List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
82091 |
49855586 |
2 |
O5H18C21 |
A5B18C21 |
-280.72 |
4.68 |
-8.93 |
-0.9 |
0 |
|
|
82092 |
49855587 |
1 |
O10H38C43 |
A10B38C43 |
-294.01 |
6.66 |
-8.94 |
-0.72 |
0 |
|
|
82093 |
49855588 |
1 |
O2N5C22H23 |
A2B5C22D23 |
56.02 |
6.47 |
-9.01 |
-0.84 |
0 |
|
|
82094 |
49855590 |
1 |
N2O2S2C9H12 |
A2B2C2D9E12 |
-17.14 |
4.23 |
-9.3 |
-1.08 |
0 |
|
|
82095 |
49855591 |
1 |
SN4O4H18C20 |
AB4C4D18E20 |
-48.56 |
4.27 |
-9.51 |
-1.3 |
0 |
|
|
82096 |
49855593 |
1 |
SO4N5H19C20 |
AB4C5D19E20 |
-13.12 |
5.41 |
-9.37 |
-1.3 |
0 |
|
|
82097 |
49855594 |
1 |
S2O4N5C14H15 |
A2B4C5D14E15 |
-23.13 |
7.77 |
-9.23 |
-1.27 |
0 |
|
|
82098 |
49855598 |
1 |
N2O3C20H26 |
A2B3C20D26 |
-98.82 |
4.49 |
-8.42 |
-0.3 |
0 |
|
|
82099 |
49855599 |
1 |
N2O3C20H26 |
A2B3C20D26 |
-103.88 |
2.53 |
-8.73 |
-0.31 |
0 |
|
|
82100 |
49855600 |
1 |
N2O3C22H28 |
A2B3C22D28 |
-79.72 |
4.62 |
-8.67 |
-0.32 |
0 |
|
|
82101 |
49855601 |
1 |
N2O3H12C15 |
A2B3C12D15 |
-45.56 |
3.65 |
-9.33 |
-1.43 |
0 |
|
|
82102 |
49855606 |
1 |
N2O2H10C13 |
A2B2C10D13 |
0.24 |
6.36 |
-9.1 |
-1.17 |
0 |
|
|
82103 |
49855607 |
2 |
NOC9H9 |
ABC9D9 |
-5.01 |
4.45 |
-9.14 |
-0.7 |
0 |
|
|
82104 |
49855608 |
1 |
ClO2N5C28H28 |
AB2C5D28E28 |
4.87 |
7.56 |
-8.41 |
-1.24 |
0 |
|
|
82105 |
49855609 |
1 |
ClO2N5H26C27 |
AB2C5D26E27 |
21.98 |
7.61 |
-8.51 |
-1.22 |
0 |
|
|
82106 |
49855611 |
1 |
ClO2N5H24C27 |
AB2C5D24E27 |
58.89 |
6.47 |
-8.54 |
-1.3 |
0 |
|
|
82107 |
49855616 |
1 |
PO4N5C14H18 |
AB4C5D14E18 |
-126.52 |
3.51 |
-8.84 |
-0.26 |
0 |
|
|
82108 |
49855617 |
1 |
PN5O6C18H28 |
AB5C6D18E28 |
-252.28 |
3.81 |
-9.17 |
-0.62 |
0 |
|
|
82109 |
49855618 |
1 |
SN5O9C39H47 |
AB5C9D39E47 |
-291.51 |
11.88 |
-9.29 |
-1.18 |
0 |
|
|
82110 |
49855619 |
1 |
SN5O9C39H47 |
AB5C9D39E47 |
-298.94 |
11.36 |
-9.2 |
-1.23 |
0 |
|
|
82111 |
49855620 |
1 |
SF2N5O9C38H43 |
AB2C5D9E38F43 |
-385.32 |
10.71 |
-9.29 |
-0.94 |
0 |
|
|
82115 |
49855636 |
1 |
N3O3H17C19 |
A3B3C17D19 |
-25.85 |
2.52 |
-8.91 |
-0.79 |
0 |
|
|
82116 |
49855637 |
1 |
ClN2O3C21H21 |
AB2C3D21E21 |
-53.72 |
4.92 |
-9.47 |
-0.72 |
0 |
|
|
82117 |
49855638 |
1 |
N3O4C17H19 |
A3B4C17D19 |
-72.18 |
1.94 |
-9.68 |
-0.76 |
0 |
|
|
82118 |
49855639 |
1 |
N2O3C15H18 |
A2B3C15D18 |
