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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
79753 |
49830260 |
1 |
ON4C23H24 |
AB4C23D24 |
38.6 |
3.67 |
-8.29 |
-0.02 |
0 |
|
|
79754 |
49830262 |
2 |
ON2C12H14 |
AB2C12D14 |
-9.97 |
3.04 |
-8.09 |
-0.48 |
0 |
|
|
79755 |
49830264 |
1 |
ON4H24C29 |
AB4C24D29 |
103.1 |
3.51 |
-8.09 |
-0.65 |
0 |
|
|
79756 |
49830267 |
2 |
ON2H13C15 |
AB2C13D15 |
59.22 |
4.45 |
-8.23 |
-0.62 |
0 |
|
|
79757 |
49830272 |
1 |
ClON5C17H18 |
ABC5D17E18 |
16.92 |
1.93 |
-9.11 |
-0.88 |
0 |
|
|
79758 |
49830274 |
1 |
ClON3H10C14 |
ABC3D10E14 |
23.12 |
5.46 |
-9.08 |
-0.83 |
0 |
|
|
79759 |
49830275 |
1 |
ClN4H15C19 |
AB4C15D19 |
97.6 |
2.98 |
-8.84 |
-0.69 |
0 |
|
|
79760 |
49830276 |
1 |
OF2N3H13C20 |
AB2C3D13E20 |
-28.33 |
2.7 |
-8.52 |
-1.04 |
0 |
|
|
79761 |
49830277 |
1 |
ON3H15C20 |
AB3C15D20 |
55.44 |
4.39 |
-8.77 |
-0.64 |
0 |
|
|
79762 |
49830281 |
1 |
N6C17H20 |
A6B17C20 |
74.7 |
2.19 |
-8.84 |
-0.68 |
0 |
|
|
79763 |
49830283 |
1 |
O2N4C21H22 |
A2B4C21D22 |
-4.3 |
1.97 |
-8.85 |
-0.55 |
0 |
|
|
79764 |
49830285 |
1 |
ClN5H8C11 |
AB5C8D11 |
83.58 |
2.48 |
-9.12 |
-0.87 |
0 |
|
|
79765 |
49830288 |
1 |
O2N3H17C21 |
A2B3C17D21 |
19.84 |
3.37 |
-8.29 |
-0.53 |
0 |
|
|
79766 |
49830291 |
1 |
ON4C17H18 |
AB4C17D18 |
28.84 |
3.18 |
-8.66 |
-0.54 |
0 |
|
|
79767 |
49830292 |
1 |
BrN2H9C13 |
AB2C9D13 |
77.11 |
2.76 |
-8.89 |
-0.7 |
0 |
|
|
79768 |
49830298 |
1 |
ClN5C14H14 |
AB5C14D14 |
71.04 |
3.22 |
-8.82 |
-0.61 |
0 |
|
|
79769 |
49830301 |
1 |
ClSO2N6C18H21 |
ABC2D6E18F21 |
-17.27 |
4.4 |
-9.1 |
-0.9 |
0 |
|
|
79770 |
49830302 |
1 |
ClSO2N6C18H21 |
ABC2D6E18F21 |
-18.81 |
4.49 |
-9.07 |
-0.85 |
0 |
|
|
79771 |
49830305 |
1 |
ClN6C21H27 |
AB6C21D27 |
51.9 |
4.43 |
-8.85 |
-0.74 |
0 |
|
|
79772 |
49830307 |
1 |
ClON6C19H21 |
ABC6D19E21 |
12.15 |
3.32 |
-9.09 |
-0.93 |
0 |
|
|
79773 |
49830310 |
1 |
FON4H17C20 |
ABC4D17E20 |
18.03 |
5.43 |
-8.78 |
-0.59 |
0 |
|
|
79774 |
49830312 |
1 |
ClON7C21H26 |
ABC7D21E26 |
19.87 |
2.65 |
-9.03 |
-0.82 |
0 |
|
|
79775 |
49830313 |
1 |
ClN4H17C20 |
AB4C17D20 |
101.07 |
2.83 |
-8.72 |
-0.79 |
0 |
|
|
79776 |
49830314 |
1 |
F3N5H14C19 |
A3B5C14D19 |
-42.63 |
3.61 |
-8.84 |
-0.84 |
0 |
|
|
79777 |
49830324 |
1 |
