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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
432999 |
135173136 |
2 |
NH14C21 |
AB14C21 |
197.7 |
2.72 |
-8.13 |
-0.46 |
0 |
|
|
433000 |
135173137 |
1 |
O3C16H18 |
A3B16C18 |
-72.11 |
2.93 |
-8.23 |
0.18 |
0 |
|
|
433001 |
135173138 |
1 |
NSO2C8H11 |
ABC2D8E11 |
-61.06 |
4.04 |
-8.01 |
-0.07 |
0 |
|
|
433002 |
135173139 |
1 |
NOPH28C36 |
ABCD28E36 |
157.21 |
4.78 |
-8.11 |
-0.62 |
0 |
|
|
433003 |
135173140 |
1 |
N4H30C39 |
A4B30C39 |
210.72 |
2.23 |
-7.98 |
-1.19 |
0 |
|
|
433004 |
135173141 |
1 |
FO2N9H30C31 |
AB2C9D30E31 |
104.02 |
8.77 |
-8.83 |
-2.35 |
0 |
|
|
433005 |
135173142 |
1 |
NH29C42 |
AB29C42 |
184.26 |
2.98 |
-8.91 |
-0.57 |
0 |
|
|
433006 |
135173143 |
1 |
N4H26C39 |
A4B26C39 |
222.74 |
2.25 |
-8.96 |
-1.14 |
0 |
|
|
433007 |
135173144 |
2 |
NC5H9 |
AB5C9 |
-12.36 |
2.67 |
-9.18 |
1.28 |
0 |
|
|
433008 |
135173145 |
1 |
NOH23C36 |
ABC23D36 |
136.67 |
3.27 |
-8.93 |
-0.72 |
0 |
|
|
433009 |
135173146 |
1 |
FO2N9C35H36 |
AB2C9D35E36 |
64.25 |
1.11 |
-8.71 |
-2.39 |
0 |
|
|
433010 |
135173147 |
1 |
SO3N6C19H22 |
AB3C6D19E22 |
-30.47 |
4.89 |
-8.62 |
-0.62 |
0 |
|
|
433011 |
135173148 |
2 |
OC9H14 |
AB9C14 |
-124.98 |
2.27 |
-9.2 |
0.31 |
0 |
|
|
433012 |
135173149 |
1 |
FON10H25C26 |
ABC10D25E26 |
123.14 |
7.44 |
-8.61 |
-2.61 |
0 |
|
|
433013 |
135173150 |
1 |
O4C27H40 |
A4B27C40 |
-166.38 |
3.67 |
-8.47 |
0.22 |
0 |
|
|
433014 |
135173151 |
1 |
OSN2C9H16 |
ABC2D9E16 |
-3.75 |
5.42 |
-8.91 |
0.11 |
0 |
|
|
433015 |
135173152 |
1 |
N3O5C30H57 |
A3B5C30D57 |
-215.87 |
4.93 |
-8.83 |
0.7 |
0 |
|
|
433016 |
135173153 |
1 |
N5O5C33H65 |
A5B5C33D65 |
-220.55 |
5.9 |
-9.04 |
1.34 |
0 |
|
|
433017 |
135173154 |
1 |
SO3N5C20H23 |
AB3C5D20E23 |
-40.56 |
6.58 |
-8.87 |
-0.79 |
0 |
|
|
433018 |
135173155 |
1 |
NPO4C8H12 |
ABC4D8E12 |
-195.64 |
3.56 |
-9.09 |
-0.33 |
0 |
|
|
433019 |
135173156 |
2 |
O2H6C7 |
A2B6C7 |
-125.97 |
2.99 |
-9.02 |
-0.85 |
0 |
|
|
433020 |
135173157 |
1 |
FO2N9C34H36 |
AB2C9D34E36 |
58.07 |
7.88 |
-8.88 |
-2.51 |
0 |
|
|
433021 |
135173158 |
1 |
NSO2C11H15 |
ABC2D11E15 |
-82.5 |
1.61 |
-8.64 |
-0.25 |
0 |
|
|
433022 |
135173159 |
1 |
O3C14H28 |
A3B14C28 |
-202.09 |
3.75 |
-10.23 |
1.62 |
0 |
|
|
433023 |
