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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
33037 |
7850442 |
1 |
O4N5C17H23 |
A4B5C17D23 |
-66.35 |
3.95 |
-8.53 |
-0.76 |
0 |
|
|
33038 |
7850443 |
1 |
NO6C21H21 |
AB6C21D21 |
-183.6 |
7.82 |
-8.32 |
-1.1 |
0 |
|
|
33039 |
7850448 |
1 |
SN2O3H20C22 |
AB2C3D20E22 |
-36.57 |
1.81 |
-9.12 |
-1.16 |
0 |
|
|
33040 |
7850450 |
1 |
SN3O4C21H25 |
AB3C4D21E25 |
-124.44 |
10.04 |
-9.14 |
-1.03 |
0 |
|
|
33041 |
7850453 |
1 |
FSN2O3H17C21 |
ABC2D3E17F21 |
-74.82 |
3.19 |
-9.21 |
-1.26 |
0 |
|
|
33042 |
7850454 |
1 |
SN4O5H18C19 |
AB4C5D18E19 |
-131.37 |
6.57 |
-8.93 |
-0.78 |
0 |
|
|
33043 |
7850455 |
1 |
ClN2O4H17C18 |
AB2C4D17E18 |
-105.48 |
4.85 |
-9.22 |
-1.02 |
0 |
|
|
33044 |
7850456 |
1 |
SN3O3H17C22 |
AB3C3D17E22 |
-0.01 |
8.39 |
-8.98 |
-0.84 |
0 |
|
|
33045 |
7850458 |
1 |
SN3O4C19H21 |
AB3C4D19E21 |
-109.89 |
6.04 |
-9.3 |
-1.42 |
0 |
|
|
33046 |
7850459 |
1 |
ClNO4C20H20 |
ABC4D20E20 |
-121.6 |
3.86 |
-9.24 |
-1.05 |
0 |
|
|
33047 |
7850460 |
1 |
SN3O5C19H21 |
AB3C5D19E21 |
-142.11 |
7.98 |
-9.06 |
-0.97 |
0 |
|
|
33048 |
7850465 |
1 |
SN3O4C20H23 |
AB3C4D20E23 |
-123.15 |
6.76 |
-9.04 |
-0.94 |
0 |
|
|
33049 |
7850466 |
1 |
N2O5H16C18 |
A2B5C16D18 |
-77.76 |
6.38 |
-9.12 |
-1.03 |
0 |
|
|
33050 |
7850471 |
1 |
SN3O4C20H23 |
AB3C4D20E23 |
-117.26 |
8.29 |
-9.04 |
-0.95 |
0 |
|
|
33051 |
7850478 |
1 |
N2O5C17H22 |
A2B5C17D22 |
-192.25 |
7.04 |
-9.01 |
-0.7 |
0 |
|
|
33052 |
7850492 |
1 |
SN3O3H15C17 |
AB3C3D15E17 |
-23.83 |
4.92 |
-9.26 |
-1.39 |
0 |
|
|
33053 |
7850495 |
1 |
SN3O4C20H21 |
AB3C4D20E21 |
-79.14 |
4.47 |
-9.04 |
-1.05 |
0 |
|
|
33054 |
7850497 |
2 |
O2C11H11 |
A2B11C11 |
-109.81 |
3.22 |
-8.91 |
-0.64 |
0 |
|
|
33055 |
7850502 |
1 |
SN2O4H20C22 |
AB2C4D20E22 |
-66.63 |
0.76 |
-8.93 |
-1.09 |
0 |
|
|
33056 |
7850503 |
1 |
SN2O3H20C22 |
AB2C3D20E22 |
-34.93 |
1.95 |
-9.16 |
-1.18 |
0 |
|
|
33057 |
7850505 |
1 |
FSN2O3H17C21 |
ABC2D3E17F21 |
-79.51 |
6.38 |
-8.97 |
-0.8 |
0 |
|
|
33058 |
7850506 |
1 |
NO4H23C25 |
AB4C23D25 |
-86.87 |
5.86 |
-8.7 |
-0.96 |
0 |
|
|
33059 |
7850507 |
1 |
SN3O3H17C22 |
AB3C3D17E22 |
-0.22 |
6.84 |
-9.02 |
-0.87 |
0 |
|
|
33060 |
7850508 |
2 |
ClNO2H8C9 |
ABC2D8E9 |
-110.3 |
6.98 |
