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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
410055 |
135082844 |
2 |
N2O4H21C30 |
A2B4C21D30 |
152.83 |
15.48 |
-8.32 |
-2.02 |
0 |
|
|
410056 |
135082845 |
1 |
NOH7C13 |
ABC7D13 |
75.51 |
5.28 |
-9.01 |
-1.82 |
0 |
|
|
410057 |
135082846 |
1 |
NH9C14 |
AB9C14 |
147.83 |
0.36 |
-8.24 |
-1.14 |
0 |
|
|
410059 |
135082848 |
1 |
AlO3C13H20 |
AB3C13D20 |
-115.5 |
2.46 |
0.0 |
0.0 |
-1 |
|
|
410060 |
135082849 |
1 |
BPdP2F4H37C46 |
ABC2D4E37F46 |
-92.07 |
17.16 |
-7.12 |
-2.51 |
0 |
|
|
410061 |
135082850 |
1 |
H9C10 |
A9B10 |
79.14 |
0.22 |
0.0 |
0.0 |
0 |
|
|
410063 |
135082852 |
1 |
Fe2O5H7C13 |
A2B5C7D13 |
301.44 |
1.55 |
0.0 |
0.0 |
0 |
|
|
410064 |
135082853 |
12 |
C2H3 |
A2B3 |
8.93 |
0.07 |
-8.45 |
0.55 |
0 |
|
|
410066 |
135082855 |
2 |
C11H18 |
A11B18 |
-49.9 |
0.13 |
-8.85 |
0.55 |
0 |
|
|
410067 |
135082856 |
2 |
NC8H9 |
AB8C9 |
106.69 |
2.03 |
-8.01 |
-1.28 |
0 |
|
|
410068 |
135082857 |
2 |
H10C11 |
A10B11 |
86.9 |
2.63 |
-8.09 |
-0.55 |
0 |
|
|
410069 |
135082858 |
1 |
ClC16H29 |
AB16C29 |
-22.58 |
1.64 |
-9.81 |
1.25 |
0 |
|
|
410070 |
135082859 |
2 |
NO4C18H24 |
AB4C18D24 |
-298.53 |
6.42 |
-8.87 |
-1.67 |
0 |
|
|
410080 |
135082869 |
1 |
BLiSi2C8H24 |
ABC2D8E24 |
-39.81 |
4.05 |
-6.81 |
0.96 |
-1 |
|
|
410081 |
135082870 |
1 |
BSi2C8H24 |
AB2C8D24 |
-21.57 |
1.23 |
0.0 |
0.0 |
0 |
|
|
410082 |
135082871 |
1 |
NPH8C11 |
ABC8D11 |
65.19 |
1.88 |
-8.84 |
-0.94 |
0 |
|
|
410083 |
135082872 |
1 |
N3C13H13 |
A3B13C13 |
78.79 |
6.65 |
-9.81 |
-0.94 |
0 |
|
|
410085 |
135082874 |
1 |
N3O4C19H23 |
A3B4C19D23 |
-99.45 |
5.42 |
-8.45 |
-1.4 |
0 |
|
|
410086 |
135082875 |
1 |
N3O5C18H23 |
A3B5C18D23 |
-154.97 |
5.27 |
-8.55 |
-1.39 |
0 |
|
|
410087 |
135082876 |
1 |
FNOC18H18 |
ABCD18E18 |
-24.31 |
3.02 |
-8.81 |
-0.71 |
0 |
|
|
410088 |
135082877 |
1 |
NSO5C14H15 |
ABC5D14E15 |
-173.16 |
7.14 |
-9.01 |
-0.93 |
-1 |
|
|
410090 |
135082879 |
1 |
ClSeC12H21 |
ABC12D21 |
-12.6 |
12.71 |
-8.41 |
-1.82 |
0 |
|
|
410091 |
135082880 |
1 |
O2Se3H12C18 |
A2B3C12D18 |
14.12 |
4.87 |
-7.84 |
-1.06 |
0 |
|
|
410092 |
135082881 |
2 |
SeO4C6H6 |
AB4C6D6 |
-281.37 |
2.22 |
-9.19 |
-1.26 |
0 |
|
|
410093 |
135082882 |
1 |
LiO2C9H11 |
