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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
338672 |
127259683 |
1 |
N2O3H14C19 |
A2B3C14D19 |
-36.99 |
7.62 |
-9.31 |
-0.88 |
0 |
|
|
338673 |
127259684 |
1 |
N4O4C17H20 |
A4B4C17D20 |
2.78 |
4.31 |
-9.59 |
-1.56 |
0 |
|
|
338674 |
127259685 |
1 |
NO2C20H21 |
AB2C20D21 |
-24.52 |
6.53 |
-9.62 |
-0.52 |
0 |
|
|
338675 |
127259686 |
1 |
N4O4C15H16 |
A4B4C15D16 |
12.49 |
4.13 |
-9.58 |
-1.56 |
0 |
|
|
338676 |
127259687 |
1 |
N2O3H12C14 |
A2B3C12D14 |
-22.27 |
6.68 |
-8.78 |
-1.44 |
0 |
|
|
338677 |
127259688 |
1 |
SCl2N3O3H5C10 |
AB2C3D3E5F10 |
14.93 |
3.24 |
-9.66 |
-2.1 |
0 |
|
|
338678 |
127259689 |
1 |
OCl2N2C10H10 |
AB2C2D10E10 |
-32.51 |
3.52 |
-9.04 |
-0.82 |
0 |
|
|
338679 |
127259690 |
1 |
BrSO2N3C20H24 |
ABC2D3E20F24 |
-43.16 |
7.34 |
-8.79 |
-0.22 |
0 |
|
|
338680 |
127259691 |
1 |
BrO2N3C22H26 |
AB2C3D22E26 |
-49.32 |
6.88 |
-8.74 |
-0.2 |
0 |
|
|
338681 |
127259692 |
1 |
ClSO2N3C20H24 |
ABC2D3E20F24 |
-45.17 |
8.28 |
-8.59 |
-0.31 |
0 |
|
|
338682 |
127259693 |
1 |
N2O2H14C15 |
A2B2C14D15 |
-36.35 |
3.57 |
-8.32 |
-0.77 |
0 |
|
|
338683 |
127259694 |
1 |
NO3H13C15 |
AB3C13D15 |
-78.59 |
1.52 |
-8.68 |
-0.95 |
0 |
|
|
338684 |
127259695 |
1 |
SO3N4H28C30 |
AB3C4D28E30 |
-16.95 |
6.7 |
-8.81 |
-0.71 |
0 |
|
|
338685 |
127259696 |
1 |
ON2H14C16 |
AB2C14D16 |
27.21 |
6.76 |
-8.95 |
-0.61 |
0 |
|
|
338686 |
127259697 |
1 |
N3H21C22 |
A3B21C22 |
89.1 |
4.45 |
-8.01 |
-0.22 |
0 |
|
|
338687 |
127259698 |
1 |
NCl2C17H23 |
AB2C17D23 |
2.36 |
3.17 |
-8.51 |
-0.25 |
0 |
|
|
338688 |
127259699 |
1 |
NCl2C16H21 |
AB2C16D21 |
-3.14 |
3.4 |
-8.58 |
-0.22 |
0 |
|
|
338689 |
127259700 |
1 |
N2C15H18 |
A2B15C18 |
62.22 |
4.48 |
-8.35 |
-0.44 |
0 |
|
|
338690 |
127259701 |
1 |
NC17H19 |
AB17C19 |
41.88 |
1.49 |
-8.11 |
0.13 |
0 |
|
|
338691 |
127259702 |
1 |
PN2H19C23 |
AB2C19D23 |
128.54 |
2.39 |
-8.38 |
-0.92 |
0 |
|
|
338692 |
127259703 |
1 |
NOH15C18 |
ABC15D18 |
48.63 |
1.67 |
-8.18 |
-0.64 |
0 |
|
|
338693 |
127259704 |
1 |
ClO2N5H6C9 |
AB2C5D6E9 |
114.0 |
9.56 |
-9.99 |
-2.48 |
0 |
|
|
338694 |
127259705 |
1 |
ON2H18C22 |
AB2C18D22 |
88.53 |
4.77 |
-8.37 |
-0.72 |
0 |
|
|
338695 |
127259706 |
1 |
NPO4C7H10 |
ABC4D7E10 |
-212.45 |
