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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
18223 |
538956 |
1 |
NO7C14H19 |
AB7C14D19 |
-314.79 |
3.37 |
-10.05 |
0.32 |
0 |
|
|
18224 |
538957 |
1 |
FN2O2H19C20 |
AB2C2D19E20 |
-62.15 |
5.47 |
-8.67 |
-0.32 |
0 |
|
|
18225 |
538958 |
1 |
ClNO2C5H10 |
ABC2D5E10 |
-76.81 |
4.12 |
-10.2 |
-0.26 |
0 |
|
|
18226 |
538959 |
2 |
O2C7H11 |
A2B7C11 |
-192.44 |
2.19 |
-10.28 |
0.23 |
0 |
|
|
18227 |
538962 |
1 |
ON3C9H13 |
AB3C9D13 |
-22.92 |
4.72 |
-9.21 |
-0.53 |
0 |
|
|
18228 |
538981 |
1 |
O3C17H24 |
A3B17C24 |
-157.24 |
6.3 |
-9.78 |
0.04 |
0 |
|
|
18229 |
538987 |
1 |
O7C26H36 |
A7B26C36 |
-324.2 |
2.95 |
-9.96 |
0.23 |
0 |
|
|
18230 |
538988 |
1 |
SN2O2H14C16 |
AB2C2D14E16 |
9.49 |
3.77 |
-8.86 |
-1.23 |
0 |
|
|
18231 |
538998 |
1 |
O7C21H36 |
A7B21C36 |
-373.22 |
5.33 |
-9.7 |
0.89 |
0 |
|
|
18232 |
539002 |
1 |
NO5C9H15 |
AB5C9D15 |
-172.98 |
4.14 |
-11.03 |
-0.63 |
0 |
|
|
18233 |
539005 |
1 |
O2C9H14 |
A2B9C14 |
-92.73 |
3.01 |
-9.95 |
0.13 |
0 |
|
|
18234 |
539019 |
1 |
BO6C10H17 |
AB6C10D17 |
-336.51 |
1.76 |
-10.43 |
0.64 |
0 |
|
|
18235 |
539026 |
1 |
O9C19H24 |
A9B19C24 |
-367.63 |
2.63 |
-8.91 |
-0.02 |
0 |
|
|
18236 |
539027 |
1 |
O2C13H20 |
A2B13C20 |
-82.46 |
0.97 |
-9.55 |
0.17 |
0 |
|
|
18237 |
539032 |
1 |
NO8C16H17 |
AB8C16D17 |
-234.12 |
7.26 |
-9.82 |
-1.12 |
0 |
|
|
18238 |
539037 |
2 |
N2O2C5H7 |
A2B2C5D7 |
-80.41 |
1.37 |
-9.53 |
-1.14 |
0 |
|
|
18239 |
539038 |
1 |
OSC10H20 |
ABC10D20 |
-88.61 |
1.25 |
-9.32 |
0.24 |
0 |
|
|
18240 |
539062 |
1 |
O2C15H26 |
A2B15C26 |
-112.35 |
3.99 |
-9.93 |
0.36 |
0 |
|
|
18241 |
539064 |
1 |
NO2C22H43 |
AB2C22D43 |
-174.84 |
3.74 |
-9.32 |
1.17 |
0 |
|
|
18242 |
539091 |
1 |
NO3C29H45 |
AB3C29D45 |
-194.46 |
4.12 |
-9.37 |
0.84 |
0 |
|
|
18243 |
539092 |
1 |
NO7C15H27 |
AB7C15D27 |
-331.47 |
4.83 |
-9.29 |
0.46 |
0 |
|
|
18244 |
539125 |
1 |
O13C19H26 |
A13B19C26 |
-597.38 |
5.58 |
-10.89 |
0.32 |
0 |
|
|
18245 |
539133 |
1 |
O8C13H20 |
A8B13C20 |
-384.97 |
4.68 |
-10.86 |
0.61 |
0 |
|
|
18246 |
539135 |
1 |
FO9C14H19 |
AB9C14D19 |
-458.9 |
3.45 |
-10.69 |
0.14 |
0 |
