List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
68001 |
46507582 |
1 |
N2O4H16C17 |
A2B4C16D17 |
-68.11 |
1.5 |
-8.43 |
-0.21 |
0 |
|
|
68002 |
46507583 |
1 |
N2O5C18H18 |
A2B5C18D18 |
-105.15 |
4.17 |
-8.46 |
-0.27 |
0 |
|
|
68003 |
46507587 |
1 |
ClFOSN2H12C17 |
ABCDE2F12G17 |
-8.92 |
5.27 |
-8.82 |
-1.82 |
0 |
|
|
68004 |
46507588 |
1 |
BrO3N4C30H31 |
AB3C4D30E31 |
-64.23 |
2.62 |
-8.8 |
-0.58 |
0 |
|
|
68005 |
46507592 |
1 |
SO2N3H15C17 |
AB2C3D15E17 |
38.46 |
6.12 |
-8.29 |
-1.42 |
0 |
|
|
68006 |
46507594 |
1 |
FN2O4H13C18 |
AB2C4D13E18 |
-100.04 |
8.37 |
-8.9 |
-1.62 |
0 |
|
|
68007 |
46507595 |
1 |
ClN2O4H15C19 |
AB2C4D15E19 |
-71.0 |
7.35 |
-8.61 |
-1.55 |
0 |
|
|
68008 |
46507596 |
2 |
NO2H9C10 |
AB2C9D10 |
-72.44 |
5.76 |
-8.55 |
-1.46 |
0 |
|
|
68009 |
46507597 |
1 |
ClSN3O4H18C23 |
ABC3D4E18F23 |
-60.95 |
5.6 |
-9.11 |
-1.72 |
0 |
|
|
68010 |
46507598 |
1 |
N3O3H25C26 |
A3B3C25D26 |
-71.96 |
6.09 |
-8.63 |
-0.44 |
0 |
|
|
68011 |
46507601 |
1 |
F3N4O4H29C30 |
A3B4C4D29E30 |
-249.72 |
7.36 |
-8.68 |
-0.59 |
0 |
|
|
68012 |
46507602 |
1 |
N3O4C27H27 |
A3B4C27D27 |
-105.97 |
7.21 |
-8.57 |
-0.37 |
0 |
|
|
68013 |
46507603 |
1 |
ClN3O4H24C26 |
AB3C4D24E26 |
-113.94 |
5.54 |
-8.19 |
-0.68 |
0 |
|
|
68014 |
46507604 |
1 |
ClN3O5H24C27 |
AB3C5D24E27 |
-160.55 |
6.9 |
-9.17 |
-0.73 |
0 |
|
|
68015 |
46507605 |
1 |
ClN3O3H26C27 |
AB3C3D26E27 |
-83.7 |
5.6 |
-8.63 |
-0.53 |
0 |
|
|
68016 |
46507606 |
1 |
ClN2O5H15C19 |
AB2C5D15E19 |
-93.88 |
6.61 |
-8.7 |
-1.39 |
0 |
|
|
68017 |
46507608 |
1 |
BrN3O4H16C18 |
AB3C4D16E18 |
-35.9 |
8.28 |
-7.87 |
-1.99 |
0 |
|
|
68018 |
46507611 |
1 |
FN2O4H17C20 |
AB2C4D17E20 |
-104.36 |
5.76 |
-8.79 |
-1.49 |
0 |
|
|
68019 |
46507614 |
1 |
N2O5H18C20 |
A2B5C18D20 |
-94.15 |
7.3 |
-8.36 |
-1.44 |
0 |
|
|
68020 |
46507615 |
1 |
N2O3C18H18 |
A2B3C18D18 |
-43.7 |
2.81 |
-8.69 |
-0.34 |
0 |
|
|
68021 |
46507616 |
1 |
N3O3H23C25 |
A3B3C23D25 |
-66.47 |
4.82 |
-8.75 |
-0.42 |
0 |
|
|
68022 |
46507617 |
1 |
ClN3O3H22C25 |
AB3C3D22E25 |
-76.84 |
3.82 |
-8.79 |
-0.66 |
0 |
|
|
68023 |
46507620 |
1 |
ClSN2O3H13C19 |
ABC2D3E13F19 |
20.58 |
2.6 |
-8.87 |
-1.57 |
0 |
|
|
68024 |
46507621 |
1 |
FN2O4H13C17 |
AB2C4D13E17 |
-144.89 |
5.0 |
-8.98 |
-2.02 |
0 |
|
|
68025 |
46507622 |
1 |
N2O4C19H20 |
A2B4C19D20 |
