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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
74052 |
48421398 |
1 |
SO3N4C17H24 |
AB3C4D17E24 |
-77.83 |
3.63 |
-9.21 |
-0.4 |
0 |
|
|
74053 |
48421399 |
1 |
N3O4C18H23 |
A3B4C18D23 |
-117.56 |
2.08 |
-8.67 |
-0.21 |
0 |
|
|
74054 |
48421400 |
1 |
O3N6C20H24 |
A3B6C20D24 |
-9.56 |
11.79 |
-9.09 |
-0.84 |
0 |
|
|
74055 |
48421402 |
2 |
N2O2C10H11 |
A2B2C10D11 |
-69.39 |
4.21 |
-9.08 |
-1.04 |
0 |
|
|
74056 |
48421403 |
1 |
N2O4C19H24 |
A2B4C19D24 |
-127.54 |
3.75 |
-8.6 |
0.14 |
0 |
|
|
74057 |
48421404 |
1 |
Cl2N2O3C18H20 |
A2B2C3D18E20 |
-103.59 |
3.82 |
-8.98 |
-0.49 |
0 |
|
|
74058 |
48421405 |
1 |
N3O5C18H21 |
A3B5C18D21 |
-94.05 |
3.91 |
-9.48 |
-1.43 |
0 |
|
|
74059 |
48421406 |
1 |
ClN2O3C19H23 |
AB2C3D19E23 |
-102.79 |
2.93 |
-8.71 |
-0.05 |
0 |
|
|
74060 |
48421408 |
1 |
N2O3C19H24 |
A2B3C19D24 |
-95.02 |
2.2 |
-8.82 |
0.15 |
0 |
|
|
74061 |
48421409 |
1 |
N2O5C19H22 |
A2B5C19D22 |
-146.91 |
3.08 |
-8.36 |
-0.03 |
0 |
|
|
74062 |
48421410 |
1 |
BrON4C15H17 |
ABC4D15E17 |
37.72 |
1.55 |
-8.59 |
-0.36 |
0 |
|
|
74063 |
48421411 |
1 |
BrON5H16C18 |
ABC5D16E18 |
87.13 |
1.19 |
-8.97 |
-0.93 |
0 |
|
|
74064 |
48421413 |
1 |
SN3O3C21H23 |
AB3C3D21E23 |
-40.33 |
3.45 |
-8.75 |
-0.59 |
0 |
|
|
74065 |
48421414 |
1 |
SN3O3C19H23 |
AB3C3D19E23 |
-68.1 |
3.83 |
-8.76 |
-0.63 |
0 |
|
|
74066 |
48421415 |
1 |
SN3O5C19H25 |
AB3C5D19E25 |
-162.65 |
3.44 |
-9.25 |
-0.7 |
0 |
|
|
74067 |
48421416 |
1 |
BrN2O3H17C18 |
AB2C3D17E18 |
-41.53 |
4.17 |
-8.97 |
-0.38 |
0 |
|
|
74068 |
48421418 |
1 |
BrO2N5C15H16 |
AB2C5D15E16 |
3.41 |
5.26 |
-8.88 |
-0.71 |
0 |
|
|
74069 |
48421419 |
1 |
BrON6H17C18 |
ABC6D17E18 |
100.78 |
11.11 |
-9.35 |
-1.05 |
0 |
|
|
74070 |
48421420 |
1 |
BrON6H15C17 |
ABC6D15E17 |
95.98 |
8.75 |
-9.11 |
-1.05 |
0 |
|
|
74071 |
48421421 |
1 |
BrO2N4H15C18 |
AB2C4D15E18 |
40.35 |
1.54 |
-9.25 |
-1.14 |
0 |
|
|
74072 |
48421422 |
1 |
BrN2O2C17H17 |
AB2C2D17E17 |
-17.77 |
5.2 |
-8.72 |
-0.39 |
0 |
|
|
74073 |
48421423 |
1 |
O2N6C17H28 |
A2B6C17D28 |
-56.77 |
7.32 |
-8.62 |
0.35 |
0 |
|
|
74074 |
48421424 |
1 |
BrN3O3H12C14 |
AB3C3D12E14 |
19.89 |
4.34 |
-9.81 |
-1.03 |
0 |
|
|
74075 |
48421425 |
1 |
BrN2O3H15C17 |
AB2C3D15E17 |
-38.41 |
4.05 |
