List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
143034 |
53136101 |
1 |
FSO2N5C21H24 |
ABC2D5E21F24 |
-52.28 |
5.33 |
-8.85 |
-1.03 |
0 |
|
|
143035 |
53136294 |
1 |
SN4O4H16C17 |
AB4C4D16E17 |
-90.05 |
5.53 |
-9.17 |
-1.7 |
0 |
|
|
143036 |
53136321 |
1 |
SO3N4C18H20 |
AB3C4D18E20 |
-68.9 |
6.05 |
-9.04 |
-1.53 |
0 |
|
|
143037 |
53136322 |
1 |
SO3N4C17H18 |
AB3C4D17E18 |
-57.96 |
4.71 |
-9.11 |
-1.54 |
0 |
|
|
143038 |
53137002 |
1 |
ClO2N4C19H19 |
AB2C4D19E19 |
-19.67 |
5.58 |
-8.72 |
-1.1 |
0 |
|
|
143039 |
53137167 |
1 |
ClFO3N4H12C16 |
ABC3D4E12F16 |
-73.31 |
4.13 |
-9.3 |
-1.44 |
0 |
|
|
143040 |
53137378 |
1 |
ON4C21H22 |
AB4C21D22 |
20.76 |
7.8 |
-8.78 |
-0.6 |
0 |
|
|
143041 |
53137923 |
1 |
N3O4H21C22 |
A3B4C21D22 |
-97.8 |
3.68 |
-8.58 |
-1.01 |
0 |
|
|
143042 |
53137968 |
1 |
N3O4C24H25 |
A3B4C24D25 |
-92.51 |
5.83 |
-8.62 |
-0.96 |
0 |
|
|
143043 |
53138157 |
1 |
ClFO2N3C22H25 |
ABC2D3E22F25 |
-116.27 |
3.52 |
-8.75 |
-0.56 |
0 |
|
|
143044 |
53138232 |
1 |
O2N4C17H18 |
A2B4C17D18 |
9.98 |
3.73 |
-8.63 |
-0.57 |
0 |
|
|
143045 |
53138233 |
1 |
O3N4H16C17 |
A3B4C16D17 |
-9.66 |
2.66 |
-8.94 |
-0.66 |
0 |
|
|
143046 |
53139037 |
1 |
N4O5C22H22 |
A4B5C22D22 |
-81.17 |
7.36 |
-8.85 |
-1.13 |
0 |
|
|
143047 |
53139214 |
1 |
O3N4H10C15 |
A3B4C10D15 |
21.31 |
5.24 |
-9.19 |
-1.5 |
0 |
|
|
143048 |
53139242 |
1 |
N4O4C17H18 |
A4B4C17D18 |
-76.0 |
5.99 |
-9.25 |
-1.21 |
0 |
|
|
143049 |
53139512 |
1 |
FSO3N4C26H31 |
ABC3D4E26F31 |
-117.2 |
4.34 |
-9.16 |
-0.78 |
0 |
|
|
143050 |
53139703 |
1 |
SO2N5C22H27 |
AB2C5D22E27 |
-6.31 |
4.74 |
-8.52 |
-0.4 |
0 |
|
|
143051 |
53139704 |
1 |
SO2N4C20H30 |
AB2C4D20E30 |
-53.51 |
4.45 |
-8.53 |
-0.3 |
0 |
|
|
143052 |
53140231 |
1 |
N2O3C19H20 |
A2B3C19D20 |
-46.41 |
5.84 |
-8.35 |
-0.11 |
0 |
|
|
143053 |
53140232 |
1 |
N2O3C17H22 |
A2B3C17D22 |
-89.05 |
4.6 |
-8.31 |
-0.05 |
0 |
|
|
143054 |
53140532 |
1 |
O2N3C22H25 |
A2B3C22D25 |
-23.0 |
5.21 |
-8.33 |
-0.05 |
0 |
|
|
143055 |
53140533 |
1 |
N3O3C19H27 |
A3B3C19D27 |
-97.05 |
6.05 |
-8.17 |
0.12 |
0 |
|
|
143056 |
53140534 |
1 |
N3O3C20H27 |
A3B3C20D27 |
-99.6 |
4.38 |
-8.25 |
0.03 |
0 |
|
|
143057 |
53140684 |
1 |
FSO2N3H14C16 |
ABC2D3E14F16 |
-46.52 |
1.99 |
-9.05 |
-1.15 |
0 |
|
|
143058 |
53140685 |
1 |
SO2N4H14C17 |
AB2C4D14E17 |