ClON4C16H17 |
ABC4D16E17 |
7.35 |
3.12 |
-8.73 |
-0.59 |
0 |
|
|
79778 |
49830326 |
1 |
ClN4H19C21 |
AB4C19D21 |
80.25 |
4.56 |
-8.72 |
-0.65 |
0 |
|
|
79779 |
49830328 |
1 |
ClOF2N4H11C19 |
ABC2D4E11F19 |
-34.02 |
3.6 |
-9.05 |
-1.11 |
0 |
|
|
79780 |
49830338 |
1 |
ClON4H13C19 |
ABC4D13E19 |
59.29 |
2.9 |
-9.05 |
-0.82 |
0 |
|
|
79781 |
49830339 |
1 |
ON3H9C10 |
AB3C9D10 |
11.81 |
3.22 |
-9.05 |
-0.66 |
0 |
|
|
79782 |
49830343 |
1 |
F3O3N6H19C27 |
A3B3C6D19E27 |
-119.97 |
3.46 |
-8.22 |
-0.78 |
0 |
|
|
79783 |
49830349 |
1 |
OSN5H15C19 |
ABC5D15E19 |
63.42 |
7.34 |
-8.74 |
-0.72 |
0 |
|
|
79784 |
49830355 |
1 |
OF2N5H17C21 |
AB2C5D17E21 |
-34.19 |
2.48 |
-8.31 |
-0.66 |
0 |
|
|
79785 |
49830358 |
1 |
OSN6H22C25 |
ABC6D22E25 |
85.55 |
5.14 |
-8.03 |
-0.49 |
0 |
|
|
79786 |
49830359 |
1 |
FOSN6H19C24 |
ABCD6E19F24 |
47.44 |
6.71 |
-8.26 |
-0.58 |
0 |
|
|
79787 |
49830367 |
1 |
SO2N6H26C27 |
AB2C6D26E27 |
29.16 |
4.7 |
-8.2 |
-0.57 |
0 |
|
|
79788 |
49830376 |
1 |
FON5H18C22 |
ABC5D18E22 |
12.53 |
2.56 |
-8.42 |
-0.88 |
0 |
|
|
79789 |
49830379 |
1 |
OSN5H19C22 |
ABC5D19E22 |
48.2 |
6.42 |
-8.34 |
-0.79 |
0 |
|
|
79790 |
49830382 |
1 |
OSN6H18C20 |
ABC6D18E20 |
48.88 |
5.41 |
-8.35 |
-0.39 |
0 |
|
|
79791 |
49830416 |
1 |
SO2N8H34C35 |
AB2C8D34E35 |
95.04 |
5.89 |
-8.35 |
-1.24 |
0 |
|
|
79792 |
49830418 |
1 |
ClOSN6H19C28 |
ABCD6E19F28 |
133.33 |
4.64 |
-8.8 |
-1.23 |
0 |
|
|
79793 |
49830419 |
1 |
ON6C29H30 |
AB6C29D30 |
92.3 |
2.11 |
-8.47 |
-0.93 |
0 |
|
|
79794 |
49830421 |
1 |
SO3N7H29C33 |
AB3C7D29E33 |
61.55 |
6.75 |
-8.29 |
-1.18 |
0 |
|
|
79795 |
49830445 |
1 |
SO2N4C15H16 |
AB2C4D15E16 |
-1.36 |
2.57 |
-8.39 |
-0.42 |
0 |
|
|
79796 |
49830465 |
1 |
O3N6H22C25 |
A3B6C22D25 |
52.71 |
1.58 |
-8.2 |
-0.39 |
0 |
|
|
79797 |
49830467 |
1 |
O3N4C16H16 |
A3B4C16D16 |
-9.68 |
5.63 |
-9.23 |
-1.08 |
0 |
|
|
79798 |
49830486 |
1 |
OSN3H19C21 |
ABC3D19E21 |
52.79 |
4.54 |
-8.85 |
-0.77 |
0 |
|
|
79799 |
49830490 |
1 |
N2O2C23H24 |
A2B2C23D24 |
-21.33 |
1.99 |
-8.83 |
-0.77 |
0 |
|
|
79800 |
49830491 |
1 |
ON3H17C21 |
AB3C17D21 |
57.27 |
4.6 |
-9.09 |
-0.48 |
0 |
|
|
79801 |
49830511 |
1 |
BrSO4N7C24H28 |
ABC4D7E24F28 |
-66.81 |
5.67 |
-8.2 |
-0.91 |
0 |
|
|
79802 |
49830512 |
1 |
FSO4N6C20H21 |
