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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
45695 |
10516592 |
1 |
O6C13H24 |
A6B13C24 |
-258.0 |
5.89 |
-9.61 |
0.92 |
0 |
|
|
45696 |
10516604 |
1 |
ON2H16C18 |
AB2C16D18 |
41.72 |
2.44 |
-8.0 |
-0.55 |
0 |
|
|
45697 |
10516610 |
1 |
O3C17H24 |
A3B17C24 |
-125.34 |
2.83 |
-9.47 |
0.12 |
0 |
|
|
45698 |
10516634 |
1 |
NSO5H7C12 |
ABC5D7E12 |
-26.17 |
4.53 |
-9.36 |
-2.57 |
0 |
|
|
45699 |
10516638 |
1 |
N3O4C13H15 |
A3B4C13D15 |
-83.66 |
4.2 |
-9.8 |
-0.9 |
0 |
|
|
45700 |
10516639 |
1 |
N3O4C13H15 |
A3B4C13D15 |
-83.82 |
5.73 |
-10.31 |
-1.27 |
0 |
|
|
45701 |
10516641 |
1 |
O2N3H11C16 |
A2B3C11D16 |
12.65 |
5.52 |
-8.99 |
-0.9 |
0 |
|
|
45702 |
10516647 |
1 |
NO4C15H19 |
AB4C15D19 |
-140.14 |
2.63 |
-9.69 |
0.0 |
0 |
|
|
45703 |
10516655 |
1 |
NO2H15C18 |
AB2C15D18 |
5.41 |
2.73 |
-10.16 |
-1.3 |
0 |
|
|
45704 |
10516683 |
1 |
ClF2H2N3O4C8 |
AB2C2D3E4F8 |
-142.36 |
3.97 |
-9.91 |
-2.58 |
0 |
|
|
45705 |
10516687 |
1 |
ClNSO3C11H16 |
ABCD3E11F16 |
-120.63 |
0.94 |
-8.84 |
0.15 |
0 |
|
|
45706 |
10516699 |
1 |
BrON3H8C11 |
ABC3D8E11 |
47.63 |
2.76 |
-9.02 |
-1.03 |
0 |
|
|
45707 |
10516721 |
1 |
SN2O3C13H14 |
AB2C3D13E14 |
-79.33 |
6.98 |
-8.79 |
-0.28 |
0 |
|
|
45708 |
10516726 |
2 |
O2C8H11 |
A2B8C11 |
-166.63 |
3.71 |
-9.59 |
-0.92 |
0 |
|
|
45709 |
10516740 |
1 |
O3C17H26 |
A3B17C26 |
-127.6 |
2.19 |
-9.46 |
0.49 |
0 |
|
|
45710 |
10516744 |
2 |
NOC8H13 |
ABC8D13 |
-105.25 |
3.08 |
-9.12 |
0.35 |
0 |
|
|
45711 |
10516760 |
1 |
ClIO2C6H12 |
ABC2D6E12 |
-86.5 |
2.18 |
-9.52 |
-1.16 |
0 |
|
|
45712 |
10516835 |
1 |
ClNO5C11H18 |
ABC5D11E18 |
-212.64 |
6.71 |
-10.12 |
-0.22 |
0 |
|
|
45713 |
10516848 |
1 |
N2O5C13H16 |
A2B5C13D16 |
-186.58 |
3.47 |
-9.57 |
-0.02 |
0 |
|
|
45714 |
10516849 |
1 |
N2O5C13H16 |
A2B5C13D16 |
-167.08 |
4.05 |
-8.75 |
-1.09 |
0 |
|
|
45715 |
10516877 |
4 |
OC4H6 |
AB4C6 |
-181.48 |
1.29 |
-8.2 |
0.4 |
0 |
|
|
45716 |
10516907 |
1 |
ClN2O4H9C12 |
AB2C4D9E12 |
-100.8 |
4.45 |
-9.52 |
-1.42 |
0 |
|
|
45717 |
10516909 |
1 |
ClON2H9C16 |
ABC2D9E16 |
39.67 |
2.62 |
-8.94 |
-1.66 |
0 |
|
|
45718 |
10516927 |
1 |
O2N5H11C14 |
A2B5C11D14 |
53.8 |
7.65 |
-9.52 |
-1.31 |
0 |
