List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
28473 |
827798 |
1 |
NSO3C19H23 |
ABC3D19E23 |
-122.65 |
3.32 |
-8.63 |
-0.77 |
0 |
|
|
28474 |
827816 |
1 |
N2O4C17H18 |
A2B4C17D18 |
-113.97 |
3.91 |
-9.35 |
-0.48 |
0 |
|
|
28475 |
827817 |
2 |
NO2C9H9 |
AB2C9D9 |
-88.37 |
3.94 |
-9.32 |
-0.44 |
0 |
|
|
28476 |
827830 |
1 |
FON3H16C20 |
ABC3D16E20 |
16.62 |
3.99 |
-8.56 |
-1.12 |
0 |
|
|
28477 |
827834 |
1 |
ON2C18H20 |
AB2C18D20 |
-5.15 |
3.15 |
-8.28 |
-0.17 |
0 |
|
|
28478 |
827850 |
1 |
NO3C21H23 |
AB3C21D23 |
-89.32 |
4.58 |
-8.33 |
-0.2 |
0 |
|
|
28479 |
827861 |
1 |
NO3C22H23 |
AB3C22D23 |
-83.23 |
2.47 |
-8.57 |
-0.39 |
0 |
|
|
28480 |
827863 |
1 |
NSO2H13C19 |
ABC2D13E19 |
6.09 |
3.01 |
-8.94 |
-1.48 |
0 |
|
|
28481 |
827877 |
1 |
O2N3H13C18 |
A2B3C13D18 |
30.99 |
2.37 |
-9.13 |
-1.03 |
0 |
|
|
28482 |
827894 |
1 |
O2N3C17H17 |
A2B3C17D17 |
-5.89 |
1.65 |
-8.97 |
-0.93 |
0 |
|
|
28483 |
827895 |
1 |
N3O4H15C18 |
A3B4C15D18 |
-67.53 |
4.2 |
-9.15 |
-1.17 |
0 |
|
|
28484 |
827897 |
1 |
O2N3C9H9 |
A2B3C9D9 |
-67.85 |
9.82 |
-9.65 |
-1.3 |
0 |
|
|
28485 |
827918 |
1 |
SN3C10H13 |
AB3C10D13 |
43.91 |
5.54 |
-8.13 |
-0.5 |
0 |
|
|
28486 |
827921 |
1 |
N3H15C16 |
A3B15C16 |
97.05 |
2.74 |
-8.64 |
-0.9 |
0 |
|
|
28487 |
827923 |
1 |
N2O2H14C21 |
A2B2C14D21 |
66.72 |
6.62 |
-9.44 |
-1.34 |
0 |
|
|
28488 |
827947 |
1 |
NO2C19H27 |
AB2C19D27 |
-104.6 |
4.99 |
-9.08 |
-0.5 |
0 |
|
|
28489 |
827952 |
1 |
ClSO2C15H15 |
ABC2D15E15 |
-67.55 |
5.41 |
-9.62 |
-0.67 |
0 |
|
|
28490 |
827969 |
1 |
N2O3H18C19 |
A2B3C18D19 |
-97.3 |
0.85 |
-8.86 |
-0.7 |
0 |
|
|
28491 |
827971 |
1 |
SO2C16H18 |
AB2C16D18 |
-64.94 |
5.97 |
-9.22 |
-0.18 |
0 |
|
|
28492 |
827973 |
1 |
N2O3C20H20 |
A2B3C20D20 |
-84.42 |
9.04 |
-7.86 |
-0.82 |
0 |
|
|
28493 |
827974 |
2 |
NC8H12 |
AB8C12 |
9.91 |
2.56 |
-8.79 |
-0.17 |
0 |
|
|
28494 |
827975 |
1 |
ClNOC9H16 |
ABCD9E16 |
-80.21 |
3.81 |
-9.32 |
0.01 |
0 |
|
|
28495 |
827976 |
1 |
ON2H10C12 |
AB2C10D12 |
36.7 |
2.98 |
-8.65 |
-0.63 |
0 |
|
|
28496 |
827977 |
1 |
NO5H13C19 |
AB5C13D19 |
-126.12 |
1.75 |
-8.8 |
-1.29 |
0 |
|
|
28497 |
827978 |
1 |
N2O4H18C19 |
A2B4C18D19 |
-127.18 |
