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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
444482 |
135262596 |
1 |
FO3N6C26H35 |
AB3C6D26E35 |
-110.98 |
2.34 |
-8.75 |
-0.75 |
0 |
|
|
444483 |
135262598 |
1 |
N4O4C29H40 |
A4B4C29D40 |
-142.67 |
1.15 |
-8.9 |
-0.16 |
0 |
|
|
444484 |
135262601 |
1 |
NO3C11H15 |
AB3C11D15 |
-88.31 |
0.81 |
-9.66 |
-0.01 |
0 |
|
|
444485 |
135262602 |
1 |
O4N6C27H36 |
A4B6C27D36 |
-91.3 |
5.12 |
-8.72 |
-0.69 |
0 |
|
|
444486 |
135262614 |
1 |
ClFN3C13H17 |
ABC3D13E17 |
-28.65 |
4.77 |
-8.56 |
-0.18 |
0 |
|
|
444487 |
135262615 |
1 |
O2F3N6C24H29 |
A2B3C6D24E29 |
-162.92 |
3.57 |
-8.85 |
-0.87 |
0 |
|
|
444488 |
135262621 |
1 |
ClN2O2C10H11 |
AB2C2D10E11 |
-38.68 |
1.85 |
-10.1 |
-1.19 |
0 |
|
|
444489 |
135262622 |
1 |
BrN2O2C17H19 |
AB2C2D17E19 |
-32.75 |
6.43 |
-9.49 |
-0.34 |
0 |
|
|
444490 |
135262623 |
1 |
N2O2C7H14 |
A2B2C7D14 |
-100.46 |
3.65 |
-9.31 |
0.77 |
0 |
|
|
444491 |
135262624 |
1 |
F3O4N7C31H36 |
A3B4C7D31E36 |
-190.77 |
6.4 |
-8.85 |
-1.22 |
0 |
|
|
444492 |
135262625 |
1 |
O3N7C28H35 |
A3B7C28D35 |
-34.42 |
5.76 |
-8.84 |
-0.82 |
0 |
|
|
444493 |
135262626 |
1 |
O4N6C27H34 |
A4B6C27D34 |
-35.39 |
4.32 |
-8.9 |
-0.89 |
0 |
|
|
444494 |
135262627 |
1 |
BrF2N3O4C21H22 |
AB2C3D4E21F22 |
-198.98 |
4.75 |
-9.48 |
-0.86 |
0 |
|
|
444495 |
135262628 |
3 |
ON2C9H12 |
AB2C9D12 |
-37.54 |
2.96 |
-8.82 |
-0.81 |
0 |
|
|
444496 |
135262629 |
1 |
O3N6C24H32 |
A3B6C24D32 |
-47.08 |
5.53 |
-8.73 |
-0.7 |
0 |
|
|
444497 |
135262634 |
1 |
IO2N3C11H16 |
AB2C3D11E16 |
-42.78 |
3.34 |
-9.3 |
-1.36 |
0 |
|
|
444498 |
135262635 |
1 |
ON7C28H37 |
AB7C28D37 |
56.73 |
4.37 |
-8.6 |
-0.58 |
0 |
|
|
444499 |
135262636 |
1 |
O3N6C24H32 |
A3B6C24D32 |
-46.61 |
4.24 |
-8.67 |
-0.64 |
0 |
|
|
444500 |
135262649 |
1 |
IO3N4C16H25 |
AB3C4D16E25 |
-97.55 |
4.02 |
-9.17 |
-1.28 |
0 |
|
|
444501 |
135262655 |
1 |
N2O4C15H20 |
A2B4C15D20 |
-153.4 |
5.04 |
-9.06 |
-0.41 |
0 |
|
|
444502 |
135262668 |
1 |
BrN2O2F3H18C19 |
AB2C2D3E18F19 |
-179.58 |
1.92 |
-9.07 |
-1.15 |
0 |
|
|
444503 |
135262679 |
1 |
SN4O5C28H40 |
AB4C5D28E40 |
-190.97 |
5.47 |
-9.03 |
-0.33 |
0 |
|
|
444504 |
135262681 |
1 |
SO2F3N5C25H26 |
AB2C3D5E25F26 |
-127.15 |
4.77 |
-8.57 |
-1.11 |
0 |
|
|
444505 |
135262699 |
1 |
SO2F3N5C27H28 |
AB2C3D5E27F28 |
