List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
326874 |
126688468 |
1 |
N4O6H22C23 |
A4B6C22D23 |
-159.36 |
6.65 |
-8.84 |
-1.63 |
0 |
|
|
326875 |
126688482 |
1 |
O4N5H19C21 |
A4B5C19D21 |
-49.96 |
10.23 |
-8.57 |
-1.21 |
0 |
|
|
326876 |
126688491 |
1 |
NaSF2O3C4H7 |
ABC2D3E4F7 |
-285.42 |
6.48 |
-10.16 |
0.37 |
0 |
|
|
326877 |
126688501 |
1 |
SF3N4O5C24H25 |
AB3C4D5E24F25 |
-286.13 |
4.1 |
-8.66 |
-1.24 |
0 |
|
|
326878 |
126688510 |
1 |
F2N4O5C22H22 |
A2B4C5D22E22 |
-233.39 |
4.03 |
-8.8 |
-1.09 |
0 |
|
|
326879 |
126688529 |
1 |
ClSO4N7C17H22 |
ABC4D7E17F22 |
-79.65 |
3.7 |
-8.3 |
-0.26 |
0 |
|
|
326880 |
126688538 |
1 |
ClSO4N7C15H20 |
ABC4D7E15F20 |
-85.39 |
7.52 |
-8.48 |
-0.47 |
0 |
|
|
326881 |
126688540 |
1 |
ClSO4N8C18H25 |
ABC4D8E18F25 |
-79.03 |
3.18 |
-8.4 |
-0.32 |
0 |
|
|
326882 |
126688542 |
1 |
ClSO5N7C23H28 |
ABC5D7E23F28 |
-100.96 |
6.29 |
-8.47 |
-0.38 |
0 |
|
|
326883 |
126688550 |
1 |
SF2N4O4C23H24 |
AB2C4D4E23F24 |
-173.01 |
4.03 |
-8.6 |
-1.03 |
0 |
|
|
326884 |
126688556 |
1 |
FNaSO3C4H8 |
ABCD3E4F8 |
-234.51 |
8.83 |
-10.13 |
0.65 |
0 |
|
|
326885 |
126688560 |
1 |
F3O3N5C22H22 |
A3B3C5D22E22 |
-205.09 |
8.69 |
-8.67 |
-1.32 |
0 |
|
|
326886 |
126688561 |
1 |
F3N4O4H21C23 |
A3B4C4D21E23 |
-228.2 |
5.67 |
-8.84 |
-1.25 |
0 |
|
|
326887 |
126688563 |
4 |
NC18H37 |
AB18C37 |
-286.02 |
1.69 |
-8.06 |
2.44 |
0 |
|
|
326888 |
126688564 |
1 |
ClSO4N8C19H27 |
ABC4D8E19F27 |
-87.5 |
3.56 |
-8.44 |
-0.34 |
0 |
|
|
326889 |
126688565 |
1 |
SF3O3N4H21C22 |
AB3C3D4E21F22 |
-207.82 |
8.93 |
-9.02 |
-1.28 |
0 |
|
|
326890 |
126688572 |
1 |
O4N5C23H23 |
A4B5C23D23 |
-58.93 |
6.81 |
-8.76 |
-1.26 |
0 |
|
|
326891 |
126688576 |
1 |
N12O21C64H88 |
A12B21C64D88 |
-886.32 |
11.61 |
-9.46 |
-0.33 |
0 |
|
|
326892 |
126688580 |
1 |
F2O4N5C26H27 |
A2B4C5D26E27 |
-193.06 |
5.0 |
-8.71 |
-0.96 |
0 |
|
|
326893 |
126688588 |
1 |
F4N4O5H22C23 |
A4B4C5D22E23 |
-331.09 |
4.91 |
-9.06 |
-1.63 |
0 |
|
|
326894 |
126688590 |
1 |
FNO2C12H14 |
ABC2D12E14 |
-115.11 |
3.94 |
-9.0 |
-0.19 |
0 |
|
|
326895 |
126688593 |
1 |
ClNO4C9H16 |
ABC4D9E16 |
-214.16 |
7.78 |
-10.31 |
-0.07 |
0 |
|
|
326896 |
126688594 |
1 |
F3N4O4C24H25 |
A3B4C4D24E25 |
-262.77 |
6.37 |
-8.66 |
-1.26 |
0 |
|
|
326897 |
126688598 |
1 |
F2N4O5C23H24 |
A2B4C5D23E24 |
-241.36 |
3.66 |
-9.1 |
-0.87 |
0 |
|
|
326898 |
126688601 |
1 |
