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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
429366 |
135169389 |
1 |
ON2H14C23 |
AB2C14D23 |
87.22 |
3.04 |
-8.31 |
-0.99 |
0 |
|
|
429367 |
135169390 |
1 |
ON5H31C50 |
AB5C31D50 |
246.1 |
3.36 |
-8.27 |
-1.2 |
0 |
|
|
429368 |
135169391 |
1 |
ON2H14C23 |
AB2C14D23 |
89.45 |
2.29 |
-8.26 |
-1.17 |
0 |
|
|
429369 |
135169392 |
1 |
O2N5H33C56 |
A2B5C33D56 |
247.45 |
2.62 |
-8.12 |
-1.38 |
0 |
|
|
429370 |
135169393 |
1 |
SN4C9H12 |
AB4C9D12 |
56.81 |
3.17 |
-8.42 |
-1.14 |
0 |
|
|
429371 |
135169394 |
1 |
ClSO3N7C23H26 |
ABC3D7E23F26 |
-4.87 |
3.65 |
-8.14 |
-0.52 |
0 |
|
|
429372 |
135169395 |
1 |
NC19H35 |
AB19C35 |
-47.22 |
1.38 |
-8.34 |
2.89 |
0 |
|
|
429373 |
135169396 |
1 |
O2N5H33C56 |
A2B5C33D56 |
243.59 |
4.06 |
-8.2 |
-1.29 |
0 |
|
|
429374 |
135169397 |
1 |
ClSO2N7H16C17 |
ABC2D7E16F17 |
59.18 |
5.58 |
-8.32 |
-0.61 |
0 |
|
|
429375 |
135169398 |
1 |
N4H66C69 |
A4B66C69 |
214.38 |
2.53 |
-8.04 |
-0.77 |
0 |
|
|
429376 |
135169399 |
2 |
NO2H29C33 |
AB2C29D33 |
90.54 |
3.87 |
-7.95 |
-0.56 |
0 |
|
|
429377 |
135169400 |
1 |
N2O2S2H56C65 |
A2B2C2D56E65 |
169.67 |
0.43 |
-7.92 |
-0.57 |
0 |
|
|
429378 |
135169401 |
1 |
O2S3H20C22 |
A2B3C20D22 |
21.83 |
0.48 |
-8.95 |
-0.31 |
0 |
|
|
429379 |
135169402 |
1 |
O4H20C23 |
A4B20C23 |
-45.02 |
2.22 |
-8.66 |
0.11 |
0 |
|
|
429380 |
135169403 |
1 |
O2S2H20C23 |
A2B2C20D23 |
23.0 |
1.44 |
-8.6 |
-0.3 |
0 |
|
|
429381 |
135169404 |
1 |
SN4O5C22H26 |
AB4C5D22E26 |
-146.81 |
6.5 |
-8.33 |
-0.51 |
0 |
|
|
429382 |
135169405 |
2 |
FNOC5H8 |
ABCD5E8 |
-150.74 |
1.34 |
-8.87 |
0.28 |
0 |
|
|
429383 |
135169406 |
1 |
FON2C10H17 |
ABC2D10E17 |
-70.25 |
2.46 |
-8.27 |
0.92 |
0 |
|
|
429384 |
135169407 |
1 |
FSN2O2H13C15 |
ABC2D2E13F15 |
-47.02 |
2.48 |
-8.41 |
-0.62 |
0 |
|
|
429385 |
135169408 |
1 |
FON2C11H19 |
ABC2D11E19 |
-76.71 |
2.56 |
-8.33 |
0.84 |
0 |
|
|
429386 |
135169409 |
1 |
SN4O4C16H16 |
AB4C4D16E16 |
-81.11 |
5.02 |
-8.48 |
-0.57 |
0 |
|
|
429387 |
135169410 |
1 |
FN2O2C10H17 |
AB2C2D10E17 |
-104.19 |
1.12 |
-8.8 |
0.62 |
0 |
|
|
429388 |
135169411 |
1 |
OF2N2C11H18 |
AB2C2D11E18 |
-124.36 |
3.16 |
-8.55 |
0.46 |
0 |
|
|
429389 |
135169412 |
1 |
FSN2O2H7C8 |
ABC2D2E7F8 |
-79.54 |
3.37 |
-8.54 |
-0.73 |
0 |
|
|
429390 |
135169413 |
1 |
OF2N2C10H16 |
