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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
128084 |
51030458 |
1 |
SO2N6C25H26 |
AB2C6D25E26 |
30.97 |
7.84 |
-8.85 |
-0.69 |
0 |
|
|
128085 |
51030459 |
2 |
ON3H9C12 |
AB3C9D12 |
109.91 |
5.92 |
-9.19 |
-1.41 |
0 |
|
|
128086 |
51030460 |
1 |
O2S2N6H18C23 |
A2B2C6D18E23 |
83.93 |
8.57 |
-9.03 |
-1.66 |
0 |
|
|
128087 |
51030562 |
1 |
O2S2F3N5H22C26 |
A2B2C3D5E22F26 |
-107.3 |
15.77 |
-8.65 |
-1.17 |
0 |
|
|
128088 |
51030563 |
1 |
SO2F3N6H19C22 |
AB2C3D6E19F22 |
-138.07 |
9.86 |
-9.22 |
-1.33 |
0 |
|
|
128089 |
51030594 |
2 |
ON2C12H13 |
AB2C12D13 |
15.19 |
5.66 |
-8.82 |
-0.7 |
0 |
|
|
128090 |
51030757 |
2 |
NC12H15 |
AB12C15 |
31.35 |
2.46 |
-7.91 |
0.18 |
0 |
|
|
128091 |
51030758 |
1 |
FN3C19H26 |
AB3C19D26 |
-30.44 |
1.58 |
-8.27 |
-0.02 |
0 |
|
|
128092 |
51030839 |
1 |
O3N5C17H19 |
A3B5C17D19 |
26.89 |
4.38 |
-9.69 |
-1.74 |
0 |
|
|
128093 |
51030863 |
1 |
N2O2C23H36 |
A2B2C23D36 |
-91.02 |
4.5 |
-8.99 |
0.75 |
0 |
|
|
128094 |
51030864 |
1 |
N2O2C21H34 |
A2B2C21D34 |
-83.23 |
3.82 |
-8.8 |
0.38 |
0 |
|
|
128095 |
51030891 |
1 |
PN2O9C46H91 |
AB2C9D46E91 |
-602.09 |
13.12 |
-9.66 |
-0.07 |
0 |
|
|
128096 |
51031064 |
1 |
F2O2N4C19H20 |
A2B2C4D19E20 |
-96.73 |
3.43 |
-9.84 |
-0.59 |
0 |
|
|
128097 |
51031094 |
1 |
NO3C14H19 |
AB3C14D19 |
-132.75 |
3.91 |
-9.67 |
-0.06 |
0 |
|
|
128098 |
51031154 |
1 |
O8C23H32 |
A8B23C32 |
-349.34 |
6.37 |
-9.44 |
-0.47 |
0 |
|
|
128099 |
51031162 |
1 |
F3N3O3C31H32 |
A3B3C3D31E32 |
-220.23 |
7.04 |
-9.16 |
-0.78 |
0 |
|
|
128100 |
51031170 |
1 |
FSCl2N3O4H22C25 |
ABC2D3E4F22G25 |
-107.69 |
3.52 |
-9.91 |
-1.12 |
0 |
|
|
128101 |
51031280 |
1 |
OH16C17 |
AB16C17 |
91.33 |
3.89 |
-9.5 |
-0.65 |
0 |
|
|
128102 |
51031281 |
1 |
OH16C17 |
AB16C17 |
89.65 |
4.9 |
-9.63 |
-0.87 |
0 |
|
|
128103 |
51031282 |
1 |
OH12C19 |
AB12C19 |
139.6 |
4.02 |
-9.17 |
-0.97 |
0 |
|
|
128104 |
51031283 |
1 |
OH14C20 |
AB14C20 |
128.62 |
2.7 |
-8.95 |
-1.1 |
0 |
|
|
128105 |
51031316 |
1 |
N2O4C17H24 |
A2B4C17D24 |
-89.11 |
7.62 |
-9.4 |
-1.25 |
0 |
|
|
128106 |
51031340 |
1 |
O2F3N3C28H30 |
A2B3C3D28E30 |
-153.01 |
5.99 |
-9.08 |
-0.2 |
0 |
|
|
128107 |
51031505 |
1 |
NCl2O5H17C21 |
AB2C5D17E21 |
-185.69 |
2.67 |
-9.09 |
-1.16 |
0 |
|
|
128108 |
51031630 |
1 |
