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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
418709 |
135106630 |
1 |
SO2N4C24H26 |
AB2C4D24E26 |
5.89 |
6.56 |
-9.18 |
-1.01 |
0 |
|
|
418710 |
135106631 |
1 |
O2N3C19H25 |
A2B3C19D25 |
-52.15 |
6.01 |
-8.38 |
0.09 |
0 |
|
|
418711 |
135106632 |
1 |
ON4C17H28 |
AB4C17D28 |
-28.29 |
2.75 |
-8.94 |
-0.26 |
0 |
|
|
418712 |
135106633 |
1 |
ClN3O3C18H24 |
AB3C3D18E24 |
-120.28 |
8.18 |
-9.16 |
-0.37 |
0 |
|
|
418713 |
135106634 |
1 |
N3O3C22H29 |
A3B3C22D29 |
-103.25 |
4.92 |
-9.01 |
-0.75 |
0 |
|
|
418714 |
135106635 |
1 |
O2N5C19H25 |
A2B5C19D25 |
-43.3 |
3.24 |
-9.52 |
-0.55 |
0 |
|
|
418715 |
135106636 |
1 |
ON2C21H26 |
AB2C21D26 |
-9.51 |
1.63 |
-8.77 |
-0.38 |
0 |
|
|
418716 |
135106637 |
1 |
O2N5C21H29 |
A2B5C21D29 |
-48.65 |
5.29 |
-9.17 |
-0.38 |
0 |
|
|
418717 |
135106638 |
1 |
O3N5C16H17 |
A3B5C16D17 |
-41.88 |
3.49 |
-9.23 |
-0.91 |
0 |
|
|
418718 |
135106639 |
1 |
NSO2C22H25 |
ABC2D22E25 |
0.28 |
3.99 |
-8.89 |
-0.37 |
0 |
|
|
418719 |
135106640 |
1 |
O2N4C17H22 |
A2B4C17D22 |
-42.32 |
5.7 |
-9.68 |
-0.17 |
0 |
|
|
418721 |
135106642 |
1 |
N4O4C21H24 |
A4B4C21D24 |
-102.06 |
6.71 |
-9.44 |
-1.07 |
0 |
|
|
418722 |
135106643 |
1 |
N3O4C21H27 |
A3B4C21D27 |
-133.36 |
9.63 |
-8.7 |
-0.91 |
0 |
|
|
418723 |
135106644 |
1 |
N2O5C19H24 |
A2B5C19D24 |
-190.47 |
5.15 |
-9.09 |
-0.17 |
0 |
|
|
418725 |
135106646 |
1 |
FO2N7C15H16 |
AB2C7D15E16 |
-0.27 |
3.11 |
-9.28 |
-0.78 |
0 |
|
|
418726 |
135106647 |
2 |
ON3C10H13 |
AB3C10D13 |
13.01 |
8.3 |
-9.0 |
-0.81 |
0 |
|
|
418727 |
135106648 |
1 |
N3O4C20H25 |
A3B4C20D25 |
-80.08 |
4.23 |
-8.7 |
-0.7 |
0 |
|
|
418728 |
135106649 |
1 |
SO2N3C20H27 |
AB2C3D20E27 |
-52.74 |
5.35 |
-8.72 |
-0.01 |
0 |
|
|
418729 |
135106650 |
1 |
N3O3C22H29 |
A3B3C22D29 |
-122.57 |
6.68 |
-9.12 |
-0.64 |
0 |
|
|
418730 |
135106651 |
1 |
O4N7C30H39 |
A4B7C30D39 |
-138.95 |
4.78 |
-8.47 |
-0.5 |
0 |
|
|
418731 |
135106652 |
1 |
ClFSN2O4C14H18 |
ABCD2E4F14G18 |
-201.1 |
2.93 |
-9.74 |
-0.94 |
0 |
|
|
418732 |
135106653 |
1 |
O2N5C19H23 |
A2B5C19D23 |
-6.13 |
5.04 |
-8.93 |
-0.54 |
0 |
|
|
418733 |
135106654 |
2 |
O2N4C12H17 |
A2B4C12D17 |
-100.01 |
6.06 |
-9.73 |
-0.91 |
0 |
|
|
418734 |
135106655 |
1 |
O3N4C18H28 |
A3B4C18D28 |
-129.92 |
5.66 |
-8.54 |
0.37 |
0 |
|
|
418735 |
135106657 |
