List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
130607 |
51091627 |
1 |
N3O3C17H25 |
A3B3C17D25 |
-136.58 |
3.45 |
-8.84 |
-0.08 |
0 |
|
|
130608 |
51091628 |
2 |
OSN2C7H9 |
ABC2D7E9 |
-27.39 |
4.03 |
-8.62 |
-1.13 |
0 |
|
|
130609 |
51091632 |
1 |
N3O3C19H19 |
A3B3C19D19 |
-35.25 |
4.34 |
-9.25 |
-0.91 |
0 |
|
|
130610 |
51091636 |
1 |
O2N4C19H24 |
A2B4C19D24 |
-17.11 |
7.08 |
-9.26 |
-1.22 |
0 |
|
|
130611 |
51091669 |
1 |
O3N4H14C16 |
A3B4C14D16 |
23.26 |
5.02 |
-9.07 |
-1.15 |
0 |
|
|
130612 |
51091671 |
1 |
ON3H13C15 |
AB3C13D15 |
38.72 |
3.38 |
-9.11 |
-0.73 |
0 |
|
|
130613 |
51091697 |
1 |
SO2N3C15H21 |
AB2C3D15E21 |
-52.61 |
6.98 |
-8.6 |
0.2 |
0 |
|
|
130614 |
51091698 |
1 |
SN2O5C15H22 |
AB2C5D15E22 |
-186.43 |
4.29 |
-8.89 |
-0.04 |
0 |
|
|
130615 |
51091700 |
1 |
NSO4C16H19 |
ABC4D16E19 |
-117.68 |
5.67 |
-8.63 |
-0.53 |
0 |
|
|
130616 |
51091734 |
1 |
ON6C18H20 |
AB6C18D20 |
77.88 |
4.16 |
-8.97 |
-1.22 |
0 |
|
|
130617 |
51091745 |
1 |
ON8C14H14 |
AB8C14D14 |
103.39 |
5.89 |
-9.91 |
-1.49 |
0 |
|
|
130618 |
51091747 |
1 |
ON8C16H16 |
AB8C16D16 |
108.62 |
3.33 |
-9.03 |
-1.43 |
0 |
|
|
130619 |
51091759 |
1 |
O2F4N5H9C12 |
A2B4C5D9E12 |
-205.81 |
6.85 |
-9.4 |
-0.92 |
0 |
|
|
130620 |
51091776 |
1 |
ON5C20H21 |
AB5C20D21 |
109.3 |
4.52 |
-9.26 |
-1.31 |
0 |
|
|
130621 |
51091777 |
1 |
ON7C16H17 |
AB7C16D17 |
81.96 |
5.09 |
-9.57 |
-1.24 |
0 |
|
|
130622 |
51091787 |
2 |
ON3H7C9 |
AB3C7D9 |
77.08 |
6.38 |
-9.35 |
-1.33 |
0 |
|
|
130623 |
51091790 |
1 |
SN2O3C17H20 |
AB2C3D17E20 |
-80.37 |
4.61 |
-8.79 |
-0.68 |
0 |
|
|
130624 |
51091796 |
1 |
O3N4C16H24 |
A3B4C16D24 |
-134.36 |
4.32 |
-9.42 |
-0.49 |
0 |
|
|
130625 |
51091800 |
1 |
SO2N4C16H18 |
AB2C4D16E18 |
-30.81 |
2.29 |
-9.27 |
-0.61 |
0 |
|
|
130626 |
51091805 |
1 |
OF3N6C14H17 |
AB3C6D14E17 |
-117.52 |
5.32 |
-9.41 |
-1.36 |
0 |
|
|
130627 |
51091810 |
1 |
FN2O3C18H19 |
AB2C3D18E19 |
-132.89 |
5.91 |
-9.11 |
-0.55 |
0 |
|
|
130628 |
51091811 |
1 |
O2N6C17H18 |
A2B6C17D18 |
27.6 |
2.9 |
-9.49 |
-1.31 |
0 |
|
|
130629 |
51091814 |
1 |
N2S2O3C15H18 |
A2B2C3D15E18 |
-89.54 |
6.46 |
-8.89 |
-0.68 |
0 |
|
|
130630 |
51091817 |
1 |
N3O3C17H25 |
A3B3C17D25 |
-146.22 |
4.29 |
-8.47 |
-0.16 |
0 |
|
|
130631 |
51091818 |
1 |
ClFSN2O2H14C15 |
ABCD2E2F14G15 |
