List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
145664 |
53567907 |
1 |
N3O3C19H29 |
A3B3C19D29 |
-136.9 |
8.26 |
-8.98 |
0.01 |
0 |
|
|
145665 |
53567945 |
1 |
ON3C14H21 |
AB3C14D21 |
2.88 |
2.95 |
-8.99 |
0.57 |
0 |
|
|
145666 |
53568177 |
1 |
F3N8C13H13 |
A3B8C13D13 |
-27.74 |
5.23 |
-9.96 |
-1.48 |
0 |
|
|
145667 |
53568422 |
1 |
BrO2N4C11H11 |
AB2C4D11E11 |
8.04 |
4.17 |
-9.82 |
-0.87 |
0 |
|
|
145668 |
53569090 |
2 |
ClNOC8H10 |
ABCD8E10 |
-108.11 |
2.18 |
-9.54 |
-0.59 |
0 |
|
|
145669 |
53569091 |
1 |
ClN2O3C17H17 |
AB2C3D17E17 |
-93.94 |
4.36 |
-9.63 |
-0.81 |
0 |
|
|
145670 |
53569349 |
1 |
O2N4C17H22 |
A2B4C17D22 |
-17.67 |
3.95 |
-9.63 |
-0.07 |
0 |
|
|
145671 |
53569448 |
1 |
O3N5C18H19 |
A3B5C18D19 |
-54.44 |
6.31 |
-10.08 |
-1.23 |
0 |
|
|
145672 |
53569546 |
1 |
O2N5C16H17 |
A2B5C16D17 |
77.1 |
5.38 |
-8.9 |
-0.56 |
0 |
|
|
145673 |
53569547 |
1 |
OSN5C14H19 |
ABC5D14E19 |
30.9 |
6.31 |
-9.32 |
-0.44 |
0 |
|
|
145674 |
53569693 |
1 |
OSF3N5C11H16 |
ABC3D5E11F16 |
-133.97 |
8.26 |
-9.58 |
-1.37 |
0 |
|
|
145675 |
53569694 |
1 |
ClO2N3C18H22 |
AB2C3D18E22 |
-82.08 |
6.49 |
-8.86 |
-0.5 |
0 |
|
|
145676 |
53569695 |
1 |
F3O3N4H11C14 |
A3B3C4D11E14 |
-199.03 |
1.99 |
-9.81 |
-0.97 |
0 |
|
|
145677 |
53569696 |
1 |
OSN5H15C16 |
ABC5D15E16 |
58.85 |
5.39 |
-8.49 |
-0.47 |
0 |
|
|
145678 |
53569697 |
1 |
ClN3O3C16H16 |
AB3C3D16E16 |
-66.96 |
5.09 |
-8.57 |
-0.76 |
0 |
|
|
145679 |
53569698 |
8 |
NC2H2 |
AB2C2 |
131.75 |
5.53 |
-8.45 |
-0.92 |
0 |
|
|
145680 |
53569699 |
1 |
N3O3H19C20 |
A3B3C19D20 |
-58.7 |
8.53 |
-8.61 |
-0.12 |
0 |
|
|
145681 |
53570271 |
1 |
OSN5C17H23 |
ABC5D17E23 |
46.72 |
5.01 |
-9.09 |
-0.32 |
0 |
|
|
145682 |
53570380 |
1 |
SO3N4C15H22 |
AB3C4D15E22 |
-40.4 |
5.03 |
-9.45 |
-0.94 |
0 |
|
|
145683 |
53570936 |
1 |
ON5C18H19 |
AB5C18D19 |
58.97 |
4.53 |
-9.04 |
-0.84 |
0 |
|
|
145684 |
53570937 |
1 |
O2N5C17H25 |
A2B5C17D25 |
-0.42 |
5.37 |
-8.66 |
-0.07 |
0 |
|
|
145685 |
53570938 |
1 |
ON4C19H28 |
AB4C19D28 |
9.35 |
4.87 |
-8.49 |
-0.25 |
0 |
|
|
145686 |
53571616 |
1 |
ON3C12H19 |
AB3C12D19 |
-16.41 |
2.72 |
-9.2 |
-0.41 |
0 |
|
|
145687 |
53571629 |
1 |
SO2N6C13H18 |
AB2C6D13E18 |
19.21 |
5.72 |
-9.31 |
-1.11 |
0 |
|
|
145688 |
53571721 |
1 |
S2N3O4C12H21 |
A2B3C4D12E21 |
-128.36 |
3.14 |