27.01 |
9.24 |
-8.64 |
-0.98 |
0 |
|
|
143059 |
53140725 |
1 |
FSO2N3H14C16 |
ABC2D3E14F16 |
-40.79 |
5.03 |
-8.79 |
-1.13 |
0 |
|
|
143060 |
53140801 |
1 |
SO2N3C17H17 |
AB2C3D17E17 |
0.18 |
2.84 |
-8.89 |
-1.09 |
0 |
|
|
143061 |
53140860 |
1 |
FSO2N3H16C18 |
ABC2D3E16F18 |
-23.02 |
4.28 |
-8.99 |
-1.19 |
0 |
|
|
143062 |
53141052 |
1 |
ClN3O3H14C18 |
AB3C3D14E18 |
10.23 |
3.42 |
-9.08 |
-1.04 |
0 |
|
|
143063 |
53141691 |
1 |
SN2O7H16C20 |
AB2C7D16E20 |
-234.27 |
5.97 |
-9.15 |
-1.41 |
0 |
|
|
143064 |
53141979 |
1 |
ClSO2F3N5H15C21 |
ABC2D3E5F15G21 |
-125.53 |
7.4 |
-9.03 |
-1.43 |
0 |
|
|
143065 |
53142054 |
1 |
SO2N5C19H23 |
AB2C5D19E23 |
-4.61 |
5.63 |
-8.86 |
-1.25 |
0 |
|
|
143066 |
53142247 |
1 |
ClSO2N5C25H28 |
ABC2D5E25F28 |
-12.47 |
9.18 |
-8.57 |
-0.64 |
0 |
|
|
143067 |
53142248 |
1 |
ClSO2N4C25H27 |
ABC2D4E25F27 |
-14.26 |
5.39 |
-8.51 |
-0.21 |
0 |
|
|
143068 |
53142249 |
1 |
ClOSF3N4C18H18 |
ABCD3E4F18G18 |
-162.86 |
2.91 |
-9.13 |
-0.91 |
0 |
|
|
143069 |
53142250 |
1 |
ClOSF3N4H16C17 |
ABCD3E4F16G17 |
-155.08 |
11.02 |
-9.06 |
-0.75 |
0 |
|
|
143070 |
53142251 |
1 |
FOSN5C21H26 |
ABCD5E21F26 |
-26.89 |
6.58 |
-8.86 |
-0.39 |
0 |
|
|
143071 |
53142312 |
1 |
ClOSN4H21C22 |
ABCD4E21F22 |
27.95 |
7.89 |
-8.93 |
-0.56 |
0 |
|
|
143072 |
53142313 |
1 |
ClOSN4H21C22 |
ABCD4E21F22 |
28.22 |
8.61 |
-8.88 |
-0.56 |
0 |
|
|
143073 |
53142474 |
1 |
O2N6C21H24 |
A2B6C21D24 |
5.81 |
5.48 |
-8.41 |
-0.88 |
0 |
|
|
143074 |
53142852 |
1 |
SN4O5C18H22 |
AB4C5D18E22 |
-127.09 |
8.32 |
-8.64 |
-0.24 |
0 |
|
|
143075 |
53143490 |
1 |
BrON4H17C23 |
ABC4D17E23 |
78.78 |
2.95 |
-9.03 |
-1.48 |
0 |
|
|
143076 |
53143491 |
1 |
BrON4H17C23 |
ABC4D17E23 |
81.22 |
4.57 |
-9.03 |
-1.68 |
0 |
|
|
143077 |
53143492 |
1 |
ON4H20C24 |
AB4C20D24 |
75.18 |
3.25 |
-9.0 |
-1.52 |
0 |
|
|
143078 |
53143570 |
1 |
OSN4H20C24 |
ABC4D20E24 |
77.05 |
4.94 |
-8.38 |
-1.54 |
0 |
|
|
143079 |
53143571 |
1 |
ON5C27H31 |
AB5C27D31 |
37.09 |
6.4 |
-8.85 |
-1.16 |
0 |
|
|
143080 |
53143692 |
1 |
OF2N4H14C22 |
AB2C4D14E22 |
-1.33 |
3.8 |
-9.27 |
-1.65 |
0 |
|
|
143081 |
53143802 |
1 |
F2O3N4H14C20 |
A2B3C4D14E20 |
-96.25 |
5.5 |
-9.51 |
-1.85 |
0 |
|
|
143082 |
53143803 |
1 |
ClO3N4H15C20 |
AB3C4D15E20 |
-7.04 |
3.81 |
-9.06 |
-1.73 |
0 |
|
|
143083 |
53143992 |
1 |
FOSN5C16H18 |
