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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
23668 |
605357 |
1 |
ClN2H7C10 |
AB2C7D10 |
105.62 |
4.13 |
-9.15 |
-0.46 |
0 |
|
|
23669 |
605358 |
1 |
NO4C23H27 |
AB4C23D27 |
-145.86 |
2.61 |
-9.22 |
0.04 |
0 |
|
|
23670 |
605359 |
1 |
OSN2C10H10 |
ABC2D10E10 |
58.69 |
2.34 |
-9.03 |
-1.23 |
0 |
|
|
23671 |
605360 |
2 |
NOC5H5 |
ABC5D5 |
-19.05 |
7.9 |
-9.08 |
-0.84 |
0 |
|
|
23672 |
605362 |
2 |
NOC5H5 |
ABC5D5 |
-44.04 |
2.73 |
-8.26 |
-0.28 |
0 |
|
|
23673 |
605364 |
1 |
N2O3H6C9 |
A2B3C6D9 |
10.01 |
6.83 |
-10.32 |
-1.34 |
0 |
|
|
23674 |
605365 |
2 |
O2H5C6 |
A2B5C6 |
-99.55 |
5.58 |
-9.35 |
-1.57 |
0 |
|
|
23675 |
605366 |
2 |
NOC5H5 |
ABC5D5 |
-25.81 |
4.58 |
-8.77 |
-0.64 |
0 |
|
|
23676 |
605367 |
2 |
O2H3C5 |
A2B3C5 |
-61.54 |
0.02 |
-9.54 |
-1.62 |
0 |
|
|
23677 |
605369 |
1 |
F3O3N5H12C16 |
A3B3C5D12E16 |
-148.07 |
7.05 |
-9.48 |
-1.29 |
0 |
|
|
23678 |
605370 |
1 |
SN2C15H16 |
AB2C15D16 |
83.26 |
1.73 |
-8.59 |
-0.34 |
0 |
|
|
23679 |
605374 |
2 |
NOC5H5 |
ABC5D5 |
23.58 |
7.67 |
-8.82 |
-1.39 |
0 |
|
|
23680 |
605376 |
1 |
O2N3C10H11 |
A2B3C10D11 |
33.63 |
11.09 |
-9.39 |
-1.38 |
0 |
|
|
23682 |
605378 |
2 |
O2H3C5 |
A2B3C5 |
-116.57 |
3.2 |
-9.96 |
-1.92 |
0 |
|
|
23683 |
605379 |
2 |
NOC5H5 |
ABC5D5 |
18.93 |
6.59 |
-9.07 |
-1.0 |
0 |
|
|
23684 |
605381 |
1 |
N3O4C21H21 |
A3B4C21D21 |
-58.82 |
5.06 |
-9.27 |
-0.58 |
0 |
|
|
23685 |
605382 |
1 |
ClN2O3H15C17 |
AB2C3D15E17 |
-88.97 |
6.56 |
-9.39 |
-1.08 |
0 |
|
|
23686 |
605384 |
1 |
ON5C21H25 |
AB5C21D25 |
64.75 |
5.53 |
-8.44 |
-0.29 |
0 |
|
|
23687 |
605387 |
1 |
NCl2O3H15C17 |
AB2C3D15E17 |
-86.75 |
3.71 |
-9.41 |
-0.85 |
0 |
|
|
23688 |
605390 |
2 |
OC6H7 |
AB6C7 |
-88.32 |
4.6 |
-9.04 |
0.04 |
0 |
|
|
23689 |
605391 |
1 |
NOC15H23 |
ABC15D23 |
-38.63 |
7.21 |
-8.2 |
-0.08 |
0 |
|
|
23690 |
605392 |
1 |
OSN2C10H10 |
ABC2D10E10 |
46.55 |
2.34 |
-8.7 |
-0.58 |
0 |
|
|
23691 |
605401 |
1 |
ClN2S2H3C5 |
AB2C2D3E5 |
74.06 |
3.53 |
-9.05 |
-1.45 |
0 |
|
|
23692 |
605402 |
1 |
ClOSN2C6H7 |
ABCD2E6F7 |
-29.16 |
5.32 |
-9.28 |
-1.1 |
0 |
|
|
23693 |
