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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
435490 |
135191610 |
1 |
O2N3C19H23 |
A2B3C19D23 |
-26.21 |
4.74 |
-8.34 |
-0.36 |
0 |
|
|
435491 |
135191611 |
1 |
N3C13H19 |
A3B13C19 |
30.89 |
4.93 |
-8.94 |
-0.66 |
0 |
|
|
435492 |
135191612 |
1 |
F2O2N3H15C18 |
A2B2C3D15E18 |
-69.43 |
5.55 |
-8.63 |
-0.88 |
0 |
|
|
435493 |
135191613 |
1 |
N3O4H15C17 |
A3B4C15D17 |
-68.6 |
3.41 |
-9.0 |
-1.2 |
0 |
|
|
435494 |
135191614 |
1 |
FN2O2C10H11 |
AB2C2D10E11 |
-103.66 |
8.48 |
-8.69 |
-0.75 |
0 |
|
|
435495 |
135191615 |
1 |
N3C26H31 |
A3B26C31 |
116.76 |
2.11 |
-7.92 |
-0.28 |
0 |
|
|
435496 |
135191616 |
1 |
N3O3C23H27 |
A3B3C23D27 |
-70.39 |
5.32 |
-8.87 |
-0.88 |
0 |
|
|
435497 |
135191617 |
1 |
O3N5C27H29 |
A3B5C27D29 |
-14.91 |
6.39 |
-8.5 |
-1.22 |
0 |
|
|
435498 |
135191625 |
1 |
N3C24H31 |
A3B24C31 |
57.87 |
2.36 |
-7.71 |
-0.19 |
0 |
|
|
435499 |
135191627 |
1 |
N6H20C21 |
A6B20C21 |
138.85 |
4.33 |
-8.67 |
-0.53 |
0 |
|
|
435500 |
135191634 |
2 |
N2O2C15H16 |
A2B2C15D16 |
-73.85 |
4.83 |
-8.82 |
-1.16 |
0 |
|
|
435501 |
135191642 |
1 |
N3C26H29 |
A3B26C29 |
96.29 |
1.6 |
-8.3 |
-0.26 |
0 |
|
|
435502 |
135191643 |
2 |
O2N3C14H15 |
A2B3C14D15 |
50.05 |
7.46 |
-8.52 |
-1.08 |
0 |
|
|
435503 |
135191644 |
2 |
N2O2H11C12 |
A2B2C11D12 |
-43.71 |
5.12 |
-8.91 |
-1.1 |
0 |
|
|
435504 |
135191647 |
1 |
F3N5C21H28 |
A3B5C21D28 |
-64.44 |
5.06 |
-8.15 |
-0.07 |
0 |
|
|
435505 |
135191648 |
2 |
N2C3H8 |
A2B3C8 |
44.75 |
1.62 |
-8.14 |
1.81 |
0 |
|
|
435506 |
135191659 |
1 |
N2O3C31H34 |
A2B3C31D34 |
-52.7 |
4.69 |
-8.02 |
-0.48 |
0 |
|
|
435507 |
135191664 |
1 |
NH21C23 |
AB21C23 |
78.35 |
1.88 |
-7.89 |
-0.19 |
0 |
|
|
435508 |
135191665 |
1 |
SC19H22 |
AB19C22 |
26.91 |
3.17 |
-7.97 |
-0.35 |
0 |
|
|
435509 |
135191673 |
1 |
ON2H52C58 |
AB2C52D58 |
259.18 |
2.17 |
-7.75 |
-0.35 |
0 |
|
|
435510 |
135191676 |
1 |
NO3H15C17 |
AB3C15D17 |
-62.89 |
5.8 |
-8.32 |
-0.72 |
0 |
|
|
435511 |
135191677 |
1 |
N2C13H24 |
A2B13C24 |
-26.76 |
3.39 |
-9.52 |
1.37 |
0 |
|
|
435512 |
135191678 |
1 |
ON4H44C62 |
AB4C44D62 |
244.78 |
1.96 |
-8.14 |
-0.92 |
0 |
|
|
435513 |
135191679 |
1 |
NH25C28 |
AB25C28 |
74.69 |
1.19 |
-7.96 |
-0.3 |
0 |
|
|
435514 |
135191681 |
1 |
NH19C21 |
AB19C21 |
75.62 |
2.03 |
