List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
150081 |
53789767 |
1 |
SO6C32H50 |
AB6C32D50 |
-286.82 |
9.64 |
-9.37 |
-0.34 |
0 |
|
|
150082 |
53789768 |
1 |
SN2O7C12H16 |
AB2C7D12E16 |
-301.82 |
0.37 |
-9.14 |
-0.82 |
0 |
|
|
150083 |
53789769 |
1 |
O4N5C10H17 |
A4B5C10D17 |
-146.78 |
12.84 |
-8.42 |
0.16 |
0 |
|
|
150084 |
53789770 |
2 |
O3N4C17H27 |
A3B4C17D27 |
-278.49 |
16.21 |
-8.5 |
0.5 |
0 |
|
|
150085 |
53789771 |
1 |
ON3H5C6 |
AB3C5D6 |
87.47 |
4.12 |
-8.87 |
-1.52 |
0 |
|
|
150086 |
53789772 |
1 |
SN2O2C4H6 |
AB2C2D4E6 |
-34.97 |
2.8 |
-8.83 |
-0.13 |
0 |
|
|
150087 |
53789773 |
1 |
N2O3C10H10 |
A2B3C10D10 |
-51.46 |
3.82 |
-9.7 |
-1.82 |
0 |
|
|
150088 |
53789774 |
1 |
N2O4C19H20 |
A2B4C19D20 |
-14.74 |
9.01 |
-9.44 |
-1.38 |
0 |
|
|
150089 |
53789775 |
1 |
N2O3C7H10 |
A2B3C7D10 |
-101.02 |
5.44 |
-10.0 |
-0.88 |
0 |
|
|
150090 |
53789776 |
1 |
FO4C22H27 |
AB4C22D27 |
-194.68 |
1.68 |
-8.6 |
-0.13 |
0 |
|
|
150091 |
53789777 |
1 |
FO3N4H23C26 |
AB3C4D23E26 |
-15.6 |
8.17 |
-8.72 |
-1.23 |
0 |
|
|
150092 |
53789778 |
1 |
NOSH17C18 |
ABCD17E18 |
25.49 |
5.47 |
-9.49 |
-1.01 |
0 |
|
|
150093 |
53789779 |
1 |
NO2C20H23 |
AB2C20D23 |
-30.8 |
2.81 |
-9.03 |
0.28 |
0 |
|
|
150094 |
53789780 |
1 |
ClF3N4H14C18 |
AB3C4D14E18 |
-90.1 |
4.93 |
-8.76 |
-0.7 |
0 |
|
|
150095 |
53789781 |
1 |
NO8C10H15 |
AB8C10D15 |
-357.52 |
6.9 |
-10.63 |
-0.38 |
0 |
|
|
150096 |
53789782 |
1 |
O6C21H26 |
A6B21C26 |
-238.83 |
4.47 |
-9.83 |
-0.56 |
0 |
|
|
150097 |
53789783 |
2 |
C8H17 |
A8B17 |
-82.1 |
0.05 |
-10.53 |
3.97 |
0 |
|
|
150098 |
53789784 |
1 |
ClS2N6O7C53H73 |
AB2C6D7E53F73 |
-182.56 |
16.1 |
-8.41 |
-1.81 |
0 |
|
|
150099 |
53789785 |
1 |
NO6H33C36 |
AB6C33D36 |
-157.75 |
1.91 |
-8.83 |
-0.73 |
0 |
|
|
150100 |
53789786 |
2 |
OC13H25 |
AB13C25 |
-163.96 |
4.12 |
-9.82 |
0.85 |
0 |
|
|
150101 |
53789787 |
1 |
N4O8C27H40 |
A4B8C27D40 |
-373.25 |
4.31 |
-9.54 |
-0.17 |
0 |
|
|
150102 |
53789788 |
3 |
C5H8 |
A5B8 |
-33.95 |
0.16 |
-8.97 |
0.73 |
0 |
|
|
150103 |
53789789 |
1 |
N3O3C31H37 |
A3B3C31D37 |
-83.7 |
3.52 |
-8.48 |
-0.23 |
0 |
|
|
150104 |
53789790 |
1 |
O5H6C11 |
A5B6C11 |
-101.71 |
1.94 |
-10.66 |
-2.22 |
0 |
|
|
150105 |
53789791 |
1 |
ClO4N5C12H14 |
AB4C5D12E14 |
-36.13 |
7.19 |