SO2H12C14 |
AB2C12D14 |
-30.0 |
6.78 |
-9.35 |
-1.14 |
0 |
|
|
128109 |
51031698 |
2 |
NO4C16H19 |
AB4C16D19 |
-304.22 |
3.91 |
-8.7 |
-0.25 |
0 |
|
|
128110 |
51031699 |
2 |
NO4H13C16 |
AB4C13D16 |
-201.68 |
10.99 |
-8.92 |
-1.7 |
0 |
|
|
128112 |
51031773 |
1 |
SN6O9C30H36 |
AB6C9D30E36 |
-272.86 |
5.1 |
-9.05 |
-1.16 |
0 |
|
|
128113 |
51031833 |
1 |
O5C18H22 |
A5B18C22 |
-187.08 |
4.97 |
-8.93 |
-1.01 |
0 |
|
|
128114 |
51031841 |
1 |
NO2H11C16 |
AB2C11D16 |
49.13 |
2.19 |
-9.9 |
-1.14 |
0 |
|
|
128115 |
51031866 |
1 |
NO2C18H19 |
AB2C18D19 |
-38.07 |
6.36 |
-8.89 |
-0.29 |
0 |
|
|
128116 |
51031867 |
1 |
NO2F3H16C18 |
AB2C3D16E18 |
-194.53 |
2.97 |
-9.05 |
-1.06 |
0 |
|
|
128118 |
51031869 |
3 |
NO2C11H13 |
AB2C11D13 |
-173.33 |
4.47 |
-8.47 |
-0.48 |
0 |
|
|
128119 |
51031870 |
1 |
NiN3O6C33H37 |
AB3C6D33E37 |
-91.68 |
3.44 |
-8.38 |
-1.07 |
0 |
|
|
128120 |
51031871 |
3 |
NO2C11H13 |
AB2C11D13 |
-182.06 |
6.61 |
-8.97 |
-0.25 |
0 |
|
|
128121 |
51031872 |
1 |
NiN3O4C28H29 |
AB3C4D28E29 |
-85.45 |
4.51 |
-8.65 |
-0.68 |
0 |
|
|
128122 |
51031873 |
1 |
N3O4C28H31 |
A3B4C28D31 |
-86.26 |
2.61 |
-9.11 |
-0.34 |
0 |
|
|
128123 |
51031874 |
1 |
NiN3O4C32H37 |
AB3C4D32E37 |
37.0 |
17.75 |
-7.8 |
-1.36 |
0 |
|
|
128124 |
51031875 |
1 |
N3O4C32H39 |
A3B4C32D39 |
-118.31 |
1.71 |
-8.77 |
-0.52 |
0 |
|
|
128125 |
51031876 |
1 |
NiN3O4H33C34 |
AB3C4D33E34 |
69.22 |
4.36 |
-8.36 |
-0.65 |
0 |
|
|
128126 |
51031877 |
1 |
N3O4C34H35 |
A3B4C34D35 |
-66.12 |
4.44 |
-9.08 |
-0.74 |
0 |
|
|
128127 |
51031878 |
1 |
SO24N28C107H190 |
AB24C28D107E190 |
-1301.47 |
26.04 |
-9.28 |
-1.03 |
0 |
|
|
128128 |
51031879 |
2 |
SO13N15C56H96 |
AB13C15D56E96 |
-1114.73 |
21.77 |
-8.59 |
-1.31 |
0 |
|
|
128129 |
51031880 |
1 |
SO10N33C51H103 |
AB10C33D51E103 |
-302.22 |
22.85 |
-8.76 |
-1.22 |
0 |
|
|
128130 |
51031942 |
1 |
N2O9C32H34 |
A2B9C32D34 |
-308.01 |
2.19 |
-8.4 |
-0.29 |
0 |
|
|
128131 |
51032265 |
1 |
NO11C39H67 |
AB11C39D67 |
-524.01 |
7.34 |
-8.52 |
0.09 |
0 |
|
|
128132 |
51032266 |
1 |
N17O27C73H111 |
A17B27C73D111 |
-1267.31 |
3.5 |
-8.54 |
-0.14 |
0 |
|
|
128135 |
51032328 |
1 |
NSO6C12H21 |
ABC6D12E21 |
-266.5 |
2.22 |
-9.0 |
0.33 |
0 |
|
|
128136 |
51032357 |
1 |
NO6C15H19 |
AB6C15D19 |
-182.29 |
2.81 |
-10.7 |
-1.7 |
0 |
|
|
128137 |
51032358 |