3.4 |
-8.61 |
-0.05 |
0 |
|
|
338696 |
127259707 |
1 |
NSO4C7H9 |
ABC4D7E9 |
-133.29 |
3.47 |
-8.59 |
-1.02 |
0 |
|
|
338697 |
127259708 |
1 |
NO3C18H19 |
AB3C18D19 |
-29.07 |
1.2 |
-8.54 |
-0.68 |
0 |
|
|
338698 |
127259709 |
1 |
Cl2N3H9C11 |
A2B3C9D11 |
67.78 |
3.33 |
-9.03 |
-1.53 |
0 |
|
|
338699 |
127259710 |
1 |
N2C13H14 |
A2B13C14 |
60.65 |
3.51 |
-8.24 |
-0.85 |
0 |
|
|
338700 |
127259711 |
1 |
NOC16H17 |
ABC16D17 |
17.0 |
2.7 |
-8.48 |
-0.09 |
0 |
|
|
338701 |
127259712 |
2 |
NOH9C10 |
ABC9D10 |
15.24 |
1.27 |
-8.3 |
-0.07 |
0 |
|
|
338702 |
127259713 |
1 |
ON4H20C23 |
AB4C20D23 |
72.72 |
3.23 |
-7.83 |
-0.54 |
0 |
|
|
338703 |
127259714 |
1 |
NF3H8C9 |
AB3C8D9 |
-130.96 |
6.1 |
-8.73 |
-0.59 |
0 |
|
|
338704 |
127259715 |
1 |
NOH11C12 |
ABC11D12 |
24.84 |
2.61 |
-8.2 |
-0.39 |
0 |
|
|
338705 |
127259716 |
1 |
NSF3H16C20 |
ABC3D16E20 |
-94.41 |
4.81 |
-8.6 |
-0.66 |
0 |
|
|
338706 |
127259717 |
1 |
NO2H21C27 |
AB2C21D27 |
51.84 |
0.72 |
-8.02 |
-0.57 |
0 |
|
|
338707 |
127259718 |
1 |
N2F3H13C15 |
A2B3C13D15 |
-105.98 |
2.17 |
-8.31 |
-0.4 |
0 |
|
|
338708 |
127259719 |
1 |
BrNC30H44 |
ABC30D44 |
-8.72 |
5.81 |
-7.78 |
-0.35 |
0 |
|
|
338709 |
127259720 |
1 |
ClNH14C15 |
ABC14D15 |
48.11 |
4.55 |
-8.18 |
-0.42 |
0 |
|
|
338710 |
127259721 |
1 |
NH27C30 |
AB27C30 |
111.24 |
1.47 |
-7.73 |
-0.36 |
0 |
|
|
338711 |
127259722 |
1 |
NOC20H25 |
ABC20D25 |
-0.2 |
1.67 |
-7.7 |
-0.01 |
0 |
|
|
338712 |
127259723 |
1 |
NOC23H23 |
ABC23D23 |
41.5 |
2.52 |
-7.96 |
-0.2 |
0 |
|
|
338713 |
127259724 |
1 |
NOH27C33 |
ABC27D33 |
100.24 |
2.51 |
-7.96 |
-0.15 |
0 |
|
|
338714 |
127259725 |
1 |
ClNH20C24 |
ABC20D24 |
86.87 |
4.17 |
-8.14 |
-0.83 |
0 |
|
|
338715 |
127259726 |
1 |
NH29C36 |
AB29C36 |
134.76 |
1.91 |
-7.81 |
-0.88 |
0 |
|
|
338716 |
127259727 |
1 |
NC27H27 |
AB27C27 |
74.57 |
3.67 |
-7.85 |
-0.77 |
0 |
|
|
338717 |
127259728 |
1 |
SN3H15C17 |
AB3C15D17 |
90.91 |
3.62 |
-8.14 |
-0.74 |
0 |
|
|
338718 |
127259729 |
2 |
NH17C18 |
AB17C18 |
121.2 |
2.73 |
-7.74 |
-0.1 |
0 |
|
|
338719 |
127259730 |
1 |
BrN2C17H17 |
AB2C17D17 |
86.78 |
6.21 |
-8.18 |
-0.8 |
0 |
|
|
338720 |
127259731 |
1 |
NPO4C8H12 |
ABC4D8E12 |
-220.86 |
5.17 |
-8.47 |
0.08 |
0 |
|
|
338721 |
127259732 |
1 |
NPO4C7H10 |
