List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
51619 |
12014319 |
1 |
SO3C13H20 |
AB3C13D20 |
-132.83 |
3.91 |
-10.19 |
-0.54 |
0 |
|
|
51620 |
12014321 |
1 |
SO3C12H18 |
AB3C12D18 |
-126.98 |
6.01 |
-10.24 |
-0.6 |
0 |
|
|
51621 |
12014322 |
1 |
SSiO3C37H38 |
ABC3D37E38 |
-57.35 |
6.84 |
-8.92 |
-0.52 |
0 |
|
|
51622 |
12014323 |
1 |
SO2H22C25 |
AB2C22D25 |
12.75 |
3.82 |
-8.74 |
-0.09 |
0 |
|
|
51623 |
12014324 |
1 |
SO2C22H26 |
AB2C22D26 |
-31.36 |
4.08 |
-8.64 |
0.08 |
0 |
|
|
51624 |
12014325 |
1 |
SO3C20H24 |
AB3C20D24 |
-52.8 |
5.62 |
-8.52 |
0.0 |
0 |
|
|
51626 |
12014327 |
1 |
NOC24H36 |
ABC24D36 |
-20.13 |
6.18 |
0.0 |
0.0 |
0 |
|
|
51629 |
12014331 |
1 |
NOSC22H34 |
ABCD22E34 |
-27.55 |
14.11 |
0.0 |
0.0 |
0 |
|
|
51630 |
12014333 |
1 |
BNO2C44H58 |
ABC2D44E58 |
-13.26 |
15.1 |
-7.78 |
-2.02 |
0 |
|
|
51632 |
12014335 |
1 |
NPO3H24C35 |
ABC3D24E35 |
67.13 |
6.76 |
-8.95 |
-1.43 |
0 |
|
|
51633 |
12014336 |
1 |
NOPH24C36 |
ABCD24E36 |
103.29 |
5.2 |
-8.82 |
-1.0 |
0 |
|
|
51634 |
12014337 |
1 |
PO2H27C36 |
AB2C27D36 |
33.2 |
6.63 |
-8.61 |
-0.74 |
0 |
|
|
51635 |
12014338 |
1 |
OPH25C35 |
ABC25D35 |
71.78 |
4.33 |
-8.6 |
-0.77 |
0 |
|
|
51636 |
12014339 |
1 |
FOPH24C35 |
ABCD24E35 |
25.17 |
4.69 |
-8.71 |
-0.82 |
0 |
|
|
51637 |
12014341 |
1 |
NO3H15C23 |
AB3C15D23 |
127.25 |
6.39 |
-9.54 |
-1.71 |
0 |
|
|
51638 |
12014342 |
1 |
NOH15C24 |
ABC15D24 |
165.52 |
3.97 |
-9.34 |
-1.13 |
0 |
|
|
51639 |
12014343 |
2 |
OH9C12 |
AB9C12 |
91.41 |
4.22 |
-8.58 |
-0.47 |
0 |
|
|
51640 |
12014345 |
1 |
NOH21C25 |
ABC21D25 |
131.24 |
5.04 |
-8.05 |
-0.38 |
0 |
|
|
51641 |
12014346 |
1 |
ON4H20C25 |
AB4C20D25 |
107.85 |
2.69 |
-8.28 |
-1.26 |
0 |
|
|
51642 |
12014347 |
1 |
O3N4H26C28 |
A3B4C26D28 |
5.73 |
5.61 |
-8.13 |
-0.87 |
0 |
|
|
51643 |
12014348 |
4 |
H4C7 |
A4B7 |
223.85 |
0.01 |
-8.97 |
-0.74 |
0 |
|
|
51644 |
12014349 |
4 |
OH6C8 |
AB6C8 |
73.87 |
0.24 |
-8.06 |
-0.16 |
0 |
|
|
51645 |
12014350 |
4 |
OH7C8 |
AB7C8 |
-29.99 |
0.11 |
-7.95 |
0.06 |
0 |
|
|
51646 |
12014351 |
1 |
NSO6H21C27 |
ABC6D21E27 |
-119.67 |
1.28 |
-9.54 |
-1.06 |
0 |
|
|
51647 |
12014352 |
1 |
NSBr2O6H19C27 |
ABC2D6E19F27 |
