List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
362889 |
127309718 |
1 |
O2N4C23H26 |
A2B4C23D26 |
-46.59 |
5.02 |
-8.86 |
-0.37 |
0 |
|
|
362890 |
127309719 |
1 |
O2N3C16H21 |
A2B3C16D21 |
-76.84 |
2.53 |
-9.33 |
0.15 |
0 |
|
|
362891 |
127309720 |
1 |
SO2N3C18H21 |
AB2C3D18E21 |
-34.18 |
2.62 |
-9.26 |
-0.56 |
0 |
|
|
362892 |
127309721 |
2 |
NOC9H13 |
ABC9D13 |
-103.51 |
2.92 |
-9.04 |
0.47 |
0 |
|
|
362893 |
127309722 |
1 |
O2N4C19H24 |
A2B4C19D24 |
-20.16 |
5.61 |
-8.9 |
-0.63 |
0 |
|
|
362894 |
127309723 |
1 |
ON5C19H23 |
AB5C19D23 |
27.53 |
7.13 |
-8.65 |
-0.27 |
0 |
|
|
362895 |
127309724 |
1 |
ON4C23H26 |
AB4C23D26 |
6.42 |
1.47 |
-9.04 |
-0.22 |
0 |
|
|
362896 |
127309725 |
1 |
ON5C19H23 |
AB5C19D23 |
16.62 |
4.01 |
-8.78 |
-0.21 |
0 |
|
|
362897 |
127309727 |
1 |
O2N4C19H24 |
A2B4C19D24 |
-24.35 |
1.7 |
-9.38 |
0.18 |
0 |
|
|
362898 |
127309728 |
1 |
SO2N3C21H25 |
AB2C3D21E25 |
-50.3 |
1.05 |
-9.13 |
-0.64 |
0 |
|
|
362899 |
127309729 |
1 |
O2N3C22H31 |
A2B3C22D31 |
-94.12 |
1.24 |
-9.14 |
0.34 |
0 |
|
|
362900 |
127309730 |
1 |
O2N3C19H23 |
A2B3C19D23 |
-20.94 |
4.15 |
-9.16 |
0.17 |
0 |
|
|
362901 |
127309731 |
1 |
N3O3C20H27 |
A3B3C20D27 |
-118.23 |
5.5 |
-9.14 |
0.37 |
0 |
|
|
362902 |
127309732 |
1 |
ON4C19H24 |
AB4C19D24 |
-9.67 |
3.29 |
-9.11 |
0.34 |
0 |
|
|
362903 |
127309733 |
1 |
ON4C18H24 |
AB4C18D24 |
-8.38 |
5.8 |
-9.04 |
0.44 |
0 |
|
|
362904 |
127309734 |
2 |
NOC9H12 |
ABC9D12 |
1.62 |
5.36 |
-9.04 |
0.47 |
0 |
|
|
362905 |
127309735 |
1 |
O2N5C20H25 |
A2B5C20D25 |
-29.91 |
2.35 |
-8.91 |
-0.2 |
0 |
|
|
362906 |
127309736 |
1 |
O2N3C23H33 |
A2B3C23D33 |
-104.35 |
4.45 |
-9.12 |
0.38 |
0 |
|
|
362907 |
127309737 |
1 |
O2N3C21H23 |
A2B3C21D23 |
-41.48 |
2.28 |
-9.26 |
0.24 |
0 |
|
|
362908 |
127309746 |
1 |
ON5C19H23 |
AB5C19D23 |
24.99 |
4.26 |
-8.86 |
-0.42 |
0 |
|
|
362909 |
127309747 |
1 |
N2O3C22H26 |
A2B3C22D26 |
-86.34 |
2.69 |
-8.28 |
0.13 |
0 |
|
|
362910 |
127309748 |
1 |
ON5C21H23 |
AB5C21D23 |
39.76 |
1.48 |
-8.78 |
-0.71 |
0 |
|
|
362911 |
127309749 |
2 |
ON2C10H13 |
AB2C10D13 |
-15.55 |
1.53 |
-9.1 |
0.0 |
0 |
|
|
362912 |
127309750 |
1 |
O2N3C17H21 |
A2B3C17D21 |
-19.0 |
3.49 |
-9.15 |
0.08 |
0 |
|
|
362913 |
127309751 |
1 |
ON4C17H22 |
AB4C17D22 |
12.3 |