1 |
NSiO6C18H27 |
ABC6D18E27 |
-241.56 |
5.15 |
-10.04 |
-1.44 |
0 |
|
|
128138 |
51032359 |
1 |
ClNH14C21 |
ABC14D21 |
139.39 |
3.43 |
-8.82 |
-0.93 |
0 |
|
|
128139 |
51032360 |
1 |
ClNO3H20C24 |
ABC3D20E24 |
-46.41 |
4.46 |
-8.94 |
-0.71 |
0 |
|
|
128140 |
51032361 |
1 |
BrO3C16H19 |
AB3C16D19 |
-89.42 |
2.08 |
-9.57 |
-0.29 |
0 |
|
|
128141 |
51032445 |
1 |
ClNO2F3C7H13 |
ABC2D3E7F13 |
-306.55 |
2.46 |
-10.04 |
0.28 |
0 |
|
|
128142 |
51032472 |
1 |
N3O4C34H35 |
A3B4C34D35 |
-61.97 |
7.27 |
-9.0 |
-0.44 |
0 |
|
|
128143 |
51032473 |
1 |
NiN3O4H37C40 |
AB3C4D37E40 |
219.02 |
13.96 |
-7.69 |
-3.8 |
0 |
|
|
128144 |
51032518 |
1 |
NSO3H15C16 |
ABC3D15E16 |
-69.27 |
1.87 |
-8.66 |
-1.25 |
0 |
|
|
128145 |
51032541 |
1 |
N3H11C15 |
A3B11C15 |
104.04 |
3.6 |
-8.38 |
-1.18 |
0 |
|
|
128146 |
51032587 |
1 |
NO2C14H17 |
AB2C14D17 |
-32.38 |
5.69 |
-9.22 |
-0.28 |
0 |
|
|
128147 |
51032591 |
1 |
N3O4C22H25 |
A3B4C22D25 |
-156.45 |
5.51 |
-8.97 |
-0.96 |
0 |
|
|
128148 |
51032603 |
1 |
ClOSC15H15 |
ABCD15E15 |
-7.8 |
2.81 |
-8.53 |
-0.39 |
0 |
|
|
128149 |
51032604 |
1 |
FOSC15H15 |
ABCD15E15 |
-49.65 |
2.77 |
-8.66 |
-0.34 |
0 |
|
|
128150 |
51032818 |
1 |
BrO2C11H11 |
AB2C11D11 |
-38.51 |
3.06 |
-9.84 |
-0.51 |
0 |
|
|
128151 |
51032927 |
1 |
SN4C11H14 |
AB4C11D14 |
62.19 |
4.74 |
-8.6 |
-0.74 |
0 |
|
|
128152 |
51032965 |
1 |
ClO2H15C16 |
AB2C15D16 |
-50.47 |
2.54 |
-9.61 |
-0.55 |
0 |
|
|
128153 |
51032966 |
1 |
FO2H15C16 |
AB2C15D16 |
-85.87 |
3.88 |
-9.33 |
-1.06 |
0 |
|
|
128154 |
51032967 |
1 |
FO2H15C16 |
AB2C15D16 |
-87.61 |
3.3 |
-9.59 |
-0.52 |
0 |
|
|
128155 |
51033013 |
1 |
N2O5H8C9 |
A2B5C8D9 |
-66.6 |
3.04 |
-10.45 |
-1.45 |
0 |
|
|
128156 |
51033030 |
1 |
F3N3O4C27H30 |
A3B3C4D27E30 |
-282.96 |
4.43 |
-8.72 |
-0.51 |
0 |
|
|
128157 |
51033142 |
1 |
NPH20C28 |
ABC20D28 |
122.76 |
6.82 |
-7.81 |
-0.47 |
0 |
|
|
128158 |
51033143 |
1 |
N2O4H20C21 |
A2B4C20D21 |
-99.51 |
2.3 |
-8.48 |
-0.7 |
0 |
|
|
128159 |
51033144 |
2 |
NO2C11H11 |
AB2C11D11 |
-105.81 |
3.7 |
-8.31 |
-0.52 |
0 |
|
|
128160 |
51033145 |
1 |
N2O3C17H20 |
A2B3C17D20 |
-112.39 |
1.9 |
-8.86 |
0.08 |
0 |
|
|
128161 |
51033146 |
1 |
N2O3C18H22 |
A2B3C18D22 |
-117.8 |
1.1 |
-8.78 |
0.16 |
0 |
|
|
128162 |
51033147 |
1 |
N2O3H20C21 |
A2B3C20D21 |
-70.22 |
2.12 |
-8.85 |
