List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
285000 |
104089153 |
1 |
NOCl2C16H21 |
ABC2D16E21 |
-18.18 |
4.41 |
-9.32 |
-0.47 |
0 |
|
|
285001 |
104089583 |
1 |
NSC8H15 |
ABC8D15 |
29.95 |
1.46 |
-8.62 |
0.67 |
0 |
|
|
285002 |
104089585 |
1 |
NSC10H19 |
ABC10D19 |
19.04 |
1.97 |
-8.37 |
0.96 |
0 |
|
|
285003 |
104089679 |
1 |
BrClNC11H11 |
ABCD11E11 |
57.5 |
3.32 |
-8.52 |
-0.32 |
0 |
|
|
285004 |
104089789 |
1 |
O3H12C13 |
A3B12C13 |
-52.69 |
4.12 |
-9.45 |
-0.59 |
0 |
|
|
285005 |
104090124 |
1 |
NOC13H17 |
ABC13D17 |
11.05 |
1.24 |
-8.63 |
0.27 |
0 |
|
|
285006 |
104090275 |
1 |
NSO4C11H17 |
ABC4D11E17 |
-147.41 |
7.55 |
-10.0 |
0.23 |
0 |
|
|
285007 |
104090417 |
2 |
NC6H10 |
AB6C10 |
25.32 |
3.32 |
-8.78 |
1.73 |
0 |
|
|
285008 |
104090444 |
1 |
N2C9H16 |
A2B9C16 |
30.7 |
3.16 |
-8.76 |
1.79 |
0 |
|
|
285009 |
104090606 |
1 |
OC15H20 |
AB15C20 |
-3.55 |
1.67 |
-9.24 |
0.33 |
0 |
|
|
285010 |
104090612 |
1 |
O4C15H20 |
A4B15C20 |
-97.67 |
3.46 |
-8.86 |
-0.17 |
0 |
|
|
285011 |
104090614 |
1 |
OC18H18 |
AB18C18 |
38.65 |
1.66 |
-9.25 |
-0.28 |
0 |
|
|
285012 |
104090623 |
1 |
OC13H16 |
AB13C16 |
6.6 |
1.25 |
-9.31 |
0.27 |
0 |
|
|
285013 |
104090668 |
1 |
OC14H18 |
AB14C18 |
2.87 |
1.4 |
-9.38 |
0.36 |
0 |
|
|
285014 |
104090672 |
1 |
OC14H18 |
AB14C18 |
-6.45 |
2.82 |
-9.34 |
0.43 |
0 |
|
|
285015 |
104090691 |
1 |
OC13H22 |
AB13C22 |
-43.88 |
1.89 |
-10.18 |
1.88 |
0 |
|
|
285016 |
104090851 |
1 |
NOC11H19 |
ABC11D19 |
-20.86 |
2.33 |
-8.9 |
1.61 |
0 |
|
|
285017 |
104090863 |
1 |
OF3H11C13 |
AB3C11D13 |
-142.71 |
4.7 |
-10.49 |
-1.04 |
0 |
|
|
285018 |
104090870 |
1 |
NOC11H11 |
ABC11D11 |
42.73 |
2.47 |
-10.29 |
-0.91 |
0 |
|
|
285019 |
104090880 |
1 |
OCl2H12C13 |
AB2C12D13 |
-7.95 |
2.97 |
-9.58 |
-0.61 |
0 |
|
|
285020 |
104090890 |
1 |
ClO3C14H15 |
AB3C14D15 |
-51.94 |
5.66 |
-8.84 |
-0.76 |
0 |
|
|
285021 |
104091016 |
1 |
BrOSC13H13 |
ABCD13E13 |
23.19 |
3.59 |
-9.1 |
-0.85 |
0 |
|
|
285022 |
104091018 |
1 |
BrFOH10C12 |
ABCD10E12 |
-24.52 |
2.28 |
-10.14 |
-1.22 |
0 |
|
|
285023 |
104091068 |
1 |
FO2C13H13 |
AB2C13D13 |
-56.67 |
5.48 |
-9.53 |
-0.42 |
0 |
|
|
285024 |
104091248 |
1 |
O2C9H16 |
A2B9C16 |
-72.92 |
2.31 |
