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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
121262 |
50760998 |
1 |
SO2F4N4H8C17 |
AB2C4D4E8F17 |
-161.55 |
3.68 |
-9.1 |
-1.84 |
0 |
|
|
121263 |
50760999 |
1 |
SO2N4H20C21 |
AB2C4D20E21 |
-2.15 |
2.13 |
-8.78 |
-1.45 |
0 |
|
|
121264 |
50761000 |
1 |
SO2N4H16C19 |
AB2C4D16E19 |
1.29 |
2.19 |
-8.94 |
-1.65 |
0 |
|
|
121265 |
50761098 |
1 |
O2N4H26C27 |
A2B4C26D27 |
-6.02 |
7.91 |
-8.57 |
-0.93 |
0 |
|
|
121266 |
50761099 |
1 |
O2N4H26C27 |
A2B4C26D27 |
1.39 |
8.31 |
-8.83 |
-0.84 |
0 |
|
|
121267 |
50761100 |
1 |
O3N4C28H28 |
A3B4C28D28 |
-34.93 |
4.45 |
-8.92 |
-0.9 |
0 |
|
|
121268 |
50761236 |
1 |
FO3N5C15H16 |
AB3C5D15E16 |
-36.85 |
4.11 |
-9.54 |
-1.95 |
0 |
|
|
121269 |
50761239 |
1 |
N5O5C17H21 |
A5B5C17D21 |
-60.3 |
3.55 |
-8.51 |
-1.73 |
0 |
|
|
121270 |
50761268 |
1 |
F2O3N5C15H15 |
A2B3C5D15E15 |
-83.41 |
2.24 |
-9.71 |
-1.9 |
0 |
|
|
121271 |
50761334 |
1 |
O3N5C16H19 |
A3B5C16D19 |
2.69 |
4.27 |
-9.33 |
-1.6 |
0 |
|
|
121272 |
50761355 |
1 |
SN3O3C17H21 |
AB3C3D17E21 |
-99.95 |
4.26 |
-8.67 |
-1.16 |
0 |
|
|
121273 |
50761356 |
1 |
SN3O3C16H19 |
AB3C3D16E19 |
-89.09 |
4.34 |
-8.68 |
-1.14 |
0 |
|
|
121274 |
50761462 |
1 |
FOSN3H16C18 |
ABCD3E16F18 |
-16.43 |
5.29 |
-8.54 |
-0.86 |
0 |
|
|
121275 |
50761463 |
1 |
FSN3O3H14C18 |
ABC3D3E14F18 |
-83.51 |
5.19 |
-8.65 |
-1.1 |
0 |
|
|
121276 |
50761464 |
1 |
SN3O4C19H19 |
AB3C4D19E19 |
-84.07 |
3.46 |
-8.32 |
-0.68 |
0 |
|
|
121277 |
50761481 |
1 |
ClOSF2N3H10C16 |
ABCD2E3F10G16 |
-55.18 |
2.84 |
-8.78 |
-1.18 |
0 |
|
|
121278 |
50761482 |
1 |
SN3O3H17C19 |
AB3C3D17E19 |
-46.25 |
6.64 |
-8.55 |
-0.96 |
0 |
|
|
121279 |
50761501 |
1 |
SO2N3H17C18 |
AB2C3D17E18 |
-5.72 |
5.53 |
-8.18 |
-0.54 |
0 |
|
|
121280 |
50761574 |
1 |
SO3N5C20H23 |
AB3C5D20E23 |
-36.57 |
3.75 |
-9.18 |
-1.52 |
0 |
|
|
121281 |
50761660 |
1 |
SO2N5C22H25 |
AB2C5D22E25 |
-14.66 |
3.15 |
-8.89 |
-1.53 |
0 |
|
|
121282 |
50761661 |
1 |
SO4N5C24H27 |
AB4C5D24E27 |
-76.41 |
3.15 |
-8.81 |
-1.5 |
0 |
|
|
121283 |
50761916 |
1 |
SO2N5C19H25 |
AB2C5D19E25 |
-37.69 |
3.81 |
-9.16 |
-1.49 |
0 |
|
|
121284 |
50762071 |
1 |
O2S2N3C9H9 |
A2B2C3D9E9 |
-21.16 |
2.67 |
-8.53 |
-1.14 |
0 |
|
|
121285 |
50762072 |
1 |
S2N3O4H15C17 |
A2B3C4D15E17 |
-72.9 |
2.64 |
-8.54 |
-1.22 |
0 |
|
|
121286 |
50762073 |
1 |