605403 |
1 |
SN2C10H10 |
AB2C10D10 |
42.96 |
1.19 |
-8.33 |
-0.61 |
0 |
|
|
23694 |
605404 |
1 |
O3H10C11 |
A3B10C11 |
-84.39 |
4.77 |
-8.93 |
-0.69 |
0 |
|
|
23695 |
605405 |
1 |
OC13H18 |
AB13C18 |
-42.81 |
0.73 |
-8.68 |
0.79 |
0 |
|
|
23696 |
605408 |
1 |
ON4C9H10 |
AB4C9D10 |
22.65 |
1.27 |
-8.87 |
0.04 |
0 |
|
|
23697 |
605409 |
2 |
NOC5H5 |
ABC5D5 |
33.22 |
2.02 |
-8.7 |
-1.06 |
0 |
|
|
23698 |
605412 |
2 |
OC6H7 |
AB6C7 |
-49.22 |
3.61 |
-8.97 |
-0.22 |
0 |
|
|
23699 |
605414 |
1 |
ON4C9H10 |
AB4C9D10 |
28.5 |
1.83 |
-9.18 |
-1.11 |
0 |
|
|
23700 |
605424 |
1 |
SN2C10H10 |
AB2C10D10 |
51.75 |
5.51 |
-8.58 |
-0.3 |
0 |
|
|
23701 |
605425 |
2 |
OC6H7 |
AB6C7 |
-46.93 |
1.62 |
-7.96 |
0.08 |
0 |
|
|
23702 |
605430 |
2 |
NC8H13 |
AB8C13 |
-12.21 |
0.83 |
-9.09 |
-0.02 |
0 |
|
|
23703 |
605432 |
1 |
NO3C21H27 |
AB3C21D27 |
-81.56 |
3.78 |
-8.01 |
0.32 |
0 |
|
|
23704 |
605437 |
1 |
N2O3H6C9 |
A2B3C6D9 |
-54.03 |
7.29 |
-9.05 |
-0.96 |
0 |
|
|
23705 |
605438 |
1 |
N2O3H6C9 |
A2B3C6D9 |
43.01 |
5.88 |
-10.34 |
-1.76 |
0 |
|
|
23706 |
605440 |
1 |
OSH10C11 |
ABC10D11 |
2.13 |
0.77 |
-8.93 |
-0.07 |
0 |
|
|
23707 |
605442 |
2 |
NC6H9 |
AB6C9 |
9.32 |
2.66 |
-7.78 |
0.42 |
0 |
|
|
23708 |
605446 |
1 |
N2O2C17H18 |
A2B2C17D18 |
-32.63 |
5.93 |
-8.32 |
-0.3 |
0 |
|
|
23709 |
605447 |
1 |
ON2C11H14 |
AB2C11D14 |
3.4 |
5.7 |
-8.63 |
-0.38 |
0 |
|
|
23710 |
605448 |
1 |
SN4H6C8 |
AB4C6D8 |
123.82 |
6.14 |
-8.55 |
-2.05 |
0 |
|
|
23711 |
605457 |
2 |
SH3C5 |
AB3C5 |
61.58 |
0.59 |
-8.42 |
-0.91 |
0 |
|
|
23712 |
605467 |
1 |
NO2C12H15 |
AB2C12D15 |
-62.36 |
6.47 |
-8.53 |
-0.18 |
0 |
|
|
23713 |
605475 |
1 |
FBr2O2H5C8 |
AB2C2D5E8 |
-95.6 |
1.69 |
-9.79 |
-1.13 |
0 |
|
|
23714 |
605512 |
2 |
NO3H5C6 |
AB3C5D6 |
-168.99 |
12.64 |
-9.63 |
-2.0 |
0 |
|
|
23715 |
605513 |
1 |
O2F3N3C8H8 |
A2B3C3D8E8 |
-209.97 |
5.02 |
-9.87 |
-0.13 |
0 |
|
|
23716 |
605514 |
1 |
NOCl3C13H16 |
ABC3D13E16 |
-82.29 |
7.47 |
-8.87 |
-0.13 |
0 |
|
|
23717 |
605515 |
1 |
N4O4C21H24 |
A4B4C21D24 |
-64.45 |
4.12 |
-9.72 |
-1.23 |
0 |
|
|
23718 |
605517 |
1 |
N2O3C19H26 |
A2B3C19D26 |
-129.77 |
1.75 |
-9.49 |
-0.12 |