ABC4D6E20F21 |
-110.66 |
5.03 |
-8.73 |
-0.74 |
0 |
|
|
79803 |
49830515 |
1 |
ClN6H13C14 |
AB6C13D14 |
108.67 |
3.0 |
-8.36 |
-0.42 |
0 |
|
|
79804 |
49830521 |
1 |
O2N7H13C17 |
A2B7C13D17 |
56.72 |
5.12 |
-8.86 |
-1.32 |
0 |
|
|
79805 |
49830534 |
1 |
O3N6C28H38 |
A3B6C28D38 |
-92.99 |
4.05 |
-8.09 |
-0.7 |
0 |
|
|
79806 |
49830537 |
1 |
ClO3N4H21C24 |
AB3C4D21E24 |
-21.32 |
3.2 |
-8.83 |
-0.96 |
0 |
|
|
79807 |
49830538 |
1 |
O3N4C26H26 |
A3B4C26D26 |
-12.86 |
5.09 |
-8.78 |
-0.79 |
0 |
|
|
79808 |
49830544 |
1 |
O3N5H17C20 |
A3B5C17D20 |
17.25 |
2.76 |
-8.19 |
-1.04 |
0 |
|
|
79809 |
49830545 |
1 |
OCl2N4H12C15 |
AB2C4D12E15 |
26.88 |
4.62 |
-8.57 |
-0.86 |
0 |
|
|
79810 |
49830546 |
1 |
Cl2O2N4H14C19 |
A2B2C4D14E19 |
53.81 |
5.01 |
-8.42 |
-1.07 |
0 |
|
|
79811 |
49830548 |
1 |
N6C17H20 |
A6B17C20 |
79.41 |
1.64 |
-8.25 |
-0.38 |
0 |
|
|
79812 |
49830549 |
1 |
FN7H12C16 |
AB7C12D16 |
93.29 |
1.45 |
-8.98 |
-0.91 |
0 |
|
|
79813 |
49830552 |
1 |
O2N4H16C19 |
A2B4C16D19 |
6.76 |
4.98 |
-8.51 |
-0.76 |
0 |
|
|
79814 |
49830562 |
1 |
ON5C24H25 |
AB5C24D25 |
48.28 |
5.95 |
-8.66 |
-1.29 |
0 |
|
|
79815 |
49830571 |
1 |
SN3O3H17C20 |
AB3C3D17E20 |
-43.1 |
3.93 |
-8.73 |
-0.9 |
0 |
|
|
79816 |
49830577 |
2 |
N2O2H16C17 |
A2B2C16D17 |
-23.76 |
3.75 |
-8.16 |
-0.76 |
0 |
|
|
79817 |
49830579 |
1 |
N3O7C35H37 |
A3B7C35D37 |
-190.23 |
4.62 |
-8.04 |
-0.82 |
0 |
|
|
79818 |
49830581 |
1 |
N2O2H14C19 |
A2B2C14D19 |
-4.81 |
5.44 |
-8.45 |
-0.6 |
0 |
|
|
79819 |
49830583 |
1 |
N8C23H26 |
A8B23C26 |
130.05 |
2.53 |
-7.89 |
-0.69 |
0 |
|
|
79820 |
49830597 |
1 |
ON4H22C23 |
AB4C22D23 |
76.41 |
3.62 |
-8.73 |
-0.66 |
0 |
|
|
79821 |
49830601 |
1 |
O3N4H24C29 |
A3B4C24D29 |
27.46 |
4.08 |
-8.51 |
-1.4 |
0 |
|
|
79822 |
49830602 |
1 |
N5C16H19 |
A5B16C19 |
71.12 |
2.94 |
-8.2 |
-0.31 |
0 |
|
|
79823 |
49830624 |
1 |
ION5C11H14 |
ABC5D11E14 |
29.64 |
2.66 |
-9.12 |
-1.53 |
0 |
|
|
79824 |
49830629 |
1 |
ON4C15H18 |
AB4C15D18 |
7.91 |
7.11 |
-9.74 |
-1.04 |
0 |
|
|
79825 |
49830636 |
1 |
OSN4C27H30 |
ABC4D27E30 |
127.94 |
4.8 |
-8.45 |
-0.56 |
0 |
|
|
79826 |
49830640 |
1 |
FN6H15C20 |
AB6C15D20 |
105.32 |
4.38 |
-9.17 |
-1.38 |
0 |
|
|
79827 |
49830652 |
1 |
N4O5C29H30 |
A4B5C29D30 |
-96.62 |
3.87 |
-8.88 |
