List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
73702 |
48420046 |
1 |
ClN3O3H14C17 |
AB3C3D14E17 |
-81.25 |
7.55 |
-9.55 |
-1.44 |
0 |
|
|
73703 |
48420047 |
1 |
N3O3C16H19 |
A3B3C16D19 |
-113.84 |
8.92 |
-9.45 |
-1.31 |
0 |
|
|
73704 |
48420048 |
1 |
N3O3C17H19 |
A3B3C17D19 |
-99.66 |
8.46 |
-9.42 |
-1.35 |
0 |
|
|
73705 |
48420049 |
1 |
N3O4H15C17 |
A3B4C15D17 |
-105.44 |
10.36 |
-9.29 |
-1.28 |
0 |
|
|
73706 |
48420050 |
1 |
FN3O3H14C17 |
AB3C3D14E17 |
-119.01 |
7.54 |
-9.61 |
-1.44 |
0 |
|
|
73707 |
48420065 |
1 |
N4O5C17H20 |
A4B5C17D20 |
-195.9 |
8.69 |
-9.62 |
-1.42 |
0 |
|
|
73708 |
48420068 |
1 |
N3O4H17C18 |
A3B4C17D18 |
-111.86 |
9.77 |
-9.17 |
-1.3 |
0 |
|
|
73709 |
48420069 |
1 |
O2N4C11H14 |
A2B4C11D14 |
-13.06 |
4.71 |
-9.44 |
-0.08 |
0 |
|
|
73710 |
48420070 |
1 |
SO2N4C14H14 |
AB2C4D14E14 |
26.52 |
5.26 |
-9.01 |
-0.76 |
0 |
|
|
73711 |
48420071 |
2 |
ON2C7H10 |
AB2C7D10 |
-27.9 |
4.84 |
-9.26 |
-0.18 |
0 |
|
|
73712 |
48420072 |
1 |
ClN3O4C19H20 |
AB3C4D19E20 |
-117.81 |
5.73 |
-8.89 |
-0.87 |
0 |
|
|
73713 |
48420074 |
1 |
N2O4C17H20 |
A2B4C17D20 |
-139.12 |
3.92 |
-9.17 |
-0.92 |
0 |
|
|
73714 |
48420075 |
2 |
NO2H7C9 |
AB2C7D9 |
-79.25 |
6.27 |
-9.28 |
-1.02 |
0 |
|
|
73715 |
48420077 |
1 |
FSN2O2H11C19 |
ABC2D2E11F19 |
-4.95 |
4.13 |
-9.09 |
-1.5 |
0 |
|
|
73716 |
48420078 |
1 |
N2O3H18C23 |
A2B3C18D23 |
-29.27 |
10.06 |
-8.83 |
-1.23 |
0 |
|
|
73717 |
48420079 |
1 |
N2O3H16C22 |
A2B3C16D22 |
-18.86 |
9.31 |
-8.85 |
-1.26 |
0 |
|
|
73718 |
48420080 |
1 |
NO4C19H19 |
AB4C19D19 |
-127.51 |
4.46 |
-9.38 |
-0.36 |
0 |
|
|
73719 |
48420082 |
1 |
SN4O4C16H22 |
AB4C4D16E22 |
-108.12 |
3.39 |
-9.64 |
-1.13 |
0 |
|
|
73720 |
48420084 |
1 |
N3O5H17C18 |
A3B5C17D18 |
-153.01 |
9.09 |
-9.39 |
-1.29 |
0 |
|
|
73721 |
48420089 |
4 |
NOC3H3 |
ABC3D3 |
-20.46 |
3.5 |
-10.4 |
-1.66 |
0 |
|
|
73722 |
48420090 |
1 |
BrO3N4C14H15 |
AB3C4D14E15 |
-52.23 |
4.79 |
-10.14 |
-0.94 |
0 |
|
|
73723 |
48420091 |
1 |
O2N5C18H19 |
A2B5C18D19 |
32.73 |
8.44 |
-9.33 |
-0.91 |
0 |
|
|
73724 |
48420093 |
1 |
SN4O5C17H22 |
AB4C5D17E22 |
-138.46 |
9.83 |
-9.85 |
-1.2 |
0 |
|
|
73725 |
48420096 |
1 |
SN4O4C18H24 |
AB4C4D18E24 |
-110.69 |
4.94 |
-9.39 |
-0.38 |
0 |
|
|
73726 |
48420099 |
1 |
O2N5C20H23 |
A2B5C20D23 |