2 |
SN2O2C7H12 |
AB2C2D7E12 |
-135.0 |
4.67 |
-9.39 |
-0.58 |
0 |
|
|
418736 |
135106669 |
1 |
FNO4C15H16 |
ABC4D15E16 |
-182.23 |
6.64 |
-9.48 |
-0.68 |
0 |
|
|
418737 |
135106670 |
1 |
N3O4C20H21 |
A3B4C20D21 |
-51.28 |
2.32 |
-8.86 |
-0.86 |
0 |
|
|
418738 |
135106671 |
1 |
O2N3C17H21 |
A2B3C17D21 |
-45.51 |
4.73 |
-9.1 |
-0.61 |
0 |
|
|
418739 |
135106672 |
1 |
SO2N3C19H23 |
AB2C3D19E23 |
-31.37 |
8.52 |
-8.7 |
-0.47 |
0 |
|
|
418740 |
135106673 |
1 |
N4O5C16H20 |
A4B5C16D20 |
-163.99 |
5.01 |
-9.66 |
-0.65 |
0 |
|
|
418741 |
135106674 |
1 |
O3N5C18H27 |
A3B5C18D27 |
-99.65 |
3.79 |
-8.64 |
-0.57 |
0 |
|
|
418742 |
135106675 |
1 |
FN3O5C19H24 |
AB3C5D19E24 |
-178.46 |
4.59 |
-9.14 |
-1.44 |
0 |
|
|
418743 |
135106676 |
1 |
ClON5C22H24 |
ABC5D22E24 |
20.46 |
5.32 |
-8.62 |
-0.6 |
0 |
|
|
418744 |
135106677 |
1 |
N7O9C36H49 |
A7B9C36D49 |
-280.56 |
10.29 |
-8.59 |
-1.12 |
0 |
|
|
418745 |
135106678 |
1 |
NF2O3C13H15 |
AB2C3D13E15 |
-210.73 |
7.42 |
-9.61 |
-0.73 |
0 |
|
|
418746 |
135106679 |
1 |
N6O7C33H48 |
A6B7C33D48 |
-297.72 |
6.0 |
-9.24 |
-0.25 |
0 |
|
|
418747 |
135106683 |
1 |
N5O6C27H31 |
A5B6C27D31 |
-135.76 |
2.72 |
-8.87 |
-0.73 |
0 |
|
|
418748 |
135106684 |
1 |
OS2N5C15H17 |
AB2C5D15E17 |
36.6 |
4.91 |
-8.84 |
-0.69 |
0 |
|
|
418749 |
135106686 |
1 |
O3N5C21H25 |
A3B5C21D25 |
-75.36 |
6.29 |
-9.08 |
-0.59 |
0 |
|
|
418750 |
135106688 |
1 |
NO4C23H27 |
AB4C23D27 |
-158.52 |
3.82 |
-9.25 |
-0.08 |
0 |
|
|
418751 |
135106689 |
1 |
N3O3C22H25 |
A3B3C22D25 |
-43.24 |
1.49 |
-8.5 |
-0.57 |
0 |
|
|
418752 |
135106702 |
1 |
O3N4C13H18 |
A3B4C13D18 |
-62.14 |
2.97 |
-9.34 |
0.08 |
0 |
|
|
418753 |
135106704 |
1 |
NO5C19H29 |
AB5C19D29 |
-222.06 |
2.92 |
-8.66 |
0.27 |
0 |
|
|
418754 |
135106705 |
1 |
N3O3C17H27 |
A3B3C17D27 |
-130.08 |
1.77 |
-8.58 |
0.08 |
0 |
|
|
418755 |
135106710 |
1 |
N3O4C19H29 |
A3B4C19D29 |
-140.78 |
8.47 |
-9.04 |
-0.17 |
0 |
|
|
418756 |
135106711 |
1 |
O2N5C19H19 |
A2B5C19D19 |
7.06 |
5.83 |
-8.57 |
-1.4 |
0 |
|
|
418757 |
135106712 |
1 |
SN2O5C16H24 |
AB2C5D16E24 |
-193.98 |
4.51 |
-9.32 |
-0.37 |
0 |
|
|
418758 |
135106713 |
1 |
N3O8C28H33 |
A3B8C28D33 |
-193.97 |
4.03 |
-8.15 |
-0.84 |
0 |
|
|
418759 |
135106714 |
1 |
N4O4C19H20 |
A4B4C19D20 |
-125.61 |
4.86 |
-9.58 |
-0.98 |
0 |
|
|
418760 |
135106715 |
1 |
O2N3C20H27 |