-8.46 |
-0.38 |
0 |
|
|
74076 |
48421426 |
1 |
ON4C17H26 |
AB4C17D26 |
-26.99 |
7.78 |
-8.66 |
-0.02 |
0 |
|
|
74077 |
48421427 |
1 |
O2N4C23H30 |
A2B4C23D30 |
-23.94 |
6.68 |
-8.54 |
-0.87 |
0 |
|
|
74078 |
48421430 |
1 |
O2N5C21H31 |
A2B5C21D31 |
-77.37 |
1.88 |
-8.42 |
0.26 |
0 |
|
|
74079 |
48421433 |
1 |
ClO3N4C18H25 |
AB3C4D18E25 |
-55.28 |
10.13 |
-8.86 |
-1.34 |
0 |
|
|
74080 |
48421434 |
1 |
N3O3C22H29 |
A3B3C22D29 |
-112.27 |
11.75 |
-8.89 |
-0.71 |
0 |
|
|
74081 |
48421436 |
1 |
OSN6C19H26 |
ABC6D19E26 |
35.59 |
5.58 |
-8.58 |
-1.41 |
0 |
|
|
74082 |
48421437 |
1 |
O2N4C23H36 |
A2B4C23D36 |
-98.83 |
4.96 |
-8.31 |
-0.03 |
0 |
|
|
74083 |
48421438 |
1 |
N3O3C20H29 |
A3B3C20D29 |
-100.57 |
3.41 |
-8.32 |
-0.2 |
0 |
|
|
74084 |
48421439 |
1 |
ON4C18H28 |
AB4C18D28 |
-35.31 |
3.81 |
-8.62 |
-0.02 |
0 |
|
|
74085 |
48421442 |
1 |
ON7C19H27 |
AB7C19D27 |
31.37 |
9.63 |
-8.82 |
-0.94 |
0 |
|
|
74086 |
48421443 |
1 |
ON5C17H29 |
AB5C17D29 |
-20.78 |
7.32 |
-8.62 |
0.58 |
0 |
|
|
74087 |
48421444 |
1 |
OSN5C14H23 |
ABC5D14E23 |
-9.18 |
8.18 |
-8.9 |
-0.44 |
0 |
|
|
74088 |
48421445 |
2 |
ON2C9H14 |
AB2C9D14 |
-69.1 |
5.29 |
-8.54 |
-0.1 |
0 |
|
|
74089 |
48421446 |
1 |
ON5C15H25 |
AB5C15D25 |
-13.03 |
7.31 |
-8.55 |
0.53 |
0 |
|
|
74090 |
48421447 |
1 |
O2N5C20H27 |
A2B5C20D27 |
-23.3 |
2.62 |
-8.67 |
-1.02 |
0 |
|
|
74091 |
48421448 |
1 |
O2N3C19H29 |
A2B3C19D29 |
-80.6 |
4.24 |
-8.52 |
0.3 |
0 |
|
|
74092 |
48421449 |
1 |
O3N4C18H26 |
A3B4C18D26 |
-49.09 |
2.57 |
-8.68 |
-1.3 |
0 |
|
|
74093 |
48421450 |
1 |
ON3C19H29 |
AB3C19D29 |
-45.9 |
5.63 |
-8.52 |
0.4 |
0 |
|
|
74094 |
48421454 |
1 |
N3O5C21H31 |
A3B5C21D31 |
-199.33 |
2.93 |
-8.71 |
-0.12 |
0 |
|
|
74095 |
48421455 |
1 |
OSN4C19H28 |
ABC4D19E28 |
-17.55 |
7.86 |
-8.76 |
-0.48 |
0 |
|
|
74096 |
48421458 |
1 |
ClON5C20H22 |
ABC5D20E22 |
29.79 |
5.71 |
-8.28 |
-0.27 |
0 |
|
|
74097 |
48421459 |
1 |
O3N4C18H28 |
A3B4C18D28 |
-123.94 |
5.2 |
-9.09 |
-0.15 |
0 |
|
|
74098 |
48421460 |
1 |
O3N4C18H28 |
A3B4C18D28 |
-124.13 |
3.79 |
-9.05 |
-0.14 |
0 |
|
|
74099 |
48421461 |
1 |
O3N5C18H31 |
A3B5C18D31 |
-115.19 |
3.42 |
-8.53 |
0.41 |
0 |
|
|
74100 |
48421462 |
2 |
O2N3C9H15 |
A2B3C9D15 |
-150.53 |
4.1 |
-8.84 |
0.2 |
0 |
|
|
74101 |
48421463 |
1 |