135173160 |
1 |
NC13H25 |
AB13C25 |
-17.85 |
2.51 |
-9.33 |
1.08 |
0 |
|
|
433024 |
135173161 |
1 |
NO2C9H11 |
AB2C9D11 |
-47.46 |
3.75 |
-8.09 |
0.11 |
0 |
|
|
433025 |
135173162 |
1 |
O4C17H20 |
A4B17C20 |
-118.77 |
0.79 |
-8.2 |
0.37 |
0 |
|
|
433026 |
135173163 |
1 |
FSN8H15C21 |
ABC8D15E21 |
194.53 |
5.91 |
-8.69 |
-2.17 |
0 |
|
|
433027 |
135173164 |
1 |
SN3O4C30H33 |
AB3C4D30E33 |
-97.55 |
3.49 |
-8.87 |
-0.98 |
0 |
|
|
433028 |
135173165 |
1 |
ON4H20C22 |
AB4C20D22 |
67.42 |
3.65 |
-8.36 |
-0.39 |
0 |
|
|
433029 |
135173166 |
1 |
IO2F3N3H7C12 |
AB2C3D3E7F12 |
-69.65 |
3.48 |
-9.86 |
-1.71 |
0 |
|
|
433030 |
135173167 |
1 |
BrClNC11H13 |
ABCD11E13 |
8.48 |
4.32 |
-9.41 |
-0.57 |
0 |
|
|
433031 |
135173168 |
1 |
NCl2O6C59H77 |
AB2C6D59E77 |
-110.99 |
2.66 |
-8.58 |
-0.68 |
0 |
|
|
433033 |
135173170 |
1 |
NCl2O6C58H77 |
AB2C6D58E77 |
-155.55 |
2.71 |
-8.46 |
-0.48 |
0 |
|
|
433034 |
135173171 |
1 |
O3C12H20 |
A3B12C20 |
-165.26 |
5.87 |
-11.02 |
-0.21 |
0 |
|
|
433035 |
135173172 |
1 |
NO4C14H19 |
AB4C14D19 |
-174.16 |
0.54 |
-8.59 |
0.06 |
0 |
|
|
433036 |
135173173 |
1 |
ON6C29H32 |
AB6C29D32 |
134.04 |
6.38 |
-8.17 |
-0.31 |
0 |
|
|
433037 |
135173174 |
1 |
ON6C29H34 |
AB6C29D34 |
57.94 |
4.46 |
-8.33 |
-0.43 |
0 |
|
|
433038 |
135173175 |
2 |
NC6H8 |
AB6C8 |
18.65 |
3.2 |
-8.71 |
0.66 |
0 |
|
|
433039 |
135173176 |
1 |
SN2O2C10H14 |
AB2C2D10E14 |
-61.61 |
7.69 |
-9.42 |
-0.35 |
0 |
|
|
433040 |
135173177 |
1 |
N2O2C11H14 |
A2B2C11D14 |
-68.38 |
3.14 |
-9.31 |
-0.21 |
0 |
|
|
433041 |
135173178 |
1 |
NCl2O6C58H75 |
AB2C6D58E75 |
-151.59 |
2.92 |
-8.45 |
-0.46 |
0 |
|
|
433042 |
135173179 |
1 |
O3N4C24H30 |
A3B4C24D30 |
-66.74 |
1.52 |
-8.79 |
-0.56 |
0 |
|
|
433043 |
135173180 |
1 |
O4C19H34 |
A4B19C34 |
-241.44 |
2.41 |
-10.07 |
0.62 |
0 |
|
|
433044 |
135173181 |
2 |
O2C8H15 |
A2B8C15 |
-234.32 |
3.67 |
-10.42 |
0.64 |
0 |
|
|
433045 |
135173182 |
1 |
O4C17H30 |
A4B17C30 |
-220.17 |
2.42 |
-10.07 |
0.63 |
0 |
|
|
433046 |
135173183 |
1 |
OF3N3C14H14 |
AB3C3D14E14 |
-102.03 |
5.04 |
-8.96 |
-1.25 |
0 |
|
|
433047 |
135173184 |
1 |
ON3C28H35 |
AB3C28D35 |
108.47 |
4.0 |
-8.09 |
-0.05 |
0 |
|
|
433048 |
135173185 |
2 |
NC5H6 |
AB5C6 |
36.86 |
3.24 |
-9.22 |
0.43 |
0 |
|
|
433049 |
135173186 |
1 |
