List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
355885 |
127290737 |
1 |
O2N7C20H27 |
A2B7C20D27 |
-14.82 |
3.95 |
-8.99 |
-0.8 |
0 |
|
|
355886 |
127290738 |
1 |
O3N4C20H26 |
A3B4C20D26 |
-80.67 |
4.85 |
-8.7 |
-0.19 |
0 |
|
|
355887 |
127290739 |
1 |
ON7C18H25 |
AB7C18D25 |
42.6 |
9.84 |
-8.65 |
-0.5 |
0 |
|
|
355888 |
127290740 |
1 |
ON6C13H18 |
AB6C13D18 |
27.32 |
5.78 |
-9.03 |
-0.38 |
0 |
|
|
355889 |
127290741 |
1 |
O2N6C19H22 |
A2B6C19D22 |
-8.7 |
6.31 |
-8.78 |
-0.9 |
0 |
|
|
355890 |
127290742 |
1 |
O3N5C21H27 |
A3B5C21D27 |
-71.38 |
2.09 |
-8.98 |
-0.19 |
0 |
|
|
355891 |
127290743 |
1 |
ON7C19H27 |
AB7C19D27 |
31.15 |
6.44 |
-8.51 |
-0.14 |
0 |
|
|
355892 |
127290744 |
2 |
ON2C10H11 |
AB2C10D11 |
-15.89 |
5.34 |
-8.76 |
-0.77 |
0 |
|
|
355893 |
127290745 |
1 |
O2N5C18H29 |
A2B5C18D29 |
-78.36 |
5.79 |
-8.86 |
0.57 |
0 |
|
|
355894 |
127290746 |
1 |
OSN6C16H20 |
ABC6D16E20 |
47.87 |
7.23 |
-8.77 |
-0.81 |
0 |
|
|
355895 |
127290747 |
1 |
O2N4C23H24 |
A2B4C23D24 |
6.68 |
4.66 |
-8.68 |
-0.09 |
0 |
|
|
355896 |
127290748 |
2 |
ON2C10H11 |
AB2C10D11 |
-11.13 |
6.61 |
-8.8 |
-0.88 |
0 |
|
|
355897 |
127290749 |
2 |
ON2C10H13 |
AB2C10D13 |
-38.96 |
4.05 |
-8.68 |
-0.22 |
0 |
|
|
355898 |
127290750 |
1 |
O2N5C16H21 |
A2B5C16D21 |
-15.83 |
5.87 |
-8.63 |
-0.79 |
0 |
|
|
355899 |
127290751 |
1 |
O2N7C20H27 |
A2B7C20D27 |
-2.34 |
4.01 |
-8.8 |
-0.82 |
0 |
|
|
355900 |
127290752 |
1 |
O3N4C20H26 |
A3B4C20D26 |
-69.25 |
5.93 |
-8.57 |
-0.18 |
0 |
|
|
355901 |
127290753 |
1 |
ON7C18H25 |
AB7C18D25 |
53.38 |
9.1 |
-8.64 |
-0.46 |
0 |
|
|
355902 |
127290754 |
1 |
ON6C13H18 |
AB6C13D18 |
38.98 |
3.29 |
-9.04 |
-0.22 |
0 |
|
|
355903 |
127290755 |
1 |
O2N6C19H22 |
A2B6C19D22 |
2.74 |
6.75 |
-8.59 |
-0.89 |
0 |
|
|
355904 |
127290756 |
1 |
O3N5C21H27 |
A3B5C21D27 |
-61.6 |
5.71 |
-8.97 |
-0.48 |
0 |
|
|
355905 |
127290757 |
1 |
ON7C19H27 |
AB7C19D27 |
39.37 |
5.66 |
-8.63 |
-0.2 |
0 |
|
|
355906 |
127290758 |
1 |
SO3N5C16H27 |
AB3C5D16E27 |
-85.87 |
8.12 |
-9.11 |
0.37 |
0 |
|
|
355907 |
127290759 |
2 |
ON2C10H11 |
AB2C10D11 |
-3.98 |
2.08 |
-8.67 |
-0.67 |
0 |
|
|
355908 |
127290760 |
1 |
O2N5C18H29 |
A2B5C18D29 |
-66.98 |
3.97 |
-8.83 |
0.56 |
0 |
|
|
355909 |
127290761 |
1 |
OSN6C16H20 |
ABC6D16E20 |
59.93 |
6.24 |