-0.54 |
0 |
|
|
128163 |
51033154 |
2 |
SO4C13H15 |
AB4C13D15 |
-309.31 |
4.09 |
-9.03 |
-1.29 |
0 |
|
|
128164 |
51033203 |
1 |
BrN4O4H19C24 |
AB4C4D19E24 |
-62.91 |
3.49 |
-9.17 |
-1.23 |
0 |
|
|
128165 |
51033204 |
1 |
NOCl2C9H13 |
ABC2D9E13 |
-35.95 |
4.94 |
-9.85 |
-0.18 |
0 |
|
|
128166 |
51033340 |
1 |
N3C9H11 |
A3B9C11 |
57.14 |
0.35 |
-8.63 |
0.11 |
0 |
|
|
128167 |
51033341 |
3 |
NC4H5 |
AB4C5 |
77.7 |
4.96 |
-8.16 |
0.24 |
0 |
|
|
128168 |
51033434 |
1 |
ClNO3H22C30 |
ABC3D22E30 |
-15.03 |
2.49 |
-8.81 |
-0.91 |
0 |
|
|
128169 |
51033444 |
1 |
FN2O3C21H23 |
AB2C3D21E23 |
-122.03 |
11.41 |
-9.18 |
-1.14 |
0 |
|
|
128170 |
51033483 |
1 |
FO2N6H19C21 |
AB2C6D19E21 |
-10.64 |
6.95 |
-8.55 |
-1.02 |
0 |
|
|
128171 |
51033484 |
1 |
O3N7H19C20 |
A3B7C19D20 |
9.54 |
8.03 |
-9.09 |
-1.44 |
0 |
|
|
128173 |
51033545 |
1 |
ClINO5H19C25 |
ABCD5E19F25 |
-12.09 |
4.83 |
-9.26 |
-1.32 |
0 |
|
|
128174 |
51033589 |
1 |
F2O3N4C24H32 |
A2B3C4D24E32 |
-207.61 |
2.09 |
-9.52 |
-0.44 |
0 |
|
|
128175 |
51033590 |
1 |
F2N4O5C33H46 |
A2B4C5D33E46 |
-336.23 |
5.79 |
-9.59 |
-0.49 |
0 |
|
|
128176 |
51033591 |
2 |
ON4H11C12 |
AB4C11D12 |
79.84 |
2.02 |
-8.93 |
-1.39 |
0 |
|
|
128177 |
51033920 |
1 |
SN10O15C43H66 |
AB10C15D43E66 |
-678.58 |
3.1 |
-8.92 |
-0.59 |
0 |
|
|
128178 |
51033939 |
1 |
N7H13C16 |
A7B13C16 |
178.65 |
5.83 |
-9.21 |
-1.02 |
0 |
|
|
128179 |
51034026 |
1 |
F2N4O5C27H36 |
A2B4C5D27E36 |
-302.72 |
5.74 |
-9.33 |
-0.72 |
0 |
|
|
128180 |
51034032 |
1 |
O4N6H20C23 |
A4B6C20D23 |
-42.32 |
2.97 |
-8.6 |
-1.18 |
0 |
|
|
128181 |
51034033 |
1 |
F3N4O9C29H35 |
A3B4C9D29E35 |
-516.46 |
6.4 |
-8.82 |
-1.41 |
0 |
|
|
128182 |
51034034 |
1 |
F3N4O9C28H31 |
A3B4C9D28E31 |
-479.15 |
5.5 |
-8.8 |
-1.2 |
0 |
|
|
128183 |
51034035 |
1 |
F3N4O9C27H31 |
A3B4C9D27E31 |
-513.93 |
4.6 |
-8.97 |
-1.45 |
0 |
|
|
128184 |
51034036 |
1 |
F3N4O9C27H31 |
A3B4C9D27E31 |
-504.7 |
6.72 |
-8.73 |
-1.34 |
0 |
|
|
128185 |
51034210 |
1 |
ClNF3O3H19C30 |
ABC3D3E19F30 |
-174.23 |
5.71 |
-8.99 |
-1.19 |
0 |
|
|
128186 |
51034211 |
1 |
NO3F6H19C31 |
AB3C6D19E31 |
-327.69 |
5.86 |
-9.24 |
-1.48 |
0 |
|
|
128187 |
51034294 |
1 |
N4O4C27H30 |
A4B4C27D30 |
-56.15 |
7.51 |
-9.13 |
-0.46 |
0 |
|
|
128188 |
51034295 |
1 |
N4O4C21H26 |
A4B4C21D26 |
-82.88 |
3.86 |
-9.36 |
-0.48 |
0 |