N3O3C19H19 |
A3B3C19D19 |
-67.88 |
4.75 |
-8.7 |
-0.94 |
0 |
|
|
121287 |
50762074 |
1 |
FN3O3H18C19 |
AB3C3D18E19 |
-110.35 |
7.75 |
-8.58 |
-1.52 |
0 |
|
|
121288 |
50762075 |
1 |
BrN3O3C20H20 |
AB3C3D20E20 |
-76.34 |
7.07 |
-8.82 |
-1.01 |
0 |
|
|
121289 |
50762076 |
1 |
N3O3C21H23 |
A3B3C21D23 |
-81.23 |
3.84 |
-8.91 |
-0.92 |
0 |
|
|
121290 |
50762077 |
1 |
SO2N5H13C17 |
AB2C5D13E17 |
34.46 |
4.06 |
-8.94 |
-1.45 |
0 |
|
|
121291 |
50762078 |
1 |
SO2N6H16C22 |
AB2C6D16E22 |
69.63 |
2.32 |
-8.78 |
-1.38 |
0 |
|
|
121292 |
50762079 |
1 |
SO2N6H16C22 |
AB2C6D16E22 |
69.55 |
7.06 |
-9.06 |
-1.61 |
0 |
|
|
121293 |
50762080 |
1 |
O2S2N3C15H19 |
A2B2C3D15E19 |
-43.22 |
2.46 |
-8.43 |
-1.04 |
0 |
|
|
121294 |
50762081 |
1 |
S2N3O3C13H15 |
A2B3C3D13E15 |
-53.62 |
4.0 |
-8.51 |
-1.14 |
0 |
|
|
121295 |
50762082 |
1 |
O2S2N3H15C16 |
A2B2C3D15E16 |
3.86 |
2.74 |
-8.49 |
-1.11 |
0 |
|
|
121296 |
50762083 |
1 |
N3O3C19H19 |
A3B3C19D19 |
-72.49 |
4.65 |
-8.67 |
-0.96 |
0 |
|
|
121297 |
50762084 |
1 |
N3O3C17H21 |
A3B3C17D21 |
-106.44 |
4.57 |
-8.9 |
-0.92 |
0 |
|
|
121298 |
50762212 |
1 |
ON4C26H28 |
AB4C26D28 |
31.86 |
6.82 |
-8.84 |
-0.09 |
0 |
|
|
121299 |
50762248 |
1 |
SO2N4C25H28 |
AB2C4D25E28 |
-1.49 |
4.21 |
-9.08 |
-0.58 |
0 |
|
|
121300 |
50762271 |
1 |
BrSN2O3C20H23 |
ABC2D3E20F23 |
-96.05 |
4.98 |
-8.55 |
-1.2 |
0 |
|
|
121301 |
50762272 |
1 |
BrSN2O3C21H25 |
ABC2D3E21F25 |
-94.71 |
3.57 |
-9.4 |
-1.04 |
0 |
|
|
121302 |
50762273 |
1 |
ON6H16C19 |
AB6C16D19 |
93.47 |
4.53 |
-9.08 |
-1.46 |
0 |
|
|
121303 |
50762274 |
1 |
ClSO2N4H19C21 |
ABC2D4E19F21 |
16.18 |
3.21 |
-8.88 |
-1.09 |
0 |
|
|
121304 |
50762275 |
1 |
SF3O3N5C18H18 |
AB3C3D5E18F18 |
-210.14 |
3.65 |
-9.19 |
-1.18 |
0 |
|
|
121305 |
50762403 |
1 |
O2S2N4H18C19 |
A2B2C4D18E19 |
36.49 |
5.57 |
-9.19 |
-0.95 |
0 |
|
|
121306 |
50762404 |
1 |
SO2N4C22H22 |
AB2C4D22E22 |
14.52 |
4.85 |
-9.28 |
-0.57 |
0 |
|
|
121307 |
50762502 |
1 |
ClN3O4H22C28 |
AB3C4D22E28 |
-71.36 |
6.52 |
-9.32 |
-0.92 |
0 |
|
|
121308 |
50762503 |
2 |
N2O2C15H18 |
A2B2C15D18 |
-168.41 |
4.46 |
-9.39 |
-1.03 |
0 |
|
|
121309 |
50762504 |
1 |
ClFN3O3H21C29 |
ABC3D3E21F29 |
-82.8 |
7.89 |
-8.75 |
-0.97 |
0 |
|
|
121310 |
50762581 |
1 |
ClN3O3H26C27 |
AB3C3D26E27 |
-82.6 |
5.35 |
-9.36 |
-1.01 |
0 |
|
|
121311 |
50762582 |
2 |
N2O2C15H16 |
A2B2C15D16 |
-125.82 |