-10.07 |
-1.1 |
0 |
|
|
150106 |
53789792 |
1 |
FON8H15C17 |
ABC8D15E17 |
137.13 |
7.86 |
-9.3 |
-1.19 |
0 |
|
|
150107 |
53789793 |
1 |
ClON5C10H12 |
ABC5D10E12 |
7.39 |
3.27 |
-9.0 |
-0.8 |
0 |
|
|
150108 |
53789794 |
1 |
N7H27C39 |
A7B27C39 |
241.64 |
4.5 |
-7.92 |
-1.41 |
0 |
|
|
150109 |
53789795 |
1 |
ON2C16H22 |
AB2C16D22 |
-18.32 |
2.52 |
-8.01 |
0.06 |
0 |
|
|
150110 |
53789796 |
1 |
ON2C16H22 |
AB2C16D22 |
-16.79 |
3.38 |
-7.95 |
-0.01 |
0 |
|
|
150111 |
53789797 |
1 |
S3N5O5C31H59 |
A3B5C5D31E59 |
-279.83 |
6.32 |
-8.24 |
-0.46 |
0 |
|
|
150112 |
53789798 |
2 |
NOC4H7 |
ABC4D7 |
-104.77 |
3.46 |
-9.39 |
-0.18 |
0 |
|
|
150113 |
53789799 |
1 |
OS2N3C18H39 |
AB2C3D18E39 |
-99.93 |
8.97 |
-8.4 |
0.04 |
0 |
|
|
150114 |
53789800 |
2 |
ON4H13C15 |
AB4C13D15 |
138.59 |
3.42 |
-8.53 |
-1.29 |
0 |
|
|
150115 |
53789801 |
1 |
NOCl2F3H14C20 |
ABC2D3E14F20 |
-138.54 |
2.91 |
-9.74 |
-0.76 |
0 |
|
|
150116 |
53789802 |
1 |
N2O5C13H20 |
A2B5C13D20 |
-123.49 |
4.05 |
-10.04 |
-0.7 |
0 |
|
|
150117 |
53789803 |
1 |
ON2C10H18 |
AB2C10D18 |
-6.21 |
3.46 |
-8.41 |
1.11 |
0 |
|
|
150118 |
53789804 |
1 |
ClPO4C19H24 |
ABC4D19E24 |
-201.38 |
2.94 |
-8.77 |
0.04 |
0 |
|
|
150119 |
53789805 |
2 |
O5C11H14 |
A5B11C14 |
-406.56 |
7.14 |
-8.84 |
-0.95 |
0 |
|
|
150120 |
53789806 |
2 |
O5C11H14 |
A5B11C14 |
-410.48 |
5.64 |
-8.87 |
-1.05 |
0 |
|
|
150121 |
53789807 |
1 |
ClO2N3C26H32 |
AB2C3D26E32 |
-5.64 |
2.54 |
-8.5 |
0.05 |
0 |
|
|
150122 |
53789808 |
1 |
Cl2O4N8H30C31 |
A2B4C8D30E31 |
-3.22 |
2.04 |
-8.32 |
-0.88 |
0 |
|
|
150123 |
53789809 |
1 |
SC14H22 |
AB14C22 |
-19.37 |
2.36 |
-8.52 |
0.18 |
0 |
|
|
150124 |
53789810 |
1 |
O7C21H30 |
A7B21C30 |
-269.86 |
4.87 |
-8.74 |
-1.02 |
0 |
|
|
150125 |
53789811 |
1 |
O5C9H16 |
A5B9C16 |
-245.66 |
5.8 |
-11.07 |
-0.24 |
0 |
|
|
150126 |
53789812 |
2 |
NOC6H13 |
ABC6D13 |
-123.91 |
5.87 |
-9.39 |
0.74 |
0 |
|
|
150127 |
53789813 |
1 |
N3S3C7H11 |
A3B3C7D11 |
44.12 |
3.16 |
-8.81 |
-0.44 |
0 |
|
|
150128 |
53789814 |
2 |
F8N8H39C40 |
A8B8C39D40 |
-401.36 |
4.44 |
-7.74 |
-0.67 |
0 |
|
|
150129 |
53789815 |
1 |
N2O2C13H18 |
A2B2C13D18 |
-76.15 |
2.66 |
-8.68 |
0.09 |
0 |
|
|
150130 |
53789816 |
1 |
NSO4C17H21 |
ABC4D17E21 |
-54.71 |
3.98 |
-9.1 |
-0.7 |
0 |
|
|
150131 |
