List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
420723 |
135114707 |
1 |
SN3O6C14H21 |
AB3C6D14E21 |
-205.49 |
7.99 |
-8.66 |
-0.62 |
0 |
|
|
420724 |
135114708 |
1 |
ON5C20H25 |
AB5C20D25 |
13.22 |
5.16 |
-8.72 |
-0.46 |
0 |
|
|
420725 |
135114709 |
1 |
ClN2O3C21H31 |
AB2C3D21E31 |
-127.94 |
2.8 |
-8.91 |
-0.35 |
0 |
|
|
420727 |
135114711 |
1 |
FN2O2C18H21 |
AB2C2D18E21 |
-101.96 |
7.65 |
-9.49 |
-1.06 |
0 |
|
|
420728 |
135114726 |
1 |
ON2C20H26 |
AB2C20D26 |
-9.51 |
2.27 |
-8.84 |
-0.58 |
0 |
|
|
420729 |
135114729 |
3 |
NOC5H7 |
ABC5D7 |
-94.84 |
3.95 |
-9.4 |
-0.3 |
0 |
|
|
420730 |
135114731 |
1 |
FON2C18H23 |
ABC2D18E23 |
-41.44 |
4.09 |
-8.95 |
-0.39 |
0 |
|
|
420731 |
135114736 |
1 |
FN5C21H22 |
AB5C21D22 |
17.45 |
3.19 |
-8.54 |
-0.58 |
0 |
|
|
420733 |
135114738 |
1 |
N2O2F3C17H19 |
A2B2C3D17E19 |
-234.27 |
5.27 |
-9.75 |
-1.0 |
0 |
|
|
420734 |
135114739 |
1 |
NO5C20H23 |
AB5C20D23 |
-148.45 |
5.44 |
-8.38 |
-0.27 |
0 |
|
|
420735 |
135114740 |
1 |
O3N4C23H36 |
A3B4C23D36 |
-136.23 |
5.24 |
-8.41 |
0.4 |
0 |
|
|
420736 |
135114741 |
1 |
N2O5C20H24 |
A2B5C20D24 |
-134.38 |
6.44 |
-8.87 |
-0.35 |
0 |
|
|
420737 |
135114742 |
1 |
OF3N5C17H20 |
AB3C5D17E20 |
-135.3 |
5.36 |
-9.1 |
-0.6 |
0 |
|
|
420738 |
135114743 |
1 |
O4N7C36H49 |
A4B7C36D49 |
-125.78 |
9.68 |
-9.09 |
-0.27 |
0 |
|
|
420739 |
135114744 |
2 |
NO2C12H14 |
AB2C12D14 |
-154.07 |
0.93 |
-8.48 |
-0.12 |
0 |
|
|
420741 |
135114747 |
1 |
SN4C13H18 |
AB4C13D18 |
42.36 |
3.48 |
-8.5 |
-0.11 |
0 |
|
|
420742 |
135114750 |
1 |
NO2C21H27 |
AB2C21D27 |
-65.6 |
1.37 |
-8.58 |
-0.48 |
0 |
|
|
420743 |
135114751 |
1 |
N8O8C43H60 |
A8B8C43D60 |
-342.18 |
9.52 |
-8.76 |
-0.33 |
0 |
|
|
420744 |
135114752 |
1 |
FN3O3C22H28 |
AB3C3D22E28 |
-87.57 |
5.3 |
-8.86 |
-0.98 |
0 |
|
|
420745 |
135114753 |
1 |
N2O3C17H20 |
A2B3C17D20 |
-101.3 |
7.36 |
-9.62 |
-1.01 |
0 |
|
|
420746 |
135114754 |
1 |
N4O4C19H24 |
A4B4C19D24 |
-115.87 |
5.44 |
-8.85 |
-0.51 |
0 |
|
|
420747 |
135114755 |
1 |
SO2N3C20H21 |
AB2C3D20E21 |
-15.86 |
5.54 |
-8.9 |
-0.66 |
0 |
|
|
420749 |
135114759 |
1 |
NSF2O3C19H19 |
ABC2D3E19F19 |
-165.65 |
4.72 |
-9.1 |
-0.74 |
0 |
|
|
420750 |
135114760 |
1 |
ClFON4C18H18 |
ABCD4E18F18 |
-44.98 |
3.66 |
-9.0 |
-0.84 |
0 |
|
|
420751 |
135114762 |
1 |
OSN4C16H18 |
ABC4D16E18 |