AB2C2D10E16 |
-118.72 |
2.89 |
-8.84 |
0.36 |
0 |
|
|
429391 |
135169414 |
1 |
F3O4N5C27H34 |
A3B4C5D27E34 |
-279.36 |
7.66 |
-9.17 |
-0.39 |
0 |
|
|
429392 |
135169415 |
1 |
N2C25H30 |
A2B25C30 |
33.94 |
3.55 |
-8.2 |
-0.39 |
0 |
|
|
429393 |
135169416 |
1 |
ON5H23C38 |
AB5C23D38 |
205.14 |
3.17 |
-8.43 |
-1.37 |
0 |
|
|
429394 |
135169417 |
1 |
ON4H28C45 |
AB4C28D45 |
210.08 |
3.92 |
-8.26 |
-1.11 |
0 |
|
|
429395 |
135169418 |
1 |
O2N5H29C50 |
A2B5C29D50 |
224.42 |
4.57 |
-8.23 |
-1.5 |
0 |
|
|
429396 |
135169419 |
1 |
ON2H14C23 |
AB2C14D23 |
87.2 |
3.02 |
-8.31 |
-0.96 |
0 |
|
|
429397 |
135169420 |
1 |
NC19H31 |
AB19C31 |
-24.36 |
1.18 |
-8.42 |
0.47 |
0 |
|
|
429398 |
135169421 |
1 |
N2O3H14C23 |
A2B3C14D23 |
78.53 |
5.03 |
-9.23 |
-1.41 |
0 |
|
|
429399 |
135169422 |
1 |
O2N5H29C50 |
A2B5C29D50 |
223.05 |
4.41 |
-8.26 |
-1.49 |
0 |
|
|
429400 |
135169423 |
1 |
Br2H18C21 |
A2B18C21 |
61.2 |
3.4 |
-9.17 |
-0.24 |
0 |
|
|
429401 |
135169424 |
1 |
N3H21C34 |
A3B21C34 |
196.4 |
1.37 |
-8.5 |
-1.46 |
0 |
|
|
429402 |
135169425 |
1 |
NSO3H23C32 |
ABC3D23E32 |
83.96 |
6.62 |
-8.36 |
-1.48 |
0 |
|
|
429403 |
135169426 |
1 |
N2O4H52C61 |
A2B4C52D61 |
51.35 |
2.86 |
-7.96 |
-0.56 |
0 |
|
|
429404 |
135169427 |
1 |
ClON2H7C9 |
ABC2D7E9 |
40.3 |
5.51 |
-10.03 |
-1.22 |
0 |
|
|
429405 |
135169433 |
1 |
ON2H16C23 |
AB2C16D23 |
92.27 |
3.28 |
-7.98 |
-0.84 |
0 |
|
|
429406 |
135169435 |
1 |
N2F7C9H11 |
A2B7C9D11 |
-347.24 |
3.02 |
-9.07 |
-0.87 |
0 |
|
|
429407 |
135169438 |
1 |
ON5H27C44 |
AB5C27D44 |
224.87 |
2.64 |
-8.12 |
-1.27 |
0 |
|
|
429408 |
135169439 |
1 |
ON2F4C12H18 |
AB2C4D12E18 |
-236.98 |
6.2 |
-8.82 |
-0.01 |
0 |
|
|
429409 |
135169440 |
1 |
OS2N5C30H31 |
AB2C5D30E31 |
80.36 |
3.06 |
-9.08 |
-0.81 |
0 |
|
|
429410 |
135169441 |
1 |
SN2O2C8H8 |
AB2C2D8E8 |
-37.7 |
3.12 |
-8.52 |
-0.55 |
0 |
|
|
429411 |
135169442 |
1 |
BrSO2N3H12C14 |
ABC2D3E12F14 |
-1.85 |
5.68 |
-8.61 |
-0.65 |
0 |
|
|
429412 |
135169444 |
1 |
SCl2O3N4C19H20 |
AB2C3D4E19F20 |
-58.71 |
7.79 |
-8.34 |
-0.89 |
0 |
|
|
429413 |
135169445 |
1 |
SO2N6C18H20 |
AB2C6D18E20 |
41.47 |
4.38 |
-8.01 |
-0.34 |
0 |
|
|
429414 |
135169446 |
1 |
ClN2H9C10 |
AB2C9D10 |
84.53 |
4.93 |
-9.58 |
-0.72 |
0 |
|
|
429415 |
135169447 |
1 |
ON4H28C45 |
AB4C28D45 |
211.03 |
2.08 |
-8.3 |
-1.02 |
0 |
|
|
429416 |
