List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
286900 |
104223432 |
1 |
BrO3N4H11C12 |
AB3C4D11E12 |
34.8 |
6.24 |
-9.93 |
-1.62 |
0 |
|
|
286901 |
104223434 |
1 |
ON4C14H18 |
AB4C14D18 |
30.12 |
4.52 |
-9.41 |
-0.57 |
0 |
|
|
286902 |
104223436 |
1 |
ON4C12H14 |
AB4C12D14 |
41.04 |
4.53 |
-9.5 |
-0.56 |
0 |
|
|
286903 |
104223454 |
1 |
BrFON3C14H15 |
ABCD3E14F15 |
-16.43 |
3.8 |
-9.42 |
-0.71 |
0 |
|
|
286904 |
104223459 |
1 |
BrFON3C15H17 |
ABCD3E15F17 |
-36.14 |
4.61 |
-8.9 |
-0.7 |
0 |
|
|
286905 |
104223463 |
1 |
ON6H12C13 |
AB6C12D13 |
109.07 |
5.06 |
-9.39 |
-0.85 |
0 |
|
|
286906 |
104223471 |
1 |
FON3C15H18 |
ABC3D15E18 |
-29.67 |
4.89 |
-9.3 |
-0.55 |
0 |
|
|
286907 |
104223475 |
1 |
BrON3C14H16 |
ABC3D14E16 |
23.09 |
4.44 |
-9.37 |
-0.62 |
0 |
|
|
286908 |
104223482 |
1 |
FON3C13H14 |
ABC3D13E14 |
-18.09 |
4.31 |
-9.42 |
-0.57 |
0 |
|
|
286909 |
104223495 |
1 |
ClFON3H9C11 |
ABCD3E9F11 |
-15.93 |
5.91 |
-9.4 |
-0.89 |
0 |
|
|
286910 |
104223501 |
1 |
BrON3C16H20 |
ABC3D16E20 |
13.67 |
5.15 |
-9.31 |
-0.6 |
0 |
|
|
286911 |
104223512 |
1 |
BrFON3C13H13 |
ABCD3E13F13 |
-11.51 |
3.24 |
-9.41 |
-0.91 |
0 |
|
|
286912 |
104223513 |
1 |
BrFON3H9C11 |
ABCD3E9F11 |
-2.18 |
5.55 |
-9.55 |
-0.82 |
0 |
|
|
286913 |
104223516 |
1 |
BrFO2N3C14H15 |
ABC2D3E14F15 |
-46.22 |
6.57 |
-9.49 |
-0.64 |
0 |
|
|
286914 |
104223518 |
1 |
O3N4C14H16 |
A3B4C14D16 |
19.02 |
7.85 |
-9.54 |
-1.42 |
0 |
|
|
286915 |
104223520 |
1 |
O3N4C13H16 |
A3B4C13D16 |
-82.83 |
7.08 |
-9.23 |
-1.33 |
0 |
|
|
286916 |
104223524 |
3 |
NOC4H5 |
ABC4D5 |
-77.03 |
5.61 |
-9.16 |
-1.28 |
0 |
|
|
286917 |
104223525 |
1 |
SO2N3H13C14 |
AB2C3D13E14 |
-0.79 |
6.96 |
-9.22 |
-1.25 |
0 |
|
|
286918 |
104223531 |
1 |
O3N4C13H16 |
A3B4C13D16 |
-83.44 |
9.0 |
-9.05 |
-1.18 |
0 |
|
|
286919 |
104223532 |
1 |
O2N3H15C16 |
A2B3C15D16 |
-7.12 |
7.48 |
-9.15 |
-1.22 |
0 |
|
|
286920 |
104223534 |
1 |
O2N3C11H15 |
A2B3C11D15 |
-43.83 |
8.86 |
-8.94 |
-1.04 |
0 |
|
|
286921 |
104223536 |
1 |
O2N3C15H21 |
A2B3C15D21 |
-55.31 |
9.16 |
-8.88 |
-1.02 |
0 |
|
|
286922 |
104223537 |
1 |
O3N4C13H16 |
A3B4C13D16 |
-75.3 |
6.66 |
-9.2 |
-1.35 |
0 |
|
|
286923 |
104223542 |
1 |
O3N4C11H12 |
A3B4C11D12 |
-64.87 |
5.14 |
-9.46 |
-1.54 |
0 |
|
|
286924 |
104223544 |
2 |
ON2C7H10 |
AB2C7D10 |
-37.05 |
7.91 |
-8.81 |
-1.24 |
0 |
|
|
