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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
84551 |
49867767 |
1 |
O3C27H40 |
A3B27C40 |
-118.44 |
2.11 |
-8.7 |
0.19 |
0 |
|
|
84552 |
49867799 |
1 |
P2N3C20O20H31 |
A2B3C20D20E31 |
-1007.47 |
7.84 |
-10.35 |
-0.87 |
0 |
|
|
84553 |
49867823 |
1 |
Cl2O2N5H19C26 |
A2B2C5D19E26 |
65.98 |
6.67 |
-9.4 |
-1.6 |
0 |
|
|
84554 |
49867870 |
1 |
O2N6C11H16 |
A2B6C11D16 |
-29.05 |
12.44 |
-8.65 |
-0.19 |
0 |
|
|
84555 |
49867873 |
1 |
NH5C6O6 |
AB5C6D6 |
-138.38 |
2.58 |
-10.66 |
-2.13 |
0 |
|
|
84556 |
49867878 |
1 |
P2N5O15C17H25 |
A2B5C15D17E25 |
-733.54 |
4.8 |
-8.95 |
-0.47 |
0 |
|
|
84557 |
49867882 |
1 |
PN5O11C21H30 |
AB5C11D21E30 |
-547.22 |
5.49 |
-9.73 |
-0.42 |
0 |
|
|
84558 |
49867894 |
1 |
PN3O7C12H18 |
AB3C7D12E18 |
-338.58 |
3.71 |
-8.72 |
-1.11 |
0 |
|
|
84559 |
49867895 |
1 |
PN5O5C8H12 |
AB5C5D8E12 |
-218.74 |
1.79 |
-9.17 |
-0.61 |
0 |
|
|
84560 |
49867901 |
1 |
N2O6C9H14 |
A2B6C9D14 |
-257.87 |
2.71 |
-9.5 |
0.16 |
0 |
|
|
84561 |
49867909 |
1 |
PSN2O7C25H47 |
ABC2D7E25F47 |
-421.05 |
4.76 |
-9.61 |
-0.18 |
5 |
|
|
84562 |
49867913 |
1 |
ZnO3H9 |
AB3C9 |
-3.66 |
1.66 |
0.0 |
0.0 |
0 |
|
|
84563 |
49867941 |
1 |
O5C7H10 |
A5B7C10 |
-214.92 |
2.68 |
-10.79 |
-0.75 |
0 |
|
|
84565 |
49867944 |
1 |
NNa2S2O7C11H13 |
AB2C2D7E11F13 |
-373.6 |
6.64 |
-9.7 |
-0.7 |
0 |
|
|
84566 |
49867948 |
1 |
ClN2O2H17C21 |
AB2C2D17E21 |
-26.95 |
6.78 |
-8.76 |
-0.86 |
0 |
|
|
84567 |
49867949 |
1 |
O2N3H15C19 |
A2B3C15D19 |
2.1 |
5.51 |
-8.71 |
-1.05 |
0 |
|
|
84568 |
49867950 |
1 |
O2N3C23H23 |
A2B3C23D23 |
-19.25 |
10.17 |
-8.45 |
-0.39 |
0 |
|
|
84569 |
49867951 |
1 |
NOH15C17 |
ABC15D17 |
13.3 |
4.2 |
-8.7 |
-0.5 |
0 |
|
|
84570 |
49867953 |
1 |
NO3C12H13 |
AB3C12D13 |
-94.66 |
2.91 |
-8.51 |
-0.42 |
-1 |
|
|
84571 |
49867983 |
1 |
CoO2N7C23H40 |
AB2C7D23E40 |
-52.84 |
25.37 |
-10.23 |
-3.43 |
2 |
|
|
84572 |
49867987 |
1 |
NiPN2O11C12H27 |
ABC2D11E12F27 |
-375.04 |
4.1 |
-7.0 |
-1.47 |
0 |
|
|
84574 |
49867999 |
1 |
CuF2O4C10H18 |
AB2C4D10E18 |
-165.77 |
2.66 |
0.0 |
0.0 |
0 |
|
|
84577 |
49868049 |
1 |
SHg2C6H15 |
AB2C6D15 |
38.95 |
0.63 |
0.0 |
0.0 |
2 |
|
|
84578 |
49868105 |
1 |
PH2K3 |
AB2C3 |
144.01 |
7.33 |
-2.38 |
-1.26 |
0 |
|
|
84579 |
