List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
362089 |
127305766 |
2 |
NO2C9H11 |
AB2C9D11 |
-135.59 |
7.27 |
-9.05 |
-0.47 |
0 |
|
|
362090 |
127305767 |
1 |
N3O3C22H29 |
A3B3C22D29 |
-101.47 |
5.35 |
-9.32 |
-0.48 |
0 |
|
|
362091 |
127305768 |
1 |
N3O3C22H25 |
A3B3C22D25 |
-72.96 |
7.67 |
-9.24 |
-0.38 |
0 |
|
|
362092 |
127305769 |
1 |
SN3O4C19H27 |
AB3C4D19E27 |
-147.64 |
6.51 |
-9.45 |
-0.57 |
0 |
|
|
362093 |
127305775 |
1 |
O3N5C20H25 |
A3B5C20D25 |
-74.22 |
8.28 |
-9.24 |
-0.98 |
0 |
|
|
362094 |
127305776 |
1 |
SO3N4C18H22 |
AB3C4D18E22 |
-93.33 |
6.42 |
-9.14 |
-1.14 |
0 |
|
|
362095 |
127305777 |
2 |
N2O2C10H15 |
A2B2C10D15 |
-200.96 |
5.68 |
-9.31 |
-0.1 |
0 |
|
|
362096 |
127305778 |
1 |
N3O4C19H23 |
A3B4C19D23 |
-136.97 |
4.15 |
-9.11 |
-0.88 |
0 |
|
|
362097 |
127305779 |
1 |
N3O3C22H29 |
A3B3C22D29 |
-123.74 |
4.6 |
-9.28 |
-0.25 |
0 |
|
|
362098 |
127305780 |
1 |
O3N4C21H26 |
A3B4C21D26 |
-90.88 |
3.75 |
-9.31 |
-1.09 |
0 |
|
|
362099 |
127305781 |
1 |
SN3O3C17H27 |
AB3C3D17E27 |
-148.59 |
2.09 |
-9.23 |
-0.23 |
0 |
|
|
362100 |
127305782 |
1 |
SO2N3C16H23 |
AB2C3D16E23 |
-74.1 |
9.11 |
-9.17 |
-0.18 |
0 |
|
|
362101 |
127305783 |
1 |
O3N5C19H25 |
A3B5C19D25 |
-87.66 |
4.78 |
-9.19 |
-1.1 |
0 |
|
|
362102 |
127305784 |
1 |
N3O3C23H31 |
A3B3C23D31 |
-125.32 |
12.26 |
-8.85 |
0.5 |
0 |
|
|
362103 |
127305785 |
1 |
SO4N5C17H27 |
AB4C5D17E27 |
-154.05 |
8.97 |
-9.32 |
-0.08 |
0 |
|
|
362104 |
127305786 |
1 |
N3O3C15H23 |
A3B3C15D23 |
-146.05 |
7.55 |
-9.53 |
0.7 |
0 |
|
|
362105 |
127305787 |
1 |
SO2N3C17H23 |
AB2C3D17E23 |
-44.38 |
7.54 |
-9.3 |
-0.75 |
0 |
|
|
362106 |
127305788 |
1 |
O2N4C17H24 |
A2B4C17D24 |
-53.65 |
7.08 |
-9.15 |
0.24 |
0 |
|
|
362107 |
127305789 |
1 |
O4N5C20H25 |
A4B5C20D25 |
-147.33 |
0.9 |
-9.42 |
-1.44 |
0 |
|
|
362108 |
127305790 |
1 |
SO2N6C18H28 |
AB2C6D18E28 |
-36.39 |
6.01 |
-9.09 |
-0.37 |
0 |
|
|
362109 |
127305791 |
1 |
O3N4C21H28 |
A3B4C21D28 |
-72.85 |
2.52 |
-9.55 |
-1.18 |
0 |
|
|
362110 |
127305792 |
1 |
O4N5C20H25 |
A4B5C20D25 |
-150.32 |
2.77 |
-9.55 |
-1.41 |
0 |
|
|
362111 |
127305793 |
1 |
SN3O3C18H27 |
AB3C3D18E27 |
-157.79 |
4.95 |
-9.14 |
-0.09 |
0 |
|
|
362112 |
127305794 |
1 |
O3N4C19H28 |
A3B4C19D28 |
-142.51 |
7.66 |
-9.02 |
-0.26 |
0 |
|
|
362113 |
127305795 |
1 |
N3O3C20H31 |
A3B3C20D31 |
