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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
371292 |
127345493 |
1 |
ClSN2O4C16H21 |
ABC2D4E16F21 |
-155.48 |
4.78 |
-9.39 |
-1.14 |
0 |
|
|
371293 |
127345541 |
1 |
SN2O2C18H20 |
AB2C2D18E20 |
-39.75 |
2.44 |
-8.63 |
-0.7 |
0 |
|
|
371294 |
127345542 |
1 |
SN2O5C18H26 |
AB2C5D18E26 |
-201.25 |
6.02 |
-8.86 |
-0.6 |
0 |
|
|
371295 |
127345543 |
1 |
N2O3C16H20 |
A2B3C16D20 |
-118.28 |
8.93 |
-8.29 |
-0.07 |
0 |
|
|
371296 |
127345556 |
1 |
SN2O4C13H18 |
AB2C4D13E18 |
-125.25 |
7.19 |
-9.83 |
-0.51 |
0 |
|
|
371297 |
127345557 |
1 |
N2O3C12H20 |
A2B3C12D20 |
-122.51 |
3.45 |
-9.6 |
0.45 |
0 |
|
|
371298 |
127345576 |
1 |
O3N5C18H19 |
A3B5C18D19 |
-57.72 |
5.23 |
-8.54 |
-0.98 |
0 |
|
|
371299 |
127345577 |
1 |
SO3N4C13H14 |
AB3C4D13E14 |
-46.09 |
4.25 |
-9.68 |
-1.29 |
0 |
|
|
371300 |
127345582 |
1 |
ON4C19H24 |
AB4C19D24 |
6.68 |
5.09 |
-9.39 |
-1.01 |
0 |
|
|
371301 |
127345583 |
2 |
NOC8H12 |
ABC8D12 |
-97.3 |
1.85 |
-9.56 |
-0.2 |
0 |
|
|
371302 |
127345653 |
1 |
O2N3C11H17 |
A2B3C11D17 |
-60.36 |
2.66 |
-9.12 |
0.22 |
0 |
|
|
371303 |
127345654 |
1 |
ON4C20H24 |
AB4C20D24 |
20.47 |
4.09 |
-9.38 |
-0.92 |
0 |
|
|
371304 |
127345655 |
1 |
ON4C19H22 |
AB4C19D22 |
30.67 |
4.82 |
-9.43 |
-1.04 |
0 |
|
|
371305 |
127345656 |
1 |
ClN2O3C18H25 |
AB2C3D18E25 |
-123.75 |
3.94 |
-8.8 |
-0.49 |
0 |
|
|
371306 |
127345657 |
1 |
O2N3C17H21 |
A2B3C17D21 |
-42.3 |
5.05 |
-8.88 |
-0.42 |
0 |
|
|
371307 |
127345658 |
1 |
NSO4C17H23 |
ABC4D17E23 |
-165.09 |
6.1 |
-9.62 |
-0.71 |
0 |
|
|
371308 |
127345659 |
1 |
N2O3C15H18 |
A2B3C15D18 |
-125.89 |
5.62 |
-8.51 |
-0.31 |
0 |
|
|
371309 |
127345660 |
1 |
Cl2N2O3C17H20 |
A2B2C3D17E20 |
-137.53 |
1.9 |
-9.5 |
-0.68 |
0 |
|
|
371310 |
127345661 |
1 |
Cl2N2O3C18H22 |
A2B2C3D18E22 |
-140.58 |
8.26 |
-8.87 |
-0.43 |
0 |
|
|
371311 |
127345662 |
1 |
SO2N4C18H22 |
AB2C4D18E22 |
-9.24 |
3.51 |
-8.93 |
-1.12 |
0 |
|
|
371312 |
127345663 |
1 |
N2O3C17H24 |
A2B3C17D24 |
-117.15 |
2.96 |
-8.32 |
0.01 |
0 |
|
|
371313 |
127345676 |
1 |
N2O3C12H20 |
A2B3C12D20 |
-149.69 |
8.59 |
-9.62 |
0.64 |
0 |
|
|
371314 |
127345677 |
1 |
Cl2N2O3C18H22 |
A2B2C3D18E22 |
-142.14 |
4.66 |
-8.89 |
-0.48 |
0 |
|
|
371315 |
127345678 |
1 |
O2N3C12H19 |
A2B3C12D19 |
-60.35 |
4.68 |
-9.5 |
0.3 |