|
|
45719 |
10516930 |
1 |
SeC15H22 |
AB15C22 |
3.0 |
0.93 |
-8.06 |
0.32 |
0 |
|
|
45720 |
10516948 |
1 |
NO2C18H19 |
AB2C18D19 |
-28.22 |
5.85 |
-8.92 |
-0.14 |
0 |
|
|
45721 |
10516980 |
1 |
BrNSC12H12 |
ABCD12E12 |
58.84 |
6.82 |
-7.78 |
-1.43 |
0 |
|
|
45722 |
10516987 |
1 |
O3N4H10C14 |
A3B4C10D14 |
57.62 |
5.26 |
-9.23 |
-1.5 |
0 |
|
|
45723 |
10517018 |
1 |
ON4C16H18 |
AB4C16D18 |
56.7 |
5.79 |
-9.48 |
-0.82 |
0 |
|
|
45724 |
10517046 |
1 |
OSiC18H22 |
ABC18D22 |
-5.83 |
3.63 |
-8.92 |
-0.02 |
0 |
|
|
45725 |
10517053 |
1 |
OSiN2C15H30 |
ABC2D15E30 |
-71.25 |
3.71 |
-8.95 |
0.84 |
0 |
|
|
45726 |
10517055 |
1 |
OSiC17H34 |
ABC17D34 |
-122.02 |
1.53 |
-8.72 |
1.2 |
0 |
|
|
45727 |
10517061 |
1 |
ClN2O2C14H19 |
AB2C2D14E19 |
-70.59 |
1.25 |
-8.83 |
-0.05 |
0 |
|
|
45728 |
10517080 |
1 |
SO3N5C10H13 |
AB3C5D10E13 |
-20.78 |
4.59 |
-9.72 |
-0.7 |
0 |
|
|
45729 |
10517142 |
1 |
ON2F4H8C13 |
AB2C4D8E13 |
-130.45 |
4.65 |
-10.18 |
-1.16 |
0 |
|
|
45730 |
10517147 |
1 |
N2O4H12C15 |
A2B4C12D15 |
-91.34 |
2.06 |
-9.29 |
-1.57 |
0 |
|
|
45731 |
10517153 |
2 |
O3C7H10 |
A3B7C10 |
-252.52 |
5.26 |
-9.76 |
-0.01 |
0 |
|
|
45732 |
10517163 |
1 |
N2O3C16H16 |
A2B3C16D16 |
-61.01 |
6.05 |
-8.53 |
-1.24 |
0 |
|
|
45733 |
10517171 |
1 |
OF3C16H19 |
AB3C16D19 |
-179.04 |
4.21 |
-9.66 |
-0.1 |
0 |
|
|
45734 |
10517177 |
1 |
SN2O2H12C15 |
AB2C2D12E15 |
-6.77 |
5.36 |
-9.2 |
-0.77 |
0 |
|
|
45735 |
10517184 |
1 |
O3C18H20 |
A3B18C20 |
-78.56 |
2.27 |
-8.38 |
-0.05 |
0 |
|
|
45736 |
10517199 |
4 |
OC4H7 |
AB4C7 |
-168.11 |
2.07 |
-8.96 |
0.41 |
0 |
|
|
45737 |
10517201 |
1 |
O2C19H24 |
A2B19C24 |
-34.43 |
6.95 |
-9.45 |
-0.72 |
0 |
|
|
45738 |
10517208 |
1 |
SO3C15H24 |
AB3C15D24 |
-159.14 |
1.93 |
-8.88 |
0.24 |
0 |
|
|
45739 |
10517216 |
1 |
OSiC18H24 |
ABC18D24 |
-43.02 |
0.96 |
-9.02 |
0.26 |
0 |
|
|
45740 |
10517227 |
1 |
SCl2O5H6C8 |
AB2C5D6E8 |
-192.61 |
6.87 |
-10.64 |
-1.62 |
0 |
|
|
45741 |
10517234 |
1 |
N3O6C11H15 |
A3B6C11D15 |
-261.59 |
8.33 |
-9.89 |
-0.5 |
0 |
|
|
45742 |
10517235 |
1 |
BrOSiC12H17 |
ABCD12E17 |
-53.73 |
2.85 |
-8.62 |
-0.03 |
0 |
|
|
45743 |
10517240 |
1 |
NO6C13H19 |
AB6C13D19 |
-263.66 |
8.02 |
-10.19 |
-0.2 |
0 |
|
|
45744 |
10517247 |
