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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
30223 |
840826 |
1 |
O3N4H16C18 |
A3B4C16D18 |
62.46 |
4.2 |
-9.2 |
-1.33 |
0 |
|
|
30224 |
840833 |
1 |
BrN3O3C13H18 |
AB3C3D13E18 |
-81.88 |
3.22 |
-8.89 |
-0.81 |
0 |
|
|
30225 |
840842 |
1 |
N2O3C19H20 |
A2B3C19D20 |
-46.64 |
3.55 |
-8.77 |
-0.4 |
0 |
|
|
30226 |
840843 |
1 |
ClN5C10H10 |
AB5C10D10 |
72.47 |
3.96 |
-8.9 |
-0.62 |
0 |
|
|
30227 |
840844 |
1 |
ON2C18H24 |
AB2C18D24 |
-13.59 |
6.04 |
-9.01 |
-0.13 |
0 |
|
|
30228 |
840848 |
1 |
N2O5C18H20 |
A2B5C18D20 |
-94.07 |
1.47 |
-8.39 |
-0.69 |
0 |
|
|
30229 |
840850 |
2 |
SN3H4C6 |
AB3C4D6 |
156.04 |
4.38 |
-9.33 |
-1.74 |
0 |
|
|
30230 |
840851 |
1 |
ON3C19H19 |
AB3C19D19 |
32.2 |
2.82 |
-8.61 |
-0.16 |
0 |
|
|
30231 |
840852 |
1 |
N3O3H11C12 |
A3B3C11D12 |
-49.09 |
3.95 |
-8.59 |
-0.77 |
0 |
|
|
30232 |
840871 |
1 |
ClON6H11C12 |
ABC6D11E12 |
122.58 |
5.93 |
-9.09 |
-1.85 |
0 |
|
|
30233 |
840885 |
1 |
N3O4H15C16 |
A3B4C15D16 |
2.46 |
3.89 |
-9.18 |
-1.5 |
0 |
|
|
30234 |
840888 |
1 |
O3N5C12H13 |
A3B5C12D13 |
45.79 |
6.16 |
-9.3 |
-0.73 |
0 |
|
|
30235 |
840898 |
1 |
O3N4C13H14 |
A3B4C13D14 |
-31.5 |
4.27 |
-8.77 |
-0.43 |
0 |
|
|
30236 |
840901 |
1 |
N2O2H16C17 |
A2B2C16D17 |
3.51 |
1.68 |
-9.23 |
-1.31 |
0 |
|
|
30237 |
840933 |
1 |
ClON4H13C16 |
ABC4D13E16 |
75.65 |
3.09 |
-9.62 |
-1.43 |
0 |
|
|
30238 |
840934 |
1 |
ClON4H13C16 |
ABC4D13E16 |
77.54 |
7.18 |
-9.89 |
-1.16 |
0 |
|
|
30239 |
840938 |
1 |
N3O4C17H17 |
A3B4C17D17 |
-52.95 |
5.47 |
-8.65 |
-1.07 |
0 |
|
|
30240 |
840939 |
1 |
N3O4C17H17 |
A3B4C17D17 |
-56.28 |
6.94 |
-8.88 |
-1.28 |
0 |
|
|
30241 |
840940 |
1 |
NOC12H17 |
ABC12D17 |
-54.2 |
3.35 |
-8.53 |
0.31 |
0 |
|
|
30242 |
840995 |
1 |
ClNO3C10H12 |
ABC3D10E12 |
-64.48 |
4.16 |
-8.51 |
-0.57 |
0 |
|
|
30243 |
841031 |
1 |
O3H4N4C7 |
A3B4C4D7 |
54.05 |
7.06 |
-10.63 |
-2.26 |
0 |
|
|
30244 |
841032 |
1 |
NOC16H25 |
ABC16D25 |
-69.42 |
3.71 |
-9.25 |
0.34 |
0 |
|
|
30245 |
841033 |
1 |
O3N4H6C8 |
A3B4C6D8 |
41.76 |
6.82 |
-10.51 |
-2.14 |
0 |
|
|
30246 |
841034 |
1 |
FNSO3C16H16 |
ABCD3E16F16 |
-146.43 |
3.27 |
-8.89 |
-1.11 |
0 |
|
|
30247 |
841035 |
1 |
O2N4H6C7 |
A2B4C6D7 |
