List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
67051 |
46505767 |
1 |
O5C32H42 |
A5B32C42 |
-168.61 |
3.46 |
-8.03 |
-0.46 |
0 |
|
|
67052 |
46505768 |
1 |
O5C33H44 |
A5B33C44 |
-174.62 |
4.95 |
-8.13 |
-0.41 |
0 |
|
|
67053 |
46505770 |
2 |
OH9C11 |
AB9C11 |
-7.95 |
3.28 |
-8.94 |
-0.5 |
0 |
|
|
67054 |
46505772 |
1 |
O3C22H24 |
A3B22C24 |
-72.95 |
6.04 |
-8.51 |
-0.7 |
0 |
|
|
67055 |
46505776 |
1 |
FOC17H19 |
ABC17D19 |
-72.37 |
3.33 |
-9.83 |
-0.36 |
0 |
|
|
67056 |
46505777 |
1 |
ClOC17H19 |
ABC17D19 |
-33.15 |
3.82 |
-9.59 |
-0.34 |
0 |
|
|
67057 |
46505779 |
1 |
ON4C33H36 |
AB4C33D36 |
81.37 |
4.12 |
-8.75 |
-0.76 |
0 |
|
|
67058 |
46505780 |
1 |
ON2H30C31 |
AB2C30D31 |
58.79 |
2.21 |
-7.9 |
-0.27 |
0 |
|
|
67059 |
46505782 |
1 |
O3C23H26 |
A3B23C26 |
-85.76 |
6.69 |
-8.78 |
-0.41 |
0 |
|
|
67060 |
46505784 |
2 |
OC11H15 |
AB11C15 |
-86.4 |
4.51 |
-8.78 |
-0.14 |
0 |
|
|
67061 |
46505785 |
1 |
O3C23H26 |
A3B23C26 |
-80.2 |
5.81 |
-8.34 |
-0.62 |
0 |
|
|
67062 |
46505790 |
1 |
NO3C36H43 |
AB3C36D43 |
-52.19 |
0.91 |
-8.55 |
-0.41 |
0 |
|
|
67063 |
46505791 |
1 |
O3C31H40 |
A3B31C40 |
-98.51 |
5.42 |
-8.47 |
-0.37 |
0 |
|
|
67064 |
46505795 |
1 |
OC25H28 |
AB25C28 |
6.82 |
3.71 |
-9.54 |
-0.48 |
0 |
|
|
67065 |
46505799 |
3 |
OC7H8 |
AB7C8 |
-56.99 |
3.22 |
-8.98 |
-1.09 |
0 |
|
|
67066 |
46505803 |
1 |
OS2H18C22 |
AB2C18D22 |
70.68 |
3.24 |
-8.97 |
-0.67 |
0 |
|
|
67067 |
46505804 |
1 |
O3C27H32 |
A3B27C32 |
-70.26 |
4.22 |
-8.76 |
-0.29 |
0 |
|
|
67068 |
46505805 |
1 |
OCl2C25H26 |
AB2C25D26 |
-13.57 |
3.4 |
-9.66 |
-0.73 |
0 |
|
|
67069 |
46505806 |
1 |
O5C29H36 |
A5B29C36 |
-138.8 |
5.11 |
-8.29 |
-0.41 |
0 |
|
|
67070 |
46505807 |
1 |
O5C29H36 |
A5B29C36 |
-155.46 |
3.85 |
-8.62 |
-0.25 |
0 |
|
|
67071 |
46505808 |
1 |
O5C29H36 |
A5B29C36 |
-148.8 |
2.77 |
-8.27 |
-0.42 |
0 |
|
|
67072 |
46505809 |
1 |
OF2C25H26 |
AB2C25D26 |
-86.7 |
4.29 |
-9.74 |
-0.54 |
0 |
|
|
67073 |
46505812 |
1 |
O3H26C28 |
A3B26C28 |
-22.58 |
4.45 |
-8.75 |
-0.42 |
0 |
|
|
67074 |
46505816 |
1 |
O5C32H34 |
A5B32C34 |
-106.52 |
4.49 |
-8.1 |
-0.09 |
0 |
|
|
67075 |
46505820 |
1 |
O5C30H38 |
A5B30C38 |
-158.37 |
5.19 |
-8.33 |
-0.27 |
0 |
|
|
