List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
277000 |
103826198 |
1 |
FN3C11H16 |
AB3C11D16 |
-13.84 |
2.55 |
-9.02 |
-0.46 |
0 |
|
|
277001 |
103826204 |
1 |
OSN3C12H19 |
ABC3D12E19 |
-31.31 |
3.83 |
-9.26 |
-0.62 |
0 |
|
|
277002 |
103826205 |
1 |
OSN3C13H21 |
ABC3D13E21 |
-37.07 |
4.06 |
-9.29 |
-0.6 |
0 |
|
|
277003 |
103826207 |
1 |
FN3C12H18 |
AB3C12D18 |
-30.55 |
2.88 |
-8.92 |
-0.39 |
0 |
|
|
277004 |
103826215 |
1 |
FON4C10H15 |
ABC4D10E15 |
-58.53 |
5.19 |
-9.01 |
-0.43 |
0 |
|
|
277005 |
103826217 |
1 |
BrON5H10C12 |
ABC5D10E12 |
101.19 |
1.77 |
-8.66 |
-0.78 |
0 |
|
|
277006 |
103826219 |
2 |
ON3C7H10 |
AB3C7D10 |
-13.69 |
1.4 |
-8.58 |
-0.76 |
0 |
|
|
277007 |
103826220 |
1 |
BrON5H12C14 |
ABC5D12E14 |
86.17 |
3.52 |
-8.96 |
-1.03 |
0 |
|
|
277008 |
103826223 |
1 |
N5C16H19 |
A5B16C19 |
94.32 |
5.27 |
-8.46 |
-0.14 |
0 |
|
|
277009 |
103826227 |
1 |
BrFN3H13C16 |
ABC3D13E16 |
45.1 |
3.05 |
-8.75 |
-0.7 |
0 |
|
|
277010 |
103826229 |
1 |
N5C15H17 |
A5B15C17 |
99.51 |
5.44 |
-8.46 |
-0.18 |
0 |
|
|
277011 |
103826230 |
1 |
BrON4H13C14 |
ABC4D13E14 |
60.02 |
3.04 |
-8.2 |
-0.18 |
0 |
|
|
277012 |
103826236 |
1 |
ClN2O3C13H17 |
AB2C3D13E17 |
-56.44 |
9.81 |
-9.02 |
-1.05 |
0 |
|
|
277013 |
103826242 |
1 |
FN2O3C13H17 |
AB2C3D13E17 |
-91.87 |
8.72 |
-9.06 |
-1.12 |
0 |
|
|
277014 |
103826248 |
1 |
NSF2O3C14H19 |
ABC2D3E14F19 |
-217.73 |
10.17 |
-8.93 |
-0.24 |
0 |
|
|
277015 |
103826252 |
1 |
N3O3C14H17 |
A3B3C14D17 |
-18.93 |
9.93 |
-9.26 |
-1.27 |
0 |
|
|
277016 |
103826260 |
1 |
NO2C18H19 |
AB2C18D19 |
-14.05 |
3.01 |
-8.85 |
-0.35 |
0 |
|
|
277017 |
103826261 |
2 |
NOC7H9 |
ABC7D9 |
-51.11 |
3.15 |
-9.06 |
-0.3 |
0 |
|
|
277018 |
103826262 |
1 |
ON2C16H32 |
AB2C16D32 |
-104.04 |
3.14 |
-8.86 |
1.14 |
0 |
|
|
277019 |
103826269 |
1 |
O2N3C14H15 |
A2B3C14D15 |
21.03 |
3.01 |
-9.09 |
-0.36 |
0 |
|
|
277020 |
103826287 |
1 |
NO2C15H19 |
AB2C15D19 |
-23.52 |
2.89 |
-8.81 |
-0.13 |
0 |
|
|
277021 |
103826298 |
1 |
NO2C17H35 |
AB2C17D35 |
-148.8 |
2.08 |
-8.97 |
2.22 |
0 |
|
|
277022 |
103826310 |
1 |
NO2C16H33 |
AB2C16D33 |
-139.88 |
2.6 |
-8.96 |
1.89 |
0 |
|
|
277023 |
103826311 |
1 |
NOSC16H21 |
ABCD16E21 |
-12.16 |
1.27 |
-8.55 |
-0.26 |
0 |
|
|
277024 |
103826312 |
1 |
NO2C16H21 |
AB2C16D21 |
-61.64 |
0.91 |
-9.07 |
-0.31 |
0 |
|
|
277025 |
103826325 |
1 |