O3N4C22H30 |
A3B4C22D30 |
-108.67 |
6.09 |
-8.37 |
-0.48 |
0 |
|
|
74102 |
48421464 |
3 |
ON2C7H10 |
AB2C7D10 |
-69.22 |
4.0 |
-8.62 |
-0.7 |
0 |
|
|
74103 |
48421465 |
1 |
O3N5C18H31 |
A3B5C18D31 |
-120.62 |
5.83 |
-8.81 |
0.48 |
0 |
|
|
74104 |
48421466 |
1 |
O3N4C19H30 |
A3B4C19D30 |
-128.18 |
6.28 |
-8.72 |
0.21 |
0 |
|
|
74105 |
48421467 |
1 |
SO3N5C15H25 |
AB3C5D15E25 |
-91.64 |
9.18 |
-9.25 |
-0.8 |
0 |
|
|
74106 |
48421468 |
1 |
SO3N5C18H31 |
AB3C5D18E31 |
-126.33 |
7.1 |
-9.05 |
-0.27 |
0 |
|
|
74107 |
48421470 |
1 |
O3N4C16H24 |
A3B4C16D24 |
-42.54 |
6.88 |
-8.69 |
-0.82 |
0 |
|
|
74108 |
48421471 |
1 |
O2N3C18H27 |
A2B3C18D27 |
-80.47 |
5.57 |
-8.62 |
0.0 |
0 |
|
|
74109 |
48421472 |
1 |
ClO2N3H20C21 |
AB2C3D20E21 |
-25.85 |
4.65 |
-8.26 |
-0.58 |
0 |
|
|
74110 |
48421474 |
1 |
O3N7C20H29 |
A3B7C20D29 |
-65.3 |
10.5 |
-8.82 |
-0.83 |
0 |
|
|
74111 |
48421475 |
1 |
O3N5C16H27 |
A3B5C16D27 |
-114.64 |
3.86 |
-8.46 |
0.73 |
0 |
|
|
74112 |
48421476 |
1 |
O4N5C21H29 |
A4B5C21D29 |
-115.48 |
7.78 |
-9.05 |
-1.09 |
0 |
|
|
74113 |
48421477 |
1 |
N3O4C20H31 |
A3B4C20D31 |
-172.69 |
2.3 |
-8.58 |
0.38 |
0 |
|
|
74114 |
48421479 |
1 |
N3O5C20H29 |
A3B5C20D29 |
-195.76 |
4.13 |
-8.42 |
-0.07 |
0 |
|
|
74115 |
48421480 |
2 |
N2O2C9H12 |
A2B2C9D12 |
-137.32 |
4.3 |
-8.66 |
0.1 |
0 |
|
|
74116 |
48421481 |
1 |
SN3O3C16H19 |
AB3C3D16E19 |
-69.25 |
4.32 |
-9.06 |
-0.67 |
0 |
|
|
74117 |
48421482 |
1 |
O3N4C14H22 |
A3B4C14D22 |
-88.18 |
2.59 |
-8.58 |
0.55 |
0 |
|
|
74118 |
48421483 |
1 |
O4N5C14H21 |
A4B5C14D21 |
-121.96 |
4.58 |
-8.87 |
0.21 |
0 |
|
|
74119 |
48421486 |
1 |
N2O5C17H22 |
A2B5C17D22 |
-166.49 |
3.37 |
-9.02 |
-0.4 |
0 |
|
|
74120 |
48421487 |
1 |
N2O5C19H22 |
A2B5C19D22 |
-177.92 |
9.52 |
-9.14 |
-0.89 |
0 |
|
|
74121 |
48421488 |
1 |
O3N5C17H21 |
A3B5C17D21 |
-40.29 |
2.08 |
-8.77 |
-0.85 |
0 |
|
|
74122 |
48421489 |
1 |
SO3N5C16H19 |
AB3C5D16E19 |
-27.4 |
5.38 |
-9.29 |
-1.35 |
0 |
|
|
74123 |
48421491 |
1 |
O3N4C14H22 |
A3B4C14D22 |
-86.07 |
6.83 |
-8.8 |
0.28 |
0 |
|
|
74124 |
48421492 |
3 |
NOC5H7 |
ABC5D7 |
-93.86 |
4.86 |
-9.19 |
-0.23 |
0 |
|
|
74125 |
48421493 |
1 |
SO3N4C14H22 |
AB3C4D14E22 |
-90.7 |
6.5 |
-9.3 |
-0.46 |
0 |
|
|
74126 |
48421494 |
1 |
N3O4C15H21 |
A3B4C15D21 |
-132.41 |
4.99 |
