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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
49085 |
11528694 |
1 |
ClON3C10H12 |
ABC3D10E12 |
14.23 |
2.66 |
-9.15 |
-0.76 |
0 |
|
|
49086 |
11528695 |
1 |
ClNOC12H16 |
ABCD12E16 |
-45.97 |
1.41 |
-9.05 |
-0.07 |
0 |
|
|
49087 |
11528696 |
1 |
ClNC13H20 |
ABC13D20 |
-15.81 |
2.37 |
-8.79 |
-0.06 |
0 |
|
|
49088 |
11528697 |
1 |
BrNOH8C9 |
ABCD8E9 |
12.31 |
5.61 |
-9.03 |
-0.79 |
0 |
|
|
49089 |
11528698 |
1 |
O5C11H14 |
A5B11C14 |
-219.67 |
5.69 |
-10.27 |
0.38 |
0 |
|
|
49090 |
11528699 |
2 |
O2C6H9 |
A2B6C9 |
-147.47 |
4.91 |
-9.96 |
-0.76 |
0 |
|
|
49091 |
11528700 |
1 |
SN2O4C7H18 |
AB2C4D7E18 |
-196.68 |
4.19 |
-9.35 |
-1.01 |
0 |
|
|
49092 |
11528701 |
1 |
N2C7H16 |
A2B7C16 |
-24.96 |
3.15 |
-9.1 |
3.15 |
0 |
|
|
49093 |
11528702 |
1 |
ClN2O3H7C9 |
AB2C3D7E9 |
-93.75 |
2.02 |
-9.6 |
-0.92 |
0 |
|
|
49094 |
11528703 |
1 |
NPO3C10H14 |
ABC3D10E14 |
-168.52 |
4.66 |
-9.23 |
0.38 |
0 |
|
|
49095 |
11528704 |
1 |
O2N3H9C12 |
A2B3C9D12 |
-16.7 |
5.57 |
-10.02 |
-0.82 |
0 |
|
|
49096 |
11528705 |
1 |
NO2H13C14 |
AB2C13D14 |
1.96 |
5.07 |
-8.74 |
-0.69 |
0 |
|
|
49097 |
11528707 |
1 |
ClNO2C11H14 |
ABC2D11E14 |
-58.23 |
1.61 |
-9.4 |
-0.11 |
0 |
|
|
49098 |
11528708 |
1 |
F2N2O3H6C9 |
A2B2C3D6E9 |
-176.74 |
1.62 |
-9.68 |
-1.22 |
0 |
|
|
49099 |
11528709 |
1 |
F2N2O3H6C9 |
A2B2C3D6E9 |
-173.6 |
2.23 |
-9.73 |
-1.12 |
0 |
|
|
49100 |
11528710 |
1 |
PO4C10H13 |
AB4C10D13 |
-192.29 |
4.73 |
-9.68 |
0.07 |
0 |
|
|
49101 |
11528711 |
1 |
OF3H11C12 |
AB3C11D12 |
-148.54 |
5.33 |
-9.82 |
-0.89 |
0 |
|
|
49102 |
11528712 |
1 |
ON4C12H12 |
AB4C12D12 |
23.54 |
5.59 |
-8.69 |
-0.23 |
0 |
|
|
49103 |
11528713 |
1 |
FN2H13C14 |
AB2C13D14 |
22.36 |
1.5 |
-8.13 |
-0.6 |
0 |
|
|
49104 |
11528715 |
1 |
N4C13H16 |
A4B13C16 |
116.27 |
2.9 |
-9.04 |
-0.1 |
0 |
|
|
49105 |
11528716 |
1 |
N2C15H20 |
A2B15C20 |
33.31 |
5.8 |
-8.23 |
0.34 |
0 |
|
|
49106 |
11528717 |
1 |
N2C15H20 |
A2B15C20 |
29.01 |
4.04 |
-8.77 |
-0.48 |
0 |
|
|
49107 |
11528718 |
2 |
OC7H14 |
AB7C14 |
-144.76 |
2.8 |
-9.6 |
2.11 |
0 |
|
|
49108 |
11528719 |
1 |
ClN2O3C9H9 |
AB2C3D9E9 |
-62.38 |
3.12 |
-9.79 |
-0.99 |
0 |
|
|
49109 |
