List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
72952 |
48416720 |
2 |
N2O2C10H13 |
A2B2C10D13 |
-151.47 |
2.24 |
-8.66 |
0.07 |
0 |
|
|
72953 |
48416721 |
1 |
Cl2O2N3C17H21 |
A2B2C3D17E21 |
-95.97 |
1.49 |
-9.3 |
-0.52 |
0 |
|
|
72954 |
48416722 |
2 |
ON3C9H13 |
AB3C9D13 |
-55.49 |
6.4 |
-8.91 |
-0.19 |
0 |
|
|
72955 |
48416723 |
1 |
O2N4C21H26 |
A2B4C21D26 |
-65.91 |
4.68 |
-8.35 |
-0.35 |
0 |
|
|
72956 |
48416725 |
2 |
ON3C9H13 |
AB3C9D13 |
-48.97 |
6.95 |
-8.73 |
-0.3 |
0 |
|
|
72957 |
48416726 |
1 |
O3N4C22H26 |
A3B4C22D26 |
-97.55 |
3.9 |
-9.1 |
-0.69 |
0 |
|
|
72958 |
48416727 |
1 |
N3O3C18H23 |
A3B3C18D23 |
-87.35 |
6.49 |
-9.19 |
-0.2 |
0 |
|
|
72959 |
48416730 |
1 |
ClO2N5C21H26 |
AB2C5D21E26 |
-44.54 |
4.04 |
-9.23 |
-0.86 |
0 |
|
|
72960 |
48416731 |
1 |
ClN3O3C17H22 |
AB3C3D17E22 |
-115.8 |
4.74 |
-9.07 |
-0.21 |
0 |
|
|
72961 |
48416732 |
1 |
F2N3O3C16H19 |
A2B3C3D16E19 |
-193.92 |
2.4 |
-9.36 |
-0.6 |
0 |
|
|
72962 |
48416733 |
2 |
ON2C10H13 |
AB2C10D13 |
-71.82 |
7.02 |
-8.37 |
0.03 |
0 |
|
|
72963 |
48416734 |
1 |
Cl2N3O3C16H19 |
A2B3C3D16E19 |
-116.19 |
2.67 |
-9.32 |
-0.68 |
0 |
|
|
72964 |
48416737 |
1 |
O3N4C16H26 |
A3B4C16D26 |
-150.87 |
6.01 |
-9.34 |
0.51 |
0 |
|
|
72965 |
48416739 |
1 |
O3N5C21H27 |
A3B5C21D27 |
-110.46 |
3.98 |
-9.04 |
-0.56 |
0 |
|
|
72966 |
48416740 |
1 |
O3N5C19H25 |
A3B5C19D25 |
-101.41 |
7.99 |
-9.56 |
-0.18 |
0 |
|
|
72967 |
48416743 |
1 |
O3N6C20H28 |
A3B6C20D28 |
-80.62 |
6.66 |
-8.77 |
-0.92 |
0 |
|
|
72968 |
48416744 |
1 |
N3O3C18H25 |
A3B3C18D25 |
-113.64 |
7.26 |
-8.91 |
-0.03 |
0 |
|
|
72969 |
48416745 |
1 |
N3O3C16H27 |
A3B3C16D27 |
-152.28 |
5.31 |
-9.21 |
0.71 |
0 |
|
|
72970 |
48416746 |
1 |
F2O2N5C21H23 |
A2B2C5D21E23 |
-105.41 |
1.29 |
-9.21 |
-1.11 |
0 |
|
|
72971 |
48416748 |
2 |
ON2C12H13 |
AB2C12D13 |
-18.49 |
7.44 |
-8.57 |
-0.2 |
0 |
|
|
72972 |
48416749 |
1 |
O2F3N3C16H24 |
A2B3C3D16E24 |
-278.16 |
9.26 |
-9.45 |
0.62 |
0 |
|
|
72973 |
48416750 |
1 |
O2N5C19H31 |
A2B5C19D31 |
-83.08 |
9.2 |
-8.93 |
0.29 |
0 |
|
|
72974 |
48416751 |
1 |
F2O2N5C20H23 |
A2B2C5D20E23 |
-126.31 |
4.52 |
-9.17 |
-0.84 |
0 |
|
|
72975 |
48416752 |
1 |
O2N3C20H29 |
A2B3C20D29 |
-94.64 |
6.31 |
-9.16 |
0.35 |
0 |
|
|
72976 |
48416754 |