-1.53 |
0 |
|
|
79828 |
49830654 |
2 |
ON3C14H16 |
AB3C14D16 |
9.72 |
4.34 |
-8.65 |
-0.86 |
0 |
|
|
79829 |
49830660 |
1 |
N4O5C29H30 |
A4B5C29D30 |
-98.26 |
6.63 |
-9.16 |
-1.44 |
0 |
|
|
79830 |
49830684 |
1 |
O2F3N4H13C17 |
A2B3C4D13E17 |
-158.79 |
8.23 |
-8.81 |
-1.43 |
0 |
|
|
79831 |
49830685 |
1 |
OF3N4H13C17 |
AB3C4D13E17 |
-127.69 |
6.63 |
-8.88 |
-1.38 |
0 |
|
|
79832 |
49830687 |
1 |
OF4N4H10C16 |
AB4C4D10E16 |
-162.33 |
7.83 |
-9.41 |
-1.44 |
0 |
|
|
79833 |
49830702 |
1 |
ClO4N5H10C14 |
AB4C5D10E14 |
-62.24 |
7.78 |
-9.58 |
-1.76 |
0 |
|
|
79835 |
49830723 |
1 |
NO3F4H17C19 |
AB3C4D17E19 |
-271.65 |
3.24 |
-9.48 |
-0.81 |
0 |
|
|
79836 |
49830727 |
1 |
BrSN5C11H14 |
ABC5D11E14 |
48.57 |
4.98 |
-8.54 |
-0.61 |
0 |
|
|
79837 |
49830739 |
1 |
SO2N4C16H16 |
AB2C4D16E16 |
-13.02 |
8.38 |
-8.55 |
-0.61 |
0 |
|
|
79838 |
49830740 |
1 |
O2N3C17H21 |
A2B3C17D21 |
-13.28 |
6.47 |
-8.7 |
-0.87 |
0 |
|
|
79839 |
49830754 |
1 |
ON4C18H20 |
AB4C18D20 |
2.51 |
4.17 |
-7.99 |
-0.31 |
0 |
|
|
79840 |
49830764 |
1 |
ON7C18H21 |
AB7C18D21 |
66.1 |
7.49 |
-8.59 |
-0.72 |
0 |
|
|
79841 |
49830772 |
1 |
SN2O3H14C15 |
AB2C3D14E15 |
-27.63 |
3.54 |
-8.97 |
-1.1 |
0 |
|
|
79842 |
49830782 |
1 |
FN3H10C13 |
AB3C10D13 |
35.34 |
2.16 |
-8.35 |
-0.46 |
0 |
|
|
79843 |
49830784 |
1 |
N3H11C13 |
A3B11C13 |
84.17 |
1.96 |
-8.27 |
-0.36 |
0 |
|
|
79844 |
49830791 |
1 |
N2S2O3H12C15 |
A2B2C3D12E15 |
-49.83 |
7.38 |
-9.41 |
-1.7 |
0 |
|
|
79845 |
49830795 |
1 |
N2S2O3H14C16 |
A2B2C3D14E16 |
-53.23 |
6.19 |
-9.41 |
-1.62 |
0 |
|
|
79846 |
49830802 |
2 |
FN3H9C10 |
AB3C9D10 |
42.46 |
6.95 |
-9.14 |
-1.3 |
0 |
|
|
79847 |
49830818 |
1 |
SO4N5H21C23 |
AB4C5D21E23 |
-51.22 |
8.48 |
-9.06 |
-1.05 |
0 |
|
|
79848 |
49830820 |
1 |
O2N3H11C14 |
A2B3C11D14 |
10.57 |
4.06 |
-8.61 |
-1.28 |
0 |
|
|
79849 |
49830821 |
1 |
ON4H20C22 |
AB4C20D22 |
65.98 |
6.22 |
-8.94 |
-1.37 |
0 |
|
|
79850 |
49830822 |
1 |
N2O2H14C19 |
A2B2C14D19 |
7.04 |
3.52 |
-8.84 |
-1.02 |
0 |
|
|
79851 |
49830839 |
1 |
ClN5O5H14C16 |
AB5C5D14E16 |
-98.6 |
2.15 |
-9.66 |
-1.89 |
0 |
|
|
79852 |
49830842 |
4 |
N2C6H7 |
A2B6C7 |
123.65 |
4.86 |
-7.89 |
-0.51 |
0 |
|
|
79853 |
49830843 |
1 |
F3N8C24H25 |
A3B8C24D25 |
-35.16 |
4.56 |
-8.16 |
-0.72 |
0 |