List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
330131 |
127247118 |
1 |
ON4C18H20 |
AB4C18D20 |
26.05 |
4.9 |
-8.62 |
-0.14 |
0 |
|
|
330132 |
127247119 |
1 |
O2N5H15C16 |
A2B5C15D16 |
12.61 |
1.93 |
-9.65 |
-1.16 |
0 |
|
|
330133 |
127247120 |
1 |
O2N3C18H19 |
A2B3C18D19 |
-13.3 |
1.95 |
-9.01 |
-0.31 |
0 |
|
|
330134 |
127247121 |
1 |
ON5C17H19 |
AB5C17D19 |
50.66 |
3.09 |
-8.78 |
-0.24 |
0 |
|
|
330135 |
127247122 |
1 |
ON5C17H19 |
AB5C17D19 |
42.12 |
5.83 |
-9.07 |
-0.27 |
0 |
|
|
330136 |
127247123 |
1 |
ON5C17H19 |
AB5C17D19 |
33.69 |
2.04 |
-9.04 |
-0.22 |
0 |
|
|
330137 |
127247124 |
1 |
ON5C17H19 |
AB5C17D19 |
35.25 |
1.49 |
-8.86 |
-0.48 |
0 |
|
|
330138 |
127247125 |
1 |
SO2N5C13H19 |
AB2C5D13E19 |
-19.72 |
5.73 |
-9.51 |
0.1 |
0 |
|
|
330139 |
127247126 |
1 |
ON4C18H22 |
AB4C18D22 |
14.57 |
6.2 |
-8.44 |
-0.19 |
0 |
|
|
330140 |
127247127 |
1 |
O2N3C18H21 |
A2B3C18D21 |
-6.48 |
4.98 |
-8.98 |
-0.05 |
0 |
|
|
330141 |
127247128 |
1 |
O2N3C12H19 |
A2B3C12D19 |
-63.73 |
4.21 |
-9.32 |
0.51 |
0 |
|
|
330142 |
127247129 |
2 |
N2C7H10 |
A2B7C10 |
51.69 |
3.17 |
-8.59 |
0.73 |
0 |
|
|
330143 |
127247130 |
1 |
ON4C13H18 |
AB4C13D18 |
40.36 |
1.33 |
-9.16 |
0.1 |
0 |
|
|
330144 |
127247131 |
1 |
SN4C12H16 |
AB4C12D16 |
67.3 |
2.64 |
-9.14 |
-0.53 |
0 |
|
|
330145 |
127247132 |
1 |
N4C15H20 |
A4B15C20 |
50.11 |
4.84 |
-9.06 |
-0.24 |
0 |
|
|
330146 |
127247133 |
1 |
ON5C14H19 |
AB5C14D19 |
15.49 |
5.51 |
-9.43 |
0.4 |
0 |
|
|
330147 |
127247134 |
1 |
N5C15H23 |
A5B15C23 |
54.67 |
3.51 |
-9.22 |
0.65 |
0 |
|
|
330148 |
127247135 |
1 |
OSN3C14H17 |
ABC3D14E17 |
10.22 |
4.0 |
-9.22 |
-0.44 |
0 |
|
|
330149 |
127247136 |
2 |
ON2C7H10 |
AB2C7D10 |
-66.43 |
2.61 |
-9.11 |
0.25 |
0 |
|
|
330150 |
127247137 |
1 |
ON4C15H24 |
AB4C15D24 |
-27.35 |
4.08 |
-9.17 |
0.74 |
0 |
|
|
330151 |
127247138 |
1 |
N4C17H20 |
A4B17C20 |
69.18 |
3.03 |
-8.46 |
0.0 |
0 |
|
|
330152 |
127247139 |
1 |
ON3C17H21 |
AB3C17D21 |
-2.69 |
6.69 |
-9.1 |
-0.41 |
0 |
|
|
330153 |
127247140 |
1 |
ON4C16H20 |
AB4C16D20 |
9.37 |
3.26 |
-9.45 |
-0.22 |
0 |
|
|
330154 |
127247141 |
1 |
ON5C15H21 |
AB5C15D21 |
17.45 |
5.47 |
-9.51 |
0.38 |
0 |
|
|
330155 |
127247142 |
1 |
FON3C16H20 |
ABC3D16E20 |
-36.62 |
3.63 |
-9.0 |
-0.03 |
0 |
|
|
330156 |
