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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
419337 |
135107995 |
1 |
N3O3S3C15H19 |
A3B3C3D15E19 |
-73.7 |
8.54 |
-9.25 |
-0.97 |
0 |
|
|
419338 |
135107996 |
1 |
ClFO2N3C16H19 |
ABC2D3E16F19 |
-91.4 |
5.73 |
-9.08 |
-0.5 |
0 |
|
|
419339 |
135107997 |
1 |
O2N5C14H21 |
A2B5C14D21 |
-47.3 |
3.18 |
-9.25 |
0.01 |
0 |
|
|
419340 |
135107998 |
1 |
ClSN2O5C12H17 |
ABC2D5E12F17 |
-171.26 |
6.78 |
-9.39 |
-0.3 |
0 |
|
|
419341 |
135107999 |
1 |
O2N5C13H17 |
A2B5C13D17 |
4.05 |
4.7 |
-8.37 |
-0.34 |
0 |
|
|
419342 |
135108000 |
1 |
NSO3C20H23 |
ABC3D20E23 |
-84.62 |
6.82 |
-8.92 |
-0.12 |
0 |
|
|
419344 |
135108012 |
1 |
O2N3C18H21 |
A2B3C18D21 |
-22.64 |
5.75 |
-8.35 |
-0.04 |
0 |
|
|
419345 |
135108013 |
1 |
O4N5C19H25 |
A4B5C19D25 |
-72.56 |
5.17 |
-8.58 |
-0.44 |
0 |
|
|
419346 |
135108014 |
1 |
ON4C18H26 |
AB4C18D26 |
-9.91 |
3.02 |
-9.04 |
0.29 |
0 |
|
|
419347 |
135108015 |
1 |
N3O5C19H31 |
A3B5C19D31 |
-239.49 |
3.08 |
-9.72 |
0.4 |
0 |
|
|
419348 |
135108016 |
1 |
ClN2O4C18H21 |
AB2C4D18E21 |
-104.15 |
4.06 |
-9.57 |
-1.35 |
0 |
|
|
419349 |
135108017 |
1 |
O4N7C37H45 |
A4B7C37D45 |
-128.58 |
9.84 |
-8.14 |
-0.66 |
0 |
|
|
419350 |
135108018 |
1 |
N3O3C20H27 |
A3B3C20D27 |
-59.16 |
2.47 |
-8.71 |
-1.18 |
0 |
|
|
419351 |
135108019 |
1 |
NSO2C17H25 |
ABC2D17E25 |
-84.65 |
3.94 |
-8.61 |
0.08 |
0 |
|
|
419352 |
135108020 |
1 |
N3O4C18H31 |
A3B4C18D31 |
-186.28 |
2.61 |
-8.66 |
0.46 |
0 |
|
|
419353 |
135108021 |
1 |
SO2F3N4C21H23 |
AB2C3D4E21F23 |
-185.31 |
5.85 |
-9.23 |
-0.44 |
0 |
|
|
419354 |
135108022 |
1 |
SF3N4O4C13H19 |
AB3C4D4E13F19 |
-288.26 |
6.82 |
-9.95 |
-0.83 |
0 |
|
|
419355 |
135108023 |
1 |
ON6C20H28 |
AB6C20D28 |
13.51 |
4.08 |
-8.59 |
-0.05 |
0 |
|
|
419356 |
135108024 |
1 |
N5O6C33H39 |
A5B6C33D39 |
-197.31 |
4.77 |
-9.35 |
-0.92 |
0 |
|
|
419357 |
135108033 |
1 |
ON5C23H25 |
AB5C23D25 |
39.55 |
3.45 |
-8.58 |
-0.98 |
0 |
|
|
419358 |
135108034 |
1 |
O3N5C21H25 |
A3B5C21D25 |
-61.73 |
6.27 |
-9.22 |
-1.01 |
0 |
|
|
419359 |
135108035 |
1 |
ON5C21H35 |
AB5C21D35 |
-41.08 |
2.69 |
-8.53 |
0.36 |
0 |
|
|
419360 |
135108036 |
1 |
SN2O4C17H22 |
AB2C4D17E22 |
-138.44 |
6.7 |
-9.8 |
-1.17 |
0 |
|
|
419361 |
135108037 |
1 |
SN3O4C18H27 |
AB3C4D18E27 |
-150.48 |
3.94 |
-8.81 |
-1.05 |
0 |
|
|
419362 |
