List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
83076 |
49857118 |
3 |
OC8H12 |
AB8C12 |
-168.95 |
2.52 |
-9.95 |
-0.48 |
0 |
|
|
83077 |
49857119 |
3 |
OC8H12 |
AB8C12 |
-170.72 |
4.38 |
-10.01 |
-0.52 |
0 |
|
|
83078 |
49857120 |
1 |
SiO3C30H50 |
AB3C30D50 |
-240.91 |
2.79 |
-8.65 |
-0.51 |
0 |
|
|
83079 |
49857121 |
1 |
SiO3C30H50 |
AB3C30D50 |
-239.49 |
1.67 |
-8.7 |
-0.54 |
0 |
|
|
83080 |
49857122 |
1 |
SiO3C30H50 |
AB3C30D50 |
-238.22 |
1.28 |
-8.72 |
-0.53 |
0 |
|
|
83081 |
49857123 |
1 |
O2F3N5C18H18 |
A2B3C5D18E18 |
-118.42 |
3.72 |
-9.38 |
-1.03 |
0 |
|
|
83082 |
49857124 |
1 |
F2O2N5C17H17 |
A2B2C5D17E17 |
-51.97 |
3.67 |
-9.32 |
-0.94 |
0 |
|
|
83083 |
49857125 |
2 |
ON3C9H9 |
AB3C9D9 |
75.64 |
2.36 |
-9.32 |
-0.95 |
0 |
|
|
83084 |
49857126 |
1 |
F3O3N5C18H18 |
A3B3C5D18E18 |
-161.31 |
3.38 |
-9.29 |
-0.89 |
0 |
|
|
83085 |
49857129 |
2 |
NOC9H9 |
ABC9D9 |
-4.41 |
2.56 |
-8.72 |
-0.83 |
0 |
|
|
83086 |
49857130 |
2 |
NOC9H9 |
ABC9D9 |
-4.14 |
1.65 |
-8.89 |
-0.79 |
0 |
|
|
83087 |
49857131 |
1 |
Cl2N2H12C19 |
A2B2C12D19 |
119.92 |
4.15 |
-8.45 |
-0.98 |
0 |
|
|
83088 |
49857132 |
1 |
SN2H14C18 |
AB2C14D18 |
141.44 |
0.91 |
-8.44 |
-0.76 |
0 |
|
|
83089 |
49857133 |
1 |
N2F3H13C20 |
A2B3C13D20 |
-27.08 |
6.58 |
-8.72 |
-1.07 |
0 |
|
|
83090 |
49857135 |
1 |
ClO3N5H24C27 |
AB3C5D24E27 |
19.73 |
6.2 |
-8.61 |
-1.23 |
0 |
|
|
83091 |
49857136 |
1 |
ClN2O3H7C10 |
AB2C3D7E10 |
-90.11 |
7.47 |
-9.99 |
-1.67 |
0 |
|
|
83092 |
49857137 |
1 |
ClO3N5H18C23 |
AB3C5D18E23 |
-31.54 |
8.68 |
-9.27 |
-1.61 |
0 |
|
|
83093 |
49857138 |
1 |
ClON3H8C9 |
ABC3D8E9 |
-9.01 |
1.76 |
-8.6 |
-0.94 |
0 |
|
|
83094 |
49857139 |
1 |
ClO2N5H20C23 |
AB2C5D20E23 |
9.54 |
4.07 |
-8.55 |
-0.98 |
0 |
|
|
83095 |
49857140 |
1 |
SO2N6H18C20 |
AB2C6D18E20 |
27.66 |
7.92 |
-8.54 |
-0.5 |
0 |
|
|
83096 |
49857141 |
1 |
OSN7H19C20 |
ABC7D19E20 |
61.26 |
6.73 |
-8.49 |
-0.45 |
0 |
|
|
83097 |
49857142 |
1 |
BrO3C12H13 |
AB3C12D13 |
-92.76 |
1.6 |
-8.46 |
-0.53 |
0 |
|
|
83098 |
49857143 |
1 |
BrFOH10C11 |
ABCD10E11 |
-66.17 |
1.67 |
-8.95 |
-0.7 |
0 |
|
|
83099 |
49857145 |
1 |
BrO2C13H13 |
AB2C13D13 |
-63.92 |
1.15 |
-8.66 |
-0.49 |
0 |
|
|
83100 |
49857146 |
1 |
BrNO3C15H16 |
ABC3D15E16 |
-106.32 |
4.01 |
-8.87 |
-0.7 |