F2N4O5C23H24 |
A2B4C5D23E24 |
-239.57 |
4.01 |
-8.76 |
-1.15 |
0 |
|
|
326899 |
126688602 |
1 |
F3N5O6C29H32 |
A3B5C6D29E32 |
-367.54 |
2.43 |
-8.78 |
-1.15 |
0 |
|
|
326900 |
126688603 |
1 |
O4N5C25H25 |
A4B5C25D25 |
-64.14 |
10.39 |
-8.97 |
-1.09 |
0 |
|
|
326901 |
126688604 |
1 |
F2N4O4C23H24 |
A2B4C4D23E24 |
-200.82 |
3.96 |
-8.82 |
-1.2 |
0 |
|
|
326902 |
126688606 |
1 |
N3O4C16H23 |
A3B4C16D23 |
-169.46 |
4.62 |
-8.06 |
0.22 |
0 |
|
|
326903 |
126688607 |
1 |
N3O4C16H23 |
A3B4C16D23 |
-168.94 |
2.68 |
-8.13 |
0.07 |
0 |
|
|
326904 |
126688610 |
1 |
SF3N4O4H23C24 |
AB3C4D4E23F24 |
-258.13 |
6.76 |
-9.01 |
-1.29 |
0 |
|
|
326905 |
126688611 |
1 |
N15O26C64H109 |
A15B26C64D109 |
-1206.34 |
16.16 |
-8.85 |
-0.66 |
0 |
|
|
326906 |
126688613 |
1 |
F2O3N5C23H23 |
A2B3C5D23E23 |
-126.15 |
5.14 |
-8.63 |
-0.99 |
0 |
|
|
326907 |
126688620 |
1 |
SF2N4O5C23H24 |
AB2C4D5E23F24 |
-236.97 |
6.21 |
-8.7 |
-0.57 |
0 |
|
|
326908 |
126688627 |
1 |
ClSO4N5H16C18 |
ABC4D5E16F18 |
-24.25 |
7.17 |
-9.33 |
-1.35 |
0 |
|
|
326909 |
126688631 |
1 |
NOC12H15 |
ABC12D15 |
6.22 |
3.27 |
-10.11 |
-0.16 |
0 |
|
|
326910 |
126688637 |
1 |
ClN4O4C21H21 |
AB4C4D21E21 |
-96.7 |
4.34 |
-8.71 |
-1.04 |
0 |
|
|
326911 |
126688642 |
1 |
SN4O6C24H26 |
AB4C6D24E26 |
-155.8 |
5.7 |
-8.48 |
-1.08 |
0 |
|
|
326912 |
126688644 |
1 |
F3N4O4C25H25 |
A3B4C4D25E25 |
-266.06 |
10.01 |
-9.02 |
-1.03 |
0 |
|
|
326913 |
126688653 |
1 |
ClO4N10C23H31 |
AB4C10D23E31 |
-46.9 |
4.49 |
-8.57 |
-0.62 |
0 |
|
|
326914 |
126688656 |
1 |
NO5H13C14 |
AB5C13D14 |
-168.11 |
4.35 |
-9.96 |
-1.59 |
0 |
|
|
326915 |
126688657 |
1 |
ClFSO2C5H8 |
ABCD2E5F8 |
-141.12 |
4.39 |
-11.77 |
-1.21 |
0 |
|
|
326916 |
126688659 |
1 |
Cl2N3O3C10H11 |
A2B3C3D10E11 |
-95.95 |
3.43 |
-9.43 |
-0.95 |
0 |
|
|
326917 |
126688667 |
1 |
ClO4N7C17H20 |
AB4C7D17E20 |
-82.36 |
5.63 |
-8.52 |
-0.48 |
0 |
|
|
326918 |
126688673 |
1 |
ClO4N7C15H18 |
AB4C7D15E18 |
-89.03 |
6.82 |
-8.59 |
-0.59 |
0 |
|
|
326919 |
126688676 |
1 |
ClO4N7C17H20 |
AB4C7D17E20 |
-78.29 |
1.46 |
-8.41 |
-0.35 |
0 |
|
|
326920 |
126688682 |
1 |
SO2H12C14 |
AB2C12D14 |
-39.9 |
6.55 |
-9.53 |
-0.46 |
0 |
|
|
326921 |
126688684 |
1 |
N2S2O3C5F5H9 |
A2B2C3D5E5F9 |
-383.19 |
5.67 |
-9.56 |
-1.01 |
0 |
|
|
326922 |
126688685 |
1 |
SF2N2C4H8 |
AB2C2D4E8 |
-101.21 |
3.26 |
-9.5 |
-0.43 |
0 |
|
|
326923 |
126688688 |
1 |
ClO2N10C19H19 |