NO2C15H21 |
AB2C15D21 |
-60.0 |
3.38 |
-9.02 |
-0.31 |
0 |
|
|
277026 |
103826333 |
1 |
N2O3C17H22 |
A2B3C17D22 |
-88.75 |
1.05 |
-9.19 |
-0.47 |
0 |
|
|
277027 |
103826337 |
1 |
NO2C16H21 |
AB2C16D21 |
-51.96 |
1.03 |
-9.05 |
-0.33 |
0 |
|
|
277028 |
103826345 |
1 |
BrNSO2C9H14 |
ABCD2E9F14 |
-62.82 |
1.69 |
-8.82 |
-0.43 |
0 |
|
|
277029 |
103826346 |
1 |
NO2C16H21 |
AB2C16D21 |
-21.94 |
3.43 |
-8.9 |
-0.14 |
0 |
|
|
277030 |
103826350 |
1 |
ON2H14C15 |
AB2C14D15 |
33.49 |
3.05 |
-8.56 |
-0.48 |
0 |
|
|
277031 |
103826355 |
1 |
ON3C11H19 |
AB3C11D19 |
-28.81 |
5.66 |
-9.18 |
0.74 |
0 |
|
|
277032 |
103826365 |
1 |
ON3C11H19 |
AB3C11D19 |
-20.14 |
5.15 |
-9.33 |
0.75 |
0 |
|
|
277033 |
103826371 |
1 |
N2O3C18H34 |
A2B3C18D34 |
-189.87 |
2.17 |
-9.03 |
1.02 |
0 |
|
|
277034 |
103826376 |
1 |
N2O2C17H32 |
A2B2C17D32 |
-131.78 |
2.46 |
-9.03 |
1.09 |
0 |
|
|
277035 |
103826379 |
2 |
NOC8H14 |
ABC8D14 |
-95.07 |
5.24 |
-8.94 |
1.15 |
0 |
|
|
277036 |
103826382 |
1 |
BrClN2O2C14H18 |
ABC2D2E14F18 |
-70.55 |
2.98 |
-8.93 |
-0.96 |
0 |
|
|
277037 |
103826384 |
1 |
BrClNO3C11H11 |
ABCD3E11F11 |
-116.11 |
2.46 |
-10.09 |
-1.09 |
0 |
|
|
277038 |
103826385 |
1 |
BrClON2C13H18 |
ABCD2E13F18 |
-38.46 |
5.07 |
-9.06 |
-0.73 |
0 |
|
|
277039 |
103826386 |
1 |
BrClNOH13C15 |
ABCDE13F15 |
1.88 |
4.29 |
-9.64 |
-0.73 |
0 |
|
|
277040 |
103826388 |
1 |
BrClON3C15H17 |
ABCD3E15F17 |
-5.26 |
1.08 |
-9.18 |
-1.01 |
0 |
|
|
277041 |
103826394 |
1 |
BrClNO2H11C14 |
ABCD2E11F14 |
-35.87 |
4.69 |
-8.69 |
-0.98 |
0 |
|
|
277042 |
103826397 |
1 |
BrNOCl2H8C13 |
ABCD2E8F13 |
-5.94 |
1.62 |
-9.22 |
-1.13 |
0 |
|
|
277043 |
103826404 |
1 |
BrClNO2C12H15 |
ABCD2E12F15 |
-78.52 |
5.01 |
-9.87 |
-0.88 |
0 |
|
|
277044 |
103826408 |
1 |
BrClN2O2C15H18 |
ABC2D2E15F18 |
-78.17 |
5.06 |
-9.41 |
-1.01 |
0 |
|
|
277045 |
103826409 |
1 |
BrClNO3C14H15 |
ABCD3E14F15 |
-120.53 |
4.44 |
-9.74 |
-0.86 |
0 |
|
|
277046 |
103826429 |
1 |
BrClN2O2C14H16 |
ABC2D2E14F16 |
-67.9 |
5.4 |
-9.49 |
-1.03 |
0 |
|
|
277047 |
103826440 |
1 |
BrClNOF3H12C13 |
ABCDE3F12G13 |
-197.57 |
4.86 |
-10.06 |
-1.02 |
0 |
|
|
277048 |
103826441 |
1 |
BrClOSN3H13C14 |
ABCDE3F13G14 |
18.11 |
2.32 |
-8.99 |
-0.97 |
0 |
|
|
277049 |
103826444 |
1 |
BrClNO3C11H11 |
ABCD3E11F11 |
-107.29 |
4.05 |
-9.91 |
-0.95 |
0 |
|
|
277050 |
103826472 |
1 |
BrClON2H12C16 |
