List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
136312 |
52017698 |
1 |
SN2O4C20H20 |
AB2C4D20E20 |
-124.42 |
7.03 |
-8.85 |
-0.71 |
0 |
|
|
136313 |
52017699 |
1 |
SN2O5H20C26 |
AB2C5D20E26 |
-90.71 |
3.11 |
-8.85 |
-0.85 |
0 |
|
|
136314 |
52018044 |
1 |
OCl2N5H13C16 |
AB2C5D13E16 |
61.37 |
3.42 |
-9.43 |
-1.28 |
0 |
|
|
136315 |
52018492 |
2 |
NO3H12C14 |
AB3C12D14 |
-132.73 |
7.62 |
-8.74 |
-0.88 |
-1 |
|
|
136316 |
52018525 |
1 |
S2O3N6H17C20 |
A2B3C6D17E20 |
46.58 |
13.19 |
0.0 |
0.0 |
0 |
|
|
136317 |
52018850 |
1 |
OSF2N2H14C20 |
ABC2D2E14F20 |
-34.61 |
2.25 |
-8.66 |
-0.8 |
0 |
|
|
136318 |
52018851 |
1 |
ClFOSN2H14C20 |
ABCDE2F14G20 |
1.29 |
1.12 |
-8.66 |
-0.83 |
0 |
|
|
136319 |
52018852 |
1 |
FOSCl2N2H13C20 |
ABCD2E2F13G20 |
-4.0 |
3.07 |
-8.79 |
-0.97 |
0 |
|
|
136320 |
52018853 |
1 |
FOSCl2N2H13C20 |
ABCD2E2F13G20 |
-7.58 |
1.77 |
-8.74 |
-0.99 |
0 |
|
|
136321 |
52019637 |
1 |
N2O3H22C24 |
A2B3C22D24 |
-53.78 |
4.13 |
-8.5 |
-0.25 |
0 |
|
|
136322 |
52019924 |
1 |
N3O4C21H21 |
A3B4C21D21 |
-88.45 |
9.05 |
-8.98 |
-0.92 |
0 |
|
|
136323 |
52019963 |
1 |
ClSN3O5H20C24 |
ABC3D5E20F24 |
-108.1 |
7.35 |
-8.35 |
-1.57 |
0 |
|
|
136324 |
52020037 |
1 |
ClN3O4H20C21 |
AB3C4D20E21 |
-96.14 |
9.04 |
-9.25 |
-1.25 |
0 |
|
|
136325 |
52021709 |
1 |
ClSO2N3H18C21 |
ABC2D3E18F21 |
9.96 |
2.9 |
-8.46 |
-0.92 |
1 |
|
|
136326 |
52022443 |
1 |
ON7C14H16 |
AB7C14D16 |
102.42 |
4.3 |
0.0 |
0.0 |
0 |
|
|
136327 |
52023256 |
1 |
N2O3C17H18 |
A2B3C17D18 |
-53.27 |
2.46 |
-8.85 |
-0.48 |
0 |
|
|
136328 |
52023343 |
1 |
ClN2O2C13H15 |
AB2C2D13E15 |
-69.22 |
3.47 |
-8.66 |
-0.61 |
0 |
|
|
136329 |
52023344 |
1 |
ClN2O2C13H15 |
AB2C2D13E15 |
-68.0 |
2.1 |
-8.82 |
-0.8 |
1 |
|
|
136330 |
52023718 |
1 |
FO2N4C16H20 |
AB2C4D16E20 |
-51.46 |
17.72 |
0.0 |
0.0 |
0 |
|
|
136331 |
52024322 |
1 |
BrClON3H7C11 |
ABCD3E7F11 |
19.12 |
4.03 |
-9.4 |
-1.29 |
0 |
|
|
136332 |
52024724 |
1 |
BrON4C18H21 |
ABC4D18E21 |
12.63 |
2.12 |
-9.45 |
-0.64 |
0 |
|
|
136333 |
52024740 |
2 |
ON3C8H10 |
AB3C8D10 |
-15.64 |
8.08 |
-9.27 |
-1.44 |
0 |
|
|
136334 |
52025403 |
1 |
ON5C18H19 |
AB5C18D19 |
28.67 |
6.79 |
-8.77 |
-0.53 |
0 |
|
|
136335 |
52025671 |
1 |
ON4C22H22 |
AB4C22D22 |
43.69 |
6.89 |
-8.36 |
-0.31 |
0 |
|
|
136336 |
52025855 |
1 |
ON5H15C19 |
