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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
421790 |
135116619 |
1 |
N2O5C21H30 |
A2B5C21D30 |
-150.2 |
3.58 |
-8.67 |
-0.06 |
0 |
|
|
421791 |
135116620 |
1 |
N3O4C20H25 |
A3B4C20D25 |
-87.99 |
5.56 |
-8.94 |
-1.03 |
0 |
|
|
421792 |
135116623 |
1 |
ON2F3C20H23 |
AB2C3D20E23 |
-185.65 |
7.9 |
-8.72 |
-0.95 |
0 |
|
|
421793 |
135116624 |
1 |
SO4N6C15H20 |
AB4C6D15E20 |
-52.65 |
9.65 |
-9.87 |
-1.48 |
0 |
|
|
421794 |
135116626 |
1 |
SN2O4C16H22 |
AB2C4D16E22 |
-146.99 |
3.14 |
-9.93 |
-0.62 |
0 |
|
|
421795 |
135116627 |
1 |
ClN2O3C17H21 |
AB2C3D17E21 |
-122.67 |
8.17 |
-9.78 |
-0.74 |
0 |
|
|
421796 |
135116628 |
1 |
NSO5C17H23 |
ABC5D17E23 |
-192.78 |
10.55 |
-10.01 |
-0.92 |
0 |
|
|
421797 |
135116631 |
1 |
N2O3C22H28 |
A2B3C22D28 |
-85.55 |
6.06 |
-9.41 |
0.07 |
0 |
|
|
421798 |
135116634 |
1 |
NSO3C24H29 |
ABC3D24E29 |
-80.57 |
7.79 |
-8.76 |
-0.47 |
0 |
|
|
421799 |
135116636 |
1 |
NO2C20H29 |
AB2C20D29 |
-98.87 |
3.29 |
-9.17 |
0.06 |
0 |
|
|
421800 |
135116640 |
1 |
N2O2C23H28 |
A2B2C23D28 |
-48.22 |
2.89 |
-8.89 |
-0.41 |
0 |
|
|
421801 |
135116641 |
1 |
SN2O5C15H22 |
AB2C5D15E22 |
-194.25 |
5.16 |
-8.9 |
0.16 |
0 |
|
|
421802 |
135116642 |
1 |
ON4C15H18 |
AB4C15D18 |
27.17 |
4.32 |
-9.06 |
-0.56 |
0 |
|
|
421803 |
135116643 |
1 |
SN3O3C20H25 |
AB3C3D20E25 |
-95.38 |
3.06 |
-9.08 |
-0.64 |
0 |
|
|
421804 |
135116645 |
1 |
SF2O3N7C35H45 |
AB2C3D7E35F45 |
-138.04 |
8.62 |
-8.75 |
-0.32 |
0 |
|
|
421805 |
135116646 |
1 |
SN2O4C17H24 |
AB2C4D17E24 |
-88.63 |
10.14 |
-9.06 |
-0.6 |
0 |
|
|
421807 |
135116648 |
1 |
O2N4C19H30 |
A2B4C19D30 |
-52.29 |
4.61 |
-9.11 |
0.58 |
0 |
|
|
421808 |
135116649 |
1 |
ON4C24H30 |
AB4C24D30 |
11.14 |
4.76 |
-9.04 |
-0.72 |
0 |
|
|
421809 |
135116650 |
1 |
F3N3O3C18H20 |
A3B3C3D18E20 |
-267.85 |
6.31 |
-9.74 |
-0.96 |
0 |
|
|
421810 |
135116651 |
1 |
OSN6C18H22 |
ABC6D18E22 |
54.39 |
3.38 |
-8.84 |
-0.33 |
0 |
|
|
421811 |
135116652 |
1 |
N7O7C36H53 |
A7B7C36D53 |
-327.44 |
4.57 |
-8.74 |
-0.23 |
0 |
|
|
421812 |
135116653 |
1 |
ON6C22H30 |
AB6C22D30 |
20.84 |
2.62 |
-8.53 |
-0.2 |
0 |
|
|
421813 |
135116654 |
1 |
N3O3C20H27 |
A3B3C20D27 |
-85.44 |
4.72 |
-9.13 |
-0.57 |
0 |
|
|
421815 |
135116657 |
1 |
ON3C15H17 |
AB3C15D17 |
16.43 |
4.93 |
-9.06 |
-0.31 |
0 |
|
|
