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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
448759 |
135293407 |
1 |
ON5F7H18C22 |
AB5C7D18E22 |
-251.05 |
4.78 |
-8.72 |
-1.44 |
0 |
|
|
448760 |
135293417 |
1 |
NO2C12H21 |
AB2C12D21 |
-80.58 |
4.24 |
-9.18 |
0.24 |
0 |
|
|
448761 |
135293430 |
1 |
ON6C18H22 |
AB6C18D22 |
31.06 |
4.28 |
-9.02 |
-0.21 |
0 |
|
|
448762 |
135293440 |
1 |
ON6C18H24 |
AB6C18D24 |
2.04 |
2.75 |
-9.25 |
-0.43 |
0 |
|
|
448763 |
135293443 |
2 |
N2O2C5H6 |
A2B2C5D6 |
-114.8 |
5.28 |
-9.83 |
-0.62 |
0 |
|
|
448764 |
135293444 |
1 |
O3N4C11H14 |
A3B4C11D14 |
-76.13 |
5.14 |
-9.5 |
-0.39 |
0 |
|
|
448765 |
135293449 |
1 |
FON7C16H20 |
ABC7D16E20 |
-31.25 |
5.21 |
-9.44 |
-0.57 |
0 |
|
|
448766 |
135293467 |
1 |
ON4F5H21C23 |
AB4C5D21E23 |
-166.79 |
7.47 |
-9.35 |
-0.73 |
0 |
|
|
448767 |
135293469 |
1 |
O2F4N7H19C21 |
A2B4C7D19E21 |
-59.74 |
5.84 |
-8.44 |
-0.98 |
0 |
|
|
448768 |
135293470 |
1 |
OF4N5H19C21 |
AB4C5D19E21 |
-91.52 |
4.8 |
-8.62 |
-0.72 |
0 |
|
|
448769 |
135293487 |
1 |
N9C23H25 |
A9B23C25 |
157.69 |
6.88 |
-8.55 |
-1.01 |
0 |
|
|
448770 |
135293496 |
1 |
ON8C22H24 |
AB8C22D24 |
84.5 |
4.16 |
-8.84 |
-1.35 |
0 |
|
|
448771 |
135293498 |
1 |
PO3H41C42 |
AB3C41D42 |
-40.79 |
3.55 |
-8.7 |
-0.12 |
0 |
|
|
448772 |
135293511 |
1 |
N9C21H23 |
A9B21C23 |
170.54 |
4.28 |
-8.3 |
-0.65 |
0 |
|
|
448773 |
135293513 |
1 |
N7C24H29 |
A7B24C29 |
103.23 |
3.0 |
-8.49 |
-0.76 |
0 |
|
|
448774 |
135293522 |
1 |
FN3H6C13 |
AB3C6D13 |
76.63 |
2.62 |
-10.42 |
-1.7 |
0 |
|
|
448775 |
135293523 |
1 |
ON8C20H22 |
AB8C20D22 |
100.36 |
2.3 |
-8.17 |
-0.81 |
0 |
|
|
448776 |
135293535 |
1 |
ON9C19H19 |
AB9C19D19 |
126.82 |
6.76 |
-8.77 |
-1.19 |
0 |
|
|
448777 |
135293536 |
1 |
FON2H11C14 |
ABC2D11E14 |
-3.12 |
6.23 |
-9.48 |
-1.31 |
0 |
|
|
448778 |
135293546 |
1 |
ON6C20H20 |
AB6C20D20 |
81.83 |
5.79 |
-9.3 |
-1.31 |
0 |
|
|
448779 |
135293550 |
1 |
F3O3N8C26H31 |
A3B3C8D26E31 |
-191.11 |
5.3 |
-8.82 |
-0.95 |
0 |
|
|
448780 |
135293554 |
1 |
BrClN3C9H11 |
ABC3D9E11 |
27.0 |
3.92 |
-8.78 |
-0.83 |
0 |
|
|
448781 |
135293568 |
1 |
FN2O2H13C16 |
AB2C2D13E16 |
-49.36 |
4.55 |
-9.94 |
-1.34 |
0 |
|
|
448782 |
135293576 |
1 |
ON2F4H8C12 |
AB2C4D8E12 |
-178.76 |
3.23 |
