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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
417976 |
135103206 |
1 |
ClO4N5C25H26 |
AB4C5D25E26 |
-53.64 |
2.63 |
-9.44 |
-0.74 |
0 |
|
|
417977 |
135103207 |
1 |
O3N6C19H32 |
A3B6C19D32 |
-111.47 |
4.85 |
-9.07 |
-0.44 |
0 |
|
|
417978 |
135103210 |
2 |
ON2C10H15 |
AB2C10D15 |
-56.1 |
1.3 |
-8.64 |
0.1 |
0 |
|
|
417979 |
135103211 |
1 |
SO4N5C31H43 |
AB4C5D31E43 |
-157.0 |
3.94 |
-8.81 |
-0.02 |
0 |
|
|
417980 |
135103212 |
1 |
FN2O3C20H23 |
AB2C3D20E23 |
-113.29 |
5.56 |
-8.52 |
-0.1 |
0 |
|
|
417981 |
135103213 |
1 |
SN3O4C18H25 |
AB3C4D18E25 |
-169.25 |
4.98 |
-9.64 |
-0.79 |
0 |
|
|
417982 |
135103215 |
1 |
NSO4C14H25 |
ABC4D14E25 |
-200.54 |
3.6 |
-9.32 |
0.89 |
0 |
|
|
417983 |
135103216 |
1 |
FN5O5C34H46 |
AB5C5D34E46 |
-264.62 |
4.58 |
-9.55 |
-0.18 |
0 |
|
|
417984 |
135103217 |
1 |
N2O3C13H20 |
A2B3C13D20 |
-119.41 |
6.31 |
-8.9 |
0.64 |
0 |
|
|
417985 |
135103218 |
1 |
N6O7C42H52 |
A6B7C42D52 |
-274.1 |
11.46 |
-9.42 |
-0.49 |
0 |
|
|
417986 |
135103219 |
1 |
O2N5C17H21 |
A2B5C17D21 |
-3.22 |
8.29 |
-9.03 |
-0.79 |
0 |
|
|
417987 |
135103220 |
1 |
ON4C19H28 |
AB4C19D28 |
-7.7 |
3.3 |
-8.87 |
-0.71 |
0 |
|
|
417988 |
135103221 |
1 |
N2O3C23H24 |
A2B3C23D24 |
-76.68 |
6.72 |
-9.04 |
-0.74 |
0 |
|
|
417989 |
135103222 |
1 |
ON2C15H22 |
AB2C15D22 |
-41.82 |
2.37 |
-8.52 |
0.1 |
0 |
|
|
417990 |
135103242 |
1 |
NO5C17H21 |
AB5C17D21 |
-173.2 |
7.4 |
-8.97 |
-0.48 |
0 |
|
|
417991 |
135103246 |
1 |
FN5O6C33H36 |
AB5C6D33E36 |
-221.03 |
7.42 |
-9.29 |
-0.65 |
0 |
|
|
417992 |
135103250 |
1 |
ClON2C21H31 |
ABC2D21E31 |
-64.14 |
1.65 |
-8.11 |
0.18 |
0 |
|
|
417993 |
135103251 |
1 |
N6O9C39H50 |
A6B9C39D50 |
-338.25 |
2.98 |
-9.01 |
-0.85 |
0 |
|
|
417994 |
135103284 |
1 |
OS2N5C16H21 |
AB2C5D16E21 |
28.16 |
3.13 |
-9.06 |
-0.99 |
0 |
|
|
417995 |
135103287 |
1 |
N5O6C33H51 |
A5B6C33D51 |
-313.88 |
3.63 |
-8.89 |
0.11 |
0 |
|
|
417996 |
135103294 |
1 |
ClFOSN3C16H19 |
ABCDE3F16G19 |
-62.75 |
4.16 |
-9.03 |
-0.53 |
0 |
|
|
417997 |
135103295 |
1 |
O2N5C19H27 |
A2B5C19D27 |
-24.68 |
3.58 |
-9.39 |
0.03 |
0 |
|
|
417998 |
135103296 |
1 |
ON6C21H28 |
AB6C21D28 |
57.55 |
3.9 |
-8.81 |
-0.57 |
0 |
|
|
417999 |
135103297 |
1 |
SN4O4C26H26 |
AB4C4D26E26 |
-79.66 |
6.25 |
-8.98 |
-1.06 |
0 |
|
|
418000 |