5.78 |
-9.03 |
0.48 |
0 |
|
|
362914 |
127309752 |
1 |
O2N3C21H25 |
A2B3C21D25 |
-44.08 |
3.94 |
-8.38 |
0.2 |
0 |
|
|
362915 |
127309753 |
2 |
ON2C11H16 |
AB2C11D16 |
-84.01 |
3.05 |
-8.92 |
0.43 |
0 |
|
|
362916 |
127309754 |
1 |
ON4C19H24 |
AB4C19D24 |
6.23 |
2.36 |
-9.06 |
0.43 |
0 |
|
|
362917 |
127309755 |
2 |
NOC8H11 |
ABC8D11 |
-68.81 |
5.54 |
-9.2 |
0.34 |
0 |
|
|
362918 |
127309756 |
1 |
FO2N3C22H24 |
AB2C3D22E24 |
-90.41 |
6.26 |
-9.32 |
-0.65 |
0 |
|
|
362919 |
127309855 |
2 |
ON3C9H16 |
AB3C9D16 |
-46.6 |
2.9 |
-8.64 |
-0.02 |
0 |
|
|
362920 |
127309856 |
1 |
OSN6C17H30 |
ABC6D17E30 |
-15.23 |
6.45 |
-8.66 |
-0.33 |
0 |
|
|
362921 |
127309857 |
2 |
ON3C7H13 |
AB3C7D13 |
-44.42 |
5.73 |
-8.18 |
0.26 |
0 |
|
|
362922 |
127309858 |
1 |
O2N5C15H31 |
A2B5C15D31 |
-88.72 |
2.83 |
-8.36 |
1.1 |
0 |
|
|
362923 |
127309859 |
1 |
O3N5C19H29 |
A3B5C19D29 |
-102.64 |
4.38 |
-8.04 |
0.12 |
0 |
|
|
362924 |
127309860 |
1 |
O2N6C19H36 |
A2B6C19D36 |
-100.28 |
2.09 |
-8.38 |
0.95 |
0 |
|
|
362925 |
127309861 |
1 |
O2N4C13H26 |
A2B4C13D26 |
-84.2 |
2.3 |
-8.45 |
1.28 |
0 |
|
|
362926 |
127309862 |
1 |
ON4C13H26 |
AB4C13D26 |
-54.29 |
5.66 |
-8.48 |
1.21 |
0 |
|
|
362927 |
127309863 |
1 |
O2N4C19H30 |
A2B4C19D30 |
-73.74 |
4.58 |
-8.46 |
0.11 |
0 |
|
|
362928 |
127309864 |
1 |
O2N6C17H34 |
A2B6C17D34 |
-103.27 |
4.36 |
-8.71 |
1.05 |
0 |
|
|
362929 |
127309865 |
1 |
O2N5C18H27 |
A2B5C18D27 |
-46.17 |
6.96 |
-8.67 |
-0.22 |
0 |
|
|
362930 |
127309866 |
1 |
O3N5C19H27 |
A3B5C19D27 |
-111.71 |
5.09 |
-8.59 |
0.02 |
0 |
|
|
362931 |
127309867 |
1 |
O2N6C17H34 |
A2B6C17D34 |
-99.73 |
1.46 |
-8.58 |
1.03 |
0 |
|
|
362932 |
127309868 |
1 |
O2N5C18H35 |
A2B5C18D35 |
-114.2 |
5.25 |
-8.52 |
1.14 |
0 |
|
|
362933 |
127309869 |
1 |
OSN5C16H27 |
ABC5D16E27 |
-21.13 |
2.71 |
-8.35 |
-0.54 |
0 |
|
|
362934 |
127309870 |
1 |
O2N5C18H35 |
A2B5C18D35 |
-122.58 |
2.15 |
-8.76 |
1.02 |
0 |
|
|
362935 |
127309941 |
1 |
N3O4C19H27 |
A3B4C19D27 |
-161.84 |
5.03 |
-9.59 |
-0.25 |
0 |
|
|
362936 |
127309942 |
1 |
N3O4C21H31 |
A3B4C21D31 |
-167.71 |
4.1 |
-9.61 |
-0.23 |
0 |
|
|
362937 |
127309943 |
1 |
N3O3C20H31 |
A3B3C20D31 |
-121.22 |
2.92 |
-8.67 |
0.11 |
0 |
|
|
362938 |
127309944 |
1 |
N3O3C21H31 |
A3B3C21D31 |
-96.62 |
5.16 |
-8.78 |
