List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
420345 |
135112637 |
1 |
Cl2N2O4C17H18 |
A2B2C4D17E18 |
-106.3 |
0.45 |
-9.35 |
-0.7 |
0 |
|
|
420346 |
135112640 |
1 |
SO2N5C15H23 |
AB2C5D15E23 |
-2.37 |
4.64 |
-8.74 |
-0.3 |
0 |
|
|
420347 |
135112641 |
1 |
ClN3O3C18H22 |
AB3C3D18E22 |
-88.55 |
3.61 |
-8.8 |
-0.25 |
0 |
|
|
420348 |
135112642 |
1 |
N6C21H32 |
A6B21C32 |
35.84 |
3.68 |
-8.6 |
-0.03 |
0 |
|
|
420349 |
135112664 |
1 |
FN4O5C27H33 |
AB4C5D27E33 |
-217.56 |
6.36 |
-9.25 |
-0.72 |
0 |
|
|
420350 |
135112667 |
1 |
FSN2O4C16H23 |
ABC2D4E16F23 |
-204.42 |
7.5 |
-9.5 |
-0.14 |
0 |
|
|
420351 |
135112668 |
1 |
SN6O6C35H44 |
AB6C6D35E44 |
-216.49 |
3.81 |
-8.85 |
-0.89 |
0 |
|
|
420352 |
135112669 |
1 |
O3N4C21H30 |
A3B4C21D30 |
-82.82 |
5.54 |
-8.92 |
-0.04 |
0 |
|
|
420353 |
135112671 |
1 |
O3N4C19H26 |
A3B4C19D26 |
-82.9 |
1.28 |
-8.89 |
0.05 |
0 |
|
|
420354 |
135112672 |
2 |
ON2C14H15 |
AB2C14D15 |
3.47 |
4.91 |
-8.77 |
-0.8 |
0 |
|
|
420355 |
135112674 |
1 |
FN5H20C22 |
AB5C20D22 |
68.64 |
3.4 |
-8.63 |
-0.56 |
0 |
|
|
420356 |
135112677 |
1 |
FON5C14H24 |
ABC5D14E24 |
-58.22 |
2.38 |
-8.5 |
0.04 |
0 |
|
|
420357 |
135112678 |
1 |
Cl2N6O7C33H42 |
A2B6C7D33E42 |
-278.35 |
6.93 |
-9.09 |
-1.11 |
0 |
|
|
420358 |
135112686 |
1 |
NO2C19H29 |
AB2C19D29 |
-108.06 |
1.91 |
-8.84 |
0.51 |
0 |
|
|
420359 |
135112702 |
1 |
N5O7C31H49 |
A5B7C31D49 |
-323.43 |
9.1 |
-8.45 |
0.07 |
0 |
|
|
420361 |
135112711 |
2 |
ON2C9H13 |
AB2C9D13 |
-51.87 |
2.48 |
-8.7 |
0.18 |
0 |
|
|
420362 |
135112725 |
1 |
FNO3C23H26 |
ABC3D23E26 |
-154.87 |
1.85 |
-9.41 |
-0.52 |
0 |
|
|
420363 |
135112729 |
1 |
ClN5C14H16 |
AB5C14D16 |
83.44 |
3.46 |
-8.78 |
-0.32 |
0 |
|
|
420364 |
135112731 |
1 |
O3N4C19H24 |
A3B4C19D24 |
-57.08 |
6.09 |
-8.68 |
-0.77 |
0 |
|
|
420365 |
135112743 |
2 |
FN2C11H11 |
AB2C11D11 |
-30.82 |
4.73 |
-8.87 |
-0.94 |
0 |
|
|
420367 |
135112745 |
1 |
NO3C24H31 |
AB3C24D31 |
-91.91 |
4.36 |
-8.33 |
0.12 |
0 |
|
|
420368 |
135112759 |
1 |
O2N4C17H22 |
A2B4C17D22 |
-54.92 |
1.55 |
-8.84 |
-0.07 |
0 |
|
|
420369 |
135112762 |
1 |
ClFN2O2C16H20 |
ABC2D2E16F20 |
-17.61 |
5.27 |
-8.87 |
-0.4 |
0 |
|
|
420370 |
135112764 |
1 |
ON3C14H23 |
AB3C14D23 |
-33.4 |
4.04 |
-9.03 |
-0.14 |
0 |
|
|
420371 |
135112789 |
2 |
NO2C12H19 |
AB2C12D19 |
