List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
286950 |
104223617 |
1 |
SO2N3C15H15 |
AB2C3D15E15 |
23.39 |
7.69 |
-9.12 |
-1.22 |
0 |
|
|
286951 |
104223618 |
1 |
N3O3C14H19 |
A3B3C14D19 |
-87.51 |
9.81 |
-8.88 |
-1.04 |
0 |
|
|
286952 |
104223619 |
1 |
O2N3C15H21 |
A2B3C15D21 |
-53.71 |
9.08 |
-8.9 |
-1.05 |
0 |
|
|
286953 |
104223631 |
1 |
O2N3C15H21 |
A2B3C15D21 |
-56.07 |
9.03 |
-8.9 |
-1.04 |
0 |
|
|
286954 |
104223635 |
1 |
O3N4C12H16 |
A3B4C12D16 |
-80.26 |
4.56 |
-9.28 |
-1.4 |
0 |
|
|
286955 |
104223640 |
1 |
SO2N3C15H17 |
AB2C3D15E17 |
-12.09 |
7.68 |
-9.08 |
-1.17 |
0 |
|
|
286956 |
104223642 |
1 |
O2N3C13H15 |
A2B3C13D15 |
-25.39 |
8.87 |
-9.01 |
-1.13 |
0 |
|
|
286957 |
104223643 |
1 |
SO2N3C14H15 |
AB2C3D14E15 |
-4.83 |
8.55 |
-9.05 |
-1.16 |
0 |
|
|
286958 |
104223644 |
1 |
BrSO2N3H12C13 |
ABC2D3E12F13 |
10.84 |
6.95 |
-9.19 |
-1.31 |
0 |
|
|
286959 |
104223654 |
1 |
N3O4C14H21 |
A3B4C14D21 |
-120.32 |
8.11 |
-8.95 |
-1.1 |
0 |
|
|
286960 |
104223658 |
1 |
O3N4C14H18 |
A3B4C14D18 |
-89.84 |
7.31 |
-9.2 |
-1.27 |
0 |
|
|
286961 |
104223659 |
1 |
O3N4C14H18 |
A3B4C14D18 |
-89.02 |
9.31 |
-9.12 |
-1.23 |
0 |
|
|
286962 |
104223661 |
1 |
O3N4C14H18 |
A3B4C14D18 |
-83.67 |
4.0 |
-9.28 |
-1.38 |
0 |
|
|
286963 |
104223675 |
3 |
NOC5H7 |
ABC5D7 |
-64.07 |
6.94 |
-9.07 |
-1.2 |
0 |
|
|
286964 |
104223678 |
1 |
O3N4C13H18 |
A3B4C13D18 |
-89.35 |
4.07 |
-9.31 |
-1.43 |
0 |
|
|
286965 |
104223684 |
1 |
O2N4C15H24 |
A2B4C15D24 |
-46.01 |
10.48 |
-8.78 |
-0.97 |
0 |
|
|
286966 |
104223686 |
1 |
O2F3N3C12H14 |
A2B3C3D12E14 |
-201.21 |
6.63 |
-9.37 |
-1.38 |
0 |
|
|
286967 |
104223689 |
2 |
ON2C7H9 |
AB2C7D9 |
-19.96 |
4.82 |
-9.27 |
-1.36 |
0 |
|
|
286968 |
104223692 |
1 |
SO2N4C13H14 |
AB2C4D13E14 |
-1.11 |
8.6 |
-9.03 |
-1.16 |
0 |
|
|
286969 |
104223693 |
1 |
FO2N3H14C15 |
AB2C3D14E15 |
-52.8 |
7.62 |
-9.18 |
-1.36 |
0 |
|
|
286970 |
104223703 |
1 |
O2N3C16H17 |
A2B3C16D17 |
-17.11 |
8.91 |
-8.93 |
-1.08 |
0 |
|
|
286971 |
104223706 |
1 |
O2N3C15H15 |
A2B3C15D15 |
-8.23 |
8.32 |
-8.93 |
-1.22 |
0 |
|
|
286972 |
104223745 |
1 |
O2N4C13H18 |
A2B4C13D18 |
-33.63 |
7.91 |
-8.8 |
-1.23 |
0 |
|
|
286973 |
104231652 |
1 |
NSO2C15H25 |
ABC2D15E25 |
-80.46 |
2.58 |
-8.08 |
0.18 |
0 |
|
|
286974 |