-160.24 |
5.77 |
-9.28 |
0.77 |
0 |
|
|
362114 |
127305796 |
1 |
N3O4C22H29 |
A3B4C22D29 |
-157.76 |
6.44 |
-8.19 |
0.19 |
0 |
|
|
362115 |
127305797 |
1 |
N4O4C21H26 |
A4B4C21D26 |
-136.76 |
8.38 |
-8.87 |
-0.96 |
0 |
|
|
362116 |
127305798 |
1 |
N3O4C22H27 |
A3B4C22D27 |
-164.26 |
6.01 |
-9.28 |
-0.25 |
0 |
|
|
362117 |
127305799 |
1 |
N4O4C21H26 |
A4B4C21D26 |
-150.67 |
5.65 |
-9.29 |
-0.44 |
0 |
|
|
362118 |
127305800 |
1 |
N3O3C20H25 |
A3B3C20D25 |
-94.2 |
7.91 |
-9.36 |
-0.51 |
0 |
|
|
362119 |
127305801 |
1 |
SN3O3C20H25 |
AB3C3D20E25 |
-114.35 |
8.59 |
-8.92 |
-0.74 |
0 |
|
|
362120 |
127305802 |
1 |
N2O3C15H24 |
A2B3C15D24 |
-148.44 |
5.23 |
-9.24 |
0.92 |
0 |
|
|
362121 |
127305803 |
1 |
SN3O3C18H27 |
AB3C3D18E27 |
-104.28 |
4.54 |
-8.94 |
-0.11 |
0 |
|
|
362122 |
127305804 |
1 |
N4O4C19H28 |
A4B4C19D28 |
-192.18 |
4.35 |
-9.24 |
-0.15 |
0 |
|
|
362123 |
127305805 |
1 |
N3O4C22H29 |
A3B4C22D29 |
-153.8 |
11.22 |
-9.07 |
0.5 |
0 |
|
|
362124 |
127305806 |
1 |
SN3O3C17H25 |
AB3C3D17E25 |
-146.42 |
5.15 |
-8.91 |
-0.53 |
0 |
|
|
362125 |
127305807 |
1 |
O2N5C21H27 |
A2B5C21D27 |
-28.88 |
4.73 |
-9.32 |
-0.74 |
0 |
|
|
362126 |
127305808 |
1 |
N3O3C21H37 |
A3B3C21D37 |
-166.9 |
6.55 |
-8.87 |
0.88 |
0 |
|
|
362127 |
127305809 |
1 |
N3O3C21H25 |
A3B3C21D25 |
-96.62 |
12.18 |
-8.42 |
-0.15 |
0 |
|
|
362128 |
127305810 |
1 |
SO2N6C17H26 |
AB2C6D17E26 |
-13.09 |
2.17 |
-9.31 |
-1.03 |
0 |
|
|
362129 |
127305811 |
1 |
SO2N4C19H22 |
AB2C4D19E22 |
-28.05 |
9.01 |
-8.84 |
-0.91 |
0 |
|
|
362130 |
127305812 |
1 |
O3N5C21H23 |
A3B5C21D23 |
-40.61 |
10.73 |
-9.12 |
-1.02 |
0 |
|
|
362131 |
127305813 |
1 |
O2N4C21H26 |
A2B4C21D26 |
-37.13 |
11.85 |
-9.3 |
-0.35 |
0 |
|
|
362132 |
127305814 |
1 |
N3O3C17H23 |
A3B3C17D23 |
-59.01 |
5.58 |
-9.38 |
-0.43 |
0 |
|
|
362133 |
127305815 |
1 |
O3N5C20H25 |
A3B5C20D25 |
-42.74 |
6.1 |
-9.37 |
-0.76 |
0 |
|
|
362134 |
127305816 |
1 |
SO3N4C19H28 |
AB3C4D19E28 |
-133.86 |
6.22 |
-9.1 |
-0.62 |
0 |
|
|
362135 |
127305817 |
1 |
O3N4C19H24 |
A3B4C19D24 |
-63.36 |
3.68 |
-9.65 |
-1.15 |
0 |
|
|
362136 |
127305818 |
1 |
O3N4C20H26 |
A3B4C20D26 |
-63.57 |
3.43 |
-9.4 |
-1.23 |
0 |
|
|
362137 |
127305819 |
1 |
SO2N3C21H25 |
AB2C3D21E25 |
-46.19 |
5.22 |
-9.28 |
-1.06 |
0 |
|
|
362138 |
127305820 |
2 |
N2O2C10H15 |
A2B2C10D15 |
-196.93 |
5.67 |
-9.37 |