|
|
18247 |
539153 |
1 |
SO4C11H24 |
AB4C11D24 |
-218.14 |
2.67 |
-8.91 |
0.32 |
0 |
|
|
18248 |
539171 |
1 |
N2O3C10H10 |
A2B3C10D10 |
0.34 |
4.49 |
-9.17 |
-1.46 |
0 |
|
|
18249 |
539174 |
1 |
NPO3S3C12H26 |
ABC3D3E12F26 |
-249.9 |
6.14 |
-9.18 |
-1.89 |
0 |
|
|
18250 |
539177 |
1 |
O2N3H13C17 |
A2B3C13D17 |
36.32 |
2.89 |
-9.29 |
-1.59 |
0 |
|
|
18251 |
539179 |
1 |
N2O3C13H16 |
A2B3C13D16 |
-103.47 |
3.29 |
-9.44 |
-0.78 |
0 |
|
|
18252 |
539182 |
3 |
OC4H4 |
AB4C4 |
-103.12 |
2.56 |
-9.73 |
-0.35 |
0 |
|
|
18253 |
539185 |
6 |
NOH3C4 |
ABC3D4 |
75.8 |
2.1 |
-9.35 |
-2.96 |
0 |
|
|
18254 |
539189 |
1 |
NO4C13H17 |
AB4C13D17 |
-82.19 |
2.21 |
-9.14 |
-0.13 |
0 |
|
|
18255 |
539192 |
1 |
ON3F7H10C16 |
AB3C7D10E16 |
-300.63 |
6.45 |
-8.83 |
-1.56 |
0 |
|
|
18256 |
539193 |
1 |
O3C14H22 |
A3B14C22 |
-155.8 |
1.84 |
-9.14 |
0.72 |
0 |
|
|
18257 |
539221 |
1 |
N2O3C14H18 |
A2B3C14D18 |
-116.0 |
4.72 |
-9.22 |
-0.28 |
0 |
|
|
18258 |
539226 |
4 |
OC3H4 |
AB3C4 |
-160.99 |
2.5 |
-8.85 |
0.0 |
0 |
|
|
18259 |
539236 |
1 |
O3C17H18 |
A3B17C18 |
-98.93 |
3.62 |
-9.43 |
-0.55 |
0 |
|
|
18260 |
539237 |
2 |
NO2C6H8 |
AB2C6D8 |
-72.35 |
3.89 |
-9.3 |
-0.5 |
0 |
|
|
18261 |
539245 |
1 |
O4C17H26 |
A4B17C26 |
-215.96 |
4.39 |
-9.49 |
0.37 |
0 |
|
|
18262 |
539280 |
1 |
ClON5H12C13 |
ABC5D12E13 |
23.67 |
4.56 |
-9.19 |
-0.74 |
0 |
|
|
18263 |
539282 |
1 |
SN2O2H8C9 |
AB2C2D8E9 |
-31.34 |
5.46 |
-9.01 |
-1.14 |
0 |
|
|
18264 |
539283 |
1 |
O4C23H30 |
A4B23C30 |
-183.4 |
3.33 |
-9.85 |
-0.42 |
0 |
|
|
18265 |
539289 |
1 |
OC10H16 |
AB10C16 |
-29.99 |
3.22 |
-9.76 |
0.49 |
0 |
|
|
18266 |
539292 |
1 |
O2C15H24 |
A2B15C24 |
-106.08 |
5.68 |
-9.13 |
0.14 |
0 |
|
|
18267 |
539294 |
2 |
NOC5H7 |
ABC5D7 |
-52.61 |
4.89 |
-8.5 |
-0.02 |
0 |
|
|
18268 |
539295 |
1 |
SO3C11H12 |
AB3C11D12 |
-100.68 |
2.18 |
-8.84 |
-0.38 |
0 |
|
|
18269 |
539325 |
1 |
BN2O4C19H29 |
AB2C4D19E29 |
-231.29 |
10.47 |
-8.93 |
-0.71 |
0 |
|
|
18270 |
539328 |
1 |
OCl3C6H9 |
AB3C6D9 |
-87.93 |
2.84 |
-10.61 |
-0.82 |
0 |
|
|
18271 |
539330 |
2 |
O2C6H9 |
A2B6C9 |
-212.85 |
3.81 |
-10.48 |
0.78 |
0 |
|
|
18272 |
539332 |
2 |
