List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
201145 |
79495736 |
5 |
OC3H4 |
AB3C4 |
-179.61 |
3.3 |
-8.81 |
-0.56 |
0 |
|
|
201146 |
79495751 |
1 |
O3C9H16 |
A3B9C16 |
-109.78 |
4.19 |
-10.12 |
1.49 |
0 |
|
|
201147 |
79495752 |
1 |
SO3C11H18 |
AB3C11D18 |
-127.83 |
3.15 |
-8.78 |
0.21 |
0 |
|
|
201148 |
79495753 |
1 |
O3C17H28 |
A3B17C28 |
-154.93 |
2.92 |
-9.03 |
0.51 |
0 |
|
|
201149 |
79495836 |
1 |
N2O3C12H18 |
A2B3C12D18 |
-107.61 |
2.46 |
-8.83 |
-0.13 |
0 |
|
|
201150 |
79495954 |
1 |
NO2C12H25 |
AB2C12D25 |
-124.59 |
1.48 |
-9.44 |
1.89 |
0 |
|
|
201151 |
79495985 |
1 |
NO3C15H25 |
AB3C15D25 |
-122.46 |
3.95 |
-8.5 |
0.33 |
0 |
|
|
201152 |
79496138 |
1 |
N2O3C14H24 |
A2B3C14D24 |
-109.91 |
4.38 |
-9.08 |
0.46 |
0 |
|
|
201153 |
79496158 |
1 |
FNO2C13H20 |
ABC2D13E20 |
-130.89 |
1.3 |
-9.28 |
0.01 |
0 |
|
|
201154 |
79496404 |
1 |
BrON2C11H11 |
ABC2D11E11 |
49.86 |
1.43 |
-9.55 |
-0.26 |
0 |
|
|
201155 |
79496405 |
1 |
OCl2N2H10C11 |
AB2C2D10E11 |
31.84 |
2.63 |
-9.51 |
-0.52 |
0 |
|
|
201156 |
79496443 |
1 |
NO2C15H33 |
AB2C15D33 |
-148.57 |
4.15 |
-9.19 |
1.74 |
0 |
|
|
201157 |
79496479 |
1 |
SN4C11H18 |
AB4C11D18 |
36.97 |
3.72 |
-9.08 |
-0.36 |
0 |
|
|
201158 |
79496957 |
1 |
OF3N5C12H12 |
AB3C5D12E12 |
-138.18 |
8.23 |
-9.11 |
-0.8 |
0 |
|
|
201159 |
79497172 |
1 |
FSO2N5H8C12 |
ABC2D5E8F12 |
11.61 |
3.39 |
-10.37 |
-1.66 |
0 |
|
|
201160 |
79497656 |
1 |
ON3C15H21 |
AB3C15D21 |
15.58 |
3.47 |
-8.68 |
0.25 |
0 |
|
|
201161 |
79497657 |
1 |
F3N3C14H16 |
A3B3C14D16 |
-104.36 |
5.98 |
-9.02 |
-0.56 |
0 |
|
|
201162 |
79498579 |
1 |
N3C11H23 |
A3B11C23 |
-19.0 |
2.74 |
-8.76 |
1.24 |
0 |
|
|
201163 |
79499133 |
1 |
O2S2N5C11H19 |
A2B2C5D11E19 |
-40.78 |
5.33 |
-8.71 |
-0.74 |
0 |
|
|
201164 |
79499552 |
1 |
FON3C16H16 |
ABC3D16E16 |
-22.61 |
3.06 |
-8.83 |
-0.17 |
0 |
|
|
201165 |
79499553 |
1 |
SO3N6C8H14 |
AB3C6D8E14 |
-18.52 |
11.69 |
-9.05 |
-1.07 |
0 |
|
|
201166 |
79499677 |
1 |
OSN5C11H17 |
ABC5D11E17 |
-10.99 |
2.6 |
-8.91 |
-0.72 |
0 |
|
|
201167 |
79499678 |
1 |
SO2N5C12H13 |
AB2C5D12E13 |
-8.01 |
2.71 |
-8.8 |
-0.83 |
0 |
|
|
201168 |
79499679 |
1 |
OSN5C12H19 |
ABC5D12E19 |
-12.59 |
1.33 |
-8.9 |
-0.72 |
0 |
|
|
201169 |
79499871 |
1 |
N3C18H19 |
A3B18C19 |