26.27 |
4.37 |
-8.61 |
-0.41 |
0 |
|
|
420752 |
135114763 |
1 |
N3O3C16H21 |
A3B3C16D21 |
-90.66 |
3.56 |
-9.05 |
0.11 |
0 |
|
|
420753 |
135114765 |
2 |
ON3C9H10 |
AB3C9D10 |
19.2 |
2.53 |
-9.32 |
-0.51 |
0 |
|
|
420754 |
135114766 |
1 |
O3N4C24H28 |
A3B4C24D28 |
-59.37 |
4.38 |
-9.0 |
-0.47 |
0 |
|
|
420757 |
135114770 |
1 |
FO2N5C18H20 |
AB2C5D18E20 |
-21.17 |
3.88 |
-9.31 |
-0.69 |
0 |
|
|
420758 |
135114772 |
1 |
ClN3O4C20H26 |
AB3C4D20E26 |
-116.36 |
4.42 |
-9.22 |
-1.04 |
0 |
|
|
420759 |
135114773 |
1 |
NO4C23H25 |
AB4C23D25 |
-145.27 |
5.6 |
-9.54 |
0.02 |
0 |
|
|
420760 |
135114774 |
1 |
O2N5C22H27 |
A2B5C22D27 |
-25.42 |
8.79 |
-9.15 |
-0.87 |
0 |
|
|
420761 |
135114775 |
1 |
NO6C22H23 |
AB6C22D23 |
-176.56 |
7.16 |
-8.98 |
-0.27 |
0 |
|
|
420762 |
135114776 |
2 |
ON2C9H14 |
AB2C9D14 |
-59.47 |
3.42 |
-8.8 |
-0.32 |
0 |
|
|
420763 |
135114778 |
1 |
SN2O3C20H24 |
AB2C3D20E24 |
-104.41 |
4.51 |
-9.05 |
-0.24 |
0 |
|
|
420764 |
135114779 |
1 |
N2O4C17H24 |
A2B4C17D24 |
-173.57 |
2.95 |
-9.74 |
-0.55 |
0 |
|
|
420765 |
135114780 |
1 |
NS2O3C13H19 |
AB2C3D13E19 |
-111.03 |
3.41 |
-9.4 |
-0.94 |
0 |
|
|
420766 |
135114782 |
1 |
OSN4C11H16 |
ABC4D11E16 |
13.02 |
2.55 |
-9.12 |
-0.64 |
0 |
|
|
420767 |
135114783 |
1 |
N5O7C32H43 |
A5B7C32D43 |
-253.98 |
6.12 |
-9.04 |
-1.49 |
0 |
|
|
420769 |
135114785 |
1 |
SF2N3O3C18H27 |
AB2C3D3E18F27 |
-198.12 |
3.91 |
-8.48 |
-0.14 |
0 |
|
|
420770 |
135114786 |
1 |
ClN2O2C19H21 |
AB2C2D19E21 |
-57.85 |
4.45 |
-9.58 |
-0.46 |
0 |
|
|
420771 |
135114788 |
1 |
NO5C19H27 |
AB5C19D27 |
-195.52 |
2.94 |
-8.51 |
-0.08 |
0 |
|
|
420772 |
135114790 |
2 |
NO3C8H11 |
AB3C8D11 |
-244.77 |
6.26 |
-8.88 |
-0.03 |
0 |
|
|
420773 |
135114791 |
1 |
FOSN3C17H20 |
ABCD3E17F20 |
-39.56 |
2.7 |
-8.71 |
-0.54 |
0 |
|
|
420774 |
135114793 |
1 |
SN3O4C13H19 |
AB3C4D13E19 |
-131.37 |
6.46 |
-9.88 |
-0.7 |
0 |
|
|
420775 |
135114796 |
1 |
NSO2C18H27 |
ABC2D18E27 |
-90.26 |
3.86 |
-8.71 |
0.02 |
0 |
|
|
420776 |
135114798 |
1 |
ON3C17H25 |
AB3C17D25 |
-38.46 |
3.67 |
-8.15 |
0.22 |
0 |
|
|
420777 |
135114800 |
2 |
NO2C11H14 |
AB2C11D14 |
-116.92 |
4.81 |
-9.46 |
-0.54 |
0 |
|
|
420778 |
135114801 |
1 |
N2O4C19H34 |
A2B4C19D34 |
-192.12 |
3.28 |
-8.7 |
1.18 |
0 |
|
|
420779 |
135114802 |
1 |
O2N4C21H32 |
A2B4C21D32 |
-55.35 |
5.68 |