127247143 |
1 |
OSN3C15H19 |
ABC3D15E19 |
-1.33 |
5.05 |
-9.33 |
-0.23 |
0 |
|
|
330157 |
127247144 |
2 |
N2C9H10 |
A2B9C10 |
79.12 |
3.87 |
-8.92 |
-0.75 |
0 |
|
|
330158 |
127247145 |
2 |
N2C9H10 |
A2B9C10 |
79.0 |
2.99 |
-9.14 |
-0.69 |
0 |
|
|
330159 |
127247146 |
1 |
ON5C16H17 |
AB5C16D17 |
50.67 |
3.62 |
-9.11 |
-0.65 |
0 |
|
|
330160 |
127247147 |
1 |
ON3C18H21 |
AB3C18D21 |
26.53 |
2.77 |
-9.46 |
0.04 |
0 |
|
|
330161 |
127247148 |
1 |
ON6C15H16 |
AB6C15D16 |
70.62 |
7.32 |
-9.3 |
-1.34 |
0 |
|
|
330162 |
127247149 |
1 |
ON5C16H19 |
AB5C16D19 |
47.22 |
3.04 |
-9.54 |
-1.02 |
0 |
|
|
330163 |
127247150 |
1 |
N3O3C16H17 |
A3B3C16D17 |
-50.97 |
4.64 |
-9.15 |
-0.53 |
0 |
|
|
330164 |
127247151 |
1 |
ON5C16H21 |
AB5C16D21 |
14.5 |
3.5 |
-9.53 |
-1.02 |
0 |
|
|
330165 |
127247152 |
2 |
ON2C8H10 |
AB2C8D10 |
-30.12 |
3.99 |
-9.31 |
-0.59 |
0 |
|
|
330166 |
127247153 |
1 |
O2N5C15H19 |
A2B5C15D19 |
-15.52 |
5.18 |
-9.3 |
-0.78 |
0 |
|
|
330167 |
127247154 |
1 |
O2N3C17H23 |
A2B3C17D23 |
-30.26 |
6.63 |
-8.57 |
0.32 |
0 |
|
|
330168 |
127247155 |
1 |
ON5C16H23 |
AB5C16D23 |
6.63 |
4.87 |
-9.23 |
0.12 |
0 |
|
|
330169 |
127247156 |
1 |
ON5C16H23 |
AB5C16D23 |
1.96 |
4.91 |
-9.09 |
0.28 |
0 |
|
|
330170 |
127247157 |
1 |
ON5C16H23 |
AB5C16D23 |
7.64 |
0.96 |
-9.16 |
0.59 |
0 |
|
|
330171 |
127247158 |
1 |
N5C17H27 |
A5B17C27 |
44.05 |
6.54 |
-8.89 |
0.75 |
0 |
|
|
330172 |
127247159 |
1 |
O2N5C15H21 |
A2B5C15D21 |
-8.54 |
3.98 |
-9.5 |
-0.3 |
0 |
|
|
330173 |
127247160 |
1 |
OSN3C16H21 |
ABC3D16E21 |
-1.29 |
4.07 |
-9.35 |
-0.46 |
0 |
|
|
330174 |
127247161 |
1 |
O3N4C15H20 |
A3B4C15D20 |
-36.73 |
4.3 |
-9.44 |
0.0 |
0 |
|
|
330175 |
127247162 |
1 |
ON4C17H28 |
AB4C17D28 |
-34.79 |
2.52 |
-8.54 |
0.43 |
0 |
|
|
330176 |
127247163 |
1 |
ON4C18H18 |
AB4C18D18 |
39.53 |
5.31 |
-9.19 |
-1.18 |
0 |
|
|
330177 |
127247164 |
1 |
ON4C18H18 |
AB4C18D18 |
39.23 |
4.59 |
-9.19 |
-1.11 |
0 |
|
|
330178 |
127247165 |
1 |
N5C18H21 |
A5B18C21 |
95.51 |
1.37 |
-9.02 |
-0.25 |
0 |
|
|
330179 |
127247166 |
1 |
ON4C18H20 |
AB4C18D20 |
20.46 |
5.58 |
-8.64 |
-0.16 |
0 |
|
|
330180 |
127247167 |
1 |
FSO2N3C14H16 |
ABC2D3E14F16 |
-69.81 |
2.49 |
-9.37 |
-0.98 |
0 |
|
|
330181 |
127247168 |
1 |
O2N3C18H19 |
A2B3C18D19 |
-13.76 |
4.28 |