4.2 |
-8.9 |
-1.07 |
0 |
|
|
121312 |
50762621 |
1 |
N4O5C29H30 |
A4B5C29D30 |
-151.06 |
3.31 |
-8.46 |
-1.04 |
0 |
|
|
121313 |
50762912 |
1 |
N4O5C28H34 |
A4B5C28D34 |
-193.71 |
10.54 |
-8.63 |
-0.84 |
0 |
|
|
121314 |
50763003 |
1 |
F3N3O3C24H26 |
A3B3C3D24E26 |
-274.11 |
7.77 |
-9.48 |
-0.96 |
0 |
|
|
121315 |
50763063 |
3 |
NOC9H9 |
ABC9D9 |
-77.65 |
6.2 |
-8.53 |
-0.82 |
0 |
|
|
121316 |
50763106 |
1 |
FN4O4C29H29 |
AB4C4D29E29 |
-175.23 |
4.6 |
-8.65 |
-0.9 |
0 |
|
|
121317 |
50763107 |
1 |
N3O4C27H27 |
A3B4C27D27 |
-109.9 |
5.02 |
-8.71 |
-0.76 |
0 |
|
|
121318 |
50763447 |
2 |
N2O2C12H13 |
A2B2C12D13 |
-97.85 |
6.06 |
-8.32 |
-1.06 |
0 |
|
|
121319 |
50763515 |
1 |
ClSO3N5H20C21 |
ABC3D5E20F21 |
-52.06 |
9.44 |
-8.59 |
-1.05 |
0 |
|
|
121320 |
50763612 |
1 |
SO3N5H23C26 |
AB3C5D23E26 |
-3.7 |
5.1 |
-8.72 |
-1.08 |
0 |
|
|
121321 |
50763646 |
1 |
SO3N5C21H21 |
AB3C5D21E21 |
-35.3 |
6.42 |
-8.98 |
-1.41 |
0 |
|
|
121322 |
50763647 |
1 |
SO4N5H21C22 |
AB4C5D21E22 |
-73.77 |
7.12 |
-9.12 |
-1.45 |
0 |
|
|
121323 |
50763660 |
1 |
SN5O5H19C21 |
AB5C5D19E21 |
-106.67 |
7.97 |
-8.9 |
-1.4 |
0 |
|
|
121324 |
50763697 |
1 |
SN5O5C24H25 |
AB5C5D24E25 |
-106.3 |
7.36 |
-8.53 |
-1.31 |
0 |
|
|
121325 |
50763760 |
1 |
ClSO3N5H18C24 |
ABC3D5E18F24 |
7.85 |
4.61 |
-9.02 |
-1.49 |
0 |
|
|
121326 |
50763761 |
1 |
SO3N5H23C26 |
AB3C5D23E26 |
-2.79 |
6.23 |
-8.89 |
-1.04 |
0 |
|
|
121327 |
50763762 |
1 |
SO3N5H23C26 |
AB3C5D23E26 |
-2.91 |
6.08 |
-8.87 |
-1.04 |
0 |
|
|
121328 |
50763774 |
1 |
SO3N5H23C26 |
AB3C5D23E26 |
0.36 |
6.14 |
-9.02 |
-1.38 |
0 |
|
|
121329 |
50763775 |
1 |
SO4N5H21C25 |
AB4C5D21E25 |
-24.53 |
10.65 |
-8.84 |
-1.45 |
0 |
|
|
121330 |
50763776 |
1 |
SO3N5H23C26 |
AB3C5D23E26 |
3.45 |
4.21 |
-9.01 |
-1.3 |
0 |
|
|
121331 |
50763777 |
1 |
SO4N5H21C25 |
AB4C5D21E25 |
-26.76 |
4.77 |
-8.33 |
-1.37 |
0 |
|
|
121332 |
50763778 |
1 |
SO4N5H21C25 |
AB4C5D21E25 |
-21.22 |
9.18 |
-8.82 |
-1.25 |
0 |
|
|
121333 |
50763779 |
1 |
ClN4O5H21C23 |
AB4C5D21E23 |
-79.55 |
2.85 |
-8.38 |
-1.18 |
0 |
|
|
121334 |
50763780 |
1 |
BrClN4O4H18C22 |
ABC4D4E18F22 |
-31.95 |
7.5 |
-8.94 |
-1.14 |
0 |
|
|
121335 |
50763781 |
1 |
ClSO2N3H16C18 |
ABC2D3E16F18 |
12.47 |
4.81 |
-9.13 |
-1.06 |
0 |
|
|
121336 |
50764077 |
1 |
ClON3H16C18 |
ABC3D16E18 |
43.9 |
1.35 |
-8.35 |
-0.74 |
0 |
|
|
121337 |