1 |
BrN3O3C18H24 |
AB3C3D18E24 |
-112.01 |
3.99 |
-8.95 |
-0.28 |
0 |
|
|
72977 |
48416755 |
1 |
N3O3C21H31 |
A3B3C21D31 |
-136.53 |
2.6 |
-8.79 |
0.28 |
0 |
|
|
72978 |
48416756 |
1 |
N3O3C15H25 |
A3B3C15D25 |
-148.04 |
3.12 |
-9.22 |
0.64 |
0 |
|
|
72979 |
48416757 |
1 |
FO3N4C18H23 |
AB3C4D18E23 |
-162.83 |
3.78 |
-9.49 |
-0.16 |
0 |
|
|
72980 |
48416758 |
1 |
N3O3C21H31 |
A3B3C21D31 |
-133.42 |
4.55 |
-8.9 |
0.33 |
0 |
|
|
72981 |
48416759 |
1 |
O3N4C17H20 |
A3B4C17D20 |
-67.98 |
2.12 |
-9.55 |
-0.93 |
0 |
|
|
72982 |
48416760 |
1 |
O3N4C23H32 |
A3B4C23D32 |
-134.88 |
3.16 |
-9.34 |
0.02 |
0 |
|
|
72983 |
48416761 |
1 |
O3N4C20H26 |
A3B4C20D26 |
-114.92 |
7.48 |
-8.65 |
-0.11 |
0 |
|
|
72984 |
48416762 |
1 |
O4N5C19H23 |
A4B5C19D23 |
-155.7 |
4.64 |
-9.54 |
-1.29 |
0 |
|
|
72985 |
48416763 |
1 |
ON4C14H18 |
AB4C14D18 |
31.53 |
5.43 |
-9.2 |
-0.62 |
0 |
|
|
72986 |
48416765 |
1 |
SO3N5H13C14 |
AB3C5D13E14 |
-14.47 |
8.22 |
-9.14 |
-0.79 |
0 |
|
|
72987 |
48416766 |
2 |
ON2C8H9 |
AB2C8D9 |
6.07 |
3.59 |
-9.13 |
-1.03 |
0 |
|
|
72988 |
48416767 |
1 |
FO3N6H13C16 |
AB3C6D13E16 |
-65.14 |
6.68 |
-9.48 |
-1.0 |
0 |
|
|
72989 |
48416768 |
1 |
O2F3N5H8C12 |
A2B3C5D8E12 |
-128.08 |
5.52 |
-9.49 |
-1.56 |
0 |
|
|
72990 |
48416769 |
1 |
SO3N5C11H15 |
AB3C5D11E15 |
-61.58 |
6.0 |
-9.43 |
-0.9 |
0 |
|
|
72991 |
48416771 |
2 |
ON3H7C8 |
AB3C7D8 |
25.68 |
5.11 |
-9.26 |
-1.0 |
0 |
|
|
72992 |
48416772 |
2 |
ON3H8C10 |
AB3C8D10 |
73.43 |
7.84 |
-9.12 |
-1.06 |
0 |
|
|
72993 |
48416773 |
1 |
FON5H16C21 |
ABC5D16E21 |
41.5 |
8.17 |
-8.75 |
-0.82 |
0 |
|
|
72994 |
48416774 |
2 |
ON3H8C10 |
AB3C8D10 |
73.41 |
10.19 |
-9.22 |
-1.07 |
0 |
|
|
72995 |
48416775 |
1 |
OSF2N4H8C12 |
ABC2D4E8F12 |
-34.98 |
2.6 |
-9.54 |
-1.68 |
0 |
|
|
72996 |
48416776 |
1 |
O2N5H13C19 |
A2B5C13D19 |
57.9 |
1.67 |
-8.87 |
-1.24 |
0 |
|
|
72997 |
48416777 |
1 |
OSN7H11C17 |
ABC7D11E17 |
161.62 |
8.02 |
-9.31 |
-1.22 |
0 |
|
|
72998 |
48416779 |
1 |
ON7H15C16 |
AB7C15D16 |
117.76 |
3.74 |
-9.2 |
-1.35 |
0 |
|
|
72999 |
48416780 |
1 |
ON7H13C14 |
AB7C13D14 |
94.63 |
3.76 |
-9.19 |
-1.34 |
0 |
|
|
73000 |
48416781 |
1 |
FOSN7H10C17 |
ABCD7E10F17 |
113.96 |
6.57 |
-9.37 |
-1.38 |
0 |
|
|
73001 |
48416783 |
1 |
SO3N5H11C12 |
