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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
78252 |
49684219 |
1 |
ClFSN2O3C19H24 |
ABCD2E3F19G24 |
-141.15 |
3.35 |
-8.63 |
-1.12 |
0 |
|
|
78253 |
49684220 |
1 |
SN2O3C23H32 |
AB2C3D23E32 |
-106.54 |
6.06 |
-8.63 |
-0.4 |
0 |
|
|
78254 |
49684221 |
1 |
SN2O3C23H34 |
AB2C3D23E34 |
-111.42 |
5.45 |
-8.53 |
-0.39 |
0 |
|
|
78255 |
49684222 |
1 |
SN2O3C23H34 |
AB2C3D23E34 |
-123.18 |
4.32 |
-8.54 |
-0.27 |
0 |
|
|
78256 |
49684223 |
1 |
SN3O4C21H29 |
AB3C4D21E29 |
-140.08 |
7.4 |
-8.54 |
-0.64 |
0 |
|
|
78257 |
49684224 |
1 |
SN2O5C21H28 |
AB2C5D21E28 |
-158.57 |
5.96 |
-8.57 |
-0.62 |
0 |
|
|
78258 |
49684225 |
1 |
SN2O4C22H32 |
AB2C4D22E32 |
-151.19 |
6.39 |
-8.62 |
-0.32 |
0 |
|
|
78259 |
49684226 |
1 |
SN2O4C22H32 |
AB2C4D22E32 |
-144.97 |
5.45 |
-8.53 |
-0.52 |
0 |
|
|
78260 |
49684227 |
1 |
SN2O4C22H32 |
AB2C4D22E32 |
-147.05 |
7.73 |
-8.5 |
-0.3 |
0 |
|
|
78261 |
49684228 |
1 |
SN2O4C22H32 |
AB2C4D22E32 |
-144.43 |
6.0 |
-8.6 |
-0.37 |
0 |
|
|
78262 |
49684230 |
1 |
SN2O4C22H32 |
AB2C4D22E32 |
-143.36 |
7.21 |
-8.58 |
-0.47 |
0 |
|
|
78263 |
49684233 |
1 |
SN2O5C21H30 |
AB2C5D21E30 |
-163.33 |
8.97 |
-8.44 |
-0.74 |
0 |
|
|
78264 |
49684234 |
1 |
SN2O5C21H30 |
AB2C5D21E30 |
-160.98 |
5.96 |
-8.45 |
-0.59 |
0 |
|
|
78265 |
49684236 |
1 |
FSN2O4C21H29 |
ABC2D4E21F29 |
-183.3 |
6.17 |
-8.59 |
-0.69 |
0 |
|
|
78266 |
49684238 |
1 |
ClSN2O4C20H27 |
ABC2D4E20F27 |
-134.98 |
7.78 |
-8.73 |
-0.91 |
0 |
|
|
78267 |
49684239 |
1 |
SN2F3O3C20H25 |
AB2C3D3E20F25 |
-245.05 |
3.04 |
-8.7 |
-1.34 |
0 |
|
|
78268 |
49684240 |
1 |
SN2F3O3C20H25 |
AB2C3D3E20F25 |
-247.87 |
4.26 |
-8.63 |
-1.15 |
0 |
|
|
78269 |
49684241 |
1 |
SCl2N2O3C19H24 |
AB2C2D3E19F24 |
-96.38 |
4.9 |
-8.59 |
-1.14 |
0 |
|
|
78270 |
49684242 |
1 |
SN2O3C24H36 |
AB2C3D24E36 |
-128.5 |
5.89 |
-8.56 |
-0.16 |
0 |
|
|
78271 |
49684243 |
1 |
SN3O4C22H31 |
AB3C4D22E31 |
-145.6 |
6.73 |
-8.58 |
-0.62 |
0 |
|
|
78272 |
49684244 |
1 |
SN3O4C22H31 |
AB3C4D22E31 |
-151.97 |
6.47 |
-8.56 |
-0.55 |
0 |
|
|
78273 |
49684245 |
1 |
SN2O4C23H34 |
AB2C4D23E34 |
-145.74 |
6.91 |
-8.61 |
-0.34 |
0 |
|
|
78274 |
49684246 |
1 |
SN2O4C23H34 |
AB2C4D23E34 |
-152.37 |
7.95 |
-8.56 |
-0.31 |
0 |
|
|
78275 |
49684247 |
1 |
SN2O4C23H34 |
AB2C4D23E34 |
-152.96 |
4.52 |
-8.58 |
-0.51 |