67.38 |
4.89 |
-10.04 |
-2.0 |
0 |
|
|
30248 |
841038 |
1 |
SN2O4C16H18 |
AB2C4D16E18 |
-132.03 |
3.23 |
-8.4 |
-0.63 |
0 |
|
|
30249 |
841039 |
1 |
BrOSN2H11C13 |
ABCD2E11F13 |
44.81 |
6.1 |
-9.06 |
-1.1 |
0 |
|
|
30250 |
841044 |
1 |
ClN2O2C18H21 |
AB2C2D18E21 |
-57.13 |
3.43 |
-8.25 |
-0.21 |
0 |
|
|
30251 |
841045 |
1 |
Cl2O2N3H13C15 |
A2B2C3D13E15 |
-37.23 |
2.1 |
-9.07 |
-1.04 |
0 |
|
|
30252 |
841046 |
1 |
FO2N3C19H20 |
AB2C3D19E20 |
-74.47 |
4.06 |
-9.12 |
-0.59 |
0 |
|
|
30253 |
841047 |
1 |
N3O4C17H17 |
A3B4C17D17 |
-76.35 |
2.99 |
-8.92 |
-0.81 |
0 |
|
|
30254 |
841048 |
1 |
N2O4C19H22 |
A2B4C19D22 |
-88.45 |
7.42 |
-8.62 |
-0.4 |
0 |
|
|
30255 |
841049 |
1 |
ClN2O2C18H19 |
AB2C2D18E19 |
-28.01 |
3.14 |
-8.93 |
-0.44 |
0 |
|
|
30256 |
841050 |
1 |
ClN2O2C18H19 |
AB2C2D18E19 |
-29.44 |
4.55 |
-8.81 |
-0.67 |
0 |
|
|
30257 |
841051 |
1 |
NSC12H13 |
ABC12D13 |
18.67 |
0.42 |
-8.68 |
-0.42 |
0 |
|
|
30258 |
841052 |
1 |
IOSN2H7C10 |
ABCD2E7F10 |
46.56 |
3.97 |
-9.33 |
-1.31 |
0 |
|
|
30259 |
841053 |
2 |
NO2C9H10 |
AB2C9D10 |
-74.07 |
7.3 |
-8.73 |
-0.55 |
0 |
|
|
30260 |
841054 |
1 |
FNSO2C15H16 |
ABCD2E15F16 |
-86.79 |
3.86 |
-9.6 |
-0.79 |
0 |
|
|
30261 |
841055 |
1 |
FNSO2C15H16 |
ABCD2E15F16 |
-85.9 |
4.18 |
-9.57 |
-0.7 |
0 |
|
|
30262 |
841056 |
1 |
FNOC17H18 |
ABCD17E18 |
-67.68 |
3.37 |
-9.0 |
-0.55 |
0 |
|
|
30263 |
841057 |
1 |
FNOC17H18 |
ABCD17E18 |
-67.73 |
3.63 |
-8.98 |
-0.5 |
0 |
|
|
30264 |
841058 |
1 |
NF2O2H15C16 |
AB2C2D15E16 |
-140.23 |
3.35 |
-8.98 |
-0.56 |
0 |
|
|
30265 |
841059 |
1 |
ClN2O3C17H17 |
AB2C3D17E17 |
-28.78 |
5.41 |
-8.99 |
-1.78 |
0 |
|
|
30266 |
841060 |
1 |
ON5C8H11 |
AB5C8D11 |
91.51 |
3.34 |
-9.09 |
-0.08 |
0 |
|
|
30267 |
841061 |
1 |
ClN2O3C17H17 |
AB2C3D17E17 |
-28.75 |
3.76 |
-9.1 |
-1.66 |
0 |
|
|
30268 |
841062 |
1 |
NOSC14H15 |
ABCD14E15 |
-16.51 |
3.58 |
-8.44 |
-0.7 |
0 |
|
|
30269 |
841066 |
1 |
ON5C8H11 |
AB5C8D11 |
98.15 |
2.63 |
-8.69 |
0.08 |
0 |
|
|
30270 |
841067 |
1 |
N2O3C19H22 |
A2B3C19D22 |
-57.0 |
6.84 |
-8.28 |
-0.5 |
0 |
|
|
30271 |
841070 |
1 |
ClNSO3C16H16 |
ABCD3E16F16 |
-107.91 |
2.05 |
-8.86 |
-1.17 |
0 |
|
|
30272 |
841071 |
1 |
ClN3O3H12C14 |
AB3C3D12E14 |
-12.91 |
8.36 |
-9.11 |
