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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
365992 |
127319286 |
1 |
O3N6C14H16 |
A3B6C14D16 |
8.85 |
4.64 |
-9.7 |
-0.94 |
0 |
|
|
365993 |
127319288 |
1 |
ON6C17H20 |
AB6C17D20 |
89.14 |
8.68 |
-8.91 |
-1.03 |
0 |
|
|
365994 |
127319299 |
1 |
ON7C16H21 |
AB7C16D21 |
94.87 |
1.54 |
-9.06 |
-0.71 |
0 |
|
|
365995 |
127319300 |
1 |
SO3N4C12H16 |
AB3C4D12E16 |
-15.04 |
8.59 |
-9.48 |
-0.79 |
0 |
|
|
365996 |
127319301 |
1 |
OSN4C14H14 |
ABC4D14E14 |
85.34 |
5.28 |
-9.36 |
-1.29 |
0 |
|
|
365997 |
127319302 |
1 |
ON4C14H18 |
AB4C14D18 |
60.66 |
4.75 |
-9.61 |
-0.64 |
0 |
|
|
365998 |
127319303 |
2 |
ON2C5H6 |
AB2C5D6 |
29.4 |
1.67 |
-9.74 |
-0.95 |
0 |
|
|
365999 |
127319304 |
1 |
O2N5C15H21 |
A2B5C15D21 |
6.43 |
3.14 |
-9.69 |
-0.98 |
0 |
|
|
366000 |
127319305 |
2 |
ON3C7H10 |
AB3C7D10 |
20.53 |
2.47 |
-9.49 |
-0.72 |
0 |
|
|
366001 |
127319306 |
1 |
ON4C12H14 |
AB4C12D14 |
76.73 |
4.38 |
-9.65 |
-0.67 |
0 |
|
|
366002 |
127319307 |
1 |
O2N5C16H23 |
A2B5C16D23 |
1.17 |
2.18 |
-9.54 |
-0.91 |
0 |
|
|
366003 |
127319308 |
1 |
ON4C12H14 |
AB4C12D14 |
74.18 |
3.52 |
-9.62 |
-0.6 |
0 |
|
|
366004 |
127319309 |
1 |
ON4C12H16 |
AB4C12D16 |
51.33 |
4.89 |
-9.64 |
-0.64 |
0 |
|
|
366005 |
127319310 |
1 |
O2F3N5C12H12 |
A2B3C5D12E12 |
-131.37 |
1.4 |
-9.87 |
-1.2 |
0 |
|
|
366006 |
127319311 |
2 |
ON2C6H8 |
AB2C6D8 |
21.16 |
5.93 |
-9.62 |
-0.88 |
0 |
|
|
366007 |
127319312 |
1 |
OSN4H12C13 |
ABC4D12E13 |
99.72 |
5.19 |
-9.35 |
-1.35 |
0 |
|
|
366008 |
127319313 |
1 |
SO2N6C18H18 |
AB2C6D18E18 |
47.59 |
10.01 |
-9.16 |
-1.58 |
0 |
|
|
366009 |
127319314 |
1 |
O2N5C13H13 |
A2B5C13D13 |
89.2 |
4.4 |
-9.68 |
-1.33 |
0 |
|
|
366010 |
127319315 |
2 |
ON2C5H6 |
AB2C5D6 |
28.85 |
3.31 |
-9.64 |
-0.8 |
0 |
|
|
366011 |
127319316 |
1 |
ON7C16H19 |
AB7C16D19 |
74.41 |
7.97 |
-8.17 |
-1.24 |
0 |
|
|
366012 |
127319317 |
1 |
O2N3C12H21 |
A2B3C12D21 |
-100.56 |
4.57 |
-8.87 |
0.77 |
0 |
|
|
366013 |
127319318 |
1 |
O2N4C13H24 |
A2B4C13D24 |
-94.57 |
6.71 |
-9.19 |
0.91 |
0 |
|
|
366014 |
127319319 |
1 |
O2N3C13H23 |
A2B3C13D23 |
-92.04 |
2.26 |
-8.9 |
0.92 |
0 |
|
|
366015 |
127319320 |
2 |
ON2C9H13 |
AB2C9D13 |
-78.33 |
6.05 |
-8.75 |
0.2 |
0 |
|
|
366016 |
127319321 |
2 |
ON2C8H11 |
AB2C8D11 |
-50.29 |
6.32 |