67076 |
46505821 |
1 |
OF2C24H24 |
AB2C24D24 |
-83.6 |
4.24 |
-9.75 |
-0.54 |
0 |
|
|
67077 |
46505822 |
1 |
OF2H20C22 |
AB2C20D22 |
-74.0 |
4.04 |
-9.74 |
-0.5 |
0 |
|
|
67078 |
46505826 |
1 |
O5C26H30 |
A5B26C30 |
-141.6 |
5.23 |
-8.44 |
-0.22 |
0 |
|
|
67079 |
46505827 |
1 |
O5C26H30 |
A5B26C30 |
-132.55 |
3.2 |
-8.2 |
-0.08 |
0 |
|
|
67080 |
46505830 |
1 |
OF2C25H26 |
AB2C25D26 |
-87.42 |
4.62 |
-9.38 |
-0.47 |
0 |
|
|
67081 |
46505832 |
1 |
OC26H30 |
AB26C30 |
-9.33 |
3.54 |
-9.02 |
-0.17 |
0 |
|
|
67082 |
46505833 |
1 |
OF2C24H24 |
AB2C24D24 |
-84.64 |
4.5 |
-9.44 |
-0.46 |
0 |
|
|
67083 |
46505839 |
1 |
OBr2C25H26 |
AB2C25D26 |
12.33 |
4.32 |
-9.35 |
-0.55 |
0 |
|
|
67084 |
46505840 |
1 |
OBr2H20C22 |
AB2C20D22 |
22.52 |
2.1 |
-9.44 |
-0.36 |
0 |
|
|
67085 |
46505845 |
1 |
O7C31H40 |
A7B31C40 |
-218.69 |
8.37 |
-8.22 |
-0.45 |
0 |
|
|
67086 |
46505846 |
1 |
O5C29H36 |
A5B29C36 |
-144.45 |
5.58 |
-8.38 |
-0.37 |
0 |
|
|
67087 |
46505849 |
1 |
ON2C20H24 |
AB2C20D24 |
21.19 |
0.92 |
-8.55 |
-0.62 |
0 |
|
|
67088 |
46505850 |
1 |
O7C28H34 |
A7B28C34 |
-202.85 |
4.93 |
-8.45 |
-0.34 |
0 |
|
|
67089 |
46505851 |
1 |
O7C32H34 |
A7B32C34 |
-171.61 |
5.56 |
-8.04 |
-0.21 |
0 |
|
|
67090 |
46505853 |
1 |
NBr2O3C23H23 |
AB2C3D23E23 |
-36.75 |
1.0 |
-9.15 |
-0.87 |
0 |
|
|
67091 |
46505854 |
1 |
OS2C23H28 |
AB2C23D28 |
-3.52 |
3.76 |
-8.93 |
-0.61 |
0 |
|
|
67092 |
46505858 |
1 |
Br2O3C24H24 |
A2B3C24D24 |
-54.69 |
2.29 |
-9.13 |
-0.53 |
0 |
|
|
67093 |
46505859 |
1 |
NOBr2S2H15C17 |
ABC2D2E15F17 |
52.25 |
0.75 |
-9.27 |
-1.39 |
0 |
|
|
67094 |
46505863 |
1 |
O3N4C30H30 |
A3B4C30D30 |
38.77 |
5.55 |
-8.97 |
-0.69 |
0 |
|
|
67095 |
46505864 |
1 |
O3N5C30H31 |
A3B5C30D31 |
49.84 |
10.69 |
-9.03 |
-0.58 |
0 |
|
|
67096 |
46505865 |
1 |
O3N4C33H36 |
A3B4C33D36 |
2.39 |
9.01 |
-8.84 |
-0.72 |
0 |
|
|
67097 |
46505866 |
1 |
O3N4C34H38 |
A3B4C34D38 |
-2.88 |
4.95 |
-8.81 |
-0.46 |
0 |
|
|
67098 |
46505871 |
1 |
OBr2S2H14C17 |
AB2C2D14E17 |
38.62 |
2.24 |
-9.32 |
-1.36 |
0 |
|
|
67099 |
46505872 |
1 |
NOBr2S2H17C18 |
ABC2D2E17F18 |
46.8 |
1.05 |
-9.19 |
-1.37 |
0 |
|
|
67100 |
46505874 |
1 |
N2O2H22C23 |
A2B2C22D23 |
12.6 |
6.09 |
-8.97 |
-0.67 |
0 |
