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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
407774 |
135080529 |
1 |
OCl2C6H12 |
AB2C6D12 |
-97.53 |
2.01 |
-10.65 |
-0.06 |
0 |
|
|
407775 |
135080530 |
1 |
O3H5N5C7 |
A3B5C5D7 |
47.19 |
8.03 |
-10.05 |
-1.48 |
1 |
|
|
407776 |
135080531 |
1 |
O3N5H6C7 |
A3B5C6D7 |
49.9 |
5.15 |
0.0 |
0.0 |
0 |
|
|
407777 |
135080532 |
1 |
NSO4C8H17 |
ABC4D8E17 |
-170.6 |
17.99 |
-9.62 |
-0.36 |
0 |
|
|
407778 |
135080533 |
1 |
FSiO2C12H25 |
ABC2D12E25 |
-196.22 |
1.89 |
-8.93 |
1.1 |
0 |
|
|
407779 |
135080534 |
1 |
FOC12H17 |
ABC12D17 |
-103.77 |
3.58 |
-9.62 |
0.18 |
0 |
|
|
407781 |
135080536 |
2 |
NC7H7 |
AB7C7 |
95.5 |
2.19 |
-8.76 |
-0.34 |
0 |
|
|
407782 |
135080537 |
1 |
FO2C10H13 |
AB2C10D13 |
-120.37 |
2.51 |
-9.13 |
0.05 |
0 |
|
|
407783 |
135080538 |
1 |
O3C12H20 |
A3B12C20 |
-161.5 |
2.06 |
-9.82 |
0.49 |
0 |
|
|
407784 |
135080539 |
1 |
NO4H7C9 |
AB4C7D9 |
-55.82 |
4.0 |
-10.1 |
-0.52 |
0 |
|
|
407785 |
135080540 |
1 |
ClFSO2N3H7C10 |
ABCD2E3F7G10 |
-53.92 |
6.15 |
-9.06 |
-1.6 |
0 |
|
|
407786 |
135080541 |
1 |
NO3C13H15 |
AB3C13D15 |
-96.35 |
4.32 |
-8.81 |
-0.07 |
0 |
|
|
407787 |
135080542 |
1 |
NO4C7H9 |
AB4C7D9 |
-151.21 |
4.01 |
-10.52 |
-0.72 |
0 |
|
|
407788 |
135080543 |
2 |
BrOC6H10 |
ABC6D10 |
-97.7 |
2.53 |
-10.11 |
-0.66 |
1 |
|
|
407789 |
135080544 |
1 |
PO4C8H10 |
AB4C8D10 |
-142.37 |
5.39 |
0.0 |
0.0 |
0 |
|
|
407790 |
135080545 |
1 |
PN2O4C10H17 |
AB2C4D10E17 |
-205.85 |
2.38 |
-9.87 |
-0.7 |
0 |
|
|
407791 |
135080546 |
1 |
ON4C12H14 |
AB4C12D14 |
1.35 |
3.77 |
-8.37 |
-0.26 |
0 |
|
|
407792 |
135080547 |
1 |
NOC13H15 |
ABC13D15 |
-9.06 |
4.09 |
-8.62 |
0.18 |
0 |
|
|
407793 |
135080548 |
1 |
ClSC11H13 |
ABC11D13 |
17.43 |
3.16 |
-8.5 |
-0.15 |
0 |
|
|
407794 |
135080549 |
1 |
OC11H18 |
AB11C18 |
-45.63 |
1.78 |
-9.24 |
1.18 |
0 |
|
|
407795 |
135080550 |
1 |
SiC12H26 |
AB12C26 |
-53.82 |
0.95 |
-8.63 |
1.26 |
0 |
|
|
407796 |
135080551 |
1 |
N2C11H16 |
A2B11C16 |
52.02 |
1.92 |
-9.07 |
-0.06 |
0 |
|
|
407797 |
135080552 |
1 |
NO2C13H21 |
AB2C13D21 |
-107.55 |
2.25 |
-9.56 |
0.16 |
0 |
|
|
407798 |
135080553 |
1 |
FNOC13H18 |
ABCD13E18 |
-85.4 |
1.53 |
-7.99 |
0.2 |
0 |
|
|
407799 |