AB5C15D19 |
68.24 |
2.9 |
-8.62 |
-0.87 |
0 |
|
|
136337 |
52025856 |
1 |
ON5H15C19 |
AB5C15D19 |
72.28 |
6.73 |
-8.71 |
-0.91 |
0 |
|
|
136338 |
52025857 |
1 |
ON4H14C19 |
AB4C14D19 |
74.12 |
4.53 |
-8.93 |
-0.93 |
0 |
|
|
136339 |
52025858 |
1 |
ON5H15C19 |
AB5C15D19 |
70.59 |
5.72 |
-8.64 |
-0.89 |
0 |
|
|
136340 |
52025859 |
1 |
O3N4H16C20 |
A3B4C16D20 |
-11.84 |
5.81 |
-8.51 |
-1.07 |
0 |
|
|
136341 |
52026166 |
1 |
N3O3H13C15 |
A3B3C13D15 |
-33.46 |
4.7 |
-9.39 |
-1.0 |
0 |
|
|
136342 |
52026276 |
1 |
O3N5C12H15 |
A3B5C12D15 |
-69.32 |
6.74 |
-9.65 |
-1.12 |
0 |
|
|
136343 |
52026295 |
1 |
BrON6H15C17 |
ABC6D15E17 |
71.78 |
7.47 |
-9.04 |
-0.95 |
0 |
|
|
136344 |
52026296 |
1 |
O3N5H15C16 |
A3B5C15D16 |
-11.23 |
5.65 |
-9.24 |
-0.87 |
0 |
|
|
136345 |
52026727 |
1 |
ON3H15C18 |
AB3C15D18 |
55.82 |
4.43 |
-8.62 |
-1.18 |
0 |
|
|
136346 |
52026894 |
2 |
NO2C9H9 |
AB2C9D9 |
-103.12 |
1.34 |
-8.21 |
-0.62 |
0 |
|
|
136347 |
52026895 |
1 |
O2N3C17H17 |
A2B3C17D17 |
-6.23 |
5.18 |
-8.32 |
-0.77 |
0 |
|
|
136348 |
52026896 |
1 |
N2O3C19H20 |
A2B3C19D20 |
-69.05 |
6.91 |
-7.94 |
-0.38 |
0 |
|
|
136349 |
52027010 |
1 |
BrON4H15C16 |
ABC4D15E16 |
34.28 |
3.37 |
-8.83 |
-0.75 |
0 |
|
|
136350 |
52027056 |
1 |
ClOF2N2H13C17 |
ABC2D2E13F17 |
-78.7 |
7.53 |
-8.46 |
-1.08 |
0 |
|
|
136351 |
52027261 |
1 |
BrON3H16C18 |
ABC3D16E18 |
31.68 |
3.18 |
-8.88 |
-0.5 |
0 |
|
|
136352 |
52027262 |
1 |
BrN2O2H19C20 |
AB2C2D19E20 |
-33.51 |
3.5 |
-8.9 |
-0.56 |
0 |
|
|
136353 |
52027263 |
1 |
BrN2O2H19C20 |
AB2C2D19E20 |
-33.29 |
3.33 |
-8.89 |
-0.54 |
0 |
|
|
136354 |
52027382 |
1 |
FON3H18C19 |
ABC3D18E19 |
-31.61 |
6.61 |
-8.5 |
-0.1 |
0 |
|
|
136355 |
52027569 |
1 |
ON4C19H20 |
AB4C19D20 |
16.7 |
3.84 |
-8.24 |
-0.2 |
0 |
|
|
136356 |
52027570 |
2 |
ON2C9H9 |
AB2C9D9 |
-17.55 |
5.29 |
-8.4 |
-0.98 |
0 |
|
|
136357 |
52027571 |
2 |
ON2C9H9 |
AB2C9D9 |
-17.71 |
5.46 |
-8.41 |
-0.96 |
0 |
|
|
136358 |
52027572 |
1 |
ON4C19H20 |
AB4C19D20 |
17.88 |
7.55 |
-8.73 |
-0.33 |
0 |
|
|
136359 |
52027986 |
1 |
BrON4C19H19 |
ABC4D19E19 |
25.55 |
6.15 |
-8.44 |
-0.46 |
0 |
|
|
136360 |
52027987 |
1 |
BrON4C19H19 |
ABC4D19E19 |
23.68 |
5.41 |
-8.69 |
-0.43 |
0 |
|
|
136361 |
52028046 |
1 |
N2O3C19H20 |
A2B3C19D20 |
-49.1 |
3.56 |
-8.15 |
-0.08 |
1 |
|
|
136362 |
52028092 |
