List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
22505 |
597386 |
1 |
OSiC16H20 |
ABC16D20 |
-54.45 |
1.04 |
-9.42 |
0.08 |
0 |
|
|
22506 |
597387 |
1 |
OPSSiC5H15 |
ABCDE5F15 |
-207.02 |
5.13 |
-8.63 |
-0.45 |
0 |
|
|
22507 |
597388 |
1 |
SiO2C12H20 |
AB2C12D20 |
-133.75 |
1.49 |
-8.63 |
-0.08 |
0 |
|
|
22508 |
597393 |
2 |
S2O4C10H11 |
A2B4C10D11 |
-267.49 |
4.06 |
-8.83 |
-1.64 |
0 |
|
|
22509 |
597396 |
1 |
BrNOC12H12 |
ABCD12E12 |
-20.51 |
2.31 |
-8.62 |
-0.37 |
0 |
|
|
22510 |
597397 |
1 |
HN5C8 |
AB5C8 |
164.78 |
5.21 |
-11.01 |
-2.06 |
0 |
|
|
22511 |
597398 |
1 |
O3C21H28 |
A3B21C28 |
-145.13 |
2.18 |
-9.14 |
-0.44 |
0 |
|
|
22512 |
597399 |
1 |
ClC18H19 |
AB18C19 |
73.47 |
2.41 |
-9.35 |
0.38 |
0 |
|
|
22513 |
597401 |
1 |
SO3C27H32 |
AB3C27D32 |
-89.08 |
4.81 |
-9.24 |
-0.61 |
0 |
|
|
22514 |
597402 |
2 |
O2C6H9 |
A2B6C9 |
-171.13 |
2.77 |
-10.49 |
-0.5 |
0 |
|
|
22515 |
597403 |
1 |
O2N8C31H36 |
A2B8C31D36 |
17.07 |
0.44 |
-9.12 |
0.05 |
0 |
|
|
22516 |
597404 |
4 |
H7C8 |
A7B8 |
135.42 |
0.02 |
-9.26 |
0.25 |
0 |
|
|
22517 |
597405 |
1 |
O5H14C16 |
A5B14C16 |
-154.82 |
4.36 |
-9.54 |
-0.61 |
0 |
|
|
22518 |
597407 |
1 |
NO3C8H9 |
AB3C8D9 |
-97.84 |
2.6 |
-10.4 |
-1.61 |
0 |
|
|
22519 |
597408 |
2 |
O2C5H7 |
A2B5C7 |
-162.3 |
3.55 |
-8.8 |
-0.16 |
0 |
|
|
22520 |
597410 |
1 |
SC5H5N5 |
AB5C5D5 |
115.86 |
5.38 |
-9.62 |
-1.78 |
0 |
|
|
22521 |
597411 |
2 |
C3N3O3H4 |
A3B3C3D4 |
-56.27 |
5.04 |
-10.85 |
-1.73 |
0 |
|
|
22522 |
597417 |
2 |
OC8H14 |
AB8C14 |
-89.27 |
1.87 |
-9.78 |
0.97 |
0 |
|
|
22523 |
597418 |
1 |
NO2C9H13 |
AB2C9D13 |
-78.78 |
7.85 |
-8.97 |
0.22 |
0 |
|
|
22524 |
597423 |
1 |
SC13H22 |
AB13C22 |
-27.94 |
0.45 |
-8.9 |
0.23 |
0 |
|
|
22525 |
597425 |
1 |
O3C12H16 |
A3B12C16 |
-82.86 |
2.91 |
-8.33 |
0.23 |
0 |
|
|
22526 |
597429 |
1 |
O5C18H20 |
A5B18C20 |
-166.04 |
2.64 |
-8.72 |
0.16 |
0 |
|
|
22527 |
597449 |
1 |
NO3C8H9 |
AB3C8D9 |
-109.16 |
1.61 |
-9.52 |
-0.77 |
0 |
|
|
22528 |
597528 |
1 |
SC14H14 |
AB14C14 |
40.53 |
1.84 |
-9.03 |
0.02 |
0 |
|
|
22529 |
597529 |
1 |
OH20C21 |
AB20C21 |
28.24 |
1.54 |
-9.28 |