0 |
|
|
23719 |
605518 |
1 |
NO4C12H15 |
AB4C12D15 |
-60.57 |
7.66 |
-8.68 |
-1.01 |
0 |
|
|
23720 |
605523 |
1 |
ON2C25H32 |
AB2C25D32 |
-26.65 |
3.26 |
-8.16 |
0.16 |
0 |
|
|
23721 |
605526 |
1 |
NSO3H11C13 |
ABC3D11E13 |
-73.47 |
4.66 |
-9.21 |
-1.21 |
0 |
|
|
23722 |
605528 |
1 |
NO4C14H17 |
AB4C14D17 |
-151.67 |
4.37 |
-8.3 |
-0.15 |
0 |
|
|
23723 |
605531 |
1 |
N5C15H17 |
A5B15C17 |
83.6 |
4.29 |
-8.33 |
-0.01 |
0 |
|
|
23724 |
605534 |
2 |
O3C17H26 |
A3B17C26 |
-333.11 |
2.79 |
-9.27 |
0.88 |
0 |
|
|
23725 |
605535 |
1 |
NO3C16H21 |
AB3C16D21 |
-111.2 |
4.16 |
-8.17 |
0.2 |
0 |
|
|
23726 |
605540 |
1 |
O3C21H22 |
A3B21C22 |
-62.16 |
5.67 |
-8.25 |
-0.09 |
0 |
|
|
23727 |
605567 |
1 |
NO3C20H25 |
AB3C20D25 |
-96.11 |
5.26 |
-9.62 |
-1.92 |
0 |
|
|
23728 |
605570 |
2 |
OC13H18 |
AB13C18 |
-99.02 |
3.47 |
-9.15 |
0.24 |
0 |
|
|
23729 |
605590 |
1 |
ClN5C9H14 |
AB5C9D14 |
23.41 |
3.62 |
-9.22 |
-0.36 |
0 |
|
|
23730 |
605666 |
1 |
O3C14H18 |
A3B14C18 |
-70.42 |
4.8 |
-8.45 |
-0.15 |
0 |
|
|
23731 |
605680 |
1 |
ClOH3F4C8 |
ABC3D4E8 |
-224.76 |
4.18 |
-10.97 |
-1.74 |
0 |
|
|
23732 |
605689 |
1 |
NOF4H5C8 |
ABC4D5E8 |
-224.15 |
2.38 |
-10.74 |
-1.53 |
0 |
|
|
23733 |
605714 |
1 |
BrClOSH2C5 |
ABCDE2F5 |
-9.84 |
4.68 |
-9.91 |
-1.53 |
0 |
|
|
23734 |
605724 |
1 |
ClO2H13C17 |
AB2C13D17 |
-40.68 |
3.02 |
-8.91 |
-0.81 |
0 |
|
|
23735 |
605726 |
1 |
SN3C9H9 |
AB3C9D9 |
58.09 |
0.73 |
-9.14 |
-0.84 |
0 |
|
|
23736 |
605727 |
1 |
NO2C11H13 |
AB2C11D13 |
-50.22 |
1.05 |
-8.44 |
-0.27 |
0 |
|
|
23737 |
605735 |
1 |
O3C15H20 |
A3B15C20 |
-132.35 |
2.49 |
-9.66 |
-0.54 |
0 |
|
|
23738 |
605740 |
1 |
ON2S2C14H14 |
AB2C2D14E14 |
59.28 |
3.56 |
-9.64 |
-1.27 |
0 |
|
|
23739 |
605742 |
1 |
OC14H22 |
AB14C22 |
-68.19 |
0.46 |
-8.09 |
0.79 |
0 |
|
|
23740 |
605752 |
1 |
NH15C16 |
AB15C16 |
54.56 |
1.62 |
-8.68 |
-0.53 |
0 |
|
|
23741 |
605753 |
18 |
CH |
AB |
33.05 |
0.74 |
-8.56 |
-0.42 |
0 |
|
|
23742 |
605760 |
1 |
NCl2O3C10H11 |
AB2C3D10E11 |
-126.95 |
1.71 |
-9.47 |
-0.78 |
0 |
|
|
23743 |
605765 |
1 |
FNSCl2O3H10C13 |
ABCD2E3F10G13 |
-138.02 |
3.51 |
-9.27 |
-1.27 |
0 |
|
|
23744 |