-8.72 |
-0.34 |
0 |
|
|
420780 |
135114803 |
1 |
O4N5C16H19 |
A4B5C16D19 |
-57.89 |
2.12 |
-9.92 |
-1.43 |
0 |
|
|
420781 |
135114805 |
1 |
FO6N7C35H38 |
AB6C7D35E38 |
-133.41 |
6.4 |
-9.48 |
-0.56 |
0 |
|
|
420782 |
135114806 |
1 |
ON6C18H24 |
AB6C18D24 |
7.66 |
3.91 |
-8.33 |
-0.68 |
0 |
|
|
420784 |
135114808 |
1 |
O3N5C19H21 |
A3B5C19D21 |
-25.63 |
6.28 |
-8.58 |
-1.28 |
0 |
|
|
420785 |
135114809 |
1 |
NS2O4C19H21 |
AB2C4D19E21 |
-121.52 |
10.32 |
-9.22 |
-0.84 |
0 |
|
|
420788 |
135114812 |
1 |
ClN2O4C18H21 |
AB2C4D18E21 |
-101.29 |
5.79 |
-9.41 |
-0.59 |
0 |
|
|
420789 |
135114813 |
1 |
N3O4C24H31 |
A3B4C24D31 |
-112.25 |
4.82 |
-9.28 |
0.04 |
0 |
|
|
420790 |
135114814 |
1 |
ON5C24H27 |
AB5C24D27 |
43.39 |
1.67 |
-9.34 |
-0.88 |
0 |
|
|
420791 |
135114815 |
1 |
SN2F3O4C15H19 |
AB2C3D4E15F19 |
-307.03 |
7.74 |
-10.01 |
-0.84 |
0 |
|
|
420792 |
135114816 |
1 |
O3N4C16H26 |
A3B4C16D26 |
-103.38 |
1.43 |
-8.98 |
0.01 |
0 |
|
|
420793 |
135114817 |
1 |
N3O3C22H23 |
A3B3C22D23 |
-70.26 |
4.86 |
-8.61 |
-0.3 |
0 |
|
|
420794 |
135114818 |
1 |
SN3O4C18H23 |
AB3C4D18E23 |
-134.89 |
4.89 |
-9.64 |
-1.02 |
0 |
|
|
420795 |
135114820 |
1 |
N3O4C21H25 |
A3B4C21D25 |
-63.24 |
6.56 |
-8.8 |
-0.22 |
0 |
|
|
420796 |
135114821 |
1 |
O3N4C16H22 |
A3B4C16D22 |
-99.06 |
7.73 |
-9.52 |
0.12 |
0 |
|
|
420797 |
135114822 |
1 |
NSO3C17H25 |
ABC3D17E25 |
-114.13 |
1.7 |
-8.98 |
0.02 |
0 |
|
|
420798 |
135114824 |
1 |
NO3F4C18H23 |
AB3C4D18E23 |
-344.74 |
5.27 |
-9.04 |
-0.7 |
0 |
|
|
420799 |
135114825 |
1 |
O5N9C40H51 |
A5B9C40D51 |
-133.78 |
5.63 |
-9.45 |
-1.05 |
0 |
|
|
420800 |
135114828 |
1 |
O2N3C20H25 |
A2B3C20D25 |
-58.79 |
5.54 |
-8.83 |
-0.95 |
0 |
|
|
420801 |
135114829 |
1 |
O2N3C19H25 |
A2B3C19D25 |
-66.11 |
3.17 |
-8.76 |
-0.95 |
0 |
|
|
420802 |
135114858 |
1 |
O3N4C22H24 |
A3B4C22D24 |
-27.27 |
2.73 |
-9.48 |
-0.77 |
0 |
|
|
420803 |
135114859 |
1 |
ClO2N4C17H23 |
AB2C4D17E23 |
-43.35 |
7.87 |
-8.98 |
-0.02 |
0 |
|
|
420804 |
135114860 |
1 |
O2N3C17H25 |
A2B3C17D25 |
-63.03 |
5.89 |
-9.01 |
-0.07 |
0 |
|
|
420806 |
135114862 |
1 |
ON4C17H22 |
AB4C17D22 |
0.81 |
1.77 |
-9.3 |
-0.38 |
0 |
|
|
420807 |
135114863 |
1 |
ClN2O2C17H21 |
AB2C2D17E21 |
-91.43 |
3.83 |
-9.46 |
-0.25 |
0 |
|
|
420808 |
135114864 |
1 |
N2O3C21H32 |
A2B3C21D32 |
-101.79 |
2.03 |