O5C14H20 |
A5B14C20 |
-426.95 |
6.02 |
-10.04 |
0.45 |
0 |
|
|
18273 |
539335 |
1 |
O4C11H14 |
A4B11C14 |
-150.54 |
3.71 |
-10.23 |
0.48 |
0 |
|
|
18274 |
539336 |
1 |
OSeC8H16 |
ABC8D16 |
-54.85 |
4.15 |
-8.27 |
-0.7 |
0 |
|
|
18275 |
539340 |
1 |
O2C13H22 |
A2B13C22 |
-118.23 |
1.95 |
-10.07 |
-0.03 |
0 |
|
|
18276 |
539345 |
2 |
OC5H8 |
AB5C8 |
-102.01 |
4.73 |
-9.81 |
-0.08 |
0 |
|
|
18277 |
539348 |
1 |
NO3C29H47 |
AB3C29D47 |
-202.21 |
2.25 |
-9.31 |
0.77 |
0 |
|
|
18278 |
539349 |
1 |
NO4C30H45 |
AB4C30D45 |
-230.29 |
4.35 |
-8.71 |
0.62 |
0 |
|
|
18279 |
539350 |
2 |
OC6H9 |
AB6C9 |
-93.29 |
3.1 |
-9.85 |
0.6 |
0 |
|
|
18280 |
539352 |
1 |
FO2N4H13C17 |
AB2C4D13E17 |
14.34 |
5.41 |
-10.13 |
-0.74 |
0 |
|
|
18281 |
539353 |
1 |
N2O4C23H28 |
A2B4C23D28 |
-119.27 |
4.99 |
-8.85 |
-0.05 |
0 |
|
|
18282 |
539354 |
1 |
ClO2N5C12H12 |
AB2C5D12E12 |
-10.72 |
5.86 |
-9.1 |
-0.83 |
0 |
|
|
18283 |
539355 |
1 |
O6C13H20 |
A6B13C20 |
-277.33 |
2.33 |
-10.43 |
-0.18 |
0 |
|
|
18284 |
539357 |
1 |
O3C12H20 |
A3B12C20 |
-153.35 |
4.26 |
-10.04 |
0.92 |
0 |
|
|
18285 |
539358 |
1 |
O3C13H22 |
A3B13C22 |
-133.01 |
0.99 |
-9.96 |
0.7 |
0 |
|
|
18286 |
539363 |
1 |
NSO2C8H11 |
ABC2D8E11 |
-74.11 |
1.01 |
-9.39 |
-0.44 |
0 |
|
|
18287 |
539364 |
1 |
O5C16H22 |
A5B16C22 |
-210.76 |
3.58 |
-10.0 |
-0.64 |
0 |
|
|
18288 |
539367 |
1 |
ClO2N3H20C21 |
AB2C3D20E21 |
-23.16 |
1.79 |
-9.12 |
-0.52 |
0 |
|
|
18289 |
539370 |
1 |
BO3C10H19 |
AB3C10D19 |
-224.38 |
5.14 |
-10.12 |
0.6 |
0 |
|
|
18290 |
539371 |
1 |
NOC14H23 |
ABC14D23 |
-65.28 |
1.86 |
-9.49 |
0.57 |
0 |
|
|
18291 |
539403 |
1 |
N3O3C6H7 |
A3B3C6D7 |
-18.83 |
3.64 |
-10.42 |
-1.68 |
0 |
|
|
18292 |
539422 |
1 |
O14C25H30 |
A14B25C30 |
-600.97 |
3.61 |
-8.89 |
-0.14 |
0 |
|
|
18293 |
539423 |
1 |
NOSC8H11 |
ABCD8E11 |
-25.23 |
5.6 |
-8.52 |
-0.62 |
0 |
|
|
18294 |
539477 |
1 |
ClON3C6H6 |
ABC3D6E6 |
-15.05 |
0.53 |
-10.29 |
-1.09 |
0 |
|
|
18295 |
539479 |
2 |
OC8H16 |
AB8C16 |
-165.63 |
2.0 |
-10.79 |
0.95 |
0 |
|
|
18296 |
539480 |
1 |
S3O6C10H14 |
A3B6C10D14 |
-231.34 |
1.71 |
-10.04 |
-1.83 |
0 |
|
|
18297 |
539482 |
1 |
NS2O3C8H15 |
AB2C3D8E15 |