135080554 |
1 |
ClO2F3C9H10 |
AB2C3D9E10 |
-233.22 |
3.48 |
-8.97 |
0.09 |
0 |
|
|
407800 |
135080555 |
3 |
OC5H8 |
AB5C8 |
-129.93 |
1.37 |
-9.69 |
0.81 |
0 |
|
|
407801 |
135080556 |
1 |
SH4N4C5O6 |
AB4C4D5E6 |
-36.32 |
3.14 |
-9.96 |
-2.28 |
0 |
|
|
407802 |
135080557 |
2 |
NC7H12 |
AB7C12 |
3.01 |
1.95 |
-9.32 |
2.08 |
1 |
|
|
407803 |
135080558 |
1 |
Cl2N2C11H11 |
A2B2C11D11 |
45.68 |
1.72 |
0.0 |
0.0 |
0 |
|
|
407804 |
135080559 |
1 |
N2C13H20 |
A2B13C20 |
42.93 |
1.79 |
-8.74 |
-0.33 |
0 |
|
|
407805 |
135080560 |
1 |
F3O4C6H9 |
A3B4C6D9 |
-341.26 |
1.9 |
-11.22 |
0.02 |
0 |
|
|
407806 |
135080561 |
1 |
Cl2O2C9H14 |
A2B2C9D14 |
-122.59 |
2.13 |
-10.83 |
-0.33 |
0 |
|
|
407807 |
135080562 |
1 |
FO3C12H13 |
AB3C12D13 |
-165.11 |
4.45 |
-10.36 |
-1.23 |
0 |
|
|
407808 |
135080563 |
1 |
FSCl2O2N3H6C10 |
ABC2D2E3F6G10 |
-56.37 |
6.72 |
-9.46 |
-1.48 |
0 |
|
|
407809 |
135080564 |
1 |
FNO3H8C11 |
ABC3D8E11 |
-72.2 |
1.95 |
-10.13 |
-0.68 |
0 |
|
|
407810 |
135080565 |
1 |
LiSeC7H11 |
ABC7D11 |
20.38 |
9.76 |
-7.19 |
1.21 |
0 |
|
|
407811 |
135080566 |
1 |
NSO5C9H19 |
ABC5D9E19 |
-253.8 |
4.1 |
-10.06 |
0.22 |
0 |
|
|
407812 |
135080567 |
1 |
OC14H26 |
AB14C26 |
-47.58 |
2.02 |
-8.83 |
0.77 |
0 |
|
|
407813 |
135080568 |
1 |
OSC14H18 |
ABC14D18 |
12.05 |
4.43 |
-8.29 |
-0.13 |
0 |
|
|
407814 |
135080569 |
1 |
PSO2C7H13 |
ABC2D7E13 |
-129.08 |
4.39 |
-9.12 |
0.16 |
0 |
|
|
407815 |
135080570 |
1 |
NSO2H9C10 |
ABC2D9E10 |
31.67 |
4.66 |
-8.73 |
-1.4 |
0 |
|
|
407816 |
135080571 |
1 |
ClO3C11H13 |
AB3C11D13 |
-134.81 |
3.41 |
-9.64 |
-0.3 |
0 |
|
|
407817 |
135080572 |
1 |
NO3C14H21 |
AB3C14D21 |
-104.81 |
2.4 |
-9.02 |
0.38 |
0 |
|
|
407818 |
135080573 |
1 |
O2Cl4C11H18 |
A2B4C11D18 |
-164.98 |
2.29 |
-10.94 |
-0.71 |
0 |
|
|
407819 |
135080574 |
1 |
O3C11H18 |
A3B11C18 |
-168.95 |
4.13 |
-10.13 |
0.72 |
0 |
|
|
407820 |
135080575 |
1 |
OS2C11H20 |
AB2C11D20 |
-54.12 |
5.36 |
-8.24 |
0.51 |
0 |
|
|
407821 |
135080576 |
1 |
NSO2C9H19 |
ABC2D9E19 |
-94.03 |
5.27 |
-8.18 |
-0.04 |
0 |
|
|
407822 |
135080577 |
1 |
LiN2H11C13 |
AB2C11D13 |
68.17 |
7.62 |
-8.05 |
0.32 |
0 |
|
|
407823 |
135080578 |
1 |
N2H12C13 |
A2B12C13 |
73.26 |
4.41 |
-9.76 |
-0.21 |
0 |
|
|
407824 |
135080579 |