0 |
|
|
371316 |
127345679 |
1 |
N2O3C13H18 |
A2B3C13D18 |
-110.83 |
5.49 |
-8.8 |
-0.33 |
0 |
|
|
371317 |
127345680 |
1 |
ClN2O3C16H19 |
AB2C3D16E19 |
-128.35 |
5.1 |
-8.73 |
-0.3 |
0 |
|
|
371318 |
127345681 |
1 |
O3N4C16H24 |
A3B4C16D24 |
-99.63 |
4.69 |
-8.75 |
-0.18 |
0 |
|
|
371319 |
127345682 |
1 |
NSO4C16H21 |
ABC4D16E21 |
-160.81 |
8.29 |
-9.32 |
-0.58 |
0 |
|
|
371320 |
127345683 |
1 |
O2N3C17H21 |
A2B3C17D21 |
-43.44 |
3.53 |
-8.89 |
-0.3 |
0 |
|
|
371321 |
127345686 |
1 |
N2O3C17H24 |
A2B3C17D24 |
-123.89 |
5.84 |
-9.39 |
-0.32 |
0 |
|
|
371322 |
127345687 |
1 |
N2O3C20H28 |
A2B3C20D28 |
-138.39 |
6.73 |
-9.02 |
-0.35 |
0 |
|
|
371323 |
127345688 |
1 |
N2O3C16H20 |
A2B3C16D20 |
-118.75 |
2.62 |
-9.0 |
-0.31 |
0 |
|
|
371324 |
127345689 |
1 |
O2N3C17H23 |
A2B3C17D23 |
-67.64 |
3.6 |
-8.98 |
-0.21 |
0 |
|
|
371325 |
127345692 |
2 |
NO2C9H12 |
AB2C9D12 |
-161.25 |
3.68 |
-8.97 |
-0.21 |
0 |
|
|
371326 |
127345693 |
1 |
SN4O4C17H26 |
AB4C4D17E26 |
-142.57 |
3.99 |
-8.45 |
0.19 |
0 |
|
|
371327 |
127345696 |
1 |
SN2O2C13H14 |
AB2C2D13E14 |
-44.07 |
4.1 |
-8.98 |
-0.82 |
0 |
|
|
371328 |
127345697 |
1 |
O2N3C16H23 |
A2B3C16D23 |
-73.63 |
4.75 |
-8.75 |
0.0 |
0 |
|
|
371329 |
127345709 |
1 |
N3O3C15H19 |
A3B3C15D19 |
-110.65 |
3.77 |
-8.69 |
0.02 |
0 |
|
|
371330 |
127345710 |
1 |
O2N5C14H17 |
A2B5C14D17 |
4.57 |
9.42 |
-9.42 |
-1.13 |
0 |
|
|
371331 |
127345718 |
1 |
N2O3C17H24 |
A2B3C17D24 |
-125.31 |
2.49 |
-9.25 |
-0.14 |
0 |
|
|
371332 |
127345719 |
1 |
O2S2N3C12H15 |
A2B2C3D12E15 |
-30.25 |
1.45 |
-9.19 |
-1.13 |
0 |
|
|
371333 |
127345720 |
1 |
N2F3O3C12H13 |
A2B3C3D12E13 |
-277.93 |
3.79 |
-9.27 |
-1.14 |
0 |
|
|
371334 |
127345732 |
1 |
N2O3C19H28 |
A2B3C19D28 |
-130.64 |
5.28 |
-8.72 |
0.09 |
0 |
|
|
371335 |
127345733 |
1 |
O2N4C15H22 |
A2B4C15D22 |
-62.22 |
2.89 |
-8.81 |
-0.13 |
0 |
|
|
371336 |
127345741 |
1 |
N3O3C20H25 |
A3B3C20D25 |
-101.02 |
7.24 |
-8.74 |
-0.25 |
0 |
|
|
371337 |
127345742 |
1 |
N3O3C18H25 |
A3B3C18D25 |
-115.46 |
9.32 |
-9.08 |
-0.29 |
0 |
|
|
371338 |
127345752 |
1 |
ClN2O3C19H25 |
AB2C3D19E25 |
-141.31 |
6.3 |
-9.25 |
-0.6 |
0 |
|
|
371339 |
127345753 |
1 |
FO2N3C17H20 |
AB2C3D17E20 |
-87.08 |
3.72 |
-8.84 |
-0.65 |
0 |
|
|
371340 |
127345768 |
1 |
O2N3C10H15 |
A2B3C10D15 |
-52.16 |
2.02 |
-8.71 |
0.44 |
0 |
|
|