-1.45 |
0 |
|
|
30273 |
841072 |
1 |
FNO3H16C19 |
ABC3D16E19 |
-89.05 |
2.13 |
-8.91 |
-0.85 |
0 |
|
|
30274 |
841073 |
1 |
ClN2O3H15C16 |
AB2C3D15E16 |
-16.03 |
4.96 |
-9.78 |
-1.92 |
0 |
|
|
30275 |
841075 |
1 |
FO2N3H14C15 |
AB2C3D14E15 |
-69.52 |
1.0 |
-9.02 |
-0.84 |
0 |
|
|
30276 |
841076 |
1 |
NSO3C18H21 |
ABC3D18E21 |
-118.5 |
3.66 |
-8.64 |
-0.84 |
0 |
|
|
30277 |
841077 |
1 |
BrOSN3H12C13 |
ABCD3E12F13 |
58.29 |
5.61 |
-9.04 |
-0.98 |
0 |
|
|
30278 |
841078 |
1 |
NS2O3C15H15 |
AB2C3D15E15 |
-91.97 |
1.66 |
-8.75 |
-0.74 |
0 |
|
|
30279 |
841079 |
1 |
SN2O2H12C13 |
AB2C2D12E13 |
-3.17 |
5.42 |
-8.69 |
-0.78 |
0 |
|
|
30280 |
841080 |
2 |
OSN2C6H8 |
ABC2D6E8 |
-3.0 |
4.9 |
-8.39 |
-1.85 |
0 |
|
|
30281 |
841081 |
1 |
ClNSO2H12C17 |
ABCD2E12F17 |
4.4 |
2.65 |
-8.81 |
-1.15 |
0 |
|
|
30282 |
841083 |
1 |
ClN2O2H11C12 |
AB2C2D11E12 |
-34.59 |
7.18 |
-9.23 |
-0.94 |
0 |
|
|
30283 |
841085 |
2 |
NO2C9H10 |
AB2C9D10 |
-81.67 |
2.62 |
-8.48 |
-0.47 |
0 |
|
|
30284 |
841086 |
1 |
N3O3C19H21 |
A3B3C19D21 |
-60.99 |
7.7 |
-8.9 |
-0.3 |
0 |
|
|
30285 |
841087 |
1 |
NOSC15H17 |
ABCD15E17 |
-13.93 |
4.59 |
-9.1 |
-0.66 |
0 |
|
|
30286 |
841089 |
1 |
INO4C11H12 |
ABC4D11E12 |
-107.37 |
6.08 |
-9.45 |
-1.47 |
0 |
|
|
30287 |
841090 |
1 |
ClO2N3H16C17 |
AB2C3D16E17 |
-27.84 |
7.34 |
-8.89 |
-0.62 |
0 |
|
|
30288 |
841091 |
1 |
N2O3C17H18 |
A2B3C17D18 |
-19.2 |
5.05 |
-9.84 |
-1.46 |
0 |
|
|
30289 |
841093 |
1 |
SN2O4C16H18 |
AB2C4D16E18 |
-77.48 |
2.99 |
-8.48 |
-0.99 |
0 |
|
|
30290 |
841094 |
1 |
NCl2O2H15C16 |
AB2C2D15E16 |
-65.5 |
3.62 |
-9.09 |
-0.69 |
0 |
|
|
30291 |
841095 |
1 |
BrO2N3H14C15 |
AB2C3D14E15 |
-18.77 |
2.48 |
-8.84 |
-0.83 |
0 |
|
|
30292 |
841096 |
1 |
ClNSO2C16H18 |
ABCD2E16F18 |
-58.66 |
3.21 |
-9.14 |
-0.89 |
0 |
|
|
30293 |
841097 |
1 |
ClNSO2C16H18 |
ABCD2E16F18 |
-57.81 |
4.56 |
-9.31 |
-0.8 |
0 |
|
|
30294 |
841098 |
1 |
N2O5H16C17 |
A2B5C16D17 |
-96.35 |
8.13 |
-9.41 |
-1.48 |
0 |
|
|
30295 |
841099 |
1 |
SN2O3C16H18 |
AB2C3D16E18 |
-43.72 |
7.84 |
-8.26 |
-0.77 |
0 |
|
|
30296 |
841100 |
1 |
SN2O2C14H14 |
AB2C2D14E14 |
-14.72 |
3.92 |
-8.62 |
-0.82 |
0 |
|
|
30297 |
841102 |
1 |
ClNSO3C16H16 |
ABCD3E16F16 |
-107.7 |
2.71 |
-8.76 |
-1.05 |