-8.02 |
-0.27 |
0 |
|
|
435515 |
135191682 |
1 |
N2H34C45 |
A2B34C45 |
316.03 |
0.98 |
-8.09 |
-0.7 |
0 |
|
|
435516 |
135191688 |
1 |
ON3H31C36 |
AB3C31D36 |
101.29 |
2.14 |
-8.04 |
-1.03 |
0 |
|
|
435517 |
135191692 |
1 |
SC10H16 |
AB10C16 |
14.79 |
2.74 |
-8.81 |
0.18 |
0 |
|
|
435518 |
135191701 |
1 |
SH16C19 |
AB16C19 |
63.41 |
1.47 |
-8.46 |
-0.55 |
0 |
|
|
435519 |
135191702 |
1 |
SC23H24 |
AB23C24 |
94.79 |
2.05 |
-7.87 |
-0.85 |
0 |
|
|
435520 |
135191711 |
1 |
ClNOC13H20 |
ABCD13E20 |
-55.56 |
5.25 |
-9.68 |
0.64 |
0 |
|
|
435521 |
135191712 |
1 |
NO2H39C48 |
AB2C39D48 |
111.82 |
1.6 |
-7.91 |
-0.69 |
0 |
|
|
435522 |
135191713 |
1 |
INC19H26 |
ABC19D26 |
65.01 |
3.56 |
-8.68 |
-0.77 |
0 |
|
|
435523 |
135191715 |
1 |
NH29C33 |
AB29C33 |
102.34 |
1.35 |
-7.89 |
-0.36 |
0 |
|
|
435524 |
135191716 |
1 |
SC25H26 |
AB25C26 |
122.36 |
2.64 |
-8.48 |
-0.3 |
0 |
|
|
435525 |
135191717 |
1 |
ON2C50H60 |
AB2C50D60 |
-0.06 |
0.66 |
-7.85 |
0.09 |
0 |
|
|
435526 |
135191718 |
1 |
NOC39H43 |
ABC39D43 |
102.05 |
4.03 |
-8.41 |
-0.47 |
0 |
|
|
435527 |
135191727 |
1 |
NOH21C32 |
ABC21D32 |
126.32 |
3.01 |
-8.47 |
-1.04 |
0 |
|
|
435528 |
135191728 |
1 |
NO2C7H15 |
AB2C7D15 |
-88.27 |
2.74 |
-9.2 |
2.0 |
0 |
|
|
435529 |
135191729 |
1 |
ON2H44C56 |
AB2C44D56 |
269.89 |
0.67 |
-7.85 |
-0.65 |
0 |
|
|
435530 |
135191730 |
1 |
ON2C42H68 |
AB2C42D68 |
-135.56 |
1.72 |
-8.1 |
2.43 |
0 |
|
|
435531 |
135191734 |
2 |
NH15C22 |
AB15C22 |
374.58 |
2.73 |
-8.12 |
-0.63 |
0 |
|
|
435532 |
135191735 |
2 |
N2H24C25 |
A2B24C25 |
157.53 |
0.87 |
-7.58 |
-0.19 |
0 |
|
|
435533 |
135191737 |
1 |
NO2H41C49 |
AB2C41D49 |
113.62 |
3.47 |
-8.27 |
-0.81 |
0 |
|
|
435534 |
135191754 |
1 |
FSN3O3H12C16 |
ABC3D3E12F16 |
-33.39 |
5.26 |
-9.1 |
-0.75 |
0 |
|
|
435535 |
135191756 |
1 |
FSCl2N3O4H12C15 |
ABC2D3E4F12G15 |
-144.81 |
4.45 |
-8.72 |
-0.93 |
0 |
|
|
435536 |
135191767 |
1 |
Cl2S2F3N5O7H22C30 |
A2B2C3D5E7F22G30 |
-322.92 |
2.48 |
-9.18 |
-0.97 |
0 |
|
|
435537 |
135191768 |
1 |
ClSN2O4H11C15 |
ABC2D4E11F15 |
-87.22 |
6.06 |
-8.68 |
-0.98 |
0 |
|
|
435538 |
135191769 |
1 |
ClSF3N3O3H11C15 |
ABC3D3E3F11G15 |
-207.03 |
5.85 |
-9.32 |
-0.92 |
0 |
|
|
435539 |
135191770 |
1 |
ClSO2N4H9C14 |
ABC2D4E9F14 |
21.99 |
6.45 |
-9.24 |
-1.41 |
0 |
|
|
435540 |
135191771 |
1 |