A2B3C20D27 |
-35.95 |
1.44 |
-8.74 |
0.2 |
0 |
|
|
418761 |
135106716 |
1 |
N2O4C25H36 |
A2B4C25D36 |
-181.01 |
2.5 |
-9.52 |
0.19 |
0 |
|
|
418762 |
135106717 |
1 |
N3O3C18H25 |
A3B3C18D25 |
-102.76 |
1.87 |
-8.6 |
0.46 |
0 |
|
|
418763 |
135106718 |
1 |
FSO2N4C17H21 |
ABC2D4E17F21 |
-68.43 |
6.66 |
-9.49 |
-0.71 |
0 |
|
|
418764 |
135106719 |
1 |
FN2O3C18H25 |
AB2C3D18E25 |
-156.12 |
2.08 |
-9.09 |
-0.52 |
0 |
|
|
418765 |
135106720 |
1 |
O2N5C22H25 |
A2B5C22D25 |
-10.02 |
3.73 |
-8.97 |
-0.82 |
0 |
|
|
418766 |
135106740 |
1 |
NF2O2C19H25 |
AB2C2D19E25 |
-185.45 |
5.19 |
-9.28 |
-0.31 |
0 |
|
|
418767 |
135106744 |
1 |
SO3N4C18H30 |
AB3C4D18E30 |
-112.34 |
4.37 |
-8.43 |
0.17 |
0 |
|
|
418768 |
135106752 |
1 |
O2N6C23H28 |
A2B6C23D28 |
1.38 |
0.99 |
-9.36 |
-0.74 |
0 |
|
|
418769 |
135106780 |
1 |
N2O4C19H24 |
A2B4C19D24 |
-128.41 |
4.63 |
-9.34 |
-0.46 |
0 |
|
|
418770 |
135106781 |
1 |
N2O5C18H18 |
A2B5C18D18 |
-161.98 |
8.62 |
-8.75 |
-0.71 |
0 |
|
|
418771 |
135106782 |
1 |
O6N7C35H45 |
A6B7C35D45 |
-220.08 |
4.52 |
-8.62 |
-0.28 |
0 |
|
|
418772 |
135106783 |
1 |
O2N3C23H29 |
A2B3C23D29 |
-29.91 |
3.65 |
-9.38 |
-0.75 |
0 |
|
|
418773 |
135106784 |
1 |
ON5C16H17 |
AB5C16D17 |
22.81 |
4.54 |
-9.28 |
-0.74 |
0 |
|
|
418774 |
135106785 |
1 |
FNSO5C13H16 |
ABCD5E13F16 |
-254.3 |
2.77 |
-10.05 |
-0.96 |
0 |
|
|
418776 |
135106787 |
1 |
ClN2O4C21H25 |
AB2C4D21E25 |
-129.96 |
1.5 |
-8.4 |
0.04 |
0 |
|
|
418777 |
135106788 |
1 |
SN2O2C16H26 |
AB2C2D16E26 |
-85.72 |
3.57 |
-9.03 |
-0.02 |
0 |
|
|
418778 |
135106789 |
1 |
O2N3C21H29 |
A2B3C21D29 |
-55.26 |
5.03 |
-8.42 |
-0.35 |
0 |
|
|
418779 |
135106790 |
1 |
SN2O5C16H24 |
AB2C5D16E24 |
-197.32 |
4.23 |
-9.62 |
-0.61 |
0 |
|
|
418780 |
135106791 |
1 |
SO2N3C20H21 |
AB2C3D20E21 |
-17.41 |
4.26 |
-9.32 |
-0.94 |
0 |
|
|
418781 |
135106792 |
1 |
N4O5C17H18 |
A4B5C17D18 |
-129.11 |
5.52 |
-8.72 |
-0.71 |
0 |
|
|
418782 |
135106793 |
1 |
N3O3C18H25 |
A3B3C18D25 |
-101.29 |
3.97 |
-8.06 |
-0.42 |
0 |
|
|
418783 |
135106794 |
1 |
SN2O5C18H22 |
AB2C5D18E22 |
-143.11 |
6.42 |
-8.52 |
-0.66 |
0 |
|
|
418784 |
135106795 |
1 |
N3O4C20H23 |
A3B4C20D23 |
-51.37 |
6.24 |
-8.65 |
-0.23 |
0 |
|
|
418785 |
135106796 |
1 |
ON3C15H23 |
AB3C15D23 |
-25.14 |
4.52 |
-8.87 |
-0.05 |
0 |
|
|
418786 |
135106797 |
1 |
SN3O3C17H23 |
AB3C3D17E23 |
-108.07 |
