List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
323111 |
126672623 |
1 |
NOC24H25 |
ABC24D25 |
-2.29 |
4.3 |
-8.78 |
-0.49 |
0 |
|
|
323112 |
126672631 |
1 |
OC17H20 |
AB17C20 |
-32.47 |
1.05 |
-9.01 |
0.13 |
0 |
|
|
323113 |
126672638 |
1 |
ClO2F3N7C26H27 |
AB2C3D7E26F27 |
-114.37 |
10.06 |
-8.76 |
-0.95 |
0 |
|
|
323114 |
126672642 |
1 |
ClN2F3O3H14C19 |
AB2C3D3E14F19 |
-181.64 |
2.76 |
-9.27 |
-1.39 |
0 |
|
|
323115 |
126672644 |
2 |
NO2C10H10 |
AB2C10D10 |
-87.74 |
3.58 |
-7.94 |
-0.61 |
0 |
|
|
323116 |
126672651 |
1 |
O2N3F5H24C25 |
A2B3C5D24E25 |
-289.25 |
8.75 |
-8.47 |
-0.71 |
0 |
|
|
323117 |
126672675 |
1 |
IO4H15C25 |
AB4C15D25 |
-34.24 |
2.74 |
-8.75 |
-1.2 |
0 |
|
|
323118 |
126672685 |
1 |
SN2P2O3H52C73 |
AB2C2D3E52F73 |
136.66 |
9.46 |
-8.24 |
-1.14 |
0 |
|
|
323119 |
126672688 |
2 |
NH13C16 |
AB13C16 |
123.76 |
2.77 |
-8.01 |
-0.34 |
0 |
|
|
323120 |
126672697 |
1 |
NO6C39H67 |
AB6C39D67 |
-373.21 |
6.37 |
-9.12 |
0.96 |
0 |
|
|
323121 |
126672705 |
1 |
O3N4C5H8 |
A3B4C5D8 |
-42.84 |
4.16 |
-9.42 |
-0.74 |
0 |
|
|
323122 |
126672708 |
1 |
N5O5C11H15 |
A5B5C11D15 |
-134.38 |
2.13 |
-9.3 |
-0.66 |
0 |
|
|
323123 |
126672720 |
1 |
NC28H51 |
AB28C51 |
-60.44 |
1.79 |
-8.11 |
1.42 |
0 |
|
|
323124 |
126672727 |
1 |
IO5H19C28 |
AB5C19D28 |
-83.9 |
5.45 |
-8.68 |
-0.88 |
0 |
|
|
323125 |
126672730 |
1 |
SN4H36C53 |
AB4C36D53 |
312.64 |
3.4 |
-7.96 |
-1.34 |
0 |
|
|
323126 |
126672735 |
1 |
NO2C6H11 |
AB2C6D11 |
-34.88 |
3.39 |
-9.93 |
0.29 |
0 |
|
|
323127 |
126672736 |
2 |
O2H21C25 |
A2B21C25 |
-54.42 |
1.93 |
-8.36 |
-0.89 |
0 |
|
|
323128 |
126672749 |
1 |
NPS2H26C40 |
ABC2D26E40 |
137.72 |
6.16 |
-7.89 |
-1.01 |
0 |
|
|
323129 |
126672752 |
1 |
NPS2H26C40 |
ABC2D26E40 |
140.64 |
5.91 |
-7.95 |
-0.97 |
0 |
|
|
323130 |
126672778 |
1 |
O2N3H15C18 |
A2B3C15D18 |
-10.75 |
3.84 |
-8.78 |
-0.59 |
0 |
|
|
323131 |
126672802 |
1 |
N3O3H19C20 |
A3B3C19D20 |
-48.72 |
3.66 |
-8.77 |
-0.45 |
0 |
|
|
323132 |
126672810 |
1 |
OSN3H11C16 |
ABC3D11E16 |
79.91 |
2.87 |
-8.98 |
-1.22 |
0 |
|
|
323133 |
126672821 |
1 |
N5C31H31 |
A5B31C31 |
128.6 |
3.23 |
-7.79 |
-0.25 |
0 |
|
|
323134 |
126672829 |
1 |
SO3N4C18H22 |
AB3C4D18E22 |
-22.1 |
4.57 |
-8.15 |
-0.89 |
0 |
|
|
323135 |
126672837 |
1 |
ON4H14C19 |
AB4C14D19 |
97.92 |