-9.18 |
-0.46 |
0 |
|
|
330182 |
127247169 |
1 |
ON5C17H19 |
AB5C17D19 |
41.13 |
2.8 |
-9.28 |
-0.49 |
0 |
|
|
330183 |
127247170 |
1 |
ON5C17H19 |
AB5C17D19 |
36.35 |
5.93 |
-9.1 |
-0.79 |
0 |
|
|
330184 |
127247171 |
1 |
ON6C16H18 |
AB6C16D18 |
68.8 |
3.82 |
-9.38 |
-0.78 |
0 |
|
|
330185 |
127247172 |
1 |
N6C17H24 |
A6B17C24 |
64.64 |
4.92 |
-8.62 |
0.11 |
0 |
|
|
330186 |
127247173 |
1 |
O2N5C16H19 |
A2B5C16D19 |
-21.62 |
4.3 |
-9.44 |
-0.69 |
0 |
|
|
330187 |
127247174 |
1 |
O2N3C18H23 |
A2B3C18D23 |
-48.76 |
4.42 |
-8.9 |
0.28 |
0 |
|
|
330188 |
127247175 |
1 |
ON5C17H25 |
AB5C17D25 |
-3.09 |
6.21 |
-9.28 |
0.37 |
0 |
|
|
330189 |
127247176 |
1 |
OSN3C17H21 |
ABC3D17E21 |
-1.56 |
4.96 |
-9.1 |
-0.39 |
0 |
|
|
330190 |
127247177 |
1 |
FO2N3C17H20 |
AB2C3D17E20 |
-77.99 |
4.39 |
-9.02 |
-0.05 |
0 |
|
|
330191 |
127247178 |
1 |
O2N5C16H23 |
A2B5C16D23 |
-15.28 |
5.65 |
-9.49 |
-0.25 |
0 |
|
|
330192 |
127247179 |
1 |
O2N5C16H23 |
A2B5C16D23 |
-30.49 |
3.22 |
-9.51 |
-0.15 |
0 |
|
|
330193 |
127247180 |
1 |
N5C19H21 |
A5B19C21 |
98.0 |
2.82 |
-9.29 |
-0.88 |
0 |
|
|
330194 |
127247181 |
1 |
ON6C17H18 |
AB6C17D18 |
66.53 |
3.73 |
-9.44 |
-0.68 |
0 |
|
|
330195 |
127247182 |
1 |
ON5C18H21 |
AB5C18D21 |
27.52 |
3.67 |
-8.85 |
-0.47 |
0 |
|
|
330196 |
127247183 |
1 |
SO2N5C14H21 |
AB2C5D14E21 |
-29.41 |
3.78 |
-9.19 |
0.06 |
0 |
|
|
330197 |
127247184 |
1 |
ON3C20H25 |
AB3C20D25 |
-16.52 |
5.58 |
-9.13 |
0.17 |
0 |
|
|
330198 |
127247185 |
1 |
ON6C17H20 |
AB6C17D20 |
60.24 |
3.06 |
-9.36 |
-0.61 |
0 |
|
|
330199 |
127247186 |
1 |
ON6C17H20 |
AB6C17D20 |
49.76 |
7.54 |
-9.29 |
-0.98 |
0 |
|
|
330200 |
127247187 |
1 |
O2N5C17H19 |
A2B5C17D19 |
24.81 |
6.76 |
-9.65 |
-1.15 |
0 |
|
|
330201 |
127247188 |
1 |
O2N3C19H23 |
A2B3C19D23 |
-13.7 |
0.83 |
-8.84 |
0.09 |
0 |
|
|
330202 |
127247189 |
1 |
SN3O4C10H15 |
AB3C4D10E15 |
-138.98 |
4.29 |
-10.27 |
-0.34 |
0 |
|
|
330203 |
127247190 |
1 |
SO2N5C12H15 |
AB2C5D12E15 |
-5.32 |
3.87 |
-9.25 |
-0.69 |
0 |
|
|
330204 |
127247191 |
1 |
SO2N5C12H15 |
AB2C5D12E15 |
-8.98 |
5.35 |
-9.27 |
-0.44 |
0 |
|
|
330205 |
127247192 |
1 |
SO2N5C12H15 |
AB2C5D12E15 |
-6.02 |
7.38 |
-9.04 |
-0.49 |
0 |
|
|
330206 |
127247193 |
1 |
SN4O4C12H14 |
AB4C4D12E14 |
-63.49 |
4.22 |
-10.18 |
-1.13 |