0 |
|
|
30298 |
841103 |
1 |
ClNO4C10H10 |
ABC4D10E10 |
-103.84 |
2.98 |
-9.15 |
-0.88 |
0 |
|
|
30299 |
841105 |
1 |
NO5C19H23 |
AB5C19D23 |
-154.5 |
5.41 |
-8.55 |
-0.08 |
0 |
|
|
30300 |
841107 |
1 |
ClNOC17H18 |
ABCD17E18 |
-29.53 |
4.12 |
-9.18 |
-0.56 |
0 |
|
|
30301 |
841108 |
1 |
ClNOC17H18 |
ABCD17E18 |
-28.43 |
4.46 |
-9.21 |
-0.64 |
0 |
|
|
30302 |
841109 |
1 |
O2N3F4H13C15 |
A2B3C4D13E15 |
-198.73 |
2.08 |
-8.46 |
-0.9 |
0 |
|
|
30303 |
841110 |
1 |
ClNOF3H9C14 |
ABCD3E9F14 |
-162.17 |
3.62 |
-9.21 |
-1.12 |
0 |
|
|
30304 |
841111 |
1 |
Cl2N2O2H12C15 |
A2B2C2D12E15 |
-34.56 |
3.61 |
-9.1 |
-1.05 |
0 |
|
|
30305 |
841112 |
1 |
ClN3O3C17H18 |
AB3C3D17E18 |
-76.19 |
3.38 |
-9.05 |
-0.48 |
0 |
|
|
30306 |
841113 |
1 |
ClN2O3C18H19 |
AB2C3D18E19 |
-58.31 |
6.1 |
-8.69 |
-0.51 |
0 |
|
|
30307 |
841114 |
1 |
ClN2O5H13C15 |
AB2C5D13E15 |
-83.93 |
8.17 |
-9.38 |
-1.33 |
0 |
|
|
30308 |
841115 |
1 |
INO2C10H10 |
ABC2D10E10 |
-9.99 |
5.61 |
-8.98 |
-1.07 |
0 |
|
|
30309 |
841116 |
1 |
NOSC14H15 |
ABCD14E15 |
-12.95 |
4.83 |
-8.87 |
-0.74 |
0 |
|
|
30310 |
841117 |
1 |
Cl2O2N3C14H17 |
A2B2C3D14E17 |
-77.97 |
4.59 |
-9.12 |
-0.63 |
0 |
|
|
30311 |
841118 |
1 |
N2O3F4H10C14 |
A2B3C4D10E14 |
-235.43 |
2.71 |
-9.15 |
-0.96 |
0 |
|
|
30312 |
841119 |
1 |
SN2O3C15H16 |
AB2C3D15E16 |
-41.68 |
3.33 |
-8.31 |
-0.73 |
0 |
|
|
30313 |
841120 |
1 |
ON2C18H22 |
AB2C18D22 |
-22.72 |
4.09 |
-8.47 |
0.08 |
0 |
|
|
30314 |
841121 |
1 |
NSO2C16H19 |
ABC2D16E19 |
-51.81 |
4.89 |
-9.13 |
-0.52 |
0 |
|
|
30315 |
841126 |
1 |
NSO2C16H19 |
ABC2D16E19 |
-51.59 |
5.23 |
-9.03 |
-0.54 |
0 |
|
|
30316 |
841127 |
1 |
NSO4C18H21 |
ABC4D18E21 |
-149.45 |
4.41 |
-8.49 |
-0.87 |
0 |
|
|
30317 |
841128 |
1 |
ClO2N3H14C15 |
AB2C3D14E15 |
-32.35 |
1.81 |
-9.03 |
-0.89 |
0 |
|
|
30318 |
841130 |
1 |
INO2C12H14 |
ABC2D12E14 |
-25.42 |
6.43 |
-8.85 |
-0.98 |
0 |
|
|
30319 |
841131 |
1 |
NO3H15C16 |
AB3C15D16 |
-30.65 |
3.98 |
-9.36 |
-0.51 |
0 |
|
|
30320 |
841134 |
1 |
FN2O3C18H19 |
AB2C3D18E19 |
-97.69 |
5.72 |
-8.4 |
-0.62 |
0 |
|
|
30321 |
841136 |
1 |
NO2C18H21 |
AB2C18D21 |
-62.46 |
3.29 |
-8.84 |
0.04 |
0 |
|
|
30322 |
841137 |
1 |
ClN2O2H15C16 |
AB2C2D15E16 |
-9.2 |
3.58 |
-8.72 |
-0.9 |
0 |