371341 |
127345769 |
1 |
O3N4C14H20 |
A3B4C14D20 |
-75.63 |
4.37 |
-8.98 |
0.14 |
0 |
|
|
371342 |
127345792 |
1 |
NO4C20H27 |
AB4C20D27 |
-160.34 |
4.97 |
-8.86 |
-0.21 |
0 |
|
|
371343 |
127345793 |
1 |
O3N4C21H26 |
A3B4C21D26 |
-60.17 |
3.9 |
-8.13 |
-0.32 |
0 |
|
|
371344 |
127345802 |
1 |
O2N3C14H21 |
A2B3C14D21 |
-73.25 |
5.75 |
-9.35 |
-0.61 |
0 |
|
|
371345 |
127345803 |
1 |
SO2N3C16H19 |
AB2C3D16E19 |
-29.43 |
5.48 |
-9.17 |
-1.02 |
0 |
|
|
371346 |
127345809 |
1 |
O2N3C17H21 |
A2B3C17D21 |
-47.18 |
1.66 |
-8.18 |
-0.57 |
0 |
|
|
371347 |
127345810 |
1 |
N2O3C18H24 |
A2B3C18D24 |
-129.87 |
7.69 |
-8.78 |
-0.02 |
0 |
|
|
371348 |
127345811 |
1 |
N2O4C19H26 |
A2B4C19D26 |
-159.59 |
1.12 |
-9.12 |
-0.05 |
0 |
|
|
371349 |
127345817 |
1 |
SN2O2C16H20 |
AB2C2D16E20 |
-66.73 |
1.74 |
-8.85 |
-0.67 |
0 |
|
|
371350 |
127345818 |
1 |
NO4C19H25 |
AB4C19D25 |
-158.87 |
6.76 |
-8.82 |
-0.1 |
0 |
|
|
371351 |
127345829 |
1 |
SN2O2C16H20 |
AB2C2D16E20 |
-63.56 |
4.9 |
-9.16 |
-0.73 |
0 |
|
|
371352 |
127345841 |
1 |
N2O3C18H24 |
A2B3C18D24 |
-129.56 |
5.68 |
-8.98 |
-0.07 |
0 |
|
|
371353 |
127345842 |
1 |
O2N4C15H18 |
A2B4C15D18 |
-31.22 |
4.05 |
-8.66 |
-0.36 |
0 |
|
|
371354 |
127345843 |
1 |
N2O3C18H24 |
A2B3C18D24 |
-125.9 |
5.65 |
-9.03 |
-0.33 |
0 |
|
|
371355 |
127345844 |
1 |
N2O3C12H16 |
A2B3C12D16 |
-100.84 |
6.59 |
-9.0 |
-0.42 |
0 |
|
|
371356 |
127345845 |
1 |
N2O3C18H24 |
A2B3C18D24 |
-124.9 |
5.46 |
-8.98 |
-0.19 |
0 |
|
|
371357 |
127345846 |
1 |
N3O3C18H25 |
A3B3C18D25 |
-124.71 |
8.36 |
-8.6 |
0.09 |
0 |
|
|
371358 |
127345847 |
1 |
SN2O3C18H24 |
AB2C3D18E24 |
-122.44 |
2.28 |
-8.8 |
-0.05 |
0 |
|
|
371359 |
127345848 |
1 |
SN2O3C18H24 |
AB2C3D18E24 |
-122.54 |
4.46 |
-8.88 |
-0.28 |
0 |
|
|
371360 |
127345849 |
1 |
SN2O2C16H24 |
AB2C2D16E24 |
-86.94 |
5.54 |
-8.8 |
-0.37 |
0 |
|
|
371361 |
127345965 |
1 |
NSO3C19H27 |
ABC3D19E27 |
-122.8 |
1.7 |
-8.3 |
0.01 |
0 |
|
|
371362 |
127345966 |
1 |
N2O3C18H26 |
A2B3C18D26 |
-123.43 |
3.12 |
-8.28 |
0.54 |
0 |
|
|
371363 |
127345967 |
1 |
O3N4C18H30 |
A3B4C18D30 |
-105.56 |
4.06 |
-8.66 |
-0.2 |
0 |
|
|
371364 |
127345968 |
1 |
N2O4C19H26 |
A2B4C19D26 |
-166.18 |
5.26 |
-8.56 |
-0.2 |
0 |
|
|
371365 |
127345972 |
1 |
N2O3C16H26 |
A2B3C16D26 |
-136.71 |
3.0 |
-9.35 |
-0.32 |
0 |
|
|
371366 |
127345978 |