1 |
NO5C14H23 |
AB5C14D23 |
-260.4 |
7.2 |
-10.05 |
0.57 |
0 |
|
|
45745 |
10517252 |
1 |
O2N3C16H19 |
A2B3C16D19 |
-31.24 |
5.25 |
-9.04 |
-0.32 |
0 |
|
|
45746 |
10517256 |
1 |
SN3O3C12H19 |
AB3C3D12E19 |
-113.75 |
8.49 |
-9.82 |
-0.42 |
0 |
|
|
45747 |
10517260 |
1 |
NO4C15H27 |
AB4C15D27 |
-127.86 |
1.89 |
-9.37 |
0.63 |
0 |
|
|
45748 |
10517266 |
1 |
NO2C18H23 |
AB2C18D23 |
-49.52 |
3.13 |
-8.96 |
0.02 |
0 |
|
|
45750 |
10517284 |
1 |
ClNOH16C17 |
ABCD16E17 |
-2.52 |
3.24 |
-8.13 |
-0.28 |
0 |
|
|
45751 |
10517291 |
2 |
HN5C6 |
AB5C6 |
259.83 |
0.1 |
-9.7 |
-3.11 |
0 |
|
|
45752 |
10517292 |
1 |
O6H10C15 |
A6B10C15 |
-174.61 |
5.25 |
-8.78 |
-1.34 |
0 |
|
|
45753 |
10517315 |
1 |
O4C17H18 |
A4B17C18 |
-100.26 |
0.95 |
-9.41 |
-0.28 |
0 |
|
|
45754 |
10517321 |
1 |
N2O3C16H18 |
A2B3C16D18 |
-93.79 |
4.98 |
-9.68 |
-0.44 |
0 |
|
|
45755 |
10517327 |
1 |
PSO3C13H19 |
ABC3D13E19 |
-184.27 |
2.87 |
-9.3 |
-0.14 |
0 |
|
|
45756 |
10517335 |
1 |
O5C15H26 |
A5B15C26 |
-250.43 |
1.04 |
-9.87 |
0.8 |
0 |
|
|
45757 |
10517343 |
1 |
SO2C17H18 |
AB2C17D18 |
-44.37 |
5.14 |
-9.26 |
-0.18 |
0 |
|
|
45758 |
10517347 |
2 |
O2C8H15 |
A2B8C15 |
-226.34 |
2.85 |
-9.93 |
-0.04 |
0 |
|
|
45759 |
10517349 |
1 |
N2O3C15H30 |
A2B3C15D30 |
-183.0 |
6.04 |
-8.95 |
1.37 |
0 |
|
|
45760 |
10517358 |
1 |
OS3C13H18 |
AB3C13D18 |
-25.74 |
2.97 |
-8.51 |
-0.55 |
0 |
|
|
45761 |
10517361 |
1 |
ClN2O2H11C15 |
AB2C2D11E15 |
45.49 |
5.73 |
-9.05 |
-1.84 |
0 |
|
|
45762 |
10517384 |
1 |
NPO4C13H22 |
ABC4D13E22 |
-212.63 |
3.29 |
-9.32 |
-0.24 |
0 |
|
|
45763 |
10517393 |
1 |
NO3C17H21 |
AB3C17D21 |
-78.51 |
4.43 |
-8.4 |
0.08 |
0 |
|
|
45764 |
10517422 |
1 |
ClFNOH11C16 |
ABCDE11F16 |
-21.68 |
3.83 |
-8.94 |
-1.05 |
0 |
|
|
45765 |
10517423 |
1 |
ClNO4C13H18 |
ABC4D13E18 |
-149.37 |
2.34 |
-10.13 |
-1.46 |
0 |
|
|
45766 |
10517426 |
1 |
ClN3C16H18 |
AB3C16D18 |
49.82 |
4.15 |
-8.56 |
-0.05 |
0 |
|
|
45767 |
10517427 |
1 |
IO2H9C10 |
AB2C9D10 |
-29.16 |
2.7 |
-9.59 |
-1.37 |
0 |
|
|
45768 |
10517452 |
2 |
O3C7H12 |
A3B7C12 |
-273.73 |
4.75 |
-10.34 |
0.06 |
0 |
|
|
45769 |
10517453 |
1 |
O4C17H20 |
A4B17C20 |
-109.87 |
4.2 |
-9.01 |
-0.51 |
0 |
|
|
45770 |
10517457 |
1 |
N2O3C16H20 |