-8.75 |
-0.88 |
0 |
|
|
355910 |
127290762 |
1 |
O2N4C23H24 |
A2B4C23D24 |
17.07 |
2.39 |
-8.64 |
-0.05 |
0 |
|
|
355911 |
127290763 |
2 |
ON2C10H11 |
AB2C10D11 |
-0.71 |
2.68 |
-8.81 |
-0.75 |
0 |
|
|
355912 |
127290764 |
1 |
NO3C16H21 |
AB3C16D21 |
-136.86 |
3.97 |
-9.02 |
-0.25 |
0 |
|
|
355913 |
127290765 |
1 |
N2O4C21H24 |
A2B4C21D24 |
-151.67 |
1.92 |
-8.8 |
-0.8 |
0 |
|
|
355914 |
127290766 |
1 |
NO4C16H21 |
AB4C16D21 |
-170.64 |
5.17 |
-8.77 |
-0.39 |
0 |
|
|
355915 |
127290767 |
1 |
SN2O4C14H26 |
AB2C4D14E26 |
-204.0 |
4.63 |
-9.45 |
0.16 |
0 |
|
|
355916 |
127290768 |
1 |
SO2N3C15H19 |
AB2C3D15E19 |
-46.8 |
2.29 |
-8.8 |
-0.6 |
0 |
|
|
355917 |
127290769 |
1 |
N3O3C15H17 |
A3B3C15D17 |
-101.53 |
4.5 |
-9.33 |
-0.99 |
0 |
|
|
355918 |
127290770 |
1 |
N2O4C17H22 |
A2B4C17D22 |
-161.84 |
3.77 |
-9.25 |
-0.45 |
0 |
|
|
355919 |
127290771 |
1 |
N2O5C15H18 |
A2B5C15D18 |
-179.1 |
3.57 |
-9.3 |
-0.86 |
0 |
|
|
355920 |
127290772 |
2 |
ON3C7H10 |
AB3C7D10 |
-28.82 |
5.35 |
-9.0 |
-0.69 |
0 |
|
|
355921 |
127290773 |
1 |
N2O3C19H30 |
A2B3C19D30 |
-181.77 |
2.72 |
-9.6 |
0.58 |
0 |
|
|
355922 |
127290774 |
1 |
SN3O3C13H15 |
AB3C3D13E15 |
-86.47 |
4.1 |
-9.51 |
-1.65 |
0 |
|
|
355923 |
127290775 |
1 |
N3O3C22H29 |
A3B3C22D29 |
-118.81 |
4.22 |
-9.45 |
-0.72 |
0 |
|
|
355924 |
127290776 |
1 |
O2N3C14H23 |
A2B3C14D23 |
-60.7 |
2.07 |
-9.07 |
0.53 |
0 |
|
|
355925 |
127290777 |
1 |
O3N4C20H26 |
A3B4C20D26 |
-96.15 |
2.47 |
-8.67 |
-0.53 |
0 |
|
|
355926 |
127290778 |
1 |
O2N5C19H31 |
A2B5C19D31 |
-76.73 |
7.93 |
-9.01 |
0.56 |
0 |
|
|
355927 |
127290779 |
1 |
ON7C14H21 |
AB7C14D21 |
44.87 |
5.12 |
-9.14 |
0.1 |
0 |
|
|
355928 |
127290780 |
1 |
O2N5C22H29 |
A2B5C22D29 |
-37.48 |
7.14 |
-9.1 |
0.3 |
0 |
|
|
355929 |
127290781 |
1 |
O2N7C18H31 |
A2B7C18D31 |
-36.92 |
5.74 |
-8.77 |
0.12 |
0 |
|
|
355930 |
127290782 |
1 |
N3O3C15H23 |
A3B3C15D23 |
-103.98 |
3.39 |
-9.39 |
0.36 |
0 |
|
|
355931 |
127290783 |
1 |
O2N4C15H24 |
A2B4C15D24 |
-41.71 |
3.95 |
-9.02 |
0.43 |
0 |
|
|
355932 |
127290784 |
1 |
O3N4C19H30 |
A3B4C19D30 |
-113.72 |
8.91 |
-9.27 |
0.6 |
0 |
|
|
355933 |
127290785 |
1 |
O3N4C19H30 |
A3B4C19D30 |
-119.14 |
6.11 |
-9.34 |
0.52 |
0 |
|
|
355934 |
127290786 |
1 |
ON6C14H16 |
AB6C14D16 |
94.31 |
7.68 |
-9.45 |
