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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
127373 |
51000661 |
1 |
NO2S2H17C19 |
AB2C2D17E19 |
11.57 |
2.81 |
-8.82 |
-1.41 |
0 |
|
|
127374 |
51000679 |
1 |
N4O4C23H28 |
A4B4C23D28 |
-77.47 |
2.85 |
-8.47 |
-0.72 |
0 |
|
|
127375 |
51000763 |
1 |
SN4O5C32H36 |
AB4C5D32E36 |
-119.36 |
9.51 |
-9.37 |
-0.83 |
0 |
|
|
127376 |
51000766 |
1 |
N3S7C33O47H55 |
A3B7C33D47E55 |
-1970.06 |
10.8 |
-10.44 |
-1.49 |
0 |
|
|
127377 |
51000767 |
1 |
N6O11C43H68 |
A6B11C43D68 |
-547.8 |
7.19 |
-8.77 |
0.1 |
0 |
|
|
127378 |
51000768 |
1 |
ON5C20H23 |
AB5C20D23 |
20.33 |
3.21 |
-8.47 |
-0.22 |
0 |
|
|
127379 |
51000769 |
1 |
O2N5C19H21 |
A2B5C19D21 |
-1.43 |
4.04 |
-8.32 |
-0.06 |
0 |
|
|
127380 |
51000770 |
1 |
ON6C20H24 |
AB6C20D24 |
30.91 |
6.0 |
-8.58 |
-0.3 |
0 |
|
|
127381 |
51000771 |
1 |
ON6C20H24 |
AB6C20D24 |
24.88 |
6.64 |
-8.27 |
0.01 |
0 |
|
|
127382 |
51000772 |
1 |
ON6C20H24 |
AB6C20D24 |
25.75 |
3.92 |
-8.43 |
-0.35 |
0 |
|
|
127383 |
51000773 |
1 |
ON6C20H24 |
AB6C20D24 |
37.7 |
2.07 |
-8.56 |
-0.3 |
0 |
|
|
127384 |
51000774 |
1 |
ON6C23H30 |
AB6C23D30 |
10.95 |
3.35 |
-8.42 |
-0.21 |
0 |
|
|
127385 |
51000775 |
1 |
ON6H22C23 |
AB6C22D23 |
70.2 |
5.65 |
-8.21 |
-1.03 |
0 |
|
|
127386 |
51000776 |
1 |
ON6C22H22 |
AB6C22D22 |
56.28 |
3.54 |
-8.41 |
-0.36 |
0 |
|
|
127387 |
51000777 |
1 |
O2N5H23C24 |
A2B5C23D24 |
12.3 |
3.06 |
-8.41 |
-0.58 |
0 |
|
|
127388 |
51000778 |
1 |
ON6C24H24 |
AB6C24D24 |
57.22 |
7.06 |
-8.3 |
-0.23 |
0 |
|
|
127389 |
51000779 |
1 |
ON6C25H26 |
AB6C25D26 |
56.62 |
3.15 |
-8.44 |
-0.15 |
0 |
|
|
127390 |
51000780 |
1 |
O2N5C25H25 |
A2B5C25D25 |
12.4 |
2.99 |
-8.21 |
-0.16 |
0 |
|
|
127391 |
51000781 |
1 |
N3O4C26H27 |
A3B4C26D27 |
-111.44 |
2.61 |
-8.93 |
-1.22 |
0 |
|
|
127392 |
51000782 |
1 |
N3O4C28H29 |
A3B4C28D29 |
-96.77 |
2.89 |
-8.22 |
-1.16 |
0 |
|
|
127393 |
51000783 |
1 |
SO3N4H22C26 |
AB3C4D22E26 |
-6.01 |
2.91 |
-8.94 |
-1.26 |
0 |
|
|
127394 |
51000784 |
1 |
ClN3O4H20C23 |
AB3C4D20E23 |
-61.05 |
5.01 |
-9.11 |
-1.37 |
0 |
|
|
127395 |
51000785 |
1 |
N3O3C25H25 |
A3B3C25D25 |
-58.05 |
4.26 |
-8.88 |
-1.19 |
0 |
|
|
127396 |
51000786 |
1 |
SN3O3C28H31 |
AB3C3D28E31 |
-60.69 |
4.06 |
-8.43 |
-1.19 |
0 |
|
|
127397 |
51000787 |
1 |
FSO2N4H25C29 |
ABC2D4E25F29 |