60.66 |
2.29 |
-8.9 |
0.06 |
0 |
|
|
201170 |
79500045 |
1 |
ClN3C17H18 |
AB3C17D18 |
52.52 |
2.94 |
-8.77 |
-0.15 |
0 |
|
|
201171 |
79500046 |
1 |
OSCl2N4H10C12 |
ABC2D4E10F12 |
18.55 |
1.1 |
-8.96 |
-1.17 |
0 |
|
|
201172 |
79500047 |
1 |
OSN4C11H18 |
ABC4D11E18 |
-19.43 |
0.89 |
-8.91 |
-0.77 |
0 |
|
|
201173 |
79500048 |
1 |
OSN4C11H18 |
ABC4D11E18 |
-19.42 |
0.91 |
-8.91 |
-0.78 |
0 |
|
|
201174 |
79500943 |
1 |
ON3C17H25 |
AB3C17D25 |
-18.95 |
3.46 |
-8.72 |
0.09 |
0 |
|
|
201175 |
79500996 |
1 |
O2N3C16H23 |
A2B3C16D23 |
-55.35 |
4.14 |
-8.5 |
0.17 |
0 |
|
|
201176 |
79500997 |
4 |
NC3H4 |
AB3C4 |
62.52 |
5.41 |
-8.75 |
-0.45 |
0 |
|
|
201177 |
79500998 |
4 |
NC3H4 |
AB3C4 |
62.54 |
5.16 |
-8.93 |
-0.37 |
0 |
|
|
201178 |
79500999 |
1 |
ON3C17H25 |
AB3C17D25 |
-19.53 |
2.62 |
-8.78 |
0.28 |
0 |
|
|
201179 |
79501581 |
1 |
BrN3C17H24 |
AB3C17D24 |
19.33 |
3.84 |
-8.82 |
-0.21 |
0 |
|
|
201180 |
79502018 |
1 |
O2N3C13H21 |
A2B3C13D21 |
-95.69 |
4.26 |
-9.75 |
-0.65 |
0 |
|
|
201181 |
79502032 |
1 |
O2N3C12H19 |
A2B3C12D19 |
-84.88 |
4.24 |
-9.82 |
-0.71 |
0 |
|
|
201182 |
79502033 |
1 |
O2N3C9H15 |
A2B3C9D15 |
-79.64 |
4.41 |
-9.91 |
-0.76 |
0 |
|
|
201183 |
79502546 |
1 |
ClN4H7C8 |
AB4C7D8 |
83.89 |
3.77 |
-8.91 |
-0.92 |
0 |
|
|
201184 |
79503122 |
1 |
IOSN4H9C11 |
ABCD4E9F11 |
51.53 |
1.94 |
-8.98 |
-1.36 |
0 |
|
|
201185 |
79503126 |
1 |
OSN5C11H11 |
ABC5D11E11 |
32.23 |
3.05 |
-9.09 |
-1.26 |
0 |
|
|
201186 |
79503172 |
1 |
ON5C12H21 |
AB5C12D21 |
-24.38 |
5.08 |
-8.83 |
0.57 |
0 |
|
|
201187 |
79503287 |
1 |
OSN5H9C10 |
ABC5D9E10 |
68.57 |
8.85 |
-9.8 |
-1.22 |
0 |
|
|
201188 |
79503401 |
1 |
BrSO2N4H9C11 |
ABC2D4E9F11 |
27.58 |
0.9 |
-10.09 |
-1.26 |
0 |
|
|
201189 |
79503402 |
1 |
SO2N4C13H14 |
AB2C4D13E14 |
3.45 |
2.65 |
-9.65 |
-0.73 |
0 |
|
|
201190 |
79503477 |
1 |
ON4C11H16 |
AB4C11D16 |
5.07 |
5.53 |
-9.61 |
-0.34 |
0 |
|
|
201191 |
79503635 |
1 |
SF2O2N4C5H8 |
AB2C2D4E5F8 |
-128.08 |
3.73 |
-9.41 |
-0.82 |
0 |
|
|
201192 |
79503639 |
1 |
SO2N5C9H11 |
AB2C5D9E11 |
1.07 |
6.17 |
-8.9 |
-1.34 |
0 |
|
|
201193 |
79503773 |
1 |
SO2N5C7H7 |
AB2C5D7E7 |
24.29 |
5.97 |
-9.87 |
-1.4 |
0 |
|
|
201194 |
79503774 |
1 |
S2N4O4C9H12 |
A2B4C4D9E12 |
-92.57 |
8.21 |
-10.31 |
-1.1 |
0 |