A2B3C16D20 |
-121.2 |
4.22 |
-9.62 |
-0.28 |
0 |
|
|
45771 |
10517468 |
2 |
N2H8C9 |
A2B8C9 |
126.3 |
4.61 |
-8.47 |
-0.46 |
0 |
|
|
45772 |
10517469 |
2 |
N2H8C9 |
A2B8C9 |
118.83 |
6.56 |
-8.68 |
-0.29 |
0 |
|
|
45773 |
10517473 |
3 |
OC6H8 |
AB6C8 |
-120.23 |
4.02 |
-9.47 |
0.19 |
0 |
|
|
45774 |
10517477 |
2 |
SO2C6H8 |
AB2C6D8 |
-168.9 |
6.17 |
-9.36 |
-1.23 |
0 |
|
|
45775 |
10517488 |
1 |
SiO5C13H24 |
AB5C13D24 |
-291.41 |
6.9 |
-9.42 |
0.1 |
0 |
|
|
45776 |
10517501 |
1 |
OC20H32 |
AB20C32 |
-72.21 |
1.85 |
-9.16 |
1.36 |
0 |
|
|
45777 |
10517557 |
1 |
NO2C18H27 |
AB2C18D27 |
-94.09 |
1.57 |
-8.57 |
0.22 |
0 |
|
|
45778 |
10517568 |
1 |
ClO2N3H12C14 |
AB2C3D12E14 |
0.66 |
3.33 |
-9.54 |
-1.18 |
0 |
|
|
45779 |
10517571 |
1 |
ClNO2C16H16 |
ABC2D16E16 |
-4.35 |
2.57 |
-8.46 |
-0.24 |
0 |
|
|
45780 |
10517586 |
1 |
NOCl2S2H5C10 |
ABC2D2E5F10 |
25.24 |
1.81 |
-9.17 |
-1.71 |
0 |
|
|
45781 |
10517604 |
1 |
ON4H14C17 |
AB4C14D17 |
76.5 |
6.54 |
-8.5 |
-0.84 |
0 |
|
|
45782 |
10517605 |
1 |
ON4H14C17 |
AB4C14D17 |
66.5 |
7.16 |
-8.52 |
-1.23 |
0 |
|
|
45783 |
10517613 |
1 |
O4C17H22 |
A4B17C22 |
-162.02 |
4.12 |
-10.04 |
-1.28 |
0 |
|
|
45784 |
10517620 |
1 |
ON2H18C19 |
AB2C18D19 |
30.28 |
6.42 |
-9.09 |
-0.2 |
0 |
|
|
45785 |
10517630 |
1 |
O3C18H26 |
A3B18C26 |
-141.46 |
1.05 |
-8.98 |
0.48 |
0 |
|
|
45786 |
10517631 |
1 |
OC21H22 |
AB21C22 |
23.42 |
3.43 |
-9.25 |
0.14 |
0 |
|
|
45787 |
10517647 |
1 |
SSiC17H26 |
ABC17D26 |
-27.41 |
1.89 |
-8.03 |
0.65 |
0 |
|
|
45788 |
10517648 |
1 |
ClSO3H7C14 |
ABC3D7E14 |
-36.16 |
5.19 |
-8.73 |
-1.42 |
0 |
|
|
45789 |
10517661 |
1 |
O2F4H5N5C9 |
A2B4C5D5E9 |
-108.99 |
2.07 |
-9.77 |
-2.11 |
0 |
|
|
45790 |
10517662 |
1 |
BrOC15H15 |
ABC15D15 |
9.79 |
2.75 |
-9.5 |
-0.06 |
0 |
|
|
45791 |
10517663 |
1 |
BrN2C14H15 |
AB2C14D15 |
75.17 |
4.18 |
-8.66 |
-0.47 |
0 |
|
|
45792 |
10517666 |
1 |
NSF3O3H8C11 |
ABC3D3E8F11 |
-203.32 |
1.87 |
-10.06 |
-1.78 |
0 |
|
|
45793 |
10517667 |
1 |
NSF3O3H8C11 |
ABC3D3E8F11 |
-202.87 |
5.24 |
-10.09 |
-1.7 |
0 |
|
|
45794 |
10517675 |
1 |
NO3H13C18 |
AB3C13D18 |
-23.8 |
4.74 |
-9.11 |
-1.39 |
0 |
|
|
45795 |
10517676 |
1 |
NO3H13C18 |
AB3C13D18 |
-35.66 |
0.9 |
-8.55 |
-0.97 |
0 |