BrNH14C17 |
ABC14D17 |
72.74 |
3.42 |
-9.29 |
-0.7 |
0 |
|
|
433050 |
135173187 |
1 |
N2H30C41 |
A2B30C41 |
194.67 |
2.09 |
-8.67 |
-0.67 |
0 |
|
|
433051 |
135173188 |
1 |
O2N7C19H21 |
A2B7C19D21 |
47.14 |
2.63 |
-8.37 |
-0.97 |
0 |
|
|
433052 |
135173189 |
1 |
NC13H25 |
AB13C25 |
-49.45 |
1.88 |
-9.17 |
3.4 |
0 |
|
|
433053 |
135173190 |
1 |
N3H31C40 |
A3B31C40 |
258.99 |
2.07 |
-8.61 |
-0.7 |
0 |
|
|
433054 |
135173191 |
1 |
ClNH16C24 |
ABC16D24 |
105.08 |
2.28 |
-9.01 |
-0.78 |
0 |
|
|
433055 |
135173192 |
1 |
NOH25C36 |
ABC25D36 |
131.37 |
2.1 |
-8.91 |
-0.75 |
0 |
|
|
433056 |
135173193 |
1 |
N4H30C45 |
A4B30C45 |
245.1 |
2.27 |
-8.93 |
-1.12 |
0 |
|
|
433057 |
135173194 |
2 |
N2H17C27 |
A2B17C27 |
280.37 |
4.3 |
-8.26 |
-1.21 |
0 |
|
|
433058 |
135173195 |
1 |
N5O6C34H47 |
A5B6C34D47 |
-273.45 |
3.51 |
-8.57 |
-0.16 |
0 |
|
|
433059 |
135173196 |
1 |
OC13H16 |
AB13C16 |
-24.48 |
2.29 |
-8.63 |
0.27 |
0 |
|
|
433060 |
135173197 |
1 |
N5O6C34H47 |
A5B6C34D47 |
-249.89 |
11.79 |
-8.56 |
-0.27 |
0 |
|
|
433061 |
135173198 |
1 |
OC16H24 |
AB16C24 |
-50.13 |
1.51 |
-9.2 |
0.36 |
0 |
|
|
433062 |
135173199 |
1 |
OC16H22 |
AB16C22 |
-56.04 |
4.6 |
-9.46 |
-0.28 |
0 |
|
|
433063 |
135173200 |
1 |
ClON3C8H8 |
ABC3D8E8 |
6.42 |
1.64 |
-9.23 |
-1.22 |
0 |
|
|
433064 |
135173201 |
2 |
O2C10H15 |
A2B10C15 |
-174.3 |
1.92 |
-8.97 |
0.49 |
0 |
|
|
433065 |
135173202 |
1 |
O2N5C21H25 |
A2B5C21D25 |
-13.94 |
2.81 |
-8.56 |
-0.51 |
0 |
|
|
433066 |
135173203 |
1 |
NSO5C15H21 |
ABC5D15E21 |
-215.89 |
7.16 |
-9.59 |
-0.42 |
0 |
|
|
433067 |
135173204 |
1 |
F2N2O2C11H12 |
A2B2C2D11E12 |
-145.12 |
3.37 |
-9.33 |
-0.14 |
0 |
|
|
433068 |
135173205 |
1 |
N3O3C15H19 |
A3B3C15D19 |
-95.55 |
3.56 |
-9.35 |
-0.04 |
0 |
|
|
433069 |
135173206 |
1 |
N3O3C15H19 |
A3B3C15D19 |
-98.65 |
3.58 |
-9.12 |
-0.02 |
0 |
|
|
433070 |
135173207 |
1 |
ON2C12H16 |
AB2C12D16 |
-12.19 |
2.04 |
-8.64 |
0.45 |
0 |
|
|
433071 |
135173208 |
1 |
O2C19H22 |
A2B19C22 |
-54.08 |
1.75 |
-8.52 |
-0.36 |
0 |
|
|
433072 |
135173209 |
1 |
O3N6C26H28 |
A3B6C26D28 |
-9.76 |
5.59 |
-8.58 |
-0.65 |
0 |
|
|
433073 |
135173210 |
1 |
O12C29H48 |
A12B29C48 |
-624.15 |
4.1 |
-10.23 |
0.42 |
0 |
|
|
433074 |
135173211 |
2 |
ON2C13H15 |
AB2C13D15 |
14.83 |
2.48 |
