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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
350185 |
127277263 |
1 |
SO2N3C16H25 |
AB2C3D16E25 |
-100.72 |
5.07 |
-8.9 |
-0.56 |
0 |
|
|
350186 |
127277264 |
1 |
SO2N4C13H20 |
AB2C4D13E20 |
-41.76 |
2.44 |
-9.02 |
-0.61 |
0 |
|
|
350187 |
127277265 |
1 |
SO2N6C17H24 |
AB2C6D17E24 |
-21.53 |
2.42 |
-8.84 |
-0.56 |
0 |
|
|
350188 |
127277266 |
1 |
O2N4C13H20 |
A2B4C13D20 |
-62.44 |
1.78 |
-9.12 |
0.63 |
0 |
|
|
350189 |
127277267 |
1 |
SO2N6C16H24 |
AB2C6D16E24 |
-26.96 |
4.29 |
-9.0 |
-0.54 |
0 |
|
|
350190 |
127277268 |
1 |
SO2N4C19H30 |
AB2C4D19E30 |
-48.92 |
6.01 |
-8.66 |
-0.34 |
0 |
|
|
350191 |
127277269 |
1 |
ON5C20H27 |
AB5C20D27 |
26.64 |
4.96 |
-8.65 |
-0.6 |
0 |
|
|
350192 |
127277270 |
1 |
O2N3C13H23 |
A2B3C13D23 |
-88.7 |
5.36 |
-9.33 |
0.85 |
0 |
|
|
350193 |
127277271 |
1 |
SO2N5C19H31 |
AB2C5D19E31 |
-80.79 |
5.01 |
-8.56 |
-0.12 |
0 |
|
|
350194 |
127277272 |
1 |
SO3N5C18H29 |
AB3C5D18E29 |
-101.53 |
4.42 |
-8.89 |
-0.59 |
0 |
|
|
350195 |
127277273 |
1 |
O2N5C17H27 |
A2B5C17D27 |
-35.63 |
6.47 |
-8.16 |
0.0 |
0 |
|
|
350196 |
127277274 |
1 |
OSN4C15H24 |
ABC4D15E24 |
-7.25 |
4.08 |
-8.56 |
-0.18 |
0 |
|
|
350197 |
127277275 |
1 |
ON3C14H27 |
AB3C14D27 |
-73.62 |
4.12 |
-8.82 |
1.36 |
0 |
|
|
350198 |
127277276 |
1 |
N3O3C17H25 |
A3B3C17D25 |
-104.69 |
4.61 |
-8.18 |
0.16 |
0 |
|
|
350199 |
127277277 |
1 |
ON3C14H19 |
AB3C14D19 |
1.65 |
3.62 |
-8.97 |
0.2 |
0 |
|
|
350200 |
127277278 |
1 |
OSN5C21H29 |
ABC5D21E29 |
14.28 |
3.38 |
-8.66 |
-0.27 |
0 |
|
|
350201 |
127277279 |
1 |
SO2N5C19H25 |
AB2C5D19E25 |
-11.0 |
5.78 |
-8.64 |
-0.45 |
0 |
|
|
350202 |
127277280 |
1 |
O2N3C15H21 |
A2B3C15D21 |
-54.39 |
3.45 |
-8.93 |
0.19 |
0 |
|
|
350203 |
127277281 |
1 |
ON3C13H19 |
AB3C13D19 |
-13.49 |
3.55 |
-8.81 |
0.3 |
0 |
|
|
350204 |
127277282 |
1 |
ON3C14H21 |
AB3C14D21 |
-32.44 |
3.61 |
-8.89 |
0.24 |
0 |
|
|
350205 |
127277283 |
1 |
N3O3C21H25 |
A3B3C21D25 |
-69.78 |
3.76 |
-8.66 |
0.08 |
0 |
|
|
350206 |
127277284 |
1 |
O3N4C18H34 |
A3B4C18D34 |
-168.07 |
3.86 |
-8.68 |
0.85 |
0 |
|
|
350207 |
127277285 |
1 |
O2N3C12H23 |
A2B3C12D23 |
-115.04 |
2.41 |
-9.23 |
0.95 |
0 |
|
|
350208 |
127277286 |
1 |
OSN4C15H24 |
ABC4D15E24 |
-18.09 |
1.75 |
-8.89 |
-0.47 |
0 |
|
|