-8.17 |
0.11 |
0 |
|
|
366017 |
127319322 |
1 |
O3N4C15H26 |
A3B4C15D26 |
-121.65 |
5.97 |
-9.09 |
0.56 |
0 |
|
|
366018 |
127319323 |
1 |
SO2N4C14H20 |
AB2C4D14E20 |
-49.12 |
3.92 |
-8.7 |
-0.57 |
0 |
|
|
366019 |
127319324 |
1 |
O2N3C18H21 |
A2B3C18D21 |
-15.23 |
7.53 |
-8.46 |
-0.54 |
0 |
|
|
366020 |
127319325 |
2 |
NOC7H9 |
ABC7D9 |
-54.19 |
5.02 |
-8.43 |
0.22 |
0 |
|
|
366021 |
127319327 |
1 |
O2N3C14H23 |
A2B3C14D23 |
-81.81 |
5.29 |
-9.3 |
0.77 |
0 |
|
|
366022 |
127319328 |
1 |
FON2C15H19 |
ABC2D15E19 |
-74.88 |
6.18 |
-8.58 |
0.14 |
0 |
|
|
366023 |
127319329 |
1 |
OF2N2C14H16 |
AB2C2D14E16 |
-115.21 |
6.87 |
-8.94 |
-0.22 |
0 |
|
|
366024 |
127319330 |
1 |
O3N4C16H26 |
A3B4C16D26 |
-133.5 |
4.87 |
-8.68 |
-0.13 |
0 |
|
|
366025 |
127319331 |
1 |
ON2C13H24 |
AB2C13D24 |
-71.3 |
3.8 |
-8.92 |
1.38 |
0 |
|
|
366026 |
127319332 |
1 |
SO2N3C14H23 |
AB2C3D14E23 |
-84.5 |
1.3 |
-8.83 |
0.14 |
0 |
|
|
366027 |
127319333 |
1 |
SO2N3C14H23 |
AB2C3D14E23 |
-65.82 |
7.76 |
-8.83 |
0.16 |
0 |
|
|
366028 |
127319334 |
1 |
SO2N4C17H20 |
AB2C4D17E20 |
-18.99 |
7.3 |
-9.14 |
-0.94 |
0 |
|
|
366029 |
127319335 |
1 |
SN3O4C14H25 |
AB3C4D14E25 |
-173.11 |
8.4 |
-9.03 |
0.68 |
0 |
|
|
366030 |
127319336 |
1 |
ON2C14H26 |
AB2C14D26 |
-86.34 |
3.78 |
-8.98 |
1.5 |
0 |
|
|
366031 |
127319337 |
1 |
ClO2N3C17H22 |
AB2C3D17E22 |
-83.42 |
4.76 |
-8.82 |
-0.63 |
0 |
|
|
366032 |
127319338 |
1 |
O2N3C12H21 |
A2B3C12D21 |
-97.59 |
1.71 |
-8.96 |
0.83 |
0 |
|
|
366033 |
127319339 |
1 |
O2N4C19H28 |
A2B4C19D28 |
-67.45 |
4.1 |
-8.79 |
-0.2 |
0 |
|
|
366034 |
127319340 |
2 |
ON2C10H15 |
AB2C10D15 |
-87.4 |
7.51 |
-7.96 |
0.26 |
0 |
|
|
366035 |
127319341 |
2 |
ON2C10H15 |
AB2C10D15 |
-86.26 |
6.37 |
-8.44 |
0.25 |
0 |
|
|
366036 |
127319342 |
1 |
O2N4C17H30 |
A2B4C17D30 |
-81.42 |
0.83 |
-8.89 |
1.1 |
0 |
|
|
366037 |
127319343 |
1 |
SO2N3C12H21 |
AB2C3D12E21 |
-83.56 |
4.78 |
-8.67 |
0.23 |
0 |
|
|
366038 |
127319346 |
2 |
ON2C7H11 |
AB2C7D11 |
-49.8 |
5.14 |
-8.86 |
0.32 |
0 |
|
|
366039 |
127319347 |
1 |
SO2N3C18H25 |
AB2C3D18E25 |
-75.48 |
3.41 |
-8.54 |
-0.04 |
0 |
|
|
366040 |
127319348 |
1 |
N3O3C16H27 |
A3B3C16D27 |
-139.04 |
5.33 |
-9.1 |
0.77 |
0 |
|
|
366041 |
127319349 |
1 |
O2N3C13H23 |
A2B3C13D23 |
-102.85 |
1.66 |
-9.09 |
0.77 |
0 |
|
|
366042 |
127319350 |