0 |
|
|
83101 |
49857147 |
1 |
BrNO2C16H20 |
ABC2D16E20 |
-63.08 |
1.82 |
-8.66 |
-0.51 |
0 |
|
|
83102 |
49857148 |
1 |
O2C13H14 |
A2B13C14 |
-51.69 |
2.1 |
-8.39 |
-0.28 |
0 |
|
|
83103 |
49857149 |
1 |
OC13H14 |
AB13C14 |
-4.18 |
1.48 |
-8.45 |
-0.31 |
0 |
|
|
83104 |
49857150 |
2 |
OC7H8 |
AB7C8 |
-47.6 |
1.65 |
-8.24 |
-0.13 |
0 |
|
|
83105 |
49857151 |
3 |
OC5H6 |
AB5C6 |
-79.77 |
2.48 |
-7.93 |
-0.26 |
0 |
|
|
83106 |
49857152 |
1 |
SF2N5O9C38H43 |
AB2C5D9E38F43 |
-393.84 |
2.68 |
-9.12 |
-0.81 |
0 |
|
|
83107 |
49857153 |
2 |
N2O4C18H21 |
A2B4C18D21 |
-287.32 |
10.7 |
-9.26 |
-1.02 |
0 |
|
|
83108 |
49857154 |
1 |
SN5O9C40H49 |
AB5C9D40E49 |
-303.21 |
9.47 |
-9.02 |
-1.2 |
0 |
|
|
83109 |
49857156 |
1 |
SF2N4O9C40H46 |
AB2C4D9E40F46 |
-398.1 |
2.04 |
-8.97 |
-0.7 |
0 |
|
|
83110 |
49857157 |
1 |
SN4O9C41H48 |
AB4C9D41E48 |
-278.13 |
8.26 |
-8.51 |
-0.57 |
0 |
|
|
83111 |
49857158 |
1 |
O9N19C50H75 |
A9B19C50D75 |
-351.59 |
6.09 |
-8.37 |
-0.13 |
0 |
|
|
83112 |
49857159 |
1 |
O11N16C49H70 |
A11B16C49D70 |
-454.15 |
9.88 |
-8.35 |
-0.17 |
0 |
|
|
83116 |
49857166 |
1 |
PN2H26C32 |
AB2C26D32 |
173.56 |
2.37 |
0.0 |
0.0 |
0 |
|
|
83117 |
49857167 |
1 |
N2O20C85H136 |
A2B20C85D136 |
-945.09 |
11.31 |
-8.54 |
0.39 |
0 |
|
|
83118 |
49857168 |
1 |
NO10C42H67 |
AB10C42D67 |
-469.82 |
7.23 |
-9.03 |
-0.05 |
0 |
|
|
83119 |
49857170 |
1 |
ON7C25H27 |
AB7C25D27 |
63.59 |
4.15 |
-8.36 |
-0.32 |
0 |
|
|
83120 |
49857171 |
1 |
N4O13C81H152 |
A4B13C81D152 |
-851.45 |
1.88 |
-9.58 |
-0.19 |
0 |
|
|
83121 |
49857174 |
1 |
O4N9H41C44 |
A4B9C41D44 |
15.62 |
4.76 |
-8.64 |
-0.63 |
0 |
|
|
83122 |
49857175 |
1 |
O4N9H41C44 |
A4B9C41D44 |
22.28 |
8.53 |
-8.84 |
-0.66 |
0 |
|
|
83123 |
49857176 |
1 |
O5N8C42H42 |
A5B8C42D42 |
-57.69 |
3.33 |
-8.78 |
-0.55 |
0 |
|
|
83124 |
49857177 |
1 |
NSO13C43H53 |
ABC13D43E53 |
-488.02 |
5.21 |
-9.3 |
-1.09 |
0 |
|
|
83125 |
49857178 |
1 |
NSO13C44H55 |
ABC13D44E55 |
-491.88 |
8.31 |
-9.35 |
-1.0 |
0 |
|
|
83126 |
49857181 |
1 |
FN2O2C16H17 |
AB2C2D16E17 |
-93.48 |
1.78 |
-9.28 |
-0.43 |
0 |
|
|
83127 |
49857182 |
2 |
ClNOC5H6 |
ABCD5E6 |
-91.27 |
4.7 |
-9.36 |
-0.35 |
0 |
|
|
83128 |
49857183 |
1 |
ClN2O2C17H19 |
AB2C2D17E19 |
-61.67 |
2.79 |
-9.36 |
-0.17 |
0 |
|
|
83129 |