3.7 |
-9.25 |
-1.42 |
0 |
|
|
323136 |
126672839 |
2 |
ON2H8C10 |
AB2C8D10 |
30.54 |
6.07 |
-8.82 |
-1.09 |
0 |
|
|
323137 |
126672843 |
1 |
O2N4H18C21 |
A2B4C18D21 |
37.95 |
5.62 |
-8.9 |
-1.23 |
0 |
|
|
323138 |
126672844 |
1 |
OF3N4H15C21 |
AB3C4D15E21 |
-85.57 |
6.72 |
-8.82 |
-1.44 |
0 |
|
|
323139 |
126672863 |
1 |
O3N4H18C21 |
A3B4C18D21 |
34.26 |
6.21 |
-7.81 |
-1.79 |
0 |
|
|
323140 |
126672870 |
1 |
O14C59H96 |
A14B59C96 |
-765.98 |
6.67 |
-9.44 |
-0.99 |
0 |
|
|
323141 |
126672874 |
1 |
N3O3C19H21 |
A3B3C19D21 |
-51.34 |
3.87 |
-8.28 |
-0.56 |
0 |
|
|
323142 |
126672883 |
1 |
ON4H12C17 |
AB4C12D17 |
94.72 |
1.99 |
-9.01 |
-1.35 |
0 |
|
|
323143 |
126672886 |
1 |
FSN4C16H21 |
ABC4D16E21 |
2.88 |
1.37 |
-8.63 |
-0.32 |
0 |
|
|
323144 |
126672897 |
1 |
SO3N5H19C21 |
AB3C5D19E21 |
36.37 |
2.28 |
-8.64 |
-1.08 |
0 |
|
|
323145 |
126672918 |
1 |
O2N5C8H9 |
A2B5C8D9 |
50.17 |
2.37 |
-10.1 |
-1.78 |
0 |
|
|
323146 |
126672927 |
1 |
O2N5C24H25 |
A2B5C24D25 |
25.31 |
2.92 |
-8.94 |
-1.24 |
0 |
|
|
323147 |
126672930 |
1 |
O2N3H17C20 |
A2B3C17D20 |
40.22 |
5.19 |
-8.68 |
-0.96 |
0 |
|
|
323148 |
126672934 |
1 |
N3O4H15C20 |
A3B4C15D20 |
21.47 |
4.76 |
-7.93 |
-1.98 |
0 |
|
|
323149 |
126672937 |
2 |
ON2C11H12 |
AB2C11D12 |
-13.68 |
3.23 |
-8.33 |
-0.5 |
0 |
|
|
323150 |
126673017 |
1 |
ON5C13H13 |
AB5C13D13 |
68.88 |
4.75 |
-8.56 |
-0.76 |
0 |
|
|
323151 |
126673018 |
1 |
ClSN2O3H19C22 |
ABC2D3E19F22 |
-68.98 |
8.93 |
-9.04 |
-1.22 |
0 |
|
|
323152 |
126673023 |
1 |
ClN3O4H16C20 |
AB3C4D16E20 |
-64.77 |
7.23 |
-9.0 |
-1.41 |
0 |
|
|
323153 |
126673027 |
1 |
BrOSC11H13 |
ABCD11E13 |
-5.56 |
3.49 |
-9.24 |
-0.63 |
0 |
|
|
323154 |
126673030 |
1 |
ClO3N4H17C20 |
AB3C4D17E20 |
-34.35 |
7.14 |
-9.03 |
-1.14 |
0 |
|
|
323155 |
126673058 |
1 |
ClON2C7H17 |
ABC2D7E17 |
-78.95 |
9.01 |
-9.56 |
-0.06 |
0 |
|
|
323156 |
126673079 |
1 |
O2S2N4C21H32 |
A2B2C4D21E32 |
-52.79 |
4.38 |
-8.51 |
-0.74 |
0 |
|
|
323157 |
126673084 |
2 |
ON2H8C10 |
AB2C8D10 |
50.18 |
6.99 |
-9.32 |
-0.86 |
0 |
|
|
323158 |
126673096 |
1 |
ClN2O4C16H21 |
AB2C4D16E21 |
-185.55 |
1.95 |
-8.96 |
-0.73 |
0 |
|
|
323159 |
126673099 |
1 |
SO4N5C10H11 |
AB4C5D10E11 |
-43.1 |
9.97 |
-10.31 |
-2.25 |
0 |
|
|
323160 |
126673100 |
2 |
ON2H8C9 |
AB2C8D9 |
55.36 |
3.0 |
-8.86 |
