List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
73652 |
48419608 |
1 |
O2N3C23H25 |
A2B3C23D25 |
-1.29 |
6.02 |
-8.93 |
-0.38 |
0 |
|
|
73653 |
48419611 |
1 |
O2N3H23C24 |
A2B3C23D24 |
12.1 |
4.11 |
-8.3 |
-0.43 |
0 |
|
|
73654 |
48419619 |
1 |
ON3C20H29 |
AB3C20D29 |
-32.03 |
2.7 |
-8.35 |
-0.04 |
0 |
|
|
73655 |
48419624 |
1 |
O2N4C23H30 |
A2B4C23D30 |
-48.5 |
2.25 |
-8.42 |
-0.22 |
0 |
|
|
73656 |
48419627 |
2 |
ON2C11H15 |
AB2C11D15 |
-44.44 |
2.9 |
-8.43 |
0.01 |
0 |
|
|
73657 |
48419632 |
1 |
ON4C20H22 |
AB4C20D22 |
40.77 |
4.41 |
-7.87 |
-0.66 |
0 |
|
|
73658 |
48419634 |
1 |
ClO2N3C16H20 |
AB2C3D16E20 |
-26.06 |
4.62 |
-7.9 |
-0.32 |
0 |
|
|
73659 |
48419639 |
1 |
O2N3C24H25 |
A2B3C24D25 |
-5.59 |
2.92 |
-8.39 |
-0.3 |
0 |
|
|
73660 |
48419641 |
1 |
ClN3O3C20H20 |
AB3C3D20E20 |
-25.86 |
4.41 |
-9.18 |
-0.4 |
0 |
|
|
73661 |
48419642 |
1 |
O2N3C23H25 |
A2B3C23D25 |
-0.88 |
4.04 |
-9.04 |
-0.25 |
0 |
|
|
73662 |
48419653 |
1 |
Cl2O3N5H13C18 |
A2B3C5D13E18 |
-6.39 |
0.99 |
-9.28 |
-1.14 |
0 |
|
|
73663 |
48419655 |
1 |
ClO2N3C18H24 |
AB2C3D18E24 |
-32.78 |
2.34 |
-8.51 |
-0.37 |
0 |
|
|
73664 |
48419661 |
1 |
ClN2O3C16H25 |
AB2C3D16E25 |
-114.27 |
4.85 |
-9.86 |
-0.38 |
0 |
|
|
73665 |
48419688 |
1 |
N2O3C20H20 |
A2B3C20D20 |
-58.85 |
4.95 |
-8.94 |
-0.81 |
0 |
|
|
73666 |
48419690 |
1 |
FON4C20H21 |
ABC4D20E21 |
-18.89 |
3.45 |
-8.52 |
-0.79 |
0 |
|
|
73667 |
48419692 |
1 |
FON4C18H19 |
ABC4D18E19 |
-11.77 |
8.2 |
-8.82 |
-0.61 |
0 |
|
|
73668 |
48419696 |
1 |
BrOSN2C17H17 |
ABCD2E17F17 |
24.36 |
2.37 |
-8.17 |
-0.6 |
0 |
|
|
73669 |
48419698 |
1 |
ON4C24H28 |
AB4C24D28 |
26.54 |
2.19 |
-8.95 |
-0.67 |
0 |
|
|
73670 |
48419702 |
1 |
ON3C22H29 |
AB3C22D29 |
-13.58 |
1.59 |
-8.47 |
0.18 |
0 |
|
|
73671 |
48419717 |
1 |
O2N4C21H28 |
A2B4C21D28 |
-28.55 |
4.36 |
-8.81 |
-0.64 |
0 |
|
|
73672 |
48419723 |
1 |
SN2O2F3H13C14 |
AB2C2D3E13F14 |
-200.16 |
2.64 |
-9.16 |
-1.03 |
0 |
|
|
73673 |
48419731 |
1 |
SN3O5C17H19 |
AB3C5D17E19 |
-77.33 |
8.07 |
-9.07 |
-1.56 |
0 |
|
|
73674 |
48419767 |
1 |
FO2N3H16C18 |
AB2C3D16E18 |
-34.34 |
2.66 |
-8.57 |
-0.86 |
0 |
|
|
73675 |
48419774 |
1 |
Cl2N3O3C17H17 |
A2B3C3D17E17 |
-78.86 |
3.2 |
-8.58 |
-0.91 |
0 |
|
|
73676 |
48419778 |
1 |
SN2O5C19H22 |
AB2C5D19E22 |
-86.88 |
3.95 |
-8.68 |
-1.59 |
0 |
|
|
73677 |
48419797 |