-8.56 |
-0.94 |
0 |
|
|
433075 |
135173212 |
1 |
NC14H25 |
AB14C25 |
-2.5 |
2.05 |
-9.27 |
1.36 |
0 |
|
|
433076 |
135173213 |
1 |
O2N4C19H22 |
A2B4C19D22 |
-35.36 |
0.66 |
-8.89 |
-0.68 |
0 |
|
|
433077 |
135173214 |
1 |
PO4N7C37H44 |
AB4C7D37E44 |
-110.85 |
3.91 |
-8.05 |
-0.61 |
0 |
|
|
433078 |
135173215 |
2 |
O9C30H43 |
A9B30C43 |
-632.74 |
4.0 |
-9.87 |
0.32 |
0 |
|
|
433079 |
135173216 |
1 |
O3N5C22H25 |
A3B5C22D25 |
-51.35 |
6.87 |
-8.64 |
-0.62 |
0 |
|
|
433080 |
135173217 |
2 |
NO8C21H36 |
AB8C21D36 |
-553.25 |
7.7 |
-8.72 |
-0.07 |
0 |
|
|
433081 |
135173218 |
2 |
ON2C10H11 |
AB2C10D11 |
-12.83 |
7.07 |
-9.03 |
-0.86 |
0 |
|
|
433082 |
135173219 |
1 |
O2N4C19H22 |
A2B4C19D22 |
-20.83 |
2.57 |
-9.16 |
-0.82 |
0 |
|
|
433083 |
135173220 |
1 |
FO2N5C21H24 |
AB2C5D21E24 |
-63.39 |
4.98 |
-8.67 |
-0.63 |
0 |
|
|
433084 |
135173221 |
1 |
O2N6C21H26 |
A2B6C21D26 |
3.47 |
4.29 |
-8.49 |
-0.64 |
0 |
|
|
433085 |
135173222 |
2 |
N2O2C14H15 |
A2B2C14D15 |
-64.6 |
6.49 |
-9.19 |
-0.99 |
0 |
|
|
433086 |
135173223 |
1 |
O2N4C21H24 |
A2B4C21D24 |
-24.41 |
4.9 |
-9.1 |
-0.69 |
0 |
|
|
433087 |
135173224 |
1 |
O2N6C23H24 |
A2B6C23D24 |
43.97 |
3.31 |
-9.18 |
-1.14 |
0 |
|
|
433088 |
135173225 |
2 |
NH14C21 |
AB14C21 |
197.68 |
1.74 |
-8.21 |
-0.6 |
0 |
|
|
433089 |
135173226 |
1 |
N2H32C43 |
A2B32C43 |
204.08 |
3.24 |
-8.04 |
-0.44 |
0 |
|
|
433090 |
135173227 |
1 |
NO8C25H37 |
AB8C25D37 |
-386.81 |
4.27 |
-9.65 |
0.05 |
0 |
|
|
433091 |
135173228 |
1 |
NS2O5C11H23 |
AB2C5D11E23 |
-239.63 |
2.75 |
-9.54 |
0.16 |
0 |
|
|
433092 |
135173229 |
1 |
NO3C22H41 |
AB3C22D41 |
-198.46 |
7.07 |
-9.08 |
-0.13 |
0 |
|
|
433093 |
135173230 |
1 |
O3N6C31H60 |
A3B6C31D60 |
-152.7 |
2.37 |
-8.49 |
0.44 |
0 |
|
|
433094 |
135173231 |
1 |
ON3C23H47 |
AB3C23D47 |
-97.55 |
7.2 |
-8.22 |
0.56 |
0 |
|
|
433095 |
135173232 |
1 |
O2N3C9H17 |
A2B3C9D17 |
-93.26 |
4.96 |
-8.86 |
0.64 |
0 |
|
|
433096 |
135173233 |
1 |
ClNH18C24 |
ABC18D24 |
102.99 |
3.51 |
-8.93 |
-0.61 |
0 |
|
|
433097 |
135173234 |
1 |
PO4N7C37H42 |
AB4C7D37E42 |
-94.75 |
4.49 |
-8.31 |
-0.75 |
0 |
|
|
433098 |
135173235 |
1 |
ClNH18C24 |
ABC18D24 |
123.24 |
2.23 |
-9.06 |
-0.69 |
0 |
|
|
433099 |
135173236 |
5 |
NH7C11 |
AB7C11 |
297.5 |
2.18 |
-8.45 |
-1.14 |
0 |