135108038 |
1 |
O3N4C20H26 |
A3B4C20D26 |
-72.48 |
9.53 |
-9.12 |
-0.07 |
0 |
|
|
419363 |
135108039 |
1 |
N5O6C31H35 |
A5B6C31D35 |
-160.33 |
0.91 |
-9.09 |
-0.91 |
0 |
|
|
419364 |
135108040 |
1 |
FNOCl2C17H22 |
ABCD2E17F22 |
-101.94 |
2.07 |
-9.0 |
-0.53 |
0 |
|
|
419366 |
135108042 |
1 |
ClO2N3C20H24 |
AB2C3D20E24 |
-55.43 |
3.63 |
-9.42 |
-0.44 |
0 |
|
|
419367 |
135108043 |
1 |
F2N2C19H28 |
A2B2C19D28 |
-91.51 |
2.2 |
-8.65 |
-0.02 |
0 |
|
|
419368 |
135108050 |
1 |
ClN4O6C26H33 |
AB4C6D26E33 |
-220.96 |
7.19 |
-8.96 |
-0.74 |
0 |
|
|
419369 |
135108051 |
1 |
SN6C17H20 |
AB6C17D20 |
89.59 |
4.22 |
-8.84 |
-0.2 |
0 |
|
|
419370 |
135108052 |
1 |
ClFN5O5C34H47 |
ABC5D5E34F47 |
-247.05 |
4.68 |
-8.93 |
-0.55 |
0 |
|
|
419371 |
135108053 |
1 |
O2N4C19H30 |
A2B4C19D30 |
-78.58 |
1.72 |
-9.38 |
-0.88 |
0 |
|
|
419372 |
135108054 |
1 |
N4O5C20H32 |
A4B5C20D32 |
-209.22 |
5.82 |
-9.51 |
0.1 |
0 |
|
|
419373 |
135108055 |
1 |
SO3N5C13H21 |
AB3C5D13E21 |
-75.25 |
3.03 |
-9.48 |
-0.86 |
0 |
|
|
419375 |
135108057 |
1 |
FNO3C24H28 |
ABC3D24E28 |
-140.02 |
3.26 |
-9.14 |
-0.27 |
0 |
|
|
419376 |
135108058 |
1 |
O2N3C18H29 |
A2B3C18D29 |
-73.89 |
3.3 |
-8.89 |
0.03 |
0 |
|
|
419377 |
135108059 |
1 |
N2O3C17H24 |
A2B3C17D24 |
-136.94 |
5.93 |
-8.85 |
-0.64 |
0 |
|
|
419378 |
135108060 |
1 |
ClN2S2O4C12H17 |
AB2C2D4E12F17 |
-139.32 |
5.32 |
-9.57 |
-0.91 |
0 |
|
|
419379 |
135108061 |
1 |
N2O4C21H30 |
A2B4C21D30 |
-171.15 |
4.15 |
-9.02 |
0.03 |
0 |
|
|
419380 |
135108062 |
1 |
N7O7C36H47 |
A7B7C36D47 |
-295.42 |
3.49 |
-9.5 |
-0.44 |
0 |
|
|
419381 |
135108063 |
1 |
ClON3C21H26 |
ABC3D21E26 |
-7.28 |
0.99 |
-8.51 |
-0.2 |
0 |
|
|
419382 |
135108064 |
1 |
SN2O4C20H34 |
AB2C4D20E34 |
-222.9 |
1.14 |
-8.83 |
0.18 |
0 |
|
|
419383 |
135108070 |
1 |
N2O3C19H28 |
A2B3C19D28 |
-113.22 |
3.87 |
-8.86 |
-0.2 |
0 |
|
|
419384 |
135108071 |
1 |
ClN3O3C19H26 |
AB3C3D19E26 |
-120.24 |
5.78 |
-9.15 |
-0.42 |
0 |
|
|
419385 |
135108102 |
1 |
N2O3C21H26 |
A2B3C21D26 |
-91.64 |
6.31 |
-8.53 |
-0.56 |
0 |
|
|
419386 |
135108103 |
1 |
FNO4C14H16 |
ABC4D14E16 |
-209.91 |
5.62 |
-9.74 |
-0.58 |
0 |
|
|
419387 |
135108104 |
1 |
O4N5C40H47 |
A4B5C40D47 |
-128.23 |
5.81 |
-8.65 |
-0.2 |
0 |
|
|
419389 |
135108106 |
1 |
N2O4C21H24 |
A2B4C21D24 |
-132.9 |
4.87 |
-8.23 |
-0.28 |
0 |
|
|
419390 |
135108107 |
1 |