-8.87 |
-0.54 |
0 |
|
|
145689 |
53571722 |
1 |
ON3C18H25 |
AB3C18D25 |
-11.11 |
4.32 |
-8.6 |
-0.08 |
0 |
|
|
145690 |
53571908 |
1 |
OF3N3C16H16 |
AB3C3D16E16 |
-128.56 |
2.84 |
-8.73 |
-0.69 |
0 |
|
|
145691 |
53571909 |
1 |
O2N5C19H27 |
A2B5C19D27 |
-31.06 |
5.71 |
-9.1 |
0.18 |
0 |
|
|
145692 |
53572599 |
1 |
ClFN2O3C16H18 |
ABC2D3E16F18 |
-159.72 |
4.0 |
-9.2 |
-0.88 |
0 |
|
|
145693 |
53572637 |
1 |
S2N3O3C14H17 |
A2B3C3D14E17 |
-60.13 |
9.04 |
-8.78 |
-0.64 |
0 |
|
|
145694 |
53572638 |
1 |
N4O4C17H24 |
A4B4C17D24 |
-183.23 |
2.69 |
-7.96 |
-0.12 |
0 |
|
|
145695 |
53573862 |
1 |
N2O3C17H20 |
A2B3C17D20 |
-49.13 |
5.75 |
-9.45 |
-0.21 |
0 |
|
|
145696 |
53574209 |
2 |
NSO2C7H10 |
ABC2D7E10 |
-162.04 |
6.39 |
-8.65 |
-0.76 |
0 |
|
|
145697 |
53575288 |
1 |
OSN2F3H13C15 |
ABC2D3E13F15 |
-135.52 |
4.03 |
-9.59 |
-1.52 |
0 |
|
|
145698 |
53576038 |
1 |
ClSN3O3H14C16 |
ABC3D3E14F16 |
20.69 |
5.6 |
-9.38 |
-1.26 |
0 |
|
|
145699 |
53577003 |
1 |
O2N3C16H29 |
A2B3C16D29 |
-89.19 |
1.21 |
-8.72 |
1.04 |
0 |
|
|
145700 |
53577004 |
1 |
N3O3C19H21 |
A3B3C19D21 |
-64.84 |
2.71 |
-9.2 |
-0.36 |
0 |
|
|
145701 |
53577877 |
1 |
ON6C17H24 |
AB6C17D24 |
20.01 |
6.15 |
-9.11 |
-1.18 |
0 |
|
|
145702 |
53577901 |
1 |
FO2N4C18H19 |
AB2C4D18E19 |
-79.65 |
6.57 |
-8.98 |
-0.9 |
0 |
|
|
145703 |
53578012 |
1 |
SO2N4C17H18 |
AB2C4D17E18 |
5.27 |
2.52 |
-8.16 |
-0.81 |
0 |
|
|
145704 |
53578013 |
1 |
N3O3C19H23 |
A3B3C19D23 |
-50.11 |
7.07 |
-9.35 |
0.04 |
0 |
|
|
145705 |
53578325 |
1 |
SN4O5C12H16 |
AB4C5D12E16 |
-107.64 |
3.03 |
-9.27 |
-0.97 |
0 |
|
|
145706 |
53578468 |
1 |
FN5C20H20 |
AB5C20D20 |
66.8 |
3.86 |
-8.86 |
-0.64 |
0 |
|
|
145707 |
53578605 |
1 |
N3O3H17C20 |
A3B3C17D20 |
-47.79 |
8.51 |
-8.69 |
-0.79 |
0 |
|
|
145708 |
53578974 |
1 |
N2O3S3C13H20 |
A2B3C3D13E20 |
-113.11 |
6.16 |
-8.6 |
-0.84 |
0 |
|
|
145709 |
53579073 |
1 |
N3O3C18H29 |
A3B3C18D29 |
-120.46 |
3.91 |
-9.15 |
0.18 |
0 |
|
|
145710 |
53579217 |
1 |
OSN6C16H18 |
ABC6D16E18 |
74.35 |
1.34 |
-8.98 |
-1.6 |
0 |
|
|
145711 |
53579796 |
1 |
FO2N4C17H25 |
AB2C4D17E25 |
-32.19 |
6.74 |
-8.78 |
-0.87 |
0 |
|
|
145712 |
53580900 |
1 |
ClN3O3C15H20 |
AB3C3D15E20 |
-123.08 |
5.67 |
-8.65 |
-0.14 |
0 |
|
|
145713 |
53580950 |
1 |
O3N4C18H18 |
A3B4C18D18 |
-7.05 |
2.08 |
-9.22 |