350209 |
127277287 |
1 |
N3O3C21H29 |
A3B3C21D29 |
-98.42 |
5.82 |
-8.77 |
0.3 |
0 |
|
|
350210 |
127277288 |
1 |
N3O3C18H31 |
A3B3C18D31 |
-155.83 |
4.01 |
-9.46 |
0.8 |
0 |
|
|
350211 |
127277289 |
1 |
O3N4C19H32 |
A3B4C19D32 |
-140.65 |
2.44 |
-9.54 |
0.81 |
0 |
|
|
350212 |
127277290 |
2 |
ON2C10H14 |
AB2C10D14 |
-51.65 |
3.8 |
-9.07 |
0.02 |
0 |
|
|
350213 |
127277291 |
1 |
OSN4C16H26 |
ABC4D16E26 |
-22.57 |
1.84 |
-8.84 |
-0.46 |
0 |
|
|
350214 |
127277292 |
1 |
O2N3C15H27 |
A2B3C15D27 |
-102.67 |
6.02 |
-9.22 |
0.95 |
0 |
|
|
350215 |
127277293 |
1 |
N2O4C17H24 |
A2B4C17D24 |
-149.85 |
2.56 |
-8.76 |
0.31 |
0 |
|
|
350216 |
127277294 |
2 |
NO2C7H13 |
AB2C7D13 |
-203.16 |
2.31 |
-9.42 |
1.0 |
0 |
|
|
350217 |
127277295 |
1 |
O3N4C13H22 |
A3B4C13D22 |
-107.07 |
5.4 |
-9.01 |
0.71 |
0 |
|
|
350218 |
127277296 |
1 |
N3O4C15H27 |
A3B4C15D27 |
-188.52 |
5.22 |
-9.51 |
0.85 |
0 |
|
|
350219 |
127277297 |
1 |
N3O3C16H23 |
A3B3C16D23 |
-99.6 |
3.59 |
-8.93 |
0.21 |
0 |
|
|
350220 |
127277298 |
1 |
N2O3C15H28 |
A2B3C15D28 |
-176.27 |
4.06 |
-9.57 |
1.23 |
0 |
|
|
350221 |
127277299 |
2 |
OSN2C8H13 |
ABC2D8E13 |
-65.02 |
3.96 |
-8.56 |
-0.78 |
0 |
|
|
350222 |
127277300 |
1 |
SO2N5C17H29 |
AB2C5D17E29 |
-66.38 |
4.41 |
-8.57 |
0.48 |
0 |
|
|
350223 |
127277301 |
2 |
ON2C11H17 |
AB2C11D17 |
-87.7 |
2.53 |
-8.85 |
0.43 |
0 |
|
|
350224 |
127277302 |
2 |
ON2C11H13 |
AB2C11D13 |
-37.05 |
2.44 |
-8.5 |
-0.1 |
0 |
|
|
350225 |
127277303 |
1 |
SN4O4C16H30 |
AB4C4D16E30 |
-198.26 |
4.35 |
-9.46 |
0.34 |
0 |
|
|
350226 |
127277304 |
1 |
O2N3C17H23 |
A2B3C17D23 |
-79.88 |
6.03 |
-8.86 |
-0.2 |
0 |
|
|
350227 |
127277305 |
1 |
O2N4C21H24 |
A2B4C21D24 |
-33.85 |
5.9 |
-8.6 |
-0.27 |
0 |
|
|
350228 |
127277306 |
1 |
FN3O4C19H26 |
AB3C4D19E26 |
-206.85 |
5.78 |
-9.26 |
-0.7 |
0 |
|
|
350229 |
127277307 |
1 |
N3O3C21H25 |
A3B3C21D25 |
-68.69 |
6.24 |
-8.53 |
0.07 |
0 |
|
|
350230 |
127277308 |
1 |
OSN6C15H20 |
ABC6D15E20 |
32.33 |
1.53 |
-8.85 |
-0.62 |
0 |
|
|
350231 |
127277309 |
1 |
SO2N5C15H23 |
AB2C5D15E23 |
-70.08 |
2.86 |
-9.21 |
-0.45 |
0 |
|
|
350232 |
127277310 |
1 |
S2O3N5C16H21 |
A2B3C5D16E21 |
-62.47 |
5.24 |
-9.29 |
-1.11 |
0 |
|
|
350233 |
127277311 |
1 |
SO3N5C17H27 |
AB3C5D17E27 |
-106.96 |
1.68 |
-9.14 |
-0.62 |
0 |
|
|
350234 |
127277312 |