0 |
|
|
78276 |
49684251 |
1 |
SN2F3O4C20H25 |
AB2C3D4E20F25 |
-289.11 |
3.51 |
-8.68 |
-1.01 |
0 |
|
|
78277 |
49684252 |
1 |
BrN2S2O3C17H23 |
AB2C2D3E17F23 |
-67.23 |
4.7 |
-8.66 |
-1.26 |
0 |
|
|
78278 |
49684255 |
1 |
SN3O4C23H33 |
AB3C4D23E33 |
-158.39 |
5.88 |
-8.56 |
-0.51 |
0 |
|
|
78279 |
49684258 |
1 |
O2S2N3C16H23 |
A2B2C3D16E23 |
-29.31 |
6.57 |
-8.45 |
-0.99 |
0 |
|
|
78280 |
49684259 |
1 |
SO2N3C19H27 |
AB2C3D19E27 |
-48.21 |
6.03 |
-8.53 |
-0.46 |
0 |
|
|
78281 |
49684260 |
1 |
SO2N3C19H27 |
AB2C3D19E27 |
-47.06 |
5.22 |
-8.51 |
-0.53 |
0 |
|
|
78282 |
49684262 |
1 |
FSO2N3C18H24 |
ABC2D3E18F24 |
-81.35 |
4.1 |
-8.53 |
-0.85 |
0 |
|
|
78283 |
49684264 |
1 |
FSO2N3C18H24 |
ABC2D3E18F24 |
-83.38 |
4.76 |
-8.53 |
-0.93 |
0 |
|
|
78284 |
49684265 |
1 |
SO3N4C17H26 |
AB3C4D17E26 |
-64.94 |
3.0 |
-8.55 |
-0.49 |
0 |
|
|
78285 |
49684270 |
1 |
SO2N3C20H29 |
AB2C3D20E29 |
-60.15 |
4.17 |
-8.5 |
-0.29 |
0 |
|
|
78286 |
49684272 |
1 |
SO2N3C20H29 |
AB2C3D20E29 |
-58.21 |
3.95 |
-8.52 |
-0.42 |
0 |
|
|
78287 |
49684287 |
1 |
SF2O2N3C18H23 |
AB2C2D3E18F23 |
-132.55 |
6.63 |
-8.5 |
-1.13 |
0 |
|
|
78288 |
49684291 |
1 |
SN3O3C20H27 |
AB3C3D20E27 |
-78.4 |
5.38 |
-8.51 |
-1.06 |
0 |
|
|
78289 |
49684295 |
1 |
SO2N3C21H31 |
AB2C3D21E31 |
-54.25 |
8.09 |
-8.43 |
-0.45 |
0 |
|
|
78290 |
49684311 |
1 |
ClSO2N3C19H26 |
ABC2D3E19F26 |
-51.27 |
4.09 |
-8.47 |
-0.4 |
0 |
|
|
78291 |
49684317 |
1 |
SO2N3C22H33 |
AB2C3D22E33 |
-73.0 |
3.23 |
-8.47 |
-0.3 |
0 |
|
|
78292 |
49684320 |
1 |
SN3O3C21H31 |
AB3C3D21E31 |
-95.93 |
5.65 |
-8.6 |
-0.32 |
0 |
|
|
78293 |
49684326 |
1 |
SN3O3C21H31 |
AB3C3D21E31 |
-90.04 |
3.17 |
-8.5 |
0.07 |
0 |
|
|
78294 |
49684330 |
1 |
SN3O4C20H29 |
AB3C4D20E29 |
-119.29 |
4.29 |
-8.49 |
-0.33 |
0 |
|
|
78295 |
49684331 |
1 |
FSN3O3C20H28 |
ABC3D3E20F28 |
-129.55 |
4.59 |
-8.48 |
-0.68 |
0 |
|
|
78296 |
49684332 |
1 |
ClSN3O3C19H26 |
ABC3D3E19F26 |
-78.27 |
5.01 |
-8.5 |
-0.61 |
0 |
|
|
78297 |
49684336 |
1 |
SCl2O2N3C18H23 |
AB2C2D3E18F23 |
-50.82 |
2.41 |
-8.52 |
-1.16 |
0 |
|
|
78298 |
49684349 |
1 |
SO3N4C22H32 |
AB3C4D22E32 |
-99.65 |
6.04 |
-8.47 |
-0.65 |
0 |
|
|
78299 |
49684362 |
1 |
SO2N3C19H23 |
AB2C3D19E23 |
-11.23 |
4.86 |
-8.42 |
-0.92 |
0 |
|
|
78300 |
49684363 |
1 |
SO2N3C19H25 |
AB2C3D19E25 |
-40.12 |
4.86 |
-8.47 |
-0.49 |
0 |
|
|
78301 |