AB2C10D19E19 |
88.51 |
7.46 |
-8.54 |
-1.13 |
0 |
|
|
326924 |
126688689 |
1 |
ClO3N6C14H17 |
AB3C6D14E17 |
-47.54 |
4.92 |
-8.5 |
-0.49 |
0 |
|
|
326925 |
126688690 |
1 |
ClSO5N7C19H26 |
ABC5D7E19F26 |
-134.18 |
5.99 |
-8.38 |
-0.4 |
0 |
|
|
326926 |
126688699 |
1 |
N2S2O3F4C6H12 |
A2B2C3D4E6F12 |
-338.88 |
5.15 |
-9.49 |
-0.94 |
0 |
|
|
326927 |
126688702 |
1 |
NSC4O4H9 |
ABC4D4E9 |
-164.83 |
2.61 |
-9.93 |
-0.6 |
0 |
|
|
326928 |
126688704 |
1 |
ClSO4N7C18H26 |
ABC4D7E18F26 |
-95.64 |
4.72 |
-8.32 |
-0.33 |
0 |
|
|
326929 |
126688706 |
1 |
ClSO4N7C19H28 |
ABC4D7E19F28 |
-103.68 |
0.68 |
-8.42 |
-0.35 |
0 |
|
|
326930 |
126688710 |
1 |
ClSO4N7C21H24 |
ABC4D7E21F24 |
-57.66 |
7.21 |
-8.48 |
-0.4 |
0 |
|
|
326931 |
126688711 |
1 |
SO3C5F6H6 |
AB3C5D6E6 |
-446.06 |
1.89 |
-12.12 |
-1.67 |
0 |
|
|
326932 |
126688716 |
1 |
ON2C18H38 |
AB2C18D38 |
-115.08 |
5.23 |
-9.08 |
1.58 |
0 |
|
|
326933 |
126688717 |
1 |
ON2C18H38 |
AB2C18D38 |
-116.03 |
2.97 |
-8.69 |
1.16 |
0 |
|
|
326934 |
126688718 |
1 |
N4O7C35H46 |
A4B7C35D46 |
-304.48 |
5.91 |
-8.85 |
-0.45 |
0 |
|
|
326935 |
126688721 |
1 |
SCl2F3N3O5H10C11 |
AB2C3D3E5F10G11 |
-318.32 |
3.32 |
-9.52 |
-1.71 |
0 |
|
|
326936 |
126688728 |
2 |
N3O4C28H35 |
A3B4C28D35 |
-199.28 |
1.77 |
-8.04 |
-0.76 |
0 |
|
|
326937 |
126688733 |
1 |
SO6C13H16 |
AB6C13D16 |
-239.03 |
6.7 |
-9.64 |
-0.7 |
0 |
|
|
326938 |
126688734 |
1 |
S2N8O8C43H60 |
A2B8C8D43E60 |
-354.57 |
5.69 |
-8.14 |
-0.97 |
0 |
|
|
326939 |
126688735 |
1 |
ClSO4N7C19H28 |
ABC4D7E19F28 |
-107.45 |
5.2 |
-8.4 |
-0.45 |
0 |
|
|
326940 |
126688736 |
1 |
S2N8O8C43H60 |
A2B8C8D43E60 |
-360.57 |
3.99 |
-8.69 |
-1.34 |
0 |
|
|
326941 |
126688737 |
1 |
O2F3N5H20C27 |
A2B3C5D20E27 |
-67.0 |
4.96 |
-9.56 |
-1.51 |
0 |
|
|
326942 |
126688738 |
1 |
ClSO5N7C19H26 |
ABC5D7E19F26 |
-129.82 |
7.89 |
-8.48 |
-0.43 |
0 |
|
|
326943 |
126688739 |
2 |
N3O6C30H43 |
A3B6C30D43 |
-487.05 |
11.4 |
-7.93 |
-0.67 |
0 |
|
|
326944 |
126688743 |
1 |
O2F4N5H31C32 |
A2B4C5D31E32 |
-157.74 |
8.61 |
-9.65 |
-1.03 |
0 |
|
|
326945 |
126688744 |
1 |
ClSF3O4N7C16H19 |
ABC3D4E7F16G19 |
-237.95 |
5.27 |
-8.58 |
-0.55 |
0 |
|
|
326946 |
126688745 |
1 |
NO3C13H17 |
AB3C13D17 |
-104.12 |
2.11 |
-9.37 |
0.29 |
0 |
|
|
326947 |
126688748 |
2 |
NO5C27H37 |
AB5C27D37 |
-400.28 |
3.09 |
-8.02 |
-0.6 |
0 |
|
|
326948 |
126688750 |
1 |
ClSO4N7C17H24 |