-180.75 |
3.66 |
-8.5 |
0.41 |
0 |
|
|
420373 |
135112793 |
1 |
O5N7C34H43 |
A5B7C34D43 |
-155.32 |
9.9 |
-9.21 |
-0.47 |
0 |
|
|
420374 |
135112795 |
1 |
NSO6C16H23 |
ABC6D16E23 |
-249.82 |
3.88 |
-9.68 |
-0.79 |
0 |
|
|
420375 |
135112803 |
1 |
N4O4C21H24 |
A4B4C21D24 |
-110.4 |
1.61 |
-8.74 |
-0.64 |
0 |
|
|
420376 |
135112808 |
1 |
S2O3N4C15H20 |
A2B3C4D15E20 |
-45.95 |
4.7 |
-9.05 |
-0.75 |
0 |
|
|
420377 |
135112817 |
1 |
ON6C14H22 |
AB6C14D22 |
1.42 |
2.93 |
-8.5 |
0.34 |
0 |
|
|
420378 |
135112818 |
1 |
NSO3C22H29 |
ABC3D22E29 |
-108.63 |
3.49 |
-8.49 |
-0.15 |
0 |
|
|
420379 |
135112820 |
1 |
O3N4C16H22 |
A3B4C16D22 |
-119.24 |
2.35 |
-9.0 |
-0.22 |
0 |
|
|
420380 |
135112852 |
1 |
N3O3C14H19 |
A3B3C14D19 |
-110.53 |
3.11 |
-9.3 |
-0.68 |
0 |
|
|
420381 |
135112854 |
1 |
ClN6O8C36H47 |
AB6C8D36E47 |
-335.25 |
9.69 |
-9.27 |
-0.91 |
0 |
|
|
420382 |
135112874 |
1 |
O3N4C21H24 |
A3B4C21D24 |
-23.75 |
5.3 |
-8.82 |
-0.15 |
0 |
|
|
420383 |
135112878 |
1 |
O3N4C19H28 |
A3B4C19D28 |
-101.05 |
4.87 |
-8.66 |
-0.45 |
0 |
|
|
420384 |
135112881 |
1 |
NO3C18H25 |
AB3C18D25 |
-135.3 |
3.6 |
-8.95 |
0.13 |
0 |
|
|
420385 |
135112884 |
1 |
SN2O3C20H28 |
AB2C3D20E28 |
-113.42 |
5.29 |
-9.29 |
-0.52 |
0 |
|
|
420386 |
135112885 |
1 |
ON4C15H20 |
AB4C15D20 |
109.32 |
3.25 |
-8.79 |
-0.63 |
0 |
|
|
420387 |
135112887 |
1 |
O2N3C21H21 |
A2B3C21D21 |
0.6 |
3.53 |
-8.68 |
-0.42 |
0 |
|
|
420388 |
135112890 |
1 |
S2N3O4C15H19 |
A2B3C4D15E19 |
-112.88 |
3.49 |
-9.38 |
-1.01 |
0 |
|
|
420389 |
135112891 |
1 |
O3N4C21H24 |
A3B4C21D24 |
-77.88 |
2.82 |
-9.05 |
-0.33 |
0 |
|
|
420390 |
135112892 |
1 |
SO3N5C13H13 |
AB3C5D13E13 |
25.45 |
3.52 |
-9.57 |
-1.21 |
0 |
|
|
420391 |
135112903 |
1 |
N2O2C21H26 |
A2B2C21D26 |
-66.16 |
2.93 |
-9.41 |
-0.91 |
0 |
|
|
420392 |
135112922 |
1 |
ClOSN4C13H17 |
ABCD4E13F17 |
15.02 |
4.5 |
-8.84 |
-1.14 |
0 |
|
|
420393 |
135112926 |
1 |
ON4C20H22 |
AB4C20D22 |
46.68 |
5.8 |
-8.76 |
-0.63 |
0 |
|
|
420394 |
135112931 |
1 |
ClO2N3C16H22 |
AB2C3D16E22 |
-82.59 |
5.85 |
-8.54 |
-0.1 |
0 |
|
|
420395 |
135112936 |
1 |
ON5C13H21 |
AB5C13D21 |
16.35 |
5.23 |
-9.17 |
0.01 |
0 |
|
|
420396 |
135112942 |
1 |
N4O5C28H36 |
A4B5C28D36 |
-150.56 |
4.94 |
-8.27 |
-0.9 |
0 |
|
|
420397 |
135112943 |
1 |
NO2C19H29 |
AB2C19D29 |
-87.8 |
