List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
256975 |
103142844 |
1 |
NO2C14H17 |
AB2C14D17 |
-48.71 |
3.0 |
-9.15 |
-0.72 |
0 |
|
|
256976 |
103142848 |
1 |
N3O3C15H17 |
A3B3C15D17 |
-9.41 |
6.24 |
-9.49 |
-1.63 |
0 |
|
|
256977 |
103142858 |
1 |
FOCl2C15H19 |
ABC2D15E19 |
-107.26 |
3.16 |
-9.52 |
-0.1 |
0 |
|
|
256978 |
103142872 |
1 |
NOF3C16H16 |
ABC3D16E16 |
-179.74 |
2.63 |
-9.26 |
-0.81 |
0 |
|
|
256979 |
103142875 |
1 |
OBr2C10H18 |
AB2C10D18 |
-84.07 |
4.71 |
-9.86 |
-0.02 |
0 |
|
|
256980 |
103142877 |
1 |
ClNO2H14C17 |
ABC2D14E17 |
-19.07 |
5.32 |
-9.0 |
-1.01 |
0 |
|
|
256981 |
103142885 |
1 |
N3O3C14H15 |
A3B3C14D15 |
6.51 |
8.22 |
-9.57 |
-1.55 |
0 |
|
|
256982 |
103142887 |
1 |
ON2C18H24 |
AB2C18D24 |
-12.83 |
4.99 |
-8.81 |
-0.61 |
0 |
|
|
256983 |
103142888 |
1 |
N3O3C13H13 |
A3B3C13D13 |
8.07 |
7.59 |
-9.63 |
-1.61 |
0 |
|
|
256984 |
103142895 |
1 |
NOC17H21 |
ABC17D21 |
-25.09 |
4.49 |
-9.03 |
-0.58 |
0 |
|
|
256985 |
103142908 |
1 |
NOC19H19 |
ABC19D19 |
15.19 |
3.72 |
-9.04 |
-0.6 |
0 |
|
|
256986 |
103142909 |
1 |
N3O4C14H15 |
A3B4C14D15 |
-35.22 |
9.26 |
-9.55 |
-1.53 |
0 |
|
|
256987 |
103142913 |
1 |
NO2H17C18 |
AB2C17D18 |
-13.74 |
4.87 |
-9.29 |
-0.88 |
0 |
|
|
256988 |
103142915 |
1 |
N3O3C15H17 |
A3B3C15D17 |
-6.5 |
6.44 |
-9.48 |
-1.63 |
0 |
|
|
256989 |
103142923 |
1 |
ON2C12H12 |
AB2C12D12 |
24.03 |
2.22 |
-9.24 |
-0.8 |
0 |
|
|
256990 |
103142946 |
3 |
NOC5H5 |
ABC5D5 |
10.23 |
9.13 |
-8.95 |
-1.41 |
0 |
|
|
256991 |
103142957 |
1 |
NO2C17H21 |
AB2C17D21 |
-69.54 |
3.43 |
-9.18 |
-0.74 |
0 |
|
|
256992 |
103142961 |
1 |
NOC14H25 |
ABC14D25 |
-66.28 |
3.78 |
-9.02 |
2.33 |
0 |
|
|
256993 |
103142962 |
1 |
NOSC14H15 |
ABCD14E15 |
-10.38 |
3.55 |
-8.99 |
-0.82 |
0 |
|
|
256994 |
103142972 |
1 |
ON4C10H18 |
AB4C10D18 |
-13.2 |
3.89 |
-8.82 |
0.34 |
0 |
|
|
256995 |
103142974 |
1 |
ON4C11H20 |
AB4C11D20 |
-18.73 |
4.72 |
-8.85 |
0.42 |
0 |
|
|
256996 |
103142983 |
1 |
NO2C15H19 |
AB2C15D19 |
-51.99 |
3.1 |
-9.06 |
-0.65 |
0 |
|
|
256997 |
103143001 |
1 |
BrClNOH11C16 |
ABCDE11F16 |
22.75 |
1.75 |
-9.23 |
-0.89 |
0 |
|
|
256998 |
103143002 |
1 |
IN2O3C11H15 |
AB2C3D11E15 |
-113.18 |
2.51 |
-9.34 |
-1.28 |
0 |
|
|
256999 |
103143003 |
1 |
ON2C16H20 |
AB2C16D20 |