ABCD2E12F16 |
33.92 |
3.25 |
-9.99 |
-0.94 |
0 |
|
|
277051 |
103826491 |
1 |
BrClN2O2C14H16 |
ABC2D2E14F16 |
-74.98 |
3.21 |
-9.6 |
-0.92 |
0 |
|
|
277052 |
103826504 |
1 |
BrClN2O2C14H16 |
ABC2D2E14F16 |
-83.54 |
3.16 |
-9.68 |
-1.01 |
0 |
|
|
277053 |
103826505 |
1 |
BrClNOC11H11 |
ABCDE11F11 |
-11.54 |
3.78 |
-9.99 |
-0.87 |
0 |
|
|
277054 |
103826517 |
1 |
BrClNSO3C12H13 |
ABCDE3F12G13 |
-122.34 |
6.44 |
-9.82 |
-0.85 |
0 |
|
|
277055 |
103826522 |
1 |
BrClNSO3C12H13 |
ABCDE3F12G13 |
-116.53 |
4.06 |
-10.15 |
-1.19 |
0 |
|
|
277056 |
103826528 |
1 |
BrClON3C15H15 |
ABCD3E15F15 |
10.96 |
6.59 |
-9.38 |
-0.87 |
0 |
|
|
277057 |
103826530 |
1 |
BrClN2O2H12C14 |
ABC2D2E12F14 |
-34.46 |
2.93 |
-9.44 |
-1.04 |
0 |
|
|
277058 |
103826531 |
1 |
BrClNO2H15C16 |
ABCD2E15F16 |
-43.24 |
2.58 |
-9.43 |
-0.97 |
0 |
|
|
277059 |
103826539 |
1 |
BrClON3H11C12 |
ABCD3E11F12 |
11.84 |
6.32 |
-9.45 |
-1.23 |
0 |
|
|
277060 |
103826541 |
1 |
BrClON4H10C11 |
ABCD4E10F11 |
24.43 |
3.41 |
-10.15 |
-1.13 |
0 |
|
|
277061 |
103826543 |
1 |
BrClON3C13H13 |
ABCD3E13F13 |
11.95 |
2.31 |
-9.58 |
-1.16 |
0 |
|
|
277062 |
103826549 |
1 |
BrClN2O2C15H22 |
ABC2D2E15F22 |
-72.82 |
5.28 |
-8.97 |
-0.7 |
0 |
|
|
277063 |
103826551 |
1 |
BrClNOC12H13 |
ABCDE12F13 |
-11.42 |
4.07 |
-9.76 |
-0.79 |
0 |
|
|
277064 |
103826552 |
1 |
BrClN2O3H10C14 |
ABC2D3E10F14 |
-8.88 |
8.68 |
-9.61 |
-1.36 |
0 |
|
|
277065 |
103826557 |
1 |
BrClON2H10C13 |
ABCD2E10F13 |
6.54 |
2.02 |
-9.39 |
-1.11 |
0 |
|
|
277066 |
103826566 |
1 |
BrClON2H14C16 |
ABCD2E14F16 |
7.59 |
3.68 |
-9.76 |
-0.88 |
0 |
|
|
277067 |
103826571 |
1 |
BrClNOC12H13 |
ABCDE12F13 |
-26.44 |
3.74 |
-9.98 |
-0.95 |
0 |
|
|
277068 |
103826578 |
1 |
BrClN2O2H10C14 |
ABC2D2E10F14 |
-42.37 |
4.67 |
-9.26 |
-1.21 |
0 |
|
|
277069 |
103826579 |
1 |
BrClON4C14H14 |
ABCD4E14F14 |
30.11 |
3.45 |
-9.92 |
-1.12 |
0 |
|
|
277070 |
103826592 |
1 |
BrClNOC13H17 |
ABCDE13F17 |
-47.36 |
4.48 |
-9.57 |
-0.78 |
0 |
|
|
277071 |
103826593 |
1 |
BrClNOC13H17 |
ABCDE13F17 |
-47.56 |
4.53 |
-9.63 |
-0.78 |
0 |
|
|
277072 |
103826597 |
1 |
BrClON2C15H22 |
ABCD2E15F22 |
-42.07 |
4.65 |
-9.0 |
-0.74 |
0 |
|
|
277073 |
103826608 |
1 |
BrClN2O2C11H12 |
ABC2D2E11F12 |
-81.23 |
6.12 |
-9.73 |
-0.77 |
0 |
|
|
277074 |
103826614 |
1 |
BrClON4C12H12 |
ABCD4E12F12 |
18.52 |
3.92 |
-10.04 |
-0.97 |
0 |