|
|
67101 |
46505876 |
1 |
O2C19H24 |
A2B19C24 |
-69.57 |
4.23 |
-8.87 |
0.03 |
0 |
|
|
67102 |
46505877 |
2 |
FOH7C9 |
ABC7D9 |
-115.86 |
4.98 |
-9.33 |
-0.68 |
0 |
|
|
67103 |
46505879 |
1 |
BrSO2H13C16 |
ABC2D13E16 |
-16.57 |
4.36 |
-9.3 |
-0.76 |
0 |
|
|
67104 |
46505880 |
1 |
ON3C19H23 |
AB3C19D23 |
38.42 |
1.41 |
-8.69 |
-0.76 |
0 |
|
|
67105 |
46505881 |
1 |
O3C29H36 |
A3B29C36 |
-88.08 |
5.71 |
-8.74 |
-0.32 |
0 |
|
|
67106 |
46505883 |
1 |
OC29H36 |
AB29C36 |
-22.37 |
4.57 |
-9.19 |
-0.34 |
0 |
|
|
67107 |
46505885 |
1 |
O5C33H44 |
A5B33C44 |
-174.99 |
4.52 |
-8.21 |
-0.36 |
0 |
|
|
67108 |
46505889 |
1 |
OBr2F2H18C22 |
AB2C2D18E22 |
-66.44 |
2.02 |
-9.83 |
-0.94 |
0 |
|
|
67109 |
46505891 |
1 |
O5C34H46 |
A5B34C46 |
-178.66 |
4.47 |
-8.29 |
-0.46 |
0 |
|
|
67110 |
46505893 |
3 |
OC10H10 |
AB10C10 |
-41.4 |
3.4 |
-8.71 |
-0.42 |
0 |
|
|
67111 |
46505895 |
1 |
OC30H30 |
AB30C30 |
28.21 |
3.58 |
-9.18 |
-0.4 |
0 |
|
|
67112 |
46505896 |
1 |
O5C34H38 |
A5B34C38 |
-125.63 |
3.48 |
-8.26 |
-0.36 |
0 |
|
|
67113 |
46505897 |
1 |
N2O3C33H42 |
A2B3C33D42 |
-71.13 |
2.9 |
-8.37 |
-0.39 |
0 |
|
|
67114 |
46505899 |
1 |
N2O3C34H36 |
A2B3C34D36 |
-21.7 |
2.93 |
-8.38 |
-0.59 |
0 |
|
|
67115 |
46505900 |
1 |
OF4H24C25 |
AB4C24D25 |
-176.74 |
2.0 |
-9.95 |
-0.87 |
0 |
|
|
67116 |
46505904 |
1 |
N2O3C32H40 |
A2B3C32D40 |
-71.03 |
3.01 |
-8.35 |
-0.33 |
0 |
|
|
67117 |
46505905 |
1 |
OBr2S2C21H22 |
AB2C2D21E22 |
21.25 |
2.5 |
-9.34 |
-1.25 |
0 |
|
|
67118 |
46505907 |
1 |
OCl2F2H24C25 |
AB2C2D24E25 |
-104.2 |
4.73 |
-9.78 |
-0.75 |
0 |
|
|
67119 |
46505909 |
1 |
OCl2F2H18C22 |
AB2C2D18E22 |
-91.37 |
4.63 |
-9.85 |
-0.61 |
0 |
|
|
67120 |
46505910 |
1 |
OCl2F2H18C26 |
AB2C2D18E26 |
-53.02 |
4.32 |
-9.35 |
-0.63 |
0 |
|
|
67121 |
46505911 |
1 |
O3C26H30 |
A3B26C30 |
-71.9 |
2.02 |
-8.67 |
-0.22 |
0 |
|
|
67122 |
46505914 |
1 |
O3N5C32H35 |
A3B5C32D35 |
39.1 |
9.52 |
-8.93 |
-0.64 |
0 |
|
|
67123 |
46505916 |
1 |
NO5C33H45 |
AB5C33D45 |
-159.24 |
1.79 |
-8.2 |
-0.44 |
0 |
|
|
67124 |
46505917 |
1 |
O5C37H52 |
A5B37C52 |
-187.64 |
4.11 |
-8.16 |
-0.56 |
0 |
|
|
67125 |
46505918 |
1 |
O3C35H48 |
A3B35C48 |
-116.94 |
6.3 |
-8.46 |
-0.21 |
0 |
|
|
