List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
216973 |
85087057 |
1 |
OSN3C11H12 |
ABC3D11E12 |
61.39 |
4.77 |
0.0 |
0.0 |
0 |
|
|
216974 |
85087059 |
1 |
BrOC17H21 |
ABC17D21 |
-29.59 |
3.01 |
-9.46 |
-0.28 |
0 |
|
|
216975 |
85087060 |
1 |
NO7C15H15 |
AB7C15D15 |
-210.27 |
4.75 |
-9.48 |
-1.0 |
0 |
|
|
216976 |
85087064 |
1 |
NO5C17H23 |
AB5C17D23 |
-185.65 |
3.53 |
-9.84 |
-0.18 |
0 |
|
|
216977 |
85087065 |
1 |
N3O4C16H23 |
A3B4C16D23 |
-138.76 |
0.36 |
-8.39 |
-0.47 |
0 |
|
|
216978 |
85087066 |
1 |
ON5C18H23 |
AB5C18D23 |
61.78 |
2.21 |
-8.93 |
0.09 |
0 |
|
|
216979 |
85087067 |
1 |
NSO4C16H19 |
ABC4D16E19 |
-131.25 |
6.24 |
-9.82 |
-0.64 |
0 |
|
|
216980 |
85087069 |
1 |
NO4C18H27 |
AB4C18D27 |
-200.57 |
3.56 |
-9.42 |
0.25 |
0 |
|
|
216981 |
85087070 |
1 |
NO4C18H27 |
AB4C18D27 |
-196.57 |
2.09 |
-9.4 |
0.01 |
0 |
|
|
216982 |
85087072 |
1 |
NOC22H27 |
ABC22D27 |
6.18 |
3.94 |
-9.47 |
-0.29 |
0 |
|
|
216983 |
85087074 |
1 |
ClNO2S2H8C14 |
ABC2D2E8F14 |
-23.68 |
5.35 |
-9.2 |
-1.76 |
0 |
|
|
216984 |
85087075 |
1 |
ClNO2S2H8C14 |
ABC2D2E8F14 |
-21.86 |
3.04 |
-9.19 |
-1.7 |
0 |
|
|
216985 |
85087076 |
1 |
OCl2N3H13C15 |
AB2C3D13E15 |
45.66 |
2.26 |
-9.07 |
-0.42 |
0 |
|
|
216986 |
85087077 |
1 |
Cl2N5H13C14 |
A2B5C13D14 |
73.21 |
3.71 |
-8.32 |
-0.28 |
0 |
|
|
216987 |
85087078 |
1 |
BO5C17H26 |
AB5C17D26 |
-197.88 |
2.46 |
0.0 |
0.0 |
0 |
|
|
216988 |
85087079 |
1 |
SF3O7C9H13 |
AB3C7D9E13 |
-453.43 |
2.8 |
-10.66 |
-1.53 |
0 |
|
|
216989 |
85087080 |
1 |
F3O5C14H17 |
A3B5C14D17 |
-383.49 |
4.17 |
-10.95 |
0.11 |
0 |
|
|
216990 |
85087081 |
1 |
O3N4H12C17 |
A3B4C12D17 |
37.21 |
2.63 |
-10.02 |
-3.24 |
0 |
|
|
216991 |
85087082 |
1 |
O6C17H22 |
A6B17C22 |
-255.42 |
7.49 |
-10.2 |
-0.58 |
0 |
|
|
216992 |
85087083 |
1 |
O6C17H22 |
A6B17C22 |
-233.43 |
6.47 |
-8.74 |
-0.16 |
0 |
|
|
216993 |
85087085 |
2 |
ON2C9H9 |
AB2C9D9 |
64.18 |
2.99 |
-9.54 |
-1.59 |
0 |
|
|
216994 |
85087087 |
1 |
ON4C19H22 |
AB4C19D22 |
31.6 |
3.36 |
-8.48 |
-0.26 |
0 |
|
|
216995 |
85087091 |
1 |
ClON2H15C19 |
ABC2D15E19 |
79.81 |
1.7 |
-9.34 |
-0.74 |
0 |
|
|
216996 |
85087092 |
1 |
BrPO4C11H16 |
ABC4D11E16 |
-196.11 |
3.14 |
-9.87 |
-0.5 |
0 |
|
|
216997 |
85087093 |
1 |
N3O7C13H13 |
A3B7C13D13 |
