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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
51028 |
12013642 |
1 |
NOS2C19H25 |
ABC2D19E25 |
-14.12 |
3.46 |
-9.06 |
-1.0 |
0 |
|
|
51029 |
12013644 |
1 |
SO2C20H22 |
AB2C20D22 |
-22.46 |
4.6 |
-8.36 |
-0.09 |
0 |
|
|
51030 |
12013645 |
1 |
SO3C18H18 |
AB3C18D18 |
-45.18 |
4.41 |
-8.36 |
-0.09 |
0 |
|
|
51031 |
12013646 |
1 |
SO2C13H16 |
AB2C13D16 |
-44.89 |
4.71 |
-8.34 |
-0.06 |
0 |
|
|
51032 |
12013647 |
1 |
SO2C18H18 |
AB2C18D18 |
-6.42 |
4.46 |
-8.4 |
-0.12 |
0 |
|
|
51033 |
12013648 |
1 |
SO2H14C16 |
AB2C14D16 |
1.82 |
3.99 |
-8.52 |
-0.22 |
0 |
|
|
51034 |
12013649 |
1 |
SO2C13H16 |
AB2C13D16 |
-35.85 |
4.86 |
-8.37 |
-0.1 |
0 |
|
|
51035 |
12013650 |
1 |
SO2C21H32 |
AB2C21D32 |
-74.75 |
2.94 |
-8.31 |
-0.02 |
0 |
|
|
51036 |
12013651 |
1 |
NO2C16H21 |
AB2C16D21 |
-70.3 |
4.34 |
-8.76 |
-0.3 |
0 |
|
|
51037 |
12013652 |
1 |
NOSC15H19 |
ABCD15E19 |
-24.98 |
1.28 |
-8.69 |
-0.69 |
0 |
|
|
51038 |
12013655 |
1 |
ON2H18C23 |
AB2C18D23 |
50.59 |
7.73 |
-9.04 |
-0.55 |
0 |
|
|
51039 |
12013656 |
1 |
ON2H20C24 |
AB2C20D24 |
41.44 |
7.15 |
-9.06 |
-0.56 |
0 |
|
|
51040 |
12013657 |
1 |
ON2H22C25 |
AB2C22D25 |
31.34 |
7.74 |
-9.03 |
-0.53 |
0 |
|
|
51041 |
12013658 |
1 |
ClON2H17C23 |
ABC2D17E23 |
40.42 |
6.75 |
-9.13 |
-0.63 |
0 |
|
|
51042 |
12013659 |
2 |
NOH9C12 |
ABC9D12 |
21.11 |
8.33 |
-8.94 |
-0.83 |
0 |
|
|
51043 |
12013660 |
1 |
ON2H16C18 |
AB2C16D18 |
21.49 |
7.42 |
-9.07 |
-0.55 |
0 |
|
|
51044 |
12013661 |
1 |
S2H18C19 |
A2B18C19 |
77.74 |
3.14 |
-8.41 |
-0.24 |
0 |
|
|
51045 |
12013662 |
1 |
S2H18C23 |
A2B18C23 |
117.91 |
2.88 |
-8.15 |
-0.3 |
0 |
|
|
51046 |
12013663 |
1 |
S2O4H18C19 |
A2B4C18D19 |
-71.67 |
9.97 |
-9.85 |
-0.72 |
0 |
|
|
51047 |
12013664 |
1 |
NO2C10H11 |
AB2C10D11 |
-49.31 |
3.43 |
-9.72 |
-0.03 |
0 |
|
|
51048 |
12013665 |
1 |
O3C10H10 |
A3B10C10 |
-92.44 |
5.07 |
-10.14 |
-0.46 |
0 |
|
|
51049 |
12013666 |
14 |
SiC6H11 |
AB6C11 |
-360.18 |
1.16 |
-7.54 |
0.61 |
0 |
|
|
51050 |
12013667 |
1 |
OC13H16 |
AB13C16 |
-19.99 |
0.87 |
-8.76 |
0.48 |
0 |
|
|
51051 |
12013668 |
1 |
OSiC17H26 |
ABC17D26 |
-80.41 |
0.64 |
-8.96 |
0.35 |
0 |
