List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
313095 |
126611863 |
1 |
BrF3N3O3H13C18 |
AB3C3D3E13F18 |
-177.62 |
4.01 |
-9.75 |
-1.58 |
0 |
|
|
313096 |
126611868 |
1 |
O11N21C45H91 |
A11B21C45D91 |
-464.42 |
10.71 |
-8.86 |
-0.61 |
0 |
|
|
313097 |
126611870 |
1 |
ON2C9H16 |
AB2C9D16 |
-2.01 |
2.36 |
-8.28 |
0.58 |
0 |
|
|
313098 |
126611896 |
1 |
ClON5H24C25 |
ABC5D24E25 |
54.88 |
5.04 |
-9.02 |
-0.88 |
0 |
|
|
313099 |
126611899 |
1 |
ClON4C27H27 |
ABC4D27E27 |
33.55 |
6.4 |
-9.2 |
-0.87 |
0 |
|
|
313100 |
126611970 |
1 |
ClF2O3N4H25C29 |
AB2C3D4E25F29 |
-133.27 |
6.34 |
-9.0 |
-1.35 |
0 |
|
|
313101 |
126611974 |
1 |
ClNO2C19H28 |
ABC2D19E28 |
-117.51 |
3.64 |
-9.5 |
-0.06 |
0 |
|
|
313102 |
126611976 |
1 |
SO2F3H29C33 |
AB2C3D29E33 |
-163.58 |
1.43 |
-9.1 |
-1.15 |
0 |
|
|
313103 |
126611978 |
1 |
ClF2N2O4H33C34 |
AB2C2D4E33F34 |
-219.32 |
4.69 |
-9.04 |
-1.26 |
0 |
|
|
313104 |
126611983 |
1 |
NO2C11H17 |
AB2C11D17 |
-33.15 |
3.25 |
-9.36 |
0.09 |
0 |
|
|
313105 |
126611985 |
1 |
SC19H34 |
AB19C34 |
-47.78 |
0.97 |
-8.94 |
0.08 |
0 |
|
|
313106 |
126611987 |
1 |
NO4C18H21 |
AB4C18D21 |
-61.54 |
6.57 |
-8.81 |
-0.69 |
0 |
|
|
313107 |
126611988 |
2 |
N2C14H15 |
A2B14C15 |
146.24 |
2.08 |
-7.78 |
-0.68 |
0 |
|
|
313108 |
126612017 |
1 |
NF3C10H14 |
AB3C10D14 |
-139.65 |
3.36 |
-9.36 |
-0.02 |
0 |
|
|
313109 |
126612041 |
1 |
F3O3N5C22H24 |
A3B3C5D22E24 |
-186.48 |
2.57 |
-9.14 |
-0.82 |
0 |
|
|
313110 |
126612054 |
1 |
NOH41C50 |
ABC41D50 |
101.43 |
1.27 |
-7.77 |
-0.8 |
0 |
|
|
313111 |
126612060 |
1 |
NOH49C68 |
ABC49D68 |
206.58 |
2.99 |
-7.72 |
-0.79 |
0 |
|
|
313112 |
126612065 |
1 |
NO3H29C46 |
AB3C29D46 |
116.65 |
2.63 |
-7.93 |
-0.92 |
0 |
|
|
313113 |
126612067 |
1 |
NOH37C54 |
ABC37D54 |
193.07 |
2.27 |
-7.77 |
-0.4 |
0 |
|
|
313114 |
126612068 |
1 |
NOC124H129 |
ABC124D129 |
129.49 |
3.26 |
-7.67 |
-0.71 |
0 |
|
|
313115 |
126612069 |
1 |
NO3H33C52 |
AB3C33D52 |
139.65 |
2.18 |
-7.94 |
-0.91 |
0 |
|
|
313116 |
126612070 |
1 |
NOH61C92 |
ABC61D92 |
436.83 |
5.54 |
-8.35 |
-1.41 |
0 |
|
|
313117 |
126612071 |
1 |
NOH49C60 |
ABC49D60 |
119.94 |
1.82 |
-7.47 |
-0.71 |
0 |
|
|
313118 |
126612074 |
1 |
NOH61C92 |
ABC61D92 |
318.66 |
1.0 |
-7.59 |
-0.72 |