1 |
ClN3H8C12 |
AB3C8D12 |
87.05 |
2.91 |
-8.96 |
-0.96 |
0 |
|
|
407825 |
135080580 |
2 |
OC4H6 |
AB4C6 |
-26.44 |
2.03 |
-9.54 |
0.24 |
0 |
|
|
407826 |
135080581 |
2 |
OC7H13 |
AB7C13 |
-121.18 |
0.37 |
-9.54 |
1.37 |
0 |
|
|
407828 |
135080583 |
1 |
OF3C13H21 |
AB3C13D21 |
-226.99 |
4.04 |
-9.83 |
0.29 |
0 |
|
|
407829 |
135080584 |
1 |
OF3C11H11 |
AB3C11D11 |
-169.11 |
3.85 |
-9.83 |
-0.09 |
0 |
|
|
407830 |
135080585 |
1 |
O2N3H9C11 |
A2B3C9D11 |
51.55 |
4.72 |
-9.17 |
-1.48 |
0 |
|
|
407831 |
135080586 |
2 |
OC7H9 |
AB7C9 |
-57.3 |
2.86 |
-8.3 |
0.26 |
0 |
|
|
407832 |
135080587 |
1 |
FO5C12H19 |
AB5C12D19 |
-300.06 |
1.41 |
-10.19 |
1.03 |
0 |
|
|
407833 |
135080588 |
1 |
O2C11H18 |
A2B11C18 |
-100.74 |
3.67 |
-9.87 |
-0.17 |
0 |
|
|
407834 |
135080589 |
1 |
O2C7H10 |
A2B7C10 |
-86.87 |
0.87 |
-10.03 |
-0.28 |
0 |
|
|
407835 |
135080590 |
1 |
BrClOC5H8 |
ABCD5E8 |
-50.04 |
1.81 |
-10.65 |
-0.65 |
0 |
|
|
407836 |
135080591 |
1 |
N2C13H20 |
A2B13C20 |
18.08 |
2.13 |
-8.59 |
0.97 |
0 |
|
|
407837 |
135080592 |
2 |
NOH6C7 |
ABC6D7 |
23.59 |
4.12 |
-8.76 |
-0.34 |
0 |
|
|
407838 |
135080593 |
1 |
NOC12H25 |
ABC12D25 |
-93.18 |
2.81 |
-8.49 |
2.9 |
0 |
|
|
407839 |
135080594 |
1 |
ON3H5C11 |
AB3C5D11 |
124.16 |
2.93 |
-10.65 |
-1.46 |
0 |
|
|
407840 |
135080595 |
1 |
OSN4C8H8 |
ABC4D8E8 |
103.27 |
5.37 |
-9.35 |
-1.02 |
0 |
|
|
407841 |
135080596 |
1 |
ON3C10H11 |
AB3C10D11 |
59.96 |
4.7 |
-9.63 |
-0.29 |
0 |
|
|
407842 |
135080597 |
1 |
OSN2H10C13 |
ABC2D10E13 |
71.28 |
0.36 |
-8.81 |
-1.35 |
0 |
|
|
407843 |
135080598 |
1 |
OSeC13H16 |
ABC13D16 |
-3.58 |
1.73 |
-8.36 |
-0.16 |
0 |
|
|
407844 |
135080599 |
1 |
NO2C13H19 |
AB2C13D19 |
-50.45 |
2.43 |
-9.15 |
0.34 |
0 |
|
|
407845 |
135080600 |
1 |
NSO2C9H13 |
ABC2D9E13 |
-62.83 |
4.35 |
-8.62 |
0.28 |
0 |
|
|
407846 |
135080601 |
1 |
BO2C12H25 |
AB2C12D25 |
-210.74 |
2.43 |
-10.27 |
1.79 |
0 |
|
|
407847 |
135080602 |
1 |
ON2H10C12 |
AB2C10D12 |
58.39 |
2.6 |
-8.22 |
-0.81 |
0 |
|
|
407848 |
135080603 |
1 |
Cl2O3C12H12 |
A2B3C12D12 |
-124.59 |
2.02 |
-9.49 |
-0.52 |
0 |
|
|
407849 |
135080604 |
1 |
OC14H16 |
AB14C16 |
-3.53 |
3.24 |
-9.13 |
0.15 |
0 |
|
|
407850 |
135080605 |
1 |
O2C13H14 |
A2B13C14 |
-59.78 |
4.79 |