2.73 |
-8.39 |
0.55 |
0 |
|
|
420398 |
135112944 |
1 |
O3N4C17H22 |
A3B4C17D22 |
-45.34 |
5.83 |
-9.07 |
-0.5 |
0 |
|
|
420399 |
135112945 |
1 |
FN2O4C18H25 |
AB2C4D18E25 |
-205.59 |
1.63 |
-8.99 |
-0.67 |
0 |
|
|
420400 |
135112947 |
1 |
N2S2O3C15H24 |
A2B2C3D15E24 |
-108.63 |
4.34 |
-8.87 |
-0.9 |
0 |
|
|
420401 |
135112948 |
1 |
O2N5C14H25 |
A2B5C14D25 |
-84.19 |
5.94 |
-9.68 |
0.18 |
0 |
|
|
420403 |
135112950 |
2 |
O2N3C8H8 |
A2B3C8D8 |
-10.83 |
7.62 |
-9.37 |
-1.44 |
0 |
|
|
420404 |
135112951 |
3 |
NOC7H7 |
ABC7D7 |
-76.82 |
6.19 |
-9.2 |
-0.99 |
0 |
|
|
420405 |
135112952 |
1 |
NSO3C13H17 |
ABC3D13E17 |
-111.11 |
6.91 |
-9.34 |
-0.39 |
0 |
|
|
420406 |
135112959 |
1 |
NSO2C17H23 |
ABC2D17E23 |
-83.13 |
5.0 |
-9.21 |
-0.29 |
0 |
|
|
420407 |
135112960 |
2 |
ON2C7H8 |
AB2C7D8 |
-16.61 |
5.21 |
-9.96 |
-0.58 |
0 |
|
|
420408 |
135112969 |
1 |
ON3C20H27 |
AB3C20D27 |
-11.73 |
4.85 |
-9.15 |
-0.63 |
0 |
|
|
420409 |
135112976 |
1 |
ClN3O3C20H26 |
AB3C3D20E26 |
-74.44 |
5.92 |
-9.33 |
-1.01 |
0 |
|
|
420410 |
135112977 |
1 |
ON6C17H22 |
AB6C17D22 |
34.64 |
2.09 |
-8.94 |
-0.05 |
0 |
|
|
420411 |
135112978 |
1 |
N6C17H24 |
A6B17C24 |
60.58 |
6.32 |
-9.08 |
-0.13 |
0 |
|
|
420412 |
135112981 |
1 |
N5O5C31H39 |
A5B5C31D39 |
-115.4 |
8.2 |
-8.44 |
-0.26 |
0 |
|
|
420414 |
135112994 |
1 |
O2N3C19H21 |
A2B3C19D21 |
-6.84 |
6.82 |
-9.19 |
-0.62 |
0 |
|
|
420415 |
135112995 |
1 |
ClO3N4C14H17 |
AB3C4D14E17 |
-37.15 |
2.87 |
-9.85 |
-0.62 |
0 |
|
|
420416 |
135112996 |
1 |
N2O3C19H22 |
A2B3C19D22 |
-83.17 |
5.85 |
-8.95 |
-0.22 |
0 |
|
|
420417 |
135113020 |
1 |
F2O2N3C22H31 |
A2B2C3D22E31 |
-190.38 |
4.76 |
-9.04 |
-0.08 |
0 |
|
|
420418 |
135113026 |
2 |
NOC9H14 |
ABC9D14 |
-80.56 |
4.07 |
-8.79 |
-0.08 |
0 |
|
|
420419 |
135113035 |
1 |
N3O3C16H17 |
A3B3C16D17 |
-77.73 |
4.88 |
-9.55 |
-0.88 |
0 |
|
|
420420 |
135113044 |
1 |
N4O4C19H20 |
A4B4C19D20 |
-32.06 |
3.57 |
-9.72 |
-1.25 |
0 |
|
|
420421 |
135113052 |
1 |
NO7C17H19 |
AB7C17D19 |
-238.25 |
5.98 |
-8.4 |
-0.74 |
0 |
|
|
420423 |
135113056 |
1 |
ClN2O5C18H25 |
AB2C5D18E25 |
-227.45 |
4.25 |
-8.61 |
-0.23 |
0 |
|
|
420424 |
135113057 |
1 |
OSN4C16H22 |
ABC4D16E22 |
9.62 |
3.84 |
-8.81 |
-0.83 |
0 |
|
|
420425 |
135113058 |
2 |
ON2C12H14 |
AB2C12D14 |
-45.64 |
2.68 |
-9.17 |
-0.72 |
0 |