-10.09 |
3.07 |
-8.96 |
-0.64 |
0 |
|
|
257000 |
103143004 |
2 |
ON2H6C7 |
AB2C6D7 |
78.69 |
6.16 |
-9.59 |
-2.0 |
0 |
|
|
257001 |
103143005 |
1 |
INO3C14H16 |
ABC3D14E16 |
-90.7 |
3.42 |
-8.91 |
-1.11 |
0 |
|
|
257002 |
103143006 |
1 |
ON2C17H20 |
AB2C17D20 |
-4.3 |
3.72 |
-8.88 |
-0.61 |
0 |
|
|
257003 |
103143007 |
1 |
ClION2C9H12 |
ABCD2E9F12 |
-0.71 |
5.36 |
-9.16 |
-0.99 |
0 |
|
|
257004 |
103143008 |
1 |
NOSC18H19 |
ABCD18E19 |
7.68 |
3.81 |
-9.16 |
-0.9 |
0 |
|
|
257005 |
103143009 |
2 |
ON2H4C6 |
AB2C4D6 |
89.88 |
2.2 |
-10.0 |
-2.32 |
0 |
|
|
257006 |
103143018 |
1 |
NO3H13C14 |
AB3C13D14 |
-75.85 |
4.03 |
-9.33 |
-0.9 |
0 |
|
|
257007 |
103143030 |
1 |
ION2C15H17 |
ABC2D15E17 |
14.65 |
5.99 |
-9.04 |
-0.85 |
0 |
|
|
257008 |
103143031 |
1 |
INO3C13H14 |
ABC3D13E14 |
-87.26 |
5.38 |
-9.07 |
-1.06 |
0 |
|
|
257009 |
103143033 |
1 |
INSO4C13H14 |
ABCD4E13F14 |
-125.76 |
3.64 |
-9.68 |
-1.68 |
0 |
|
|
257010 |
103143038 |
1 |
ION2C15H17 |
ABC2D15E17 |
22.28 |
3.82 |
-9.06 |
-0.81 |
0 |
|
|
257011 |
103143042 |
1 |
IN2O3C13H19 |
AB2C3D13E19 |
-126.55 |
4.33 |
-9.46 |
-1.39 |
0 |
|
|
257012 |
103143043 |
1 |
NOF2H13C17 |
ABC2D13E17 |
-75.38 |
3.28 |
-9.38 |
-0.96 |
0 |
|
|
257013 |
103143045 |
1 |
NOF2H13C17 |
ABC2D13E17 |
-75.06 |
1.14 |
-9.41 |
-0.99 |
0 |
|
|
257014 |
103143046 |
1 |
ON3H13C15 |
AB3C13D15 |
39.45 |
3.66 |
-9.36 |
-0.97 |
0 |
|
|
257015 |
103143057 |
1 |
NOC11H19 |
ABC11D19 |
-56.85 |
1.62 |
-9.1 |
1.03 |
0 |
|
|
257016 |
103143059 |
1 |
NOC12H21 |
ABC12D21 |
-65.57 |
2.01 |
-9.3 |
1.16 |
0 |
|
|
257017 |
103143077 |
1 |
ON2C16H18 |
AB2C16D18 |
-2.77 |
4.92 |
-9.06 |
-0.74 |
0 |
|
|
257018 |
103143099 |
1 |
ON2H16C18 |
AB2C16D18 |
28.08 |
3.36 |
-8.45 |
-0.85 |
0 |
|
|
257019 |
103143108 |
2 |
NOC8H10 |
ABC8D10 |
-49.05 |
3.83 |
-9.21 |
-0.8 |
0 |
|
|
257020 |
103143109 |
1 |
NSO2F3C13H16 |
ABC2D3E13F16 |
-228.55 |
4.08 |
-8.71 |
-0.76 |
0 |
|
|
257021 |
103143116 |
1 |
NSO3C12H17 |
ABC3D12E17 |
-118.64 |
4.88 |
-8.96 |
-0.52 |
0 |
|
|
257022 |
103143122 |
1 |
ON2C17H20 |
AB2C17D20 |
14.58 |
2.77 |
-9.12 |
-0.7 |
0 |
|
|
257023 |
103143124 |
1 |
NSO3C13H19 |
ABC3D13E19 |
-135.47 |
6.23 |
-9.14 |
-0.13 |
0 |
|
|
257024 |
103143127 |
1 |
NOF3C15H16 |
ABC3D15E16 |
-183.97 |
2.7 |
-9.22 |