-0.96 |
0 |
|
|
355935 |
127290787 |
1 |
O2N3C10H15 |
A2B3C10D15 |
-32.1 |
8.27 |
-9.37 |
0.63 |
0 |
|
|
355936 |
127290788 |
1 |
SN3O4C16H25 |
AB3C4D16E25 |
-148.0 |
6.8 |
-9.71 |
0.22 |
0 |
|
|
355937 |
127290789 |
1 |
O2N3C14H15 |
A2B3C14D15 |
-20.34 |
4.24 |
-8.88 |
-0.15 |
0 |
|
|
355938 |
127290790 |
2 |
NOC7H9 |
ABC7D9 |
-70.29 |
4.25 |
-8.6 |
0.21 |
0 |
|
|
355939 |
127290791 |
1 |
O2N3C16H19 |
A2B3C16D19 |
-37.46 |
7.06 |
-8.95 |
0.08 |
0 |
|
|
355940 |
127290792 |
1 |
SN3O4C19H29 |
AB3C4D19E29 |
-170.17 |
7.06 |
-8.85 |
-0.48 |
0 |
|
|
355941 |
127290793 |
1 |
SN3O4C19H29 |
AB3C4D19E29 |
-171.25 |
10.64 |
-9.07 |
-0.55 |
0 |
|
|
355942 |
127290794 |
1 |
SN3O3C21H25 |
AB3C3D21E25 |
-79.31 |
10.23 |
-9.04 |
-0.58 |
0 |
|
|
355943 |
127290795 |
1 |
O3N5C21H27 |
A3B5C21D27 |
-58.17 |
2.67 |
-8.21 |
0.15 |
0 |
|
|
355944 |
127290796 |
1 |
N3O3C16H21 |
A3B3C16D21 |
-118.15 |
5.44 |
-8.32 |
0.0 |
0 |
|
|
355945 |
127290935 |
1 |
N2O3C13H24 |
A2B3C13D24 |
-159.5 |
0.89 |
-9.65 |
1.27 |
0 |
|
|
355946 |
127290936 |
1 |
O2N3C14H23 |
A2B3C14D23 |
-82.33 |
7.45 |
-9.7 |
0.46 |
0 |
|
|
355947 |
127290937 |
1 |
N3O3C17H31 |
A3B3C17D31 |
-177.21 |
2.88 |
-9.43 |
0.99 |
0 |
|
|
355948 |
127290938 |
1 |
O2N5C15H25 |
A2B5C15D25 |
-51.16 |
3.56 |
-8.97 |
0.55 |
0 |
|
|
355949 |
127290939 |
1 |
N3O3C13H23 |
A3B3C13D23 |
-159.78 |
4.25 |
-9.17 |
0.96 |
0 |
|
|
355950 |
127290940 |
1 |
O2N3C15H29 |
A2B3C15D29 |
-121.87 |
2.45 |
-8.68 |
1.3 |
0 |
|
|
355951 |
127290941 |
1 |
O3N5C15H25 |
A3B5C15D25 |
-85.33 |
0.92 |
-8.9 |
0.66 |
0 |
|
|
355952 |
127290942 |
1 |
BrN2O2C17H23 |
AB2C2D17E23 |
-74.27 |
3.01 |
-9.52 |
-0.29 |
0 |
|
|
355953 |
127290943 |
1 |
O2N5C16H27 |
A2B5C16D27 |
-56.88 |
1.32 |
-8.85 |
0.68 |
0 |
|
|
355954 |
127290944 |
3 |
NOC5H9 |
ABC5D9 |
-171.05 |
5.6 |
-9.68 |
1.1 |
0 |
|
|
355955 |
127290945 |
1 |
N2O3C14H26 |
A2B3C14D26 |
-164.76 |
0.73 |
-9.64 |
1.25 |
0 |
|
|
355956 |
127290946 |
1 |
O2N3C20H31 |
A2B3C20D31 |
-91.16 |
2.2 |
-8.88 |
0.46 |
0 |
|
|
355957 |
127290947 |
1 |
BrN2O2C17H23 |
AB2C2D17E23 |
-71.47 |
6.16 |
-9.53 |
-0.25 |
0 |
|
|
355958 |
127290948 |
1 |
BrN2O2C17H23 |
AB2C2D17E23 |
-71.42 |
5.57 |
-9.53 |
-0.22 |
0 |
|
|
355959 |
127290949 |
1 |
O2N3C13H25 |
A2B3C13D25 |
-115.76 |
1.71 |
-8.55 |