135103298 |
2 |
NO2C10H15 |
AB2C10D15 |
-179.25 |
3.72 |
-8.87 |
0.1 |
0 |
|
|
418001 |
135103299 |
1 |
O2N3C21H29 |
A2B3C21D29 |
-56.72 |
4.74 |
-8.91 |
-0.22 |
0 |
|
|
418002 |
135103300 |
1 |
N2O4C19H24 |
A2B4C19D24 |
-144.23 |
10.15 |
-8.96 |
-0.35 |
0 |
|
|
418003 |
135103301 |
1 |
NO2C17H25 |
AB2C17D25 |
-81.75 |
1.88 |
-8.81 |
0.29 |
0 |
|
|
418004 |
135103304 |
1 |
O2N6C15H20 |
A2B6C15D20 |
-30.65 |
5.19 |
-9.03 |
-0.32 |
0 |
|
|
418005 |
135103305 |
1 |
O2N4C19H24 |
A2B4C19D24 |
-3.77 |
6.39 |
-8.84 |
-0.21 |
0 |
|
|
418006 |
135103306 |
1 |
FO2N4C20H23 |
AB2C4D20E23 |
-77.7 |
4.65 |
-8.53 |
-0.69 |
0 |
|
|
418007 |
135103307 |
1 |
N2O3C17H24 |
A2B3C17D24 |
-112.66 |
8.88 |
-8.93 |
-0.03 |
0 |
|
|
418008 |
135103308 |
1 |
ON5C21H27 |
AB5C21D27 |
-0.54 |
3.4 |
-8.49 |
0.01 |
0 |
|
|
418009 |
135103309 |
1 |
OSN5C19H23 |
ABC5D19E23 |
48.11 |
2.14 |
-8.36 |
-0.53 |
0 |
|
|
418010 |
135103310 |
1 |
NO3F4C18H23 |
AB3C4D18E23 |
-345.47 |
5.05 |
-9.0 |
-0.61 |
0 |
|
|
418011 |
135103311 |
1 |
ClN2O3C18H23 |
AB2C3D18E23 |
-106.96 |
4.74 |
-9.33 |
-0.28 |
0 |
|
|
418012 |
135103313 |
1 |
FO4N9C36H38 |
AB4C9D36E38 |
-76.04 |
8.52 |
-9.3 |
-0.91 |
0 |
|
|
418013 |
135103314 |
1 |
O5N7C33H41 |
A5B7C33D41 |
-82.18 |
10.84 |
-8.57 |
-0.28 |
0 |
|
|
418014 |
135103316 |
1 |
O5N7C35H43 |
A5B7C35D43 |
-145.56 |
4.05 |
-9.51 |
-1.28 |
0 |
|
|
418015 |
135103317 |
1 |
O2N3C18H25 |
A2B3C18D25 |
-68.16 |
3.09 |
-9.2 |
0.4 |
0 |
|
|
418016 |
135103319 |
1 |
SN7O8C29H45 |
AB7C8D29E45 |
-353.14 |
11.79 |
-9.55 |
-0.2 |
0 |
|
|
418017 |
135103320 |
1 |
N4O7C29H34 |
A4B7C29D34 |
-241.09 |
3.71 |
-8.9 |
-0.46 |
0 |
|
|
418018 |
135103321 |
2 |
NO3C9H10 |
AB3C9D10 |
-180.52 |
6.66 |
-9.77 |
-1.14 |
0 |
|
|
418019 |
135103322 |
1 |
N3O4C20H27 |
A3B4C20D27 |
-124.96 |
6.84 |
-8.43 |
-0.02 |
0 |
|
|
418020 |
135103323 |
1 |
O2N3C16H19 |
A2B3C16D19 |
-41.74 |
4.42 |
-9.27 |
-0.67 |
0 |
|
|
418021 |
135103324 |
1 |
ON4C22H32 |
AB4C22D32 |
-1.87 |
5.1 |
-8.69 |
-0.26 |
0 |
|
|
418022 |
135103325 |
1 |
N5C22H25 |
A5B22C25 |
84.09 |
3.77 |
-9.13 |
-0.51 |
0 |
|
|
418023 |
135103326 |
1 |
ON6C17H20 |
AB6C17D20 |
56.75 |
5.78 |
-8.36 |
-1.16 |
0 |
|
|
418024 |
135103327 |
1 |
O5N6C28H34 |
A5B6C28D34 |
-69.78 |
6.04 |
-8.68 |
-0.68 |
0 |
|
|
418025 |
135103345 |
1 |
N6C23H26 |
A6B23C26 |
75.27 |