-29.94 |
1.31 |
-8.86 |
-1.29 |
0 |
|
|
127398 |
51000788 |
1 |
ClSO2N3H22C24 |
ABC2D3E22F24 |
-26.78 |
3.78 |
-8.98 |
-1.27 |
0 |
|
|
127399 |
51000789 |
1 |
O2S2N3H23C24 |
A2B2C3D23E24 |
-11.76 |
3.1 |
-8.61 |
-1.25 |
0 |
|
|
127400 |
51000790 |
2 |
SO3N4C16H18 |
AB3C4D16E18 |
-139.2 |
12.25 |
-8.78 |
-1.04 |
0 |
|
|
127401 |
51000791 |
1 |
S2O6N8C33H40 |
A2B6C8D33E40 |
-143.63 |
10.49 |
-9.03 |
-1.2 |
0 |
|
|
127402 |
51000792 |
1 |
S2O6N8C31H36 |
A2B6C8D31E36 |
-126.81 |
11.79 |
-8.8 |
-1.09 |
0 |
|
|
127403 |
51000910 |
2 |
NOC10H14 |
ABC10D14 |
-81.53 |
3.44 |
-8.72 |
0.07 |
0 |
|
|
127404 |
51000911 |
1 |
SN2O4C22H28 |
AB2C4D22E28 |
-142.25 |
9.88 |
-8.22 |
-0.4 |
0 |
|
|
127405 |
51000928 |
1 |
OCl2N6C19H20 |
AB2C6D19E20 |
18.08 |
4.61 |
-8.61 |
-0.5 |
0 |
|
|
127406 |
51000965 |
1 |
BrClFO2N4H11C20 |
ABCD2E4F11G20 |
74.15 |
5.57 |
-9.08 |
-1.58 |
0 |
|
|
127407 |
51001012 |
1 |
ON7C23H23 |
AB7C23D23 |
64.37 |
5.65 |
-8.51 |
-0.32 |
0 |
|
|
127408 |
51001021 |
1 |
ClO2N4H21C23 |
AB2C4D21E23 |
-9.4 |
3.97 |
-9.0 |
-1.27 |
0 |
|
|
127409 |
51001127 |
1 |
FO2N3C23H24 |
AB2C3D23E24 |
-22.79 |
5.31 |
-8.28 |
-0.88 |
0 |
|
|
127410 |
51001128 |
1 |
O2N3C25H29 |
A2B3C25D29 |
1.61 |
7.2 |
-8.22 |
-0.74 |
0 |
|
|
127411 |
51001129 |
1 |
O2N3C25H29 |
A2B3C25D29 |
3.13 |
1.45 |
-8.21 |
-1.09 |
0 |
|
|
127412 |
51001193 |
1 |
OS2N4C15H22 |
AB2C4D15E22 |
15.47 |
3.97 |
-8.51 |
-0.48 |
0 |
|
|
127413 |
51001312 |
2 |
N2O2H10C11 |
A2B2C10D11 |
-27.82 |
4.98 |
-8.84 |
-1.82 |
0 |
|
|
127414 |
51001351 |
1 |
O2N7C26H27 |
A2B7C26D27 |
12.31 |
6.75 |
-8.65 |
-0.4 |
0 |
|
|
127415 |
51001494 |
1 |
SN2F3O5C22H25 |
AB2C3D5E22F25 |
-329.03 |
3.64 |
-8.81 |
-0.44 |
0 |
|
|
127416 |
51001501 |
1 |
SN4O9C25H30 |
AB4C9D25E30 |
-322.71 |
6.54 |
-9.76 |
-0.75 |
0 |
|
|
127417 |
51001527 |
1 |
S4O5N10C28H34 |
A4B5C10D28E34 |
-72.7 |
9.0 |
-8.88 |
-1.01 |
0 |
|
|
127418 |
51001580 |
1 |
SN4O10C15H26 |
AB4C10D15E26 |
-427.61 |
5.0 |
-9.74 |
-0.8 |
0 |
|
|
127419 |
51001581 |
1 |
N4O8C17H28 |
A4B8C17D28 |
-353.66 |
3.81 |
-9.69 |
-0.51 |
0 |
|
|
127420 |
51001582 |
1 |
PN4O10C15H27 |
AB4C10D15E27 |
-511.15 |
7.83 |
-9.63 |
-0.69 |
0 |
|
|
127421 |
51001583 |
1 |
SN4O9C22H32 |
AB4C9D22E32 |
-364.12 |
6.75 |
-9.72 |
-0.68 |
0 |
|
|
127422 |
51001584 |
1 |
O17H46C55 |
A17B46C55 |