0 |
|
|
313119 |
126612076 |
1 |
NO3H29C48 |
AB3C29D48 |
119.88 |
3.41 |
-7.81 |
-0.73 |
0 |
|
|
313120 |
126612077 |
1 |
NOH33C49 |
ABC33D49 |
181.59 |
2.68 |
-7.82 |
-0.65 |
0 |
|
|
313121 |
126612080 |
2 |
NC3H6 |
AB3C6 |
18.49 |
3.82 |
-8.25 |
0.59 |
0 |
|
|
313122 |
126612081 |
1 |
NOH37C48 |
ABC37D48 |
123.07 |
3.5 |
-7.87 |
-0.6 |
0 |
|
|
313123 |
126612083 |
1 |
NOH25C38 |
ABC25D38 |
132.03 |
2.43 |
-7.96 |
-0.54 |
0 |
|
|
313124 |
126612085 |
1 |
NH43C44 |
AB43C44 |
96.24 |
2.2 |
-7.54 |
-0.52 |
0 |
|
|
313125 |
126612087 |
2 |
NC4H8 |
AB4C8 |
13.03 |
3.51 |
-8.01 |
0.68 |
0 |
|
|
313126 |
126612090 |
1 |
NO3H23C42 |
AB3C23D42 |
208.52 |
2.91 |
-8.1 |
-0.81 |
0 |
|
|
313127 |
126612091 |
1 |
FBr2N2H17C26 |
AB2C2D17E26 |
86.14 |
3.59 |
-8.94 |
-1.11 |
0 |
|
|
313128 |
126612098 |
1 |
O4C23H30 |
A4B23C30 |
-156.77 |
4.57 |
-8.56 |
-0.55 |
0 |
|
|
313129 |
126612102 |
4 |
OC5H6 |
AB5C6 |
-142.47 |
4.39 |
-8.56 |
-0.53 |
0 |
|
|
313130 |
126612113 |
1 |
O5C34H36 |
A5B34C36 |
-115.53 |
2.27 |
-9.19 |
0.12 |
0 |
|
|
313131 |
126612123 |
1 |
O10C39H48 |
A10B39C48 |
-376.26 |
1.01 |
-9.26 |
0.17 |
0 |
|
|
313132 |
126612131 |
4 |
OC5H6 |
AB5C6 |
-132.99 |
4.55 |
-9.22 |
0.13 |
0 |
|
|
313133 |
126612132 |
2 |
O2C7H14 |
A2B7C14 |
-224.12 |
5.04 |
-9.58 |
1.29 |
0 |
|
|
313134 |
126612133 |
1 |
SO9C55H60 |
AB9C55D60 |
-222.73 |
7.1 |
-8.81 |
-0.22 |
0 |
|
|
313135 |
126612141 |
1 |
O10C39H48 |
A10B39C48 |
-377.34 |
3.02 |
-9.27 |
0.18 |
0 |
|
|
313136 |
126612146 |
1 |
NOS2H33C46 |
ABC2D33E46 |
129.21 |
5.71 |
-7.83 |
-0.9 |
0 |
|
|
313137 |
126612170 |
1 |
NOH53C72 |
ABC53D72 |
320.04 |
2.2 |
-7.72 |
-0.49 |
0 |
|
|
313138 |
126612171 |
1 |
NOC130H133 |
ABC130D133 |
153.96 |
2.24 |
-7.73 |
-0.72 |
0 |
|
|
313139 |
126612172 |
1 |
NO3H41C64 |
AB3C41D64 |
185.6 |
2.78 |
-7.92 |
-0.92 |
0 |
|
|
313140 |
126612183 |
1 |
NOCl3H18C25 |
ABC3D18E25 |
42.36 |
2.19 |
-8.57 |
-0.6 |
0 |
|
|
313141 |
126612202 |
1 |
NO3H29C48 |
AB3C29D48 |
117.35 |
2.21 |
-7.98 |
-0.76 |
0 |
|
|
313142 |
126612205 |
1 |
NOH77C104 |
ABC77D104 |
300.99 |
2.35 |
-7.72 |
-0.87 |
0 |
|
|
313143 |
126612207 |
1 |
NOC48H53 |
ABC48D53 |
16.83 |
3.06 |
-7.72 |
-0.22 |
0 |
|
|
313144 |
126612214 |
1 |
NO3H41C74 |