ABC4D7E10 |
-211.72 |
5.88 |
-8.64 |
-0.14 |
0 |
|
|
338722 |
127259733 |
1 |
NSH25C28 |
ABC25D28 |
102.21 |
3.72 |
-8.02 |
-0.27 |
0 |
|
|
338723 |
127259734 |
1 |
NOC24H33 |
ABC24D33 |
-16.93 |
3.79 |
-8.02 |
0.06 |
0 |
|
|
338724 |
127259735 |
1 |
NC20H23 |
AB20C23 |
68.72 |
1.86 |
-7.92 |
0.28 |
0 |
|
|
338725 |
127259736 |
2 |
NOC6H7 |
ABC6D7 |
41.34 |
10.47 |
-8.42 |
-1.39 |
0 |
|
|
338726 |
127259737 |
1 |
ON2H14C19 |
AB2C14D19 |
64.8 |
2.61 |
-8.22 |
-0.81 |
0 |
|
|
338727 |
127259738 |
1 |
NOC18H27 |
ABC18D27 |
-28.36 |
1.61 |
-7.71 |
0.38 |
0 |
|
|
338728 |
127259739 |
1 |
NOC19H21 |
ABC19D21 |
41.45 |
2.26 |
-8.25 |
0.25 |
0 |
|
|
338729 |
127259740 |
1 |
ClN2H15C17 |
AB2C15D17 |
78.47 |
5.61 |
-8.12 |
-1.22 |
0 |
|
|
338730 |
127259741 |
1 |
NS2H17C23 |
AB2C17D23 |
131.87 |
3.65 |
-8.44 |
-0.58 |
0 |
|
|
338731 |
127259742 |
1 |
N2H22C23 |
A2B22C23 |
86.21 |
0.97 |
-7.75 |
-0.17 |
0 |
|
|
338732 |
127259743 |
2 |
NOC18H28 |
ABC18D28 |
-54.75 |
10.21 |
-8.36 |
-1.32 |
0 |
|
|
338733 |
127259744 |
2 |
NC16H25 |
AB16C25 |
-15.75 |
6.2 |
-8.1 |
-0.43 |
0 |
|
|
338734 |
127259745 |
2 |
NC11H15 |
AB11C15 |
32.54 |
6.04 |
-8.08 |
-0.46 |
0 |
|
|
338735 |
127259746 |
1 |
NC16H17 |
AB16C17 |
39.17 |
1.32 |
-8.33 |
0.28 |
0 |
|
|
338736 |
127259747 |
1 |
N3O3C8H9 |
A3B3C8D9 |
-25.52 |
2.95 |
-10.01 |
-1.61 |
0 |
|
|
338737 |
127259748 |
1 |
NSO2C12H13 |
ABC2D12E13 |
-56.93 |
6.72 |
-9.02 |
-0.34 |
0 |
|
|
338738 |
127259749 |
1 |
NOC19H21 |
ABC19D21 |
-5.28 |
4.58 |
-8.69 |
-0.06 |
0 |
|
|
338739 |
127259750 |
1 |
ON3C16H17 |
AB3C16D17 |
33.14 |
4.26 |
-8.52 |
-0.05 |
0 |
|
|
338740 |
127259751 |
1 |
BrO3C18H19 |
AB3C18D19 |
-90.67 |
3.02 |
-9.06 |
-0.23 |
0 |
|
|
338741 |
127259752 |
1 |
NO3C17H17 |
AB3C17D17 |
-84.96 |
2.03 |
-9.64 |
-0.46 |
0 |
|
|
338742 |
127259753 |
4 |
OC3H4 |
AB3C4 |
-157.48 |
2.21 |
-9.72 |
-0.02 |
0 |
|
|
338743 |
127259754 |
1 |
Cl2N2O2H14C19 |
A2B2C2D14E19 |
-10.01 |
2.27 |
-8.68 |
-0.56 |
0 |
|
|
338744 |
127259755 |
1 |
SO4C14H18 |
AB4C14D18 |
-169.84 |
1.5 |
-8.97 |
-0.02 |
0 |
|
|
338745 |
127259756 |
1 |
NCl2O3H19C23 |
AB2C3D19E23 |
-70.23 |
6.07 |
-9.54 |
-0.82 |
0 |
|
|
338746 |
127259757 |
1 |
ClNO3C12H12 |
ABC3D12E12 |
-121.91 |
4.21 |
-9.9 |
-0.36 |