-9.84 |
-1.57 |
0 |
|
|
448783 |
135293583 |
1 |
ClFON2H8C12 |
ABCD2E8F12 |
-4.63 |
2.3 |
-8.83 |
-1.14 |
0 |
|
|
448784 |
135293591 |
1 |
FON2H9C13 |
ABC2D9E13 |
-5.09 |
4.75 |
-10.06 |
-1.4 |
0 |
|
|
448785 |
135293599 |
1 |
FN7H20C21 |
AB7C20D21 |
85.4 |
3.0 |
-8.83 |
-1.36 |
0 |
|
|
448786 |
135293606 |
1 |
FNO2C24H26 |
ABC2D24E26 |
-50.63 |
2.86 |
-8.29 |
-0.34 |
0 |
|
|
448787 |
135293612 |
1 |
FN3H10C17 |
AB3C10D17 |
81.59 |
5.56 |
-9.73 |
-1.61 |
0 |
|
|
448788 |
135293623 |
1 |
ClON6C17H17 |
ABC6D17E17 |
63.28 |
2.11 |
-8.79 |
-1.13 |
0 |
|
|
448789 |
135293624 |
1 |
BrON2C11H15 |
ABC2D11E15 |
-18.42 |
4.06 |
-8.24 |
-0.18 |
0 |
|
|
448790 |
135293625 |
1 |
F3N6H13C17 |
A3B6C13D17 |
-19.89 |
1.96 |
-9.55 |
-1.49 |
0 |
|
|
448791 |
135293632 |
2 |
NH15C23 |
AB15C23 |
213.38 |
2.56 |
-8.12 |
-0.63 |
0 |
|
|
448792 |
135293638 |
1 |
BrNOH22C31 |
ABCD22E31 |
100.52 |
2.37 |
-7.9 |
-0.71 |
0 |
|
|
448793 |
135293642 |
1 |
N2H50C65 |
A2B50C65 |
246.79 |
2.19 |
-7.84 |
-0.25 |
0 |
|
|
448794 |
135293648 |
1 |
NH29C43 |
AB29C43 |
238.46 |
1.92 |
-8.35 |
-0.82 |
1 |
|
|
448795 |
135293649 |
1 |
NSC16H34 |
ABC16D34 |
-16.84 |
2.84 |
0.0 |
0.0 |
0 |
|
|
448796 |
135293655 |
2 |
N2H18C29 |
A2B18C29 |
293.18 |
0.38 |
-8.04 |
-1.06 |
0 |
|
|
448797 |
135293661 |
2 |
NH22C32 |
AB22C32 |
259.35 |
1.94 |
-7.93 |
-0.4 |
0 |
|
|
448798 |
135293670 |
1 |
N2H36C49 |
A2B36C49 |
247.13 |
0.9 |
-8.2 |
-0.45 |
0 |
|
|
448799 |
135293671 |
1 |
NH31C49 |
AB31C49 |
205.9 |
1.7 |
-8.14 |
-0.48 |
0 |
|
|
448800 |
135293674 |
1 |
N2H40C61 |
A2B40C61 |
265.42 |
0.43 |
-7.88 |
-0.48 |
0 |
|
|
448801 |
135293679 |
4 |
NH8C13 |
AB8C13 |
269.29 |
0.51 |
-7.98 |
-0.99 |
0 |
|
|
448802 |
135293685 |
1 |
N2H38C55 |
A2B38C55 |
356.84 |
2.66 |
-8.5 |
-0.44 |
0 |
|
|
448803 |
135293686 |
1 |
N2H32C49 |
A2B32C49 |
219.08 |
0.68 |
-7.87 |
-0.5 |
0 |
|
|
448804 |
135293691 |
1 |
NH25C27 |
AB25C27 |
78.96 |
0.72 |
-7.92 |
-0.36 |
0 |
|
|
448805 |
135293696 |
1 |
N4H40C59 |
A4B40C59 |
286.75 |
0.53 |
-8.0 |
-1.04 |
0 |
|
|
448806 |
135293704 |
1 |
NH21C26 |
AB21C26 |
103.71 |
2.07 |
-8.22 |
-0.31 |
0 |
|
|
448807 |
135293705 |
1 |
N4H42C59 |
A4B42C59 |
337.31 |
11.99 |
-6.35 |
-1.92 |
0 |
|
|
448808 |
135293716 |
2 |
NH16C26 |