0 |
|
|
330207 |
127247194 |
1 |
SN3O3C14H23 |
AB3C3D14E23 |
-107.12 |
6.2 |
-9.3 |
-0.12 |
0 |
|
|
330208 |
127247195 |
1 |
SO3N4C14H16 |
AB3C4D14E16 |
-55.88 |
6.61 |
-9.75 |
-0.95 |
0 |
|
|
330209 |
127247196 |
1 |
SO3N5C13H15 |
AB3C5D13E15 |
-41.55 |
2.62 |
-9.97 |
-1.39 |
0 |
|
|
330210 |
127247197 |
2 |
SN2O2C5H9 |
AB2C2D5E9 |
-130.41 |
6.34 |
-10.0 |
-0.33 |
0 |
|
|
330211 |
127247198 |
1 |
SO3N5C13H17 |
AB3C5D13E17 |
-49.38 |
1.44 |
-9.61 |
-0.09 |
0 |
|
|
330212 |
127247199 |
1 |
S2N3O3C13H15 |
A2B3C3D13E15 |
-61.96 |
5.83 |
-9.49 |
-0.93 |
0 |
|
|
330213 |
127247200 |
1 |
S2N3O3C13H15 |
A2B3C3D13E15 |
-60.53 |
2.82 |
-9.51 |
-0.68 |
0 |
|
|
330214 |
127247201 |
1 |
SN3O3C15H23 |
AB3C3D15E23 |
-117.79 |
3.15 |
-9.82 |
-0.12 |
0 |
|
|
330215 |
127247202 |
1 |
S2O3N4C12H14 |
A2B3C4D12E14 |
-48.1 |
6.8 |
-9.61 |
-1.19 |
0 |
|
|
330216 |
127247203 |
1 |
SO3N4C15H18 |
AB3C4D15E18 |
-65.54 |
2.95 |
-9.97 |
-0.49 |
0 |
|
|
330217 |
127247204 |
1 |
SO3N4C15H18 |
AB3C4D15E18 |
-67.17 |
1.91 |
-9.77 |
-0.75 |
0 |
|
|
330218 |
127247205 |
1 |
SO3N5C14H17 |
AB3C5D14E17 |
-52.82 |
7.03 |
-9.84 |
-1.15 |
0 |
|
|
330219 |
127247206 |
1 |
SO3N5C14H17 |
AB3C5D14E17 |
-57.1 |
2.38 |
-10.16 |
-1.17 |
0 |
|
|
330220 |
127247207 |
1 |
SO2N5C15H23 |
AB2C5D15E23 |
-23.41 |
4.48 |
-9.44 |
0.04 |
0 |
|
|
330221 |
127247208 |
1 |
SN4O4C14H18 |
AB4C4D14E18 |
-78.52 |
4.05 |
-10.06 |
-0.95 |
0 |
|
|
330222 |
127247209 |
1 |
S2N3O3C14H17 |
A2B3C3D14E17 |
-70.09 |
3.43 |
-9.18 |
-0.42 |
0 |
|
|
330223 |
127247210 |
1 |
S2N3O3C14H17 |
A2B3C3D14E17 |
-74.19 |
1.53 |
-9.37 |
-0.79 |
0 |
|
|
330224 |
127247211 |
1 |
S2O3N4C13H16 |
A2B3C4D13E16 |
-63.99 |
4.33 |
-9.68 |
-1.3 |
0 |
|
|
330225 |
127247212 |
1 |
SN3O3C17H19 |
AB3C3D17E19 |
-55.15 |
2.13 |
-9.57 |
-0.77 |
0 |
|
|
330226 |
127247213 |
1 |
S2N3O4C13H21 |
A2B3C4D13E21 |
-143.83 |
7.66 |
-9.93 |
-0.15 |
0 |
|
|
330227 |
127247214 |
1 |
SN3O4C16H19 |
AB3C4D16E19 |
-104.68 |
3.28 |
-9.3 |
-0.15 |
0 |
|
|
330228 |
127247215 |
1 |
SN3O4C16H19 |
AB3C4D16E19 |
-110.97 |
10.39 |
-9.67 |
-0.68 |
0 |
|
|
330229 |
127247216 |
1 |
SN4O4C15H18 |
AB4C4D15E18 |
-104.51 |
4.08 |
-9.85 |
-0.99 |
0 |
|
|
330230 |
127247217 |
1 |
SN4O4C15H18 |
AB4C4D15E18 |
-103.37 |
3.78 |
-9.83 |
-0.86 |
0 |