0.16 |
0 |
|
|
362939 |
127309945 |
1 |
N3O3C22H33 |
A3B3C22D33 |
-121.4 |
3.33 |
-8.78 |
0.0 |
0 |
|
|
362940 |
127309946 |
1 |
N3O4C18H25 |
A3B4C18D25 |
-153.96 |
6.55 |
-9.57 |
-0.04 |
0 |
|
|
362941 |
127309947 |
1 |
ON3C16H23 |
AB3C16D23 |
-32.4 |
3.93 |
-8.68 |
0.12 |
0 |
|
|
362942 |
127309948 |
1 |
ON2C14H18 |
AB2C14D18 |
-18.68 |
4.19 |
-9.28 |
0.15 |
0 |
|
|
362943 |
127309949 |
1 |
O2N4C19H24 |
A2B4C19D24 |
-27.52 |
6.06 |
-9.36 |
-0.08 |
0 |
|
|
362944 |
127309950 |
2 |
NOC9H12 |
ABC9D12 |
-91.06 |
3.61 |
-9.29 |
0.16 |
0 |
|
|
362945 |
127309951 |
1 |
O2N3C21H23 |
A2B3C21D23 |
-41.29 |
7.35 |
-9.4 |
-0.12 |
0 |
|
|
362946 |
127309952 |
1 |
ON5C23H27 |
AB5C23D27 |
27.08 |
5.14 |
-8.68 |
-0.58 |
0 |
|
|
362947 |
127309953 |
1 |
ON4C20H26 |
AB4C20D26 |
-4.55 |
4.91 |
-9.01 |
0.01 |
0 |
|
|
362948 |
127309954 |
2 |
NOC8H11 |
ABC8D11 |
-78.13 |
4.62 |
-9.38 |
0.12 |
0 |
|
|
362949 |
127309955 |
1 |
ON3C17H25 |
AB3C17D25 |
-34.42 |
4.05 |
-8.67 |
0.16 |
0 |
|
|
362950 |
127309956 |
1 |
O2N3C16H21 |
A2B3C16D21 |
-80.25 |
3.14 |
-9.47 |
0.02 |
0 |
|
|
362951 |
127309957 |
2 |
ON2C11H16 |
AB2C11D16 |
-85.0 |
6.74 |
-8.88 |
0.07 |
0 |
|
|
362952 |
127309958 |
2 |
NOC10H11 |
ABC10D11 |
-57.11 |
4.25 |
-9.4 |
-0.11 |
0 |
|
|
362953 |
127309959 |
1 |
ON7C21H25 |
AB7C21D25 |
50.36 |
2.68 |
-8.97 |
-0.67 |
0 |
|
|
362954 |
127309960 |
1 |
O2N5C20H27 |
A2B5C20D27 |
-13.46 |
4.35 |
-8.99 |
-0.28 |
0 |
|
|
362955 |
127309961 |
2 |
NOC10H11 |
ABC10D11 |
-57.71 |
2.43 |
-9.39 |
0.02 |
0 |
|
|
362956 |
127309962 |
2 |
NOC8H11 |
ABC8D11 |
-90.36 |
3.43 |
-9.33 |
0.06 |
0 |
|
|
362957 |
127309963 |
2 |
ON2C11H16 |
AB2C11D16 |
-84.72 |
4.84 |
-8.83 |
0.25 |
0 |
|
|
362958 |
127309964 |
2 |
ON2C10H13 |
AB2C10D13 |
-29.74 |
4.6 |
-9.16 |
-0.3 |
0 |
|
|
362959 |
127309965 |
1 |
O2N4C21H36 |
A2B4C21D36 |
-97.22 |
3.99 |
-8.83 |
0.51 |
0 |
|
|
362960 |
127309966 |
1 |
O3N4C20H34 |
A3B4C20D34 |
-137.44 |
3.51 |
-8.95 |
0.4 |
0 |
|
|
362961 |
127309967 |
1 |
N4O4C19H32 |
A4B4C19D32 |
-178.93 |
2.64 |
-8.95 |
0.35 |
0 |
|
|
362962 |
127309980 |
1 |
N2O3C16H20 |
A2B3C16D20 |
-105.01 |
4.58 |
-8.8 |
-0.21 |
0 |
|
|
362963 |
127309981 |
1 |
O3N5C21H23 |
A3B5C21D23 |
-53.9 |
9.71 |
-9.75 |
-1.11 |
0 |
|
|
362964 |
127309982 |