-10.01 |
1.87 |
0 |
|
|
285025 |
104091250 |
1 |
NO2C12H21 |
AB2C12D21 |
-57.33 |
2.28 |
-8.67 |
1.71 |
0 |
|
|
285026 |
104091273 |
1 |
ON3C8H11 |
AB3C8D11 |
40.46 |
2.34 |
-10.48 |
-0.14 |
0 |
|
|
285027 |
104091710 |
1 |
BrNSC13H18 |
ABCD13E18 |
58.9 |
1.23 |
-9.28 |
-0.59 |
0 |
|
|
285028 |
104091711 |
1 |
NOC10H19 |
ABC10D19 |
-32.19 |
2.14 |
-9.4 |
1.77 |
0 |
|
|
285029 |
104091801 |
2 |
N2C5H8 |
A2B5C8 |
72.77 |
4.03 |
-9.66 |
0.15 |
0 |
|
|
285030 |
104091802 |
1 |
N4C11H18 |
A4B11C18 |
79.42 |
2.7 |
-9.6 |
0.18 |
0 |
|
|
285031 |
104091932 |
2 |
NC8H15 |
AB8C15 |
16.51 |
2.11 |
-8.38 |
1.91 |
0 |
|
|
285032 |
104092004 |
1 |
NC13H25 |
AB13C25 |
-8.06 |
2.64 |
-8.77 |
1.97 |
0 |
|
|
285033 |
104092005 |
1 |
NO2C9H17 |
AB2C9D17 |
-60.87 |
2.49 |
-9.59 |
1.72 |
0 |
|
|
285034 |
104092006 |
1 |
NO2C10H19 |
AB2C10D19 |
-60.89 |
0.9 |
-9.08 |
1.67 |
0 |
|
|
285035 |
104092307 |
1 |
NOC11H13 |
ABC11D13 |
18.24 |
4.81 |
-9.36 |
-0.43 |
0 |
|
|
285036 |
104092308 |
1 |
NO2C11H13 |
AB2C11D13 |
-16.69 |
2.97 |
-9.31 |
-0.4 |
0 |
|
|
285037 |
104092427 |
2 |
OC7H8 |
AB7C8 |
-44.52 |
3.4 |
-8.44 |
0.08 |
0 |
|
|
285038 |
104092567 |
1 |
NO3C14H17 |
AB3C14D17 |
-39.39 |
1.7 |
-8.29 |
-0.11 |
0 |
|
|
285039 |
104092610 |
1 |
ClNSO2H12C13 |
ABCD2E12F13 |
-16.13 |
9.43 |
-9.53 |
-0.93 |
0 |
|
|
285040 |
104092708 |
1 |
OSC12H14 |
ABC12D14 |
29.96 |
1.64 |
-8.7 |
-0.18 |
0 |
|
|
285041 |
104092711 |
2 |
BrOC6H6 |
ABC6D6 |
-12.56 |
1.1 |
-8.61 |
-0.63 |
0 |
|
|
285042 |
104092712 |
1 |
NO3C12H13 |
AB3C12D13 |
22.35 |
7.07 |
-9.53 |
-1.12 |
0 |
|
|
285043 |
104092714 |
1 |
N2O2C11H16 |
A2B2C11D16 |
-33.23 |
6.85 |
-9.64 |
0.07 |
0 |
|
|
285044 |
104092725 |
1 |
NO2C14H15 |
AB2C14D15 |
-11.53 |
1.63 |
-8.66 |
-0.3 |
0 |
|
|
285045 |
104092925 |
1 |
ON3C15H19 |
AB3C15D19 |
10.27 |
3.09 |
-9.41 |
-0.48 |
0 |
|
|
285046 |
104092927 |
1 |
ON4C14H14 |
AB4C14D14 |
58.49 |
4.43 |
-9.5 |
-1.27 |
0 |
|
|
285047 |
104093117 |
1 |
O3N4C14H16 |
A3B4C14D16 |
-41.86 |
4.73 |
-9.4 |
-0.67 |
0 |
|
|
285048 |
104093123 |
1 |
SO2N4C14H18 |
AB2C4D14E18 |
-11.16 |
4.87 |
-9.36 |
-0.49 |
0 |
|
|
285049 |
104093182 |
1 |
ON3C16H23 |
AB3C16D23 |
0.08 |
5.83 |
-9.54 |
-0.1 |
0 |