-0.47 |
0 |
|
|
145714 |
53580951 |
1 |
ClOSN4H13C16 |
ABCD4E13F16 |
56.23 |
8.17 |
-8.98 |
-1.45 |
0 |
|
|
145715 |
53580952 |
1 |
SO2N5C16H19 |
AB2C5D16E19 |
-21.19 |
7.03 |
-8.9 |
-1.05 |
0 |
|
|
145716 |
53580967 |
2 |
ON2C10H10 |
AB2C10D10 |
9.63 |
4.32 |
-8.64 |
-0.71 |
0 |
|
|
145717 |
53581160 |
1 |
N3O3C19H25 |
A3B3C19D25 |
-101.62 |
8.16 |
-8.48 |
0.21 |
0 |
|
|
145718 |
53581332 |
1 |
O2N4C19H22 |
A2B4C19D22 |
0.01 |
3.13 |
-9.34 |
-0.41 |
0 |
|
|
145719 |
53581366 |
1 |
ClOSN4C13H15 |
ABCD4E13F15 |
41.55 |
6.22 |
-9.41 |
-0.93 |
0 |
|
|
145720 |
53581367 |
1 |
N3O3C17H27 |
A3B3C17D27 |
-138.77 |
4.84 |
-8.6 |
0.17 |
0 |
|
|
145721 |
53581368 |
2 |
NOC7H13 |
ABC7D13 |
-123.52 |
4.22 |
-9.14 |
1.13 |
0 |
|
|
145722 |
53581565 |
1 |
N2O2F3C16H17 |
A2B2C3D16E17 |
-183.33 |
4.9 |
-8.23 |
-0.27 |
0 |
|
|
145723 |
53581632 |
1 |
N2O3C15H20 |
A2B3C15D20 |
-124.58 |
3.8 |
-9.19 |
-0.04 |
0 |
|
|
145724 |
53581754 |
1 |
OSN6H14C15 |
ABC6D14E15 |
83.46 |
4.17 |
-8.74 |
-1.74 |
0 |
|
|
145725 |
53582112 |
1 |
ClN2O2C19H21 |
AB2C2D19E21 |
-18.92 |
7.18 |
-9.58 |
-0.17 |
0 |
|
|
145726 |
53582638 |
1 |
SF2N2O2C14H14 |
AB2C2D2E14F14 |
-156.02 |
2.81 |
-9.04 |
-0.64 |
0 |
|
|
145727 |
53582639 |
1 |
FN2O2C16H19 |
AB2C2D16E19 |
-116.22 |
4.75 |
-9.44 |
-0.15 |
0 |
|
|
145728 |
53582640 |
1 |
ON4C16H20 |
AB4C16D20 |
37.19 |
4.31 |
-9.47 |
-0.49 |
0 |
|
|
145729 |
53582930 |
1 |
O3N4C17H20 |
A3B4C17D20 |
-0.4 |
9.09 |
-9.51 |
-1.35 |
0 |
|
|
145730 |
53583208 |
1 |
ClO3N4C13H13 |
AB3C4D13E13 |
-2.61 |
8.65 |
-9.78 |
-1.43 |
0 |
|
|
145731 |
53583321 |
1 |
ClO2N3C15H18 |
AB2C3D15E18 |
-37.27 |
5.0 |
-9.6 |
-0.28 |
0 |
|
|
145732 |
53583466 |
1 |
OSN6C16H18 |
ABC6D16E18 |
63.88 |
6.91 |
-8.62 |
-0.99 |
0 |
|
|
145733 |
53583467 |
1 |
ClSO2N4H13C15 |
ABC2D4E13F15 |
11.59 |
5.22 |
-9.02 |
-0.83 |
0 |
|
|
145734 |
53583492 |
1 |
FON4C16H19 |
ABC4D16E19 |
-27.78 |
7.74 |
-9.37 |
-0.24 |
0 |
|
|
145735 |
53583493 |
3 |
NOC5H7 |
ABC5D7 |
-116.37 |
3.22 |
-8.75 |
0.09 |
0 |
|
|
145736 |
53583682 |
1 |
BrFN2O2H12C14 |
ABC2D2E12F14 |
-42.78 |
1.49 |
-9.34 |
-0.8 |
0 |
|
|
145737 |
53583683 |
1 |
O3N5C17H27 |
A3B5C17D27 |
-126.72 |
4.16 |
-8.78 |
-0.12 |
0 |
|
|
145738 |
53583684 |
2 |
NOC7H7 |
ABC7D7 |
-47.64 |
8.92 |
-9.07 |
-0.7 |
0 |
|
|
145739 |
