List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
269100 |
103613281 |
1 |
BrClN2O2H8C11 |
ABC2D2E8F11 |
-4.98 |
6.47 |
-9.4 |
-1.39 |
0 |
|
|
269101 |
103613315 |
1 |
BrNO2C15H22 |
ABC2D15E22 |
-98.61 |
4.12 |
-9.12 |
-0.72 |
0 |
|
|
269102 |
103613316 |
1 |
INO2C15H22 |
ABC2D15E22 |
-84.72 |
4.04 |
-9.09 |
-0.95 |
0 |
|
|
269103 |
103613555 |
1 |
SN2O2H14C16 |
AB2C2D14E16 |
-18.54 |
2.05 |
-8.62 |
-0.92 |
0 |
|
|
269104 |
103613568 |
1 |
SN2O2C13H14 |
AB2C2D13E14 |
-24.97 |
3.19 |
-8.88 |
-0.74 |
0 |
|
|
269105 |
103614011 |
1 |
SN3C11H23 |
AB3C11D23 |
3.6 |
5.65 |
-8.33 |
0.49 |
0 |
|
|
269106 |
103614148 |
1 |
NF3O3C10H10 |
AB3C3D10E10 |
-274.22 |
2.9 |
-9.56 |
-0.8 |
0 |
|
|
269107 |
103614162 |
1 |
ClN2O4C14H19 |
AB2C4D14E19 |
-152.46 |
4.33 |
-9.06 |
-0.52 |
0 |
|
|
269108 |
103614201 |
1 |
ClION4H8C10 |
ABCD4E8F10 |
48.38 |
3.22 |
-9.44 |
-1.25 |
0 |
|
|
269109 |
103614209 |
1 |
ClINSO3H11C14 |
ABCDE3F11G14 |
-63.46 |
2.22 |
-9.31 |
-1.13 |
0 |
|
|
269110 |
103614439 |
1 |
ON2C15H24 |
AB2C15D24 |
-52.61 |
3.86 |
-8.81 |
0.44 |
0 |
|
|
269111 |
103614477 |
1 |
NOBr2F2H13C15 |
ABC2D2E13F15 |
-88.2 |
2.9 |
-9.26 |
-0.69 |
0 |
|
|
269112 |
103614537 |
1 |
ON2C14H24 |
AB2C14D24 |
-39.92 |
3.54 |
-8.67 |
0.29 |
0 |
|
|
269113 |
103614564 |
1 |
BrN2O2C15H23 |
AB2C2D15E23 |
-54.93 |
1.78 |
-8.47 |
-0.45 |
0 |
|
|
269114 |
103614567 |
1 |
BrN2O2C15H23 |
AB2C2D15E23 |
-54.19 |
3.36 |
-8.69 |
-0.33 |
0 |
|
|
269115 |
103614613 |
1 |
N2C19H32 |
A2B19C32 |
-9.06 |
2.57 |
-8.53 |
0.6 |
0 |
|
|
269116 |
103614615 |
1 |
N2C17H36 |
A2B17C36 |
-55.37 |
2.02 |
-8.45 |
2.82 |
0 |
|
|
269117 |
103614643 |
1 |
SBr2N2O3C13H18 |
AB2C2D3E13F18 |
-109.45 |
4.64 |
-9.31 |
-0.64 |
0 |
|
|
269118 |
103614644 |
1 |
Br2N2O2C13H16 |
A2B2C2D13E16 |
-60.7 |
3.17 |
-9.34 |
-0.72 |
0 |
|
|
269119 |
103614647 |
1 |
NOBr2C11H13 |
ABC2D11E13 |
-2.55 |
3.47 |
-9.22 |
-0.55 |
0 |
|
|
269120 |
103614762 |
1 |
BrOSN2C14H17 |
ABCD2E14F17 |
7.19 |
2.27 |
-8.73 |
-0.38 |
0 |
|
|
269121 |
103614779 |
1 |
BrSN2O2C15H19 |
ABC2D2E15F19 |
-26.23 |
3.54 |
-8.84 |
-0.43 |
0 |
|
|
269122 |
103614796 |
2 |
NSC6H8 |
ABC6D8 |
41.11 |
0.98 |
-8.82 |
-0.31 |
0 |
|
|
269123 |
103614900 |
1 |
ON3C13H27 |
AB3C13D27 |
-82.37 |
4.13 |
-8.72 |
1.48 |
0 |
|
|
269124 |
103614910 |
1 |
O2N5C11H13 |
A2B5C11D13 |