49868127 |
1 |
N3O4C23H27 |
A3B4C23D27 |
-97.81 |
5.2 |
-8.64 |
-0.6 |
0 |
|
|
84580 |
49868131 |
1 |
N3O4C15H19 |
A3B4C15D19 |
-135.54 |
2.32 |
-9.32 |
0.06 |
0 |
|
|
84581 |
49868133 |
1 |
SC2Hg2H7 |
AB2C2D7 |
32.17 |
4.9 |
0.0 |
0.0 |
0 |
|
|
84582 |
49868134 |
1 |
SnS2O4C15H30 |
AB2C4D15E30 |
-174.51 |
2.25 |
-7.89 |
-0.7 |
1 |
|
|
84584 |
49868137 |
1 |
HgNO6C12H16 |
ABC6D12E16 |
-218.72 |
5.45 |
0.0 |
0.0 |
0 |
|
|
84585 |
49868141 |
1 |
HgNa2O6C12H13 |
AB2C6D12E13 |
-332.9 |
14.66 |
0.0 |
0.0 |
0 |
|
|
84586 |
49868143 |
1 |
ClNO9C27H44 |
ABC9D27E44 |
-498.04 |
3.3 |
-9.84 |
1.25 |
0 |
|
|
84587 |
49868158 |
2 |
N2O2H13C14 |
A2B2C13D14 |
-80.52 |
7.74 |
-8.1 |
-0.87 |
0 |
|
|
84588 |
49868163 |
1 |
O2C21H28 |
A2B21C28 |
-63.75 |
3.27 |
-9.11 |
0.72 |
0 |
|
|
84589 |
49868193 |
1 |
TiN2O6C14H38 |
AB2C6D14E38 |
-397.7 |
6.1 |
-7.74 |
-1.63 |
0 |
|
|
84590 |
49868217 |
1 |
CuO4C18H36 |
AB4C18D36 |
-205.5 |
4.98 |
0.0 |
0.0 |
0 |
|
|
84593 |
49868258 |
4 |
LiSiC3H9 |
ABC3D9 |
22.79 |
14.06 |
-5.19 |
0.53 |
0 |
|
|
84594 |
49868342 |
1 |
BrCoO8N9C13H19 |
ABC8D9E13F19 |
-12.39 |
4.19 |
-9.0 |
-5.54 |
0 |
|
|
84595 |
49868367 |
1 |
Cl7C10H11 |
A7B10C11 |
-72.55 |
2.34 |
-10.91 |
-0.32 |
0 |
|
|
84596 |
49868375 |
1 |
ClNO35C59H98 |
ABC35D59E98 |
-1563.1 |
31.21 |
-6.85 |
-1.13 |
0 |
|
|
84598 |
49868407 |
2 |
OC5H9 |
AB5C9 |
-113.77 |
3.88 |
-10.1 |
2.44 |
0 |
|
|
84599 |
49868409 |
1 |
O11C21H30 |
A11B21C30 |
-434.94 |
1.83 |
-10.13 |
-0.81 |
0 |
|
|
84600 |
49868410 |
1 |
O7C33H54 |
A7B33C54 |
-335.84 |
1.51 |
-10.15 |
-0.83 |
-2 |
|
|
84601 |
49868416 |
1 |
PtK2H4N4O10 |
AB2C4D4E10 |
-297.52 |
6.01 |
-8.66 |
-0.68 |
0 |
|
|
84602 |
49868419 |
1 |
ON2C15H26 |
AB2C15D26 |
-58.77 |
1.43 |
-8.31 |
2.47 |
0 |
|
|
84603 |
49868438 |
1 |
MnN3O3C8H11 |
AB3C3D8E11 |
-33.54 |
3.97 |
0.0 |
0.0 |
0 |
|
|
84606 |
49868463 |
1 |
O3C10H12 |
A3B10C12 |
-98.89 |
4.63 |
-9.48 |
-0.89 |
0 |
|
|
84609 |
49868516 |
1 |
O7C19H26 |
A7B19C26 |
-280.02 |
2.78 |
-9.63 |
0.43 |
-1 |
|
|
84610 |
49868587 |
1 |
CuO6N7C10H14 |
AB6C7D10E14 |
10.61 |
12.75 |
-9.26 |
-1.93 |
0 |
|
|
84613 |
49868599 |
1 |
SSnC4O4H12 |
ABC4D4E12 |
-151.15 |
3.41 |
-8.19 |
-0.94 |
0 |
|
|
84617 |
49868636 |
1 |
SO2N3H11C13 |
AB2C3D11E13 |
19.49 |
1.74 |
-8.53 |
