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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
82436 |
49856028 |
2 |
O3C24H46 |
A3B24C46 |
-466.2 |
2.26 |
-10.34 |
0.57 |
0 |
|
|
82437 |
49856029 |
2 |
O3C22H42 |
A3B22C42 |
-448.79 |
4.51 |
-10.62 |
0.49 |
0 |
|
|
82438 |
49856030 |
2 |
O3C24H44 |
A3B24C44 |
-418.68 |
3.87 |
-9.55 |
0.6 |
0 |
|
|
82439 |
49856031 |
6 |
OC8H14 |
AB8C14 |
-320.56 |
1.17 |
-7.15 |
0.31 |
0 |
|
|
82440 |
49856032 |
1 |
O6N9H45C47 |
A6B9C45D47 |
-69.09 |
8.01 |
-8.58 |
-0.6 |
0 |
|
|
82441 |
49856034 |
1 |
O5N8C40H40 |
A5B8C40D40 |
-60.43 |
8.91 |
-8.72 |
-0.7 |
0 |
|
|
82442 |
49856035 |
1 |
SN2O4H18C20 |
AB2C4D18E20 |
-99.02 |
6.9 |
-8.84 |
-0.86 |
0 |
|
|
82443 |
49856037 |
1 |
O4N5C22H27 |
A4B5C22D27 |
-80.29 |
2.73 |
-8.91 |
-1.16 |
0 |
|
|
82444 |
49856038 |
1 |
O4N5C22H27 |
A4B5C22D27 |
-79.7 |
4.84 |
-8.92 |
-1.11 |
0 |
|
|
82445 |
49856040 |
3 |
ON2C8H10 |
AB2C8D10 |
-57.9 |
8.32 |
-8.83 |
-0.9 |
0 |
|
|
82451 |
49856046 |
1 |
ClNNaOC12H17 |
ABCDE12F17 |
-63.64 |
7.21 |
-8.1 |
0.71 |
0 |
|
|
82452 |
49856048 |
1 |
O15C25H26 |
A15B25C26 |
-573.55 |
6.3 |
-9.28 |
-1.39 |
0 |
|
|
82453 |
49856049 |
1 |
O15C25H26 |
A15B25C26 |
-566.52 |
7.47 |
-9.23 |
-1.32 |
0 |
|
|
82454 |
49856050 |
1 |
O4C27H44 |
A4B27C44 |
-220.44 |
2.66 |
-9.44 |
0.56 |
0 |
|
|
82455 |
49856051 |
1 |
PO3N5C32H34 |
AB3C5D32E34 |
-35.62 |
8.82 |
-8.54 |
-0.97 |
0 |
|
|
82456 |
49856053 |
1 |
BrFPO3N4H29C31 |
ABCD3E4F29G31 |
-68.53 |
5.59 |
-8.64 |
-1.12 |
0 |
|
|
82457 |
49856054 |
1 |
ClPO4N5H29C30 |
ABC4D5E29F30 |
-28.15 |
5.19 |
-8.6 |
-1.16 |
0 |
|
|
82458 |
49856055 |
1 |
O6C23H32 |
A6B23C32 |
-277.56 |
5.97 |
-8.54 |
0.19 |
0 |
|
|
82459 |
49856058 |
2 |
O3C8H11 |
A3B8C11 |
-259.13 |
6.41 |
-8.64 |
0.03 |
0 |
|
|
82460 |
49856059 |
1 |
O6C17H24 |
A6B17C24 |
-270.42 |
3.14 |
-8.63 |
0.01 |
0 |
|
|
82461 |
49856060 |
3 |
O2C5H6 |
A2B5C6 |
-238.16 |
2.71 |
-9.07 |
-0.47 |
0 |
|
|
82462 |
49856061 |
1 |
O2N4C21H22 |
A2B4C21D22 |
2.62 |
1.78 |
-9.0 |
-0.13 |
0 |
|
|
82463 |
49856062 |
1 |
OSN5C17H19 |
ABC5D17E19 |
42.82 |
4.61 |
-8.84 |
-1.38 |
0 |
|
|
82464 |
49856063 |
1 |
OSN5C19H23 |
ABC5D19E23 |
30.38 |
6.64 |
-9.06 |
-1.28 |
0 |
|
|
82465 |
49856064 |
1 |
OSN5C21H27 |
ABC5D21E27 |
