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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
428566 |
135167680 |
1 |
NO2C10H21 |
AB2C10D21 |
-134.13 |
2.28 |
-9.74 |
1.3 |
0 |
|
|
428567 |
135167681 |
1 |
N2C21H42 |
A2B21C42 |
-75.56 |
1.72 |
-8.34 |
2.92 |
0 |
|
|
428568 |
135167682 |
1 |
ION3C28H40 |
ABC3D28E40 |
8.79 |
3.32 |
-7.84 |
-1.27 |
0 |
|
|
428569 |
135167683 |
1 |
N2C19H38 |
A2B19C38 |
-63.65 |
0.29 |
-8.02 |
2.71 |
0 |
|
|
428570 |
135167684 |
1 |
ON3C21H43 |
AB3C21D43 |
-89.98 |
1.94 |
-7.95 |
2.47 |
0 |
|
|
428571 |
135167685 |
1 |
N2C19H38 |
A2B19C38 |
-51.68 |
1.98 |
-8.36 |
2.72 |
0 |
|
|
428572 |
135167686 |
1 |
N2O3C17H34 |
A2B3C17D34 |
-121.73 |
2.96 |
-9.07 |
1.33 |
0 |
|
|
428573 |
135167687 |
1 |
N3C17H33 |
A3B17C33 |
-25.1 |
1.86 |
-8.6 |
2.64 |
0 |
|
|
428574 |
135167688 |
1 |
N2C17H34 |
A2B17C34 |
-52.96 |
2.63 |
-8.48 |
2.91 |
0 |
|
|
428575 |
135167689 |
1 |
ON3C19H39 |
AB3C19D39 |
-76.14 |
2.13 |
-8.04 |
2.26 |
0 |
|
|
428576 |
135167690 |
1 |
N3C24H41 |
A3B24C41 |
-12.11 |
1.56 |
-8.09 |
0.5 |
0 |
|
|
428577 |
135167691 |
1 |
ON2C14H28 |
AB2C14D28 |
-54.71 |
3.52 |
-8.71 |
2.09 |
0 |
|
|
428578 |
135167692 |
1 |
ON2C16H34 |
AB2C16D34 |
-98.25 |
1.61 |
-8.49 |
2.31 |
0 |
|
|
428579 |
135167693 |
1 |
N2O3C25H48 |
A2B3C25D48 |
-151.5 |
4.53 |
-8.65 |
2.05 |
0 |
|
|
428580 |
135167694 |
1 |
O2N3C23H39 |
A2B3C23D39 |
-68.06 |
3.12 |
-8.69 |
-0.14 |
0 |
|
|
428581 |
135167695 |
1 |
O4C25H42 |
A4B25C42 |
-120.76 |
1.27 |
-9.54 |
1.1 |
0 |
|
|
428582 |
135167696 |
1 |
O3N4C28H58 |
A3B4C28D58 |
-187.36 |
1.62 |
-8.23 |
1.69 |
0 |
|
|
428583 |
135167697 |
1 |
O6C25H36 |
A6B25C36 |
-219.62 |
3.48 |
-8.11 |
0.26 |
0 |
|
|
428584 |
135167698 |
1 |
N3C16H31 |
A3B16C31 |
-17.32 |
3.05 |
-8.15 |
1.68 |
0 |
|
|
428585 |
135167699 |
1 |
NO4C9H19 |
AB4C9D19 |
-186.8 |
1.97 |
-9.81 |
0.73 |
0 |
|
|
428586 |
135167700 |
1 |
N3O5C28H37 |
A3B5C28D37 |
-203.48 |
7.83 |
-8.05 |
-0.28 |
0 |
|
|
428587 |
135167701 |
1 |
F3N4O4C30H39 |
A3B4C4D30E39 |
-329.08 |
7.86 |
-7.91 |
-0.37 |
0 |
|
|
428588 |
135167702 |
2 |
ON2C14H19 |
AB2C14D19 |
-89.22 |
5.23 |
-8.38 |
-0.13 |
0 |
|
|
428589 |
135167703 |
1 |
O2N3C31H35 |
A2B3C31D35 |
-58.11 |
5.96 |
-8.33 |
-0.25 |
0 |
|
|
428590 |
135167704 |