N3O4C24H29 |
A3B4C24D29 |
-123.1 |
6.78 |
-9.56 |
-0.64 |
0 |
|
|
419391 |
135108108 |
1 |
SN3O5C18H25 |
AB3C5D18E25 |
-177.59 |
4.74 |
-8.84 |
-1.17 |
0 |
|
|
419392 |
135108109 |
1 |
O2N5C16H23 |
A2B5C16D23 |
-36.01 |
6.85 |
-9.1 |
-0.44 |
0 |
|
|
419393 |
135108110 |
1 |
N3O4C17H21 |
A3B4C17D21 |
-74.76 |
5.72 |
-9.0 |
-0.17 |
0 |
|
|
419394 |
135108111 |
1 |
ON5C16H23 |
AB5C16D23 |
11.5 |
1.76 |
-8.79 |
-0.25 |
0 |
|
|
419395 |
135108112 |
1 |
ClSN3O3C16H18 |
ABC3D3E16F18 |
-60.81 |
4.25 |
-8.41 |
-0.19 |
0 |
|
|
419396 |
135108114 |
1 |
ClN2O4C18H23 |
AB2C4D18E23 |
-158.94 |
4.25 |
-9.03 |
-0.43 |
0 |
|
|
419397 |
135108116 |
1 |
SO2N3C22H23 |
AB2C3D22E23 |
2.57 |
5.59 |
-8.8 |
-0.45 |
0 |
|
|
419398 |
135108117 |
1 |
FNO3C15H20 |
ABC3D15E20 |
-182.08 |
5.96 |
-9.29 |
0.13 |
0 |
|
|
419399 |
135108118 |
1 |
ClFSN2O4C14H18 |
ABCD2E4F14G18 |
-198.77 |
2.83 |
-9.77 |
-1.08 |
0 |
|
|
419400 |
135108119 |
1 |
FN2O5C16H17 |
AB2C5D16E17 |
-174.49 |
5.06 |
-9.38 |
-1.39 |
0 |
|
|
419401 |
135108120 |
1 |
SN2O2C22H24 |
AB2C2D22E24 |
-17.95 |
1.89 |
-7.88 |
-0.16 |
0 |
|
|
419402 |
135108121 |
1 |
O2N4C19H26 |
A2B4C19D26 |
-43.42 |
4.36 |
-9.21 |
-0.29 |
0 |
|
|
419403 |
135108122 |
1 |
ON5C21H25 |
AB5C21D25 |
23.27 |
6.32 |
-8.6 |
-0.4 |
0 |
|
|
419404 |
135108123 |
1 |
O4N5C23H31 |
A4B5C23D31 |
-80.94 |
7.08 |
-8.95 |
-0.71 |
0 |
|
|
419405 |
135108124 |
1 |
N3O7C29H33 |
A3B7C29D33 |
-109.93 |
1.81 |
-8.16 |
-1.09 |
0 |
|
|
419406 |
135108125 |
1 |
N3O3C13H21 |
A3B3C13D21 |
-105.25 |
5.14 |
-8.83 |
-0.37 |
0 |
|
|
419407 |
135108126 |
1 |
OF3N3C20H22 |
AB3C3D20E22 |
-159.31 |
2.43 |
-9.07 |
-0.38 |
0 |
|
|
419408 |
135108127 |
1 |
N2O4C19H28 |
A2B4C19D28 |
-153.17 |
6.15 |
-8.36 |
0.1 |
0 |
|
|
419409 |
135108128 |
1 |
NSO4C18H27 |
ABC4D18E27 |
-167.75 |
6.8 |
-8.97 |
-0.26 |
0 |
|
|
419410 |
135108129 |
1 |
SN3O4C17H23 |
AB3C4D17E23 |
-136.56 |
5.82 |
-8.83 |
-0.71 |
0 |
|
|
419412 |
135108131 |
1 |
O6N7C35H37 |
A6B7C35D37 |
-148.44 |
5.89 |
-8.72 |
-0.73 |
0 |
|
|
419413 |
135108132 |
1 |
N3O5C21H27 |
A3B5C21D27 |
-162.28 |
7.09 |
-9.51 |
-0.76 |
0 |
|
|
419414 |
135108133 |
2 |
ON2C9H13 |
AB2C9D13 |
-48.14 |
7.64 |
-8.33 |
0.06 |
0 |
|
|
419415 |
135108134 |
2 |
NO2C11H15 |
AB2C11D15 |
-175.46 |
5.59 |
-8.92 |
0.14 |
0 |
|
|
419416 |
135108135 |
1 |
ON4C22H26 |
AB4C22D26 |