14.78 |
4.67 |
-9.13 |
-1.34 |
0 |
|
|
82466 |
49856065 |
1 |
OSN5C17H19 |
ABC5D17E19 |
48.92 |
4.59 |
-8.85 |
-1.32 |
0 |
|
|
82467 |
49856068 |
1 |
ON5C17H21 |
AB5C17D21 |
-5.4 |
7.08 |
-9.57 |
-1.16 |
0 |
|
|
82468 |
49856070 |
1 |
ON5H21C22 |
AB5C21D22 |
79.51 |
5.4 |
-8.67 |
-0.66 |
0 |
|
|
82469 |
49856071 |
1 |
ClN5H20C22 |
AB5C20D22 |
109.86 |
5.88 |
-9.36 |
-0.65 |
0 |
|
|
82470 |
49856072 |
1 |
ON4C24H24 |
AB4C24D24 |
67.25 |
6.04 |
-8.7 |
-0.38 |
0 |
|
|
82471 |
49856073 |
1 |
N5H23C25 |
A5B23C25 |
161.76 |
2.54 |
-9.07 |
-0.42 |
0 |
|
|
82472 |
49856074 |
1 |
ClO2N3C19H20 |
AB2C3D19E20 |
-13.11 |
3.05 |
-8.89 |
-0.3 |
0 |
|
|
82473 |
49856075 |
2 |
SN2O4H12C15 |
AB2C4D12E15 |
-104.47 |
17.65 |
-9.5 |
-1.74 |
0 |
|
|
82474 |
49856076 |
1 |
S2N3O5C26H27 |
A2B3C5D26E27 |
-106.9 |
7.72 |
-9.31 |
-1.52 |
0 |
|
|
82475 |
49856079 |
1 |
S2F3N3O7H22C30 |
A2B3C3D7E22F30 |
-235.99 |
14.48 |
-9.63 |
-1.84 |
0 |
|
|
82476 |
49856080 |
1 |
OSF3N4C27H29 |
ABC3D4E27F29 |
-148.34 |
3.21 |
-9.04 |
-1.07 |
0 |
|
|
82477 |
49856081 |
1 |
O5C21H22 |
A5B21C22 |
-157.32 |
5.23 |
-8.81 |
-0.86 |
0 |
|
|
82478 |
49856082 |
1 |
NI3O4H14C16 |
AB3C4D14E16 |
-63.44 |
3.06 |
-8.92 |
-1.4 |
0 |
|
|
82479 |
49856083 |
1 |
N3O4C25H33 |
A3B4C25D33 |
-108.71 |
2.98 |
-8.63 |
-0.43 |
0 |
|
|
82480 |
49856084 |
1 |
N3O4C22H33 |
A3B4C22D33 |
-153.15 |
5.89 |
-8.7 |
-0.46 |
0 |
|
|
82481 |
49856085 |
1 |
N3O4C25H37 |
A3B4C25D37 |
-155.34 |
2.21 |
-8.66 |
-0.38 |
0 |
|
|
82482 |
49856086 |
1 |
O3N4C26H36 |
A3B4C26D36 |
-80.93 |
2.75 |
-8.67 |
-0.39 |
0 |
|
|
82483 |
49856087 |
1 |
N3O3C20H29 |
A3B3C20D29 |
-107.48 |
6.9 |
-8.88 |
-0.42 |
0 |
|
|
82484 |
49856088 |
1 |
FN2O2C24H29 |
AB2C2D24E29 |
-85.29 |
4.85 |
-8.65 |
-0.4 |
0 |
|
|
82485 |
49856089 |
1 |
ClO2N7H18C23 |
AB2C7D18E23 |
97.77 |
5.41 |
-8.34 |
-1.3 |
0 |
|
|
82486 |
49856090 |
1 |
ClO3N7C22H24 |
AB3C7D22E24 |
-11.47 |
3.4 |
-8.31 |
-1.23 |
0 |
|
|
82487 |
49856091 |
1 |
ClFO3N8H18C21 |
ABC3D8E18F21 |
-0.46 |
2.28 |
-8.35 |
-1.47 |
0 |
|
|
82488 |
49856092 |
1 |
ClO4N7C23H24 |
AB4C7D23E24 |
-46.77 |
10.42 |
-8.43 |
-1.63 |
0 |
|
|
82489 |
49856093 |
1 |
ClO2N7H10C15 |
AB2C7D10E15 |
66.38 |
8.8 |
-8.85 |
-1.69 |
0 |
|
|
82490 |
49856095 |
1 |
O3N5H27C29 |
A3B5C27D29 |