AB2C9D11 |
-61.61 |
6.39 |
-8.06 |
1.35 |
0 |
|
|
410098 |
135082887 |
1 |
OS2N3H23C33 |
AB2C3D23E33 |
197.19 |
5.0 |
-8.05 |
-1.86 |
0 |
|
|
410099 |
135082888 |
1 |
MgCl2N2O2H16C19 |
AB2C2D2E16F19 |
-82.69 |
4.93 |
-8.53 |
-0.8 |
0 |
|
|
410100 |
135082889 |
1 |
ClN2O2H17C19 |
AB2C2D17E19 |
-6.32 |
5.09 |
-8.53 |
-0.39 |
0 |
|
|
410101 |
135082890 |
1 |
O9C28H28 |
A9B28C28 |
-298.41 |
8.29 |
-8.08 |
-1.27 |
0 |
|
|
410102 |
135082891 |
4 |
O2C5H5 |
A2B5C5 |
-302.97 |
4.65 |
-9.37 |
-1.08 |
0 |
|
|
410103 |
135082892 |
1 |
O17C37H48 |
A17B37C48 |
-697.5 |
2.35 |
-9.67 |
-1.55 |
0 |
|
|
410106 |
135082895 |
1 |
O11C12H22 |
A11B12C22 |
-498.36 |
2.26 |
-10.69 |
0.18 |
0 |
|
|
410107 |
135082896 |
1 |
BrOSC11H11 |
ABCD11E11 |
14.05 |
6.5 |
-8.35 |
-1.45 |
1 |
|
|
410108 |
135082897 |
1 |
OSC11H11 |
ABC11D11 |
-0.58 |
2.61 |
0.0 |
0.0 |
0 |
|
|
410109 |
135082898 |
1 |
ClSO5H13C16 |
ABC5D13E16 |
64.17 |
16.17 |
-9.46 |
-2.65 |
1 |
|
|
410110 |
135082899 |
1 |
OSH13C16 |
ABC13D16 |
31.68 |
2.46 |
0.0 |
0.0 |
0 |
|
|
410111 |
135082900 |
1 |
NH3S3C4 |
AB3C3D4 |
40.23 |
0.65 |
-8.87 |
-2.08 |
0 |
|
|
410112 |
135082901 |
1 |
TeN2O2H12C14 |
AB2C2D12E14 |
3.33 |
2.84 |
-8.32 |
-1.55 |
0 |
|
|
410113 |
135082902 |
1 |
ClSH7C9 |
ABC7D9 |
60.74 |
3.18 |
-8.8 |
-0.57 |
0 |
|
|
410114 |
135082903 |
1 |
ClPC15H16 |
ABC15D16 |
11.3 |
4.88 |
-9.19 |
-0.14 |
0 |
|
|
410115 |
135082904 |
1 |
ClNOPH27C32 |
ABCDE27F32 |
83.73 |
6.18 |
-8.67 |
-0.52 |
0 |
|
|
410116 |
135082905 |
1 |
BrClNOPC26H38 |
ABCDEF26G38 |
-61.82 |
8.29 |
-6.99 |
-0.49 |
0 |
|
|
410117 |
135082906 |
1 |
BrPC19H20 |
ABC19D20 |
42.03 |
6.22 |
-8.5 |
-0.05 |
0 |
|
|
410118 |
135082907 |
1 |
BrClNOPH26C32 |
ABCDEF26G32 |
91.09 |
3.09 |
-8.64 |
-0.38 |
0 |
|
|
410119 |
135082908 |
1 |
NOPCl2C26H38 |
ABCD2E26F38 |
-76.62 |
5.08 |
-8.5 |
-0.41 |
0 |
|
|
410120 |
135082909 |
1 |
NOPCl2H26C32 |
ABCD2E26F32 |
73.03 |
6.05 |
-8.84 |
-0.53 |
0 |
|
|
410121 |
135082910 |
1 |
NPSF3O3H25C32 |
ABCD3E3F25G32 |
-148.25 |
13.5 |
-9.63 |
-1.17 |
0 |
|
|
410122 |
135082911 |
1 |
PO3F6H19C23 |
AB3C6D19E23 |
-399.08 |
11.89 |
-9.91 |
-0.74 |
0 |
|
|
410123 |
135082912 |
1 |
BrPO2H22C27 |
ABC2D22E27 |
17.85 |
3.11 |
-9.02 |
-0.54 |
0 |
|
|