7.74 |
1.64 |
-9.22 |
-0.84 |
0 |
|
|
419417 |
135108136 |
1 |
SN2O6C15H22 |
AB2C6D15E22 |
-220.55 |
4.89 |
-8.75 |
-0.25 |
0 |
|
|
419418 |
135108137 |
1 |
ON5C15H25 |
AB5C15D25 |
-14.24 |
3.52 |
-8.59 |
0.23 |
0 |
|
|
419419 |
135108138 |
1 |
ClN3O3C19H20 |
AB3C3D19E20 |
-44.25 |
1.74 |
-8.98 |
-0.85 |
0 |
|
|
419420 |
135108139 |
1 |
SF2N2O4C16H22 |
AB2C2D4E16F22 |
-250.79 |
5.0 |
-9.81 |
-0.38 |
0 |
|
|
419421 |
135108145 |
1 |
FN3O4C18H22 |
AB3C4D18E22 |
-133.55 |
3.27 |
-9.07 |
-1.45 |
0 |
|
|
419422 |
135108146 |
1 |
FSN2O2C21H25 |
ABC2D2E21F25 |
-61.45 |
4.21 |
-8.72 |
-0.67 |
0 |
|
|
419423 |
135108148 |
1 |
O5N6C36H48 |
A5B6C36D48 |
-164.4 |
8.39 |
-8.2 |
-0.32 |
0 |
|
|
419424 |
135108158 |
1 |
SN4O5C13H20 |
AB4C5D13E20 |
-177.16 |
6.72 |
-9.75 |
-0.98 |
0 |
|
|
419425 |
135108159 |
1 |
NOCl2C16H21 |
ABC2D16E21 |
-59.22 |
4.45 |
-9.0 |
-0.3 |
0 |
|
|
419426 |
135108160 |
1 |
O4N7C31H41 |
A4B7C31D41 |
-141.39 |
4.15 |
-8.54 |
-0.14 |
0 |
|
|
419427 |
135108161 |
1 |
N3O3C20H23 |
A3B3C20D23 |
-48.54 |
5.05 |
-9.23 |
-0.04 |
0 |
|
|
419429 |
135108163 |
1 |
SO2N3C14H19 |
AB2C3D14E19 |
15.14 |
4.74 |
-8.2 |
-0.51 |
0 |
|
|
419430 |
135108167 |
1 |
N6O8C35H44 |
A6B8C35D44 |
-206.84 |
5.24 |
-8.14 |
-0.97 |
0 |
|
|
419431 |
135108176 |
1 |
N7C17H27 |
A7B17C27 |
47.87 |
6.74 |
-8.55 |
0.21 |
0 |
|
|
419432 |
135108178 |
1 |
O3N4C19H24 |
A3B4C19D24 |
-45.13 |
3.48 |
-9.21 |
-0.94 |
0 |
|
|
419433 |
135108179 |
1 |
ClN6C15H21 |
AB6C15D21 |
86.68 |
6.2 |
-9.19 |
-0.31 |
0 |
|
|
419434 |
135108180 |
1 |
SN2O2C18H20 |
AB2C2D18E20 |
-30.0 |
3.16 |
-8.47 |
-0.57 |
0 |
|
|
419435 |
135108181 |
1 |
O2N3H21C23 |
A2B3C21D23 |
-3.71 |
3.87 |
-8.73 |
-0.76 |
0 |
|
|
419436 |
135108182 |
1 |
ClFN6O6C32H40 |
ABC6D6E32F40 |
-274.88 |
5.62 |
-9.4 |
-0.74 |
0 |
|
|
419437 |
135108183 |
1 |
O3N5C17H23 |
A3B5C17D23 |
-94.62 |
5.7 |
-9.08 |
-0.15 |
0 |
|
|
419438 |
135108184 |
1 |
NO4C22H31 |
AB4C22D31 |
-193.87 |
6.55 |
-9.62 |
-0.34 |
0 |
|
|
419439 |
135108185 |
1 |
N2O3C15H24 |
A2B3C15D24 |
-127.74 |
4.5 |
-8.86 |
0.84 |
0 |
|
|
419440 |
135108186 |
1 |
O3N5C38H47 |
A3B5C38D47 |
-56.05 |
8.34 |
-8.78 |
-0.18 |
0 |
|
|
419441 |
135108187 |
1 |
O2N5C23H33 |
A2B5C23D33 |
-58.29 |
6.95 |
-8.4 |
0.3 |
0 |
|
|
419442 |
135108188 |
1 |
N2O3C14H20 |
A2B3C14D20 |
-107.61 |
3.75 |
-9.99 |
-0.28 |
0 |