1 |
N3O3C32H41 |
A3B3C32D41 |
-122.83 |
6.04 |
-8.6 |
-0.26 |
0 |
|
|
428591 |
135167714 |
1 |
N7O10C49H63 |
A7B10C49D63 |
-383.7 |
10.74 |
-8.2 |
-1.48 |
0 |
|
|
428592 |
135167721 |
1 |
BrO3C14H19 |
AB3C14D19 |
-127.79 |
6.51 |
-9.36 |
-0.03 |
0 |
|
|
428593 |
135167722 |
1 |
N5O6C44H55 |
A5B6C44D55 |
-210.8 |
5.37 |
-8.47 |
-0.25 |
0 |
|
|
428594 |
135167723 |
1 |
O4N5C36H49 |
A4B5C36D49 |
-144.36 |
7.97 |
-8.52 |
-0.24 |
0 |
|
|
428595 |
135167724 |
2 |
N2O4C23H28 |
A2B4C23D28 |
-297.6 |
3.85 |
-8.65 |
-0.6 |
0 |
|
|
428596 |
135167725 |
1 |
N4O8C45H54 |
A4B8C45D54 |
-296.03 |
8.12 |
-8.75 |
-0.97 |
0 |
|
|
428597 |
135167726 |
1 |
BrNO5C23H26 |
ABC5D23E26 |
-168.83 |
5.54 |
-9.02 |
-0.72 |
0 |
|
|
428598 |
135167728 |
1 |
N5O5C39H53 |
A5B5C39D53 |
-218.01 |
6.42 |
-8.61 |
-0.29 |
0 |
|
|
428599 |
135167778 |
1 |
ClSO9N10C57H71 |
ABC9D10E57F71 |
-222.29 |
8.17 |
-8.15 |
-1.37 |
0 |
|
|
428600 |
135167779 |
1 |
SO9N11C60H79 |
AB9C11D60E79 |
-303.11 |
6.37 |
-8.39 |
-0.6 |
0 |
|
|
428601 |
135167780 |
1 |
SN7O8C60H81 |
AB7C8D60E81 |
-313.91 |
13.64 |
-8.04 |
-0.56 |
0 |
|
|
428602 |
135167781 |
1 |
N7O7C51H63 |
A7B7C51D63 |
-238.54 |
8.74 |
-7.85 |
-1.49 |
0 |
|
|
428603 |
135167782 |
1 |
SN7O8C59H75 |
AB7C8D59E75 |
-228.38 |
8.84 |
-8.02 |
-0.73 |
0 |
|
|
428604 |
135167783 |
1 |
SN7O9C62H73 |
AB7C9D62E73 |
-302.14 |
10.31 |
-8.51 |
-0.81 |
0 |
|
|
428605 |
135167784 |
1 |
SN7O9C60H77 |
AB7C9D60E77 |
-265.85 |
4.01 |
-7.91 |
-0.64 |
0 |
|
|
428606 |
135167786 |
1 |
SN7O8C61H79 |
AB7C8D61E79 |
-240.94 |
9.87 |
-7.95 |
-0.77 |
0 |
|
|
428607 |
135167787 |
1 |
SN7O9C60H77 |
AB7C9D60E77 |
-271.05 |
9.42 |
-7.87 |
-0.82 |
0 |
|
|
428608 |
135167788 |
1 |
SO2N4C33H44 |
AB2C4D33E44 |
-60.94 |
6.96 |
-8.64 |
-0.55 |
0 |
|
|
428609 |
135167789 |
1 |
N2O2H14C15 |
A2B2C14D15 |
-28.42 |
2.53 |
-9.22 |
-1.01 |
0 |
|
|
428610 |
135167790 |
1 |
O2N4C31H50 |
A2B4C31D50 |
-131.34 |
1.52 |
-8.47 |
0.61 |
0 |
|
|
428611 |
135167791 |
1 |
FN4O4C29H39 |
AB4C4D29E39 |
-207.11 |
8.14 |
-8.05 |
-0.26 |
0 |
|
|
428612 |
135167792 |
1 |
N3O3C17H19 |
A3B3C17D19 |
-98.78 |
6.17 |
-9.01 |
-1.23 |
0 |
|
|
428613 |
135167793 |
1 |
O2N5C28H33 |
A2B5C28D33 |
-30.53 |
5.7 |
-8.74 |
-0.53 |
0 |
|
|
428614 |
135167794 |
1 |