1 |
O2N3C17H24 |
A2B3C17D24 |
-34.96 |
3.81 |
0.0 |
0.0 |
0 |
|
|
136363 |
52028291 |
1 |
ClON3C16H20 |
ABC3D16E20 |
-26.48 |
6.17 |
-8.47 |
-0.2 |
0 |
|
|
136364 |
52028292 |
1 |
ClON3C20H20 |
ABC3D20E20 |
12.72 |
3.86 |
-8.59 |
-0.41 |
0 |
|
|
136365 |
52028293 |
1 |
ClON3C20H20 |
ABC3D20E20 |
12.51 |
4.07 |
-8.62 |
-0.39 |
0 |
|
|
136366 |
52028459 |
1 |
FON3H18C19 |
ABC3D18E19 |
-18.59 |
4.17 |
-8.57 |
-0.35 |
1 |
|
|
136367 |
52029266 |
1 |
ClON5C19H21 |
ABC5D19E21 |
70.32 |
17.03 |
0.0 |
0.0 |
0 |
|
|
136368 |
52029530 |
1 |
ClFO2N3H17C20 |
ABC2D3E17F20 |
-76.96 |
2.76 |
-9.25 |
-0.94 |
0 |
|
|
136369 |
52029932 |
1 |
N3O4C24H27 |
A3B4C24D27 |
-104.38 |
3.51 |
-8.49 |
-0.76 |
0 |
|
|
136370 |
52030191 |
1 |
O2N3C23H25 |
A2B3C23D25 |
-42.27 |
2.17 |
-8.79 |
-0.73 |
0 |
|
|
136371 |
52030438 |
1 |
FO2N3H20C25 |
AB2C3D20E25 |
-32.55 |
2.54 |
-9.11 |
-1.01 |
0 |
|
|
136372 |
52030439 |
1 |
FO2N3H20C25 |
AB2C3D20E25 |
-36.18 |
4.16 |
-9.18 |
-1.16 |
0 |
|
|
136373 |
52030826 |
1 |
BrO2N3H20C21 |
AB2C3D20E21 |
-26.18 |
4.16 |
-9.19 |
-0.65 |
0 |
|
|
136374 |
52030827 |
1 |
BrO2N3H20C21 |
AB2C3D20E21 |
-26.42 |
4.25 |
-9.02 |
-0.72 |
0 |
|
|
136375 |
52030828 |
1 |
ClFO2N3H19C21 |
ABC2D3E19F21 |
-83.56 |
3.47 |
-9.23 |
-0.63 |
0 |
|
|
136376 |
52030870 |
1 |
ClO2N3C22H22 |
AB2C3D22E22 |
-40.88 |
4.54 |
-9.36 |
-0.54 |
0 |
|
|
136377 |
52030871 |
1 |
Cl2O2N3H21C22 |
A2B2C3D21E22 |
-46.87 |
4.95 |
-9.36 |
-0.6 |
0 |
|
|
136378 |
52030872 |
1 |
BrO2N3C22H22 |
AB2C3D22E22 |
-29.37 |
2.75 |
-9.38 |
-0.55 |
0 |
|
|
136379 |
52030873 |
1 |
N3O3C20H21 |
A3B3C20D21 |
-62.44 |
3.6 |
-9.35 |
-0.49 |
0 |
|
|
136380 |
52031094 |
1 |
FN3O3C22H24 |
AB3C3D22E24 |
-120.68 |
5.49 |
-8.63 |
-0.27 |
0 |
|
|
136381 |
52031229 |
1 |
ClFN2O3H16C18 |
ABC2D3E16F18 |
-136.96 |
4.65 |
-8.95 |
-0.86 |
0 |
|
|
136382 |
52031438 |
1 |
N2O5C24H30 |
A2B5C24D30 |
-175.12 |
2.17 |
-8.45 |
-0.3 |
0 |
|
|
136383 |
52031439 |
1 |
N2O5C26H34 |
A2B5C26D34 |
-191.21 |
3.7 |
-8.46 |
-0.12 |
0 |
|
|
136384 |
52031440 |
1 |
N2O5C23H26 |
A2B5C23D26 |
-163.67 |
1.82 |
-8.67 |
-0.28 |
0 |
|
|
136385 |
52031441 |
1 |
SN2O3C23H28 |
AB2C3D23E28 |
-100.26 |
4.78 |
-8.7 |
-0.34 |
0 |
|
|
136386 |
52031442 |
1 |
N3O3C24H31 |
A3B3C24D31 |
-100.12 |
4.03 |
-8.22 |
-0.19 |
0 |
|
|
136387 |