AB16C26 |
324.25 |
2.41 |
-7.91 |
-0.85 |
0 |
|
|
448809 |
135293730 |
1 |
NH33C49 |
AB33C49 |
276.21 |
1.37 |
-8.68 |
-0.32 |
0 |
|
|
448810 |
135293740 |
1 |
NH29C41 |
AB29C41 |
168.07 |
1.67 |
-7.88 |
-0.34 |
0 |
|
|
448811 |
135293744 |
2 |
NH21C28 |
AB21C28 |
234.46 |
1.03 |
-7.9 |
-0.16 |
0 |
|
|
448812 |
135293746 |
1 |
SN2H32C50 |
AB2C32D50 |
223.65 |
2.03 |
-7.95 |
-0.46 |
0 |
|
|
448813 |
135293763 |
2 |
NH18C26 |
AB18C26 |
211.13 |
1.2 |
-7.95 |
-0.54 |
0 |
|
|
448814 |
135293768 |
1 |
N2H32C49 |
A2B32C49 |
219.99 |
1.46 |
-8.04 |
-0.42 |
0 |
|
|
448815 |
135293776 |
1 |
N2H42C61 |
A2B42C61 |
260.21 |
1.43 |
-7.93 |
-0.35 |
0 |
|
|
448816 |
135293778 |
2 |
NH17C26 |
AB17C26 |
236.54 |
1.94 |
-7.98 |
-0.55 |
0 |
|
|
448817 |
135293786 |
1 |
NC18H19 |
AB18C19 |
81.55 |
1.44 |
-7.96 |
-0.57 |
0 |
|
|
448818 |
135293791 |
1 |
N3H33C50 |
A3B33C50 |
241.07 |
2.36 |
-8.05 |
-0.48 |
0 |
|
|
448819 |
135293803 |
1 |
N2O3C24H36 |
A2B3C24D36 |
-123.64 |
5.43 |
-9.07 |
0.19 |
0 |
|
|
448820 |
135293808 |
1 |
NC36H47 |
AB36C47 |
49.8 |
1.49 |
-8.74 |
0.42 |
0 |
|
|
448821 |
135293811 |
2 |
ClNOC12H16 |
ABCD12E16 |
-87.06 |
3.56 |
-9.06 |
-0.82 |
0 |
|
|
448822 |
135293819 |
1 |
ON2C14H22 |
AB2C14D22 |
-31.34 |
4.33 |
-8.65 |
0.02 |
0 |
|
|
448823 |
135293820 |
1 |
N2O2C19H30 |
A2B2C19D30 |
-72.18 |
1.68 |
-9.66 |
-0.16 |
1 |
|
|
448824 |
135293821 |
1 |
NOPC52H57 |
ABCD52E57 |
188.06 |
7.43 |
0.0 |
0.0 |
0 |
|
|
448825 |
135293828 |
1 |
O3N4C18H22 |
A3B4C18D22 |
-51.13 |
4.77 |
-8.92 |
-0.91 |
0 |
|
|
448826 |
135293848 |
1 |
OSN6C24H24 |
ABC6D24E24 |
82.79 |
5.88 |
-8.5 |
-0.8 |
0 |
|
|
448827 |
135293850 |
1 |
N2O3C31H40 |
A2B3C31D40 |
-95.55 |
6.13 |
-8.42 |
-0.48 |
0 |
|
|
448828 |
135293857 |
2 |
NOC7H8 |
ABC7D8 |
-45.5 |
1.94 |
-9.13 |
-0.85 |
0 |
|
|
448829 |
135293859 |
1 |
ClNO2C17H20 |
ABC2D17E20 |
-65.65 |
2.45 |
-8.83 |
-0.42 |
0 |
|
|
448830 |
135293869 |
1 |
NOC34H43 |
ABC34D43 |
18.18 |
1.87 |
-8.34 |
0.06 |
0 |
|
|
448831 |
135293874 |
3 |
N2C3H4 |
A2B3C4 |
72.82 |
7.7 |
-8.77 |
-0.48 |
0 |
|
|
448832 |
135293878 |
1 |
OPN6H17C18 |
ABC6D17E18 |
76.27 |
6.13 |
-8.84 |
-0.79 |
0 |
|
|
448833 |
135293885 |
1 |
ClN2O2H15C16 |
AB2C2D15E16 |
-5.19 |
5.9 |
-8.94 |
-0.66 |
0 |
|
|
448834 |