-0.8 |
0 |
|
|
84618 |
49868641 |
1 |
SO2F3N4H17C19 |
AB2C3D4E17F19 |
-179.68 |
4.24 |
-8.49 |
-1.14 |
0 |
|
|
84619 |
49868668 |
2 |
FON2H12C13 |
ABC2D12E13 |
-84.65 |
5.77 |
-8.46 |
-0.67 |
0 |
|
|
84620 |
49868684 |
1 |
NSiO3C22H39 |
ABC3D22E39 |
-207.08 |
1.93 |
-8.82 |
0.26 |
0 |
|
|
84621 |
49868685 |
1 |
NO2C7H13 |
AB2C7D13 |
-106.2 |
4.18 |
-9.42 |
0.44 |
0 |
|
|
84622 |
49868698 |
1 |
SO3F4N4H20C21 |
AB3C4D4E20F21 |
-242.34 |
4.67 |
-9.95 |
-1.37 |
0 |
|
|
84623 |
49868703 |
1 |
FON3C17H20 |
ABC3D17E20 |
-39.1 |
1.21 |
-8.87 |
-0.46 |
0 |
|
|
84624 |
49868713 |
1 |
O5N7C29H33 |
A5B7C29D33 |
-111.02 |
1.6 |
-9.39 |
-1.77 |
0 |
|
|
84625 |
49868789 |
1 |
ON6C18H18 |
AB6C18D18 |
84.9 |
1.74 |
-8.48 |
-1.21 |
0 |
|
|
84626 |
49868790 |
1 |
OSN4C19H20 |
ABC4D19E20 |
54.01 |
2.4 |
-8.34 |
-0.68 |
0 |
|
|
84627 |
49868798 |
1 |
OF3N3H24C27 |
AB3C3D24E27 |
-122.58 |
7.73 |
-8.31 |
-0.99 |
0 |
|
|
84628 |
49868814 |
1 |
OF2N8H16C19 |
AB2C8D16E19 |
20.39 |
4.87 |
-9.59 |
-1.66 |
0 |
|
|
84629 |
49868915 |
1 |
FO2N4C27H27 |
AB2C4D27E27 |
-43.26 |
2.65 |
-8.08 |
-0.68 |
0 |
|
|
84630 |
49868923 |
1 |
O2N5C23H23 |
A2B5C23D23 |
41.91 |
0.41 |
-8.41 |
-0.48 |
0 |
|
|
84631 |
49868960 |
1 |
SF2O2N4C14H16 |
AB2C2D4E14F16 |
-106.79 |
5.15 |
-10.31 |
-1.44 |
0 |
|
|
84632 |
49868962 |
1 |
ClON3C16H18 |
ABC3D16E18 |
1.13 |
3.14 |
-8.8 |
-0.66 |
0 |
|
|
84633 |
49868984 |
1 |
NO4C19H21 |
AB4C19D21 |
-118.0 |
4.51 |
-8.86 |
-0.05 |
0 |
|
|
84634 |
49868985 |
1 |
NO4C20H23 |
AB4C20D23 |
-67.6 |
3.21 |
-8.85 |
-0.19 |
0 |
|
|
84635 |
49868986 |
1 |
NO4C22H27 |
AB4C22D27 |
-79.17 |
3.86 |
-8.71 |
-0.13 |
0 |
|
|
84637 |
49868992 |
1 |
NCl2O3C35H52 |
AB2C3D35E52 |
-143.58 |
4.97 |
0.0 |
0.0 |
1 |
|
|
84638 |
49868994 |
1 |
NCl2O3C35H52 |
AB2C3D35E52 |
-164.13 |
4.21 |
0.0 |
0.0 |
0 |
|
|
84639 |
49868995 |
1 |
BrNF2O3C35H52 |
ABC2D3E35F52 |
-259.4 |
3.14 |
-8.59 |
-0.58 |
0 |
|
|
84640 |
49869003 |
1 |
OSN7H11C15 |
ABC7D11E15 |
175.38 |
3.03 |
-8.51 |
-1.45 |
0 |
|
|
84641 |
49869012 |
1 |
SO6N8C42H50 |
AB6C8D42E50 |
-185.28 |
4.65 |
-8.5 |
-0.86 |
0 |
|
|
84642 |
49869013 |
2 |
O3N4C19H23 |
A3B4C19D23 |
-114.31 |
9.47 |
-8.88 |
-0.94 |
0 |
|
|
84644 |
49869033 |
1 |
O2N5C24H25 |
A2B5C24D25 |
69.66 |
0.93 |
-8.8 |
-1.19 |