53583685 |
1 |
SN3O5C11H23 |
AB3C5D11E23 |
-205.21 |
4.09 |
-8.73 |
-0.45 |
0 |
|
|
145740 |
53585161 |
1 |
N3O4C16H19 |
A3B4C16D19 |
-129.66 |
7.56 |
-9.0 |
-0.24 |
0 |
|
|
145741 |
53585623 |
1 |
N3O3C19H19 |
A3B3C19D19 |
-49.37 |
2.54 |
-8.74 |
-0.6 |
0 |
|
|
145742 |
53585849 |
1 |
O2N3C18H21 |
A2B3C18D21 |
-16.86 |
3.34 |
-8.82 |
-0.21 |
0 |
|
|
145743 |
53586164 |
1 |
SO2N5H13C14 |
AB2C5D13E14 |
45.17 |
3.88 |
-9.29 |
-0.78 |
0 |
|
|
145744 |
53586188 |
1 |
O2N4C19H28 |
A2B4C19D28 |
-70.85 |
6.63 |
-8.4 |
0.28 |
0 |
|
|
145745 |
53586425 |
1 |
ClN3O3C15H22 |
AB3C3D15E22 |
-113.73 |
4.53 |
-8.05 |
0.01 |
0 |
|
|
145746 |
53586426 |
1 |
O2S2N4C13H24 |
A2B2C4D13E24 |
-72.98 |
4.0 |
-8.49 |
-0.05 |
0 |
|
|
145747 |
53586758 |
1 |
SF2N2O3C15H18 |
AB2C2D3E15F18 |
-166.03 |
1.41 |
-10.07 |
-1.21 |
0 |
|
|
145748 |
53587036 |
1 |
ON5C20H23 |
AB5C20D23 |
41.38 |
2.18 |
-9.45 |
-0.22 |
0 |
|
|
145749 |
53587298 |
1 |
O2F3N3C16H18 |
A2B3C3D16E18 |
-190.7 |
2.45 |
-9.83 |
-0.64 |
0 |
|
|
145750 |
53587299 |
1 |
ClFN3O3H13C16 |
ABC3D3E13F16 |
-91.95 |
4.3 |
-10.0 |
-0.96 |
0 |
|
|
145751 |
53587714 |
1 |
SN2O4C16H24 |
AB2C4D16E24 |
-161.02 |
7.7 |
-8.75 |
0.09 |
0 |
|
|
145752 |
53587715 |
1 |
N3O5C15H17 |
A3B5C15D17 |
-78.22 |
10.77 |
-9.01 |
-1.14 |
0 |
|
|
145753 |
53587716 |
1 |
ON4C18H24 |
AB4C18D24 |
2.15 |
8.36 |
-8.92 |
0.32 |
0 |
|
|
145754 |
53587717 |
1 |
ClOSN3C14H18 |
ABCD3E14F18 |
3.3 |
3.77 |
-8.68 |
-0.32 |
0 |
|
|
145755 |
53587718 |
1 |
N2O4C19H28 |
A2B4C19D28 |
-167.12 |
7.82 |
-8.76 |
0.08 |
0 |
|
|
145756 |
53587719 |
1 |
NSF2O2H13C14 |
ABC2D2E13F14 |
-126.01 |
3.96 |
-8.87 |
-0.72 |
0 |
|
|
145757 |
53587720 |
1 |
SO2N3C16H27 |
AB2C3D16E27 |
-108.56 |
6.19 |
-9.28 |
-0.43 |
0 |
|
|
145758 |
53587721 |
1 |
ClO2N5C16H16 |
AB2C5D16E16 |
14.84 |
7.52 |
-9.59 |
-0.51 |
0 |
|
|
145759 |
53587722 |
1 |
O2N3H19C21 |
A2B3C19D21 |
21.71 |
8.17 |
-8.56 |
-0.55 |
0 |
|
|
145760 |
53588570 |
1 |
SO2N3C16H23 |
AB2C3D16E23 |
-23.31 |
3.3 |
-8.96 |
-0.06 |
0 |
|
|
145761 |
53588833 |
1 |
F2N3O4C15H19 |
A2B3C4D15E19 |
-250.65 |
6.48 |
-9.09 |
-0.5 |
0 |
|
|
145762 |
53589437 |
1 |
N2S2O3C14H14 |
A2B2C3D14E14 |
-65.56 |
2.4 |
-9.36 |
-1.37 |
0 |
|
|
145763 |
53589438 |
1 |
O2N3C20H25 |
A2B3C20D25 |
-29.18 |
2.83 |
-8.8 |
-0.06 |
0 |