ABC4D7E17F24 |
-93.49 |
4.8 |
-8.4 |
-0.45 |
0 |
|
|
326949 |
126688753 |
2 |
NO5C29H41 |
AB5C29D41 |
-429.33 |
1.7 |
-8.52 |
-0.43 |
0 |
|
|
326950 |
126688754 |
1 |
ClSO4N8C19H25 |
ABC4D8E19F25 |
-67.45 |
4.34 |
-8.47 |
-0.48 |
0 |
|
|
326951 |
126688755 |
2 |
NaN2O6C27H35 |
AB2C6D27E35 |
-540.93 |
17.81 |
-8.64 |
-1.2 |
0 |
|
|
326952 |
126688756 |
2 |
N2O6C27H36 |
A2B6C27D36 |
-465.15 |
13.77 |
-8.42 |
-0.66 |
0 |
|
|
326953 |
126688757 |
2 |
ClNO3C24H34 |
ABC3D24E34 |
-264.48 |
3.87 |
-8.23 |
-0.41 |
0 |
|
|
326954 |
126688758 |
2 |
N2O6C45H60 |
A2B6C45D60 |
-456.85 |
10.29 |
-8.24 |
-0.39 |
0 |
|
|
326955 |
126688760 |
2 |
N3O4C26H31 |
A3B4C26D31 |
-173.24 |
5.94 |
-8.31 |
-0.9 |
0 |
|
|
326956 |
126688761 |
1 |
N4O12C71H94 |
A4B12C71D94 |
-464.46 |
11.33 |
-8.38 |
-0.68 |
0 |
|
|
326957 |
126688762 |
2 |
ClNO3C23H32 |
ABC3D23E32 |
-258.91 |
4.45 |
-8.03 |
-0.89 |
0 |
|
|
326958 |
126688763 |
2 |
NO3C23H31 |
AB3C23D31 |
-183.79 |
7.37 |
-7.99 |
-0.75 |
0 |
|
|
326959 |
126688764 |
4 |
NO3C16H19 |
AB3C16D19 |
-391.36 |
11.8 |
-8.05 |
-0.72 |
0 |
|
|
326960 |
126688766 |
2 |
SN2O7C26H36 |
AB2C7D26E36 |
-532.8 |
3.06 |
-8.11 |
-0.73 |
0 |
|
|
326961 |
126688767 |
2 |
SN2O7C27H38 |
AB2C7D27E38 |
-543.78 |
10.42 |
-8.09 |
-0.81 |
0 |
|
|
326962 |
126688768 |
2 |
SN2O7C25H34 |
AB2C7D25E34 |
-518.46 |
4.92 |
-8.1 |
-0.64 |
0 |
|
|
326963 |
126688769 |
2 |
N3O6C31H45 |
A3B6C31D45 |
-495.4 |
8.74 |
-7.96 |
-0.75 |
0 |
|
|
326964 |
126688770 |
2 |
N3O4C27H33 |
A3B4C27D33 |
-186.87 |
3.41 |
-8.06 |
-0.6 |
0 |
|
|
326965 |
126688771 |
2 |
NO5C28H39 |
AB5C28D39 |
-420.94 |
4.49 |
-8.41 |
-0.52 |
0 |
|
|
326966 |
126688775 |
1 |
SN4O7C28H40 |
AB4C7D28E40 |
-319.95 |
2.6 |
-9.12 |
-0.39 |
0 |
|
|
326967 |
126688777 |
1 |
S2O9C48H60 |
A2B9C48D60 |
-305.62 |
5.68 |
-8.09 |
-0.8 |
0 |
|
|
326968 |
126688778 |
1 |
ClFSO4N7C20H21 |
ABCD4E7F20G21 |
-97.31 |
3.52 |
-8.46 |
-0.91 |
0 |
|
|
326969 |
126688779 |
1 |
N4O7C35H46 |
A4B7C35D46 |
-305.26 |
3.22 |
-8.84 |
-0.44 |
0 |
|
|
326970 |
126688780 |
2 |
SO4C24H30 |
AB4C24D30 |
-250.52 |
2.21 |
-8.0 |
-1.56 |
0 |
|
|
326971 |
126688781 |
2 |
N2O3C13H17 |
A2B3C13D17 |
-247.33 |
3.48 |
-8.88 |
-0.45 |
0 |
|
|
326972 |
126688782 |
2 |
N2O2H6C7 |
A2B2C6D7 |
-48.42 |
5.72 |
-9.88 |
-1.66 |
0 |
|
|
326973 |
126688783 |
2 |
N2O3C13H17 |
A2B3C13D17 |
-241.49 |
7.71 |
-8.95 |
-0.54 |
0 |