NS2O5C19H25 |
AB2C5D19E25 |
-228.64 |
3.16 |
-8.84 |
-0.97 |
0 |
|
|
435541 |
135191773 |
1 |
NSCl2F2O3H7C14 |
ABC2D2E3F7G14 |
-150.05 |
3.09 |
-9.72 |
-1.25 |
0 |
|
|
435542 |
135191774 |
1 |
SN2O5C23H32 |
AB2C5D23E32 |
-231.57 |
4.31 |
-8.54 |
-0.54 |
0 |
|
|
435543 |
135191775 |
1 |
F2O4N8C33H34 |
A2B4C8D33E34 |
-114.42 |
5.43 |
-8.5 |
-1.34 |
0 |
|
|
435544 |
135191776 |
1 |
ClSF2O2N3H8C13 |
ABC2D2E3F8G13 |
-101.28 |
4.02 |
-9.19 |
-1.23 |
0 |
|
|
435545 |
135191777 |
1 |
ClFO2S2N4H8C14 |
ABC2D2E4F8G14 |
-11.71 |
6.47 |
-8.82 |
-1.58 |
0 |
|
|
435546 |
135191778 |
1 |
SCl2F4N4O5H14C16 |
AB2C4D4E5F14G16 |
-381.79 |
6.54 |
-9.75 |
-1.64 |
0 |
|
|
435547 |
135191783 |
1 |
SCl2F2O2N3H11C19 |
AB2C2D2E3F11G19 |
-87.51 |
4.65 |
-9.3 |
-1.35 |
0 |
|
|
435548 |
135191785 |
1 |
ClFSO2N3H9C15 |
ABCD2E3F9G15 |
-36.51 |
4.92 |
-9.03 |
-1.39 |
0 |
|
|
435549 |
135191786 |
1 |
BrClSO3N4H10C13 |
ABCD3E4F10G13 |
-29.09 |
2.66 |
-9.37 |
-1.12 |
0 |
|
|
435550 |
135191788 |
1 |
BrSF2O2N3H8C15 |
ABC2D2E3F8G15 |
-73.45 |
7.73 |
-9.4 |
-1.21 |
0 |
|
|
435551 |
135191789 |
1 |
S2Cl3F3O4N6H20C28 |
A2B3C3D4E6F20G28 |
-183.41 |
8.75 |
-8.8 |
-1.01 |
0 |
|
|
435552 |
135191790 |
1 |
ClFSO2N3H11C14 |
ABCD2E3F11G14 |
-69.49 |
7.61 |
-8.99 |
-0.77 |
0 |
|
|
435553 |
135191791 |
1 |
SCl2F2O2N3H9C14 |
AB2C2D2E3F9G14 |
-117.74 |
5.35 |
-9.07 |
-1.12 |
0 |
|
|
435554 |
135191792 |
1 |
N5O8C31H37 |
A5B8C31D37 |
-287.51 |
6.65 |
-9.0 |
-0.93 |
0 |
|
|
435555 |
135191794 |
1 |
ClSO3N4H9C14 |
ABC3D4E9F14 |
31.04 |
6.73 |
-9.05 |
-1.38 |
0 |
|
|
435556 |
135191796 |
1 |
O6H10C17 |
A6B10C17 |
-162.48 |
5.04 |
-10.52 |
-2.08 |
0 |
|
|
435557 |
135191800 |
1 |
O3C14H24 |
A3B14C24 |
-184.73 |
3.46 |
-10.3 |
0.83 |
0 |
|
|
435558 |
135191803 |
1 |
FO4H19C25 |
AB4C19D25 |
-108.55 |
2.42 |
-8.94 |
-0.83 |
0 |
|
|
435559 |
135191805 |
1 |
FO2C11H11 |
AB2C11D11 |
-101.53 |
3.25 |
-9.21 |
-0.57 |
0 |
|
|
435560 |
135191806 |
2 |
N2O4C25H42 |
A2B4C25D42 |
-435.82 |
1.82 |
-8.32 |
-1.29 |
0 |
|
|
435561 |
135191809 |
2 |
FOC7H14 |
ABC7D14 |
-234.45 |
5.03 |
-9.66 |
1.52 |
0 |
|
|
435562 |
135191811 |
1 |
NC15H27 |
AB15C27 |
-32.63 |
1.75 |
-8.01 |
1.54 |
0 |
|
|
435563 |
135191813 |
1 |
O2C17H30 |
A2B17C30 |
-149.93 |
2.19 |
-10.2 |
1.09 |
0 |
|
|
435564 |
135191819 |
1 |
BrSN7O7C38H38 |