1 |
SN3O4C13H23 |
AB3C4D13E23 |
-184.15 |
6.02 |
-9.32 |
0.32 |
0 |
|
|
366043 |
127319351 |
1 |
ON2C14H24 |
AB2C14D24 |
-49.3 |
5.11 |
-8.56 |
1.46 |
0 |
|
|
366044 |
127319352 |
1 |
SO2N3C18H25 |
AB2C3D18E25 |
-76.31 |
6.21 |
-8.52 |
0.11 |
0 |
|
|
366045 |
127319361 |
1 |
ON2C16H22 |
AB2C16D22 |
-27.91 |
5.0 |
-8.64 |
0.32 |
0 |
|
|
366046 |
127319362 |
1 |
O2N3C12H21 |
A2B3C12D21 |
-96.78 |
1.69 |
-9.11 |
0.74 |
0 |
|
|
366047 |
127319363 |
1 |
SO3N4C19H30 |
AB3C4D19E30 |
-105.73 |
8.28 |
-8.66 |
-0.51 |
0 |
|
|
366048 |
127319364 |
1 |
FN2O3C17H23 |
AB2C3D17E23 |
-161.78 |
7.24 |
-8.76 |
-0.2 |
0 |
|
|
366049 |
127319365 |
1 |
ON3C13H25 |
AB3C13D25 |
-51.38 |
4.02 |
-8.72 |
1.28 |
0 |
|
|
366050 |
127319366 |
1 |
O3N4C17H30 |
A3B4C17D30 |
-134.54 |
6.61 |
-8.83 |
0.72 |
0 |
|
|
366051 |
127319367 |
1 |
O2N5C15H25 |
A2B5C15D25 |
-44.79 |
2.24 |
-8.52 |
0.58 |
0 |
|
|
366052 |
127319368 |
2 |
ON2C8H15 |
AB2C8D15 |
-103.78 |
1.2 |
-8.82 |
1.25 |
0 |
|
|
366053 |
127319369 |
1 |
O2N3C18H25 |
A2B3C18D25 |
-86.23 |
4.24 |
-8.74 |
-0.02 |
0 |
|
|
366054 |
127319370 |
1 |
SN2O3C11H20 |
AB2C3D11E20 |
-135.93 |
7.78 |
-9.38 |
0.68 |
0 |
|
|
366055 |
127319378 |
1 |
ON3C13H25 |
AB3C13D25 |
-46.49 |
3.59 |
-8.56 |
1.34 |
0 |
|
|
366056 |
127319379 |
1 |
N2O5C17H20 |
A2B5C17D20 |
-179.02 |
4.45 |
-9.12 |
-0.57 |
0 |
|
|
366057 |
127319380 |
1 |
SN2O3C12H18 |
AB2C3D12E18 |
-139.82 |
3.03 |
-9.14 |
-0.34 |
0 |
|
|
366058 |
127319381 |
1 |
SN2O5C17H24 |
AB2C5D17E24 |
-195.97 |
8.34 |
-9.53 |
-0.89 |
0 |
|
|
366059 |
127319382 |
1 |
O2S3N4C14H20 |
A2B3C4D14E20 |
-25.28 |
10.32 |
-9.07 |
-0.44 |
0 |
|
|
366060 |
127319383 |
1 |
N3O3S3C13H17 |
A3B3C3D13E17 |
-59.55 |
7.56 |
-9.24 |
-0.96 |
0 |
|
|
366061 |
127319384 |
1 |
SN6C17H22 |
AB6C17D22 |
99.43 |
4.54 |
-8.79 |
-0.7 |
0 |
|
|
366062 |
127319385 |
1 |
OSN4C12H16 |
ABC4D12E16 |
23.55 |
1.53 |
-9.06 |
-0.94 |
0 |
|
|
366063 |
127319386 |
1 |
OSN3C15H25 |
ABC3D15E25 |
-32.2 |
4.25 |
-8.56 |
0.19 |
0 |
|
|
366064 |
127319387 |
1 |
SN3O3C18H29 |
AB3C3D18E29 |
-120.77 |
9.11 |
-9.06 |
-0.45 |
0 |
|
|
366065 |
127319388 |
1 |
O2N3C21H31 |
A2B3C21D31 |
-72.25 |
3.79 |
-8.81 |
-0.07 |
0 |
|
|
366066 |
127319393 |
2 |
ON2C11H15 |
AB2C11D15 |
-15.28 |
5.05 |
-8.84 |
-0.6 |
0 |
|
|
366067 |
127319394 |
1 |
S2N3O5C16H19 |