0.19 |
0 |
|
|
22530 |
597530 |
2 |
NO2C10H10 |
AB2C10D10 |
-85.91 |
1.83 |
-9.48 |
-1.25 |
0 |
|
|
22531 |
597534 |
1 |
NSH15C18 |
ABC15D18 |
81.01 |
1.31 |
-8.67 |
-0.31 |
0 |
|
|
22532 |
597544 |
1 |
SO2N5C15H15 |
AB2C5D15E15 |
16.9 |
1.63 |
-9.09 |
-0.78 |
0 |
|
|
22534 |
597554 |
1 |
ON6C13H18 |
AB6C13D18 |
21.46 |
3.72 |
-8.72 |
0.03 |
0 |
|
|
22535 |
597557 |
1 |
B2O6C23H28 |
A2B6C23D28 |
-338.98 |
2.06 |
-9.4 |
0.0 |
0 |
|
|
22536 |
597573 |
1 |
BrN3O3H5C8 |
AB3C3D5E8 |
50.6 |
4.92 |
0.0 |
0.0 |
1 |
|
|
22537 |
597575 |
1 |
OSN2Cl3H7C11 |
ABC2D3E7F11 |
-1.1 |
3.5 |
-8.92 |
-0.97 |
0 |
|
|
22538 |
597576 |
2 |
NOH10C11 |
ABC10D11 |
10.28 |
5.18 |
-9.06 |
-0.39 |
0 |
|
|
22539 |
597577 |
2 |
ON3C4H6 |
AB3C4D6 |
-28.98 |
4.64 |
-9.4 |
-0.61 |
0 |
|
|
22540 |
597587 |
1 |
N2O2C9H14 |
A2B2C9D14 |
-78.29 |
4.08 |
-8.84 |
-0.85 |
0 |
|
|
22541 |
597607 |
1 |
NOS2H9C10 |
ABC2D9E10 |
1.27 |
2.77 |
-8.79 |
-0.86 |
0 |
|
|
22542 |
597608 |
4 |
OC3H4 |
AB3C4 |
-186.16 |
3.92 |
-9.24 |
-0.55 |
0 |
|
|
22543 |
597640 |
1 |
O2H14C15 |
A2B14C15 |
-42.86 |
2.06 |
-9.44 |
-0.59 |
0 |
|
|
22544 |
597650 |
1 |
N5C13H19 |
A5B13C19 |
63.5 |
3.43 |
-8.71 |
-0.45 |
0 |
|
|
22545 |
597652 |
1 |
OC26H32 |
AB26C32 |
-22.25 |
2.78 |
-9.1 |
0.09 |
0 |
|
|
22546 |
597656 |
1 |
NOS2H9C13 |
ABC2D9E13 |
35.15 |
4.0 |
-8.86 |
-1.39 |
0 |
|
|
22547 |
597660 |
1 |
SN2O4C11H12 |
AB2C4D11E12 |
-61.88 |
0.93 |
-8.49 |
-1.69 |
0 |
|
|
22548 |
597667 |
1 |
ON7C22H23 |
AB7C22D23 |
66.87 |
5.87 |
-8.12 |
-0.18 |
0 |
|
|
22549 |
597669 |
1 |
NOSC17H17 |
ABCD17E17 |
40.49 |
4.99 |
-8.84 |
-0.89 |
0 |
|
|
22550 |
597674 |
1 |
O5C18H24 |
A5B18C24 |
-167.94 |
10.01 |
-9.82 |
-0.71 |
0 |
|
|
22551 |
597712 |
1 |
NO2C11H19 |
AB2C11D19 |
-71.07 |
3.23 |
-8.69 |
0.22 |
0 |
|
|
22552 |
597713 |
1 |
BNOC10H22 |
ABCD10E22 |
-143.79 |
2.84 |
-9.1 |
2.08 |
0 |
|
|
22553 |
597715 |
1 |
ON3C12H23 |
AB3C12D23 |
-47.39 |
2.51 |
-9.06 |
0.34 |
0 |
|
|
22554 |
597716 |
1 |
SN4C6H8 |
AB4C6D8 |
69.28 |
4.53 |
-9.2 |
-0.27 |
0 |
|
|
22555 |
597727 |
1 |
NC13H27 |
AB13C27 |
-51.78 |
1.46 |
-8.7 |
3.12 |
0 |