List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
319045 |
126654306 |
1 |
NSO3C14H31 |
ABC3D14E31 |
-178.41 |
7.21 |
-9.18 |
0.94 |
0 |
|
|
319047 |
126654312 |
1 |
N2O2C17H26 |
A2B2C17D26 |
-69.33 |
1.79 |
-8.79 |
-0.43 |
0 |
|
|
319048 |
126654319 |
1 |
NO2C14H31 |
AB2C14D31 |
-140.12 |
3.26 |
-8.96 |
2.24 |
0 |
|
|
319049 |
126654322 |
1 |
ON2C16H28 |
AB2C16D28 |
-57.13 |
2.57 |
-8.85 |
-0.02 |
0 |
|
|
319050 |
126654323 |
1 |
NOC15H33 |
ABC15D33 |
-110.15 |
1.56 |
-8.86 |
2.44 |
0 |
|
|
319051 |
126654328 |
1 |
N3C16H35 |
A3B16C35 |
-51.7 |
1.44 |
-8.21 |
2.63 |
0 |
|
|
319055 |
126654374 |
1 |
NO2C14H29 |
AB2C14D29 |
-129.79 |
2.8 |
-8.9 |
1.87 |
0 |
|
|
319056 |
126654376 |
1 |
ON3C18H31 |
AB3C18D31 |
-50.71 |
2.16 |
-8.26 |
0.39 |
0 |
|
|
319057 |
126654378 |
1 |
NO2C15H31 |
AB2C15D31 |
-117.75 |
1.7 |
-8.73 |
1.61 |
0 |
|
|
319058 |
126654380 |
1 |
N3C17H29 |
A3B17C29 |
-16.08 |
2.6 |
-8.18 |
0.5 |
0 |
|
|
319059 |
126654385 |
1 |
NO2C18H31 |
AB2C18D31 |
-102.91 |
2.02 |
-8.25 |
0.33 |
0 |
|
|
319060 |
126654388 |
1 |
NOC19H31 |
ABC19D31 |
-64.77 |
1.33 |
-8.45 |
0.41 |
0 |
|
|
319061 |
126654395 |
1 |
ON3C19H37 |
AB3C19D37 |
-93.58 |
5.11 |
-8.32 |
1.06 |
0 |
|
|
319062 |
126654396 |
2 |
NOC12H18 |
ABC12D18 |
-95.18 |
4.22 |
-8.89 |
-0.3 |
0 |
|
|
319063 |
126654397 |
1 |
O2N3C22H33 |
A2B3C22D33 |
-67.01 |
1.84 |
-8.1 |
-0.2 |
0 |
|
|
319064 |
126654398 |
1 |
N2O2C17H30 |
A2B2C17D30 |
-99.66 |
2.98 |
-8.52 |
-0.19 |
0 |
|
|
319065 |
126654404 |
2 |
NOC9H15 |
ABC9D15 |
-95.05 |
2.13 |
-8.91 |
0.12 |
0 |
|
|
319067 |
126654428 |
1 |
O5C22H34 |
A5B22C34 |
-210.41 |
5.11 |
-8.54 |
0.42 |
0 |
|
|
319068 |
126654429 |
1 |
ClS2O6N11C58H66 |
AB2C6D11E58F66 |
-96.86 |
11.74 |
-8.86 |
-1.28 |
0 |
|
|
319069 |
126654438 |
1 |
O4C17H18 |
A4B17C18 |
-49.09 |
5.33 |
-8.85 |
-0.56 |
0 |
|
|
319070 |
126654440 |
1 |
SN4O6C39H46 |
AB4C6D39E46 |
-115.8 |
6.66 |
-8.62 |
-0.97 |
0 |
|
|
319071 |
126654442 |
1 |
O4C13H16 |
A4B13C16 |
-147.32 |
2.47 |
-9.65 |
0.0 |
0 |
|
|
319072 |
126654443 |
1 |
SN6O6C41H56 |
AB6C6D41E56 |
-190.08 |
10.96 |
-7.51 |
-1.9 |
0 |
|
|
319074 |
126654464 |
1 |
N3O3C18H23 |
A3B3C18D23 |
-70.18 |
2.57 |
-9.34 |
-0.48 |
0 |
|
|
319075 |
126654467 |
2 |
SO2N3C21H22 |
AB2C3D21E22 |
-4.89 |
10.16 |
-8.65 |
-1.33 |
0 |
|
|
319076 |
126654477 |
1 |