1 |
SO2N5C19H31 |
AB2C5D19E31 |
-80.4 |
1.91 |
-8.89 |
-0.53 |
0 |
|
|
350235 |
127277313 |
1 |
O2N5C19H25 |
A2B5C19D25 |
11.8 |
3.11 |
-9.09 |
-0.54 |
0 |
|
|
350236 |
127277314 |
1 |
O2N3C14H25 |
A2B3C14D25 |
-96.82 |
2.12 |
-9.27 |
0.89 |
0 |
|
|
350237 |
127277315 |
1 |
ON3C15H21 |
AB3C15D21 |
-5.28 |
3.47 |
-8.95 |
0.2 |
0 |
|
|
350238 |
127277316 |
1 |
O2N3C14H25 |
A2B3C14D25 |
-96.88 |
0.96 |
-9.11 |
0.83 |
0 |
|
|
350239 |
127277317 |
2 |
NOC7H9 |
ABC7D9 |
-60.01 |
3.45 |
-8.9 |
0.04 |
0 |
|
|
350240 |
127277318 |
1 |
SO3N5C14H27 |
AB3C5D14E27 |
-108.22 |
6.95 |
-8.79 |
-0.21 |
0 |
|
|
350241 |
127277319 |
1 |
ON5C17H27 |
AB5C17D27 |
-7.68 |
4.79 |
-8.43 |
-0.19 |
0 |
|
|
350242 |
127277320 |
1 |
SO2N3C15H23 |
AB2C3D15E23 |
-47.5 |
4.19 |
-8.83 |
-0.36 |
0 |
|
|
350243 |
127277321 |
1 |
SN3O3C12H23 |
AB3C3D12E23 |
-126.03 |
5.36 |
-9.4 |
0.38 |
0 |
|
|
350244 |
127277322 |
1 |
OSN2C12H16 |
ABC2D12E16 |
-8.97 |
3.25 |
-9.15 |
-0.22 |
0 |
|
|
350245 |
127277323 |
1 |
O2N4C13H22 |
A2B4C13D22 |
-80.29 |
4.13 |
-9.15 |
0.92 |
0 |
|
|
350246 |
127277324 |
1 |
SN3O3C11H21 |
AB3C3D11E21 |
-132.06 |
6.53 |
-9.5 |
0.42 |
0 |
|
|
350247 |
127277325 |
1 |
O2N3C14H23 |
A2B3C14D23 |
-71.99 |
5.19 |
-9.48 |
0.84 |
0 |
|
|
350248 |
127277326 |
1 |
ON3C14H27 |
AB3C14D27 |
-73.67 |
4.05 |
-8.92 |
1.23 |
0 |
|
|
350249 |
127277327 |
1 |
N3O3C15H25 |
A3B3C15D25 |
-129.19 |
3.42 |
-9.24 |
0.65 |
0 |
|
|
350250 |
127277328 |
2 |
ON2C9H16 |
AB2C9D16 |
-99.51 |
6.38 |
-8.88 |
0.97 |
0 |
|
|
350251 |
127277329 |
1 |
O2F3N4C18H23 |
A2B3C4D18E23 |
-212.6 |
4.2 |
-9.27 |
-0.62 |
0 |
|
|
350252 |
127277330 |
1 |
ON2C14H18 |
AB2C14D18 |
-14.97 |
3.57 |
-9.3 |
0.28 |
0 |
|
|
350253 |
127277331 |
1 |
O2N4C15H26 |
A2B4C15D26 |
-80.36 |
5.33 |
-9.13 |
0.64 |
0 |
|
|
350254 |
127277332 |
1 |
ON4C18H30 |
AB4C18D30 |
-49.63 |
4.61 |
-9.11 |
0.66 |
0 |
|
|
350255 |
127277333 |
1 |
SO3N6C17H24 |
AB3C6D17E24 |
-57.93 |
4.08 |
-9.15 |
-1.08 |
0 |
|
|
350256 |
127277334 |
1 |
O2N4C19H24 |
A2B4C19D24 |
-7.4 |
6.02 |
-9.48 |
-0.86 |
0 |
|
|
350257 |
127277335 |
1 |
ON5C19H31 |
AB5C19D31 |
-29.81 |
7.07 |
-8.82 |
-0.4 |
0 |
|
|
350258 |
127277336 |
1 |
N2O4C15H24 |
A2B4C15D24 |
-184.9 |
1.5 |
-9.25 |
0.62 |
0 |
|
|
350259 |
127277337 |
1 |
O2N5C18H29 |
A2B5C18D29 |
-54.88 |