-0.77 |
0 |
|
|
257025 |
103143131 |
1 |
BrNSO3C12H16 |
ABCD3E12F16 |
-124.9 |
2.73 |
-9.27 |
-0.73 |
0 |
|
|
257026 |
103143132 |
1 |
ClNSO2C12H16 |
ABCD2E12F16 |
-74.45 |
1.0 |
-8.46 |
-0.3 |
0 |
|
|
257027 |
103143133 |
1 |
ON2C16H20 |
AB2C16D20 |
-14.16 |
4.11 |
-9.14 |
-0.7 |
0 |
|
|
257028 |
103143137 |
1 |
ClNSO3C12H16 |
ABCD3E12F16 |
-129.45 |
6.87 |
-9.39 |
-0.5 |
0 |
|
|
257029 |
103143138 |
1 |
ON3C16H17 |
AB3C16D17 |
34.69 |
2.55 |
-9.31 |
-0.87 |
0 |
|
|
257030 |
103143139 |
1 |
NOC17H21 |
ABC17D21 |
-24.42 |
4.26 |
-9.01 |
-0.57 |
0 |
|
|
257031 |
103143141 |
1 |
FNSO2C12H16 |
ABCD2E12F16 |
-110.82 |
1.71 |
-8.6 |
-0.29 |
0 |
|
|
257032 |
103143158 |
1 |
NSO2C9H19 |
ABC2D9E19 |
-92.15 |
4.37 |
-8.4 |
0.83 |
0 |
|
|
257033 |
103143167 |
1 |
NSO3C9H19 |
ABC3D9E19 |
-158.56 |
6.54 |
-9.56 |
1.09 |
0 |
|
|
257034 |
103143172 |
1 |
N2C19H26 |
A2B19C26 |
20.35 |
4.06 |
-8.94 |
-0.5 |
0 |
|
|
257035 |
103143176 |
1 |
NSO2C10H21 |
ABC2D10E21 |
-99.6 |
3.62 |
-8.4 |
0.8 |
0 |
|
|
257036 |
103143183 |
1 |
NSO4C13H19 |
ABC4D13E19 |
-163.42 |
3.29 |
-8.46 |
-0.54 |
0 |
|
|
257037 |
103143192 |
1 |
NSO3C10H21 |
ABC3D10E21 |
-157.87 |
3.49 |
-9.66 |
1.02 |
0 |
|
|
257038 |
103143201 |
1 |
N2H16C17 |
A2B16C17 |
74.17 |
3.93 |
-8.96 |
-0.57 |
0 |
|
|
257039 |
103143211 |
1 |
FN2H15C17 |
AB2C15D17 |
26.18 |
1.72 |
-9.11 |
-0.69 |
0 |
|
|
257040 |
103143220 |
1 |
BrN2H15C17 |
AB2C15D17 |
73.23 |
4.08 |
-9.15 |
-0.7 |
0 |
|
|
257041 |
103143225 |
1 |
ON2C18H18 |
AB2C18D18 |
30.83 |
3.11 |
-8.72 |
-0.55 |
0 |
|
|
257042 |
103143239 |
1 |
N2C19H20 |
A2B19C20 |
53.55 |
5.16 |
-8.93 |
-0.51 |
0 |
|
|
257043 |
103143259 |
1 |
N2F3C16H17 |
A2B3C16D17 |
-129.7 |
2.3 |
-9.37 |
-0.98 |
0 |
|
|
257044 |
103143269 |
1 |
F2N2H14C17 |
A2B2C14D17 |
-24.86 |
5.26 |
-9.25 |
-0.8 |
0 |
|
|
257045 |
103143271 |
1 |
BrClN2H14C17 |
ABC2D14E17 |
65.46 |
4.56 |
-9.12 |
-0.73 |
0 |
|
|
257046 |
103143274 |
1 |
FN2H17C18 |
AB2C17D18 |
23.5 |
2.31 |
-8.96 |
-0.57 |
0 |
|
|
257047 |
103143301 |
1 |
NOSC15H17 |
ABCD15E17 |
-2.23 |
4.8 |
-8.69 |
-1.14 |
0 |
|
|
257048 |
103143316 |
1 |
BrNOSH12C17 |
ABCDE12F17 |
47.72 |
5.71 |
-8.72 |
-1.37 |
0 |
|
|
257049 |
103143317 |
1 |
FNOSH12C17 |
ABCDE12F17 |
-1.87 |
6.99 |
-8.87 |
-1.29 |
0 |