17.37 |
7.09 |
-9.28 |
-1.42 |
0 |
|
|
82491 |
49856096 |
1 |
O3N5H27C29 |
A3B5C27D29 |
25.83 |
6.25 |
-9.31 |
-1.34 |
0 |
|
|
82492 |
49856097 |
1 |
O3N5H29C30 |
A3B5C29D30 |
17.13 |
5.64 |
-9.13 |
-1.16 |
0 |
|
|
82493 |
49856098 |
1 |
O4N5H25C28 |
A4B5C25D28 |
-13.06 |
7.48 |
-9.37 |
-1.38 |
0 |
|
|
82494 |
49856099 |
1 |
BrN3O3H22C25 |
AB3C3D22E25 |
-16.51 |
4.19 |
-9.35 |
-1.35 |
0 |
|
|
82495 |
49856100 |
1 |
SO3N5H25C32 |
AB3C5D25E32 |
40.33 |
8.39 |
-9.04 |
-1.72 |
0 |
|
|
82496 |
49856103 |
1 |
SN3O3H27C34 |
AB3C3D27E34 |
16.67 |
6.94 |
-8.84 |
-1.01 |
0 |
|
|
82497 |
49856104 |
1 |
SN3O5H25C31 |
AB3C5D25E31 |
-65.86 |
9.38 |
-9.09 |
-1.11 |
0 |
|
|
82498 |
49856105 |
1 |
N11O19C51H83 |
A11B19C51D83 |
-889.39 |
13.5 |
-9.4 |
-0.57 |
0 |
|
|
82499 |
49856106 |
1 |
NO2C11H15 |
AB2C11D15 |
-67.57 |
7.2 |
-8.63 |
-0.75 |
0 |
|
|
82500 |
49856107 |
1 |
CuO4H6C8 |
AB4C6D8 |
-78.5 |
4.44 |
0.0 |
0.0 |
0 |
|
|
82501 |
49856108 |
2 |
N2O3C10H16 |
A2B3C10D16 |
-227.13 |
2.88 |
-9.68 |
-0.02 |
0 |
|
|
82502 |
49856109 |
1 |
O2P2C73H100 |
A2B2C73D100 |
-147.46 |
2.12 |
-8.03 |
0.33 |
0 |
|
|
82503 |
49856110 |
1 |
NO8C43H49 |
AB8C43D49 |
-228.69 |
4.8 |
-8.46 |
-0.53 |
0 |
|
|
82504 |
49856111 |
1 |
NO6C38H41 |
AB6C38D41 |
-144.12 |
2.24 |
-7.76 |
-0.83 |
0 |
|
|
82505 |
49856112 |
1 |
BrNSiO7C43H60 |
ABCD7E43F60 |
-260.68 |
1.96 |
-7.54 |
-0.81 |
0 |
|
|
82506 |
49856113 |
1 |
OC7H8 |
AB7C8 |
24.72 |
4.69 |
-9.7 |
-0.55 |
0 |
|
|
82508 |
49856116 |
2 |
ClNO2C19H19 |
ABC2D19E19 |
-83.76 |
2.85 |
-8.5 |
-0.6 |
0 |
|
|
82509 |
49856117 |
1 |
Cl2N3O3C50H53 |
A2B3C3D50E53 |
-3.36 |
5.65 |
-8.75 |
-0.52 |
0 |
|
|
82510 |
49856118 |
1 |
O4C17H30 |
A4B17C30 |
-230.68 |
3.65 |
-9.9 |
0.6 |
0 |
|
|
82511 |
49856120 |
2 |
OC6H10 |
AB6C10 |
-118.02 |
1.92 |
-9.1 |
0.95 |
0 |
|
|
82512 |
49856121 |
2 |
OC5H9 |
AB5C9 |
-94.7 |
3.9 |
-10.05 |
2.17 |
0 |
|
|
82513 |
49856122 |
2 |
OC5H9 |
AB5C9 |
-109.12 |
1.2 |
-10.02 |
0.9 |
0 |
|
|
82514 |
49856123 |
3 |
OC4H6 |
AB4C6 |
-141.85 |
3.33 |
-9.92 |
0.11 |
0 |
|
|
82515 |
49856124 |
6 |
OC4H6 |
AB4C6 |
-309.84 |
4.38 |
-8.68 |
0.35 |
0 |
|
|
82516 |
49856125 |
1 |
OSi2C14H30 |
AB2C14D30 |
-125.49 |
1.8 |
-9.07 |
0.59 |
0 |
|
|
82517 |
49856126 |
1 |
SO4N5C32H39 |
