List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
249625 |
103090959 |
2 |
O2C6H7 |
A2B6C7 |
-143.07 |
3.59 |
-9.17 |
-0.5 |
0 |
|
|
249626 |
103090960 |
1 |
NO2H13C14 |
AB2C13D14 |
-11.11 |
3.91 |
-8.77 |
-0.97 |
0 |
|
|
249627 |
103090970 |
1 |
OC12H20 |
AB12C20 |
-68.02 |
3.27 |
-9.82 |
0.54 |
0 |
|
|
249628 |
103090974 |
1 |
OSC13H18 |
ABC13D18 |
-35.63 |
3.37 |
-9.06 |
-0.25 |
0 |
|
|
249629 |
103090979 |
1 |
ON2C14H14 |
AB2C14D14 |
35.39 |
2.53 |
-8.95 |
-0.6 |
0 |
|
|
249630 |
103090981 |
2 |
O2C7H9 |
A2B7C9 |
-125.27 |
2.03 |
-8.71 |
0.1 |
0 |
|
|
249631 |
103090984 |
1 |
NO3C14H17 |
AB3C14D17 |
-37.43 |
3.61 |
-9.74 |
-1.15 |
0 |
|
|
249632 |
103090994 |
1 |
ON2C11H16 |
AB2C11D16 |
-21.37 |
3.45 |
-9.12 |
0.02 |
0 |
|
|
249633 |
103091033 |
1 |
O2C17H18 |
A2B17C18 |
-37.68 |
2.5 |
-8.83 |
0.02 |
0 |
|
|
249634 |
103091044 |
1 |
NOC14H15 |
ABC14D15 |
-0.96 |
2.59 |
-9.28 |
-0.64 |
0 |
|
|
249635 |
103091045 |
1 |
ON3C13H15 |
AB3C13D15 |
38.8 |
3.03 |
-8.85 |
-0.64 |
0 |
|
|
249636 |
103091049 |
2 |
OC7H10 |
AB7C10 |
-81.09 |
0.73 |
-8.6 |
0.26 |
0 |
|
|
249637 |
103091051 |
1 |
O3C15H22 |
A3B15C22 |
-118.75 |
1.76 |
-8.21 |
0.24 |
0 |
|
|
249638 |
103091058 |
1 |
OC10H20 |
AB10C20 |
-77.9 |
2.15 |
-9.52 |
1.15 |
0 |
|
|
249639 |
103091074 |
1 |
BrOC12H15 |
ABC12D15 |
-36.34 |
2.22 |
-9.33 |
-0.07 |
0 |
|
|
249640 |
103091077 |
1 |
ON2C10H16 |
AB2C10D16 |
-18.71 |
3.69 |
-9.48 |
0.45 |
0 |
|
|
249641 |
103091078 |
1 |
BrOSC10H13 |
ABCD10E13 |
-33.16 |
1.08 |
-9.03 |
-0.47 |
0 |
|
|
249642 |
103091079 |
1 |
OCl2C11H12 |
AB2C11D12 |
-44.21 |
2.45 |
-9.53 |
-0.4 |
0 |
|
|
249643 |
103091082 |
2 |
BrOC6H7 |
ABC6D7 |
-57.6 |
2.81 |
-9.12 |
-0.54 |
0 |
|
|
249644 |
103091083 |
1 |
SN2O2C13H20 |
AB2C2D13E20 |
-68.69 |
1.65 |
-8.54 |
-0.29 |
0 |
|
|
249645 |
103091104 |
1 |
ON2C12H14 |
AB2C12D14 |
-0.12 |
2.02 |
-8.8 |
-0.24 |
0 |
|
|
249646 |
103091108 |
2 |
OC7H8 |
AB7C8 |
-53.96 |
2.85 |
-8.63 |
-0.13 |
0 |
|
|
249647 |
103091115 |
1 |
OSC10H14 |
ABC10D14 |
-35.5 |
2.55 |
-8.86 |
-0.06 |
0 |
|
|
249648 |
103091117 |
2 |
OC7H10 |
AB7C10 |
-80.96 |
2.92 |
-8.72 |
0.26 |
0 |
|
|
249649 |
103091142 |
1 |
BrOC12H15 |
ABC12D15 |
-36.66 |
1.18 |
-9.3 |
-0.02 |
0 |