-64.53 |
4.21 |
-9.66 |
-0.73 |
0 |
|
|
82119 |
49855641 |
1 |
F3N4O4H31C35 |
A3B4C4D31E35 |
-211.61 |
9.96 |
-9.26 |
-1.54 |
0 |
|
|
82120 |
49855643 |
1 |
PSF3O10C14H24 |
ABC3D10E14F24 |
-671.06 |
4.32 |
-10.8 |
-1.47 |
0 |
|
|
82121 |
49855646 |
1 |
O6N7H49C53 |
A6B7C49D53 |
-88.02 |
3.06 |
-8.44 |
-0.6 |
0 |
|
|
82122 |
49855647 |
1 |
ClNSO6H16C24 |
ABCD6E16F24 |
-144.47 |
6.07 |
-9.16 |
-1.26 |
0 |
|
|
82123 |
49855648 |
1 |
O4N5C24H33 |
A4B5C24D33 |
-126.4 |
3.56 |
-8.75 |
-0.8 |
0 |
|
|
82124 |
49855649 |
1 |
O4N5C24H33 |
A4B5C24D33 |
-136.35 |
6.9 |
-8.8 |
-0.82 |
0 |
|
|
82125 |
49855652 |
1 |
O3N7C27H35 |
A3B7C27D35 |
-59.01 |
6.57 |
-8.84 |
-0.92 |
0 |
|
|
82129 |
49855657 |
1 |
NO2C21H25 |
AB2C21D25 |
-26.48 |
2.76 |
-9.11 |
0.27 |
0 |
|
|
82130 |
49855659 |
1 |
SN3O3C23H25 |
AB3C3D23E25 |
-50.85 |
3.79 |
-8.82 |
-0.98 |
0 |
|
|
82131 |
49855662 |
1 |
SN2O3C24H24 |
AB2C3D24E24 |
-44.2 |
4.71 |
-8.87 |
-0.45 |
0 |
|
|
82132 |
49855663 |
1 |
SN3O8C34H39 |
AB3C8D34E39 |
-296.73 |
5.73 |
-8.83 |
-0.64 |
0 |
|
|
82133 |
49855664 |
1 |
ClFPO3N4H29C31 |
ABCD3E4F29G31 |
-80.6 |
7.52 |
-8.78 |
-1.27 |
0 |
|
|
82134 |
49855668 |
1 |
ClFPN4O5H29C30 |
ABCD4E5F29G30 |
-182.43 |
7.33 |
-8.81 |
-1.21 |
0 |
|
|
82135 |
49855669 |
2 |
NOF2C14H14 |
ABC2D14E14 |
-168.86 |
3.11 |
-9.2 |
-1.15 |
0 |
|
|
82136 |
49855670 |
1 |
O6C13H16 |
A6B13C16 |
-236.77 |
1.05 |
-8.65 |
0.02 |
0 |
|
|
82137 |
49855671 |
1 |
O6C17H24 |
A6B17C24 |
-266.12 |
3.22 |
-8.56 |
0.01 |
0 |
|
|
82138 |
49855672 |
1 |
O6C17H24 |
A6B17C24 |
-262.22 |
4.13 |
-8.69 |
-0.04 |
0 |
|
|
82139 |
49855673 |
1 |
O6C19H28 |
A6B19C28 |
-270.13 |
3.53 |
-8.58 |
0.06 |
0 |
|
|
82140 |
49855675 |
1 |
O6C19H28 |
A6B19C28 |
-273.03 |
3.32 |
-8.63 |
0.02 |
0 |
|
|
82141 |
49855676 |
1 |
OSN5C16H17 |
ABC5D16E17 |
43.92 |
4.38 |
-9.22 |
-1.4 |
0 |
|
|
82142 |
49855677 |
1 |
OSN5C17H19 |
ABC5D17E19 |
34.33 |
4.06 |
-9.18 |
-1.38 |
0 |
|
|
82143 |
49855678 |
1 |
OSN5C17H19 |
ABC5D17E19 |
40.47 |
2.94 |
-9.19 |
-1.42 |
0 |
|
|
82144 |
49855679 |
1 |
OSN5C17H19 |
ABC5D17E19 |
43.58 |
5.51 |
-9.1 |
-1.39 |
0 |
|
|
82145 |
49855683 |
1 |
ON5C23H23 |
AB5C23D23 |
85.88 |
7.53 |
-9.06 |
-0.59 |
0 |
|
|
82146 |
49855686 |
1 |
SN5H17C19 |
AB5C17D19 |
135.86 |
5.61 |
-8.92 |
-0.7 |
