List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
20593 |
584741 |
1 |
Cl2F3N3O4H14C17 |
A2B3C3D4E14F17 |
-264.74 |
5.89 |
-9.18 |
-0.84 |
0 |
|
|
20594 |
584744 |
2 |
ClNO2H7C8 |
ABC2D7E8 |
-75.96 |
4.21 |
-9.21 |
-0.67 |
0 |
|
|
20595 |
584758 |
2 |
NO2H7C8 |
AB2C7D8 |
-57.63 |
5.73 |
-8.53 |
-0.58 |
0 |
|
|
20596 |
584760 |
1 |
NO2C8H9 |
AB2C8D9 |
-66.85 |
3.06 |
-10.0 |
-0.45 |
0 |
|
|
20597 |
584764 |
1 |
O2N3C19H23 |
A2B3C19D23 |
-13.02 |
7.75 |
-8.04 |
-0.34 |
0 |
|
|
20598 |
584768 |
1 |
SN5C21H25 |
AB5C21D25 |
95.92 |
4.5 |
-8.61 |
-0.57 |
0 |
|
|
20599 |
584772 |
2 |
NOH5C6 |
ABC5D6 |
1.91 |
3.77 |
-9.33 |
-1.18 |
0 |
|
|
20600 |
584781 |
1 |
O2N3H15C16 |
A2B3C15D16 |
3.31 |
7.37 |
-8.46 |
-0.94 |
0 |
|
|
20601 |
584800 |
1 |
NC12H19 |
AB12C19 |
7.97 |
1.83 |
-9.21 |
2.62 |
0 |
|
|
20602 |
584806 |
1 |
NOC21H27 |
ABC21D27 |
-66.24 |
4.51 |
-8.57 |
0.32 |
0 |
|
|
20603 |
584810 |
1 |
Cl3N3C16H16 |
A3B3C16D16 |
13.89 |
7.86 |
-9.25 |
-1.11 |
0 |
|
|
20604 |
584815 |
1 |
INOC18H22 |
ABCD18E22 |
-40.86 |
5.83 |
-8.7 |
-0.64 |
0 |
|
|
20605 |
584817 |
1 |
NOC19H25 |
ABC19D25 |
-65.72 |
4.06 |
-8.38 |
0.38 |
0 |
|
|
20606 |
584819 |
1 |
NOC20H27 |
ABC20D27 |
-67.64 |
3.63 |
-8.5 |
0.27 |
0 |
|
|
20607 |
584821 |
1 |
O3C14H22 |
A3B14C22 |
-147.72 |
3.78 |
-10.03 |
0.76 |
0 |
|
|
20608 |
584823 |
1 |
ClFNO3C21H21 |
ABCD3E21F21 |
-163.05 |
7.5 |
-9.2 |
-1.08 |
0 |
|
|
20609 |
584830 |
1 |
N2O2C19H26 |
A2B2C19D26 |
-105.41 |
4.06 |
-8.76 |
-0.06 |
0 |
|
|
20610 |
584835 |
1 |
O2F7C15H17 |
A2B7C15D17 |
-463.72 |
3.82 |
-10.55 |
-0.54 |
0 |
|
|
20611 |
584838 |
1 |
F2O2C17H18 |
A2B2C17D18 |
-182.49 |
4.37 |
-9.85 |
-0.46 |
0 |
|
|
20612 |
584840 |
1 |
ClN2O3C21H21 |
AB2C3D21E21 |
-68.22 |
3.67 |
-10.04 |
-1.5 |
0 |
|
|
20613 |
584842 |
1 |
NSO4C19H27 |
ABC4D19E27 |
-159.01 |
5.78 |
-8.94 |
-0.48 |
0 |
|
|
20614 |
584843 |
1 |
NSO4C21H31 |
ABC4D21E31 |
-174.42 |
7.72 |
-8.58 |
-0.55 |
0 |
|
|
20615 |
584848 |
2 |
C7H12 |
A7B12 |
-54.28 |
0.18 |
-9.98 |
3.94 |
0 |
|
|
20616 |
584849 |
1 |
SN3O3C16H19 |
AB3C3D16E19 |
-14.13 |
4.92 |
-9.57 |
-1.92 |
0 |
|
|
20617 |
584850 |
1 |
OSN2C22H26 |