11528720 |
1 |
ClN2O2C10H13 |
AB2C2D10E13 |
-79.67 |
2.56 |
-8.45 |
-0.06 |
0 |
|
|
49110 |
11528721 |
1 |
ClN2H9C13 |
AB2C9D13 |
84.78 |
5.46 |
-8.81 |
-0.92 |
0 |
|
|
49111 |
11528722 |
1 |
ClFN2C11H14 |
ABC2D11E14 |
-36.07 |
1.55 |
-9.12 |
-0.41 |
0 |
|
|
49112 |
11528723 |
1 |
NO2F3H6C10 |
AB2C3D6E10 |
-184.42 |
0.91 |
-9.86 |
-1.67 |
0 |
|
|
49113 |
11528724 |
1 |
N3O5C8H11 |
A3B5C8D11 |
-151.37 |
5.23 |
-9.68 |
-0.81 |
0 |
|
|
49114 |
11528725 |
1 |
N3H7C15 |
A3B7C15 |
175.83 |
2.63 |
-9.81 |
-1.63 |
0 |
|
|
49115 |
11528726 |
1 |
NPO2C11H20 |
ABC2D11E20 |
-143.04 |
4.28 |
-9.59 |
0.6 |
0 |
|
|
49116 |
11528727 |
1 |
NSO2C11H19 |
ABC2D11E19 |
-110.47 |
3.13 |
-8.99 |
0.11 |
0 |
|
|
49117 |
11528728 |
1 |
ClN3H8C12 |
AB3C8D12 |
99.85 |
4.87 |
-10.19 |
-1.63 |
0 |
|
|
49118 |
11528729 |
1 |
O4H10C13 |
A4B10C13 |
-72.76 |
9.04 |
-9.2 |
-1.36 |
0 |
|
|
49119 |
11528730 |
1 |
OF3C12H13 |
AB3C12D13 |
-181.42 |
4.84 |
-10.06 |
-0.57 |
0 |
|
|
49120 |
11528731 |
1 |
O5C11H18 |
A5B11C18 |
-228.33 |
1.32 |
-10.3 |
-0.46 |
0 |
|
|
49121 |
11528732 |
1 |
O5C11H18 |
A5B11C18 |
-234.84 |
2.12 |
-10.32 |
0.02 |
0 |
|
|
49122 |
11528734 |
1 |
O3C14H14 |
A3B14C14 |
-70.11 |
2.26 |
-9.27 |
-0.93 |
0 |
|
|
49123 |
11528735 |
1 |
O3C14H14 |
A3B14C14 |
-94.43 |
5.42 |
-9.96 |
-0.89 |
0 |
|
|
49124 |
11528736 |
1 |
N2O2C13H14 |
A2B2C13D14 |
-54.42 |
3.84 |
-9.01 |
-1.44 |
0 |
|
|
49125 |
11528737 |
1 |
N2O2C13H14 |
A2B2C13D14 |
9.76 |
7.54 |
-8.84 |
-1.04 |
0 |
|
|
49126 |
11528738 |
1 |
ON4C12H14 |
AB4C12D14 |
27.43 |
3.48 |
-8.71 |
-0.75 |
0 |
|
|
49127 |
11528739 |
2 |
O2C6H11 |
A2B6C11 |
-223.14 |
4.01 |
-10.04 |
0.75 |
0 |
|
|
49128 |
11528740 |
1 |
ON2C14H18 |
AB2C14D18 |
34.63 |
2.12 |
-8.06 |
-1.0 |
0 |
|
|
49129 |
11528741 |
1 |
OC16H22 |
AB16C22 |
2.89 |
6.99 |
-8.3 |
-0.71 |
0 |
|
|
49130 |
11528742 |
1 |
ClN2H11C13 |
AB2C11D13 |
98.28 |
2.49 |
-9.41 |
-0.59 |
0 |
|
|
49131 |
11528743 |
1 |
BrO3H7C8 |
AB3C7D8 |
-89.77 |
5.05 |
-9.63 |
-0.31 |
0 |
|
|
49132 |
11528745 |
1 |
NO3C13H13 |
AB3C13D13 |
-40.79 |
3.85 |
-8.76 |
-0.71 |
0 |
|
|
49133 |
11528746 |
1 |
NSF2O3C7H15 |
ABC2D3E7F15 |
-261.08 |
3.54 |
-9.86 |
-0.36 |
0 |
|
|
49134 |
11528747 |
1 |