421816 |
135116658 |
1 |
ClON4C16H19 |
ABC4D16E19 |
7.47 |
3.61 |
-9.44 |
-0.62 |
0 |
|
|
421817 |
135116665 |
1 |
NO5C16H21 |
AB5C16D21 |
-201.96 |
4.81 |
-8.9 |
0.26 |
0 |
|
|
421818 |
135116667 |
1 |
S2N7O7C34H49 |
A2B7C7D34E49 |
-253.93 |
10.39 |
-8.44 |
-1.1 |
0 |
|
|
421819 |
135116668 |
2 |
N2O3C15H16 |
A2B3C15D16 |
-101.36 |
4.97 |
-8.42 |
-0.21 |
0 |
|
|
421820 |
135116669 |
1 |
OSN3C20H21 |
ABC3D20E21 |
51.04 |
2.24 |
-9.06 |
-0.45 |
0 |
|
|
421821 |
135116671 |
1 |
ON4C19H26 |
AB4C19D26 |
-6.35 |
2.71 |
-8.77 |
0.4 |
0 |
|
|
421823 |
135116678 |
1 |
ON3C17H23 |
AB3C17D23 |
-0.02 |
3.65 |
-8.7 |
0.78 |
0 |
|
|
421824 |
135116684 |
2 |
NO2C11H16 |
AB2C11D16 |
-159.96 |
3.89 |
-8.87 |
0.26 |
0 |
|
|
421826 |
135116686 |
1 |
FN4O4C22H27 |
AB4C4D22E27 |
-138.64 |
3.29 |
-9.31 |
-1.13 |
0 |
|
|
421827 |
135116689 |
1 |
ON4C19H22 |
AB4C19D22 |
39.98 |
5.69 |
-8.88 |
-0.87 |
0 |
|
|
421828 |
135116690 |
2 |
NO3C9H9 |
AB3C9D9 |
-186.36 |
7.53 |
-8.48 |
-0.79 |
0 |
|
|
421829 |
135116691 |
1 |
O5N7C36H47 |
A5B7C36D47 |
-163.99 |
9.24 |
-9.46 |
-0.52 |
0 |
|
|
421830 |
135116692 |
1 |
O3N4C20H24 |
A3B4C20D24 |
-39.21 |
6.13 |
-9.57 |
-0.86 |
0 |
|
|
421831 |
135116693 |
1 |
FN4O4C28H31 |
AB4C4D28E31 |
-133.49 |
5.55 |
-9.06 |
-0.68 |
0 |
|
|
421832 |
135116694 |
2 |
N3O3C19H26 |
A3B3C19D26 |
-247.59 |
6.56 |
-8.57 |
-0.48 |
0 |
|
|
421833 |
135116696 |
1 |
N2S2O4C17H22 |
A2B2C4D17E22 |
-101.29 |
4.08 |
-9.2 |
-1.24 |
0 |
|
|
421835 |
135116698 |
1 |
SN2O2C21H22 |
AB2C2D21E22 |
-29.19 |
3.25 |
-8.5 |
-0.28 |
0 |
|
|
421836 |
135116699 |
1 |
N6O8C37H46 |
A6B8C37D46 |
-242.91 |
6.82 |
-8.8 |
-1.29 |
0 |
|
|
421837 |
135116700 |
1 |
O5N6H30C31 |
A5B6C30D31 |
-53.15 |
6.15 |
-9.27 |
-0.57 |
0 |
|
|
421838 |
135116701 |
1 |
SO5N8C38H46 |
AB5C8D38E46 |
-119.56 |
7.08 |
-8.89 |
-1.01 |
0 |
|
|
421840 |
135116706 |
1 |
O7N8C32H44 |
A7B8C32D44 |
-261.8 |
6.35 |
-9.5 |
-0.21 |
0 |
|
|
421842 |
135116708 |
1 |
N5O8C36H45 |
A5B8C36D45 |
-228.58 |
7.68 |
-8.8 |
-0.54 |
0 |
|
|
421843 |
135116710 |
1 |
ON3C15H19 |
AB3C15D19 |
-12.66 |
2.92 |
-8.67 |
0.0 |
0 |
|
|
421844 |
135116712 |
1 |
SN3O5C14H21 |
AB3C5D14E21 |
-204.49 |
11.44 |
-9.49 |
-1.13 |
0 |
|
|
421845 |
135116713 |
1 |
N3O3C20H25 |
A3B3C20D25 |
-84.05 |
3.79 |
-9.03 |
-0.91 |
0 |
|
|
421846 |
135116714 |
2 |
ON2C10H10 |
