 |
4.34 |
-8.57 |
-0.33 |
0 |
|
|
369452 |
127333430 |
2 |
ON2C9H11 |
AB2C9D11 |
-4.1 |
9.44 |
-8.97 |
-0.91 |
0 |
|
|
369453 |
127333431 |
1 |
SO2N4C15H22 |
AB2C4D15E22 |
-38.48 |
9.56 |
-9.0 |
-0.57 |
0 |
|
|
369454 |
127333432 |
1 |
SO3N5C18H33 |
AB3C5D18E33 |
-95.46 |
4.37 |
-8.75 |
-0.18 |
0 |
|
|
369455 |
127333433 |
1 |
SO3N5C17H33 |
AB3C5D17E33 |
-144.48 |
4.52 |
-8.75 |
-0.15 |
0 |
|
|
369456 |
127333438 |
1 |
ON5C23H33 |
AB5C23D33 |
-2.34 |
3.4 |
-8.41 |
-0.15 |
0 |
|
|
369457 |
127333439 |
1 |
FOSN5C19H24 |
ABCD5E19F24 |
-13.52 |
7.96 |
-8.84 |
-1.12 |
0 |
|
|
369458 |
127333440 |
1 |
SO2N4C17H24 |
AB2C4D17E24 |
-38.66 |
6.16 |
-8.52 |
-0.72 |
0 |
|
|
369459 |
127333441 |
1 |
N3O3C20H29 |
A3B3C20D29 |
-109.43 |
1.68 |
-8.24 |
0.11 |
0 |
|
|
369460 |
127333442 |
1 |
SN3O3C17H31 |
AB3C3D17E31 |
-141.49 |
9.36 |
-8.61 |
0.66 |
0 |
|
|
369461 |
127333445 |
1 |
ON5C18H31 |
AB5C18D31 |
-26.16 |
6.14 |
-8.84 |
0.49 |
0 |
|
|
369462 |
127333446 |
1 |
ON5C16H25 |
AB5C16D25 |
-9.0 |
1.58 |
-8.84 |
-0.49 |
0 |
|
|
369463 |
127333447 |
2 |
ON2C8H13 |
AB2C8D13 |
-37.09 |
6.81 |
-8.98 |
-0.07 |
0 |
|
|
369464 |
127333448 |
1 |
ON5C22H31 |
AB5C22D31 |
3.07 |
5.91 |
-8.62 |
-0.17 |
0 |
|
|
369465 |
127333449 |
1 |
OSN4C21H30 |
ABC4D21E30 |
-23.09 |
5.27 |
-8.57 |
-0.5 |
0 |
|
|
369466 |
127333450 |
2 |
ON2C10H15 |
AB2C10D15 |
-73.81 |
6.12 |
-8.91 |
-0.12 |
0 |
|
|
369467 |
127333880 |
1 |
SO2N3C20H27 |
AB2C3D20E27 |
-54.42 |
4.98 |
-8.68 |
-0.51 |
0 |
|
|
369468 |
127333881 |
1 |
NSO3C15H19 |
ABC3D15E19 |
-95.79 |
7.57 |
-8.53 |
-0.34 |
0 |
|
|
369469 |
127333882 |
1 |
SN2O3C16H24 |
AB2C3D16E24 |
-104.07 |
7.56 |
-8.49 |
0.1 |
0 |
|
|
369470 |
127333960 |
1 |
SN3O3C15H23 |
AB3C3D15E23 |
-116.41 |
9.35 |
-9.06 |
0.44 |
0 |
|
|
369471 |
127333961 |
2 |
ON2C10H12 |
AB2C10D12 |
-42.27 |
4.81 |
-8.8 |
-0.25 |
0 |
|
|
369472 |
127333962 |
1 |
OSN5C15H21 |
ABC5D15E21 |
7.9 |
2.75 |
-8.55 |
-0.24 |
0 |
|
|
369473 |
127334134 |
1 |
ON6C21H30 |
AB6C21D30 |
28.54 |
6.7 |
-8.68 |
-0.24 |
0 |
|
|
369474 |
127334135 |
1 |
O2N5C16H23 |
A2B5C16D23 |
-43.52 |
11.56 |
-8.95 |
-0.5 |
0 |
|
|
369475 |
127334136 |
1 |
ON5C22H29 |
AB5C22D29 |
27.34 |
2.68 |
-8.72 |
-0.32 |
0 |
|
|
369476 |
127334137 |
1 |
O2N5C22H33 |
A2B5C22D33 |
-64.17 |
10.61 |
-8.91 |
-0.52 |
0 |
|
|
369477 |
127334145 |
1 |
SN4O4C16H24 |
AB4C4D16E24 |
-145.44 |
7.5 |
-9.8 |
-1.12 |
0 |
|
|
369478 |
127334146 |
1 |
SN2O4C16H28 |
AB2C4D16E28 |
-183.42 |
6.19 |
-9.79 |
0.2 |
0 |
|
|
369479 |
127334149 |
1 |
SN3O4C17H25 |
AB3C4D17E25 |
-159.45 |
6.36 |
-9.85 |
-0.65 |
0 |
|
|
369480 |
127334151 |
1 |
SN2O5C17H30 |
AB2C5D17E30 |
-244.16 |
5.86 |
-9.76 |
0.21 |
0 |
|
|
369481 |
127334155 |
1 |
S2N3O4C14H21 |
A2B3C4D14E21 |
-139.02 |
2.32 |
-9.74 |
-1.08 |
0 |
|
|
369482 |
127334196 |
1 |
SO2N4C13H20 |
AB2C4D13E20 |
-30.35 |
3.42 |
-9.12 |
-1.45 |
0 |
|
|
369483 |
127334197 |
1 |
N3O3C19H33 |
A3B3C19D33 |
-163.62 |
2.89 |
-8.99 |
0.56 |
0 |
|
|
369484 |
127334201 |
1 |
SN3O3C18H27 |
AB3C3D18E27 |
-114.47 |
5.56 |
-8.64 |
-1.0 |
0 |
|
|
369485 |
127334202 |
1 |
N3O3C20H27 |
A3B3C20D27 |
-90.21 |
2.99 |
-8.87 |
-0.63 |
0 |
|
|
369486 |
127334203 |
1 |
SN3O4C15H27 |
AB3C4D15E27 |
-177.13 |
5.08 |
-8.78 |
0.01 |
0 |
|
|
369487 |
127334204 |
1 |
N3O3C23H33 |
A3B3C23D33 |
-122.46 |
3.15 |
-9.03 |
0.22 |
0 |
|
|
369488 |
127334205 |
1 |
SN3O3C18H29 |
AB3C3D18E29 |
-97.28 |
4.64 |
-8.85 |
-0.04 |
0 |
|
|
369489 |
127334209 |
1 |
SN2O3C18H24 |
AB2C3D18E24 |
-103.7 |
8.07 |
-9.6 |
-0.51 |
0 |
|
|
369490 |
127334210 |
1 |
ON7C16H21 |
AB7C16D21 |
78.08 |
9.52 |
-9.4 |
-1.29 |
0 |
|
|
369491 |
127334213 |
1 |
SN2O3C18H24 |
AB2C3D18E24 |
-109.63 |
8.9 |
-9.18 |
-0.67 |
0 |