135293915 |
2 |
NOC8H9 |
ABC8D9 |
-48.47 |
1.98 |
-9.13 |
-0.84 |
0 |
|
|
448835 |
135293916 |
1 |
O2N3C18H23 |
A2B3C18D23 |
-48.7 |
3.36 |
-8.02 |
-0.28 |
0 |
|
|
448836 |
135293917 |
1 |
ON2C9H14 |
AB2C9D14 |
60.55 |
4.66 |
-8.24 |
-0.47 |
0 |
|
|
448837 |
135293920 |
1 |
ON8C29H36 |
AB8C29D36 |
93.49 |
7.13 |
-8.29 |
-0.75 |
0 |
|
|
448838 |
135293949 |
1 |
SO3N6C21H24 |
AB3C6D21E24 |
12.45 |
5.75 |
-8.16 |
-0.75 |
0 |
|
|
448839 |
135293952 |
1 |
F2O4N6C41H44 |
A2B4C6D41E44 |
-168.58 |
13.45 |
-9.21 |
-0.83 |
0 |
|
|
448840 |
135293969 |
1 |
O2N7C26H31 |
A2B7C26D31 |
12.15 |
2.24 |
-8.11 |
-0.3 |
0 |
|
|
448841 |
135293979 |
1 |
ON2C6H16 |
AB2C6D16 |
-5.67 |
1.06 |
-8.78 |
1.29 |
0 |
|
|
448842 |
135293981 |
1 |
FN2O3C23H25 |
AB2C3D23E25 |
-119.2 |
7.03 |
-9.15 |
-0.73 |
0 |
|
|
448843 |
135293985 |
1 |
N5C9H13 |
A5B9C13 |
65.88 |
7.28 |
-9.48 |
-0.83 |
0 |
|
|
448844 |
135293989 |
1 |
N3O3C16H19 |
A3B3C16D19 |
-97.17 |
2.02 |
-8.18 |
-0.3 |
0 |
|
|
448845 |
135293993 |
1 |
INO2C12H14 |
ABC2D12E14 |
-51.1 |
2.37 |
-9.48 |
-1.08 |
0 |
|
|
448846 |
135293994 |
1 |
INO2Cl3H9C10 |
ABC2D3E9F10 |
-80.03 |
3.26 |
-9.11 |
-0.94 |
0 |
|
|
448847 |
135294008 |
1 |
O2N7C28H35 |
A2B7C28D35 |
40.37 |
3.65 |
-8.47 |
-0.4 |
0 |
|
|
448848 |
135294010 |
1 |
FN2O3C23H25 |
AB2C3D23E25 |
-118.02 |
1.99 |
-9.55 |
-1.33 |
0 |
|
|
448849 |
135294024 |
1 |
ClON3C11H18 |
ABC3D11E18 |
-45.1 |
2.54 |
-8.7 |
0.28 |
0 |
|
|
448850 |
135294039 |
1 |
NF2O2H15C18 |
AB2C2D15E18 |
-107.68 |
5.17 |
-9.85 |
-1.21 |
0 |
|
|
448851 |
135294040 |
1 |
O4N5C27H31 |
A4B5C27D31 |
-82.0 |
3.48 |
-8.36 |
-0.54 |
0 |
|
|
448852 |
135294043 |
1 |
O4N5C26H29 |
A4B5C26D29 |
-80.66 |
5.89 |
-8.38 |
-0.46 |
0 |
|
|
448853 |
135294053 |
1 |
S3C9H14 |
A3B9C14 |
3.48 |
3.57 |
-8.67 |
-0.5 |
0 |
|
|
448854 |
135294062 |
1 |
FO2N4C23H31 |
AB2C4D23E31 |
-95.83 |
7.34 |
-8.4 |
-0.66 |
0 |
|
|
448855 |
135294075 |
1 |
FO2N3C17H22 |
AB2C3D17E22 |
-96.44 |
4.26 |
-8.26 |
-1.09 |
0 |
|
|
448856 |
135294079 |
2 |
N2C3H7 |
A2B3C7 |
21.47 |
0.71 |
-7.78 |
1.15 |
0 |
|
|
448857 |
135294112 |
1 |
FO2N5C20H26 |
AB2C5D20E26 |
-61.05 |
4.11 |
-8.66 |
-0.8 |
0 |
|
|
448858 |
135294118 |
1 |
F2N3O5C27H43 |
A2B3C5D27E43 |
-288.41 |
5.4 |
-9.92 |
-1.03 |
0 |