49684369 |
1 |
SN3O3C18H23 |
AB3C3D18E23 |
-63.79 |
3.59 |
-8.49 |
-0.7 |
0 |
|
|
78302 |
49684371 |
1 |
SN3O3C18H23 |
AB3C3D18E23 |
-67.82 |
4.76 |
-8.4 |
-0.43 |
0 |
|
|
78303 |
49684374 |
1 |
FSO2N3C18H22 |
ABC2D3E18F22 |
-81.01 |
3.29 |
-8.47 |
-0.84 |
0 |
|
|
78304 |
49684376 |
1 |
ClSO2N3C17H20 |
ABC2D3E17F20 |
-32.81 |
3.82 |
-8.54 |
-1.0 |
0 |
|
|
78305 |
49684378 |
1 |
ClSO2N3C17H20 |
ABC2D3E17F20 |
-34.03 |
3.58 |
-8.53 |
-1.02 |
0 |
|
|
78306 |
49684380 |
1 |
SF2O2N3C17H19 |
AB2C2D3E17F19 |
-116.51 |
3.57 |
-8.57 |
-1.26 |
0 |
|
|
78307 |
49684381 |
1 |
SF2O2N3C17H19 |
AB2C2D3E17F19 |
-116.84 |
4.02 |
-8.51 |
-1.21 |
0 |
|
|
78308 |
49684387 |
1 |
SO2N3C20H27 |
AB2C3D20E27 |
-47.28 |
5.26 |
-8.54 |
-0.46 |
0 |
|
|
78309 |
49684394 |
1 |
SN3O3C19H25 |
AB3C3D19E25 |
-74.88 |
6.72 |
-8.43 |
-0.45 |
0 |
|
|
78310 |
49684397 |
1 |
SN4O4C17H20 |
AB4C4D17E20 |
-25.52 |
4.77 |
-8.68 |
-1.91 |
0 |
|
|
78311 |
49684398 |
1 |
SN4O4C17H20 |
AB4C4D17E20 |
-27.58 |
3.71 |
-8.61 |
-1.8 |
0 |
|
|
78312 |
49684400 |
1 |
FSN3O3C18H22 |
ABC3D3E18F22 |
-110.43 |
6.87 |
-8.45 |
-0.94 |
0 |
|
|
78313 |
49684401 |
1 |
ClSO2N3C18H22 |
ABC2D3E18F22 |
-43.39 |
3.04 |
-8.48 |
-0.8 |
0 |
|
|
78314 |
49684402 |
1 |
ClSO2N3C18H22 |
ABC2D3E18F22 |
-44.2 |
6.13 |
-8.48 |
-0.81 |
0 |
|
|
78315 |
49684416 |
1 |
SN3O3C20H27 |
AB3C3D20E27 |
-83.63 |
6.2 |
-8.43 |
-0.58 |
0 |
|
|
78316 |
49684417 |
1 |
SN3O3C20H27 |
AB3C3D20E27 |
-82.15 |
6.06 |
-8.43 |
-0.44 |
0 |
|
|
78317 |
49684437 |
1 |
SN3O3C21H29 |
AB3C3D21E29 |
-86.15 |
5.03 |
-8.49 |
-0.56 |
0 |
|
|
78318 |
49684439 |
1 |
BrSO2N3C17H20 |
ABC2D3E17F20 |
-21.52 |
3.46 |
-8.52 |
-1.07 |
0 |
|
|
78319 |
49684448 |
2 |
OSN2C7H9 |
ABC2D7E9 |
-8.66 |
4.44 |
-8.9 |
-1.03 |
0 |
|
|
78320 |
49684452 |
1 |
FSO2N4C16H19 |
ABC2D4E16F19 |
-65.39 |
3.85 |
-8.94 |
-0.88 |
0 |
|
|
78321 |
49684455 |
1 |
O2S2N4C15H20 |
A2B2C4D15E20 |
-19.75 |
5.09 |
-8.64 |
-0.88 |
0 |
|
|
78322 |
49684461 |
1 |
SO2N4C18H24 |
AB2C4D18E24 |
-35.68 |
4.16 |
-8.64 |
-0.54 |
0 |
|
|
78323 |
49684475 |
1 |
SF2O2N4C16H18 |
AB2C2D4E16F18 |
-107.39 |
3.77 |
-8.75 |
-1.26 |
0 |
|
|
78324 |
49684484 |
1 |
SO2N4C19H26 |
AB2C4D19E26 |
-35.33 |
4.54 |
-8.61 |
-0.53 |
0 |
|
|
78325 |
49688231 |
1 |
SN3O5C13H21 |
AB3C5D13E21 |
-232.93 |
2.8 |
-9.51 |
-0.45 |
0 |
|
|
78326 |
49688239 |
1 |