50764116 |
1 |
N3O4H25C27 |
A3B4C25D27 |
-72.46 |
3.45 |
-8.25 |
-0.59 |
0 |
|
|
121338 |
50764162 |
1 |
N3O5H23C24 |
A3B5C23D24 |
-85.15 |
5.55 |
-8.7 |
-0.88 |
0 |
|
|
121339 |
50764234 |
1 |
N3O5C27H29 |
A3B5C27D29 |
-100.71 |
4.52 |
-8.57 |
-0.87 |
0 |
|
|
121340 |
50764386 |
1 |
SF3N3O6H20C24 |
AB3C3D6E20F24 |
-275.34 |
8.23 |
-9.15 |
-1.23 |
0 |
|
|
121341 |
50764387 |
1 |
ClFSN4O4C23H24 |
ABCD4E4F23G24 |
-127.42 |
9.7 |
-9.13 |
-0.89 |
0 |
|
|
121342 |
50764388 |
1 |
ClSN4O5C24H27 |
ABC4D5E24F27 |
-116.7 |
7.39 |
-8.55 |
-0.74 |
0 |
|
|
121343 |
50764389 |
1 |
FSN3O6H20C23 |
ABC3D6E20F23 |
-161.39 |
10.1 |
-9.04 |
-1.29 |
0 |
|
|
121344 |
50764407 |
1 |
SN3O5C23H27 |
AB3C5D23E27 |
-94.71 |
5.19 |
-7.93 |
-0.77 |
0 |
|
|
121345 |
50764408 |
1 |
SN3O7C26H27 |
AB3C7D26E27 |
-176.14 |
11.32 |
-8.88 |
-1.32 |
0 |
|
|
121346 |
50764409 |
1 |
ClSN4O5C23H25 |
ABC4D5E23F25 |
-113.36 |
5.19 |
-8.68 |
-0.89 |
0 |
|
|
121347 |
50764410 |
1 |
ClSN4O5C23H25 |
ABC4D5E23F25 |
-118.97 |
3.87 |
-8.48 |
-0.86 |
0 |
|
|
121348 |
50764439 |
1 |
BrSN3O6H20C23 |
ABC3D6E20F23 |
-115.24 |
13.21 |
-8.92 |
-1.29 |
0 |
|
|
121349 |
50764539 |
1 |
FSN3O5C22H24 |
ABC3D5E22F24 |
-218.71 |
7.86 |
-8.59 |
-1.37 |
0 |
|
|
121350 |
50764540 |
1 |
ClFSN3O5C21H21 |
ABCD3E5F21G21 |
-217.2 |
7.87 |
-9.18 |
-1.21 |
0 |
|
|
121351 |
50764636 |
1 |
FSN3O5C21H22 |
ABC3D5E21F22 |
-210.03 |
5.75 |
-8.98 |
-1.21 |
0 |
|
|
121352 |
50764652 |
1 |
FSN4O4H15C21 |
ABC4D4E15F21 |
-58.02 |
7.11 |
-9.58 |
-1.72 |
0 |
|
|
121353 |
50764677 |
1 |
SN3O5C24H29 |
AB3C5D24E29 |
-197.95 |
2.24 |
-8.77 |
-1.07 |
0 |
|
|
121354 |
50764678 |
1 |
SN3O6C24H27 |
AB3C6D24E27 |
-210.93 |
2.46 |
-9.24 |
-1.12 |
0 |
|
|
121355 |
50764679 |
1 |
FSN3O5C22H24 |
ABC3D5E22F24 |
-219.33 |
1.72 |
-9.29 |
-1.09 |
0 |
|
|
121356 |
50764680 |
1 |
FSN3O5C22H24 |
ABC3D5E22F24 |
-215.59 |
3.0 |
-9.11 |
-1.08 |
0 |
|
|
121357 |
50764681 |
1 |
SN3O5C24H29 |
AB3C5D24E29 |
-188.49 |
3.7 |
-8.64 |
-1.01 |
0 |
|
|
121358 |
50764797 |
1 |
SN3O5C25H31 |
AB3C5D25E31 |
-175.55 |
4.43 |
-8.95 |
-0.97 |
0 |
|
|
121359 |
50764854 |
1 |
SN3O7C24H27 |
AB3C7D24E27 |
-243.23 |
2.43 |
-8.43 |
-1.08 |
0 |
|
|
121360 |
50764980 |
1 |
O2N4C23H26 |
A2B4C23D26 |
-6.23 |
2.41 |
-8.69 |
-1.17 |
0 |
|
|
121361 |
50764981 |
1 |
O2N3C20H21 |
A2B3C20D21 |
-16.29 |
0.86 |
-8.41 |
-1.31 |
0 |