-15.01 |
4.95 |
-9.65 |
-2.06 |
0 |
|
|
216998 |
85087097 |
1 |
O4N5C14H21 |
A4B5C14D21 |
-111.19 |
4.86 |
-9.65 |
-1.44 |
0 |
|
|
216999 |
85087098 |
1 |
O2N3C19H21 |
A2B3C19D21 |
-51.39 |
2.49 |
-8.55 |
-0.08 |
0 |
|
|
217000 |
85087101 |
1 |
NO2C21H25 |
AB2C21D25 |
-34.2 |
2.99 |
-8.29 |
0.29 |
0 |
|
|
217001 |
85087102 |
1 |
NSO3C17H25 |
ABC3D17E25 |
-49.66 |
3.96 |
-9.13 |
-1.51 |
0 |
|
|
217002 |
85087103 |
1 |
SN3C19H21 |
AB3C19D21 |
81.05 |
2.32 |
-7.81 |
-0.52 |
0 |
|
|
217003 |
85087106 |
1 |
ClON3H14C18 |
ABC3D14E18 |
47.05 |
5.23 |
-8.82 |
-1.07 |
0 |
|
|
217004 |
85087107 |
2 |
SeC6H11 |
AB6C11 |
-1.48 |
2.3 |
-8.3 |
-1.56 |
0 |
|
|
217005 |
85087109 |
1 |
BrNSC15H18 |
ABCD15E18 |
-4.11 |
4.09 |
-8.8 |
-0.34 |
0 |
|
|
217006 |
85087110 |
1 |
F3O3H15C17 |
A3B3C15D17 |
-219.32 |
4.58 |
-8.78 |
-0.34 |
0 |
|
|
217007 |
85087111 |
1 |
O3N6H14C15 |
A3B6C14D15 |
88.68 |
3.36 |
-8.95 |
-2.54 |
0 |
|
|
217008 |
85087113 |
1 |
N2O6C15H20 |
A2B6C15D20 |
-105.0 |
5.39 |
-11.32 |
-2.26 |
0 |
|
|
217009 |
85087114 |
2 |
NO2H8C9 |
AB2C8D9 |
-54.42 |
3.84 |
-9.31 |
-0.03 |
0 |
|
|
217010 |
85087115 |
1 |
N2O5C16H26 |
A2B5C16D26 |
-240.12 |
6.04 |
-9.24 |
-0.31 |
0 |
|
|
217011 |
85087116 |
2 |
NSO3C5H8 |
ABC3D5E8 |
-221.16 |
8.77 |
-9.58 |
-0.42 |
0 |
|
|
217012 |
85087117 |
1 |
ON6C17H20 |
AB6C17D20 |
95.47 |
3.69 |
-8.38 |
-1.86 |
0 |
|
|
217013 |
85087118 |
1 |
SN2O4C15H20 |
AB2C4D15E20 |
-142.49 |
9.51 |
-9.15 |
-0.69 |
0 |
|
|
217014 |
85087120 |
1 |
O5C18H28 |
A5B18C28 |
-235.38 |
2.07 |
-9.42 |
0.29 |
0 |
|
|
217015 |
85087121 |
1 |
O5C18H28 |
A5B18C28 |
-201.98 |
4.17 |
-8.6 |
-0.78 |
0 |
|
|
217016 |
85087123 |
2 |
NOC10H12 |
ABC10D12 |
-48.89 |
6.17 |
-8.48 |
-0.84 |
0 |
|
|
217017 |
85087124 |
2 |
NOC10H12 |
ABC10D12 |
-61.17 |
3.18 |
-8.98 |
-0.52 |
0 |
|
|
217018 |
85087125 |
1 |
SN2O3C16H24 |
AB2C3D16E24 |
-133.16 |
2.42 |
-9.05 |
-0.42 |
0 |
|
|
217019 |
85087126 |
1 |
O4C19H32 |
A4B19C32 |
-226.45 |
2.95 |
-10.12 |
2.27 |
0 |
|
|
217020 |
85087127 |
1 |
O3C20H36 |
A3B20C36 |
-201.74 |
4.17 |
-9.49 |
0.4 |
0 |
|
|
217021 |
85087128 |
1 |
O3C20H36 |
A3B20C36 |
-181.69 |
1.01 |
-9.31 |
0.82 |
0 |
|
|
217022 |
85087129 |
1 |
SiO3C18H32 |
AB3C18D32 |
-194.72 |
4.69 |
-8.9 |
-0.39 |
0 |