67126 |
46505919 |
1 |
O5C36H50 |
A5B36C50 |
-183.89 |
5.04 |
-8.04 |
-0.36 |
0 |
|
|
67127 |
46505921 |
1 |
O5C34H46 |
A5B34C46 |
-178.05 |
2.58 |
-8.13 |
-0.27 |
0 |
|
|
67128 |
46505923 |
1 |
O5C38H46 |
A5B38C46 |
-142.63 |
2.77 |
-8.23 |
-0.25 |
0 |
|
|
67129 |
46505924 |
3 |
OC12H14 |
AB12C14 |
-66.62 |
2.87 |
-8.5 |
-0.26 |
0 |
|
|
67130 |
46505925 |
1 |
NO3H17C18 |
AB3C17D18 |
-19.28 |
3.39 |
-8.9 |
-1.0 |
0 |
|
|
67131 |
46505927 |
1 |
NO5C26H29 |
AB5C26D29 |
-103.69 |
3.02 |
-8.17 |
-0.3 |
0 |
|
|
67132 |
46505928 |
1 |
NO5C26H29 |
AB5C26D29 |
-116.76 |
3.17 |
-8.17 |
-0.32 |
0 |
|
|
67133 |
46505929 |
1 |
NO5C26H29 |
AB5C26D29 |
-107.72 |
3.83 |
-8.06 |
-0.18 |
0 |
|
|
67134 |
46505932 |
1 |
N3O5H19C22 |
A3B5C19D22 |
33.9 |
2.66 |
-9.66 |
-1.56 |
0 |
|
|
67135 |
46505933 |
1 |
NOC24H25 |
ABC24D25 |
26.08 |
1.42 |
-9.0 |
-0.48 |
0 |
|
|
67136 |
46505934 |
1 |
NO7C28H33 |
AB7C28D33 |
-182.31 |
6.93 |
-8.62 |
-0.63 |
0 |
|
|
67137 |
46505935 |
1 |
NOC24H25 |
ABC24D25 |
24.09 |
1.62 |
-8.95 |
-0.55 |
0 |
|
|
67138 |
46505937 |
1 |
NO7C28H33 |
AB7C28D33 |
-185.18 |
2.28 |
-7.98 |
-0.31 |
0 |
|
|
67139 |
46505938 |
1 |
NO5C26H29 |
AB5C26D29 |
-107.56 |
5.44 |
-8.31 |
-0.44 |
0 |
|
|
67140 |
46505940 |
1 |
NBr2O3H23C24 |
AB2C3D23E24 |
-30.53 |
3.48 |
-8.98 |
-0.5 |
0 |
|
|
67141 |
46505943 |
1 |
NOF6H19C24 |
ABC6D19E24 |
-283.37 |
2.14 |
-9.58 |
-0.98 |
0 |
|
|
67142 |
46505944 |
1 |
NBr2O3H23C24 |
AB2C3D23E24 |
-29.64 |
6.17 |
-9.01 |
-0.57 |
0 |
|
|
67143 |
46505947 |
1 |
NO5C34H45 |
AB5C34D45 |
-155.11 |
4.38 |
-8.37 |
-0.5 |
0 |
|
|
67144 |
46505948 |
1 |
NO5C30H37 |
AB5C30D37 |
-139.44 |
4.06 |
-8.28 |
-0.56 |
0 |
|
|
67145 |
46505949 |
1 |
N3O3C30H35 |
A3B3C30D35 |
-38.51 |
1.19 |
-8.37 |
-0.54 |
0 |
|
|
67146 |
46505951 |
1 |
NO5C34H45 |
AB5C34D45 |
-158.97 |
5.0 |
-8.35 |
-0.54 |
0 |
|
|
67147 |
46505952 |
1 |
NO3C30H37 |
AB3C30D37 |
-71.68 |
4.03 |
-8.75 |
-0.53 |
0 |
|
|
67148 |
46505954 |
1 |
NOBr2H19C22 |
ABC2D19E22 |
46.72 |
3.71 |
-9.38 |
-0.75 |
0 |
|
|
67149 |
46505958 |
1 |
O3C20H26 |
A3B20C26 |
-98.14 |
2.57 |
-8.27 |
-0.37 |
0 |
|
|
67150 |
46505959 |
1 |
NOCl2H19C22 |
ABC2D19E22 |
23.87 |
2.36 |
-8.99 |
-0.64 |
0 |