ABCD5E16F18 |
-31.37 |
5.19 |
-8.79 |
-0.49 |
0 |
|
|
143084 |
53144042 |
2 |
N2C9H13 |
A2B9C13 |
47.79 |
2.62 |
-8.19 |
-0.16 |
0 |
|
|
143085 |
53144043 |
2 |
N2C9H10 |
A2B9C10 |
87.1 |
2.33 |
-8.77 |
-0.32 |
0 |
|
|
143086 |
53144044 |
1 |
ON3C20H21 |
AB3C20D21 |
33.79 |
5.94 |
-8.53 |
-0.55 |
0 |
|
|
143087 |
53144073 |
1 |
ON3C21H25 |
AB3C21D25 |
30.47 |
4.33 |
-8.66 |
-0.19 |
0 |
|
|
143088 |
53144093 |
1 |
NO2H19C22 |
AB2C19D22 |
-11.35 |
2.62 |
-8.86 |
-0.25 |
0 |
|
|
143089 |
53144644 |
1 |
BrO2N4C19H21 |
AB2C4D19E21 |
-15.91 |
5.78 |
-8.81 |
-0.45 |
0 |
|
|
143090 |
53144645 |
1 |
ClO2N4C19H21 |
AB2C4D19E21 |
-27.01 |
2.79 |
-8.71 |
-0.26 |
0 |
|
|
143091 |
53144826 |
1 |
SO2N3C18H21 |
AB2C3D18E21 |
-16.97 |
4.53 |
-8.65 |
-0.59 |
0 |
|
|
143092 |
53144876 |
1 |
SO2N3C22H29 |
AB2C3D22E29 |
-51.51 |
5.66 |
-8.59 |
-0.24 |
0 |
|
|
143093 |
53144985 |
1 |
ON3C15H21 |
AB3C15D21 |
-25.29 |
3.17 |
-8.69 |
-0.27 |
0 |
|
|
143094 |
53145280 |
1 |
O3N4C17H20 |
A3B4C17D20 |
-87.81 |
2.48 |
-8.78 |
-0.02 |
0 |
|
|
143095 |
53145449 |
1 |
ClON4C22H25 |
ABC4D22E25 |
19.0 |
3.38 |
-8.67 |
-0.63 |
0 |
|
|
143096 |
53145482 |
1 |
SO3N4C22H26 |
AB3C4D22E26 |
-42.62 |
3.77 |
-8.53 |
-1.24 |
0 |
|
|
143097 |
53145483 |
1 |
SO2N4C22H28 |
AB2C4D22E28 |
-15.28 |
5.33 |
-8.29 |
-0.49 |
0 |
|
|
143098 |
53145841 |
1 |
ClFSO2N4H18C20 |
ABCD2E4F18G20 |
-46.59 |
3.2 |
-8.87 |
-1.2 |
0 |
|
|
143099 |
53145842 |
1 |
FSO2N4H19C20 |
ABC2D4E19F20 |
-41.46 |
7.53 |
-8.71 |
-1.23 |
0 |
|
|
143100 |
53145843 |
1 |
FSO2N4H19C20 |
ABC2D4E19F20 |
-37.18 |
5.6 |
-8.69 |
-1.14 |
0 |
|
|
143101 |
53145867 |
2 |
OSN2C10H10 |
ABC2D10E10 |
12.74 |
3.32 |
-8.26 |
-1.22 |
0 |
|
|
143102 |
53145965 |
1 |
ClO2N3C23H26 |
AB2C3D23E26 |
-45.37 |
6.44 |
-8.42 |
-0.18 |
0 |
|
|
143103 |
53146086 |
1 |
ClN3O3C22H24 |
AB3C3D22E24 |
-73.88 |
7.58 |
-8.81 |
-0.38 |
0 |
|
|
143104 |
53146161 |
1 |
ON5C18H27 |
AB5C18D27 |
-13.24 |
3.69 |
-8.4 |
0.14 |
0 |
|
|
143105 |
53146173 |
1 |
ON5C18H29 |
AB5C18D29 |
-27.5 |
2.66 |
-8.05 |
0.17 |
0 |
|
|
143106 |
53146684 |
1 |
SN3O3C16H21 |
AB3C3D16E21 |
-53.08 |
4.14 |
-9.23 |
-0.39 |
0 |
|
|
143107 |
53146685 |
1 |
ClFSN3O3C14H15 |
ABCD3E3F14G15 |
-92.89 |
8.03 |
-9.41 |
-0.91 |
0 |
|
|
143108 |
53146854 |
1 |
O2N5C17H25 |
A2B5C17D25 |
-51.17 |