AB3C5D11E12 |
-21.95 |
6.69 |
-9.22 |
-1.15 |
0 |
|
|
73002 |
48416785 |
1 |
O2N6C15H22 |
A2B6C15D22 |
-45.12 |
7.55 |
-9.08 |
-0.48 |
0 |
|
|
73003 |
48416789 |
1 |
ON5H9C11 |
AB5C9D11 |
64.11 |
6.14 |
-9.4 |
-1.39 |
0 |
|
|
73004 |
48416790 |
2 |
ON3C9H9 |
AB3C9D9 |
62.36 |
4.99 |
-9.42 |
-1.15 |
0 |
|
|
73005 |
48416791 |
1 |
SO2N6H14C15 |
AB2C6D14E15 |
18.51 |
3.74 |
-8.95 |
-1.21 |
0 |
|
|
73006 |
48416792 |
1 |
ClSO3N6C15H15 |
ABC3D6E15F15 |
-13.02 |
4.37 |
-9.56 |
-1.43 |
0 |
|
|
73007 |
48416793 |
1 |
O2F3N6H11C12 |
A2B3C6D11E12 |
-139.41 |
6.16 |
-9.54 |
-1.1 |
0 |
|
|
73008 |
48416794 |
1 |
OSF3N5H10C16 |
ABC3D5E10F16 |
-77.48 |
4.34 |
-9.23 |
-1.84 |
0 |
|
|
73009 |
48416795 |
1 |
OSN6H14C19 |
ABC6D14E19 |
120.26 |
5.78 |
-8.86 |
-1.15 |
0 |
|
|
73010 |
48416797 |
1 |
O2N4H16C19 |
A2B4C16D19 |
43.49 |
6.14 |
-9.28 |
-1.06 |
0 |
|
|
73011 |
48416800 |
1 |
O2N5C16H17 |
A2B5C16D17 |
-0.54 |
3.48 |
-9.2 |
-1.2 |
0 |
|
|
73012 |
48416801 |
1 |
S2O3N5C15H17 |
A2B3C5D15E17 |
-26.22 |
7.04 |
-9.38 |
-0.98 |
0 |
|
|
73013 |
48416802 |
1 |
ON4C14H20 |
AB4C14D20 |
-3.52 |
4.97 |
-9.36 |
-0.8 |
0 |
|
|
73014 |
48416803 |
1 |
ON7H17C19 |
AB7C17D19 |
107.25 |
3.31 |
-8.44 |
-1.18 |
0 |
|
|
73015 |
48416806 |
1 |
OF3N9H14C16 |
AB3C9D14E16 |
-24.64 |
9.09 |
-9.68 |
-1.46 |
0 |
|
|
73016 |
48416807 |
1 |
ON5H15C17 |
AB5C15D17 |
77.31 |
3.84 |
-8.68 |
-1.43 |
0 |
|
|
73017 |
48416809 |
1 |
ON7H13C14 |
AB7C13D14 |
96.83 |
5.12 |
-9.4 |
-1.42 |
0 |
|
|
73018 |
48416813 |
1 |
O2N4H10C11 |
A2B4C10D11 |
17.75 |
4.38 |
-9.43 |
-0.89 |
0 |
|
|
73019 |
48416815 |
1 |
SO4N5C14H15 |
AB4C5D14E15 |
-49.73 |
4.55 |
-9.56 |
-1.65 |
0 |
|
|
73020 |
48416816 |
2 |
ON2C7H7 |
AB2C7D7 |
6.27 |
5.32 |
-8.88 |
-0.87 |
0 |
|
|
73021 |
48416819 |
2 |
ON3H6C9 |
AB3C6D9 |
114.6 |
3.28 |
-9.71 |
-1.83 |
0 |
|
|
73022 |
48416820 |
1 |
O2N6H10C13 |
A2B6C10D13 |
79.12 |
3.45 |
-9.72 |
-1.77 |
0 |
|
|
73023 |
48416821 |
1 |
O3N6H10C16 |
A3B6C10D16 |
84.28 |
3.15 |
-9.58 |
-1.95 |
0 |
|
|
73024 |
48416825 |
1 |
SO2N5H11C12 |
AB2C5D11E12 |
20.09 |
7.06 |
-9.42 |
-1.03 |
0 |
|
|
73025 |
48416826 |
1 |
O3N5H9C13 |
A3B5C9D13 |
-8.8 |
2.82 |
-9.42 |
-1.57 |
0 |
|
|
73026 |
48416827 |
1 |
ClO4N5H12C14 |
AB4C5D12E14 |
-58.22 |
3.52 |