135169448 |
1 |
O2N5H25C44 |
A2B5C25D44 |
205.72 |
4.07 |
-8.4 |
-1.39 |
0 |
|
|
429417 |
135169449 |
1 |
ON2H7C10F13 |
AB2C7D10E13 |
-688.94 |
4.07 |
-10.28 |
-1.25 |
0 |
|
|
429418 |
135169456 |
1 |
O2N5H25C44 |
A2B5C25D44 |
202.8 |
2.04 |
-8.46 |
-1.4 |
0 |
|
|
429419 |
135169467 |
1 |
SO4N8C27H34 |
AB4C8D27E34 |
-91.43 |
4.08 |
-9.14 |
-1.59 |
0 |
|
|
429420 |
135169468 |
1 |
BrIOSN3H7C9 |
ABCDE3F7G9 |
26.14 |
4.28 |
-9.02 |
-2.67 |
0 |
|
|
429421 |
135169469 |
1 |
ON5H31C50 |
AB5C31D50 |
247.49 |
2.4 |
-8.14 |
-1.22 |
0 |
|
|
429422 |
135169471 |
1 |
O2N5H33C56 |
A2B5C33D56 |
247.98 |
3.62 |
-8.26 |
-1.34 |
0 |
|
|
429423 |
135169472 |
1 |
FN3H12C17 |
AB3C12D17 |
47.13 |
3.33 |
-8.75 |
-0.89 |
0 |
|
|
429424 |
135169473 |
1 |
SN2O2C9H10 |
AB2C2D9E10 |
-41.51 |
2.27 |
-8.17 |
-0.44 |
0 |
|
|
429425 |
135169474 |
1 |
ClSO3N4C20H23 |
ABC3D4E20F23 |
-58.02 |
3.84 |
-8.15 |
-1.0 |
0 |
|
|
429426 |
135169475 |
1 |
O4N7C33H45 |
A4B7C33D45 |
-117.02 |
7.41 |
-8.91 |
-0.64 |
0 |
|
|
429427 |
135169476 |
1 |
O5N8C31H42 |
A5B8C31D42 |
-169.85 |
2.28 |
-9.18 |
-0.8 |
0 |
|
|
429428 |
135169477 |
1 |
ClSO2N4C19H21 |
ABC2D4E19F21 |
-34.06 |
2.09 |
-8.36 |
-0.4 |
0 |
|
|
429429 |
135169478 |
1 |
O4N8C23H36 |
A4B8C23D36 |
-150.51 |
12.71 |
-8.8 |
0.11 |
0 |
|
|
429430 |
135169479 |
1 |
OSN2C14H20 |
ABC2D14E20 |
-31.52 |
2.18 |
-8.01 |
0.0 |
0 |
|
|
429431 |
135169480 |
1 |
O2N5H33C56 |
A2B5C33D56 |
249.38 |
4.12 |
-8.24 |
-1.28 |
0 |
|
|
429432 |
135169481 |
2 |
SO3N4C14H18 |
AB3C4D14E18 |
-180.69 |
4.05 |
-9.05 |
-1.26 |
0 |
|
|
429433 |
135169482 |
1 |
O2N5H33C56 |
A2B5C33D56 |
247.56 |
4.67 |
-8.24 |
-1.43 |
0 |
|
|
429434 |
135169483 |
2 |
SO2N4C14H18 |
AB2C4D14E18 |
-83.76 |
1.91 |
-8.86 |
-1.56 |
0 |
|
|
429435 |
135169484 |
1 |
N7H131C175 |
A7B131C175 |
674.68 |
2.52 |
-7.75 |
-0.61 |
0 |
|
|
429436 |
135169485 |
1 |
SO5N8C29H36 |
AB5C8D29E36 |
-141.45 |
9.04 |
-9.4 |
-1.72 |
0 |
|
|
429437 |
135169486 |
1 |
SN2O2H14C16 |
AB2C2D14E16 |
-21.83 |
3.74 |
-8.56 |
-0.54 |
0 |
|
|
429438 |
135169487 |
1 |
BrSO2N3C19H20 |
ABC2D3E19F20 |
-18.14 |
5.21 |
-8.48 |
-0.71 |
0 |
|
|
429439 |
135169488 |
1 |
OSN5C23H25 |
ABC5D23E25 |
63.01 |
4.64 |
-8.32 |
-0.36 |
0 |
|
|
429440 |
135169489 |
1 |
O4N6C25H40 |
A4B6C25D40 |
-176.32 |
3.46 |
-9.39 |
0.15 |
0 |
|
|
429441 |
135169490 |