A2B3C5D16E19 |
-144.69 |
3.95 |
-8.75 |
-1.09 |
0 |
|
|
366068 |
127319395 |
1 |
NSO3C13H17 |
ABC3D13E17 |
-106.03 |
4.86 |
-8.66 |
-0.14 |
0 |
|
|
366069 |
127319396 |
1 |
NSO3C13H17 |
ABC3D13E17 |
-104.4 |
4.92 |
-8.62 |
-0.19 |
0 |
|
|
366070 |
127319401 |
1 |
S2N4O4C15H20 |
A2B4C4D15E20 |
-104.11 |
3.43 |
-9.41 |
-0.94 |
0 |
|
|
366071 |
127319402 |
2 |
SN2O2C8H11 |
AB2C2D8E11 |
-117.93 |
5.52 |
-9.42 |
-0.84 |
0 |
|
|
366072 |
127319403 |
1 |
SN2O5C16H22 |
AB2C5D16E22 |
-183.56 |
3.69 |
-8.43 |
-0.5 |
0 |
|
|
366073 |
127319404 |
1 |
SN3O6C17H21 |
AB3C6D17E21 |
-181.76 |
5.47 |
-9.28 |
-0.96 |
0 |
|
|
366074 |
127319405 |
1 |
SN4O5C14H18 |
AB4C5D14E18 |
-170.7 |
4.79 |
-9.01 |
-0.51 |
0 |
|
|
366075 |
127319406 |
1 |
SN3O4C16H23 |
AB3C4D16E23 |
-145.68 |
4.59 |
-8.88 |
-0.46 |
0 |
|
|
366076 |
127319407 |
1 |
S2N3O3C15H23 |
A2B3C3D15E23 |
-97.31 |
3.02 |
-8.42 |
-0.36 |
0 |
|
|
366077 |
127319408 |
1 |
OSN4C19H26 |
ABC4D19E26 |
17.03 |
5.21 |
-9.19 |
-0.31 |
0 |
|
|
366078 |
127319409 |
1 |
SN3O3C15H17 |
AB3C3D15E17 |
-64.32 |
5.01 |
-9.46 |
-1.19 |
0 |
|
|
366079 |
127319410 |
1 |
NSO5C15H19 |
ABC5D15E19 |
-190.61 |
8.47 |
-9.2 |
-0.58 |
0 |
|
|
366080 |
127319411 |
1 |
SN2O5C16H20 |
AB2C5D16E20 |
-194.15 |
4.85 |
-9.0 |
-0.58 |
0 |
|
|
366081 |
127319412 |
1 |
SO3N4C14H16 |
AB3C4D14E16 |
-54.12 |
3.97 |
-9.93 |
-1.45 |
0 |
|
|
366082 |
127319415 |
1 |
SN3O4C16H19 |
AB3C4D16E19 |
-121.28 |
7.21 |
-9.18 |
-0.96 |
0 |
|
|
366083 |
127319416 |
1 |
SN4O4C15H18 |
AB4C4D15E18 |
-113.23 |
7.18 |
-9.92 |
-1.38 |
0 |
|
|
366084 |
127319417 |
1 |
SN2O3C18H20 |
AB2C3D18E20 |
-93.35 |
4.61 |
-9.35 |
-0.73 |
0 |
|
|
366085 |
127319418 |
1 |
SN2O4C16H18 |
AB2C4D16E18 |
-127.58 |
7.87 |
-9.5 |
-0.92 |
0 |
|
|
366086 |
127319419 |
1 |
SO3N5C13H17 |
AB3C5D13E17 |
-60.9 |
10.44 |
-10.25 |
-1.37 |
0 |
|
|
366087 |
127319420 |
1 |
NSO4C19H25 |
ABC4D19E25 |
-179.67 |
4.14 |
-9.37 |
-0.33 |
0 |
|
|
366088 |
127319434 |
1 |
NSO4C14H17 |
ABC4D14E17 |
-152.34 |
6.84 |
-9.3 |
-0.23 |
0 |
|
|
366089 |
127319435 |
1 |
SN2O4C15H16 |
AB2C4D15E16 |
-142.37 |
7.66 |
-9.29 |
-1.08 |
0 |
|
|
366090 |
127319436 |
1 |
NS2O3C16H17 |
AB2C3D16E17 |
-84.1 |
7.46 |
-9.33 |
-1.0 |
0 |
|
|
366091 |
127319437 |
1 |
S2N3O3C10H15 |
A2B3C3D10E15 |
-92.89 |
6.32 |
-9.79 |
-1.22 |
0 |