AB2C10D10 |
1.78 |
5.79 |
-9.72 |
-0.96 |
0 |
|
|
421847 |
135116715 |
2 |
N2O2C12H19 |
A2B2C12D19 |
-194.17 |
2.13 |
-9.13 |
0.29 |
0 |
|
|
421848 |
135116717 |
1 |
NF4O4C14H15 |
AB4C4D14E15 |
-348.45 |
6.72 |
-9.84 |
-0.76 |
0 |
|
|
421849 |
135116719 |
1 |
O2N4C17H28 |
A2B4C17D28 |
-81.79 |
5.25 |
-8.54 |
0.66 |
0 |
|
|
421850 |
135116720 |
1 |
SN4O4C14H24 |
AB4C4D14E24 |
-140.08 |
3.03 |
-9.51 |
-0.3 |
0 |
|
|
421851 |
135116721 |
2 |
NO2C11H17 |
AB2C11D17 |
-169.48 |
4.91 |
-8.57 |
0.02 |
0 |
|
|
421852 |
135116722 |
1 |
ON4C18H22 |
AB4C18D22 |
14.85 |
5.99 |
-8.58 |
-0.07 |
0 |
|
|
421853 |
135116723 |
1 |
FN4O4C20H25 |
AB4C4D20E25 |
-145.11 |
4.21 |
-9.24 |
-1.21 |
0 |
|
|
421854 |
135116724 |
1 |
N2O5C24H34 |
A2B5C24D34 |
-234.5 |
3.62 |
-9.28 |
0.03 |
0 |
|
|
421855 |
135116727 |
2 |
NO3C12H15 |
AB3C12D15 |
-233.5 |
10.02 |
-9.49 |
-0.8 |
0 |
|
|
421856 |
135116729 |
1 |
ClN2O2C16H21 |
AB2C2D16E21 |
-74.7 |
5.44 |
-9.27 |
-0.82 |
0 |
|
|
421857 |
135116730 |
1 |
N2O3C19H24 |
A2B3C19D24 |
-101.99 |
3.88 |
-9.39 |
-0.77 |
0 |
|
|
421858 |
135116734 |
1 |
ClSN2O4C15H21 |
ABC2D4E15F21 |
-163.67 |
3.83 |
-9.79 |
-0.71 |
0 |
|
|
421859 |
135116736 |
1 |
N2S2O4C19H24 |
A2B2C4D19E24 |
-91.0 |
6.84 |
-9.2 |
-1.19 |
0 |
|
|
421860 |
135116737 |
1 |
N2O6C23H30 |
A2B6C23D30 |
-248.92 |
7.86 |
-8.75 |
-1.41 |
0 |
|
|
421861 |
135116738 |
1 |
SN3O4C14H21 |
AB3C4D14E21 |
-145.62 |
2.4 |
-9.79 |
-0.75 |
0 |
|
|
421862 |
135116742 |
1 |
N3O3C16H25 |
A3B3C16D25 |
-130.66 |
4.57 |
-9.1 |
-0.46 |
0 |
|
|
421863 |
135116743 |
1 |
N6O7C39H54 |
A6B7C39D54 |
-304.28 |
6.24 |
-8.88 |
-0.77 |
0 |
|
|
421864 |
135116744 |
1 |
N5O6C33H45 |
A5B6C33D45 |
-263.79 |
4.54 |
-9.36 |
-0.49 |
0 |
|
|
421865 |
135116746 |
1 |
O3N4C19H30 |
A3B4C19D30 |
-112.74 |
6.29 |
-8.79 |
-0.34 |
0 |
|
|
421866 |
135116747 |
1 |
N3O4C21H27 |
A3B4C21D27 |
-90.53 |
5.99 |
-9.1 |
-1.01 |
0 |
|
|
421867 |
135116750 |
1 |
O2N3C20H27 |
A2B3C20D27 |
-28.87 |
2.43 |
-9.01 |
-0.08 |
0 |
|
|
421868 |
135116751 |
1 |
FN2O4C20H27 |
AB2C4D20E27 |
-201.87 |
7.18 |
-9.48 |
-0.52 |
0 |
|
|
421869 |
135116752 |
1 |
ClO2N3C20H24 |
AB2C3D20E24 |
-66.16 |
5.06 |
-9.04 |
-0.87 |
0 |
|
|
421870 |
135116753 |
1 |
O2N5C19H21 |
A2B5C19D21 |
4.43 |
4.5 |
-9.42 |
-1.24 |
0 |
|
|
421871 |
135116755 |
1 |
SN3O3C16H21 |
AB3C3D16E21 |
-66.6 |