2.04 |
-9.02 |
-1.1 |
0 |
|
|
418787 |
135106798 |
1 |
ClN3O3C18H24 |
AB3C3D18E24 |
-119.24 |
4.0 |
-8.7 |
0.13 |
0 |
|
|
418789 |
135106800 |
1 |
NO2C19H25 |
AB2C19D25 |
-66.74 |
3.75 |
-9.03 |
-0.31 |
0 |
|
|
418791 |
135106802 |
1 |
SO4N8C31H42 |
AB4C8D31E42 |
-102.37 |
8.17 |
-9.33 |
-1.25 |
0 |
|
|
418792 |
135106808 |
1 |
ON6C16H22 |
AB6C16D22 |
102.28 |
5.95 |
-8.56 |
-1.35 |
0 |
|
|
418793 |
135106817 |
1 |
ON6C12H18 |
AB6C12D18 |
33.98 |
3.26 |
-8.46 |
0.38 |
0 |
|
|
418794 |
135106818 |
1 |
NSO4H15C16 |
ABC4D15E16 |
-99.95 |
7.3 |
-8.9 |
-0.77 |
0 |
|
|
418795 |
135106820 |
1 |
N2F3O3C20H21 |
A2B3C3D20E21 |
-255.04 |
4.1 |
-9.12 |
-0.74 |
0 |
|
|
418796 |
135106821 |
1 |
SO3N4C12H20 |
AB3C4D12E20 |
-94.81 |
3.63 |
-9.39 |
-0.32 |
0 |
|
|
418797 |
135106822 |
1 |
SN2O4C18H26 |
AB2C4D18E26 |
-172.06 |
5.6 |
-9.54 |
-0.51 |
0 |
|
|
418798 |
135106823 |
1 |
NO2C19H29 |
AB2C19D29 |
-80.68 |
1.58 |
-8.71 |
0.38 |
0 |
|
|
418799 |
135106824 |
1 |
N3O5C21H25 |
A3B5C21D25 |
-157.73 |
3.05 |
-9.32 |
-1.08 |
0 |
|
|
418801 |
135106826 |
1 |
SF3O3N5C14H22 |
AB3C3D5E14F22 |
-245.9 |
2.91 |
-9.17 |
-0.67 |
0 |
|
|
418802 |
135106827 |
2 |
NO2C10H11 |
AB2C10D11 |
-115.66 |
5.35 |
-9.68 |
-1.31 |
0 |
|
|
418803 |
135106828 |
1 |
NOC30H31 |
ABC30D31 |
13.82 |
1.2 |
-8.68 |
0.22 |
0 |
|
|
418804 |
135106829 |
1 |
ClN4O4C21H23 |
AB4C4D21E23 |
-85.03 |
1.02 |
-8.84 |
-0.34 |
0 |
|
|
418805 |
135106830 |
1 |
N3O3C18H25 |
A3B3C18D25 |
-117.61 |
2.94 |
-9.75 |
-0.24 |
0 |
|
|
418806 |
135106833 |
1 |
FNOC18H26 |
ABCD18E26 |
-104.92 |
2.55 |
-8.45 |
0.39 |
0 |
|
|
418807 |
135106834 |
1 |
N3O3C18H19 |
A3B3C18D19 |
-75.16 |
8.77 |
-8.98 |
-0.67 |
0 |
|
|
418808 |
135106836 |
1 |
O3N4C19H22 |
A3B4C19D22 |
-35.48 |
5.34 |
-8.75 |
-0.6 |
0 |
|
|
418809 |
135106837 |
1 |
ClOSN3C15H16 |
ABCD3E15F16 |
12.72 |
4.77 |
-8.63 |
-0.43 |
0 |
|
|
418810 |
135106842 |
1 |
O2N3C19H23 |
A2B3C19D23 |
-39.5 |
3.66 |
-9.69 |
-0.49 |
0 |
|
|
418811 |
135106857 |
1 |
ClN3O3C18H24 |
AB3C3D18E24 |
-114.42 |
5.99 |
-9.17 |
-0.48 |
0 |
|
|
418812 |
135106863 |
1 |
ClON3C20H26 |
ABC3D20E26 |
-24.4 |
5.45 |
-8.55 |
-0.65 |
0 |
|
|
418813 |
135106864 |
1 |
N3O4C23H27 |
A3B4C23D27 |
-126.14 |
3.96 |
-9.05 |
-0.26 |
0 |
|
|
418814 |
135106865 |
1 |
O2N4C17H26 |
A2B4C17D26 |
-78.39 |
7.78 |
-9.02 |
-0.07 |
0 |