NSO3C17H23 |
ABC3D17E23 |
-95.39 |
2.86 |
-8.77 |
-0.68 |
0 |
|
|
319078 |
126654558 |
1 |
ClSO6N10C51H57 |
ABC6D10E51F57 |
-118.1 |
10.59 |
-8.62 |
-1.54 |
0 |
|
|
319079 |
126654560 |
1 |
ClS2O6N9C53H60 |
AB2C6D9E53F60 |
-110.66 |
7.54 |
-9.11 |
-1.42 |
0 |
|
|
319081 |
126654567 |
1 |
ClS2O6N11C51H54 |
AB2C6D11E51F54 |
-75.85 |
10.45 |
-8.8 |
-1.67 |
0 |
|
|
319084 |
126654647 |
1 |
ClS2O7N9C54H58 |
AB2C7D9E54F58 |
-141.88 |
15.37 |
-8.98 |
-1.64 |
0 |
|
|
319086 |
126654716 |
1 |
ClS2O7N10C51H63 |
AB2C7D10E51F63 |
-191.35 |
5.68 |
-8.63 |
-1.18 |
0 |
|
|
319087 |
126654717 |
1 |
ClS2O7N10C51H63 |
AB2C7D10E51F63 |
-197.07 |
5.73 |
-8.66 |
-1.19 |
0 |
|
|
319088 |
126654723 |
1 |
ClS2O8N10C58H63 |
AB2C8D10E58F63 |
-164.82 |
6.55 |
-8.73 |
-1.44 |
0 |
|
|
319089 |
126654726 |
1 |
ClS2O7N10C53H65 |
AB2C7D10E53F65 |
-202.4 |
6.74 |
-9.18 |
-1.47 |
0 |
|
|
319090 |
126654742 |
1 |
O2N5C24H27 |
A2B5C24D27 |
5.36 |
7.41 |
-8.9 |
-0.89 |
0 |
|
|
319092 |
126654750 |
1 |
NO2C18H31 |
AB2C18D31 |
-106.63 |
4.41 |
-8.82 |
0.19 |
0 |
|
|
319093 |
126654752 |
1 |
ON2C23H40 |
AB2C23D40 |
-74.9 |
2.22 |
-8.62 |
0.36 |
0 |
|
|
319094 |
126654755 |
1 |
NO4C21H35 |
AB4C21D35 |
-178.54 |
4.35 |
-7.76 |
0.39 |
0 |
|
|
319097 |
126654760 |
1 |
NO4C18H29 |
AB4C18D29 |
-162.35 |
3.48 |
-7.94 |
0.21 |
0 |
|
|
319100 |
126654768 |
1 |
NO4C23H37 |
AB4C23D37 |
-156.33 |
3.09 |
-8.65 |
0.24 |
0 |
|
|
319101 |
126654780 |
1 |
N2O2C15H24 |
A2B2C15D24 |
-71.56 |
5.6 |
-9.14 |
-0.62 |
0 |
|
|
319102 |
126654783 |
1 |
N2O3C15H24 |
A2B3C15D24 |
-108.91 |
1.08 |
-8.88 |
-0.46 |
0 |
|
|
319103 |
126654795 |
1 |
FNO2C18H26 |
ABC2D18E26 |
-120.42 |
3.62 |
-9.03 |
-0.75 |
0 |
|
|
319104 |
126654796 |
1 |
NO3C14H29 |
AB3C14D29 |
-160.87 |
3.58 |
-8.81 |
0.43 |
0 |
|
|
319105 |
126654827 |
1 |
ON2C14H24 |
AB2C14D24 |
-52.76 |
1.75 |
-8.86 |
0.09 |
0 |
|
|
319106 |
126654847 |
1 |
N2O3C74H98 |
A2B3C74D98 |
-73.43 |
5.53 |
-8.49 |
0.0 |
0 |
|
|
319107 |
126654848 |
1 |
O8N9C58H71 |
A8B9C58D71 |
-214.68 |
7.28 |
-8.24 |
-1.08 |
0 |
|
|
319108 |
126654864 |
1 |
O7N9C62H71 |
A7B9C62D71 |
-135.49 |
12.57 |
-9.14 |
-1.12 |
0 |
|
|
319111 |
126654915 |
1 |
ClS2O6N10C53H59 |
AB2C6D10E53F59 |
-69.18 |
16.71 |
-9.29 |
-1.47 |
0 |
|
|
319112 |
126654917 |
1 |
ClS2O6N9C53H58 |
AB2C6D9E53F58 |
-108.48 |
9.44 |
-9.16 |
-1.6 |
0 |