-79.0 |
3.9 |
-8.74 |
-0.24 |
0 |
|
|
68026 |
46507623 |
1 |
ClFNSO6H23C28 |
ABCDE6F23G28 |
-203.88 |
6.51 |
-8.54 |
-0.97 |
0 |
|
|
68027 |
46507625 |
1 |
ClFNSO6H23C28 |
ABCDE6F23G28 |
-200.09 |
6.33 |
-9.02 |
-1.16 |
0 |
|
|
68028 |
46507627 |
2 |
FNO2H6C9 |
ABC2D6E9 |
-141.83 |
7.9 |
-8.98 |
-1.55 |
0 |
|
|
68029 |
46507628 |
2 |
FNO2H8C10 |
ABC2D8E10 |
-152.01 |
7.5 |
-8.96 |
-1.54 |
0 |
|
|
68030 |
46507629 |
2 |
FNO2H8C10 |
ABC2D8E10 |
-152.48 |
9.72 |
-8.91 |
-1.65 |
0 |
|
|
68031 |
46507631 |
1 |
NSO3H9C11 |
ABC3D9E11 |
-92.01 |
8.46 |
-9.46 |
-1.36 |
0 |
|
|
68032 |
46507632 |
2 |
FNO2H6C9 |
ABC2D6E9 |
-143.63 |
9.84 |
-8.94 |
-1.68 |
0 |
|
|
68033 |
46507633 |
1 |
F2N2O4H14C19 |
A2B2C4D14E19 |
-147.55 |
9.88 |
-8.93 |
-1.67 |
0 |
|
|
68034 |
46507635 |
1 |
N2O5H18C20 |
A2B5C18D20 |
-96.54 |
5.35 |
-8.56 |
-1.49 |
0 |
|
|
68035 |
46507637 |
1 |
ClN2O4H17C20 |
AB2C4D17E20 |
-68.74 |
6.06 |
-8.7 |
-1.5 |
0 |
|
|
68036 |
46507640 |
1 |
ClN2O4H17C20 |
AB2C4D17E20 |
-67.89 |
5.66 |
-8.82 |
-1.54 |
0 |
|
|
68037 |
46507641 |
1 |
ClN2O4H13C18 |
AB2C4D13E18 |
-59.68 |
6.03 |
-8.71 |
-1.51 |
0 |
|
|
68038 |
46507642 |
1 |
ClFOSN2H16C18 |
ABCDE2F16G18 |
-52.76 |
6.25 |
-8.6 |
-0.73 |
0 |
|
|
68039 |
46507644 |
1 |
BrN2O4H15C18 |
AB2C4D15E18 |
-106.3 |
4.82 |
-8.9 |
-2.04 |
0 |
|
|
68040 |
46507645 |
1 |
ClN2O5H15C18 |
AB2C5D15E18 |
-144.82 |
3.95 |
-8.63 |
-1.9 |
0 |
|
|
68041 |
46507646 |
1 |
SN2O3H10C11 |
AB2C3D10E11 |
-67.41 |
2.92 |
-8.85 |
-1.88 |
0 |
|
|
68042 |
46507647 |
1 |
ClFSO2N3H17C25 |
ABCD2E3F17G25 |
12.17 |
3.47 |
-9.05 |
-1.65 |
0 |
|
|
68043 |
46507650 |
1 |
N2O5H20C24 |
A2B5C20D24 |
-108.85 |
2.13 |
-8.33 |
-1.9 |
0 |
|
|
68044 |
46507653 |
1 |
SO2N3C19H19 |
AB2C3D19E19 |
-7.58 |
4.93 |
-8.66 |
-1.66 |
0 |
|
|
68045 |
46507655 |
1 |
SF2O2N3H13C17 |
AB2C2D3E13F17 |
-69.8 |
5.01 |
-9.1 |
-1.86 |
0 |
|
|
68046 |
46507656 |
1 |
SO2N3C19H19 |
AB2C3D19E19 |
0.8 |
4.73 |
-8.91 |
-1.85 |
0 |
|
|
68047 |
46507660 |
1 |
SN3O5H17C18 |
AB3C5D17E18 |
-147.41 |
4.78 |
-9.49 |
-0.9 |
0 |
|
|
68048 |
46507662 |
1 |
ClN2O4H15C18 |
AB2C4D15E18 |
-109.37 |
3.19 |
-9.55 |
-1.87 |
0 |
|
|
68049 |
46507664 |
2 |
NO2C9H9 |
AB2C9D9 |
-74.65 |
2.84 |
-8.42 |
-0.21 |
0 |
|
|
68050 |
46507665 |
1 |
NSO2H9C11 |
ABC2D9E11 |
-37.43 |
4.97 |
-8.83 |
-1.77 |
0 |