6.61 |
-8.62 |
-0.74 |
0 |
|
|
421872 |
135116756 |
1 |
NO5C15H19 |
AB5C15D19 |
-216.96 |
3.96 |
-9.22 |
-0.37 |
0 |
|
|
421873 |
135116758 |
1 |
SO2N3C21H31 |
AB2C3D21E31 |
-21.22 |
3.76 |
-8.57 |
0.22 |
0 |
|
|
421874 |
135116759 |
1 |
OSN2C18H24 |
ABC2D18E24 |
-18.37 |
5.33 |
-8.55 |
-0.78 |
0 |
|
|
421875 |
135116760 |
1 |
O6N7C33H45 |
A6B7C33D45 |
-239.64 |
7.1 |
-9.46 |
-0.24 |
0 |
|
|
421876 |
135116761 |
1 |
N5O5C23H31 |
A5B5C23D31 |
-164.75 |
4.76 |
-8.78 |
-0.22 |
0 |
|
|
421877 |
135116762 |
1 |
O2N5C21H27 |
A2B5C21D27 |
-26.05 |
3.98 |
-8.65 |
-0.13 |
0 |
|
|
421878 |
135116763 |
1 |
FN2O2C16H21 |
AB2C2D16E21 |
-113.21 |
4.48 |
-9.54 |
-0.8 |
0 |
|
|
421879 |
135116764 |
1 |
S2N4O5C11H20 |
A2B4C5D11E20 |
-165.16 |
8.82 |
-9.46 |
-0.33 |
0 |
|
|
421880 |
135116766 |
2 |
ON2C8H11 |
AB2C8D11 |
-50.33 |
4.01 |
-8.78 |
0.66 |
0 |
|
|
421881 |
135116767 |
1 |
O3N4C17H24 |
A3B4C17D24 |
-83.66 |
2.6 |
-8.91 |
0.0 |
0 |
|
|
421882 |
135116768 |
1 |
ClFN2O2C17H20 |
ABC2D2E17F20 |
-130.85 |
8.84 |
-9.58 |
-0.89 |
0 |
|
|
421883 |
135116770 |
1 |
O2N5C24H27 |
A2B5C24D27 |
-26.16 |
3.69 |
-8.45 |
-0.42 |
0 |
|
|
421884 |
135116771 |
1 |
N4O6C23H26 |
A4B6C23D26 |
-182.32 |
2.96 |
-9.11 |
-0.67 |
0 |
|
|
421885 |
135116772 |
1 |
ClN3O4C18H24 |
AB3C4D18E24 |
-121.92 |
6.3 |
-9.25 |
-0.99 |
0 |
|
|
421886 |
135116773 |
3 |
NOC6H7 |
ABC6D7 |
-75.64 |
7.34 |
-9.27 |
-0.97 |
0 |
|
|
421887 |
135116774 |
1 |
N4O5C21H36 |
A4B5C21D36 |
-261.42 |
2.3 |
-9.54 |
0.39 |
0 |
|
|
421888 |
135116775 |
1 |
ON5C16H17 |
AB5C16D17 |
34.38 |
8.11 |
-8.98 |
-0.8 |
0 |
|
|
421889 |
135116777 |
1 |
ClO3N4C18H23 |
AB3C4D18E23 |
-63.24 |
2.26 |
-9.44 |
-1.11 |
0 |
|
|
421890 |
135116778 |
1 |
O2N4C21H24 |
A2B4C21D24 |
-12.66 |
7.83 |
-9.21 |
-0.59 |
0 |
|
|
421891 |
135116783 |
1 |
NO3C24H29 |
AB3C24D29 |
-106.8 |
4.82 |
-9.09 |
-0.19 |
0 |
|
|
421892 |
135116784 |
1 |
F2O3N4C15H18 |
A2B3C4D15E18 |
-141.26 |
1.57 |
-9.96 |
-0.57 |
0 |
|
|
421893 |
135116785 |
1 |
O5N7C29H39 |
A5B7C29D39 |
-124.63 |
9.52 |
-8.07 |
-0.09 |
0 |
|
|
421894 |
135116786 |
1 |
NO5C16H19 |
AB5C16D19 |
-159.09 |
7.06 |
-9.57 |
-0.46 |
0 |
|
|
421895 |
135116789 |
1 |
SN7O7C37H47 |
AB7C7D37E47 |
-231.62 |
8.4 |
-8.8 |
-1.35 |
0 |
|
|
421896 |
135116790 |
1 |
N3O4C19H23 |
A3B4C19D23 |
-124.87 |
9.2 |
-9.56 |
-0.17 |
0 |