SO3N4C34H42 |
AB3C4D34E42 |
-71.66 |
2.85 |
-8.41 |
-0.89 |
0 |
|
|
428615 |
135167795 |
1 |
N2O3C17H34 |
A2B3C17D34 |
-151.54 |
4.22 |
-8.15 |
0.36 |
0 |
|
|
428616 |
135167796 |
1 |
ON2C17H34 |
AB2C17D34 |
-92.62 |
2.03 |
-8.3 |
2.24 |
0 |
|
|
428617 |
135167797 |
1 |
NC12H25 |
AB12C25 |
-35.82 |
1.67 |
-8.77 |
1.33 |
0 |
|
|
428618 |
135167798 |
2 |
NOC8H17 |
ABC8D17 |
-139.59 |
2.62 |
-8.06 |
2.22 |
0 |
|
|
428619 |
135167799 |
2 |
NOC8H17 |
ABC8D17 |
-140.09 |
3.51 |
-8.24 |
2.24 |
0 |
|
|
428620 |
135167800 |
1 |
ON4C15H28 |
AB4C15D28 |
-14.6 |
2.7 |
-8.69 |
-0.4 |
0 |
|
|
428621 |
135167801 |
1 |
NC10H21 |
AB10C21 |
-34.14 |
2.04 |
-8.57 |
3.28 |
0 |
|
|
428622 |
135167802 |
1 |
FNO3C18H26 |
ABC3D18E26 |
-181.61 |
1.92 |
-9.14 |
-0.1 |
0 |
|
|
428623 |
135167803 |
1 |
NOC18H35 |
ABC18D35 |
-109.52 |
1.82 |
-8.56 |
2.35 |
0 |
|
|
428624 |
135167804 |
1 |
ON2C17H34 |
AB2C17D34 |
-89.44 |
3.46 |
-8.38 |
2.31 |
0 |
|
|
428625 |
135167805 |
1 |
ON2C17H36 |
AB2C17D36 |
-96.3 |
1.36 |
-8.14 |
2.06 |
0 |
|
|
428626 |
135167806 |
1 |
ON2C18H36 |
AB2C18D36 |
-84.24 |
1.56 |
-8.11 |
2.36 |
0 |
|
|
428627 |
135167807 |
1 |
ON3C18H37 |
AB3C18D37 |
-94.46 |
1.83 |
-8.04 |
2.65 |
0 |
|
|
428628 |
135167808 |
1 |
N3C19H39 |
A3B19C39 |
-52.29 |
1.67 |
-8.04 |
2.69 |
0 |
|
|
428629 |
135167809 |
1 |
N4C17H36 |
A4B17C36 |
-31.59 |
0.1 |
-7.96 |
2.48 |
0 |
|
|
428630 |
135167810 |
1 |
N3C18H37 |
A3B18C37 |
-48.69 |
1.99 |
-8.1 |
2.65 |
0 |
|
|
428631 |
135167811 |
1 |
SN2C14H30 |
AB2C14D30 |
-44.43 |
1.77 |
-7.99 |
1.08 |
0 |
|
|
428632 |
135167812 |
1 |
NC11H13 |
AB11C13 |
51.51 |
3.11 |
-8.54 |
-0.41 |
0 |
|
|
428633 |
135167813 |
2 |
NOC10H20 |
ABC10D20 |
-146.66 |
2.75 |
-8.1 |
2.32 |
0 |
|
|
428634 |
135167814 |
1 |
N3C17H37 |
A3B17C37 |
-55.42 |
1.39 |
-8.19 |
2.65 |
0 |
|
|
428635 |
135167816 |
1 |
O7C18H36 |
A7B18C36 |
-309.36 |
2.29 |
-9.87 |
0.56 |
0 |
|
|
428636 |
135167817 |
1 |
O7C21H34 |
A7B21C34 |
-287.74 |
1.32 |
-8.48 |
0.38 |
0 |
|
|
428637 |
135167818 |
1 |
O7C15H30 |
A7B15C30 |
-295.13 |
3.38 |
-9.97 |
0.48 |
0 |
|
|
428638 |
135167819 |
1 |
N4C15H30 |
A4B15C30 |
0.93 |
1.09 |
-8.22 |
1.58 |
0 |
|
|
428639 |
135167820 |
1 |
NC16H33 |
AB16C33 |
-67.17 |
1.99 |
-9.04 |
3.6 |
0 |
|
|
428640 |
135167821 |