|
|
319114 |
126654922 |
1 |
ClS2O7N9C52H58 |
AB2C7D9E52F58 |
-149.19 |
7.35 |
-8.32 |
-1.45 |
0 |
|
|
319115 |
126654940 |
1 |
S2N5O9C59H71 |
A2B5C9D59E71 |
-278.98 |
6.44 |
-7.92 |
-0.44 |
0 |
|
|
319116 |
126654943 |
1 |
ClFS2O6N8C55H62 |
ABC2D6E8F55G62 |
-200.93 |
5.74 |
-8.95 |
-1.4 |
0 |
|
|
319117 |
126654950 |
1 |
ClS2O7N8C54H57 |
AB2C7D8E54F57 |
-134.97 |
12.33 |
-8.77 |
-1.54 |
0 |
|
|
319119 |
126654961 |
1 |
SN6O8C55H62 |
AB6C8D55E62 |
-219.39 |
10.14 |
-8.31 |
-0.9 |
0 |
|
|
319122 |
126654983 |
1 |
ClS2N6O6C57H61 |
AB2C6D6E57F61 |
-116.32 |
9.34 |
-8.73 |
-1.08 |
0 |
|
|
319125 |
126655001 |
1 |
ClSO5N9C56H64 |
ABC5D9E56F64 |
-103.85 |
11.86 |
-8.43 |
-1.33 |
0 |
|
|
319126 |
126655004 |
1 |
ClS2O4N10C53H57 |
AB2C4D10E53F57 |
8.49 |
7.86 |
-8.78 |
-1.34 |
0 |
|
|
319128 |
126655010 |
1 |
ClS2O4N10C55H59 |
AB2C4D10E55F59 |
14.84 |
5.88 |
-8.72 |
-1.39 |
0 |
|
|
319130 |
126655035 |
1 |
ClSO4N12C54H59 |
ABC4D12E54F59 |
18.4 |
14.09 |
-8.76 |
-1.45 |
0 |
|
|
319131 |
126655046 |
1 |
ClS2O4N12C53H57 |
AB2C4D12E53F57 |
43.78 |
19.57 |
-9.39 |
-1.33 |
0 |
|
|
319133 |
126655066 |
1 |
ClS2O5N10C56H61 |
AB2C5D10E56F61 |
-58.1 |
14.2 |
-8.83 |
-1.68 |
0 |
|
|
319135 |
126655078 |
1 |
PSN2O6C24H33 |
ABC2D6E24F33 |
-262.52 |
8.35 |
-8.69 |
-0.69 |
0 |
|
|
319136 |
126655086 |
1 |
SN2O4C11H12 |
AB2C4D11E12 |
-113.25 |
5.13 |
-8.67 |
-0.46 |
0 |
|
|
319137 |
126655089 |
1 |
BrNOC16H22 |
ABCD16E22 |
-37.43 |
0.59 |
-9.11 |
-0.28 |
0 |
|
|
319139 |
126655096 |
1 |
NO6C14H25 |
AB6C14D25 |
-304.13 |
6.11 |
-10.14 |
0.31 |
0 |
|
|
319140 |
126655106 |
1 |
FSN2O3H17C18 |
ABC2D3E17F18 |
-119.99 |
4.07 |
-8.78 |
-0.84 |
0 |
|
|
319141 |
126655114 |
1 |
ClNSO2H12C16 |
ABCD2E12F16 |
-16.9 |
3.11 |
-9.19 |
-1.0 |
0 |
|
|
319143 |
126655121 |
1 |
BrNC6H8 |
ABC6D8 |
15.31 |
4.23 |
-9.47 |
-0.34 |
0 |
|
|
319144 |
126655124 |
1 |
N2O2C13H16 |
A2B2C13D16 |
-54.69 |
3.25 |
-9.08 |
-0.06 |
0 |
|
|
319146 |
126655168 |
1 |
NO2C10H17 |
AB2C10D17 |
-94.54 |
1.56 |
-9.6 |
0.92 |
0 |
|
|
319151 |
126655182 |
1 |
NO2C9H15 |
AB2C9D15 |
-86.13 |
2.55 |
-9.66 |
0.93 |
0 |
|
|
319152 |
126655186 |
1 |
SN2C9H16 |
AB2C9D16 |
-3.92 |
1.44 |
-8.89 |
-0.01 |
0 |
|
|
319153 |
126655188 |
1 |
NOSC9H15 |
ABCD9E15 |
-47.18 |
1.67 |
-9.11 |
-0.12 |
0 |
|
|
319155 |
126655200 |
1 |
NOC8H17 |
ABC8D17 |
-72.69 |