-545.35 |
6.87 |
-9.33 |
-0.88 |
0 |
|
|
127423 |
51001750 |
1 |
ClO2N6C20H21 |
AB2C6D20E21 |
-17.14 |
2.18 |
-8.67 |
-0.63 |
0 |
|
|
127424 |
51001751 |
1 |
ClO2N6C20H21 |
AB2C6D20E21 |
-15.1 |
3.63 |
-8.58 |
-0.71 |
0 |
|
|
127425 |
51001785 |
1 |
ClON5H24C25 |
ABC5D24E25 |
64.69 |
6.73 |
-8.31 |
-1.27 |
0 |
|
|
127426 |
51001932 |
2 |
ON4C12H14 |
AB4C12D14 |
34.02 |
5.1 |
-8.54 |
-0.72 |
0 |
|
|
127427 |
51002072 |
1 |
ClN3O4H18C27 |
AB3C4D18E27 |
-15.82 |
8.09 |
-8.69 |
-0.72 |
0 |
|
|
127428 |
51002073 |
1 |
ClN2O6H19C27 |
AB2C6D19E27 |
-130.87 |
8.83 |
-8.77 |
-0.78 |
0 |
|
|
127429 |
51002164 |
1 |
NO7C24H31 |
AB7C24D31 |
-238.86 |
3.2 |
-8.8 |
-0.03 |
0 |
|
|
127430 |
51002165 |
1 |
NO4C25H33 |
AB4C25D33 |
-151.15 |
3.98 |
-8.79 |
0.12 |
0 |
|
|
127431 |
51002166 |
1 |
N2O4C23H30 |
A2B4C23D30 |
-129.96 |
6.18 |
-8.26 |
0.27 |
0 |
|
|
127432 |
51002220 |
1 |
O2N3H17C22 |
A2B3C17D22 |
31.23 |
2.55 |
-8.84 |
-0.9 |
0 |
|
|
127433 |
51002221 |
1 |
ClN2O4H15C21 |
AB2C4D15E21 |
-88.72 |
6.34 |
-8.9 |
-0.65 |
0 |
|
|
127434 |
51002222 |
1 |
BrClN2O2H14C20 |
ABC2D2E14F20 |
-3.6 |
3.1 |
-8.75 |
-0.51 |
0 |
|
|
127435 |
51002256 |
1 |
SN2O4C30H38 |
AB2C4D30E38 |
-136.93 |
7.13 |
-7.97 |
-0.66 |
0 |
|
|
127436 |
51002257 |
1 |
NO3C24H33 |
AB3C24D33 |
-126.16 |
3.6 |
-8.62 |
-0.62 |
0 |
|
|
127437 |
51002258 |
1 |
NO3C24H33 |
AB3C24D33 |
-130.37 |
6.95 |
-8.64 |
-0.64 |
0 |
|
|
127438 |
51002350 |
1 |
SN4O5C29H38 |
AB4C5D29E38 |
-154.72 |
4.88 |
-9.31 |
-1.17 |
0 |
|
|
127439 |
51002351 |
1 |
ClN2O3H15C20 |
AB2C3D15E20 |
-36.86 |
3.43 |
-8.76 |
-0.58 |
0 |
|
|
127440 |
51002379 |
1 |
N5O5H29C30 |
A5B5C29D30 |
-81.23 |
3.64 |
-8.39 |
-0.8 |
0 |
|
|
127441 |
51002434 |
1 |
ClFO2N3H13C21 |
ABC2D3E13F21 |
-22.19 |
4.18 |
-9.08 |
-0.83 |
0 |
|
|
127442 |
51002493 |
1 |
SN3O4C27H27 |
AB3C4D27E27 |
-49.21 |
6.92 |
-8.77 |
-1.46 |
0 |
|
|
127443 |
51002553 |
1 |
ClFOSN4H12C19 |
ABCDE4F12G19 |
37.66 |
5.27 |
-9.46 |
-1.57 |
0 |
|
|
127444 |
51002554 |
1 |
SF2O2N3H15C19 |
AB2C2D3E15F19 |
-71.77 |
7.47 |
-9.2 |
-1.1 |
0 |
|
|
127445 |
51002555 |
1 |
FS2N3O4H18C20 |
AB2C3D4E18F20 |
-108.57 |
4.96 |
-9.4 |
-1.41 |
0 |
|
|
127446 |
51002556 |
1 |
FSO2N4H17C19 |
ABC2D4E17F19 |
-23.84 |
8.18 |
-9.18 |
-1.08 |
0 |
|
|
127447 |
51002557 |
1 |
SF2O3N4H18C21 |
AB2C3D4E18F21 |