16.78 |
7.75 |
-9.33 |
-0.69 |
0 |
|
|
73727 |
48420102 |
1 |
SO2N5H17C20 |
AB2C5D17E20 |
83.5 |
2.74 |
-9.05 |
-1.02 |
0 |
|
|
73728 |
48420104 |
2 |
OSN2H6C8 |
ABC2D6E8 |
49.33 |
4.76 |
-9.37 |
-1.8 |
0 |
|
|
73729 |
48420105 |
1 |
N4O4H16C17 |
A4B4C16D17 |
-58.38 |
10.06 |
-9.29 |
-1.0 |
0 |
|
|
73730 |
48420108 |
1 |
ClSN4O4C13H15 |
ABC4D4E13F15 |
-92.13 |
4.17 |
-10.06 |
-1.16 |
0 |
|
|
73731 |
48420110 |
1 |
SN4O5C17H22 |
AB4C5D17E22 |
-135.34 |
4.08 |
-9.71 |
-1.64 |
0 |
|
|
73732 |
48420121 |
1 |
FSN4O4H17C18 |
ABC4D4E17F18 |
-115.12 |
10.54 |
-9.39 |
-1.31 |
0 |
|
|
73733 |
48420132 |
1 |
SN4O4C20H20 |
AB4C4D20E20 |
-56.63 |
6.31 |
-9.35 |
-1.41 |
0 |
|
|
73734 |
48420135 |
1 |
SN4O4C16H20 |
AB4C4D16E20 |
-88.21 |
4.01 |
-9.49 |
-1.56 |
0 |
|
|
73735 |
48420142 |
1 |
O4N5C18H19 |
A4B5C18D19 |
-62.31 |
4.06 |
-9.96 |
-1.55 |
0 |
|
|
73736 |
48420150 |
1 |
O3N4H16C19 |
A3B4C16D19 |
12.58 |
4.93 |
-9.46 |
-1.0 |
0 |
|
|
73737 |
48420176 |
1 |
S2O3N4H14C16 |
A2B3C4D14E16 |
-3.34 |
2.91 |
-8.6 |
-0.93 |
0 |
|
|
73738 |
48420210 |
1 |
SN4O4C12H12 |
AB4C4D12E12 |
-6.99 |
10.48 |
-9.45 |
-2.02 |
0 |
|
|
73739 |
48420281 |
1 |
O2N5H17C20 |
A2B5C17D20 |
64.68 |
3.67 |
-9.28 |
-1.08 |
0 |
|
|
73740 |
48420282 |
2 |
ON2C8H8 |
AB2C8D8 |
-0.13 |
3.63 |
-9.37 |
-1.39 |
0 |
|
|
73741 |
48420286 |
1 |
F2N4O6H14C15 |
A2B4C6D14E15 |
-178.95 |
9.09 |
-10.18 |
-1.92 |
0 |
|
|
73742 |
48420290 |
1 |
SO3N4C14H16 |
AB3C4D14E16 |
-43.98 |
8.08 |
-9.29 |
-1.1 |
0 |
|
|
73743 |
48420291 |
1 |
FO3N5H14C18 |
AB3C5D14E18 |
-3.8 |
3.98 |
-10.09 |
-1.83 |
0 |
|
|
73744 |
48420292 |
1 |
SN4O4H14C15 |
AB4C4D14E15 |
-59.58 |
8.21 |
-9.31 |
-1.37 |
0 |
|
|
73745 |
48420293 |
1 |
O2N6H18C19 |
A2B6C18D19 |
58.44 |
4.6 |
-9.24 |
-1.38 |
0 |
|
|
73746 |
48420296 |
1 |
SO2N6C17H20 |
AB2C6D17E20 |
31.54 |
7.87 |
-9.22 |
-0.89 |
0 |
|
|
73747 |
48420297 |
1 |
ClSO2N6H13C14 |
ABC2D6E13F14 |
43.3 |
4.57 |
-9.48 |
-1.29 |
0 |
|
|
73748 |
48420298 |
1 |
O3N5H17C20 |
A3B5C17D20 |
24.42 |
3.5 |
-9.51 |
-1.71 |
0 |
|
|
73749 |
48420300 |
1 |
O3N6H18C22 |
A3B6C18D22 |
65.04 |
1.82 |
-9.42 |
-1.32 |
0 |
|
|
73750 |
48420303 |
1 |
O3N4C15H16 |
A3B4C15D16 |
-46.5 |
9.8 |
-9.17 |
-1.1 |
0 |
|
|
73751 |
48420315 |
1 |
O4N6H18C21 |
A4B6C18D21 |
52.03 |