605773 |
1 |
O5H22C25 |
A5B22C25 |
-113.26 |
2.77 |
-8.47 |
-0.62 |
0 |
|
|
23745 |
605786 |
1 |
OC16H16 |
AB16C16 |
-14.51 |
2.26 |
-9.48 |
0.0 |
0 |
|
|
23746 |
605809 |
1 |
N2O2C13H16 |
A2B2C13D16 |
-68.73 |
11.73 |
-9.25 |
-0.54 |
0 |
|
|
23747 |
605813 |
1 |
N3O3H17C22 |
A3B3C17D22 |
110.59 |
4.84 |
-8.85 |
-1.16 |
0 |
|
|
23748 |
605820 |
1 |
NOSiC14H21 |
ABCD14E21 |
-63.71 |
2.08 |
-7.98 |
0.23 |
0 |
|
|
23749 |
605821 |
1 |
FNPO3C10H15 |
ABCD3E10F15 |
-235.83 |
3.82 |
-8.9 |
0.09 |
0 |
|
|
23750 |
605885 |
1 |
BrNO3C14H18 |
ABC3D14E18 |
-115.44 |
4.75 |
-8.43 |
-0.49 |
0 |
|
|
23751 |
605889 |
1 |
NPSO3C14H26 |
ABCD3E14F26 |
-235.82 |
1.25 |
-9.18 |
-0.4 |
0 |
|
|
23752 |
605903 |
1 |
ClN2O2H15C22 |
AB2C2D15E22 |
47.71 |
4.97 |
-9.71 |
-0.65 |
0 |
|
|
23753 |
605910 |
1 |
N2F3O5C12H13 |
A2B3C5D12E13 |
-262.6 |
7.32 |
-9.2 |
-1.42 |
0 |
|
|
23754 |
605913 |
1 |
N2O4C17H22 |
A2B4C17D22 |
-186.6 |
8.27 |
-9.11 |
-0.09 |
0 |
|
|
23755 |
605914 |
1 |
Si2O3C16H28 |
A2B3C16D28 |
-242.71 |
2.85 |
-8.95 |
0.11 |
0 |
|
|
23756 |
605915 |
1 |
Si2O3C16H28 |
A2B3C16D28 |
-243.81 |
2.95 |
-9.07 |
0.24 |
0 |
|
|
23757 |
605920 |
1 |
SN4C15H22 |
AB4C15D22 |
62.46 |
6.61 |
-8.24 |
-0.77 |
0 |
|
|
23758 |
605974 |
1 |
OC13H20 |
AB13C20 |
-69.79 |
3.98 |
-9.47 |
0.76 |
0 |
|
|
23759 |
605975 |
2 |
O2H4C5 |
A2B4C5 |
-114.68 |
6.23 |
-9.09 |
-1.05 |
0 |
|
|
23760 |
605978 |
2 |
NOC5H6 |
ABC5D6 |
-7.84 |
6.9 |
-8.99 |
-0.86 |
0 |
|
|
23761 |
605979 |
1 |
N2S3C5H8 |
A2B3C5D8 |
40.87 |
2.23 |
-8.22 |
-0.65 |
0 |
|
|
23762 |
605983 |
1 |
O4C11H14 |
A4B11C14 |
-167.11 |
3.14 |
-10.14 |
-1.42 |
0 |
|
|
23763 |
605985 |
1 |
O3C11H12 |
A3B11C12 |
-57.47 |
7.69 |
-9.68 |
-0.97 |
0 |
|
|
23764 |
605987 |
1 |
SO2H8C10 |
AB2C8D10 |
-51.37 |
6.61 |
-9.1 |
-1.37 |
0 |
|
|
23765 |
605995 |
1 |
NO6H7C10 |
AB6C7D10 |
-121.59 |
3.39 |
-10.91 |
-2.23 |
0 |
|
|
23766 |
606004 |
1 |
O3C11H12 |
A3B11C12 |
-96.14 |
7.8 |
-9.03 |
-0.8 |
0 |
|
|
23767 |
606015 |
1 |
ClON5C15H16 |
ABC5D15E16 |
1.72 |
5.1 |
-9.1 |
-0.24 |
0 |
|
|
23768 |
606021 |
1 |
N3F6H11C17 |
A3B6C11D17 |
-190.81 |
6.02 |
-9.38 |
-0.88 |
0 |