-95.53 |
4.88 |
-9.18 |
-0.6 |
0 |
|
|
130632 |
51091822 |
1 |
O2N3C19H27 |
A2B3C19D27 |
-57.42 |
6.0 |
-8.4 |
0.06 |
0 |
|
|
130633 |
51091832 |
1 |
F2O2N3C17H19 |
A2B2C3D17E19 |
-129.8 |
2.49 |
-8.75 |
-0.57 |
0 |
|
|
130634 |
51091834 |
1 |
OF3N3C16H18 |
AB3C3D16E18 |
-154.77 |
5.29 |
-9.14 |
-0.05 |
0 |
|
|
130635 |
51091837 |
1 |
OSN6C14H14 |
ABC6D14E14 |
80.35 |
5.97 |
-9.67 |
-1.29 |
0 |
|
|
130636 |
51091841 |
1 |
ON6C18H18 |
AB6C18D18 |
78.25 |
6.64 |
-8.63 |
-1.24 |
0 |
|
|
130637 |
51091842 |
1 |
FSN2O2C17H19 |
ABC2D2E17F19 |
-102.78 |
5.29 |
-9.12 |
-0.47 |
0 |
|
|
130638 |
51091844 |
1 |
FSN3O3C13H14 |
ABC3D3E13F14 |
-108.4 |
3.28 |
-9.03 |
-0.96 |
0 |
|
|
130639 |
51091848 |
1 |
OSN4C18H18 |
ABC4D18E18 |
53.1 |
4.09 |
-9.06 |
-0.49 |
0 |
|
|
130640 |
51091858 |
1 |
ON6C17H18 |
AB6C17D18 |
79.53 |
2.5 |
-8.69 |
-0.37 |
0 |
|
|
130641 |
51091877 |
2 |
ON2C9H10 |
AB2C9D10 |
9.43 |
3.09 |
-8.56 |
-0.41 |
0 |
|
|
130642 |
51091879 |
1 |
ON5C19H19 |
AB5C19D19 |
39.52 |
4.41 |
-8.23 |
-1.07 |
0 |
|
|
130643 |
51091880 |
1 |
N3O3H17C18 |
A3B3C17D18 |
-56.38 |
3.95 |
-8.63 |
-1.07 |
0 |
|
|
130644 |
51091881 |
1 |
N2O2F3H13C14 |
A2B2C3D13E14 |
-207.08 |
1.96 |
-8.74 |
-0.78 |
0 |
|
|
130645 |
51091882 |
1 |
O2N5C19H19 |
A2B5C19D19 |
26.37 |
5.24 |
-8.75 |
-1.32 |
0 |
|
|
130646 |
51091884 |
1 |
OSN6C15H16 |
ABC6D15E16 |
60.09 |
5.52 |
-9.28 |
-1.29 |
0 |
|
|
130647 |
51091887 |
1 |
O3N5H13C16 |
A3B5C13D16 |
12.5 |
3.96 |
-9.09 |
-1.3 |
0 |
|
|
130648 |
51091888 |
1 |
OSN5C15H15 |
ABC5D15E15 |
69.46 |
4.32 |
-8.96 |
-1.28 |
0 |
|
|
130649 |
51091890 |
1 |
ON7C15H15 |
AB7C15D15 |
65.92 |
6.17 |
-9.2 |
-1.11 |
0 |
|
|
130650 |
51091891 |
1 |
ClSO2N4C13H13 |
ABC2D4E13F13 |
-22.99 |
2.57 |
-9.0 |
-1.87 |
0 |
|
|
130651 |
51091892 |
1 |
OF3N4H13C14 |
AB3C4D13E14 |
-145.47 |
2.08 |
-9.15 |
-0.93 |
0 |
|
|
130652 |
51091899 |
1 |
ON4C20H20 |
AB4C20D20 |
63.99 |
6.92 |
-9.53 |
-1.17 |
0 |
|
|
130653 |
51091901 |
1 |
ON4C18H24 |
AB4C18D24 |
5.32 |
2.39 |
-8.93 |
0.28 |
0 |
|
|
130654 |
51091902 |
1 |
O2N3C20H29 |
A2B3C20D29 |
-69.59 |
4.34 |
-8.76 |
0.38 |
0 |
|
|
130655 |
51091906 |
1 |
ON4C20H28 |
AB4C20D28 |
-11.1 |
5.27 |
-8.81 |
0.43 |
0 |
|
|
130656 |
51091914 |
1 |
ON3C18H21 |
AB3C18D21 |
9.91 |
2.5 |
-8.89 |
-0.77 |
0 |