9.53 |
-9.51 |
-1.52 |
0 |
|
|
73752 |
48420316 |
1 |
O4N5C14H17 |
A4B5C14D17 |
-30.15 |
7.2 |
-9.15 |
-1.17 |
0 |
|
|
73753 |
48420317 |
2 |
ON3C8H8 |
AB3C8D8 |
66.22 |
9.72 |
-9.99 |
-1.13 |
0 |
|
|
73754 |
48420318 |
2 |
N2O2C7H8 |
A2B2C7D8 |
-105.96 |
7.91 |
-9.62 |
-1.02 |
0 |
|
|
73755 |
48420319 |
1 |
O3N5C17H21 |
A3B5C17D21 |
-58.42 |
7.29 |
-8.9 |
-0.03 |
0 |
|
|
73756 |
48420320 |
1 |
SO4N5C17H19 |
AB4C5D17E19 |
-58.79 |
2.12 |
-10.01 |
-1.52 |
0 |
|
|
73757 |
48420324 |
1 |
SN4O4C16H16 |
AB4C4D16E16 |
-42.11 |
4.11 |
-8.51 |
-1.41 |
0 |
|
|
73758 |
48420327 |
1 |
F3N3O3H14C18 |
A3B3C3D14E18 |
-174.54 |
5.68 |
-9.72 |
-1.36 |
0 |
|
|
73759 |
48420328 |
1 |
FSO2N4H13C16 |
ABC2D4E13F16 |
-3.43 |
3.79 |
-9.51 |
-1.55 |
0 |
|
|
73760 |
48420335 |
1 |
SN4O4C13H14 |
AB4C4D13E14 |
-20.3 |
4.36 |
-9.48 |
-1.59 |
0 |
|
|
73761 |
48420337 |
2 |
ON2H9C10 |
AB2C9D10 |
35.68 |
5.82 |
-8.74 |
-0.54 |
0 |
|
|
73762 |
48420365 |
1 |
O3N4C15H16 |
A3B4C15D16 |
-35.83 |
8.89 |
-9.49 |
-0.93 |
0 |
|
|
73763 |
48420367 |
1 |
SN4O4C15H20 |
AB4C4D15E20 |
-104.27 |
2.14 |
-10.16 |
-1.5 |
0 |
|
|
73764 |
48420373 |
1 |
O3N5C16H17 |
A3B5C16D17 |
-40.17 |
8.68 |
-9.05 |
-0.55 |
0 |
|
|
73765 |
48420375 |
1 |
ClO2N5H12C14 |
AB2C5D12E14 |
33.07 |
3.41 |
-9.55 |
-1.25 |
0 |
|
|
73766 |
48420377 |
1 |
BrSN4O4C13H15 |
ABC4D4E13F15 |
-82.77 |
8.57 |
-9.96 |
-1.38 |
0 |
|
|
73767 |
48420383 |
2 |
ON2C9H10 |
AB2C9D10 |
-19.51 |
5.6 |
-8.64 |
-0.93 |
0 |
|
|
73768 |
48420385 |
1 |
BrN4O4C15H15 |
AB4C4D15E15 |
-45.05 |
5.54 |
-9.59 |
-1.31 |
0 |
|
|
73769 |
48420386 |
1 |
O3N4C18H18 |
A3B4C18D18 |
-23.3 |
7.22 |
-8.75 |
-0.6 |
0 |
|
|
73770 |
48420387 |
1 |
N3O6C15H17 |
A3B6C15D17 |
-161.34 |
6.34 |
-9.23 |
-1.06 |
0 |
|
|
73771 |
48420390 |
1 |
ClN3O3C14H14 |
AB3C3D14E14 |
-43.86 |
8.09 |
-9.31 |
-1.36 |
0 |
|
|
73772 |
48420393 |
1 |
O3N4H18C19 |
A3B4C18D19 |
0.75 |
5.2 |
-9.22 |
-1.09 |
0 |
|
|
73773 |
48420394 |
2 |
ON3C7H8 |
AB3C7D8 |
18.66 |
4.68 |
-9.41 |
-1.07 |
0 |
|
|
73774 |
48420395 |
1 |
O3N5C15H19 |
A3B5C15D19 |
-69.97 |
10.31 |
-9.37 |
-0.82 |
0 |
|
|
73775 |
48420396 |
1 |
ClO3N5H16C20 |
AB3C5D16E20 |
3.83 |
5.08 |
-9.53 |
-1.16 |
0 |
|
|
73776 |
48420398 |
1 |
O3N5C15H17 |
A3B5C15D17 |
-32.17 |
5.55 |
-9.31 |
-0.96 |
0 |