-9.07 |
-1.13 |
0 |
|
|
33061 |
7850509 |
1 |
ClSN2O3H17C21 |
ABC2D3E17F21 |
-36.47 |
3.79 |
-9.22 |
-1.17 |
0 |
|
|
33062 |
7850519 |
1 |
SN2O5H16C18 |
AB2C5D16E18 |
-128.13 |
6.57 |
-9.28 |
-1.36 |
0 |
|
|
33063 |
7850523 |
1 |
SN2O4C20H22 |
AB2C4D20E22 |
-109.19 |
6.11 |
-8.83 |
-0.69 |
0 |
|
|
33064 |
7850526 |
1 |
NO6C20H25 |
AB6C20D25 |
-230.29 |
5.92 |
-9.1 |
-0.87 |
0 |
|
|
33065 |
7850615 |
1 |
NSO4H17C19 |
ABC4D17E19 |
-67.25 |
4.19 |
-9.07 |
-0.87 |
0 |
|
|
33066 |
7850616 |
1 |
N2O5C16H18 |
A2B5C16D18 |
-170.0 |
3.45 |
-9.0 |
-0.65 |
0 |
|
|
33067 |
7850680 |
1 |
NO4H25C26 |
AB4C25D26 |
-91.24 |
5.23 |
-8.77 |
-0.77 |
0 |
|
|
33068 |
7850684 |
1 |
NO4C22H25 |
AB4C22D25 |
-116.9 |
4.24 |
-9.07 |
-0.81 |
0 |
|
|
33069 |
7850686 |
1 |
NO6C22H23 |
AB6C22D23 |
-184.95 |
7.91 |
-8.85 |
-0.97 |
0 |
|
|
33070 |
7850689 |
1 |
NO4C23H25 |
AB4C23D25 |
-120.72 |
5.42 |
-9.13 |
-0.93 |
0 |
|
|
33071 |
7850692 |
1 |
N2O5C19H26 |
A2B5C19D26 |
-200.78 |
3.13 |
-9.04 |
-0.75 |
0 |
|
|
33072 |
7850693 |
1 |
NO5H19C20 |
AB5C19D20 |
-147.46 |
3.43 |
-9.01 |
-0.68 |
0 |
|
|
33073 |
7850694 |
3 |
O2H6C7 |
A2B6C7 |
-179.39 |
3.61 |
-9.09 |
-1.02 |
0 |
|
|
33074 |
7850768 |
1 |
NSO6C21H29 |
ABC6D21E29 |
-239.01 |
7.96 |
-9.06 |
-0.77 |
0 |
|
|
33075 |
7850784 |
1 |
N2O6C21H26 |
A2B6C21D26 |
-234.95 |
4.09 |
-9.18 |
-1.01 |
0 |
|
|
33076 |
7850853 |
1 |
N2O3C23H24 |
A2B3C23D24 |
-73.84 |
3.27 |
-8.56 |
-0.58 |
0 |
|
|
33077 |
7850891 |
1 |
FNO2H16C19 |
ABC2D16E19 |
-69.7 |
4.22 |
-8.9 |
-0.66 |
0 |
|
|
33078 |
7850892 |
1 |
NO2H21C22 |
AB2C21D22 |
-31.28 |
3.34 |
-8.7 |
-0.47 |
0 |
|
|
33079 |
7850912 |
1 |
SN2O4C22H22 |
AB2C4D22E22 |
-70.96 |
3.78 |
-8.9 |
-1.18 |
0 |
|
|
33080 |
7850913 |
1 |
ClSN2O4H19C20 |
ABC2D4E19F20 |
-92.27 |
5.05 |
-8.68 |
-1.06 |
0 |
|
|
33081 |
7850920 |
1 |
O3H16C19 |
A3B16C19 |
-43.7 |
6.38 |
-8.26 |
-0.7 |
0 |
|
|
33082 |
7850921 |
1 |
FN2O5C21H21 |
AB2C5D21E21 |
-204.88 |
4.55 |
-8.9 |
-1.05 |
0 |
|
|
33083 |
7850923 |
1 |
NO2H19C20 |
AB2C19D20 |
-31.44 |
2.54 |
-8.64 |
-0.55 |
0 |
|
|
33084 |
7850928 |
1 |
NO2C17H21 |
AB2C17D21 |
-67.75 |
2.93 |
-8.72 |
-0.5 |
0 |
|
|
33085 |
7850945 |
1 |
NO2C21H21 |
AB2C21D21 |
-24.95 |
3.03 |
-8.71 |
-0.49 |
0 |
|
|
33086 |