0 |
|
|
338747 |
127259758 |
1 |
ClO2C14H19 |
AB2C14D19 |
-104.75 |
3.51 |
-9.63 |
0.07 |
0 |
|
|
338748 |
127259759 |
1 |
O5C19H22 |
A5B19C22 |
-160.88 |
1.73 |
-8.33 |
0.09 |
0 |
|
|
338749 |
127259760 |
1 |
O3C17H22 |
A3B17C22 |
-113.57 |
3.47 |
-9.5 |
0.23 |
0 |
|
|
338750 |
127259761 |
1 |
O2F3C13H15 |
A2B3C13D15 |
-249.44 |
4.02 |
-9.71 |
-0.01 |
0 |
|
|
338751 |
127259762 |
1 |
O2F3C17H23 |
A2B3C17D23 |
-268.88 |
4.2 |
-9.65 |
0.08 |
0 |
|
|
338752 |
127259763 |
1 |
N2O3H18C20 |
A2B3C18D20 |
-66.39 |
2.97 |
-8.78 |
-0.73 |
0 |
|
|
338753 |
127259764 |
1 |
N3O4C15H19 |
A3B4C15D19 |
-149.09 |
6.71 |
-9.5 |
0.07 |
0 |
|
|
338754 |
127259765 |
1 |
NO2C12H17 |
AB2C12D17 |
-84.8 |
2.89 |
-9.39 |
0.16 |
0 |
|
|
338755 |
127259766 |
1 |
NO3C21H31 |
AB3C21D31 |
-149.7 |
2.1 |
-8.57 |
-0.06 |
0 |
|
|
338756 |
127259767 |
1 |
ClNO3C21H32 |
ABC3D21E32 |
-183.69 |
3.12 |
-8.87 |
-0.02 |
0 |
|
|
338757 |
127259768 |
1 |
NO3C21H31 |
AB3C21D31 |
-148.27 |
4.85 |
-8.62 |
0.09 |
0 |
|
|
338758 |
127259769 |
1 |
NO4C12H15 |
AB4C12D15 |
-171.43 |
5.62 |
-9.77 |
-0.07 |
0 |
|
|
338759 |
127259770 |
1 |
NO2C14H21 |
AB2C14D21 |
-95.74 |
2.37 |
-9.39 |
0.15 |
0 |
|
|
338760 |
127259771 |
1 |
NO3C18H29 |
AB3C18D29 |
-139.46 |
3.97 |
-8.58 |
0.06 |
0 |
|
|
338761 |
127259772 |
1 |
O3C11H12 |
A3B11C12 |
-83.26 |
3.75 |
-8.9 |
0.02 |
0 |
|
|
338762 |
127259773 |
1 |
O2H16C17 |
A2B16C17 |
-33.6 |
2.66 |
-9.11 |
0.04 |
0 |
|
|
338763 |
127259774 |
1 |
SO4H14C15 |
AB4C14D15 |
-113.75 |
4.11 |
-9.46 |
-0.6 |
0 |
|
|
338764 |
127259775 |
1 |
Cl2O3H10C15 |
A2B3C10D15 |
-81.53 |
4.37 |
-9.48 |
-0.87 |
0 |
|
|
338765 |
127259776 |
1 |
BrO4H15C18 |
AB4C15D18 |
-93.46 |
2.4 |
-8.78 |
-0.36 |
0 |
|
|
338766 |
127259777 |
1 |
ClO4H15C18 |
AB4C15D18 |
-106.53 |
2.21 |
-8.72 |
-0.31 |
0 |
|
|
338767 |
127259778 |
1 |
BrO4H9C10 |
AB4C9D10 |
-139.41 |
5.07 |
-10.19 |
-1.29 |
0 |
|
|
338768 |
127259779 |
1 |
NO3C12H15 |
AB3C12D15 |
-118.47 |
3.67 |
-9.84 |
-0.16 |
0 |
|
|
338769 |
127259780 |
1 |
NO2C18H21 |
AB2C18D21 |
-50.26 |
3.01 |
-8.3 |
0.14 |
0 |
|
|
338770 |
127259781 |
1 |
NSO4C23H23 |
ABC4D23E23 |
-111.78 |
5.71 |
-8.93 |
-0.45 |
0 |
|
|
338771 |
127259782 |
1 |
NO2C18H21 |
AB2C18D21 |
-50.97 |
3.06 |
-9.32 |
0.23 |
0 |