3.05 |
-8.82 |
-0.44 |
0 |
|
|
418026 |
135103346 |
1 |
ClNO2C20H26 |
ABC2D20E26 |
-72.58 |
3.54 |
-8.49 |
-0.47 |
0 |
|
|
418027 |
135103347 |
1 |
SO6N9C41H51 |
AB6C9D41E51 |
-119.89 |
3.3 |
-8.96 |
-1.44 |
0 |
|
|
418028 |
135103348 |
1 |
N3O4C20H25 |
A3B4C20D25 |
-89.33 |
3.98 |
-9.03 |
-0.89 |
0 |
|
|
418029 |
135103349 |
1 |
N3O4C19H21 |
A3B4C19D21 |
-91.45 |
3.24 |
-8.56 |
-0.25 |
0 |
|
|
418031 |
135103355 |
1 |
ClF3N3H11C13 |
AB3C3D11E13 |
-114.97 |
3.22 |
-9.22 |
-0.82 |
0 |
|
|
418032 |
135103356 |
1 |
SN3O3C21H21 |
AB3C3D21E21 |
-64.18 |
4.42 |
-9.16 |
-0.83 |
0 |
|
|
418033 |
135103357 |
1 |
ON5C18H31 |
AB5C18D31 |
-28.96 |
2.45 |
-8.5 |
0.38 |
0 |
|
|
418034 |
135103358 |
1 |
N4O4C21H26 |
A4B4C21D26 |
-103.92 |
5.53 |
-8.44 |
-0.58 |
0 |
|
|
418035 |
135103359 |
1 |
NO3C19H29 |
AB3C19D29 |
-147.31 |
6.6 |
-9.51 |
0.24 |
0 |
|
|
418036 |
135103360 |
1 |
O7N8C42H54 |
A7B8C42D54 |
-248.0 |
8.73 |
-8.22 |
-0.35 |
0 |
|
|
418037 |
135103361 |
1 |
SN2O5C15H22 |
AB2C5D15E22 |
-194.1 |
6.47 |
-9.01 |
-0.19 |
0 |
|
|
418038 |
135103362 |
1 |
OF3N4C17H25 |
AB3C4D17E25 |
-179.35 |
6.49 |
-8.64 |
-0.13 |
0 |
|
|
418039 |
135103363 |
1 |
O2N3C16H23 |
A2B3C16D23 |
-72.86 |
1.22 |
-9.39 |
-0.36 |
0 |
|
|
418040 |
135103364 |
1 |
N7C24H35 |
A7B24C35 |
40.98 |
3.2 |
-8.42 |
0.03 |
0 |
|
|
418041 |
135103365 |
3 |
NO2C8H9 |
AB2C8D9 |
-136.03 |
3.91 |
-8.76 |
-0.56 |
0 |
|
|
418042 |
135103366 |
1 |
SN2O5C16H24 |
AB2C5D16E24 |
-192.25 |
2.6 |
-8.98 |
-0.04 |
0 |
|
|
418043 |
135103373 |
1 |
N4C17H30 |
A4B17C30 |
4.91 |
1.94 |
-8.59 |
-0.01 |
0 |
|
|
418044 |
135103375 |
1 |
OSF3N6C17H19 |
ABC3D6E17F19 |
-111.37 |
11.79 |
-9.23 |
-1.25 |
0 |
|
|
418045 |
135103378 |
1 |
ClNSO5C15H20 |
ABCD5E15F20 |
-214.03 |
2.6 |
-10.48 |
-1.33 |
0 |
|
|
418046 |
135103386 |
1 |
NSO4C18H21 |
ABC4D18E21 |
-150.63 |
6.58 |
-9.04 |
-0.92 |
0 |
|
|
418047 |
135103387 |
1 |
SO4N9C37H47 |
AB4C9D37E47 |
-79.68 |
6.03 |
-9.4 |
-1.1 |
0 |
|
|
418048 |
135103434 |
1 |
O3N4C15H18 |
A3B4C15D18 |
-76.75 |
3.13 |
-9.91 |
-0.69 |
0 |
|
|
418049 |
135103435 |
1 |
NO3C20H31 |
AB3C20D31 |
-153.54 |
6.27 |
-9.13 |
0.3 |
0 |
|
|
418050 |
135103436 |
1 |
O5N7C32H37 |
A5B7C32D37 |
-104.89 |
8.45 |
-8.32 |
-0.45 |
0 |
|
|
418051 |
135103437 |
1 |
N2O3C19H22 |
A2B3C19D22 |
-89.75 |
5.79 |
-9.33 |
-0.22 |