ABC7D7E38F38 |
-130.14 |
16.8 |
-8.9 |
-1.7 |
0 |
|
|
435565 |
135191821 |
2 |
NC45H55 |
AB45C55 |
11.27 |
2.8 |
-7.48 |
-0.19 |
0 |
|
|
435566 |
135191825 |
1 |
O3C13H24 |
A3B13C24 |
-151.26 |
3.8 |
-9.65 |
0.54 |
0 |
|
|
435567 |
135191826 |
1 |
N3O13C59H61 |
A3B13C59D61 |
-408.53 |
8.21 |
-9.06 |
-1.54 |
0 |
|
|
435568 |
135191827 |
1 |
O2C17H30 |
A2B17C30 |
-104.96 |
1.78 |
-8.48 |
0.64 |
0 |
|
|
435569 |
135191829 |
1 |
FN3C26H34 |
AB3C26D34 |
-13.48 |
4.76 |
-7.89 |
0.03 |
0 |
|
|
435570 |
135191832 |
2 |
O2C7H8 |
A2B7C8 |
-160.46 |
3.58 |
-10.12 |
-0.67 |
0 |
|
|
435571 |
135191833 |
1 |
NO3C15H25 |
AB3C15D25 |
-154.59 |
7.13 |
-9.91 |
0.4 |
0 |
|
|
435572 |
135191844 |
1 |
O5C16H20 |
A5B16C20 |
-177.5 |
1.5 |
-9.87 |
-0.15 |
0 |
|
|
435573 |
135191845 |
1 |
F2N2O5C16H20 |
A2B2C5D16E20 |
-304.96 |
3.57 |
-9.01 |
-0.72 |
0 |
|
|
435574 |
135191846 |
2 |
O2C7H8 |
A2B7C8 |
-160.58 |
1.56 |
-10.05 |
-0.61 |
0 |
|
|
435575 |
135191851 |
1 |
NOC13H23 |
ABC13D23 |
-61.19 |
3.62 |
-9.29 |
1.1 |
0 |
|
|
435576 |
135191853 |
1 |
SN2O3C15H22 |
AB2C3D15E22 |
-106.74 |
1.97 |
-9.1 |
-0.59 |
0 |
|
|
435577 |
135191856 |
1 |
N3O4C14H19 |
A3B4C14D19 |
-148.21 |
2.02 |
-9.07 |
-0.38 |
0 |
|
|
435578 |
135191857 |
2 |
FON2C12H12 |
ABC2D12E12 |
-99.47 |
3.67 |
-9.34 |
-0.73 |
0 |
|
|
435579 |
135191858 |
2 |
NOC6H7 |
ABC6D7 |
-50.15 |
7.62 |
-9.58 |
-0.21 |
0 |
|
|
435580 |
135191859 |
1 |
NOC9H17 |
ABC9D17 |
-4.13 |
2.56 |
-8.98 |
-0.6 |
0 |
|
|
435581 |
135191860 |
1 |
ClO3C10H11 |
AB3C10D11 |
-126.08 |
3.73 |
-9.2 |
-0.33 |
0 |
|
|
435582 |
135191861 |
1 |
ClO3N5C15H24 |
AB3C5D15E24 |
-116.22 |
2.89 |
-9.28 |
-0.56 |
0 |
|
|
435583 |
135191862 |
1 |
ClFNOH9C11 |
ABCDE9F11 |
-21.51 |
3.13 |
-9.03 |
-0.96 |
0 |
|
|
435584 |
135191863 |
1 |
ClNO3C23H32 |
ABC3D23E32 |
-61.79 |
1.73 |
-9.12 |
-1.42 |
0 |
|
|
435585 |
135191865 |
1 |
FO2N5C21H22 |
AB2C5D21E22 |
-42.14 |
3.05 |
-9.15 |
-0.41 |
0 |
|
|
435586 |
135191867 |
1 |
N3O3C14H21 |
A3B3C14D21 |
-129.44 |
1.97 |
-9.34 |
-0.06 |
0 |
|
|
435587 |
135191870 |
1 |
O3N4C25H28 |
A3B4C25D28 |
-23.15 |
1.41 |
-8.84 |
-0.32 |
0 |
|
|
435588 |
135191871 |
1 |
N3O5C24H27 |
A3B5C24D27 |
-100.88 |
2.15 |
-8.22 |
-0.47 |
0 |
|
|
435589 |
135191872 |
1 |
ClN2O5C21H27 |
AB2C5D21E27 |
-93.79 |
1.56 |
-9.5 |
-2.16 |
0 |