|
|
130657 |
51091915 |
1 |
N2O2C17H24 |
A2B2C17D24 |
-77.23 |
1.76 |
-8.93 |
0.38 |
0 |
|
|
130658 |
51091917 |
1 |
ClN2S2O3C13H13 |
AB2C2D3E13F13 |
-79.6 |
4.02 |
-9.83 |
-1.3 |
0 |
|
|
130659 |
51091919 |
1 |
ClNSO4C14H14 |
ABCD4E14F14 |
-123.03 |
6.42 |
-9.77 |
-0.96 |
0 |
|
|
130660 |
51091922 |
1 |
ClNSO3C15H18 |
ABCD3E15F18 |
-109.3 |
5.25 |
-9.66 |
-0.89 |
0 |
|
|
130661 |
51091928 |
1 |
O2N4C19H24 |
A2B4C19D24 |
-36.06 |
4.99 |
-8.74 |
-0.16 |
0 |
|
|
130662 |
51091929 |
1 |
SO2N3C17H21 |
AB2C3D17E21 |
-48.23 |
3.16 |
-8.7 |
-0.61 |
0 |
|
|
130663 |
51091930 |
1 |
N2O3C19H22 |
A2B3C19D22 |
-105.77 |
2.52 |
-8.77 |
0.0 |
0 |
|
|
130664 |
51091935 |
1 |
ON5C19H19 |
AB5C19D19 |
57.64 |
4.39 |
-9.28 |
-1.24 |
0 |
|
|
130665 |
51091936 |
1 |
OSN6C14H14 |
ABC6D14E14 |
76.77 |
4.6 |
-9.4 |
-1.55 |
0 |
|
|
130666 |
51091937 |
1 |
SO3N4C14H18 |
AB3C4D14E18 |
-56.44 |
3.27 |
-9.52 |
-0.71 |
0 |
|
|
130667 |
51091939 |
1 |
O3N4C18H22 |
A3B4C18D22 |
-75.5 |
6.25 |
-8.45 |
-0.37 |
0 |
|
|
130668 |
51091940 |
1 |
N2O4C19H22 |
A2B4C19D22 |
-130.35 |
3.9 |
-8.47 |
-0.47 |
0 |
|
|
130669 |
51091942 |
1 |
SN2O3C15H16 |
AB2C3D15E16 |
-79.08 |
5.1 |
-8.46 |
-1.0 |
0 |
|
|
130670 |
51091944 |
1 |
N2O5C18H18 |
A2B5C18D18 |
-148.72 |
5.54 |
-8.43 |
-0.66 |
0 |
|
|
130671 |
51091973 |
1 |
N3O4C16H21 |
A3B4C16D21 |
-51.38 |
5.3 |
-9.35 |
-1.3 |
0 |
|
|
130672 |
51091976 |
1 |
F3O3N4C12H19 |
A3B3C4D12E19 |
-307.77 |
7.11 |
-9.68 |
-0.09 |
0 |
|
|
130673 |
51091977 |
1 |
OSF3N3C15H16 |
ABC3D3E15F16 |
-162.55 |
4.42 |
-9.31 |
-0.95 |
0 |
|
|
130674 |
51091979 |
1 |
N2F3O3C16H19 |
A2B3C3D16E19 |
-273.83 |
4.87 |
-9.6 |
-0.78 |
0 |
|
|
130675 |
51091981 |
1 |
O2F3N3C15H18 |
A2B3C3D15E18 |
-231.13 |
4.49 |
-9.56 |
-0.43 |
0 |
|
|
130676 |
51091982 |
1 |
O2F3N3C16H18 |
A2B3C3D16E18 |
-196.25 |
3.45 |
-9.56 |
-0.88 |
0 |
|
|
130677 |
51091985 |
1 |
FN2O2C16H23 |
AB2C2D16E23 |
-141.18 |
4.29 |
-9.64 |
-0.29 |
0 |
|
|
130678 |
51091986 |
1 |
FN2O2C16H23 |
AB2C2D16E23 |
-140.62 |
3.44 |
-9.64 |
-0.3 |
0 |
|
|
130679 |
51091994 |
1 |
ClN3O3C16H24 |
AB3C3D16E24 |
-119.09 |
3.19 |
-8.88 |
-0.76 |
0 |
|
|
130680 |
51091995 |
1 |
FO2N3C17H24 |
AB2C3D17E24 |
-123.83 |
2.91 |
-8.68 |
-0.58 |
0 |
|
|
130681 |
51092004 |
1 |
SN2O3C18H22 |
AB2C3D18E22 |
-86.2 |