-169.4 |
6.98 |
-8.61 |
-1.2 |
0 |
|
|
444506 |
135262700 |
1 |
OSN7C23H27 |
ABC7D23E27 |
64.98 |
0.89 |
-8.47 |
-1.1 |
0 |
|
|
444507 |
135262702 |
1 |
ClSN4O5C16H19 |
ABC4D5E16F19 |
-120.56 |
8.29 |
-9.66 |
-1.74 |
0 |
|
|
444508 |
135262703 |
1 |
OSN7C23H27 |
ABC7D23E27 |
74.72 |
2.88 |
-8.54 |
-1.06 |
0 |
|
|
444509 |
135262704 |
1 |
NO4C9H11 |
AB4C9D11 |
-112.43 |
3.36 |
-9.45 |
-0.66 |
0 |
|
|
444510 |
135262705 |
1 |
NO3C8H9 |
AB3C8D9 |
-72.21 |
3.18 |
-9.66 |
-0.76 |
0 |
|
|
444511 |
135262706 |
1 |
NO4C12H21 |
AB4C12D21 |
-120.99 |
3.38 |
-9.41 |
0.47 |
0 |
|
|
444512 |
135262709 |
1 |
OC18H26 |
AB18C26 |
-38.86 |
1.71 |
-9.26 |
0.46 |
0 |
|
|
444513 |
135262710 |
1 |
FOC17H23 |
ABC17D23 |
-78.79 |
2.41 |
-9.43 |
-0.05 |
0 |
|
|
444514 |
135262712 |
1 |
OC17H24 |
AB17C24 |
-30.68 |
2.23 |
-9.29 |
0.27 |
0 |
|
|
444515 |
135262713 |
1 |
NO2C19H23 |
AB2C19D23 |
-41.78 |
2.88 |
-10.05 |
-0.78 |
0 |
|
|
444516 |
135262714 |
1 |
NO2C19H23 |
AB2C19D23 |
-42.66 |
1.44 |
-9.76 |
-0.97 |
0 |
|
|
444517 |
135262715 |
1 |
OC17H24 |
AB17C24 |
-31.14 |
2.32 |
-9.36 |
0.34 |
0 |
|
|
444518 |
135262716 |
1 |
NO2H9C11 |
AB2C9D11 |
-24.71 |
4.35 |
-9.41 |
-1.31 |
0 |
|
|
444519 |
135262717 |
2 |
OC9H12 |
AB9C12 |
-74.17 |
4.84 |
-9.52 |
-0.35 |
0 |
|
|
444520 |
135262718 |
2 |
OC9H12 |
AB9C12 |
-72.96 |
5.04 |
-9.59 |
-0.47 |
0 |
|
|
444521 |
135262720 |
1 |
OC20H30 |
AB20C30 |
-39.76 |
2.24 |
-8.99 |
0.52 |
0 |
|
|
444522 |
135262721 |
1 |
FOC15H19 |
ABC15D19 |
-69.23 |
2.36 |
-9.59 |
-0.25 |
0 |
|
|
444523 |
135262722 |
1 |
NOC18H25 |
ABC18D25 |
-32.76 |
4.22 |
-9.38 |
0.03 |
0 |
|
|
444524 |
135262723 |
1 |
NOC18H25 |
ABC18D25 |
-33.69 |
3.49 |
-9.33 |
0.0 |
0 |
|
|
444525 |
135262729 |
1 |
NOC19H27 |
ABC19D27 |
-33.08 |
3.79 |
-9.39 |
0.02 |
0 |
|
|
444526 |
135262731 |
1 |
NOC19H27 |
ABC19D27 |
-34.12 |
3.22 |
-9.29 |
0.19 |
0 |
|
|
444527 |
135262732 |
2 |
OC8H10 |
AB8C10 |
-61.14 |
5.82 |
-9.36 |
-1.08 |
0 |
|
|
444528 |
135262743 |
1 |
PO4H13C18 |
AB4C13D18 |
-128.24 |
0.32 |
-8.65 |
-0.68 |
0 |
|
|
444529 |
135262746 |
1 |
OSN7C26H31 |
ABC7D26E31 |
57.25 |
3.56 |
-8.48 |
-0.89 |
0 |
|
|
444530 |
135262747 |
1 |
SN2O7C33H40 |
AB2C7D33E40 |
-253.93 |
2.12 |
-8.89 |
-0.68 |
0 |
|
|
444531 |
135262749 |
3 |
ON2C9H12 |
AB2C9D12 |
-39.96 |
4.83 |