-8.71 |
-0.25 |
0 |
|
|
74127 |
48421496 |
1 |
O3N6C16H20 |
A3B6C16D20 |
-30.55 |
7.37 |
-9.1 |
-1.06 |
0 |
|
|
74128 |
48421497 |
1 |
N4O4C17H20 |
A4B4C17D20 |
-85.71 |
2.66 |
-9.2 |
-1.12 |
0 |
|
|
74129 |
48421498 |
2 |
NO2C8H11 |
AB2C8D11 |
-143.66 |
5.27 |
-8.7 |
0.12 |
0 |
|
|
74130 |
48421499 |
1 |
Cl2N2O3C15H18 |
A2B2C3D15E18 |
-116.9 |
5.91 |
-9.0 |
-0.5 |
0 |
|
|
74131 |
48421500 |
1 |
N3O5C15H19 |
A3B5C15D19 |
-110.52 |
2.88 |
-9.49 |
-1.42 |
0 |
|
|
74132 |
48421501 |
1 |
ClN2O3C16H21 |
AB2C3D16E21 |
-120.85 |
5.91 |
-8.81 |
-0.14 |
0 |
|
|
74133 |
48421502 |
1 |
N2O3C16H22 |
A2B3C16D22 |
-112.42 |
4.21 |
-8.74 |
0.19 |
0 |
|
|
74134 |
48421503 |
1 |
SN2O5C15H20 |
AB2C5D15E20 |
-172.15 |
4.13 |
-9.9 |
-0.93 |
0 |
|
|
74135 |
48421504 |
1 |
N2O5C16H20 |
A2B5C16D20 |
-165.2 |
3.81 |
-8.46 |
-0.11 |
0 |
|
|
74136 |
48421505 |
1 |
N4O5C19H30 |
A4B5C19D30 |
-202.34 |
2.52 |
-8.66 |
0.06 |
0 |
|
|
74137 |
48421506 |
1 |
N3O5C21H29 |
A3B5C21D29 |
-157.69 |
3.19 |
-9.59 |
-0.9 |
0 |
|
|
74138 |
48421507 |
1 |
SN3O4C17H25 |
AB3C4D17E25 |
-141.05 |
5.29 |
-8.87 |
-0.5 |
0 |
|
|
74139 |
48421508 |
1 |
N3O4C15H25 |
A3B4C15D25 |
-152.5 |
5.1 |
-9.22 |
-0.23 |
0 |
|
|
74140 |
48421509 |
1 |
N5O5C15H27 |
A5B5C15D27 |
-192.69 |
5.97 |
-8.78 |
0.25 |
0 |
|
|
74141 |
48421510 |
1 |
N3O4C19H27 |
A3B4C19D27 |
-142.81 |
6.83 |
-8.49 |
-0.62 |
0 |
|
|
74142 |
48421511 |
1 |
ClN3O6C16H24 |
AB3C6D16E24 |
-183.49 |
9.7 |
-9.54 |
-1.41 |
0 |
|
|
74143 |
48421512 |
2 |
NO3C10H14 |
AB3C10D14 |
-242.42 |
4.93 |
-9.12 |
-0.95 |
0 |
|
|
74144 |
48421513 |
1 |
O4N5C18H27 |
A4B5C18D27 |
-105.3 |
2.42 |
-8.88 |
-0.88 |
0 |
|
|
74145 |
48421514 |
1 |
SO4N5C17H25 |
AB4C5D17E25 |
-94.2 |
4.36 |
-9.2 |
-1.28 |
0 |
|
|
74146 |
48421515 |
2 |
O2N3C9H14 |
A2B3C9D14 |
-90.59 |
9.08 |
-9.14 |
-0.91 |
0 |
|
|
74147 |
48421516 |
1 |
N4O5C17H26 |
A4B5C17D26 |
-136.67 |
5.22 |
-9.19 |
-0.88 |
0 |
|
|
74148 |
48421517 |
1 |
N3O5C21H35 |
A3B5C21D35 |
-234.73 |
3.99 |
-8.91 |
-0.16 |
0 |
|
|
74149 |
48421518 |
2 |
NO3C9H14 |
AB3C9D14 |
-233.41 |
3.04 |
-8.94 |
-0.31 |
0 |
|
|
74150 |
48421519 |
1 |
N4O4C15H28 |
A4B4C15D28 |
-157.02 |
6.03 |
-8.95 |
0.28 |
0 |
|
|
74151 |
48421520 |
1 |
N3O4C16H27 |
A3B4C16D27 |
-168.07 |
3.58 |
-9.27 |
-0.38 |
0 |