|
|
51052 |
12013669 |
1 |
OSiC17H26 |
ABC17D26 |
-84.07 |
0.79 |
-8.85 |
0.36 |
0 |
|
|
51053 |
12013670 |
1 |
OSiC20H32 |
ABC20D32 |
-91.84 |
0.69 |
-8.84 |
0.36 |
0 |
|
|
51054 |
12013671 |
1 |
OSiC17H32 |
ABC17D32 |
-131.58 |
0.94 |
-8.81 |
1.2 |
0 |
|
|
51055 |
12013672 |
1 |
OSiC19H30 |
ABC19D30 |
-97.66 |
0.73 |
-8.84 |
0.35 |
0 |
|
|
51057 |
12013674 |
1 |
N2S2O4C5H12 |
A2B2C4D5E12 |
-158.54 |
4.63 |
-10.04 |
-0.08 |
0 |
|
|
51058 |
12013675 |
1 |
OC15H20 |
AB15C20 |
-9.57 |
0.79 |
-9.24 |
0.34 |
0 |
|
|
51059 |
12013677 |
1 |
BrNH18C20 |
ABC18D20 |
77.52 |
3.45 |
-8.5 |
-0.68 |
0 |
|
|
51060 |
12013678 |
1 |
ClN2O3H25C31 |
AB2C3D25E31 |
-1.49 |
3.4 |
-8.74 |
-0.38 |
0 |
|
|
51061 |
12013679 |
1 |
ClN2O3H23C26 |
AB2C3D23E26 |
-37.63 |
5.04 |
-9.07 |
-0.36 |
0 |
|
|
51062 |
12013680 |
1 |
NOC14H19 |
ABC14D19 |
-39.68 |
4.24 |
-9.24 |
0.28 |
0 |
|
|
51063 |
12013681 |
1 |
NO2C15H21 |
AB2C15D21 |
-79.17 |
4.87 |
-8.7 |
0.22 |
0 |
|
|
51064 |
12013682 |
1 |
N2O2C5H10 |
A2B2C5D10 |
-57.48 |
2.91 |
-9.68 |
-0.03 |
0 |
|
|
51065 |
12013683 |
1 |
BrOH15C18 |
ABC15D18 |
16.95 |
3.74 |
-9.16 |
0.03 |
0 |
|
|
51066 |
12013684 |
1 |
BrFOH14C18 |
ABCD14E18 |
-29.32 |
5.52 |
-9.16 |
-0.2 |
0 |
|
|
51067 |
12013685 |
1 |
BrO2H17C18 |
AB2C17D18 |
-53.24 |
2.61 |
-9.37 |
-0.34 |
0 |
|
|
51068 |
12013687 |
1 |
BrO2C18H19 |
AB2C18D19 |
-59.27 |
5.03 |
-9.52 |
-0.16 |
0 |
|
|
51069 |
12013688 |
2 |
OC9H9 |
AB9C9 |
-18.12 |
3.32 |
-9.18 |
0.22 |
0 |
|
|
51070 |
12013690 |
1 |
FO2H17C18 |
AB2C17D18 |
-94.4 |
4.23 |
-9.36 |
-0.04 |
0 |
|
|
51071 |
12013691 |
1 |
ClNO3C11H12 |
ABC3D11E12 |
-130.29 |
5.1 |
-9.84 |
-0.4 |
0 |
|
|
51072 |
12013692 |
1 |
ClNO3C11H12 |
ABC3D11E12 |
-129.76 |
5.74 |
-9.7 |
-0.32 |
0 |
|
|
51073 |
12013693 |
1 |
ClNO3C11H12 |
ABC3D11E12 |
-129.26 |
7.35 |
-9.56 |
-0.32 |
0 |
|
|
51074 |
12013694 |
1 |
NO3C12H15 |
AB3C12D15 |
-129.75 |
7.95 |
-9.63 |
-0.16 |
0 |
|
|
51075 |
12013695 |
1 |
NO4C12H15 |
AB4C12D15 |
-160.26 |
8.15 |
-9.25 |
-0.34 |
0 |
|
|
51076 |
12013698 |
1 |
NO3C12H15 |
AB3C12D15 |
-124.92 |
6.84 |
-9.57 |
0.07 |
0 |
|
|
51077 |
12013699 |
2 |
NOC6H8 |
ABC6D8 |
-83.34 |
3.85 |
-9.44 |
0.32 |
0 |
|