-8.73 |
-0.71 |
0 |
|
|
444532 |
135262751 |
1 |
NSO4C13H19 |
ABC4D13E19 |
-128.26 |
5.01 |
-9.74 |
-0.65 |
0 |
|
|
444533 |
135262752 |
1 |
O2N6C27H36 |
A2B6C27D36 |
-15.38 |
3.01 |
-8.7 |
-0.7 |
0 |
|
|
444534 |
135262753 |
1 |
O4N6C27H36 |
A4B6C27D36 |
-119.14 |
5.05 |
-8.75 |
-0.74 |
0 |
|
|
444535 |
135262754 |
1 |
BrN2O4C30H33 |
AB2C4D30E33 |
-131.25 |
5.55 |
-8.57 |
-0.14 |
0 |
|
|
444536 |
135262755 |
1 |
ClN3O3C27H28 |
AB3C3D27E28 |
-67.27 |
3.5 |
-8.09 |
-0.32 |
0 |
|
|
444537 |
135262756 |
1 |
N3O3H27C28 |
A3B3C27D28 |
-41.08 |
3.56 |
-8.58 |
-1.61 |
0 |
|
|
444538 |
135262757 |
1 |
BrN2O4H25C26 |
AB2C4D25E26 |
-94.55 |
3.09 |
-8.82 |
-0.43 |
0 |
|
|
444539 |
135262760 |
1 |
O4N6C27H36 |
A4B6C27D36 |
-106.37 |
3.88 |
-8.8 |
-0.8 |
0 |
|
|
444540 |
135262768 |
1 |
N3O3C32H37 |
A3B3C32D37 |
-57.99 |
2.55 |
-7.98 |
0.0 |
0 |
|
|
444541 |
135262771 |
2 |
NOC13H13 |
ABC13D13 |
1.22 |
4.87 |
-8.53 |
0.0 |
0 |
|
|
444542 |
135262790 |
1 |
ClSN4O5C16H19 |
ABC4D5E16F19 |
-113.29 |
8.95 |
-9.59 |
-1.7 |
0 |
|
|
444543 |
135262792 |
1 |
BrSN2O6H23C24 |
ABC2D6E23F24 |
-141.29 |
5.75 |
-8.83 |
-0.37 |
0 |
|
|
444544 |
135262793 |
1 |
N2O3C30H32 |
A2B3C30D32 |
-40.9 |
1.66 |
-8.47 |
0.06 |
0 |
|
|
444545 |
135262806 |
1 |
O4C15H18 |
A4B15C18 |
-146.8 |
0.98 |
-8.95 |
-0.07 |
0 |
|
|
444546 |
135262807 |
1 |
FN2O3H25C26 |
AB2C3D25E26 |
-104.24 |
4.36 |
-9.03 |
-0.55 |
0 |
|
|
444547 |
135262830 |
1 |
BrON3H22C24 |
ABC3D22E24 |
24.0 |
2.95 |
-8.83 |
-0.3 |
0 |
|
|
444548 |
135262831 |
1 |
ClSN2O4H23C24 |
ABC2D4E23F24 |
-89.03 |
4.42 |
-8.91 |
-0.21 |
0 |
|
|
444549 |
135262832 |
1 |
ClNSO4C9H10 |
ABCD4E9F10 |
-179.4 |
3.81 |
-9.48 |
-0.88 |
0 |
|
|
444550 |
135262834 |
1 |
N2O3C28H30 |
A2B3C28D30 |
-70.56 |
3.6 |
-8.84 |
-0.2 |
0 |
|
|
444551 |
135262835 |
1 |
ON4C29H32 |
AB4C29D32 |
28.93 |
1.15 |
-8.78 |
-0.12 |
0 |
|
|
444552 |
135262838 |
1 |
BrNPO6C13H25 |
ABCD6E13F25 |
-246.11 |
3.51 |
-9.16 |
-0.11 |
0 |
|
|
444553 |
135262841 |
1 |
N2O4C11H12 |
A2B4C11D12 |
-109.78 |
4.58 |
-9.56 |
-0.72 |
0 |
|
|
444554 |
135262844 |
1 |
NO3C14H15 |
AB3C14D15 |
-95.06 |
6.37 |
-8.86 |
-0.36 |
0 |
|
|
444555 |
135262847 |
1 |
O3N6C25H34 |
A3B6C25D34 |
-47.9 |
5.69 |
-8.79 |
-0.77 |
0 |
|
|
444556 |
135262850 |
1 |
OSN2C19H24 |
ABC2D19E24 |
2.68 |
3.12 |
-8.08 |