0 |
|
|
418052 |
135103438 |
1 |
ON5C21H25 |
AB5C21D25 |
41.41 |
3.4 |
-8.7 |
-0.86 |
0 |
|
|
418053 |
135103439 |
1 |
O2N4C21H30 |
A2B4C21D30 |
-64.02 |
4.05 |
-8.71 |
0.46 |
0 |
|
|
418054 |
135103440 |
1 |
ON4H20C22 |
AB4C20D22 |
55.16 |
6.3 |
-9.04 |
-0.86 |
0 |
|
|
418055 |
135103441 |
1 |
ClFN4O6C34H34 |
ABC4D6E34F34 |
-211.32 |
8.05 |
-8.98 |
-1.18 |
0 |
|
|
418056 |
135103442 |
1 |
N3O3C21H25 |
A3B3C21D25 |
-82.0 |
5.64 |
-9.33 |
-0.39 |
0 |
|
|
418057 |
135103443 |
1 |
S2O3N4C13H18 |
A2B3C4D13E18 |
-63.19 |
4.32 |
-8.64 |
-0.75 |
0 |
|
|
418058 |
135103444 |
1 |
O2N3C19H21 |
A2B3C19D21 |
-46.05 |
9.0 |
-9.22 |
-1.08 |
0 |
|
|
418059 |
135103445 |
1 |
SN2O3C17H24 |
AB2C3D17E24 |
-132.11 |
1.51 |
-9.0 |
-0.17 |
0 |
|
|
418060 |
135103446 |
1 |
O5N6C33H44 |
A5B6C33D44 |
-182.3 |
10.14 |
-9.21 |
-0.13 |
0 |
|
|
418061 |
135103450 |
1 |
OS2N5C21H23 |
AB2C5D21E23 |
69.15 |
2.57 |
-8.96 |
-0.98 |
0 |
|
|
418062 |
135103451 |
1 |
NO2S2C16H17 |
AB2C2D16E17 |
-32.16 |
5.25 |
-9.15 |
-0.43 |
0 |
|
|
418063 |
135103453 |
1 |
ON6C18H24 |
AB6C18D24 |
30.72 |
7.61 |
-8.44 |
-0.62 |
0 |
|
|
418064 |
135103454 |
1 |
O2F3N3C21H22 |
A2B3C3D21E22 |
-155.6 |
8.11 |
-9.02 |
-1.0 |
0 |
|
|
418065 |
135103455 |
1 |
ClON3C22H28 |
ABC3D22E28 |
-15.19 |
2.71 |
-8.43 |
-0.26 |
0 |
|
|
418066 |
135103456 |
1 |
ClO2N3C19H22 |
AB2C3D19E22 |
-40.95 |
4.24 |
-8.73 |
-0.61 |
0 |
|
|
418067 |
135103458 |
1 |
SN4O6C31H34 |
AB4C6D31E34 |
-156.26 |
3.72 |
-9.04 |
-0.7 |
0 |
|
|
418068 |
135103459 |
1 |
SN3O4C15H23 |
AB3C4D15E23 |
-143.74 |
5.14 |
-9.36 |
-0.42 |
0 |
|
|
418069 |
135103460 |
1 |
SN4C14H20 |
AB4C14D20 |
31.07 |
4.82 |
-8.86 |
-0.53 |
0 |
|
|
418070 |
135103461 |
1 |
O6N8C39H46 |
A6B8C39D46 |
-176.44 |
12.48 |
-9.03 |
-0.28 |
0 |
|
|
418071 |
135103462 |
1 |
O3N4C14H18 |
A3B4C14D18 |
-77.85 |
2.5 |
-9.76 |
-0.58 |
0 |
|
|
418072 |
135103463 |
1 |
FSN2O4C15H21 |
ABC2D4E15F21 |
-202.32 |
5.16 |
-9.61 |
-0.05 |
0 |
|
|
418073 |
135103464 |
1 |
SN2O3C15H26 |
AB2C3D15E26 |
-149.87 |
3.55 |
-8.64 |
0.66 |
0 |
|
|
418074 |
135103465 |
1 |
SO6N10C39H52 |
AB6C10D39E52 |
-127.58 |
13.79 |
-8.47 |
-1.5 |
0 |
|
|
418075 |
135103467 |
1 |
SN2O3C19H28 |
AB2C3D19E28 |
-118.61 |
5.64 |
-8.52 |
0.02 |
0 |
|
|
418076 |
135103483 |
1 |
N5O5C26H31 |
A5B5C26D31 |
-93.82 |
2.98 |
-8.91 |
-0.17 |
0 |