410124 |
135082913 |
1 |
PB2F8H23C26 |
AB2C8D23E26 |
-486.77 |
22.92 |
-7.96 |
-3.08 |
0 |
|
|
410125 |
135082914 |
1 |
BiH13C14 |
AB13C14 |
108.15 |
1.2 |
-8.68 |
0.42 |
0 |
|
|
410126 |
135082915 |
1 |
BiC9H11 |
AB9C11 |
77.19 |
1.22 |
-8.64 |
0.56 |
-4 |
|
|
410127 |
135082916 |
2 |
AuClC8H18 |
ABC8D18 |
-16.88 |
10.52 |
-8.86 |
-0.88 |
0 |
|
|
410128 |
135082917 |
1 |
AuClP2C22H26 |
ABC2D22E26 |
95.63 |
6.6 |
-8.24 |
-0.99 |
0 |
|
|
410129 |
135082918 |
2 |
AuPC6H14 |
ABC6D14 |
62.24 |
11.48 |
-7.71 |
0.79 |
-1 |
|
|
410130 |
135082919 |
1 |
PC6H14 |
AB6C14 |
19.39 |
3.87 |
0.0 |
0.0 |
0 |
|
|
410131 |
135082920 |
1 |
AuClP2Si2C14H38 |
ABC2D2E14F38 |
-186.96 |
10.87 |
-8.2 |
-0.98 |
0 |
|
|
410133 |
135082922 |
1 |
OPAu2S2C18H21 |
ABC2D2E18F21 |
89.36 |
12.35 |
-8.08 |
-1.29 |
0 |
|
|
410134 |
135082924 |
1 |
FeP5C13H21 |
AB5C13D21 |
61.56 |
6.64 |
-8.49 |
-1.71 |
0 |
|
|
410135 |
135082925 |
1 |
Cr2P5C18H26 |
A2B5C18D26 |
130.2 |
6.03 |
0.0 |
0.0 |
0 |
|
|
410136 |
135082926 |
1 |
NO2C8H9 |
AB2C8D9 |
-59.85 |
5.11 |
-9.09 |
-0.39 |
-2 |
|
|
410137 |
135082928 |
2 |
MnF2H2O5C8 |
AB2C2D5E8 |
-209.77 |
4.94 |
-7.82 |
-1.68 |
0 |
|
|
410138 |
135082929 |
2 |
SeH3C4 |
AB3C4 |
63.91 |
1.52 |
-7.76 |
-1.82 |
0 |
|
|
410139 |
135082930 |
2 |
SeH3C4 |
AB3C4 |
45.64 |
1.51 |
-8.08 |
-1.78 |
0 |
|
|
410140 |
135082931 |
1 |
O3C8H10 |
A3B8C10 |
-100.43 |
3.97 |
-10.15 |
-0.57 |
0 |
|
|
410141 |
135082932 |
1 |
ON2C11H12 |
AB2C11D12 |
23.98 |
5.58 |
-8.92 |
-0.98 |
1 |
|
|
410142 |
135082933 |
1 |
ON2C11H13 |
AB2C11D13 |
11.77 |
4.42 |
0.0 |
0.0 |
0 |
|
|
410143 |
135082934 |
1 |
BrNO3H12C17 |
ABC3D12E17 |
-33.17 |
2.19 |
-8.53 |
-1.03 |
0 |
|
|
410144 |
135082935 |
1 |
N2O3H20C22 |
A2B3C20D22 |
-20.93 |
8.03 |
-8.43 |
-1.73 |
1 |
|
|
410145 |
135082936 |
1 |
N2O3H21C22 |
A2B3C21D22 |
-34.36 |
2.92 |
0.0 |
0.0 |
0 |
|
|
410146 |
135082937 |
2 |
NOH3C4 |
ABC3D4 |
5.55 |
2.01 |
-9.57 |
-1.56 |
1 |
|
|
410147 |
135082938 |
1 |
N2O2H7C8 |
A2B2C7D8 |
-2.27 |
6.92 |
0.0 |
0.0 |
0 |
|
|
410148 |
135082939 |
1 |
NO10C27H29 |
AB10C27D29 |
-392.73 |
2.44 |
-8.83 |
-1.91 |
0 |
|
|
410150 |
135082941 |
1 |
O7H10C20 |
A7B10C20 |
-117.58 |
1.91 |
-9.72 |
-1.71 |
0 |
|
|
410151 |
135082942 |
1 |