2 |
NOC13H23 |
ABC13D23 |
-131.41 |
2.83 |
-8.63 |
0.51 |
0 |
|
|
428641 |
135167830 |
1 |
NO2C20H39 |
AB2C20D39 |
-141.56 |
3.34 |
-8.52 |
2.23 |
0 |
|
|
428642 |
135167839 |
1 |
NS3C20H37 |
AB3C20D37 |
-20.52 |
3.46 |
-8.92 |
-1.34 |
0 |
|
|
428643 |
135167840 |
1 |
PO2S2C7H12 |
AB2C2D7E12 |
-84.44 |
5.65 |
0.0 |
0.0 |
0 |
|
|
428644 |
135167841 |
1 |
BrIO2C11H12 |
ABC2D11E12 |
-41.61 |
4.14 |
-9.09 |
-1.16 |
0 |
|
|
428645 |
135167842 |
1 |
BrN3O4C12H18 |
AB3C4D12E18 |
-94.35 |
5.42 |
-10.06 |
-1.01 |
0 |
|
|
428646 |
135167843 |
1 |
NOF2C14H19 |
ABC2D14E19 |
-140.87 |
1.8 |
-9.1 |
-0.08 |
0 |
|
|
428647 |
135167888 |
1 |
SN2H48C78 |
AB2C48D78 |
348.08 |
1.73 |
-7.94 |
-0.79 |
0 |
|
|
428648 |
135167899 |
2 |
NH24C38 |
AB24C38 |
334.24 |
0.83 |
-7.85 |
-0.81 |
0 |
|
|
428649 |
135167900 |
1 |
ON2H48C78 |
AB2C48D78 |
315.82 |
1.55 |
-7.86 |
-0.82 |
0 |
|
|
428650 |
135167901 |
1 |
N2H50C75 |
A2B50C75 |
307.34 |
1.25 |
-7.78 |
-0.7 |
0 |
|
|
428651 |
135167902 |
2 |
NH21C34 |
AB21C34 |
306.07 |
1.42 |
-8.04 |
-0.5 |
0 |
|
|
428652 |
135167903 |
2 |
NH21C34 |
AB21C34 |
307.91 |
2.15 |
-7.92 |
-0.52 |
0 |
|
|
428653 |
135167904 |
2 |
NH21C35 |
AB21C35 |
314.78 |
1.42 |
-8.0 |
-0.66 |
0 |
|
|
428654 |
135167905 |
2 |
NH21C35 |
AB21C35 |
312.66 |
1.38 |
-7.98 |
-0.63 |
0 |
|
|
428655 |
135167906 |
1 |
SN2H44C74 |
AB2C44D74 |
333.52 |
2.75 |
-8.08 |
-0.63 |
0 |
|
|
428656 |
135167907 |
1 |
SN2H44C74 |
AB2C44D74 |
421.9 |
2.83 |
-7.93 |
-0.68 |
0 |
|
|
428657 |
135167908 |
1 |
N3H49C80 |
A3B49C80 |
364.84 |
3.23 |
-8.01 |
-0.65 |
0 |
|
|
428658 |
135167909 |
2 |
NH21C34 |
AB21C34 |
304.21 |
1.78 |
-7.92 |
-0.61 |
0 |
|
|
428659 |
135167910 |
1 |
N3H49C80 |
A3B49C80 |
445.48 |
2.37 |
-8.06 |
-0.62 |
0 |
|
|
428660 |
135167911 |
2 |
NH21C34 |
AB21C34 |
305.37 |
1.88 |
-7.98 |
-0.53 |
0 |
|
|
428661 |
135167912 |
1 |
N3H45C74 |
A3B45C74 |
340.41 |
3.29 |
-7.74 |
-0.54 |
0 |
|
|
428662 |
135167913 |
2 |
NH22C36 |
AB22C36 |
321.56 |
0.7 |
-8.01 |
-0.58 |
0 |
|
|
428663 |
135167914 |
1 |
ON2H46C78 |
AB2C46D78 |
323.49 |
0.62 |
-8.01 |
-0.79 |
0 |
|
|
428664 |
135167915 |
3 |
NH17C28 |
AB17C28 |
381.28 |
1.42 |
-7.95 |
-0.83 |
0 |
|
|
428665 |
135167916 |
2 |
NH20C33 |
AB20C33 |
299.0 |
1.29 |
-7.96 |
-0.57 |
0 |