1 |
N2O3C19H28 |
A2B3C19D28 |
-129.01 |
2.23 |
-8.9 |
0.03 |
0 |
|
|
371367 |
127345979 |
1 |
O2N5C22H29 |
A2B5C22D29 |
-32.45 |
5.46 |
-8.8 |
-0.79 |
0 |
|
|
371368 |
127346015 |
1 |
SN2O3C14H22 |
AB2C3D14E22 |
-122.03 |
2.58 |
-9.06 |
-0.14 |
0 |
|
|
371369 |
127346016 |
2 |
NOC8H9 |
ABC8D9 |
-48.33 |
7.43 |
-8.8 |
-0.12 |
0 |
|
|
371370 |
127346017 |
1 |
N2O2C17H20 |
A2B2C17D20 |
-49.35 |
4.42 |
-8.72 |
-0.05 |
0 |
|
|
371371 |
127346018 |
1 |
O3N5C20H21 |
A3B5C20D21 |
-49.43 |
4.9 |
-8.96 |
-0.48 |
0 |
|
|
371372 |
127346029 |
1 |
SN2O3C21H22 |
AB2C3D21E22 |
-50.08 |
3.73 |
-8.7 |
-0.4 |
0 |
|
|
371373 |
127346030 |
1 |
NO2C16H19 |
AB2C16D19 |
-51.51 |
4.51 |
-8.64 |
0.03 |
0 |
|
|
371374 |
127346033 |
1 |
ON4C22H22 |
AB4C22D22 |
69.63 |
3.99 |
-8.65 |
-0.45 |
0 |
|
|
371375 |
127346034 |
1 |
NOC14H15 |
ABC14D15 |
16.74 |
4.06 |
-8.54 |
0.1 |
0 |
|
|
371376 |
127346050 |
1 |
NSO3C14H25 |
ABC3D14E25 |
-165.32 |
9.64 |
-9.63 |
0.76 |
0 |
|
|
371377 |
127346051 |
1 |
NO2C13H23 |
AB2C13D23 |
-115.62 |
3.69 |
-9.42 |
0.93 |
0 |
|
|
371378 |
127346055 |
2 |
NOC8H14 |
ABC8D14 |
-129.44 |
6.95 |
-9.13 |
1.01 |
0 |
|
|
371379 |
127346056 |
1 |
NO3C13H23 |
AB3C13D23 |
-148.09 |
3.87 |
-9.28 |
0.86 |
0 |
|
|
371380 |
127346086 |
1 |
N2O4H22C23 |
A2B4C22D23 |
-90.13 |
4.93 |
-8.2 |
-0.1 |
0 |
|
|
371381 |
127346096 |
1 |
O2N4C23H26 |
A2B4C23D26 |
6.55 |
3.2 |
-8.33 |
-0.12 |
0 |
|
|
371382 |
127346098 |
1 |
SN3O3H19C20 |
AB3C3D19E20 |
-15.62 |
2.42 |
-9.48 |
-1.65 |
0 |
|
|
371383 |
127346099 |
1 |
NOC17H21 |
ABC17D21 |
-21.57 |
3.57 |
-9.34 |
0.17 |
0 |
|
|
371384 |
127346100 |
1 |
SN2O3C22H24 |
AB2C3D22E24 |
-60.25 |
7.16 |
-9.57 |
-0.78 |
0 |
|
|
371385 |
127346101 |
1 |
N3O3C16H17 |
A3B3C16D17 |
-86.64 |
7.65 |
-9.6 |
-0.09 |
0 |
|
|
371386 |
127346102 |
1 |
O2N3C15H15 |
A2B3C15D15 |
1.05 |
1.08 |
-9.5 |
-0.46 |
0 |
|
|
371387 |
127346104 |
1 |
O2N3H21C22 |
A2B3C21D22 |
41.17 |
4.01 |
-9.47 |
-1.0 |
0 |
|
|
371388 |
127346105 |
1 |
SN2O4C21H22 |
AB2C4D21E22 |
-86.26 |
4.9 |
-9.2 |
-0.82 |
0 |
|
|
371389 |
127346116 |
1 |
SN2O3C20H20 |
AB2C3D20E20 |
-28.41 |
4.89 |
-9.65 |
-0.9 |
0 |
|
|
371390 |
127346126 |
1 |
ON4C20H20 |
AB4C20D20 |
51.41 |
6.11 |
-9.1 |
-0.8 |
0 |
|
|
371391 |
127346127 |
1 |
O2N5H17C18 |
A2B5C17D18 |
23.91 |
0.97 |
-9.49 |
-0.77 |
0 |