1 |
ClSO2N3H18C22 |
ABC2D3E18F22 |
12.7 |
3.09 |
-8.55 |
-0.81 |
0 |
|
|
429442 |
135169491 |
1 |
SO2N4C21H24 |
AB2C4D21E24 |
-20.81 |
2.48 |
-8.38 |
-0.76 |
0 |
|
|
429443 |
135169492 |
1 |
ClFSO2N3H11C14 |
ABCD2E3F11G14 |
-47.0 |
5.26 |
-8.62 |
-0.86 |
0 |
|
|
429444 |
135169493 |
1 |
FSO3N4H15C16 |
ABC3D4E15F16 |
-86.09 |
2.63 |
-8.41 |
-0.6 |
0 |
|
|
429445 |
135169494 |
1 |
FSO2N4H13C14 |
ABC2D4E13F14 |
-39.78 |
0.74 |
-8.45 |
-0.46 |
0 |
|
|
429446 |
135169495 |
1 |
ISN3C13H16 |
ABC3D13E16 |
77.07 |
4.86 |
-8.87 |
-2.35 |
0 |
|
|
429447 |
135169496 |
1 |
SO3N6C24H28 |
AB3C6D24E28 |
-13.53 |
4.21 |
-8.3 |
-0.39 |
0 |
|
|
429448 |
135169497 |
1 |
ISF2N2O2C14H15 |
ABC2D2E2F14G15 |
-137.64 |
3.84 |
-8.33 |
-3.19 |
0 |
|
|
429449 |
135169498 |
1 |
SO3N6C25H28 |
AB3C6D25E28 |
-28.13 |
6.21 |
-8.41 |
-0.68 |
0 |
|
|
429450 |
135169499 |
1 |
SF2O2N7C23H27 |
AB2C2D7E23F27 |
-77.73 |
4.24 |
-8.34 |
-0.4 |
0 |
|
|
429451 |
135169500 |
1 |
ClSO2N4C19H21 |
ABC2D4E19F21 |
-31.92 |
4.59 |
-8.45 |
-0.55 |
0 |
|
|
429452 |
135169501 |
1 |
ClSO2N4C19H21 |
ABC2D4E19F21 |
-32.75 |
4.87 |
-8.42 |
-0.48 |
0 |
|
|
429453 |
135169502 |
1 |
OSH10C12 |
ABC10D12 |
12.97 |
0.44 |
-8.62 |
-0.77 |
0 |
|
|
429454 |
135169503 |
1 |
OH14C18 |
AB14C18 |
36.53 |
1.12 |
-8.32 |
-0.94 |
0 |
|
|
429455 |
135169504 |
1 |
BrFO2N3C20H23 |
ABC2D3E20F23 |
-84.63 |
5.4 |
-9.18 |
-1.15 |
0 |
|
|
429456 |
135169505 |
1 |
BrFN2C14H14 |
ABC2D14E14 |
0.43 |
5.63 |
-8.89 |
-0.94 |
0 |
|
|
429457 |
135169506 |
1 |
OBr2C25H26 |
AB2C25D26 |
2.83 |
2.0 |
-8.69 |
-0.21 |
0 |
|
|
429458 |
135169507 |
1 |
OF3N7H16C23 |
AB3C7D16E23 |
-5.66 |
6.74 |
-9.44 |
-1.33 |
0 |
|
|
429459 |
135169508 |
1 |
OSF3N11H12C19 |
ABC3D11E12F19 |
73.02 |
8.07 |
-9.6 |
-2.34 |
0 |
|
|
429460 |
135169509 |
1 |
ON5H31C50 |
AB5C31D50 |
247.94 |
3.22 |
-8.28 |
-1.22 |
0 |
|
|
429461 |
135169510 |
1 |
ClF3O3N8H18C24 |
AB3C3D8E18F24 |
-78.46 |
6.69 |
-9.61 |
-1.54 |
0 |
|
|
429462 |
135169511 |
1 |
SO2N4C20H24 |
AB2C4D20E24 |
-24.52 |
5.35 |
-8.52 |
-0.52 |
0 |
|
|
429463 |
135169512 |
1 |
SO2N3H23C28 |
AB2C3D23E28 |
41.4 |
4.92 |
-8.5 |
-0.49 |
0 |
|
|
429464 |
135169513 |
1 |
SF3O3N4C20H21 |
AB3C3D4E20F21 |
-224.38 |
3.28 |
-8.44 |
-0.88 |
0 |
|
|
429465 |
135169514 |
1 |
ClSO2N4H19C22 |
ABC2D4E19F22 |
7.34 |
4.27 |
-8.54 |
-0.53 |
0 |