53789818 |
2 |
O2C7H10 |
A2B7C10 |
-188.16 |
8.4 |
-9.59 |
-0.43 |
0 |
|
|
150132 |
53789819 |
1 |
ON3C16H19 |
AB3C16D19 |
-5.66 |
3.87 |
-8.23 |
0.19 |
0 |
|
|
150133 |
53789820 |
1 |
PS2N3O3C20H36 |
AB2C3D3E20F36 |
-211.6 |
8.88 |
-8.77 |
-0.1 |
0 |
|
|
150134 |
53789821 |
1 |
NO5C30H33 |
AB5C30D33 |
-147.89 |
7.31 |
-8.36 |
-0.26 |
0 |
|
|
150135 |
53789822 |
2 |
C5H9 |
A5B9 |
6.13 |
0.05 |
-9.89 |
2.06 |
0 |
|
|
150136 |
53789823 |
1 |
NO5H11C13 |
AB5C11D13 |
-87.09 |
6.12 |
-10.82 |
-1.72 |
0 |
|
|
150137 |
53789824 |
1 |
SO2N3F7H16C24 |
AB2C3D7E16F24 |
-350.94 |
6.15 |
-9.2 |
-1.58 |
0 |
|
|
150138 |
53789825 |
1 |
N2S2O3H20C21 |
A2B2C3D20E21 |
-31.86 |
4.69 |
-8.3 |
-0.96 |
0 |
|
|
150139 |
53789826 |
1 |
BrF2C4H7 |
AB2C4D7 |
-120.94 |
3.3 |
-10.53 |
-0.11 |
0 |
|
|
150140 |
53789827 |
1 |
FNOC23H30 |
ABCD23E30 |
-68.04 |
2.87 |
-8.66 |
-0.72 |
0 |
|
|
150141 |
53789828 |
1 |
Cl4O4H10F12C21 |
A4B4C10D12E21 |
-669.14 |
0.47 |
-10.41 |
-1.22 |
0 |
|
|
150142 |
53789829 |
1 |
PSN3O8C32H56 |
ABC3D8E32F56 |
-466.95 |
3.68 |
-8.7 |
0.04 |
0 |
|
|
150143 |
53789830 |
1 |
N2O2C9H20 |
A2B2C9D20 |
-129.76 |
1.68 |
-9.85 |
0.96 |
0 |
|
|
150144 |
53789831 |
2 |
FOH11C12 |
ABC11D12 |
-124.08 |
5.02 |
-9.31 |
-0.9 |
0 |
|
|
150145 |
53789832 |
1 |
SO3H18C24 |
AB3C18D24 |
-23.08 |
5.71 |
-8.59 |
-0.52 |
0 |
|
|
150146 |
53789833 |
1 |
NO5C18H35 |
AB5C18D35 |
-275.38 |
6.12 |
-9.4 |
0.44 |
0 |
|
|
150147 |
53789834 |
1 |
OSN2C17H20 |
ABC2D17E20 |
-9.87 |
3.0 |
-8.59 |
-1.18 |
0 |
|
|
150148 |
53789835 |
1 |
NOC16H23 |
ABC16D23 |
-48.66 |
2.25 |
-8.69 |
0.2 |
0 |
|
|
150149 |
53789836 |
1 |
O3N4C14H18 |
A3B4C14D18 |
-82.71 |
4.68 |
-9.07 |
-0.47 |
0 |
|
|
150150 |
53789837 |
1 |
NO3C10H11 |
AB3C10D11 |
-91.29 |
3.12 |
-9.81 |
-0.53 |
0 |
|
|
150151 |
53789838 |
1 |
O6N7C33H47 |
A6B7C33D47 |
-242.75 |
8.57 |
-9.07 |
-1.22 |
0 |
|
|
150152 |
53789839 |
1 |
H14C17F18 |
A14B17C18 |
-909.18 |
3.99 |
-12.47 |
0.17 |
0 |
|
|
150153 |
53789840 |
1 |
N2O2C9H10 |
A2B2C9D10 |
-55.46 |
2.56 |
-9.67 |
0.06 |
0 |
|
|
150154 |
53789841 |
1 |
NO4H23C25 |
AB4C23D25 |
-112.95 |
6.67 |
-8.9 |
-0.79 |
0 |
|
|
150155 |
53789842 |
2 |
N2O3C10H14 |
A2B3C10D14 |
-252.3 |
10.47 |
-9.46 |
-0.49 |
0 |
|
|
150156 |
53789843 |
1 |