-1.05 |
0 |
|
|
323161 |
126673128 |
1 |
SO3N5C27H33 |
AB3C5D27E33 |
-53.59 |
8.17 |
-8.82 |
-0.53 |
0 |
|
|
323162 |
126673153 |
1 |
O2N3H15C19 |
A2B3C15D19 |
43.25 |
6.49 |
-8.7 |
-1.03 |
0 |
|
|
323163 |
126673162 |
1 |
O2S2N7C16H17 |
A2B2C7D16E17 |
69.52 |
2.62 |
-8.49 |
-0.91 |
0 |
|
|
323164 |
126673174 |
1 |
SO2N5C21H21 |
AB2C5D21E21 |
56.96 |
6.44 |
-8.61 |
-0.81 |
0 |
|
|
323165 |
126673176 |
1 |
O5C17H22 |
A5B17C22 |
-214.73 |
3.98 |
-9.57 |
-0.3 |
0 |
|
|
323166 |
126673182 |
1 |
O2N5C22H23 |
A2B5C22D23 |
63.67 |
11.74 |
-7.55 |
-1.78 |
0 |
|
|
323167 |
126673193 |
1 |
SO2N4C16H20 |
AB2C4D16E20 |
15.13 |
5.97 |
-7.9 |
-0.86 |
0 |
|
|
323168 |
126673196 |
1 |
FO2N3H16C20 |
AB2C3D16E20 |
6.73 |
2.84 |
-8.22 |
-1.13 |
0 |
|
|
323169 |
126673197 |
1 |
O2N4H18C21 |
A2B4C18D21 |
28.1 |
3.12 |
-8.96 |
-1.16 |
0 |
|
|
323170 |
126673198 |
1 |
FO2N3H14C19 |
AB2C3D14E19 |
37.65 |
1.89 |
-8.16 |
-2.11 |
0 |
|
|
323171 |
126673201 |
1 |
N5C14H15 |
A5B14C15 |
94.35 |
4.59 |
-8.93 |
-0.96 |
0 |
|
|
323172 |
126673202 |
1 |
N5C14H15 |
A5B14C15 |
92.03 |
5.75 |
-9.03 |
-0.83 |
0 |
|
|
323173 |
126673204 |
2 |
OSN2C9H13 |
ABC2D9E13 |
-50.54 |
3.13 |
-9.2 |
-1.27 |
0 |
|
|
323174 |
126673213 |
1 |
ClN3O4C20H28 |
AB3C4D20E28 |
-203.01 |
3.35 |
-8.98 |
-0.76 |
0 |
|
|
323175 |
126673216 |
1 |
O2N5H17C18 |
A2B5C17D18 |
71.62 |
5.7 |
-8.06 |
-0.89 |
0 |
|
|
323176 |
126673218 |
1 |
N2O4C13H18 |
A2B4C13D18 |
-160.57 |
3.97 |
-8.89 |
0.11 |
0 |
|
|
323177 |
126673237 |
1 |
N2O4C17H26 |
A2B4C17D26 |
-165.15 |
6.92 |
-9.24 |
0.05 |
0 |
|
|
323178 |
126673240 |
1 |
SO2N6C11H18 |
AB2C6D11E18 |
22.3 |
4.28 |
-8.92 |
-0.9 |
0 |
|
|
323179 |
126673270 |
1 |
N2C19H40 |
A2B19C40 |
-67.74 |
0.08 |
-8.16 |
2.75 |
0 |
|
|
323180 |
126673271 |
1 |
OSF2N2H12C14 |
ABC2D2E12F14 |
-92.75 |
2.42 |
-9.11 |
-0.86 |
0 |
|
|
323181 |
126673278 |
1 |
O4C21H34 |
A4B21C34 |
-182.27 |
1.59 |
-8.48 |
0.23 |
0 |
|
|
323182 |
126673284 |
1 |
S2N4O4C19H20 |
A2B4C4D19E20 |
-92.47 |
9.35 |
-8.45 |
-1.42 |
0 |
|
|
323183 |
126673295 |
1 |
ON4H14C19 |
AB4C14D19 |
98.02 |
5.3 |
-9.1 |
-1.36 |
0 |
|
|
323184 |
126673303 |
1 |
FN4H11C17 |
AB4C11D17 |
91.03 |
1.84 |
-9.09 |
-1.26 |
0 |
|
|
323185 |
126673315 |
1 |
ClNSO3C22H22 |
ABCD3E22F22 |
-85.14 |
6.93 |
-8.84 |
-0.86 |
0 |