286925 |
104223545 |
1 |
O2N4C13H18 |
A2B4C13D18 |
-32.93 |
7.87 |
-8.83 |
-1.25 |
0 |
|
|
286926 |
104223549 |
1 |
O2N3C16H17 |
A2B3C16D17 |
-11.06 |
8.39 |
-8.99 |
-1.1 |
0 |
|
|
286927 |
104223550 |
1 |
O2N3C16H17 |
A2B3C16D17 |
-14.26 |
8.2 |
-9.01 |
-1.15 |
0 |
|
|
286928 |
104223555 |
1 |
O2N3C10H13 |
A2B3C10D13 |
-36.69 |
8.04 |
-9.07 |
-1.16 |
0 |
|
|
286929 |
104223557 |
1 |
O2N3C11H13 |
A2B3C11D13 |
-8.88 |
8.17 |
-9.04 |
-1.15 |
0 |
|
|
286930 |
104223558 |
1 |
O2N3C12H17 |
A2B3C12D17 |
-50.68 |
8.75 |
-8.98 |
-1.08 |
0 |
|
|
286931 |
104223562 |
1 |
O2N3C11H15 |
A2B3C11D15 |
-41.16 |
8.46 |
-8.99 |
-1.12 |
0 |
|
|
286932 |
104223563 |
1 |
O2N3C12H17 |
A2B3C12D17 |
-47.29 |
8.57 |
-8.95 |
-1.09 |
0 |
|
|
286933 |
104223564 |
1 |
O2N3C12H17 |
A2B3C12D17 |
-48.31 |
8.97 |
-8.91 |
-1.04 |
0 |
|
|
286934 |
104223569 |
1 |
O3N4C10H12 |
A3B4C10D12 |
-71.75 |
3.96 |
-9.37 |
-1.46 |
0 |
|
|
286935 |
104223571 |
1 |
SO2N3C13H13 |
AB2C3D13E13 |
3.05 |
7.37 |
-9.18 |
-1.24 |
0 |
|
|
286936 |
104223572 |
1 |
O2N3C14H19 |
A2B3C14D19 |
-48.1 |
8.33 |
-8.98 |
-1.07 |
0 |
|
|
286937 |
104223574 |
1 |
N3O3C13H17 |
A3B3C13D17 |
-81.32 |
5.97 |
-9.15 |
-1.34 |
0 |
|
|
286938 |
104223576 |
2 |
ON2C7H7 |
AB2C7D7 |
6.51 |
7.22 |
-9.2 |
-1.31 |
0 |
|
|
286939 |
104223577 |
2 |
ON2C7H7 |
AB2C7D7 |
4.87 |
7.12 |
-9.12 |
-1.25 |
0 |
|
|
286940 |
104223580 |
1 |
O2N3C13H19 |
A2B3C13D19 |
-53.13 |
9.07 |
-8.95 |
-1.06 |
0 |
|
|
286941 |
104223581 |
1 |
O2N3C14H19 |
A2B3C14D19 |
-51.41 |
8.43 |
-8.99 |
-1.14 |
0 |
|
|
286942 |
104223601 |
1 |
FO2N3H14C15 |
AB2C3D14E15 |
-51.58 |
7.01 |
-9.13 |
-1.24 |
0 |
|
|
286943 |
104223606 |
1 |
BrO2N3H14C15 |
AB2C3D14E15 |
-2.07 |
7.14 |
-9.21 |
-1.33 |
0 |
|
|
286944 |
104223607 |
1 |
BrO2N3H14C15 |
AB2C3D14E15 |
-2.26 |
6.16 |
-9.21 |
-1.32 |
0 |
|
|
286945 |
104223608 |
1 |
BrO2N3H14C15 |
AB2C3D14E15 |
-2.28 |
7.19 |
-9.1 |
-1.21 |
0 |
|
|
286946 |
104223609 |
1 |
N3O4C13H19 |
A3B4C13D19 |
-113.58 |
7.68 |
-8.92 |
-1.09 |
0 |
|
|
286947 |
104223610 |
1 |
SO2N3C12H15 |
AB2C3D12E15 |
-32.52 |
8.68 |
-8.89 |
-1.14 |
0 |
|
|
286948 |
104223612 |
1 |
N3O3C14H19 |
A3B3C14D19 |
-88.26 |
6.85 |
-8.97 |
-1.13 |
0 |
|
|
286949 |
104223616 |
1 |
N3O3C14H19 |
A3B3C14D19 |
-85.94 |
7.2 |
-8.99 |
-1.16 |
0 |
|
|
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 |