|
|
249650 |
103091147 |
1 |
ClNOC14H14 |
ABCD14E14 |
-9.07 |
1.51 |
-9.22 |
-0.95 |
0 |
|
|
249651 |
103091151 |
1 |
O2C9H12 |
A2B9C12 |
-61.13 |
2.33 |
-8.72 |
-0.02 |
0 |
|
|
249652 |
103091155 |
1 |
NOC19H21 |
ABC19D21 |
-6.37 |
0.86 |
-8.21 |
-0.31 |
0 |
|
|
249653 |
103091158 |
1 |
NO3C12H15 |
AB3C12D15 |
-44.18 |
3.02 |
-9.5 |
-1.21 |
0 |
|
|
249654 |
103091160 |
1 |
NOC14H15 |
ABC14D15 |
0.35 |
3.02 |
-9.2 |
-0.68 |
0 |
|
|
249655 |
103091167 |
1 |
NO2C14H21 |
AB2C14D21 |
-70.19 |
4.5 |
-7.76 |
0.22 |
0 |
|
|
249656 |
103091168 |
1 |
BrOSC15H15 |
ABCD15E15 |
-1.6 |
2.8 |
-9.05 |
-0.69 |
0 |
|
|
249657 |
103091178 |
1 |
ClOC11H13 |
ABC11D13 |
-38.64 |
2.9 |
-9.32 |
-0.03 |
0 |
|
|
249658 |
103091180 |
1 |
OC14H20 |
AB14C20 |
-47.78 |
2.02 |
-9.03 |
0.43 |
0 |
|
|
249659 |
103091183 |
1 |
OC12H22 |
AB12C22 |
-76.43 |
1.97 |
-9.43 |
1.2 |
0 |
|
|
249660 |
103091186 |
1 |
BrClOC11H12 |
ABCD11E12 |
-36.7 |
2.53 |
-9.53 |
-0.48 |
0 |
|
|
249661 |
103091187 |
1 |
OC14H18 |
AB14C18 |
-16.32 |
2.42 |
-9.1 |
0.42 |
0 |
|
|
249662 |
103091190 |
1 |
BrFOC11H12 |
ABCD11E12 |
-72.6 |
4.21 |
-9.56 |
-0.34 |
0 |
|
|
249663 |
103091191 |
1 |
BrOSC9H11 |
ABCD9E11 |
-21.39 |
3.18 |
-9.18 |
-0.39 |
0 |
|
|
249664 |
103091196 |
1 |
ClO2C12H15 |
AB2C12D15 |
-75.71 |
3.48 |
-9.2 |
-0.23 |
0 |
|
|
249665 |
103091199 |
2 |
OC5H7 |
AB5C7 |
-70.37 |
2.73 |
-8.55 |
0.12 |
0 |
|
|
249666 |
103091201 |
1 |
O3C13H18 |
A3B13C18 |
-113.61 |
3.35 |
-8.91 |
0.32 |
0 |
|
|
249667 |
103091205 |
1 |
O2C13H18 |
A2B13C18 |
-76.62 |
1.01 |
-8.44 |
0.38 |
0 |
|
|
249668 |
103091210 |
1 |
ON2C11H18 |
AB2C11D18 |
-28.36 |
1.7 |
-8.77 |
0.75 |
0 |
|
|
249669 |
103091224 |
1 |
O3C13H18 |
A3B13C18 |
-109.49 |
4.97 |
-8.5 |
0.28 |
0 |
|
|
249670 |
103091230 |
1 |
OC12H22 |
AB12C22 |
-80.33 |
2.27 |
-9.48 |
1.15 |
0 |
|
|
249671 |
103091234 |
1 |
NOC13H21 |
ABC13D21 |
-53.64 |
2.69 |
-8.18 |
1.3 |
0 |
|
|
249672 |
103091237 |
1 |
O3C15H20 |
A3B15C20 |
-114.67 |
3.04 |
-8.49 |
0.13 |
0 |
|
|
249673 |
103091253 |
1 |
Br2O2C13H16 |
A2B2C13D16 |
-67.39 |
3.1 |
-9.38 |
-0.55 |
0 |
|
|
249674 |
103091280 |
1 |
FNO3C11H12 |
ABC3D11E12 |
-77.94 |
8.02 |
-9.88 |
-1.47 |
0 |
|
|
249675 |
103091300 |
1 |
FOC12H15 |