104231653 |
1 |
NSO2C15H25 |
ABC2D15E25 |
-82.73 |
3.57 |
-8.41 |
0.36 |
0 |
|
|
286975 |
104231654 |
1 |
NSO2C15H25 |
ABC2D15E25 |
-80.66 |
3.52 |
-8.2 |
0.17 |
0 |
|
|
286976 |
104231655 |
1 |
NSO2C14H23 |
ABC2D14E23 |
-79.12 |
4.22 |
-8.29 |
0.3 |
0 |
|
|
286977 |
104231656 |
2 |
NOC6H7 |
ABC6D7 |
-22.9 |
4.26 |
-9.3 |
-0.51 |
0 |
|
|
286978 |
104231657 |
2 |
NOC6H7 |
ABC6D7 |
-21.49 |
4.69 |
-9.11 |
-0.5 |
0 |
|
|
286979 |
104231658 |
2 |
NOC6H7 |
ABC6D7 |
-20.12 |
4.65 |
-9.08 |
-0.5 |
0 |
|
|
286980 |
104231659 |
1 |
O2N3C11H13 |
A2B3C11D13 |
-12.38 |
5.86 |
-9.46 |
-0.65 |
0 |
|
|
286981 |
104231660 |
1 |
O2N3C11H13 |
A2B3C11D13 |
-13.35 |
6.32 |
-9.53 |
-0.74 |
0 |
|
|
286982 |
104231661 |
1 |
O2N3C11H13 |
A2B3C11D13 |
-12.21 |
5.97 |
-9.36 |
-0.61 |
0 |
|
|
286983 |
104231662 |
2 |
NOC6H7 |
ABC6D7 |
-31.22 |
7.5 |
-9.19 |
-0.61 |
0 |
|
|
286984 |
104231663 |
2 |
NOC6H7 |
ABC6D7 |
-31.28 |
7.48 |
-9.19 |
-0.61 |
0 |
|
|
286985 |
104231664 |
2 |
NOC6H7 |
ABC6D7 |
-28.0 |
4.14 |
-9.38 |
-0.65 |
0 |
|
|
286986 |
104231665 |
2 |
NOC7H9 |
ABC7D9 |
-41.15 |
2.9 |
-9.25 |
-0.43 |
0 |
|
|
286987 |
104231666 |
2 |
NOC7H9 |
ABC7D9 |
-41.16 |
2.91 |
-9.24 |
-0.42 |
0 |
|
|
286988 |
104231667 |
1 |
N2O2C13H16 |
A2B2C13D16 |
-39.93 |
3.38 |
-9.33 |
-0.62 |
0 |
|
|
286989 |
104231668 |
1 |
N2O2C13H16 |
A2B2C13D16 |
-38.96 |
2.97 |
-9.32 |
-0.59 |
0 |
|
|
286990 |
104231669 |
1 |
N2O2C13H16 |
A2B2C13D16 |
-38.28 |
3.53 |
-9.09 |
-0.52 |
0 |
|
|
286991 |
104231670 |
2 |
NOC8H8 |
ABC8D8 |
-15.42 |
7.0 |
-8.82 |
-0.58 |
0 |
|
|
286992 |
104231671 |
2 |
NOC8H8 |
ABC8D8 |
-13.72 |
6.96 |
-8.83 |
-0.58 |
0 |
|
|
286993 |
104231672 |
2 |
NOC8H8 |
ABC8D8 |
-14.77 |
6.15 |
-8.81 |
-0.47 |
0 |
|
|
286994 |
104231673 |
1 |
O2N3C15H15 |
A2B3C15D15 |
14.25 |
7.17 |
-9.27 |
-0.84 |
0 |
|
|
286995 |
104231674 |
1 |
O2N3C15H15 |
A2B3C15D15 |
16.68 |
6.45 |
-9.27 |
-0.86 |
0 |
|
|
286996 |
104231675 |
1 |
O2N3C15H15 |
A2B3C15D15 |
15.43 |
5.34 |
-9.22 |
-0.85 |
0 |
|
|
286997 |
104231676 |
1 |
N2O2C13H16 |
A2B2C13D16 |
-27.85 |
2.18 |
-9.33 |
-0.46 |
0 |
|
|
286998 |
104231677 |
1 |
ClN2O2C12H13 |
AB2C2D12E13 |
-26.2 |
2.21 |
-9.46 |
-0.73 |
0 |
|
|
286999 |
104231678 |
1 |
ClN2O2C12H13 |
AB2C2D12E13 |
-29.28 |
5.42 |
-9.29 |
-0.68 |
0 |