NO2C14H17 |
AB2C14D17 |
-53.7 |
2.3 |
-9.46 |
0.08 |
0 |
|
|
49135 |
11528748 |
1 |
N3O3C10H21 |
A3B3C10D21 |
-166.24 |
3.35 |
-9.58 |
0.77 |
0 |
|
|
49136 |
11528749 |
1 |
ON3C13H17 |
AB3C13D17 |
-21.19 |
3.58 |
-9.03 |
-0.46 |
0 |
|
|
49137 |
11528751 |
1 |
ClNSO3H6C8 |
ABCD3E6F8 |
-70.02 |
7.42 |
-10.32 |
-1.54 |
0 |
|
|
49138 |
11528752 |
1 |
ClNO2C11H18 |
ABC2D11E18 |
-117.03 |
3.63 |
-8.87 |
-0.01 |
0 |
|
|
49139 |
11528753 |
1 |
O4H12C13 |
A4B12C13 |
-126.55 |
4.12 |
-8.92 |
-0.92 |
0 |
|
|
49140 |
11528754 |
1 |
OF3C12H15 |
AB3C12D15 |
-207.94 |
2.21 |
-9.4 |
0.33 |
0 |
|
|
49141 |
11528755 |
1 |
O3C14H16 |
A3B14C16 |
-89.93 |
5.79 |
-9.2 |
-0.59 |
0 |
|
|
49142 |
11528756 |
1 |
N2O2C13H16 |
A2B2C13D16 |
-42.7 |
2.58 |
-9.27 |
-0.16 |
0 |
|
|
49143 |
11528757 |
1 |
N2O2C13H16 |
A2B2C13D16 |
-50.31 |
3.27 |
-9.14 |
-1.07 |
0 |
|
|
49144 |
11528758 |
2 |
NH6C8 |
AB6C8 |
83.05 |
7.13 |
-8.69 |
-0.54 |
0 |
|
|
49145 |
11528759 |
1 |
FN2C14H17 |
AB2C14D17 |
6.24 |
1.32 |
-8.41 |
-0.15 |
0 |
|
|
49146 |
11528760 |
1 |
OSN2C12H12 |
ABC2D12E12 |
21.75 |
5.1 |
-8.44 |
-0.77 |
0 |
|
|
49147 |
11528761 |
1 |
OSN2C12H12 |
ABC2D12E12 |
25.74 |
5.43 |
-8.89 |
-0.99 |
0 |
|
|
49148 |
11528762 |
2 |
H8C9 |
A8B9 |
101.23 |
1.51 |
-9.25 |
0.27 |
0 |
|
|
49149 |
11528763 |
1 |
OSC14H16 |
ABC14D16 |
-2.7 |
3.79 |
-8.83 |
-0.19 |
0 |
|
|
49150 |
11528764 |
1 |
SiO2C13H16 |
AB2C13D16 |
-38.12 |
5.77 |
-9.08 |
-0.43 |
0 |
|
|
49151 |
11528765 |
1 |
NF2O3C10H13 |
AB2C3D10E13 |
-220.79 |
4.65 |
-9.92 |
0.2 |
0 |
|
|
49152 |
11528766 |
1 |
NO4H11C12 |
AB4C11D12 |
-142.96 |
4.98 |
-9.26 |
-0.77 |
0 |
|
|
49153 |
11528767 |
1 |
NO3C13H15 |
AB3C13D15 |
-74.48 |
5.61 |
-9.43 |
-0.82 |
0 |
|
|
49154 |
11528768 |
1 |
O2N3C12H15 |
A2B3C12D15 |
-20.21 |
3.2 |
-8.32 |
-0.26 |
0 |
|
|
49155 |
11528769 |
1 |
N3H11C15 |
A3B11C15 |
125.51 |
6.97 |
-8.96 |
-0.96 |
0 |
|
|
49156 |
11528770 |
1 |
NO2C14H19 |
AB2C14D19 |
-66.67 |
3.15 |
-8.9 |
0.15 |
0 |
|
|
49157 |
11528771 |
1 |
NOC15H23 |
ABC15D23 |
-69.9 |
4.94 |
-9.23 |
0.98 |
0 |
|
|
49158 |
11528772 |
1 |
BrNO2C8H12 |
ABC2D8E12 |
-93.56 |
4.42 |
-8.73 |
0.18 |
0 |
|
|
49159 |
11528773 |
1 |
PO2C13H15 |
AB2C13D15 |
-79.03 |