|
51078 |
12013700 |
2 |
NOC4H8 |
ABC4D8 |
-118.79 |
4.09 |
-10.24 |
0.54 |
0 |
|
|
51079 |
12013702 |
1 |
SiO3C12H26 |
AB3C12D26 |
-224.74 |
1.91 |
-8.88 |
0.66 |
0 |
|
|
51080 |
12013703 |
1 |
NSO4C16H23 |
ABC4D16E23 |
-140.97 |
6.6 |
-8.75 |
-0.13 |
0 |
|
|
51081 |
12013704 |
1 |
NO4C14H17 |
AB4C14D17 |
-107.26 |
4.1 |
-9.49 |
-0.1 |
0 |
|
|
51082 |
12013705 |
1 |
NO4C18H23 |
AB4C18D23 |
-152.48 |
3.16 |
-9.04 |
0.2 |
0 |
|
|
51083 |
12013706 |
1 |
NO4C19H25 |
AB4C19D25 |
-162.15 |
4.54 |
-9.34 |
0.03 |
0 |
|
|
51086 |
12013709 |
2 |
NF2H6C8 |
AB2C6D8 |
-120.72 |
3.57 |
-9.71 |
-0.7 |
0 |
|
|
51087 |
12013710 |
2 |
NH3F5C8 |
AB3C5D8 |
-359.44 |
3.75 |
-9.94 |
-1.38 |
0 |
|
|
51088 |
12013711 |
1 |
NOF5H8C11 |
ABC5D8E11 |
-236.95 |
3.55 |
-9.29 |
-1.52 |
0 |
|
|
51089 |
12013712 |
2 |
OPC15H24 |
ABC15D24 |
-110.89 |
3.8 |
-7.78 |
0.34 |
0 |
|
|
51090 |
12013713 |
1 |
OPC28H31 |
ABC28D31 |
26.65 |
3.07 |
-8.18 |
-0.71 |
0 |
|
|
51091 |
12013714 |
1 |
NO2C15H27 |
AB2C15D27 |
-129.92 |
2.46 |
-9.36 |
0.94 |
0 |
|
|
51092 |
12013715 |
1 |
NO2C16H29 |
AB2C16D29 |
-134.49 |
2.87 |
-9.18 |
0.83 |
0 |
|
|
51093 |
12013716 |
1 |
ClSC8H13 |
ABC8D13 |
3.55 |
2.51 |
-8.52 |
0.06 |
0 |
|
|
51094 |
12013717 |
1 |
SC8H13 |
AB8C13 |
44.04 |
1.26 |
0.0 |
0.0 |
0 |
|
|
51095 |
12013718 |
1 |
SC14H24 |
AB14C24 |
13.75 |
1.85 |
-8.29 |
0.87 |
0 |
|
|
51096 |
12013719 |
1 |
NSO5C23H25 |
ABC5D23E25 |
-143.6 |
2.93 |
-8.39 |
-0.98 |
0 |
|
|
51097 |
12013721 |
1 |
NO6C15H21 |
AB6C15D21 |
-218.55 |
3.98 |
-9.51 |
-0.89 |
0 |
|
|
51098 |
12013722 |
1 |
N2O2Cl3H3C6 |
A2B2C3D3E6 |
0.83 |
3.61 |
-10.01 |
-1.53 |
0 |
|
|
51099 |
12013723 |
1 |
OH16C21 |
AB16C21 |
50.26 |
0.67 |
-8.45 |
-0.73 |
0 |
|
|
51100 |
12013724 |
1 |
OH14C20 |
AB14C20 |
59.12 |
0.56 |
-8.39 |
-0.86 |
0 |
|
|
51101 |
12013725 |
1 |
OH16C22 |
AB16C22 |
60.93 |
1.42 |
-8.41 |
-0.53 |
0 |
|
|
51102 |
12013726 |
2 |
OH14C20 |
AB14C20 |
99.96 |
0.22 |
-8.53 |
-0.61 |
0 |
|
|
51103 |
12013727 |
2 |
OH14C20 |
AB14C20 |
99.86 |
0.18 |
-8.51 |
-0.62 |
0 |
|
|
51104 |
12013728 |
2 |
OH16C22 |
AB16C22 |
131.6 |
1.13 |
-8.37 |
-0.49 |
0 |
|
|
51105 |
12013729 |
1 |
OH14C21 |
AB14C21 |
49.09 |