BC28H47 |
AB28C47 |
-39.37 |
0.36 |
-9.13 |
0.46 |
0 |
|
|
410152 |
135082943 |
1 |
BSi2O6C56H69 |
AB2C6D56E69 |
-319.09 |
5.1 |
-8.91 |
-0.31 |
0 |
|
|
410153 |
135082944 |
1 |
BO4C30H45 |
AB4C30D45 |
-267.36 |
2.09 |
-9.27 |
0.36 |
0 |
|
|
410154 |
135082945 |
2 |
BO2H12C14 |
AB2C12D14 |
-164.36 |
0.16 |
-9.55 |
0.04 |
0 |
|
|
410155 |
135082946 |
1 |
SN2O4C12H12 |
AB2C4D12E12 |
-107.77 |
5.43 |
-10.3 |
-0.76 |
0 |
|
|
410156 |
135082947 |
1 |
PN2O5C7H13 |
AB2C5D7E13 |
-274.92 |
1.97 |
-10.54 |
-0.31 |
0 |
|
|
410157 |
135082948 |
1 |
OSC7H14 |
ABC7D14 |
-36.41 |
4.17 |
-8.74 |
-0.33 |
0 |
|
|
410158 |
135082949 |
1 |
NO2C14H23 |
AB2C14D23 |
-39.14 |
3.48 |
-9.56 |
1.06 |
0 |
|
|
410160 |
135082951 |
1 |
PN2H5C6 |
AB2C5D6 |
69.45 |
2.01 |
-8.34 |
-0.75 |
0 |
|
|
410161 |
135082952 |
1 |
OC11H20 |
AB11C20 |
-83.68 |
3.84 |
-9.71 |
0.8 |
0 |
|
|
410162 |
135082953 |
1 |
OC12H22 |
AB12C22 |
-89.5 |
2.98 |
-9.45 |
0.94 |
0 |
|
|
410163 |
135082954 |
1 |
BNC7H14 |
ABC7D14 |
-35.91 |
2.62 |
-8.6 |
1.84 |
0 |
|
|
410164 |
135082955 |
1 |
BNC9H18 |
ABC9D18 |
-49.9 |
2.43 |
-8.61 |
1.71 |
0 |
|
|
410165 |
135082956 |
1 |
BC10H19 |
AB10C19 |
-33.21 |
0.46 |
-9.31 |
0.6 |
0 |
|
|
410167 |
135082958 |
1 |
BNPSi2C22H33 |
ABCD2E22F33 |
-161.09 |
4.28 |
-7.62 |
-0.11 |
0 |
|
|
410168 |
135082959 |
1 |
B2Cl2N2Si3C14H30 |
A2B2C2D3E14F30 |
-231.98 |
3.58 |
-8.24 |
0.11 |
0 |
|
|
410169 |
135082960 |
1 |
BC24H41 |
AB24C41 |
-42.28 |
0.84 |
-9.25 |
0.56 |
0 |
|
|
410170 |
135082961 |
1 |
BC25H41 |
AB25C41 |
-12.22 |
0.71 |
-9.21 |
0.42 |
0 |
|
|
410171 |
135082962 |
1 |
BC25H41 |
AB25C41 |
-8.61 |
0.7 |
-9.17 |
0.63 |
0 |
|
|
410172 |
135082963 |
1 |
BC24H41 |
AB24C41 |
-35.72 |
1.06 |
-9.14 |
0.52 |
1 |
|
|
410173 |
135082964 |
1 |
KNC11H14 |
ABC11D14 |
21.21 |
6.27 |
-5.89 |
0.3 |
0 |
|
|
410174 |
135082965 |
1 |
NC11H14 |
AB11C14 |
46.21 |
0.96 |
0.0 |
0.0 |
0 |
|
|
410175 |
135082966 |
1 |
KC10H13 |
AB10C13 |
29.86 |
9.57 |
-6.0 |
0.2 |
0 |
|
|
410176 |
135082967 |
2 |
MnH3O3C7 |
AB3C3D7 |
21.25 |
1.79 |
-7.69 |
-2.1 |
0 |
|
|
410177 |
135082968 |
1 |
Mn2O6H8C15 |
A2B6C8D15 |
-30.59 |
2.13 |
-7.44 |
-1.92 |
0 |
|
|
410178 |
135082969 |
2 |
MnO3H5C8 |
AB3C5D8 |
143.52 |
0.51 |
-6.55 |
-1.13 |
0 |