AB4C5D32E39 |
-73.86 |
7.69 |
-8.99 |
-0.82 |
0 |
|
|
82518 |
49856129 |
1 |
O2N5C23H37 |
A2B5C23D37 |
-68.65 |
5.9 |
-8.31 |
-0.07 |
0 |
|
|
82519 |
49856130 |
1 |
O2N5C20H31 |
A2B5C20D31 |
-59.03 |
7.26 |
-8.21 |
0.04 |
0 |
|
|
82520 |
49856131 |
1 |
O2N5C26H35 |
A2B5C26D35 |
-30.52 |
3.91 |
-8.21 |
0.02 |
0 |
|
|
82521 |
49856132 |
1 |
O4N6C31H32 |
A4B6C31D32 |
-54.49 |
6.78 |
-8.64 |
-0.8 |
0 |
|
|
82522 |
49856133 |
1 |
N5O5C32H33 |
A5B5C32D33 |
-109.98 |
6.73 |
-8.53 |
-0.93 |
0 |
|
|
82523 |
49856135 |
1 |
O5N6C32H34 |
A5B6C32D34 |
-97.44 |
4.92 |
-8.73 |
-0.79 |
0 |
|
|
82524 |
49856136 |
1 |
ClFSO2N3H17C26 |
ABCD2E3F17G26 |
18.28 |
1.71 |
-8.69 |
-1.57 |
0 |
|
|
82525 |
49856137 |
1 |
ClFO2N3H19C28 |
ABC2D3E19F28 |
15.29 |
6.16 |
-8.59 |
-1.09 |
0 |
|
|
82526 |
49856138 |
1 |
ClFO2N3H19C28 |
ABC2D3E19F28 |
14.63 |
2.6 |
-8.76 |
-1.25 |
0 |
|
|
82527 |
49856139 |
1 |
ClFN3O4H27C32 |
ABC3D4E27F32 |
-88.54 |
5.52 |
-8.66 |
-1.38 |
0 |
|
|
82528 |
49856140 |
1 |
ClFSN3O3H27C32 |
ABCD3E3F27G32 |
-53.13 |
3.09 |
-8.67 |
-1.46 |
0 |
|
|
82529 |
49856141 |
1 |
N2O6C25H26 |
A2B6C25D26 |
-151.31 |
6.5 |
-8.29 |
-0.29 |
0 |
|
|
82530 |
49856142 |
1 |
N3O5C25H27 |
A3B5C25D27 |
-108.08 |
5.22 |
-8.27 |
-0.04 |
0 |
|
|
82531 |
49856146 |
1 |
NO4C17H19 |
AB4C17D19 |
-83.3 |
3.78 |
-8.42 |
-0.52 |
0 |
|
|
82532 |
49856147 |
1 |
BFNO2Si2C24H41 |
ABCD2E2F24G41 |
-265.27 |
1.82 |
-8.44 |
0.14 |
0 |
|
|
82533 |
49856148 |
1 |
BNO2Si2C25H44 |
ABC2D2E25F44 |
-224.26 |
2.09 |
-8.36 |
0.59 |
0 |
|
|
82534 |
49856149 |
1 |
BNO2Si2C25H44 |
ABC2D2E25F44 |
-243.68 |
1.7 |
-8.45 |
0.61 |
0 |
|
|
82535 |
49856150 |
1 |
BNO2Si2C24H48 |
ABC2D2E24F48 |
-281.19 |
2.26 |
-8.41 |
1.48 |
0 |
|
|
82536 |
49856151 |
1 |
BClFNO2C18H26 |
ABCDE2F18G26 |
-225.7 |
6.3 |
-8.98 |
0.2 |
0 |
|
|
82537 |
49856152 |
1 |
BFNO2C18H25 |
ABCD2E18F25 |
-185.71 |
4.7 |
-8.92 |
0.27 |
0 |
|
|
82538 |
49856153 |
1 |
BClFNO2C18H26 |
ABCDE2F18G26 |
-195.74 |
6.67 |
-9.26 |
0.22 |
0 |
|
|
82539 |
49856154 |
1 |
BFNO2C18H25 |
ABCD2E18F25 |
-188.65 |
5.34 |
-9.12 |
0.3 |
0 |
|
|
82540 |
49856155 |
1 |
BClN3O4C30H39 |
ABC3D4E30F39 |
-219.57 |
10.8 |
-9.64 |
-0.39 |
0 |
|
|
82541 |
49856157 |
1 |
BN3O5C31H42 |
AB3C5D31E42 |
-249.74 |
9.93 |
-9.14 |
-0.16 |
0 |