1.12 |
0 |
|
|
355960 |
127290950 |
1 |
O2N4C13H22 |
A2B4C13D22 |
-66.08 |
2.38 |
-9.51 |
0.68 |
0 |
|
|
355961 |
127290951 |
1 |
SN3O3C15H27 |
AB3C3D15E27 |
-137.52 |
3.06 |
-8.76 |
0.36 |
0 |
|
|
355962 |
127290952 |
1 |
O2N3C18H27 |
A2B3C18D27 |
-83.52 |
1.11 |
-8.91 |
0.4 |
0 |
|
|
355963 |
127290953 |
2 |
ON2C9H12 |
AB2C9D12 |
-32.77 |
3.61 |
-9.09 |
0.27 |
0 |
|
|
355964 |
127290954 |
1 |
FN2O3C16H21 |
AB2C3D16E21 |
-167.48 |
2.39 |
-9.52 |
-0.46 |
0 |
|
|
355965 |
127290955 |
1 |
O2N3C16H31 |
A2B3C16D31 |
-127.35 |
3.55 |
-8.49 |
1.27 |
0 |
|
|
355966 |
127290956 |
1 |
ON5C18H31 |
AB5C18D31 |
-31.5 |
3.35 |
-8.63 |
0.78 |
0 |
|
|
355967 |
127290957 |
1 |
ON5C18H31 |
AB5C18D31 |
-30.81 |
3.02 |
-8.63 |
0.85 |
0 |
|
|
355968 |
127290958 |
1 |
O2N3C14H23 |
A2B3C14D23 |
-79.64 |
7.63 |
-9.65 |
0.53 |
0 |
|
|
355969 |
127290959 |
1 |
O2N3C16H19 |
A2B3C16D19 |
-41.99 |
7.85 |
-9.38 |
-0.01 |
0 |
|
|
355970 |
127290960 |
1 |
O2N3C16H31 |
A2B3C16D31 |
-129.42 |
2.71 |
-8.52 |
1.25 |
0 |
|
|
355971 |
127290961 |
1 |
N2O4C19H28 |
A2B4C19D28 |
-166.53 |
1.88 |
-8.85 |
0.1 |
0 |
|
|
355972 |
127290962 |
1 |
SO3N6C16H28 |
AB3C6D16E28 |
-90.23 |
6.34 |
-9.07 |
0.41 |
0 |
|
|
355973 |
127290963 |
1 |
SN3O4C12H23 |
AB3C4D12E23 |
-195.82 |
3.2 |
-9.33 |
0.5 |
0 |
|
|
355974 |
127290964 |
1 |
ON5C18H31 |
AB5C18D31 |
-29.77 |
3.53 |
-8.59 |
0.74 |
0 |
|
|
355975 |
127290965 |
1 |
O2N5C16H27 |
A2B5C16D27 |
-58.68 |
1.93 |
-8.78 |
0.7 |
0 |
|
|
355976 |
127290966 |
1 |
N2O3C12H22 |
A2B3C12D22 |
-158.31 |
0.77 |
-9.62 |
1.28 |
0 |
|
|
355977 |
127290967 |
1 |
N4O4C19H24 |
A4B4C19D24 |
-119.87 |
7.36 |
-9.67 |
-0.54 |
0 |
|
|
355978 |
127290968 |
1 |
ON6C16H28 |
AB6C16D28 |
-7.17 |
3.52 |
-8.63 |
0.71 |
0 |
|
|
355979 |
127290969 |
1 |
O2N3C12H23 |
A2B3C12D23 |
-106.46 |
2.87 |
-8.7 |
1.25 |
0 |
|
|
355980 |
127290970 |
2 |
ON2C6H10 |
AB2C6D10 |
-56.1 |
6.2 |
-8.92 |
0.41 |
0 |
|
|
355981 |
127290971 |
1 |
ClO2N3C19H28 |
AB2C3D19E28 |
-85.03 |
2.22 |
-8.68 |
-0.28 |
0 |
|
|
355982 |
127290972 |
1 |
N3O3C14H27 |
A3B3C14D27 |
-153.53 |
2.13 |
-8.9 |
1.11 |
0 |
|
|
355983 |
127290973 |
1 |
N2O2C13H22 |
A2B2C13D22 |
-100.64 |
4.74 |
-9.44 |
1.11 |
0 |
|
|
355984 |
127290974 |
1 |
FN3O3C18H26 |
AB3C3D18E26 |
-163.24 |
3.11 |
-8.9 |
-0.31 |
0 |