-4.27 |
1.44 |
-9.56 |
-1.38 |
0 |
|
|
269125 |
103614911 |
1 |
IO2N3C13H14 |
AB2C3D13E14 |
-16.96 |
2.31 |
-9.35 |
-1.17 |
0 |
|
|
269126 |
103615086 |
1 |
INOC16H24 |
ABCD16E24 |
-52.01 |
4.23 |
-9.5 |
-1.01 |
0 |
|
|
269127 |
103615133 |
1 |
INOC15H20 |
ABCD15E20 |
-38.22 |
4.24 |
-9.47 |
-1.03 |
0 |
|
|
269128 |
103615265 |
1 |
INO2C8H8 |
ABC2D8E8 |
-16.62 |
4.24 |
-9.62 |
-1.25 |
0 |
|
|
269129 |
103615298 |
1 |
ClION2C13H16 |
ABCD2E13F16 |
-16.53 |
4.27 |
-9.05 |
-1.3 |
0 |
|
|
269130 |
103615349 |
1 |
ClINOC13H15 |
ABCDE13F15 |
-21.93 |
4.01 |
-9.5 |
-1.3 |
0 |
|
|
269131 |
103615376 |
1 |
FION3H7C11 |
ABCD3E7F11 |
6.51 |
2.73 |
-9.76 |
-1.53 |
0 |
|
|
269132 |
103615523 |
1 |
ClINO3C11H11 |
ABCD3E11F11 |
-93.6 |
4.49 |
-9.69 |
-1.39 |
0 |
|
|
269133 |
103615727 |
1 |
FION2C16H18 |
ABCD2E16F18 |
-39.43 |
0.85 |
-10.04 |
-1.56 |
0 |
|
|
269134 |
103615840 |
1 |
FNO2C16H18 |
ABC2D16E18 |
-76.83 |
0.6 |
-8.92 |
-0.22 |
0 |
|
|
269135 |
103615860 |
1 |
NO2C13H15 |
AB2C13D15 |
-19.01 |
1.79 |
-8.86 |
0.29 |
0 |
|
|
269136 |
103616011 |
1 |
FON2C16H17 |
ABC2D16E17 |
-47.9 |
4.78 |
-9.12 |
-0.07 |
0 |
|
|
269137 |
103616037 |
1 |
NC16H25 |
AB16C25 |
-9.84 |
1.24 |
-8.89 |
0.27 |
0 |
|
|
269138 |
103616079 |
1 |
SN3O3C10H21 |
AB3C3D10E21 |
-121.17 |
7.13 |
-9.37 |
0.6 |
0 |
|
|
269139 |
103616080 |
1 |
SN3O3C9H21 |
AB3C3D9E21 |
-153.07 |
1.2 |
-9.06 |
0.65 |
0 |
|
|
269140 |
103616083 |
1 |
SN3O4C10H21 |
AB3C4D10E21 |
-177.51 |
6.3 |
-9.0 |
0.28 |
0 |
|
|
269141 |
103616084 |
1 |
ClSN2O3C12H19 |
ABC2D3E12F19 |
-113.74 |
5.57 |
-8.95 |
-0.2 |
0 |
|
|
269142 |
103616086 |
1 |
S2O3N4C12H22 |
A2B3C4D12E22 |
-108.76 |
3.51 |
-9.04 |
-0.61 |
0 |
|
|
269143 |
103616087 |
1 |
SN2O3C9H22 |
AB2C3D9E22 |
-150.07 |
4.51 |
-9.12 |
0.65 |
0 |
|
|
269144 |
103616095 |
1 |
SN3O3C9H19 |
AB3C3D9E19 |
-116.38 |
5.91 |
-9.6 |
0.38 |
0 |
|
|
269145 |
103616097 |
1 |
SN3O3C11H25 |
AB3C3D11E25 |
-159.55 |
5.3 |
-9.66 |
0.38 |
0 |
|
|
269146 |
103616101 |
1 |
SN3O3C12H25 |
AB3C3D12E25 |
-147.04 |
3.38 |
-8.89 |
0.53 |
0 |
|
|
269147 |
103616102 |
1 |
SN2O3C7H18 |
AB2C3D7E18 |
-135.15 |
5.21 |
-9.2 |
0.66 |
0 |
|
|
269148 |
103616103 |
1 |
S2N3O3C13H21 |
A2B3C3D13E21 |
-107.38 |
2.77 |
-8.97 |
-0.14 |
0 |
|
|
269149 |
103616104 |
1 |
SN2O4C6H14 |
AB2C4D6E14 |
-176.08 |
3.46 |
-10.2 |
0.24 |
0 |