4.06 |
-9.57 |
0.11 |
0 |
|
|
49160 |
11528774 |
1 |
SN2O3H6C10 |
AB2C3D6E10 |
-41.95 |
6.53 |
-8.91 |
-1.6 |
0 |
|
|
49161 |
11528775 |
1 |
SN2O2H10C11 |
AB2C2D10E11 |
-19.05 |
6.3 |
-8.23 |
-0.46 |
0 |
|
|
49162 |
11528776 |
1 |
O3C14H18 |
A3B14C18 |
-102.93 |
3.64 |
-8.86 |
-0.06 |
0 |
|
|
49163 |
11528777 |
1 |
O3C14H18 |
A3B14C18 |
-106.05 |
3.96 |
-8.93 |
-0.6 |
0 |
|
|
49164 |
11528778 |
1 |
N2O2C13H18 |
A2B2C13D18 |
11.79 |
4.92 |
-8.42 |
-0.89 |
0 |
|
|
49165 |
11528779 |
1 |
N2O2C13H18 |
A2B2C13D18 |
-61.22 |
7.08 |
-9.13 |
-0.8 |
0 |
|
|
49166 |
11528780 |
1 |
O2C15H22 |
A2B15C22 |
-17.9 |
1.73 |
-9.87 |
0.76 |
0 |
|
|
49167 |
11528781 |
1 |
ClFN2O2C9H12 |
ABC2D2E9F12 |
-149.34 |
4.04 |
-9.28 |
-0.51 |
0 |
|
|
49168 |
11528782 |
1 |
FN2O2C9H11 |
AB2C2D9E11 |
-113.24 |
2.18 |
-9.13 |
-0.47 |
0 |
|
|
49169 |
11528783 |
1 |
ClO2H11C13 |
AB2C11D13 |
-41.1 |
2.26 |
-9.35 |
-0.65 |
0 |
|
|
49170 |
11528784 |
1 |
Cl2O3H8C9 |
A2B3C8D9 |
-131.81 |
4.3 |
-9.96 |
-1.06 |
0 |
|
|
49171 |
11528785 |
1 |
NO5H9C11 |
AB5C9D11 |
-155.63 |
5.31 |
-10.0 |
-1.91 |
0 |
|
|
49172 |
11528786 |
1 |
NOH13C16 |
ABC13D16 |
83.27 |
3.5 |
-8.22 |
-0.62 |
0 |
|
|
49173 |
11528787 |
1 |
NOH13C16 |
ABC13D16 |
69.59 |
2.82 |
-9.38 |
-0.28 |
0 |
|
|
49174 |
11528788 |
1 |
NSO2C12H13 |
ABC2D12E13 |
37.57 |
4.32 |
-8.81 |
-0.99 |
0 |
|
|
49175 |
11528789 |
1 |
SiO2N3C10H13 |
AB2C3D10E13 |
26.74 |
8.4 |
-9.27 |
-1.21 |
0 |
|
|
49176 |
11528790 |
1 |
NSiC14H25 |
ABC14D25 |
-25.31 |
1.83 |
-7.96 |
0.54 |
0 |
|
|
49177 |
11528791 |
1 |
N2C7O7H12 |
A2B7C7D12 |
-110.54 |
3.66 |
-10.51 |
-1.57 |
0 |
|
|
49178 |
11528792 |
1 |
NO6C9H17 |
AB6C9D17 |
-276.05 |
6.1 |
-10.08 |
0.7 |
0 |
|
|
49179 |
11528793 |
1 |
N2O4C11H12 |
A2B4C11D12 |
-69.69 |
9.51 |
-9.57 |
-1.45 |
0 |
|
|
49180 |
11528794 |
1 |
O4C13H16 |
A4B13C16 |
-133.67 |
1.95 |
-9.1 |
-0.65 |
0 |
|
|
49181 |
11528795 |
1 |
O4C13H16 |
A4B13C16 |
-33.35 |
3.34 |
-9.38 |
-0.16 |
0 |
|
|
49182 |
11528800 |
1 |
O3C14H20 |
A3B14C20 |
-144.37 |
2.68 |
-9.94 |
-0.09 |
0 |
|
|
49183 |
11528804 |
1 |
SiO5C9H20 |
AB5C9D20 |
-331.71 |
2.97 |
-9.49 |
0.7 |
0 |
|
|
49184 |
11528806 |
2 |
C9H10 |
A9B10 |
40.78 |
0.0 |
-8.47 |
0.55 |
0 |