SN2O3C17H26 |
AB2C3D17E26 |
-148.01 |
0.56 |
-9.37 |
0.13 |
0 |
|
|
78327 |
49688251 |
1 |
SN2O4C16H24 |
AB2C4D16E24 |
-160.62 |
6.12 |
-8.95 |
-0.02 |
0 |
|
|
78328 |
49688252 |
1 |
SN3O5C14H19 |
AB3C5D14E19 |
-121.07 |
3.52 |
-9.66 |
-1.67 |
0 |
|
|
78329 |
49688257 |
1 |
FSN2O4C15H21 |
ABC2D4E15F21 |
-195.35 |
5.57 |
-9.54 |
-0.46 |
0 |
|
|
78330 |
49688258 |
1 |
FSN2O4C15H21 |
ABC2D4E15F21 |
-202.38 |
2.7 |
-9.37 |
-0.48 |
0 |
|
|
78331 |
49688261 |
1 |
SN2O3C18H22 |
AB2C3D18E22 |
-94.28 |
7.77 |
-9.16 |
-0.95 |
0 |
|
|
78332 |
49688267 |
1 |
SN2O3C18H28 |
AB2C3D18E28 |
-141.81 |
4.97 |
-9.4 |
-0.24 |
0 |
|
|
78333 |
49688357 |
1 |
SN3O5C19H27 |
AB3C5D19E27 |
-196.99 |
2.2 |
-8.54 |
-0.18 |
0 |
|
|
78334 |
49688358 |
1 |
BrClSN2O3C14H18 |
ABCD2E3F14G18 |
-122.82 |
3.19 |
-9.52 |
-1.02 |
0 |
|
|
78335 |
49688359 |
1 |
ClSN3O4C18H22 |
ABC3D4E18F22 |
-108.67 |
3.93 |
-9.6 |
-0.74 |
0 |
|
|
78336 |
49688389 |
1 |
SN3O3C16H25 |
AB3C3D16E25 |
-133.65 |
6.9 |
-8.51 |
0.33 |
0 |
|
|
78337 |
49688395 |
1 |
ClSN3O3C14H20 |
ABC3D3E14F20 |
-128.5 |
1.94 |
-8.81 |
-0.16 |
0 |
|
|
78338 |
49688408 |
1 |
SN3O5C16H25 |
AB3C5D16E25 |
-205.55 |
3.17 |
-8.86 |
0.18 |
0 |
|
|
78339 |
49688532 |
2 |
NO2C12H15 |
AB2C12D15 |
-135.64 |
5.45 |
-8.72 |
0.2 |
0 |
|
|
78340 |
49688533 |
2 |
NO2C12H15 |
AB2C12D15 |
-137.9 |
5.15 |
-8.87 |
0.0 |
0 |
|
|
78341 |
49688534 |
1 |
N2O3C25H34 |
A2B3C25D34 |
-139.57 |
5.91 |
-9.02 |
0.14 |
0 |
|
|
78342 |
49688535 |
1 |
N3O5C22H25 |
A3B5C22D25 |
-96.87 |
4.33 |
-9.12 |
-1.56 |
0 |
|
|
78343 |
49688537 |
1 |
N3O5C22H25 |
A3B5C22D25 |
-96.12 |
0.99 |
-9.18 |
-1.55 |
0 |
|
|
78344 |
49688540 |
1 |
N2O5C23H28 |
A2B5C23D28 |
-160.83 |
8.78 |
-8.87 |
-0.5 |
0 |
|
|
78345 |
49688578 |
1 |
BrN2O3C21H23 |
AB2C3D21E23 |
-78.76 |
4.12 |
-9.02 |
-0.79 |
0 |
|
|
78346 |
49688584 |
2 |
NO2C13H14 |
AB2C13D14 |
-108.1 |
4.71 |
-8.88 |
-0.74 |
0 |
|
|
78347 |
49688631 |
1 |
N3O3C19H29 |
A3B3C19D29 |
-134.13 |
2.0 |
-9.14 |
0.04 |
0 |
|
|
78348 |
49688680 |
1 |
N2O3C12H20 |
A2B3C12D20 |
-129.63 |
1.89 |
-9.53 |
0.67 |
0 |
|
|
78349 |
49688681 |
1 |
N2O3C12H22 |
A2B3C12D22 |
-161.62 |
5.78 |
-9.32 |
0.95 |
0 |
|
|
78350 |
49688682 |
1 |
N2O3C12H22 |
A2B3C12D22 |
-164.81 |
5.6 |
-9.46 |
1.01 |
0 |
|
|
78351 |
49688699 |
1 |
N3O3C14H19 |
A3B3C14D19 |
-109.2 |
5.34 |
-9.7 |
-0.83 |
0 |