-112.01 |
9.23 |
-9.35 |
-1.41 |
0 |
|
|
127448 |
51002558 |
1 |
NO5C27H27 |
AB5C27D27 |
-126.7 |
4.94 |
-8.96 |
-0.8 |
0 |
|
|
127449 |
51002559 |
1 |
NO5C23H29 |
AB5C23D29 |
-178.98 |
1.79 |
-8.77 |
0.09 |
0 |
|
|
127450 |
51002560 |
1 |
NO5C21H23 |
AB5C21D23 |
-155.5 |
3.02 |
-8.93 |
-0.8 |
0 |
|
|
127451 |
51002561 |
1 |
ClNO4C20H22 |
ABC4D20E22 |
-130.95 |
4.25 |
-8.92 |
-0.18 |
0 |
|
|
127452 |
51002562 |
1 |
N2O4C23H26 |
A2B4C23D26 |
-111.19 |
2.3 |
-8.47 |
-0.08 |
0 |
|
|
127453 |
51002645 |
1 |
BrO3C11H13 |
AB3C11D13 |
-123.79 |
3.48 |
-9.63 |
-0.32 |
0 |
|
|
127454 |
51002750 |
1 |
O10N11C50H67 |
A10B11C50D67 |
-353.71 |
6.97 |
-8.27 |
-1.46 |
0 |
|
|
127455 |
51002790 |
1 |
O10N11C49H65 |
A10B11C49D65 |
-340.17 |
10.0 |
-8.38 |
-1.11 |
0 |
|
|
127456 |
51002791 |
1 |
O9N10C44H56 |
A9B10C44D56 |
-285.67 |
7.37 |
-8.33 |
-1.23 |
0 |
|
|
127457 |
51002792 |
1 |
O9N10C48H64 |
A9B10C48D64 |
-295.11 |
10.1 |
-8.27 |
-0.99 |
0 |
|
|
127458 |
51002864 |
1 |
FOSN3C11H16 |
ABCD3E11F16 |
-33.2 |
0.65 |
-8.81 |
-0.72 |
0 |
|
|
127459 |
51002867 |
1 |
FSO2N3C12H18 |
ABC2D3E12F18 |
-68.71 |
1.56 |
-8.76 |
-0.71 |
0 |
|
|
127460 |
51002868 |
1 |
FSN3O3C14H22 |
ABC3D3E14F22 |
-107.65 |
4.72 |
-8.79 |
-0.57 |
0 |
|
|
127461 |
51002869 |
1 |
NO2C23H25 |
AB2C23D25 |
-40.17 |
3.77 |
-9.15 |
0.06 |
0 |
|
|
127462 |
51002937 |
1 |
FNO4C20H22 |
ABC4D20E22 |
-189.49 |
5.51 |
-9.21 |
-0.45 |
0 |
|
|
127463 |
51002967 |
1 |
SnO2F3C29H41 |
AB2C3D29E41 |
-244.58 |
3.22 |
-9.23 |
-1.22 |
0 |
|
|
127464 |
51002968 |
1 |
O2F3H21C25 |
A2B3C21D25 |
-169.36 |
3.12 |
-9.35 |
-1.3 |
0 |
|
|
127465 |
51002990 |
1 |
SCl2O2N4H16C18 |
AB2C2D4E16F18 |
6.73 |
4.64 |
-9.28 |
-1.22 |
0 |
|
|
127466 |
51003068 |
1 |
Br3O4C17H21 |
A3B4C17D21 |
-134.74 |
5.08 |
-9.8 |
-0.86 |
0 |
|
|
127467 |
51003069 |
1 |
N3O3H7C9 |
A3B3C7D9 |
5.9 |
4.81 |
-9.01 |
-1.24 |
0 |
|
|
127468 |
51003070 |
1 |
N3O6C15H19 |
A3B6C15D19 |
-128.07 |
8.5 |
-8.78 |
-1.02 |
0 |
|
|
127469 |
51003079 |
1 |
NO2C14H17 |
AB2C14D17 |
-56.23 |
1.82 |
-9.88 |
-0.23 |
0 |
|
|
127470 |
51003338 |
1 |
O2N4C21H24 |
A2B4C21D24 |
-11.15 |
4.92 |
-8.48 |
-0.44 |
0 |
|
|
127471 |
51003409 |
2 |
N2O2H8C11 |
A2B2C8D11 |
-51.26 |
3.77 |
-8.73 |
-1.36 |
0 |
|
|
127472 |
51003410 |
1 |
NO4C7H15 |
AB4C7D15 |
-193.49 |
5.71 |
-9.65 |
1.44 |
0 |