1.32 |
-8.59 |
-0.69 |
0 |
|
|
28498 |
827979 |
1 |
BrClNO2H5C7 |
ABCD2E5F7 |
-70.5 |
2.52 |
-9.19 |
-1.26 |
0 |
|
|
28499 |
827980 |
1 |
N3O3H17C19 |
A3B3C17D19 |
-66.01 |
1.75 |
-8.4 |
-0.67 |
0 |
|
|
28500 |
827981 |
1 |
INSH4C7 |
ABCD4E7 |
72.97 |
2.02 |
-9.28 |
-1.69 |
0 |
|
|
28501 |
827982 |
1 |
N2O2C17H18 |
A2B2C17D18 |
-25.44 |
4.9 |
-9.16 |
-0.42 |
0 |
|
|
28502 |
827984 |
1 |
N3O3C19H19 |
A3B3C19D19 |
-73.34 |
9.13 |
-7.59 |
-0.79 |
0 |
|
|
28503 |
827995 |
1 |
ON3C14H17 |
AB3C14D17 |
14.4 |
3.39 |
-8.5 |
-0.43 |
0 |
|
|
28504 |
827996 |
1 |
ON4C20H20 |
AB4C20D20 |
38.4 |
2.16 |
-8.2 |
-0.34 |
0 |
|
|
28505 |
828000 |
1 |
BrON2H11C14 |
ABC2D11E14 |
43.38 |
0.4 |
-8.47 |
-0.97 |
0 |
|
|
28506 |
828002 |
1 |
FON2H15C19 |
ABC2D15E19 |
-17.44 |
4.3 |
-8.75 |
-0.36 |
0 |
|
|
28507 |
828011 |
1 |
O5C12H14 |
A5B12C14 |
-188.86 |
7.45 |
-8.94 |
-0.88 |
0 |
|
|
28508 |
828013 |
1 |
ON3C18H19 |
AB3C18D19 |
16.44 |
3.96 |
-8.01 |
-0.27 |
0 |
|
|
28509 |
828014 |
1 |
N3C19H21 |
A3B19C21 |
37.32 |
3.12 |
-8.02 |
-0.26 |
0 |
|
|
28510 |
828025 |
1 |
ON2C21H22 |
AB2C21D22 |
2.02 |
5.12 |
-8.86 |
-0.77 |
0 |
|
|
28511 |
828026 |
1 |
N3O4H13C15 |
A3B4C13D15 |
3.83 |
5.22 |
-9.03 |
-2.28 |
0 |
|
|
28512 |
828027 |
1 |
N2O3H14C15 |
A2B3C14D15 |
6.93 |
6.09 |
-8.69 |
-1.44 |
0 |
|
|
28513 |
828028 |
1 |
ON2C19H22 |
AB2C19D22 |
33.95 |
1.16 |
-9.05 |
0.1 |
0 |
|
|
28514 |
828031 |
1 |
O2N4H18C19 |
A2B4C18D19 |
34.84 |
4.22 |
-8.44 |
-1.02 |
0 |
|
|
28515 |
828032 |
1 |
O3N5C14H17 |
A3B5C14D17 |
45.55 |
7.63 |
-8.54 |
-1.32 |
0 |
|
|
28516 |
828042 |
1 |
FN4C15H19 |
AB4C15D19 |
11.23 |
1.67 |
-8.33 |
-0.65 |
0 |
|
|
28517 |
828048 |
1 |
N2O3H18C21 |
A2B3C18D21 |
-17.76 |
5.18 |
-8.69 |
-0.82 |
0 |
|
|
28518 |
828052 |
1 |
O2N3C19H19 |
A2B3C19D19 |
4.03 |
5.45 |
-8.35 |
-0.34 |
0 |
|
|
28519 |
828064 |
1 |
O2N4H18C19 |
A2B4C18D19 |
0.06 |
3.26 |
-8.9 |
-0.94 |
0 |
|
|
28520 |
828082 |
1 |
OSN2H16C21 |
ABC2D16E21 |
47.08 |
5.3 |
-8.2 |
-0.95 |
0 |
|
|
28521 |
828087 |
1 |
ON4C20H24 |
AB4C20D24 |
32.71 |
4.44 |
-8.9 |
-0.09 |
0 |
|
|
28522 |
828103 |
1 |
NO3H19C22 |
AB3C19D22 |
-49.25 |
6.84 |
-8.63 |
-1.3 |
0 |