1.22 |
-8.33 |
-0.9 |
0 |
|
|
51106 |
12013730 |
1 |
OH16C21 |
AB16C21 |
37.33 |
1.92 |
-8.36 |
-0.44 |
0 |
|
|
51107 |
12013731 |
2 |
OH16C21 |
AB16C21 |
82.93 |
0.22 |
-8.5 |
-0.58 |
0 |
|
|
51108 |
12013732 |
2 |
OH16C21 |
AB16C21 |
82.5 |
0.66 |
-8.51 |
-0.57 |
0 |
|
|
51109 |
12013733 |
2 |
OH16C21 |
AB16C21 |
86.56 |
0.96 |
-8.35 |
-0.58 |
0 |
|
|
51110 |
12013734 |
2 |
OH13C17 |
AB13C17 |
66.06 |
2.02 |
-8.55 |
-0.59 |
0 |
|
|
51111 |
12013735 |
1 |
Cl2O4C15H16 |
A2B4C15D16 |
-147.67 |
3.85 |
-9.69 |
-0.28 |
0 |
|
|
51112 |
12013736 |
2 |
H11C16 |
A11B16 |
119.12 |
0.14 |
-8.36 |
-0.61 |
0 |
|
|
51113 |
12013737 |
2 |
H9C13 |
A9B13 |
94.97 |
0.2 |
-8.36 |
-0.6 |
0 |
|
|
51114 |
12013738 |
2 |
OH7C13 |
AB7C13 |
55.41 |
0.81 |
-9.1 |
-1.75 |
0 |
|
|
51115 |
12013739 |
1 |
NOH21C28 |
ABC21D28 |
83.44 |
2.91 |
-8.15 |
-0.37 |
0 |
|
|
51116 |
12013740 |
1 |
NOH21C28 |
ABC21D28 |
85.03 |
2.34 |
-7.84 |
-0.49 |
0 |
|
|
51117 |
12013741 |
1 |
NO6C13H21 |
AB6C13D21 |
-250.04 |
2.86 |
-10.18 |
-0.24 |
0 |
|
|
51118 |
12013742 |
1 |
NO6C13H21 |
AB6C13D21 |
-254.44 |
1.59 |
-10.08 |
-0.26 |
0 |
|
|
51119 |
12013743 |
1 |
NO6C13H21 |
AB6C13D21 |
-252.27 |
4.35 |
-10.13 |
-0.1 |
0 |
|
|
51120 |
12013744 |
1 |
NO6C12H19 |
AB6C12D19 |
-244.77 |
3.57 |
-10.32 |
0.0 |
0 |
|
|
51121 |
12013745 |
1 |
NO6C12H19 |
AB6C12D19 |
-242.69 |
3.51 |
-10.4 |
-0.19 |
0 |
|
|
51122 |
12013746 |
1 |
NO6C12H19 |
AB6C12D19 |
-245.45 |
4.73 |
-10.1 |
-0.25 |
0 |
|
|
51123 |
12013747 |
1 |
NO6C12H19 |
AB6C12D19 |
-244.8 |
2.3 |
-10.11 |
-0.32 |
0 |
|
|
51124 |
12013748 |
2 |
NOH14C16 |
ABC14D16 |
68.46 |
1.27 |
-8.13 |
-0.36 |
0 |
|
|
51125 |
12013749 |
1 |
N3O4H35C40 |
A3B4C35D40 |
54.59 |
7.22 |
-8.38 |
-0.24 |
0 |
|
|
51126 |
12013750 |
1 |
ClN2O2H27C32 |
AB2C2D27E32 |
56.23 |
3.57 |
-8.4 |
-0.79 |
0 |
|
|
51127 |
12013751 |
1 |
NO3H23C26 |
AB3C23D26 |
14.47 |
3.11 |
-8.75 |
-0.13 |
0 |
|
|
51128 |
12013752 |
1 |
ClNO2H20C25 |
ABC2D20E25 |
45.94 |
4.81 |
-9.12 |
-0.62 |
0 |
|
|
51129 |
12013753 |
1 |
ClNO3H22C26 |
ABC3D22E26 |
3.91 |
5.32 |
-9.0 |
-0.63 |
0 |
|
|
51130 |
12013754 |
1 |
ClO2N4H37C45 |
AB2C4D37E45 |
144.72 |
6.21 |
-8.38 |
-0.64 |
0 |