49857184 |
1 |
ClO2S3N5C17H18 |
AB2C3D5E17F18 |
20.08 |
1.58 |
-8.57 |
-1.18 |
0 |
|
|
83130 |
49857185 |
1 |
O20C33H40 |
A20B33C40 |
-790.33 |
5.02 |
-8.53 |
-1.02 |
0 |
|
|
83134 |
49857191 |
1 |
N5O10C25H33 |
A5B10C25D33 |
-401.9 |
4.24 |
-9.1 |
-0.95 |
0 |
|
|
83135 |
49857192 |
1 |
OF4N6H24C27 |
AB4C6D24E27 |
-77.23 |
6.94 |
-9.22 |
-1.07 |
0 |
|
|
83136 |
49857193 |
1 |
OF4N6H24C27 |
AB4C6D24E27 |
-78.07 |
9.22 |
-9.23 |
-1.08 |
0 |
|
|
83137 |
49857194 |
1 |
OF4N6H26C28 |
AB4C6D26E28 |
-85.59 |
1.63 |
-9.23 |
-1.1 |
0 |
|
|
83138 |
49857195 |
1 |
OF4N6H26C28 |
AB4C6D26E28 |
-83.71 |
6.02 |
-9.27 |
-1.13 |
0 |
|
|
83139 |
49857197 |
2 |
ON4C12H12 |
AB4C12D12 |
95.88 |
12.53 |
-8.81 |
-1.5 |
0 |
|
|
83140 |
49857198 |
2 |
ON3H11C12 |
AB3C11D12 |
72.73 |
6.52 |
-8.94 |
-1.56 |
0 |
|
|
83141 |
49857200 |
1 |
N5C9H17 |
A5B9C17 |
31.02 |
4.64 |
-8.68 |
0.36 |
0 |
|
|
83142 |
49857201 |
2 |
FSN2O2C11H14 |
ABC2D2E11F14 |
-239.06 |
7.92 |
-8.78 |
-0.9 |
0 |
|
|
83143 |
49857202 |
1 |
FS2N4O4C22H29 |
AB2C4D4E22F29 |
-184.8 |
6.7 |
-9.13 |
-1.31 |
0 |
|
|
83144 |
49857203 |
1 |
FS2O3N5C17H20 |
AB2C3D5E17F20 |
-122.36 |
4.61 |
-9.51 |
-0.93 |
0 |
|
|
83145 |
49857204 |
1 |
F2S3N4O4C16H18 |
A2B3C4D4E16F18 |
-195.99 |
5.21 |
-9.31 |
-0.91 |
0 |
|
|
83146 |
49857205 |
1 |
SO2N5C17H17 |
AB2C5D17E17 |
14.54 |
3.45 |
-9.31 |
-1.66 |
0 |
|
|
83147 |
49857206 |
1 |
SO2N5C18H19 |
AB2C5D18E19 |
14.03 |
5.99 |
-9.22 |
-1.51 |
0 |
|
|
83148 |
49857208 |
1 |
SO2N5C18H19 |
AB2C5D18E19 |
11.49 |
3.29 |
-9.21 |
-1.67 |
0 |
|
|
83149 |
49857210 |
1 |
SO2N5C17H19 |
AB2C5D17E19 |
-2.76 |
5.3 |
-9.25 |
-1.34 |
0 |
|
|
83150 |
49857211 |
1 |
SO2N5C18H21 |
AB2C5D18E21 |
-3.57 |
5.56 |
-9.26 |
-1.31 |
0 |
|
|
83151 |
49857212 |
1 |
O2N4C25H26 |
A2B4C25D26 |
32.94 |
4.63 |
-8.37 |
-0.16 |
0 |
|
|
83152 |
49857215 |
1 |
O2N4C31H34 |
A2B4C31D34 |
11.88 |
9.57 |
-9.01 |
-0.3 |
0 |
|
|
83153 |
49857217 |
1 |
ON5C23H25 |
AB5C23D25 |
82.23 |
4.47 |
-8.57 |
-0.18 |
0 |
|
|
83154 |
49857218 |
1 |
S2N3O8H19C26 |
A2B3C8D19E26 |
-97.12 |
9.61 |
-9.66 |
-2.11 |
0 |
|
|
83155 |
49857219 |
1 |
N2O2C25H32 |
A2B2C25D32 |
-47.96 |
4.13 |
-8.21 |
-0.35 |
0 |
|
|
83156 |
49857220 |
1 |
N2O3C19H28 |
A2B3C19D28 |
-103.14 |
5.95 |
-8.87 |
-0.28 |
0 |
|
|