52031459 |
1 |
N2O3C24H30 |
A2B3C24D30 |
-115.42 |
0.47 |
-8.73 |
-0.34 |
0 |
|
|
136388 |
52031460 |
1 |
N2O5C25H32 |
A2B5C25D32 |
-182.41 |
7.4 |
-8.54 |
-0.19 |
0 |
|
|
136389 |
52031602 |
1 |
Cl2N2O3H16C18 |
A2B2C3D16E18 |
-100.58 |
4.88 |
-8.99 |
-0.82 |
0 |
|
|
136390 |
52031970 |
1 |
FO2N4C22H23 |
AB2C4D22E23 |
-73.71 |
3.09 |
-8.29 |
-0.75 |
0 |
|
|
136391 |
52032218 |
1 |
O2F3N4C25H27 |
A2B3C4D25E27 |
-195.0 |
5.59 |
-8.4 |
-0.81 |
0 |
|
|
136392 |
52032219 |
1 |
O2F3N4C25H27 |
A2B3C4D25E27 |
-195.43 |
4.68 |
-8.35 |
-0.79 |
0 |
|
|
136393 |
52032220 |
1 |
ClFO2N4C24H26 |
ABC2D4E24F26 |
-89.88 |
1.65 |
-8.28 |
-0.69 |
0 |
|
|
136394 |
52032221 |
2 |
FON2C12H13 |
ABC2D12E13 |
-128.55 |
2.8 |
-8.29 |
-0.7 |
0 |
|
|
136395 |
52032439 |
1 |
BrO2N4C24H27 |
AB2C4D24E27 |
-39.34 |
3.64 |
-8.4 |
-0.82 |
0 |
|
|
136396 |
52032777 |
1 |
FO3N5C25H28 |
AB3C5D25E28 |
-93.04 |
3.44 |
-8.52 |
-0.98 |
0 |
|
|
136397 |
52032863 |
1 |
BrSO2N4C21H21 |
ABC2D4E21F21 |
-13.89 |
4.16 |
-8.6 |
-1.03 |
0 |
|
|
136398 |
52032980 |
1 |
O2N4C25H30 |
A2B4C25D30 |
-44.76 |
3.43 |
-8.26 |
-0.71 |
0 |
|
|
136399 |
52033372 |
2 |
N2O2C15H20 |
A2B2C15D20 |
-137.77 |
2.83 |
-8.29 |
-0.77 |
0 |
|
|
136400 |
52033466 |
1 |
O3N5C29H37 |
A3B5C29D37 |
-76.19 |
2.89 |
-8.2 |
-0.57 |
0 |
|
|
136401 |
52033728 |
1 |
SO2N4C26H32 |
AB2C4D26E32 |
-39.92 |
2.6 |
-8.39 |
-0.81 |
0 |
|
|
136402 |
52034533 |
1 |
O3N5C21H33 |
A3B5C21D33 |
-111.28 |
7.17 |
-9.62 |
-0.66 |
0 |
|
|
136403 |
52034534 |
1 |
O3N5C22H35 |
A3B5C22D35 |
-116.85 |
8.2 |
-9.45 |
-0.68 |
0 |
|
|
136404 |
52034556 |
1 |
O2N5C21H33 |
A2B5C21D33 |
-74.11 |
6.25 |
-9.87 |
-0.59 |
0 |
|
|
136405 |
52034562 |
1 |
O2N5C21H33 |
A2B5C21D33 |
-76.76 |
6.49 |
-9.91 |
-0.59 |
0 |
|
|
136406 |
52034692 |
1 |
O2F3N5C21H30 |
A2B3C5D21E30 |
-242.14 |
9.13 |
-9.95 |
-0.55 |
0 |
|
|
136407 |
52034794 |
1 |
O2N5C20H31 |
A2B5C20D31 |
-83.16 |
6.74 |
-9.82 |
-0.44 |
0 |
|
|
136408 |
52034951 |
1 |
O2N6C19H30 |
A2B6C19D30 |
-60.26 |
7.67 |
-8.74 |
-0.53 |
0 |
|
|
136409 |
52035263 |
1 |
O2N5C23H37 |
A2B5C23D37 |
-91.4 |
7.28 |
-9.75 |
-0.48 |
0 |
|
|
136410 |
52035516 |
1 |
O3N6C29H46 |
A3B6C29D46 |
-123.01 |
4.78 |
-8.51 |
-0.39 |
0 |
|
|
136411 |
52035560 |
1 |
O4N5C27H43 |
A4B5C27D43 |
-170.96 |
9.21 |
-9.55 |
-0.43 |
0 |