0 |
|
|
84645 |
49869034 |
1 |
N4O13C40H76 |
A4B13C40D76 |
-642.76 |
4.79 |
-8.76 |
0.02 |
0 |
|
|
84646 |
49869036 |
1 |
ON3C18H19 |
AB3C18D19 |
43.08 |
3.34 |
-8.7 |
-0.16 |
0 |
|
|
84647 |
49869069 |
1 |
N3O3C28H33 |
A3B3C28D33 |
-59.81 |
3.61 |
-8.29 |
0.13 |
0 |
|
|
84648 |
49869077 |
1 |
ClF2O2N9H18C20 |
AB2C2D9E18F20 |
-22.12 |
2.59 |
-8.86 |
-1.45 |
0 |
|
|
84649 |
49869114 |
1 |
ClO3N5H10C13 |
AB3C5D10E13 |
77.97 |
3.06 |
-9.09 |
-1.56 |
0 |
|
|
84650 |
49869117 |
1 |
NO4C25H33 |
AB4C25D33 |
-92.09 |
3.95 |
-8.72 |
-0.15 |
0 |
|
|
84651 |
49869118 |
1 |
NO4C25H33 |
AB4C25D33 |
-91.1 |
3.9 |
-8.71 |
-0.14 |
1 |
|
|
84652 |
49869122 |
1 |
NF2O3C36H54 |
AB2C3D36E54 |
-241.03 |
3.44 |
0.0 |
0.0 |
0 |
|
|
84653 |
49869123 |
1 |
BrNF2O3C36H54 |
ABC2D3E36F54 |
-257.22 |
6.15 |
-7.48 |
-1.02 |
1 |
|
|
84654 |
49869124 |
1 |
NF2O3C36H54 |
AB2C3D36E54 |
-244.59 |
2.76 |
0.0 |
0.0 |
0 |
|
|
84655 |
49869140 |
1 |
O2S2N6H10C13 |
A2B2C6D10E13 |
85.54 |
4.73 |
-8.92 |
-1.72 |
0 |
|
|
84656 |
49869153 |
1 |
ON2C18H24 |
AB2C18D24 |
-40.73 |
4.93 |
-8.7 |
0.05 |
0 |
|
|
84657 |
49869155 |
1 |
ON3C15H21 |
AB3C15D21 |
-22.81 |
3.69 |
-8.67 |
0.43 |
0 |
|
|
84658 |
49869169 |
1 |
N4O13C54H104 |
A4B13C54D104 |
-713.37 |
4.23 |
-8.5 |
0.34 |
0 |
|
|
84659 |
49869176 |
1 |
FON4H21C23 |
ABC4D21E23 |
38.3 |
2.86 |
-8.9 |
-0.29 |
0 |
|
|
84660 |
49869185 |
1 |
ClO3N4H9C13 |
AB3C4D9E13 |
12.98 |
8.38 |
-9.53 |
-1.38 |
0 |
|
|
84661 |
49869196 |
1 |
ClFON5H19C20 |
ABCD5E19F20 |
7.43 |
4.24 |
-8.9 |
-0.82 |
0 |
|
|
84662 |
49869209 |
1 |
OF3N4H21C24 |
AB3C4D21E24 |
-114.23 |
3.69 |
-8.3 |
-1.32 |
0 |
|
|
84663 |
49869211 |
1 |
OF3N5H20C23 |
AB3C5D20E23 |
-96.48 |
7.55 |
-8.44 |
-1.66 |
0 |
|
|
84664 |
49869216 |
1 |
F2O2N8H18C19 |
A2B2C8D18E19 |
-11.74 |
4.58 |
-8.72 |
-1.49 |
0 |
|
|
84665 |
49869225 |
1 |
FOCl2N5C25H28 |
ABC2D5E25F28 |
-35.18 |
7.52 |
-8.57 |
-0.84 |
0 |
|
|
84666 |
49869226 |
1 |
SO2N4C22H26 |
AB2C4D22E26 |
-3.87 |
7.15 |
-9.75 |
-0.51 |
0 |
|
|
84667 |
49869227 |
1 |
SO3N5C22H27 |
AB3C5D22E27 |
-35.51 |
7.71 |
-9.32 |
-0.49 |
0 |
|
|
84668 |
49869232 |
1 |
ClON3C23H24 |
ABC3D23E24 |
22.01 |
2.4 |
-8.8 |
-0.63 |
0 |
|
|
84669 |
49869239 |
1 |
O2F3N8H17C21 |
A2B3C8D17E21 |
-63.48 |
7.59 |
-9.46 |
-1.9 |
0 |