7850952 |
1 |
N3O4H17C19 |
A3B4C17D19 |
-57.6 |
5.96 |
-9.04 |
-1.21 |
0 |
|
|
33087 |
7850953 |
1 |
NSO4H19C20 |
ABC4D19E20 |
-119.91 |
3.25 |
-8.64 |
-0.74 |
0 |
|
|
33088 |
7850954 |
1 |
NO6H19C21 |
AB6C19D21 |
-172.16 |
6.13 |
-9.05 |
-1.0 |
0 |
|
|
33089 |
7850955 |
2 |
FOH6C9 |
ABC6D9 |
-93.14 |
3.4 |
-8.82 |
-1.22 |
0 |
|
|
33090 |
7850975 |
1 |
NO2C19H19 |
AB2C19D19 |
-24.41 |
7.6 |
-8.22 |
-0.02 |
0 |
|
|
33091 |
7850977 |
1 |
NO3H19C21 |
AB3C19D21 |
-56.77 |
6.44 |
-8.38 |
-0.84 |
0 |
|
|
33092 |
7850979 |
1 |
N2O3C14H14 |
A2B3C14D14 |
-79.1 |
4.66 |
-8.5 |
-0.27 |
0 |
|
|
33093 |
7850988 |
2 |
OSN3C9H13 |
ABC3D9E13 |
-14.59 |
5.69 |
-8.6 |
-0.61 |
0 |
|
|
33094 |
7850989 |
1 |
FNO2H16C19 |
ABC2D16E19 |
-66.08 |
1.51 |
-8.75 |
-0.51 |
0 |
|
|
33095 |
7850993 |
1 |
NO4C15H15 |
AB4C15D15 |
-129.27 |
4.48 |
-8.9 |
-0.64 |
0 |
|
|
33096 |
7850994 |
1 |
NO4H19C21 |
AB4C19D21 |
-94.37 |
1.53 |
-8.39 |
-0.57 |
0 |
|
|
33097 |
7850998 |
2 |
NOH8C10 |
ABC8D10 |
10.41 |
4.0 |
-8.92 |
-0.74 |
0 |
|
|
33098 |
7851013 |
1 |
SN2O4H18C19 |
AB2C4D18E19 |
-98.58 |
6.75 |
-9.02 |
-0.8 |
0 |
|
|
33099 |
7851037 |
1 |
N2O3H18C20 |
A2B3C18D20 |
-64.82 |
4.49 |
-8.88 |
-0.64 |
0 |
|
|
33100 |
7851119 |
1 |
NO4C14H17 |
AB4C14D17 |
-163.56 |
6.49 |
-9.07 |
-0.53 |
0 |
|
|
33101 |
7851125 |
1 |
NO5C14H19 |
AB5C14D19 |
-223.77 |
4.72 |
-9.38 |
-0.39 |
0 |
|
|
33102 |
7851320 |
1 |
NO3C16H17 |
AB3C16D17 |
-106.52 |
4.93 |
-8.59 |
-0.49 |
0 |
|
|
33103 |
7851333 |
1 |
NO3C15H17 |
AB3C15D17 |
-109.51 |
3.95 |
-8.81 |
-0.39 |
0 |
|
|
33104 |
7851334 |
1 |
NO5C14H19 |
AB5C14D19 |
-221.48 |
3.29 |
-9.47 |
-0.52 |
0 |
|
|
33105 |
7851352 |
1 |
BrNO3C11H12 |
ABC3D11E12 |
-113.47 |
4.99 |
-9.0 |
-0.47 |
0 |
|
|
33106 |
7851383 |
1 |
SN2O5C15H22 |
AB2C5D15E22 |
-209.89 |
8.54 |
-9.4 |
-0.72 |
0 |
|
|
33107 |
7851386 |
1 |
NO7C15H17 |
AB7C15D17 |
-282.89 |
5.37 |
-9.44 |
-1.25 |
0 |
|
|
33108 |
7851400 |
1 |
SN2O5C17H24 |
AB2C5D17E24 |
-211.45 |
5.54 |
-9.01 |
-0.51 |
0 |
|
|
33109 |
7851410 |
1 |
NCl2O3C11H11 |
AB2C3D11E11 |
-133.32 |
4.13 |
-9.06 |
-0.68 |
0 |
|
|
33110 |
7851417 |
1 |
NO5C13H17 |
AB5C13D17 |
-189.4 |
5.0 |
-8.12 |
0.01 |
0 |
|
|
33111 |
7851430 |
1 |
N2F3O4C13H13 |
A2B3C4D13E13 |
-291.44 |
5.5 |