2.69 |
-8.68 |
2.61 |
0 |
|
|
319156 |
126655203 |
1 |
NO2C8H17 |
AB2C8D17 |
-100.86 |
2.91 |
-8.68 |
1.77 |
0 |
|
|
319157 |
126655205 |
1 |
NO2C10H21 |
AB2C10D21 |
-102.25 |
3.78 |
-8.6 |
1.82 |
0 |
|
|
319161 |
126655231 |
1 |
F2O2N5H15C20 |
A2B2C5D15E20 |
-69.89 |
5.85 |
-8.52 |
-1.37 |
0 |
|
|
319163 |
126655234 |
1 |
F2O3N5H17C21 |
A2B3C5D17E21 |
-99.4 |
6.17 |
-9.39 |
-1.52 |
0 |
|
|
319165 |
126655238 |
1 |
F2O2N5H19C21 |
A2B2C5D19E21 |
-87.18 |
6.35 |
-8.41 |
-1.31 |
0 |
|
|
319166 |
126655240 |
1 |
OF4N5H17C21 |
AB4C5D17E21 |
-148.27 |
6.79 |
-8.57 |
-1.38 |
0 |
|
|
319167 |
126655241 |
1 |
O2N7C26H33 |
A2B7C26D33 |
2.07 |
6.5 |
-8.74 |
-1.23 |
0 |
|
|
319169 |
126655253 |
1 |
SF3O5C18H23 |
AB3C5D18E23 |
-250.12 |
1.54 |
-8.65 |
-1.25 |
0 |
|
|
319170 |
126655254 |
1 |
FO2N6H15C21 |
AB2C6D15E21 |
18.28 |
3.72 |
-8.82 |
-1.33 |
0 |
|
|
319171 |
126655258 |
1 |
FO3N6H21C23 |
AB3C6D21E23 |
-32.96 |
4.39 |
-8.56 |
-1.45 |
0 |
|
|
319172 |
126655262 |
1 |
FO2N6H21C23 |
AB2C6D21E23 |
-1.8 |
2.43 |
-8.4 |
-1.31 |
0 |
|
|
319175 |
126655265 |
1 |
FO2N7H22C24 |
AB2C7D22E24 |
25.64 |
3.97 |
-8.57 |
-1.3 |
0 |
|
|
319176 |
126655266 |
1 |
FO3N5H16C21 |
AB3C5D16E21 |
-30.05 |
3.47 |
-9.59 |
-1.25 |
0 |
|
|
319177 |
126655267 |
1 |
FO2N6H15C20 |
AB2C6D15E20 |
22.2 |
7.04 |
-8.59 |
-1.66 |
0 |
|
|
319178 |
126655268 |
1 |
F2O4N5C25H25 |
A2B4C5D25E25 |
-169.42 |
1.53 |
-8.69 |
-1.37 |
0 |
|
|
319179 |
126655269 |
1 |
ON3C14H17 |
AB3C14D17 |
30.94 |
3.24 |
-8.28 |
-0.05 |
0 |
|
|
319180 |
126655270 |
1 |
F2O4N5C25H25 |
A2B4C5D25E25 |
-188.61 |
3.45 |
-9.72 |
-1.58 |
0 |
|
|
319183 |
126655273 |
2 |
N2C4H7 |
A2B4C7 |
45.32 |
4.18 |
-8.46 |
0.74 |
0 |
|
|
319184 |
126655274 |
1 |
F2O3N6C26H28 |
A2B3C6D26E28 |
-128.14 |
3.39 |
-8.37 |
-1.29 |
0 |
|
|
319185 |
126655275 |
1 |
N4C15H20 |
A4B15C20 |
72.93 |
3.52 |
-8.06 |
-0.05 |
0 |
|
|
319189 |
126655279 |
1 |
F2O4N5C30H33 |
A2B4C5D30E33 |
-187.13 |
2.18 |
-8.53 |
-1.3 |
0 |
|
|
319190 |
126655280 |
1 |
FO4N5H26C27 |
AB4C5D26E27 |
-104.29 |
1.7 |
-9.61 |
-1.55 |
0 |
|
|
319196 |
126655289 |
1 |
FO4N7C31H34 |
AB4C7D31E34 |
-90.28 |
4.48 |
-8.44 |
-1.34 |
0 |
|
|
319197 |
126655290 |
1 |
ON3C8H11 |
AB3C8D11 |
6.99 |
3.45 |
-9.83 |
-0.37 |
0 |
|
|
319198 |
126655291 |
1 |
FO4N6H25C27 |
AB4C6D25E27 |
-78.94 |
3.64 |
-9.66 |
-1.7 |
0 |