-9.53 |
0.05 |
0 |
|
|
407851 |
135080606 |
1 |
OC16H24 |
AB16C24 |
-45.36 |
2.4 |
-9.28 |
0.45 |
0 |
|
|
407852 |
135080607 |
1 |
N2Cl3H5C8 |
A2B3C5D8 |
33.28 |
5.99 |
-8.88 |
-0.92 |
0 |
|
|
407853 |
135080608 |
1 |
O2N3H11C12 |
A2B3C11D12 |
-3.32 |
4.83 |
-9.3 |
-1.21 |
0 |
|
|
407854 |
135080609 |
2 |
NC7H10 |
AB7C10 |
7.6 |
1.85 |
-8.64 |
-0.07 |
0 |
|
|
407855 |
135080610 |
1 |
OSiC8H14 |
ABC8D14 |
-67.02 |
1.29 |
-9.56 |
1.0 |
0 |
|
|
407856 |
135080611 |
1 |
NO2Si3C10H27 |
AB2C3D10E27 |
-282.35 |
1.61 |
-9.27 |
0.89 |
0 |
|
|
407857 |
135080612 |
1 |
OC10H16 |
AB10C16 |
-43.01 |
2.1 |
-9.26 |
1.16 |
0 |
|
|
407858 |
135080613 |
1 |
N2C15H16 |
A2B15C16 |
79.2 |
2.3 |
-8.71 |
-0.21 |
0 |
|
|
407859 |
135080614 |
1 |
SiC16H30 |
AB16C30 |
-18.99 |
0.86 |
-8.91 |
1.04 |
0 |
|
|
407860 |
135080615 |
1 |
SeSiC12H20 |
ABC12D20 |
-49.03 |
1.65 |
-8.32 |
-0.1 |
0 |
|
|
407861 |
135080616 |
1 |
BrFNO2H3C6 |
ABCD2E3F6 |
-56.03 |
5.4 |
-11.61 |
-1.7 |
0 |
|
|
407862 |
135080617 |
1 |
OF2C10H10 |
AB2C10D10 |
-109.97 |
1.79 |
-9.8 |
-0.28 |
0 |
|
|
407863 |
135080618 |
1 |
ClFNO2C9H11 |
ABCD2E9F11 |
-109.53 |
4.19 |
-11.17 |
-0.13 |
0 |
|
|
407865 |
135080620 |
1 |
BrClOC11H14 |
ABCD11E14 |
-50.64 |
3.11 |
-9.65 |
-0.41 |
0 |
|
|
407866 |
135080621 |
1 |
ClN3C10H10 |
AB3C10D10 |
70.83 |
4.43 |
-9.7 |
-0.42 |
0 |
|
|
407867 |
135080622 |
1 |
OSiN2F3C9H13 |
ABC2D3E9F13 |
-201.87 |
3.68 |
-10.06 |
-0.31 |
0 |
|
|
407868 |
135080623 |
1 |
ON2C13H18 |
AB2C13D18 |
-12.49 |
3.56 |
-9.0 |
0.48 |
0 |
|
|
407869 |
135080624 |
1 |
O2C9H16 |
A2B9C16 |
-101.57 |
4.75 |
-10.72 |
0.69 |
0 |
|
|
407870 |
135080625 |
1 |
NO2C10H19 |
AB2C10D19 |
-86.74 |
1.81 |
-9.02 |
1.13 |
0 |
|
|
407871 |
135080626 |
1 |
ON2C11H22 |
AB2C11D22 |
-53.37 |
5.27 |
-9.29 |
0.74 |
0 |
|
|
407872 |
135080627 |
1 |
NOC11H15 |
ABC11D15 |
-3.06 |
4.02 |
-9.93 |
0.28 |
0 |
|
|
407873 |
135080628 |
1 |
NO2C12H17 |
AB2C12D17 |
-70.99 |
5.75 |
-9.14 |
-0.28 |
-2 |
|
|
407874 |
135080629 |
2 |
O2C4H5 |
A2B4C5 |
-152.9 |
1.15 |
-10.8 |
0.3 |
-2 |
|
|
407875 |
135080630 |
1 |
PC6H9O9 |
AB6C9D9 |
-348.18 |
5.24 |
-10.83 |
-1.57 |
0 |
|
|
407876 |
135080631 |
1 |
PC6O9H11 |
AB6C9D11 |
-463.57 |
3.31 |
-10.81 |
-0.26 |
0 |