-0.13 |
0 |
|
|
444557 |
135262851 |
1 |
OSN2C19H24 |
ABC2D19E24 |
1.3 |
1.63 |
-8.11 |
0.05 |
0 |
|
|
444558 |
135262852 |
1 |
SN2O5C26H28 |
AB2C5D26E28 |
-112.72 |
3.98 |
-8.71 |
-0.52 |
0 |
|
|
444559 |
135262853 |
1 |
ClN2C17H21 |
AB2C17D21 |
4.85 |
4.95 |
-9.09 |
-0.11 |
0 |
|
|
444560 |
135262854 |
1 |
SO2F3N5C25H26 |
AB2C3D5E25F26 |
-126.8 |
6.02 |
-8.37 |
-1.13 |
0 |
|
|
444561 |
135262855 |
1 |
NO4C18H27 |
AB4C18D27 |
-217.88 |
2.51 |
-8.34 |
0.2 |
0 |
|
|
444562 |
135262856 |
2 |
N2O2C14H15 |
A2B2C14D15 |
-31.58 |
3.33 |
-8.09 |
-0.97 |
0 |
|
|
444563 |
135262859 |
1 |
ClSN2O5H23C24 |
ABC2D5E23F24 |
-113.44 |
3.22 |
-8.93 |
-0.46 |
0 |
|
|
444564 |
135262860 |
1 |
NO3C13H13 |
AB3C13D13 |
-109.44 |
4.01 |
-9.0 |
-0.93 |
0 |
|
|
444565 |
135262861 |
2 |
O2N3C14H19 |
A2B3C14D19 |
-123.91 |
2.48 |
-8.78 |
-0.77 |
0 |
|
|
444566 |
135262878 |
1 |
ClNOSC19H24 |
ABCDE19F24 |
-23.45 |
4.03 |
-8.24 |
0.01 |
0 |
|
|
444567 |
135262881 |
1 |
NO4C17H21 |
AB4C17D21 |
-169.39 |
7.73 |
-8.84 |
-0.4 |
0 |
|
|
444568 |
135262882 |
1 |
N2O5C28H28 |
A2B5C28D28 |
-128.93 |
4.46 |
-9.35 |
-0.48 |
0 |
|
|
444569 |
135262884 |
1 |
NO3C14H15 |
AB3C14D15 |
-92.13 |
7.32 |
-9.54 |
-0.54 |
0 |
|
|
444570 |
135262885 |
1 |
NSO4C14H17 |
ABC4D14E17 |
-134.44 |
4.83 |
-8.86 |
-0.29 |
0 |
|
|
444571 |
135262886 |
1 |
N2O3C29H32 |
A2B3C29D32 |
-71.97 |
3.78 |
-8.1 |
-0.64 |
0 |
|
|
444572 |
135262887 |
1 |
O2N3C28H29 |
A2B3C28D29 |
-27.92 |
3.3 |
-8.71 |
-0.32 |
0 |
|
|
444573 |
135262888 |
1 |
BrNO2H10C11 |
ABC2D10E11 |
-24.64 |
4.82 |
-8.55 |
-1.14 |
0 |
|
|
444574 |
135262889 |
1 |
BrNO2C11H12 |
ABC2D11E12 |
-54.38 |
2.78 |
-9.41 |
-0.39 |
0 |
|
|
444575 |
135262890 |
1 |
ClSN2O4C25H25 |
ABC2D4E25F25 |
-89.83 |
1.94 |
-8.86 |
-0.33 |
0 |
|
|
444576 |
135262896 |
1 |
NO5C15H15 |
AB5C15D15 |
-154.65 |
1.98 |
-9.12 |
-0.65 |
0 |
|
|
444577 |
135262897 |
1 |
NO4C28H31 |
AB4C28D31 |
-114.54 |
4.28 |
-8.89 |
0.01 |
0 |
|
|
444578 |
135262898 |
1 |
N2O4C29H30 |
A2B4C29D30 |
-88.43 |
5.61 |
-8.66 |
-0.16 |
0 |
|
|
444579 |
135262900 |
1 |
BrNSO4H12C16 |
ABCD4E12F16 |
-99.77 |
9.31 |
-9.39 |
-1.24 |
0 |
|
|
444580 |
135262901 |
1 |
BrClNOC13H15 |
ABCDE13F15 |
-34.64 |
3.2 |
-9.21 |
-0.3 |
0 |
|
|
444581 |
135262903 |
1 |
N3O3C28H31 |
A3B3C28D31 |
-73.9 |
4.03 |
-8.02 |
-0.25 |
0 |