-8.63 |
0.41 |
0 |
|
|
420809 |
135114865 |
1 |
O6N7C35H47 |
A6B7C35D47 |
-140.74 |
6.49 |
-8.83 |
-0.47 |
0 |
|
|
420810 |
135114866 |
1 |
N5O7C38H45 |
A5B7C38D45 |
-244.27 |
5.75 |
-9.22 |
-0.74 |
0 |
|
|
420811 |
135114868 |
1 |
NSO5C17H25 |
ABC5D17E25 |
-224.1 |
4.09 |
-9.88 |
-0.83 |
0 |
|
|
420812 |
135114869 |
1 |
O2N4C17H24 |
A2B4C17D24 |
-31.7 |
3.89 |
-8.77 |
-0.19 |
0 |
|
|
420813 |
135114870 |
2 |
N4C7H8 |
A4B7C8 |
142.88 |
4.95 |
-8.78 |
-0.96 |
0 |
|
|
420814 |
135114871 |
1 |
ON5C20H27 |
AB5C20D27 |
1.32 |
3.36 |
-8.87 |
-0.45 |
0 |
|
|
420815 |
135114872 |
1 |
N3O4C21H27 |
A3B4C21D27 |
-103.36 |
5.68 |
-8.85 |
-0.91 |
0 |
|
|
420816 |
135114877 |
1 |
N4O4C17H30 |
A4B4C17D30 |
-217.13 |
8.82 |
-9.4 |
0.31 |
0 |
|
|
420817 |
135114878 |
1 |
SO3N4H12C14 |
AB3C4D12E14 |
5.3 |
4.8 |
-9.18 |
-1.28 |
0 |
|
|
420818 |
135114881 |
1 |
N6O8C37H48 |
A6B8C37D48 |
-330.11 |
6.3 |
-9.06 |
-0.94 |
0 |
|
|
420820 |
135114885 |
2 |
ON2C12H13 |
AB2C12D13 |
9.56 |
4.94 |
-9.41 |
-0.98 |
0 |
|
|
420821 |
135114888 |
1 |
N4O4C17H20 |
A4B4C17D20 |
-73.17 |
8.25 |
-8.72 |
-0.92 |
0 |
|
|
420822 |
135114890 |
1 |
ClN2O3C21H33 |
AB2C3D21E33 |
-130.39 |
6.04 |
-8.75 |
-0.25 |
0 |
|
|
420823 |
135114891 |
1 |
ClO2N3C16H20 |
AB2C3D16E20 |
-54.1 |
2.14 |
-9.31 |
-0.28 |
0 |
|
|
420824 |
135114892 |
1 |
FN2O3C18H19 |
AB2C3D18E19 |
-116.49 |
6.35 |
-9.25 |
-0.49 |
0 |
|
|
420825 |
135114893 |
1 |
O2N3C23H31 |
A2B3C23D31 |
-66.66 |
2.63 |
-8.35 |
0.01 |
0 |
|
|
420826 |
135114894 |
1 |
SO4N6C19H26 |
AB4C6D19E26 |
-127.55 |
2.53 |
-9.12 |
-0.54 |
0 |
|
|
420827 |
135114895 |
1 |
ON5C15H21 |
AB5C15D21 |
19.85 |
2.83 |
-8.3 |
-0.22 |
0 |
|
|
420828 |
135114896 |
1 |
SN3O4C19H23 |
AB3C4D19E23 |
-124.84 |
3.14 |
-9.79 |
-0.9 |
0 |
|
|
420829 |
135114897 |
1 |
O3N6C19H22 |
A3B6C19D22 |
-0.89 |
4.26 |
-9.27 |
-0.81 |
0 |
|
|
420830 |
135114899 |
1 |
ON6C19H22 |
AB6C19D22 |
81.49 |
9.55 |
-8.14 |
-1.46 |
0 |
|
|
420831 |
135114900 |
1 |
SN2O2C15H24 |
AB2C2D15E24 |
-81.98 |
5.51 |
-9.06 |
-0.2 |
0 |
|
|
420832 |
135114903 |
1 |
N5O5C21H29 |
A5B5C21D29 |
-115.5 |
6.5 |
-9.11 |
-0.48 |
0 |
|
|
420833 |
135114904 |
1 |
ClN2O3C21H29 |
AB2C3D21E29 |
-157.69 |
4.25 |
-8.93 |
0.04 |
0 |
|
|
420834 |
135114905 |
1 |
ClNO2C18H24 |
ABC2D18E24 |
-98.27 |
5.66 |
-9.16 |
-0.34 |
0 |