1 |
BrClSN2O2C12H12 |
ABCD2E2F12G12 |
-13.28 |
3.4 |
-9.48 |
-0.84 |
0 |
|
|
73678 |
48419828 |
1 |
O2N4H18C21 |
A2B4C18D21 |
59.15 |
5.18 |
-8.88 |
-1.13 |
0 |
|
|
73679 |
48419993 |
1 |
BrO2N3C15H18 |
AB2C3D15E18 |
-37.51 |
3.28 |
-8.36 |
-0.52 |
0 |
|
|
73680 |
48419994 |
1 |
FN2O2C18H19 |
AB2C2D18E19 |
-81.77 |
2.56 |
-8.46 |
-0.14 |
0 |
|
|
73681 |
48419997 |
1 |
SN3O5C20H21 |
AB3C5D20E21 |
-76.12 |
9.16 |
-8.56 |
-1.79 |
0 |
|
|
73682 |
48419999 |
1 |
SN3O5C15H19 |
AB3C5D15E19 |
-105.1 |
4.64 |
-9.33 |
-1.88 |
0 |
|
|
73683 |
48420001 |
1 |
OSBr2N3C11H11 |
ABC2D3E11F11 |
22.71 |
1.29 |
-9.34 |
-0.78 |
0 |
|
|
73684 |
48420010 |
1 |
Cl2O3N4H14C18 |
A2B3C4D14E18 |
-12.52 |
2.82 |
-9.1 |
-1.07 |
0 |
|
|
73685 |
48420011 |
1 |
ClFO2N4H14C16 |
ABC2D4E14F16 |
-13.65 |
1.39 |
-8.83 |
-0.88 |
0 |
|
|
73686 |
48420012 |
1 |
Cl2O2F3N3H12C16 |
A2B2C3D3E12F16 |
-189.3 |
2.81 |
-9.27 |
-1.03 |
0 |
|
|
73687 |
48420016 |
1 |
ClNSO3C15H16 |
ABCD3E15F16 |
-81.07 |
4.91 |
-9.42 |
-1.12 |
0 |
|
|
73688 |
48420017 |
1 |
NSO3C16H19 |
ABC3D16E19 |
-81.01 |
5.25 |
-9.1 |
-0.75 |
0 |
|
|
73689 |
48420020 |
1 |
NS2O5C12H19 |
AB2C5D12E19 |
-172.62 |
10.56 |
-9.24 |
-0.34 |
0 |
|
|
73690 |
48420021 |
1 |
O3N5H15C16 |
A3B5C15D16 |
-60.82 |
11.12 |
-9.28 |
-1.21 |
0 |
|
|
73691 |
48420022 |
1 |
N4O4H18C19 |
A4B4C18D19 |
-106.19 |
5.5 |
-9.59 |
-1.44 |
0 |
|
|
73692 |
48420023 |
1 |
N3O5H17C18 |
A3B5C17D18 |
-155.32 |
10.47 |
-9.4 |
-1.28 |
0 |
|
|
73693 |
48420024 |
1 |
N3O4H17C18 |
A3B4C17D18 |
-122.55 |
8.01 |
-9.5 |
-1.36 |
0 |
|
|
73694 |
48420028 |
1 |
SN3O3H13C15 |
AB3C3D13E15 |
-66.23 |
7.29 |
-9.32 |
-1.41 |
0 |
|
|
73695 |
48420030 |
1 |
N3O3C15H17 |
A3B3C15D17 |
-104.46 |
9.17 |
-9.38 |
-1.28 |
0 |
|
|
73696 |
48420031 |
3 |
NOH5C6 |
ABC5D6 |
-68.69 |
6.9 |
-9.49 |
-1.36 |
0 |
|
|
73697 |
48420037 |
1 |
O3N4C20H20 |
A3B4C20D20 |
-59.42 |
8.22 |
-9.29 |
-1.35 |
0 |
|
|
73698 |
48420040 |
1 |
O3N4H12C15 |
A3B4C12D15 |
-53.3 |
7.59 |
-9.61 |
-1.42 |
0 |
|
|
73699 |
48420041 |
1 |
N4O5C16H18 |
A4B5C16D18 |
-181.26 |
6.22 |
-9.65 |
-1.48 |
0 |
|
|
73700 |
48420043 |
1 |
N3O3C19H19 |
A3B3C19D19 |
-84.57 |
8.25 |
-9.51 |
-1.35 |
0 |
|
|
73701 |
48420045 |
1 |
N4O4H18C19 |
A4B4C18D19 |
-100.69 |
8.29 |
-9.38 |
-1.32 |
0 |
|
|
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 |