6.26 |
-8.53 |
-0.54 |
0 |
|
|
350260 |
127277338 |
1 |
ON4C19H28 |
AB4C19D28 |
-32.79 |
5.54 |
-8.72 |
-0.47 |
0 |
|
|
350261 |
127277339 |
2 |
NOC6H11 |
ABC6D11 |
-113.27 |
2.24 |
-8.73 |
1.29 |
0 |
|
|
350262 |
127277340 |
1 |
O3N5C16H23 |
A3B5C16D23 |
-74.21 |
8.37 |
-8.86 |
-0.62 |
0 |
|
|
350263 |
127277341 |
1 |
ON6C21H28 |
AB6C21D28 |
27.34 |
7.92 |
-7.92 |
-0.64 |
0 |
|
|
350264 |
127277342 |
1 |
N2O2C15H28 |
A2B2C15D28 |
-140.82 |
2.45 |
-8.8 |
1.32 |
0 |
|
|
350265 |
127277343 |
1 |
N2O3C12H20 |
A2B3C12D20 |
-146.18 |
2.63 |
-9.5 |
0.36 |
0 |
|
|
350266 |
127277344 |
1 |
O2N5C18H25 |
A2B5C18D25 |
-31.84 |
8.24 |
-8.87 |
-0.64 |
0 |
|
|
350267 |
127277345 |
1 |
SN4O4C15H28 |
AB4C4D15E28 |
-169.09 |
7.02 |
-8.77 |
-0.23 |
0 |
|
|
350268 |
127277346 |
1 |
N2O2C13H24 |
A2B2C13D24 |
-102.53 |
3.15 |
-8.8 |
1.08 |
0 |
|
|
350269 |
127277347 |
2 |
ON2C8H12 |
AB2C8D12 |
-55.99 |
5.05 |
-9.33 |
0.52 |
0 |
|
|
350270 |
127277348 |
1 |
ON7C18H21 |
AB7C18D21 |
71.03 |
9.33 |
-9.21 |
-1.05 |
0 |
|
|
350271 |
127277349 |
1 |
ON7C19H25 |
AB7C19D25 |
48.36 |
10.97 |
-8.84 |
-0.66 |
0 |
|
|
350272 |
127277350 |
1 |
N2O3C13H22 |
A2B3C13D22 |
-157.22 |
1.75 |
-9.41 |
0.86 |
0 |
|
|
350273 |
127277351 |
2 |
ON3C10H15 |
AB3C10D15 |
-44.04 |
4.87 |
-8.7 |
-0.41 |
0 |
|
|
350274 |
127277352 |
1 |
O2N5C20H29 |
A2B5C20D29 |
-54.88 |
6.96 |
-8.73 |
-0.44 |
0 |
|
|
350275 |
127277353 |
1 |
O3N4C17H22 |
A3B4C17D22 |
-87.34 |
2.63 |
-8.41 |
-0.31 |
0 |
|
|
350276 |
127277354 |
2 |
NO2C8H14 |
AB2C8D14 |
-193.07 |
7.44 |
-9.08 |
0.88 |
0 |
|
|
350277 |
127277355 |
1 |
SN2O5C15H20 |
AB2C5D15E20 |
-197.02 |
4.61 |
-8.55 |
-0.32 |
0 |
|
|
350278 |
127277356 |
1 |
O3N4C14H20 |
A3B4C14D20 |
-79.27 |
6.26 |
-8.86 |
-0.63 |
0 |
|
|
350279 |
127277357 |
1 |
O2N3C16H25 |
A2B3C16D25 |
-81.19 |
4.07 |
-8.61 |
0.79 |
0 |
|
|
350280 |
127277358 |
1 |
ON6C19H26 |
AB6C19D26 |
26.1 |
4.68 |
-8.55 |
-0.59 |
0 |
|
|
350281 |
127277359 |
1 |
OF3N5C16H22 |
AB3C5D16E22 |
-164.63 |
10.63 |
-8.88 |
-0.65 |
0 |
|
|
350282 |
127277360 |
1 |
BrSO2N3C13H14 |
ABC2D3E13F14 |
-9.8 |
5.03 |
-9.03 |
-1.22 |
0 |
|
|
350283 |
127277361 |
1 |
O2N3C21H31 |
A2B3C21D31 |
-96.38 |
2.25 |
-8.61 |
-0.36 |
0 |
|
|
350284 |
127277362 |
1 |
ON5C16H25 |
AB5C16D25 |
-11.71 |
6.29 |
-8.45 |
-0.53 |
0 |