83157 |
49857221 |
1 |
O2N3C23H37 |
A2B3C23D37 |
-79.08 |
2.47 |
-8.36 |
-0.17 |
0 |
|
|
83158 |
49857222 |
1 |
O2N3C25H33 |
A2B3C25D33 |
-31.51 |
5.19 |
-8.17 |
-0.28 |
0 |
|
|
83159 |
49857223 |
1 |
O2N3C26H35 |
A2B3C26D35 |
-34.76 |
4.23 |
-8.11 |
-0.42 |
0 |
|
|
83160 |
49857224 |
2 |
NOC11H17 |
ABC11D17 |
-81.69 |
7.39 |
-8.5 |
-0.22 |
0 |
|
|
83161 |
49857225 |
2 |
NOC11H17 |
ABC11D17 |
-85.2 |
1.28 |
-8.83 |
-0.22 |
0 |
|
|
83162 |
49857228 |
1 |
ON6H12C16 |
AB6C12D16 |
118.02 |
8.29 |
-8.96 |
-1.64 |
0 |
|
|
83163 |
49857229 |
1 |
ION6H11C16 |
ABC6D11E16 |
140.73 |
9.06 |
-9.03 |
-1.64 |
0 |
|
|
83164 |
49857230 |
1 |
ClO4N6C22H23 |
AB4C6D22E23 |
-25.28 |
3.2 |
-8.85 |
-1.06 |
0 |
|
|
83165 |
49857231 |
1 |
ClO2N6H19C21 |
AB2C6D19E21 |
73.6 |
7.23 |
-8.72 |
-1.39 |
0 |
|
|
83166 |
49857232 |
1 |
N4O4C27H28 |
A4B4C27D28 |
-45.34 |
8.22 |
-8.8 |
-0.89 |
0 |
|
|
83167 |
49857233 |
1 |
N3O3H23C25 |
A3B3C23D25 |
-28.48 |
5.64 |
-9.09 |
-1.18 |
0 |
|
|
83168 |
49857237 |
1 |
N2Br3O3H13C22 |
A2B3C3D13E22 |
-1.86 |
4.23 |
-9.64 |
-1.54 |
0 |
|
|
83169 |
49857238 |
1 |
BrClN2O3H14C22 |
ABC2D3E14F22 |
-15.88 |
5.04 |
-9.52 |
-1.42 |
0 |
|
|
83170 |
49857239 |
1 |
N2O3H20C24 |
A2B3C20D24 |
-30.66 |
9.13 |
-9.4 |
-1.23 |
0 |
|
|
83171 |
49857240 |
1 |
OF2N5C21H21 |
AB2C5D21E21 |
-46.82 |
2.51 |
-8.62 |
-0.29 |
0 |
|
|
83172 |
49857241 |
1 |
OF2N5C24H25 |
AB2C5D24E25 |
-52.71 |
4.97 |
-8.64 |
-0.22 |
0 |
|
|
83173 |
49857242 |
1 |
OF2N5C21H21 |
AB2C5D21E21 |
-53.19 |
3.19 |
-8.81 |
-0.37 |
0 |
|
|
83174 |
49857243 |
1 |
OF2N5C22H23 |
AB2C5D22E23 |
-62.24 |
3.52 |
-8.82 |
-0.27 |
0 |
|
|
83175 |
49857244 |
1 |
OF2N5H19C20 |
AB2C5D19E20 |
-48.1 |
4.39 |
-8.85 |
-0.3 |
0 |
|
|
83176 |
49857245 |
1 |
FON5C23H26 |
ABC5D23E26 |
-22.5 |
3.7 |
-8.59 |
-0.21 |
0 |
|
|
83177 |
49857247 |
1 |
N2F3O4C15H15 |
A2B3C4D15E15 |
-304.49 |
1.65 |
-9.84 |
-1.17 |
0 |
|
|
83178 |
49857248 |
1 |
N2F3O3C16H17 |
A2B3C3D16E17 |
-261.73 |
2.27 |
-9.56 |
-0.8 |
0 |
|
|
83179 |
49857249 |
1 |
N2F3O4C16H17 |
A2B3C4D16E17 |
-311.98 |
2.91 |
-9.59 |
-0.88 |
0 |
|
|
83180 |
49857250 |
1 |
N2O5C19H28 |
A2B5C19D28 |
-252.87 |
4.11 |
-8.88 |
0.04 |
0 |
|
|
83181 |
49857251 |
1 |
BrN2O5C24H27 |
AB2C5D24E27 |
-197.23 |
6.95 |
-9.07 |
-0.46 |
0 |