-9.44 |
-1.58 |
0 |
|
|
73027 |
48416830 |
1 |
FON6H15C18 |
ABC6D15E18 |
52.42 |
7.37 |
-9.21 |
-0.98 |
0 |
|
|
73028 |
48416831 |
1 |
O2N5C15H15 |
A2B5C15D15 |
7.35 |
7.72 |
-9.39 |
-0.92 |
0 |
|
|
73029 |
48416838 |
1 |
ON7H15C19 |
AB7C15D19 |
129.96 |
3.89 |
-9.21 |
-1.42 |
0 |
|
|
73030 |
48416839 |
1 |
ClO2N5H12C16 |
AB2C5D12E16 |
38.68 |
4.73 |
-9.3 |
-1.08 |
0 |
|
|
73031 |
48416846 |
1 |
F2O2N5H11C14 |
A2B2C5D11E14 |
-80.11 |
3.04 |
-9.49 |
-1.03 |
0 |
|
|
73032 |
48416847 |
1 |
O3N4H14C18 |
A3B4C14D18 |
24.78 |
3.92 |
-8.87 |
-1.28 |
0 |
|
|
73033 |
48416849 |
1 |
SO2N6H12C16 |
AB2C6D12E16 |
61.46 |
8.88 |
-9.32 |
-0.87 |
0 |
|
|
73034 |
48416856 |
1 |
SO3N5H17C19 |
AB3C5D17E19 |
-7.61 |
9.65 |
-9.2 |
-1.01 |
0 |
|
|
73035 |
48416857 |
1 |
O2N4H16C17 |
A2B4C16D17 |
6.15 |
8.68 |
-9.32 |
-0.76 |
0 |
|
|
73036 |
48416860 |
1 |
SO3N5H11C12 |
AB3C5D11E12 |
-15.1 |
6.9 |
-9.39 |
-1.34 |
0 |
|
|
73037 |
48416861 |
1 |
S2O3N5H13C16 |
A2B3C5D13E16 |
21.26 |
5.15 |
-9.19 |
-1.52 |
0 |
|
|
73038 |
48416862 |
1 |
SO3N5H13C14 |
AB3C5D13E14 |
10.41 |
2.42 |
-9.58 |
-1.67 |
0 |
|
|
73039 |
48416863 |
1 |
SO2N5C11H11 |
AB2C5D11E11 |
-2.57 |
5.43 |
-9.07 |
-1.08 |
0 |
|
|
73040 |
48416867 |
2 |
ON2C8H8 |
AB2C8D8 |
-0.31 |
7.87 |
-9.34 |
-0.78 |
0 |
|
|
73041 |
48416869 |
1 |
SO3N5H11C14 |
AB3C5D11E14 |
49.42 |
6.36 |
-9.52 |
-1.55 |
0 |
|
|
73042 |
48416870 |
1 |
OS2H6N6C12 |
AB2C6D6E12 |
131.35 |
5.37 |
-9.02 |
-1.82 |
0 |
|
|
73043 |
48416871 |
1 |
O2N5H7C10 |
A2B5C7D10 |
21.55 |
7.86 |
-9.27 |
-1.31 |
0 |
|
|
73044 |
48416872 |
1 |
SO3N5C18H19 |
AB3C5D18E19 |
-9.46 |
6.08 |
-9.41 |
-0.9 |
0 |
|
|
73045 |
48416873 |
2 |
ON3C8H8 |
AB3C8D8 |
13.0 |
3.57 |
-8.82 |
-0.94 |
0 |
|
|
73046 |
48416874 |
1 |
FO2N4H13C14 |
AB2C4D13E14 |
-33.83 |
4.57 |
-9.06 |
-0.89 |
0 |
|
|
73047 |
48416875 |
1 |
ClON4H11C13 |
ABC4D11E13 |
39.44 |
3.53 |
-9.48 |
-0.96 |
0 |
|
|
73048 |
48416878 |
2 |
ON3H7C8 |
AB3C7D8 |
27.05 |
5.8 |
-9.3 |
-0.98 |
0 |
|
|
73049 |
48416880 |
1 |
SO2N8H14C18 |
AB2C8D14E18 |
104.12 |
4.77 |
-9.3 |
-1.46 |
0 |
|
|
73050 |
48416881 |
1 |
SO2F3N5H10C15 |
AB2C3D5E10F15 |
-144.07 |
3.94 |
-9.45 |
-1.47 |
0 |
|
|
73051 |
48416883 |
1 |
ON4C15H16 |
AB4C15D16 |
30.71 |
4.25 |
-9.13 |
-0.9 |
0 |