0 |
|
|
82147 |
49855688 |
1 |
ON5H19C23 |
AB5C19D23 |
121.03 |
8.14 |
-8.81 |
-0.97 |
0 |
|
|
82148 |
49855689 |
1 |
ON4H16C18 |
AB4C16D18 |
86.33 |
6.42 |
-8.82 |
-0.44 |
0 |
|
|
82149 |
49855690 |
1 |
SN3O6H25C26 |
AB3C6D25E26 |
-142.22 |
5.05 |
-9.35 |
-1.64 |
0 |
|
|
82150 |
49855691 |
1 |
SN3O4H27C30 |
AB3C4D27E30 |
-26.02 |
9.05 |
-8.87 |
-1.25 |
0 |
|
|
82151 |
49855692 |
1 |
SN3O6H17C22 |
AB3C6D17E22 |
-120.02 |
6.63 |
-9.43 |
-1.51 |
0 |
|
|
82152 |
49855694 |
1 |
SN4O5H22C24 |
AB4C5D22E24 |
-80.66 |
2.65 |
-9.37 |
-1.44 |
0 |
|
|
82153 |
49855696 |
1 |
ClON5C26H28 |
ABC5D26E28 |
34.64 |
1.81 |
-8.62 |
-0.88 |
0 |
|
|
82154 |
49855697 |
1 |
OSF4N4C26H26 |
ABC4D4E26F26 |
-181.73 |
8.28 |
-8.9 |
-1.21 |
0 |
|
|
82155 |
49855698 |
1 |
OF3N6C25H27 |
AB3C6D25E27 |
-99.03 |
8.9 |
-8.8 |
-0.99 |
0 |
|
|
82156 |
49855699 |
1 |
OF4N5H25C26 |
AB4C5D25E26 |
-158.2 |
6.51 |
-9.01 |
-1.33 |
0 |
|
|
82157 |
49855700 |
1 |
SN3O4C26H35 |
AB3C4D26E35 |
-115.74 |
3.22 |
-8.61 |
-0.61 |
0 |
|
|
82158 |
49855701 |
1 |
N4O4C25H38 |
A4B4C25D38 |
-147.76 |
3.8 |
-8.69 |
-0.65 |
0 |
|
|
82159 |
49855702 |
1 |
N2O4C21H32 |
A2B4C21D32 |
-144.65 |
5.31 |
-8.93 |
-0.32 |
0 |
|
|
82160 |
49855705 |
1 |
N2O3C21H32 |
A2B3C21D32 |
-118.7 |
5.38 |
-8.72 |
-0.18 |
0 |
|
|
82161 |
49855708 |
1 |
F2O3N8H20C24 |
A2B3C8D20E24 |
-47.62 |
8.7 |
-8.57 |
-1.67 |
0 |
|
|
82162 |
49855709 |
1 |
O2N7C20H27 |
A2B7C20D27 |
3.95 |
6.72 |
-7.98 |
-1.42 |
0 |
|
|
82163 |
49855710 |
1 |
O2N7C15H17 |
A2B7C15D17 |
36.93 |
10.51 |
-8.34 |
-1.43 |
0 |
|
|
82164 |
49855711 |
1 |
O3N8H18C23 |
A3B8C18D23 |
107.81 |
11.15 |
-8.69 |
-1.74 |
0 |
|
|
82165 |
49855712 |
1 |
F3N3O4H26C29 |
A3B3C4D26E29 |
-227.62 |
3.93 |
-9.36 |
-1.33 |
0 |
|
|
82166 |
49855713 |
1 |
SO3N4H22C23 |
AB3C4D22E23 |
-11.9 |
4.5 |
-9.26 |
-1.27 |
0 |
|
|
82167 |
49855715 |
1 |
N3O4H27C28 |
A3B4C27D28 |
-38.68 |
4.27 |
-8.99 |
-1.21 |
0 |
|
|
82168 |
49855716 |
1 |
SN3O5C27H27 |
AB3C5D27E27 |
-88.74 |
8.65 |
-9.58 |
-1.42 |
0 |
|
|
82169 |
49855717 |
1 |
SF2O3N5H29C33 |
AB2C3D5E29F33 |
-99.72 |
5.65 |
-8.93 |
-0.96 |
0 |
|
|
82170 |
49855718 |
1 |
SO4N5H31C34 |
AB4C5D31E34 |
0.0 |
6.67 |
-8.92 |
-0.99 |
0 |
|
|
82171 |
49855719 |
1 |
S2N3O3H27C34 |
A2B3C3D27E34 |
28.18 |
6.48 |
-8.85 |
-0.99 |
0 |