-151.93 |
4.37 |
-9.26 |
-1.4 |
0 |
|
|
18298 |
539483 |
1 |
N2O5C21H22 |
A2B5C21D22 |
-152.61 |
1.94 |
-8.61 |
-0.23 |
0 |
|
|
18299 |
539488 |
1 |
SN2O3C11H14 |
AB2C3D11E14 |
-118.22 |
6.96 |
-8.86 |
-0.44 |
0 |
|
|
18300 |
539492 |
1 |
O4C13H14 |
A4B13C14 |
-148.06 |
3.33 |
-9.49 |
-0.31 |
0 |
|
|
18301 |
539493 |
1 |
ClNOC5H6 |
ABCD5E6 |
-3.13 |
2.18 |
-9.65 |
-0.07 |
0 |
|
|
18302 |
539497 |
2 |
O4C5H8 |
A4B5C8 |
-356.53 |
2.85 |
-10.28 |
0.16 |
0 |
|
|
18303 |
539499 |
1 |
O5C8H14 |
A5B8C14 |
-241.14 |
1.06 |
-10.58 |
0.53 |
0 |
|
|
18304 |
539502 |
1 |
NO4H11C14 |
AB4C11D14 |
-97.17 |
4.8 |
-9.63 |
-1.42 |
0 |
|
|
18305 |
539511 |
1 |
O3C19H32 |
A3B19C32 |
-115.67 |
2.69 |
-9.18 |
0.75 |
0 |
|
|
18306 |
539516 |
1 |
O4C23H32 |
A4B23C32 |
-204.5 |
3.64 |
-9.8 |
-0.31 |
0 |
|
|
18307 |
539521 |
1 |
OC14H22 |
AB14C22 |
-54.85 |
1.84 |
-9.63 |
1.2 |
0 |
|
|
18308 |
539583 |
1 |
O3C12H22 |
A3B12C22 |
-179.06 |
3.13 |
-10.49 |
0.86 |
0 |
|
|
18309 |
539584 |
4 |
OC3H5 |
AB3C5 |
-213.43 |
2.66 |
-10.76 |
0.68 |
0 |
|
|
18310 |
539590 |
1 |
N2O2C11H14 |
A2B2C11D14 |
-82.49 |
2.92 |
-9.0 |
-0.55 |
0 |
|
|
18311 |
539594 |
1 |
SO4C13H14 |
AB4C13D14 |
-153.07 |
3.69 |
-9.08 |
-1.0 |
0 |
|
|
18312 |
539595 |
2 |
O2C7H12 |
A2B7C12 |
-224.09 |
3.08 |
-10.61 |
0.83 |
0 |
|
|
18313 |
539598 |
1 |
INO2C13H18 |
ABC2D13E18 |
-75.46 |
1.39 |
-9.11 |
-1.07 |
0 |
|
|
18314 |
539599 |
1 |
O7C19H28 |
A7B19C28 |
-301.6 |
3.81 |
-10.09 |
-0.08 |
0 |
|
|
18315 |
539602 |
2 |
OC7H11 |
AB7C11 |
-89.29 |
6.67 |
-9.36 |
0.22 |
0 |
|
|
18316 |
539616 |
2 |
NO3C10H17 |
AB3C10D17 |
-298.66 |
1.38 |
-9.33 |
0.22 |
0 |
|
|
18317 |
539617 |
1 |
NO10C24H31 |
AB10C24D31 |
-275.9 |
3.68 |
-9.46 |
-1.52 |
0 |
|
|
18318 |
539618 |
2 |
O2C5H7 |
A2B5C7 |
-155.2 |
1.85 |
-9.96 |
0.65 |
0 |
|
|
18319 |
539619 |
2 |
O2C5H7 |
A2B5C7 |
-189.9 |
3.44 |
-10.29 |
0.4 |
0 |
|
|
18320 |
539620 |
1 |
O4C11H16 |
A4B11C16 |
-157.64 |
3.61 |
-9.9 |
0.47 |
0 |
|
|
18321 |
539621 |
1 |
O3N8C16H22 |
A3B8C16D22 |
-10.24 |
5.09 |
-9.51 |
-1.07 |
0 |
|
|
18322 |
539638 |
1 |
SO10C19H24 |
AB10C19D24 |
-425.04 |
2.92 |
-10.06 |
-0.59 |
0 |