ABC12D15 |
-85.13 |
1.77 |
-9.37 |
0.05 |
0 |
|
|
249676 |
103091304 |
1 |
ClFOC11H12 |
ABCD11E12 |
-85.27 |
4.13 |
-9.45 |
-0.31 |
0 |
|
|
249677 |
103091312 |
2 |
O2C7H10 |
A2B7C10 |
-136.83 |
3.29 |
-8.6 |
0.15 |
0 |
|
|
249678 |
103091316 |
1 |
ON2C10H14 |
AB2C10D14 |
-18.46 |
1.47 |
-9.77 |
-0.45 |
0 |
|
|
249679 |
103091321 |
1 |
N2O2C11H18 |
A2B2C11D18 |
-55.44 |
4.54 |
-9.06 |
0.57 |
0 |
|
|
249680 |
103091323 |
1 |
ON2C9H14 |
AB2C9D14 |
-11.32 |
4.07 |
-9.42 |
0.42 |
0 |
|
|
249681 |
103091324 |
1 |
ClNSF2O5C11H12 |
ABCD2E5F11G12 |
-286.94 |
3.1 |
-10.42 |
-1.77 |
0 |
|
|
249682 |
103091352 |
1 |
NS2O5C12H17 |
AB2C5D12E17 |
-190.84 |
4.29 |
-9.9 |
-1.38 |
0 |
|
|
249683 |
103091353 |
1 |
BrNS2O5C11H14 |
ABC2D5E11F14 |
-174.7 |
7.96 |
-9.65 |
-1.78 |
0 |
|
|
249684 |
103091356 |
1 |
FNSO5C13H16 |
ABCD5E13F16 |
-235.13 |
4.97 |
-9.96 |
-1.41 |
0 |
|
|
249685 |
103091358 |
1 |
SN2O5C11H16 |
AB2C5D11E16 |
-191.76 |
4.4 |
-9.92 |
-0.87 |
0 |
|
|
249686 |
103091361 |
1 |
NSO5C13H17 |
ABC5D13E17 |
-188.46 |
1.86 |
-10.0 |
-1.28 |
0 |
|
|
249687 |
103091367 |
1 |
NS2O5C12H17 |
AB2C5D12E17 |
-191.7 |
5.47 |
-9.73 |
-1.72 |
0 |
|
|
249688 |
103091371 |
1 |
NS2O5C11H15 |
AB2C5D11E15 |
-180.36 |
4.76 |
-9.96 |
-1.58 |
0 |
|
|
249689 |
103091372 |
1 |
SN2O5C13H20 |
AB2C5D13E20 |
-201.03 |
6.48 |
-9.93 |
-0.72 |
0 |
|
|
249690 |
103091386 |
1 |
ClN2O3C13H17 |
AB2C3D13E17 |
-97.86 |
5.99 |
-9.23 |
-0.81 |
0 |
|
|
249691 |
103091392 |
1 |
N2O2C13H16 |
A2B2C13D16 |
-10.99 |
1.95 |
-8.96 |
-0.46 |
0 |
|
|
249692 |
103091395 |
1 |
NO2C13H19 |
AB2C13D19 |
-53.35 |
3.37 |
-8.25 |
0.04 |
0 |
|
|
249693 |
103091401 |
1 |
N3C10H17 |
A3B10C17 |
27.29 |
1.4 |
-8.44 |
0.58 |
0 |
|
|
249694 |
103091406 |
2 |
NC7H10 |
AB7C10 |
19.94 |
4.02 |
-7.92 |
0.21 |
0 |
|
|
249695 |
103091411 |
1 |
ClNOC10H12 |
ABCD10E12 |
-26.08 |
0.74 |
-8.96 |
-0.44 |
0 |
|
|
249696 |
103091415 |
2 |
NOC5H6 |
ABC5D6 |
23.74 |
5.5 |
-9.61 |
-1.38 |
0 |
|
|
249697 |
103091418 |
1 |
N3C10H17 |
A3B10C17 |
25.71 |
4.82 |
-8.71 |
0.08 |
0 |
|
|
249698 |
103091425 |
1 |
ON2C12H14 |
AB2C12D14 |
20.07 |
4.81 |
-9.05 |
-0.73 |
0 |
|
|
249699 |
103091429 |
1 |
BrNO2C11H12 |
ABC2D11E12 |
-32.06 |
1.04 |
-8.9 |
-0.65 |
0 |