-9.28 |
-0.64 |
0 |
|
|
33112 |
7884953 |
1 |
N2O6C21H24 |
A2B6C21D24 |
-212.6 |
6.48 |
-8.86 |
-0.26 |
0 |
|
|
33113 |
7884957 |
1 |
N2O6C19H26 |
A2B6C19D26 |
-243.45 |
6.1 |
-9.22 |
-0.23 |
0 |
|
|
33114 |
7884958 |
1 |
N2O6C19H26 |
A2B6C19D26 |
-244.76 |
2.39 |
-9.21 |
-0.35 |
0 |
|
|
33115 |
7884961 |
1 |
FNO5H18C19 |
ABC5D18E19 |
-199.59 |
4.57 |
-9.2 |
-0.59 |
0 |
|
|
33116 |
7884965 |
1 |
NO4C21H25 |
AB4C21D25 |
-144.6 |
6.47 |
-9.2 |
-0.08 |
0 |
|
|
33117 |
7884976 |
1 |
NO4F5H14C18 |
AB4C5D14E18 |
-341.93 |
4.67 |
-9.28 |
-1.58 |
0 |
|
|
33118 |
7884977 |
1 |
NO4C19H21 |
AB4C19D21 |
-136.23 |
5.33 |
-9.21 |
-0.14 |
0 |
|
|
33119 |
7884978 |
1 |
N4O4C21H28 |
A4B4C21D28 |
-140.79 |
9.8 |
-8.56 |
-0.53 |
0 |
|
|
33120 |
7884979 |
1 |
N4O4C21H28 |
A4B4C21D28 |
-137.57 |
4.61 |
-9.41 |
-0.44 |
0 |
|
|
33121 |
7884990 |
1 |
N2O4C23H28 |
A2B4C23D28 |
-162.97 |
6.26 |
-9.0 |
-0.43 |
0 |
|
|
33122 |
7885005 |
1 |
N3O6C20H21 |
A3B6C20D21 |
-147.68 |
4.97 |
-9.45 |
-1.67 |
0 |
|
|
33123 |
7885007 |
1 |
ClN3O4C18H18 |
AB3C4D18E18 |
-128.64 |
7.66 |
-9.24 |
-0.75 |
0 |
|
|
33124 |
7885015 |
1 |
NO4C22H25 |
AB4C22D25 |
-155.18 |
4.93 |
-9.42 |
-0.17 |
0 |
|
|
33125 |
7885016 |
1 |
N3O5C17H19 |
A3B5C17D19 |
-142.09 |
8.25 |
-9.41 |
-0.45 |
0 |
|
|
33126 |
7885018 |
2 |
NO3C11H13 |
AB3C11D13 |
-240.57 |
4.8 |
-9.18 |
-0.07 |
0 |
|
|
33127 |
7885040 |
1 |
N2O4H24C25 |
A2B4C24D25 |
-110.45 |
2.24 |
-8.89 |
-0.29 |
0 |
|
|
33128 |
7885069 |
1 |
NO4C21H23 |
AB4C21D23 |
-138.56 |
3.46 |
-9.42 |
-0.72 |
0 |
|
|
33129 |
7885072 |
1 |
N2O4C25H32 |
A2B4C25D32 |
-164.88 |
3.9 |
-9.31 |
-0.22 |
0 |
|
|
33130 |
7885073 |
1 |
NF2O5C21H21 |
AB2C5D21E21 |
-278.84 |
5.06 |
-9.36 |
-0.84 |
0 |
|
|
33131 |
7885076 |
1 |
NO5C21H23 |
AB5C21D23 |
-179.59 |
8.45 |
-9.33 |
-0.41 |
0 |
|
|
33132 |
7885077 |
2 |
NO2C8H11 |
AB2C8D11 |
-178.16 |
3.0 |
-9.53 |
-0.17 |
0 |
|
|
33133 |
7885088 |
2 |
NO2C11H13 |
AB2C11D13 |
-130.57 |
6.51 |
-8.84 |
0.04 |
0 |
|
|
33134 |
7885089 |
1 |
N2O5C24H26 |
A2B5C24D26 |
-152.27 |
9.75 |
-8.96 |
-0.19 |
0 |
|
|
33135 |
7885090 |
1 |
N3O4C19H25 |
A3B4C19D25 |
-151.83 |
5.4 |
-9.62 |
-0.31 |
0 |
|
|
33136 |
7885091 |
1 |
N3O4C19H25 |
A3B4C19D25 |
-151.69 |
8.52 |
-9.69 |
-0.48 |
0 |