ABC2D22E26 |
-14.9 |
1.93 |
-8.32 |
-0.46 |
0 |
|
|
20618 |
584856 |
2 |
NO2C9H11 |
AB2C9D11 |
-94.38 |
3.63 |
-8.82 |
-1.47 |
0 |
|
|
20619 |
584860 |
1 |
NSO4C19H27 |
ABC4D19E27 |
-160.39 |
5.12 |
-8.71 |
-0.61 |
0 |
|
|
20620 |
584861 |
1 |
SeO2H12C14 |
AB2C12D14 |
-35.3 |
6.06 |
-8.84 |
-0.89 |
0 |
|
|
20621 |
584882 |
1 |
BrNO2C24H24 |
ABC2D24E24 |
-56.04 |
2.93 |
-9.04 |
-1.03 |
0 |
|
|
20622 |
584886 |
1 |
N2C19H26 |
A2B19C26 |
14.92 |
4.74 |
-10.53 |
0.76 |
0 |
|
|
20623 |
584898 |
1 |
NOCl2C20H25 |
ABC2D20E25 |
-43.36 |
4.92 |
-8.79 |
0.33 |
0 |
|
|
20624 |
584902 |
1 |
NOC24H27 |
ABC24D27 |
-18.4 |
3.74 |
-9.33 |
-0.07 |
0 |
|
|
20625 |
584904 |
1 |
O3H14C15 |
A3B14C15 |
-72.89 |
4.2 |
-9.24 |
-0.48 |
0 |
|
|
20626 |
584906 |
1 |
NO4C27H27 |
AB4C27D27 |
-137.99 |
5.27 |
-9.36 |
-1.42 |
0 |
|
|
20627 |
584907 |
1 |
NO2C24H27 |
AB2C24D27 |
-60.16 |
4.67 |
-8.2 |
0.02 |
0 |
|
|
20628 |
584908 |
1 |
NOSC17H23 |
ABCD17E23 |
-25.69 |
3.2 |
-8.24 |
0.27 |
0 |
|
|
20629 |
584923 |
1 |
O4H16C17 |
A4B16C17 |
-112.49 |
4.56 |
-9.39 |
-0.61 |
0 |
|
|
20630 |
584925 |
2 |
OC9H11 |
AB9C11 |
-95.76 |
2.17 |
-9.55 |
0.14 |
0 |
|
|
20631 |
584927 |
2 |
OSC5H5 |
ABC5D5 |
-41.66 |
2.95 |
-9.21 |
-1.57 |
0 |
|
|
20632 |
584928 |
1 |
O3H14C15 |
A3B14C15 |
-73.69 |
3.39 |
-9.15 |
-0.55 |
0 |
|
|
20633 |
584936 |
1 |
SO2N3C11H11 |
AB2C3D11E11 |
4.4 |
5.62 |
-8.51 |
-0.76 |
0 |
|
|
20634 |
584946 |
1 |
BrC10H15 |
AB10C15 |
2.19 |
2.46 |
-8.97 |
-0.06 |
0 |
|
|
20635 |
584949 |
1 |
NOC13H17 |
ABC13D17 |
-37.78 |
4.43 |
-10.19 |
0.03 |
0 |
|
|
20636 |
584950 |
1 |
C15H26 |
A15B26 |
-9.99 |
0.5 |
-9.55 |
1.39 |
0 |
|
|
20637 |
584952 |
1 |
SN3C11H19 |
AB3C11D19 |
3.73 |
1.36 |
-9.28 |
-0.33 |
0 |
|
|
20638 |
584953 |
1 |
NOC22H31 |
ABC22D31 |
-56.56 |
3.84 |
-9.3 |
0.74 |
0 |
|
|
20639 |
584954 |
1 |
SeC10H16 |
AB10C16 |
5.91 |
3.25 |
-8.05 |
-1.04 |
0 |
|
|
20640 |
584956 |
1 |
SN2O2F3H15C17 |
AB2C2D3E15F17 |
-202.98 |
4.04 |
-9.14 |
-0.64 |
0 |
|
|
20641 |
584957 |
1 |
C11H18 |
A11B18 |
-10.2 |
0.69 |
-8.88 |
1.15 |
0 |
|
|
20642 |
584961 |
1 |
ON2C8H10 |
AB2C8D10 |
11.14 |
7.09 |
-8.79 |
-0.98 |
0 |