List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
13023 |
220027 |
1 |
NSC10H11 |
ABC10D11 |
44.8 |
3.29 |
-9.02 |
-0.18 |
0 |
|
|
13024 |
220028 |
1 |
SO4C14H18 |
AB4C14D18 |
-163.03 |
4.37 |
-9.06 |
-0.5 |
0 |
|
|
13025 |
220032 |
1 |
NSC10H11 |
ABC10D11 |
39.25 |
4.27 |
-8.93 |
-0.35 |
0 |
|
|
13026 |
220039 |
2 |
OC6H10 |
AB6C10 |
-117.39 |
5.34 |
-9.38 |
0.76 |
0 |
|
|
13027 |
220044 |
1 |
O2C13H20 |
A2B13C20 |
-92.91 |
1.51 |
-8.84 |
0.25 |
0 |
|
|
13028 |
220045 |
2 |
OC9H18 |
AB9C18 |
-171.81 |
4.47 |
-10.18 |
3.0 |
0 |
|
|
13029 |
220046 |
1 |
O3C11H14 |
A3B11C14 |
-127.0 |
5.28 |
-9.26 |
-0.06 |
0 |
|
|
13030 |
220066 |
1 |
OC16H34 |
AB16C34 |
-129.4 |
1.76 |
-10.18 |
2.9 |
0 |
|
|
13031 |
220082 |
2 |
ClNOH3C7 |
ABCD3E7 |
-2.66 |
1.45 |
-9.26 |
-1.25 |
0 |
|
|
13033 |
220131 |
3 |
O3C6H10 |
A3B6C10 |
-422.71 |
4.59 |
-10.16 |
0.16 |
0 |
|
|
13034 |
220174 |
1 |
SN2C10H10 |
AB2C10D10 |
50.87 |
1.59 |
-8.75 |
-0.35 |
0 |
|
|
13035 |
220200 |
1 |
O7C19H20 |
A7B19C20 |
-261.27 |
1.97 |
-10.05 |
-0.94 |
0 |
|
|
13036 |
220216 |
1 |
Cl6O7H12C18 |
A6B7C12D18 |
-270.09 |
2.95 |
-9.46 |
-1.4 |
0 |
|
|
13037 |
220224 |
1 |
PO3C4H11 |
AB3C4D11 |
-184.21 |
1.29 |
-10.96 |
0.89 |
0 |
|
|
13038 |
220225 |
3 |
NPCl2 |
ABC2 |
-167.32 |
0.02 |
-10.86 |
-1.18 |
0 |
|
|
13039 |
220247 |
1 |
SO4C6H12 |
AB4C6D12 |
-193.76 |
6.42 |
-10.48 |
0.27 |
0 |
|
|
13040 |
220271 |
1 |
NO2C8H17 |
AB2C8D17 |
-123.68 |
2.65 |
-9.77 |
1.04 |
0 |
|
|
13041 |
220295 |
1 |
O3H10C13 |
A3B10C13 |
-71.62 |
3.29 |
-9.31 |
-0.61 |
0 |
|
|
13042 |
220296 |
2 |
ClC5H6 |
AB5C6 |
-24.6 |
1.4 |
-9.25 |
-0.2 |
0 |
|
|
13043 |
220312 |
1 |
ClO3C10H11 |
AB3C10D11 |
-121.7 |
3.39 |
-9.37 |
-0.42 |
0 |
|
|
13044 |
220313 |
1 |
OI2H6C7 |
AB2C6D7 |
2.01 |
1.32 |
-9.12 |
-1.32 |
0 |
|
|
13045 |
220314 |
1 |
ClO2C10H11 |
AB2C10D11 |
-46.34 |
2.03 |
-8.44 |
-0.05 |
0 |
|
|
13046 |
220331 |
1 |
O2N3C10H11 |
A2B3C10D11 |
-30.37 |
4.39 |
-9.09 |
-1.06 |
0 |
|
|
13047 |
220347 |
1 |
O3C21H28 |
A3B21C28 |
-144.33 |
2.76 |
-9.34 |
-0.37 |
0 |
|
|
13048 |
220360 |
1 |
NO3C21H23 |
AB3C21D23 |
-91.17 |
7.34 |