AB3C41D74 |
486.18 |
5.79 |
-7.02 |
-0.96 |
0 |
|
|
313145 |
126612230 |
1 |
NOH53C70 |
ABC53D70 |
185.72 |
3.04 |
-7.76 |
-0.8 |
0 |
|
|
313146 |
126612244 |
1 |
ON3H27C42 |
AB3C27D42 |
170.11 |
1.95 |
-7.9 |
-0.66 |
0 |
|
|
313147 |
126612249 |
1 |
NOH33C38 |
ABC33D38 |
66.89 |
0.32 |
-8.26 |
-0.45 |
0 |
|
|
313148 |
126612254 |
1 |
NOH53C56 |
ABC53D56 |
74.13 |
1.12 |
-7.64 |
-0.53 |
0 |
|
|
313149 |
126612255 |
1 |
NOH53C66 |
ABC53D66 |
150.09 |
1.47 |
-7.58 |
-0.65 |
0 |
|
|
313150 |
126612257 |
1 |
NOH49C66 |
ABC49D66 |
194.71 |
2.42 |
-7.77 |
-0.45 |
0 |
|
|
313151 |
126612258 |
1 |
NOH57C86 |
ABC57D86 |
296.01 |
3.1 |
-7.54 |
-0.74 |
0 |
|
|
313152 |
126612259 |
1 |
NOH39C58 |
ABC39D58 |
307.47 |
3.6 |
-7.68 |
-0.57 |
0 |
|
|
313153 |
126612261 |
1 |
NOH53C74 |
ABC53D74 |
229.58 |
3.37 |
-7.72 |
-0.79 |
0 |
|
|
313154 |
126612263 |
1 |
NOH69C92 |
ABC69D92 |
253.67 |
2.48 |
-7.71 |
-0.83 |
0 |
|
|
313155 |
126612265 |
3 |
NC5H7 |
AB5C7 |
52.83 |
3.18 |
-9.98 |
-0.58 |
0 |
|
|
313156 |
126612270 |
1 |
ON3H31C42 |
AB3C31D42 |
165.45 |
3.2 |
-7.58 |
-0.32 |
0 |
|
|
313157 |
126612272 |
1 |
ON3H51C72 |
AB3C51D72 |
291.33 |
3.56 |
-7.36 |
-0.09 |
0 |
|
|
313158 |
126612274 |
1 |
ON3H47C58 |
AB3C47D58 |
179.97 |
4.49 |
-7.57 |
-0.19 |
0 |
|
|
313159 |
126612275 |
1 |
NOC11H21 |
ABC11D21 |
-88.06 |
3.81 |
-10.2 |
1.27 |
0 |
|
|
313160 |
126612304 |
1 |
OF3N6H21C24 |
AB3C6D21E24 |
-76.77 |
2.34 |
-9.22 |
-1.46 |
0 |
|
|
313161 |
126612328 |
2 |
O2C8H9 |
A2B8C9 |
-124.87 |
2.08 |
-8.41 |
-0.17 |
0 |
|
|
313162 |
126612341 |
2 |
O3C10H21 |
A3B10C21 |
-323.01 |
1.39 |
-9.63 |
1.4 |
0 |
|
|
313163 |
126612347 |
4 |
OC5H8 |
AB5C8 |
-186.08 |
2.96 |
-8.84 |
0.4 |
0 |
|
|
313164 |
126612352 |
1 |
O4C27H30 |
A4B27C30 |
-110.67 |
2.84 |
-8.8 |
0.13 |
0 |
|
|
313165 |
126612354 |
1 |
SN4C8H12 |
AB4C8D12 |
44.87 |
3.43 |
-8.9 |
-0.65 |
0 |
|
|
313166 |
126612355 |
1 |
O4C27H30 |
A4B27C30 |
-111.6 |
2.31 |
-8.77 |
0.16 |
0 |
|
|
313167 |
126612356 |
2 |
ON3C11H14 |
AB3C11D14 |
-6.71 |
4.62 |
-9.04 |
-1.01 |
0 |
|
|
313168 |
126612357 |
1 |
ON6C18H22 |
AB6C18D22 |
27.57 |
3.79 |
-8.93 |
-0.71 |
0 |
|
|
313169 |
126612358 |
1 |
IN4H11C14 |
AB4C11D14 |
131.07 |
4.68 |
-9.05 |
-3.1 |
0 |