N2O2C15H18 |
A2B2C15D18 |
-24.5 |
2.52 |
-8.76 |
-0.83 |
0 |
|
|
150157 |
53789844 |
1 |
BrN2O2C9H9 |
AB2C2D9E9 |
-33.95 |
6.19 |
-9.03 |
-1.25 |
0 |
|
|
150158 |
53789845 |
1 |
SF2N5O7H27C31 |
AB2C5D7E27F31 |
-196.11 |
16.61 |
-8.71 |
-1.27 |
0 |
|
|
150159 |
53789846 |
1 |
ClO2N4H19C25 |
AB2C4D19E25 |
41.99 |
5.43 |
-8.74 |
-1.34 |
0 |
|
|
150160 |
53789847 |
1 |
Cl3N3O3H20C27 |
A3B3C3D20E27 |
-25.19 |
9.17 |
-8.8 |
-1.01 |
0 |
|
|
150161 |
53789848 |
1 |
FO3N5C22H30 |
AB3C5D22E30 |
-136.48 |
5.73 |
-8.38 |
-0.43 |
0 |
|
|
150162 |
53789849 |
1 |
NSO5C13H17 |
ABC5D13E17 |
-177.22 |
3.53 |
-9.93 |
-1.41 |
0 |
|
|
150163 |
53789850 |
1 |
ClNSO4C13H18 |
ABCD4E13F18 |
-168.8 |
4.72 |
-9.66 |
-0.89 |
0 |
|
|
150164 |
53789851 |
2 |
NC14H22 |
AB14C22 |
-24.93 |
1.58 |
-8.96 |
-0.65 |
0 |
|
|
150165 |
53789852 |
1 |
S6N7H19O19C22 |
A6B7C19D19E22 |
-637.21 |
12.97 |
-9.67 |
-3.06 |
0 |
|
|
150166 |
53789853 |
4 |
OC4H5 |
AB4C5 |
-152.05 |
1.67 |
-9.17 |
-0.24 |
0 |
|
|
150167 |
53789854 |
1 |
O2N3C35H41 |
A2B3C35D41 |
-15.25 |
3.74 |
-8.81 |
-0.75 |
0 |
|
|
150168 |
53789855 |
1 |
F2O4C29H40 |
A2B4C29D40 |
-268.41 |
3.45 |
-8.63 |
-0.66 |
0 |
|
|
150169 |
53789856 |
1 |
O2N3C34H43 |
A2B3C34D43 |
-46.74 |
5.21 |
-7.92 |
-0.52 |
0 |
|
|
150170 |
53789857 |
1 |
N2O3C28H38 |
A2B3C28D38 |
-93.24 |
5.37 |
-8.87 |
-0.06 |
0 |
|
|
150171 |
53789858 |
1 |
F2N2O2C25H32 |
A2B2C2D25E32 |
-145.21 |
2.04 |
-8.25 |
-0.86 |
0 |
|
|
150172 |
53789859 |
1 |
N3O3C16H19 |
A3B3C16D19 |
-90.61 |
3.71 |
-7.49 |
0.02 |
0 |
|
|
150173 |
53789860 |
1 |
SO4C8H16 |
AB4C8D16 |
-183.21 |
1.26 |
-10.21 |
0.18 |
0 |
|
|
150174 |
53789861 |
1 |
O2N7H9C16 |
A2B7C9D16 |
110.19 |
4.72 |
-8.68 |
-2.48 |
0 |
|
|
150175 |
53789862 |
1 |
O3S3N5H35C42 |
A3B3C5D35E42 |
137.81 |
0.81 |
-8.82 |
-0.87 |
0 |
|
|
150176 |
53789863 |
1 |
O3S3N5H35C42 |
A3B3C5D35E42 |
133.59 |
2.83 |
-8.82 |
-0.92 |
0 |
|
|
150177 |
53789864 |
1 |
NSO3C11H11 |
ABC3D11E11 |
-85.54 |
6.98 |
-9.63 |
-0.4 |
0 |
|
|
150178 |
53789865 |
1 |
Cl2N3O3C21H27 |
A2B3C3D21E27 |
-113.78 |
1.92 |
-8.51 |
-0.77 |
0 |
|
|
150179 |
53789866 |
1 |
F2O4N6H28C35 |
A2B4C6D28E35 |
-44.51 |
11.7 |
-8.7 |
-1.26 |
0 |
|
|
150180 |
53789867 |
1 |
ON5C17H23 |
AB5C17D23 |
55.23 |
3.64 |
-8.36 |
0.11 |
0 |