1 |
SN2O4C20H24 |
AB2C4D20E24 |
-113.07 |
6.17 |
-8.83 |
-0.54 |
0 |
|
|
362965 |
127309983 |
1 |
SN2O4C20H24 |
AB2C4D20E24 |
-112.02 |
3.53 |
-8.74 |
-0.94 |
0 |
|
|
362966 |
127309984 |
1 |
N2S2O3C18H24 |
A2B2C3D18E24 |
-93.55 |
3.88 |
-8.58 |
-0.67 |
0 |
|
|
362967 |
127309985 |
1 |
SO2N3C20H27 |
AB2C3D20E27 |
-79.36 |
4.9 |
-8.49 |
-0.46 |
0 |
|
|
362968 |
127309986 |
1 |
OSN3C16H19 |
ABC3D16E19 |
7.33 |
6.09 |
-9.28 |
-0.94 |
0 |
|
|
362969 |
127309987 |
1 |
SN2O3C22H26 |
AB2C3D22E26 |
-90.65 |
4.74 |
-8.98 |
-0.76 |
0 |
|
|
362970 |
127309988 |
1 |
N2O3C21H22 |
A2B3C21D22 |
-98.97 |
4.07 |
-8.54 |
-0.44 |
0 |
|
|
362971 |
127309989 |
1 |
O2N3C21H27 |
A2B3C21D27 |
-42.51 |
4.77 |
-8.98 |
-0.5 |
0 |
|
|
362972 |
127309990 |
1 |
SO2N3C20H23 |
AB2C3D20E23 |
-45.2 |
5.27 |
-8.98 |
-0.39 |
0 |
|
|
362973 |
127309991 |
1 |
SN3O3C21H25 |
AB3C3D21E25 |
-80.69 |
2.59 |
-9.02 |
-1.17 |
0 |
|
|
362974 |
127309992 |
1 |
O2N3C24H31 |
A2B3C24D31 |
-68.84 |
1.6 |
-8.55 |
-0.11 |
0 |
|
|
362975 |
127309993 |
1 |
ON4C21H26 |
AB4C21D26 |
-7.16 |
2.54 |
-8.9 |
-0.16 |
0 |
|
|
362976 |
127309994 |
1 |
O2N3C24H29 |
A2B3C24D29 |
-69.42 |
2.95 |
-8.89 |
-0.28 |
0 |
|
|
362977 |
127309995 |
1 |
O2N3C21H25 |
A2B3C21D25 |
-44.8 |
2.39 |
-9.03 |
-0.41 |
0 |
|
|
362978 |
127309996 |
1 |
N2O3C24H28 |
A2B3C24D28 |
-106.33 |
3.22 |
-9.04 |
-0.26 |
0 |
|
|
362979 |
127309997 |
1 |
O2N3C20H25 |
A2B3C20D25 |
-39.65 |
4.33 |
-9.21 |
0.34 |
0 |
|
|
362980 |
127309998 |
2 |
NOC10H14 |
ABC10D14 |
-111.33 |
3.3 |
-9.16 |
0.38 |
0 |
|
|
362981 |
127309999 |
1 |
O2N3C17H21 |
A2B3C17D21 |
-30.05 |
4.28 |
-9.14 |
-0.5 |
0 |
|
|
362982 |
127310000 |
1 |
N3O3C22H29 |
A3B3C22D29 |
-135.87 |
2.71 |
-9.36 |
-0.35 |
0 |
|
|
362983 |
127310001 |
1 |
O2N3C18H23 |
A2B3C18D23 |
-38.08 |
5.57 |
-8.99 |
-0.49 |
0 |
|
|
362984 |
127310002 |
1 |
SN2O4C20H28 |
AB2C4D20E28 |
-191.48 |
8.38 |
-9.31 |
0.23 |
0 |
|
|
362985 |
127310003 |
1 |
O2N3C21H25 |
A2B3C21D25 |
-47.45 |
1.83 |
-8.29 |
-0.23 |
0 |
|
|
362986 |
127310004 |
2 |
NOC11H12 |
ABC11D12 |
-70.33 |
6.9 |
-8.47 |
-0.27 |
0 |
|
|
362987 |
127310005 |
2 |
NOC12H13 |
ABC12D13 |
-33.61 |
3.08 |
-9.03 |
-0.62 |
0 |
|
|
362988 |
127310009 |
1 |
F3N3O3C16H22 |
A3B3C3D16E22 |
-308.3 |
5.3 |
-9.46 |
-0.07 |
0 |