-10.3 |
-1.21 |
0 |
|
|
13049 |
220368 |
1 |
ClN2O2H11C13 |
AB2C2D11E13 |
31.59 |
5.02 |
-10.32 |
-1.36 |
0 |
|
|
13050 |
220377 |
1 |
SO3C8H8 |
AB3C8D8 |
-85.41 |
5.08 |
-10.31 |
-0.87 |
0 |
|
|
13051 |
220379 |
1 |
Br2H8C9 |
A2B8C9 |
45.48 |
1.83 |
-9.61 |
-0.75 |
0 |
|
|
13052 |
220384 |
1 |
NO5C18H25 |
AB5C18D25 |
-149.63 |
8.55 |
-10.26 |
-1.22 |
0 |
|
|
13053 |
220389 |
1 |
N4O5H18C19 |
A4B5C18D19 |
6.11 |
3.92 |
-10.74 |
-1.6 |
0 |
|
|
13054 |
220391 |
1 |
N3O6H19C20 |
A3B6C19D20 |
-35.77 |
5.01 |
-10.66 |
-1.54 |
0 |
|
|
13055 |
220399 |
1 |
OH10C13 |
AB10C13 |
9.58 |
4.42 |
-8.85 |
-0.89 |
0 |
|
|
13056 |
220400 |
5 |
NC3H3 |
AB3C3 |
97.72 |
3.81 |
-9.12 |
-0.17 |
0 |
|
|
13057 |
220404 |
1 |
ON3C8H17 |
AB3C8D17 |
-50.12 |
4.41 |
-9.21 |
0.5 |
0 |
|
|
13058 |
220407 |
1 |
NO2H13C14 |
AB2C13D14 |
-29.81 |
4.74 |
-8.49 |
-0.38 |
0 |
|
|
13059 |
220439 |
1 |
NO2H11C12 |
AB2C11D12 |
-44.38 |
1.9 |
-9.02 |
-0.81 |
0 |
|
|
13060 |
220451 |
2 |
PO3C7H16 |
AB3C7D16 |
-426.99 |
4.01 |
-10.49 |
1.12 |
0 |
|
|
13061 |
220477 |
1 |
N3O3C14H15 |
A3B3C14D15 |
-89.84 |
5.49 |
-9.78 |
-0.48 |
0 |
|
|
13062 |
220479 |
1 |
N3O4C9H13 |
A3B4C9D13 |
-168.92 |
3.88 |
-9.8 |
-1.06 |
0 |
|
|
13063 |
220493 |
1 |
NOH13C17 |
ABC13D17 |
35.36 |
2.58 |
-9.37 |
-0.79 |
0 |
|
|
13064 |
220498 |
1 |
NOH15C18 |
ABC15D18 |
45.85 |
1.0 |
-8.49 |
-0.74 |
0 |
|
|
13065 |
220567 |
1 |
O3H16C25 |
A3B16C25 |
-7.74 |
1.2 |
-8.95 |
-1.4 |
0 |
|
|
13066 |
220588 |
2 |
N2C13H15 |
A2B13C15 |
102.91 |
5.25 |
-8.01 |
0.39 |
0 |
|
|
13067 |
220591 |
1 |
NSH7C8 |
ABC7D8 |
38.55 |
2.3 |
-8.32 |
-0.2 |
0 |
|
|
13068 |
220643 |
1 |
ClSO2C8H9 |
ABC2D8E9 |
-79.41 |
5.43 |
-9.96 |
-0.84 |
0 |
|
|
13069 |
220661 |
1 |
NOC12H21 |
ABC12D21 |
-76.71 |
4.29 |
-9.56 |
1.4 |
0 |
|
|
13070 |
220678 |
1 |
NO3C14H15 |
AB3C14D15 |
-78.32 |
6.18 |
-9.26 |
-1.14 |
0 |
|
|
13071 |
220693 |
1 |
ClNO3H10C12 |
ABC3D10E12 |
-104.92 |
2.86 |
-9.06 |
-1.29 |
0 |
|
|
13072 |
220697 |
1 |
OSN4H14C16 |
ABC4D14E16 |
58.0 |
4.34 |
-8.48 |
-0.83 |
0 |
|
|
13073 |
220726 |
2 |
OC9H9 |
AB9C9 |
-67.25 |
2.54 |
-8.82 |
-0.62 |
0 |