9.72 |
-8.95 |
-0.48 |
0 |
|
|
143109 |
53148225 |
1 |
OF2N2H14C19 |
AB2C2D14E19 |
-54.25 |
5.12 |
-9.56 |
-0.74 |
0 |
|
|
143110 |
53148349 |
1 |
SN2O4C20H20 |
AB2C4D20E20 |
-70.95 |
4.26 |
-8.78 |
-0.67 |
0 |
|
|
143111 |
53148350 |
1 |
SF2N2O3H18C20 |
AB2C2D3E18F20 |
-135.61 |
4.83 |
-9.04 |
-0.66 |
0 |
|
|
143112 |
53148431 |
2 |
ON2C11H11 |
AB2C11D11 |
3.5 |
2.65 |
-8.76 |
-0.8 |
0 |
|
|
143113 |
53148881 |
1 |
ON4H20C22 |
AB4C20D22 |
61.21 |
2.5 |
-9.09 |
-0.87 |
0 |
|
|
143114 |
53149087 |
1 |
OF2N3C19H21 |
AB2C3D19E21 |
-89.82 |
7.0 |
-8.51 |
-0.71 |
0 |
|
|
143115 |
53149131 |
1 |
ClO2N6H13C17 |
AB2C6D13E17 |
34.23 |
4.96 |
-9.57 |
-1.6 |
0 |
|
|
143116 |
53149344 |
1 |
FSO2N3C18H20 |
ABC2D3E18F20 |
-91.39 |
3.13 |
-9.57 |
-0.74 |
0 |
|
|
143117 |
53149365 |
1 |
SO2F3N3C21H24 |
AB2C3D3E21F24 |
-213.57 |
4.4 |
-9.63 |
-1.05 |
0 |
|
|
143118 |
53149722 |
1 |
ON3H15C18 |
AB3C15D18 |
50.48 |
2.48 |
-9.74 |
-1.14 |
0 |
|
|
143119 |
53149847 |
1 |
FON3C18H24 |
ABC3D18E24 |
-63.79 |
4.43 |
-8.5 |
-0.1 |
0 |
|
|
143120 |
53149848 |
1 |
ClFON3C17H21 |
ABCD3E17F21 |
-73.54 |
7.16 |
-8.73 |
-0.23 |
0 |
|
|
143121 |
53150076 |
1 |
N2O3C22H30 |
A2B3C22D30 |
-116.85 |
7.75 |
-9.22 |
-0.18 |
0 |
|
|
143122 |
53150077 |
1 |
FN2O3C25H29 |
AB2C3D25E29 |
-143.89 |
6.58 |
-8.96 |
-0.13 |
0 |
|
|
143123 |
53150078 |
1 |
N2O3C26H32 |
A2B3C26D32 |
-108.07 |
3.92 |
-9.19 |
-0.14 |
0 |
|
|
143124 |
53150079 |
1 |
SN2O3C22H26 |
AB2C3D22E26 |
-81.12 |
6.04 |
-9.12 |
-0.6 |
0 |
|
|
143125 |
53150080 |
1 |
SN2O3C23H28 |
AB2C3D23E28 |
-94.31 |
4.04 |
-9.18 |
-0.42 |
0 |
|
|
143126 |
53150102 |
2 |
NO2C13H16 |
AB2C13D16 |
-140.55 |
5.71 |
-9.07 |
-0.1 |
0 |
|
|
143127 |
53150237 |
1 |
FN2O3C23H25 |
AB2C3D23E25 |
-114.7 |
2.97 |
-9.28 |
-0.59 |
0 |
|
|
143128 |
53150238 |
1 |
N2O3C24H28 |
A2B3C24D28 |
-77.65 |
7.35 |
-9.24 |
-0.23 |
0 |
|
|
143129 |
53150407 |
1 |
N2O3C24H34 |
A2B3C24D34 |
-127.5 |
2.95 |
-9.11 |
-0.02 |
0 |
|
|
143130 |
53150429 |
2 |
NO2C11H16 |
AB2C11D16 |
-175.26 |
3.5 |
-9.29 |
-0.22 |
0 |
|
|
143131 |
53150987 |
1 |
N2O3C21H26 |
A2B3C21D26 |
-80.08 |
5.94 |
-8.8 |
-0.2 |
0 |
|
|
143132 |
53151628 |
1 |
SN4O4C18H18 |
AB4C4D18E18 |
-61.44 |
7.32 |
-9.33 |
-1.39 |
0 |
|
|
143133 |
53151773 |
2 |
OSN2C6H9 |
ABC2D6E9 |
-33.81 |
6.5 |
-9.54 |
-1.2 |
0 |