-115.06 |
3.82 |
-9.68 |
-1.31 |
0 |
|
|
51648 |
12014353 |
1 |
O3C22H22 |
A3B22C22 |
-83.62 |
7.41 |
-9.46 |
-0.83 |
0 |
|
|
51649 |
12014354 |
1 |
O3C16H18 |
A3B16C18 |
-111.21 |
8.11 |
-9.98 |
-0.83 |
0 |
|
|
51650 |
12014356 |
1 |
NOSH19C22 |
ABCD19E22 |
39.84 |
2.96 |
-8.5 |
-0.29 |
0 |
|
|
51651 |
12014357 |
1 |
NO2C19H21 |
AB2C19D21 |
-38.78 |
3.97 |
-9.31 |
0.19 |
0 |
|
|
51652 |
12014358 |
1 |
NO2C19H21 |
AB2C19D21 |
-38.79 |
3.95 |
-9.31 |
0.19 |
0 |
|
|
51653 |
12014360 |
1 |
O3C16H18 |
A3B16C18 |
-108.49 |
5.2 |
-9.79 |
-0.74 |
0 |
|
|
51654 |
12014361 |
1 |
O3C22H22 |
A3B22C22 |
-81.72 |
7.52 |
-9.56 |
-0.92 |
0 |
|
|
51655 |
12014362 |
1 |
O3C16H16 |
A3B16C16 |
-77.26 |
7.97 |
-10.0 |
-0.88 |
0 |
|
|
51656 |
12014363 |
1 |
ON2C20H24 |
AB2C20D24 |
6.41 |
4.22 |
-9.13 |
0.32 |
0 |
|
|
51657 |
12014364 |
1 |
ON2C20H24 |
AB2C20D24 |
6.41 |
4.22 |
-9.13 |
0.32 |
0 |
|
|
51658 |
12014365 |
1 |
NO2C24H27 |
AB2C24D27 |
-32.45 |
2.78 |
-9.24 |
0.27 |
0 |
|
|
51659 |
12014366 |
1 |
NO2C24H27 |
AB2C24D27 |
-25.64 |
2.61 |
-9.28 |
0.25 |
0 |
|
|
51660 |
12014367 |
1 |
NOH21C23 |
ABC21D23 |
70.76 |
3.51 |
-9.33 |
-0.05 |
0 |
|
|
51661 |
12014368 |
1 |
NOH21C23 |
ABC21D23 |
48.91 |
3.27 |
-9.2 |
0.01 |
0 |
|
|
51662 |
12014369 |
1 |
NOC31H31 |
ABC31D31 |
55.71 |
2.94 |
-9.3 |
-0.15 |
0 |
|
|
51663 |
12014371 |
1 |
NO2C32H35 |
AB2C32D35 |
-33.01 |
1.59 |
-9.13 |
0.09 |
0 |
|
|
51664 |
12014372 |
1 |
NOC25H25 |
ABC25D25 |
61.84 |
3.35 |
-9.28 |
0.19 |
0 |
|
|
51665 |
12014373 |
1 |
NO2C26H29 |
AB2C26D29 |
-23.9 |
2.94 |
-9.13 |
0.02 |
0 |
|
|
51666 |
12014374 |
1 |
NO2C32H35 |
AB2C32D35 |
-28.73 |
2.28 |
-9.02 |
0.22 |
0 |
|
|
51667 |
12014375 |
1 |
BrNOC31H32 |
ABCD31E32 |
5.63 |
2.2 |
-9.36 |
-0.61 |
0 |
|
|
51668 |
12014376 |
1 |
BrNOC25H26 |
ABCD25E26 |
6.39 |
2.99 |
-9.3 |
-0.6 |
0 |
|
|
51669 |
12014378 |
1 |
NOC31H31 |
ABC31D31 |
56.94 |
3.32 |
-9.18 |
0.14 |
0 |
|
|
51670 |
12014379 |
1 |
NOC19H27 |
ABC19D27 |
-19.55 |
3.8 |
-8.91 |
0.39 |
0 |
|
|
51671 |
12014380 |
1 |
NOC27H27 |
ABC27D27 |
23.89 |
2.75 |
-8.94 |
0.12 |
0 |
|
|
51672 |
12014381 |
1 |
NOH25C26 |
ABC25D26 |
31.11 |
3.4 |
-8.84 |
0.26 |
0 |