1.96 |
-9.23 |
-0.95 |
0 |
|
|
130682 |
51092016 |
1 |
ClN3O3C17H18 |
AB3C3D17E18 |
-83.2 |
3.26 |
-9.3 |
-0.88 |
0 |
|
|
130683 |
51092017 |
1 |
OS2N4C16H18 |
AB2C4D16E18 |
17.74 |
5.74 |
-8.25 |
-0.8 |
0 |
|
|
130684 |
51092018 |
1 |
SN2O3C15H20 |
AB2C3D15E20 |
-113.54 |
8.6 |
-8.48 |
-0.18 |
0 |
|
|
130685 |
51092022 |
1 |
SO2N3H17C18 |
AB2C3D17E18 |
-12.62 |
1.15 |
-9.35 |
-0.82 |
0 |
|
|
130686 |
51092028 |
1 |
SO2N3C17H17 |
AB2C3D17E17 |
18.96 |
3.49 |
-9.43 |
-0.7 |
0 |
|
|
130687 |
51092033 |
1 |
ClN3O3C17H18 |
AB3C3D17E18 |
-90.92 |
7.34 |
-8.34 |
-0.98 |
0 |
|
|
130688 |
51092038 |
1 |
SO2N4C15H20 |
AB2C4D15E20 |
-31.53 |
2.09 |
-8.4 |
-0.55 |
0 |
|
|
130689 |
51092042 |
1 |
N2O2S2C15H18 |
A2B2C2D15E18 |
-41.85 |
3.63 |
-9.23 |
-0.5 |
0 |
|
|
130690 |
51092061 |
1 |
N2O3C20H28 |
A2B3C20D28 |
-128.49 |
2.7 |
-9.01 |
0.12 |
0 |
|
|
130691 |
51092062 |
1 |
O2N3C20H27 |
A2B3C20D27 |
-47.09 |
3.44 |
-8.85 |
0.27 |
0 |
|
|
130692 |
51092064 |
1 |
ClOSN4H15C16 |
ABCD4E15F16 |
44.38 |
2.53 |
-9.2 |
-0.94 |
0 |
|
|
130693 |
51092194 |
1 |
FN2O5C16H19 |
AB2C5D16E19 |
-241.14 |
6.61 |
-8.43 |
-0.23 |
0 |
|
|
130694 |
51092195 |
1 |
BrON4H13C15 |
ABC4D13E15 |
41.17 |
3.33 |
-8.82 |
-0.54 |
0 |
|
|
130695 |
51092213 |
1 |
N2O2C19H22 |
A2B2C19D22 |
-40.1 |
4.55 |
-9.51 |
-0.61 |
0 |
|
|
130696 |
51092214 |
1 |
NO2C20H27 |
AB2C20D27 |
-79.4 |
4.48 |
-9.36 |
0.11 |
0 |
|
|
130697 |
51093328 |
1 |
N3O3C16H23 |
A3B3C16D23 |
-113.97 |
5.5 |
-9.74 |
-0.51 |
0 |
|
|
130698 |
51093503 |
2 |
NOC6H11 |
ABC6D11 |
-99.7 |
3.6 |
-9.3 |
1.19 |
0 |
|
|
130699 |
51093586 |
1 |
O2N4C17H20 |
A2B4C17D20 |
-20.72 |
4.86 |
-9.69 |
-1.12 |
0 |
|
|
130700 |
51093587 |
1 |
OSN5C16H21 |
ABC5D16E21 |
40.78 |
9.12 |
-8.62 |
-0.89 |
0 |
|
|
130701 |
51093588 |
1 |
ON4C17H24 |
AB4C17D24 |
-0.84 |
4.6 |
-8.84 |
-0.58 |
0 |
|
|
130702 |
51093624 |
1 |
SO3N4C15H22 |
AB3C4D15E22 |
-94.11 |
8.6 |
-8.84 |
-0.44 |
0 |
|
|
130703 |
51093625 |
2 |
ON2C9H10 |
AB2C9D10 |
-22.91 |
1.76 |
-8.87 |
-1.01 |
0 |
|
|
130704 |
51093626 |
2 |
ON2C9H12 |
AB2C9D12 |
-60.7 |
8.19 |
-8.82 |
-0.44 |
0 |
|
|
130705 |
51093627 |
1 |
ON6C18H18 |
AB6C18D18 |
79.42 |
10.39 |
-8.49 |
-1.63 |
0 |
|
|
130706 |
51093628 |
1 |
O3N4C18H22 |
A3B4C18D22 |
-104.45 |
3.91 |
-8.68 |
-0.29 |
0 |