0.01 |
0 |
|
|
362139 |
127305821 |
1 |
SN3O3C19H23 |
AB3C3D19E23 |
-80.05 |
6.88 |
-9.15 |
-0.88 |
0 |
|
|
362140 |
127305822 |
1 |
N2O4C21H28 |
A2B4C21D28 |
-160.57 |
7.28 |
-8.45 |
0.31 |
0 |
|
|
362141 |
127305823 |
1 |
SO2N3C21H25 |
AB2C3D21E25 |
-47.34 |
4.48 |
-9.11 |
-0.92 |
0 |
|
|
362142 |
127305824 |
1 |
O3N4C21H28 |
A3B4C21D28 |
-120.82 |
6.58 |
-9.43 |
-1.01 |
0 |
|
|
362143 |
127305829 |
1 |
N3O4C19H23 |
A3B4C19D23 |
-147.58 |
7.14 |
-9.1 |
-0.64 |
0 |
|
|
362144 |
127305830 |
1 |
N3O4C21H31 |
A3B4C21D31 |
-204.04 |
5.58 |
-9.23 |
-0.09 |
0 |
|
|
362145 |
127305831 |
1 |
SN3O4C19H27 |
AB3C4D19E27 |
-154.96 |
11.55 |
-9.22 |
-0.36 |
0 |
|
|
362146 |
127305832 |
1 |
N3O4C20H29 |
A3B4C20D29 |
-195.11 |
6.21 |
-9.31 |
-0.07 |
0 |
|
|
362147 |
127305833 |
2 |
OSN2C7H10 |
ABC2D7E10 |
-39.56 |
7.84 |
-8.59 |
-0.68 |
0 |
|
|
362148 |
127305834 |
1 |
SO2N6C15H24 |
AB2C6D15E24 |
-26.77 |
6.15 |
-9.39 |
-0.72 |
0 |
|
|
362149 |
127305835 |
1 |
O2N5C19H23 |
A2B5C19D23 |
-15.7 |
8.31 |
-9.58 |
-1.03 |
0 |
|
|
362150 |
127305836 |
2 |
ON2C10H12 |
AB2C10D12 |
-22.59 |
7.21 |
-9.05 |
-0.68 |
0 |
|
|
362151 |
127305837 |
1 |
SN3O4C16H27 |
AB3C4D16E27 |
-187.26 |
12.66 |
-9.32 |
0.85 |
0 |
|
|
362152 |
127305838 |
1 |
SN3O3C21H25 |
AB3C3D21E25 |
-109.79 |
6.44 |
-8.41 |
-0.17 |
0 |
|
|
362153 |
127305839 |
1 |
N3O4C21H27 |
A3B4C21D27 |
-164.74 |
9.33 |
-8.38 |
-0.1 |
0 |
|
|
362154 |
127305840 |
1 |
S2N3O4C17H25 |
A2B3C4D17E25 |
-144.76 |
7.08 |
-9.2 |
-1.08 |
0 |
|
|
362155 |
127305841 |
1 |
FN3O3C20H24 |
AB3C3D20E24 |
-174.1 |
4.61 |
-9.02 |
-0.24 |
0 |
|
|
362156 |
127305842 |
1 |
N3O4C22H29 |
A3B4C22D29 |
-163.18 |
2.69 |
-8.82 |
-0.42 |
0 |
|
|
362157 |
127305843 |
1 |
N3O4C20H25 |
A3B4C20D25 |
-153.38 |
5.06 |
-8.51 |
-0.01 |
0 |
|
|
362158 |
127305847 |
1 |
O3N4C19H24 |
A3B4C19D24 |
-57.94 |
5.09 |
-9.45 |
-1.23 |
0 |
|
|
362159 |
127305848 |
1 |
SN3O3C18H29 |
AB3C3D18E29 |
-148.23 |
8.79 |
-8.87 |
0.07 |
0 |
|
|
362160 |
127305849 |
1 |
O2N3C20H23 |
A2B3C20D23 |
-47.26 |
8.01 |
-9.35 |
-1.01 |
0 |
|
|
362161 |
127305850 |
1 |
SN3O3C20H31 |
AB3C3D20E31 |
-149.52 |
4.09 |
-8.93 |
0.04 |
0 |
|
|
362162 |
127305851 |
1 |
N3O4C20H25 |
A3B4C20D25 |
-158.38 |
3.02 |
-9.22 |
-0.77 |
0 |
|
|
362163 |
127305852 |
1 |
N3O3C15H23 |
A3B3C15D23 |
-145.22 |
10.79 |
-9.51 |
0.66 |
0 |