List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
368792 |
127330122 |
1 |
NO5C20H27 |
AB5C20D27 |
-194.96 |
4.44 |
-8.85 |
-0.12 |
0 |
|
|
368793 |
127330123 |
1 |
N2O3C12H18 |
A2B3C12D18 |
-79.35 |
3.72 |
-9.68 |
0.17 |
0 |
|
|
368794 |
127330124 |
1 |
N3O3C19H25 |
A3B3C19D25 |
-83.89 |
6.04 |
-9.2 |
-0.48 |
0 |
|
|
368795 |
127330137 |
1 |
N3O3C17H25 |
A3B3C17D25 |
-102.93 |
3.93 |
-8.3 |
-0.21 |
0 |
|
|
368796 |
127330138 |
1 |
NO3C19H21 |
AB3C19D21 |
-93.43 |
3.47 |
-8.8 |
0.19 |
0 |
|
|
368797 |
127330139 |
1 |
O3N4C21H28 |
A3B4C21D28 |
-56.38 |
3.59 |
-8.87 |
-0.42 |
0 |
|
|
368798 |
127330140 |
2 |
ON2C11H14 |
AB2C11D14 |
-51.34 |
4.93 |
-8.77 |
0.05 |
0 |
|
|
368799 |
127330170 |
1 |
SO4N5C13H19 |
AB4C5D13E19 |
-119.33 |
5.91 |
-8.68 |
0.01 |
0 |
|
|
368800 |
127330171 |
1 |
O3N6C19H30 |
A3B6C19D30 |
-103.31 |
3.41 |
-8.64 |
0.24 |
0 |
|
|
368801 |
127330186 |
1 |
O3N5C16H19 |
A3B5C16D19 |
-84.09 |
6.7 |
-8.34 |
-0.77 |
0 |
|
|
368802 |
127330187 |
1 |
O3N4C18H24 |
A3B4C18D24 |
-94.7 |
3.5 |
-8.74 |
0.14 |
0 |
|
|
368803 |
127330188 |
1 |
O3N5C21H25 |
A3B5C21D25 |
-64.61 |
3.79 |
-8.69 |
0.1 |
0 |
|
|
368804 |
127330189 |
1 |
O3N4C18H20 |
A3B4C18D20 |
-61.88 |
1.83 |
-8.57 |
-0.13 |
0 |
|
|
368805 |
127330193 |
1 |
O3N5C20H23 |
A3B5C20D23 |
-55.14 |
6.19 |
-8.77 |
-0.08 |
0 |
|
|
368806 |
127330194 |
1 |
O2N4C21H30 |
A2B4C21D30 |
-78.31 |
2.59 |
-8.63 |
0.33 |
0 |
|
|
368807 |
127330225 |
1 |
OSN7C18H19 |
ABC7D18E19 |
108.38 |
10.98 |
-8.83 |
-1.24 |
0 |
|
|
368808 |
127330226 |
1 |
NS2O3C13H15 |
AB2C3D13E15 |
-110.76 |
2.57 |
-8.48 |
-0.09 |
0 |
|
|
368809 |
127330227 |
1 |
SO2N3C22H29 |
AB2C3D22E29 |
-101.21 |
4.24 |
-8.56 |
-0.14 |
0 |
|
|
368810 |
127330228 |
1 |
N2O3S3C17H18 |
A2B3C3D17E18 |
-66.1 |
4.82 |
-8.39 |
-1.2 |
0 |
|
|
368811 |
127330229 |
1 |
N2S2O3C13H16 |
A2B2C3D13E16 |
-100.68 |
4.32 |
-8.58 |
-0.19 |
0 |
|
|
368812 |
127330240 |
1 |
SN2O3C15H16 |
AB2C3D15E16 |
-114.5 |
4.69 |
-8.6 |
-0.22 |
0 |
|
|
368813 |
127330241 |
1 |
SN3O3C20H25 |
AB3C3D20E25 |
-125.96 |
2.44 |
-8.6 |
-0.25 |
0 |
|
|
368814 |
127330242 |
1 |
SO2N3H21C22 |
AB2C3D21E22 |
-34.54 |
4.73 |
-8.61 |
-0.96 |
0 |
|
|
368815 |
127330243 |
1 |
SN2O3C19H22 |
AB2C3D19E22 |
-120.06 |
6.62 |
-8.46 |
-0.27 |
0 |
|
|
368816 |
127330244 |
1 |
SN2O3C18H20 |
AB2C3D18E20 |
-113.47 |
5.53 |
-8.53 |
-0.28 |
0 |
|
|
368817 |
127330253 |
1 |
N2S2O3C15H20 |
A2B2C3D15E20 |
-117.12 |
1.61 |
-8.63 |
-0.2 |
0 |
|
|
368818 |
127330254 |
1 |
N2O3S3C17H18 |
A2B3C3D17E18 |
-69.59 |
2.76 |
-8.46 |
-1.22 |
0 |
|
|
368819 |
127330298 |
1 |
N3O3C17H25 |
A3B3C17D25 |
-96.72 |
2.76 |
-9.07 |
-0.2 |
0 |
|
|
368820 |
127330299 |
1 |
N2O3C14H26 |
A2B3C14D26 |
-149.7 |
2.35 |
-8.8 |
0.98 |
0 |
|
|
368821 |
127330554 |
1 |
SN2O3C15H22 |
AB2C3D15E22 |
-103.51 |
3.31 |
-9.46 |
-0.74 |
0 |
|
|
368822 |
127330555 |
1 |
O2N4C23H32 |
A2B4C23D32 |
-53.07 |
7.36 |
-8.79 |
0.29 |
0 |
|
|
368823 |
127330556 |
1 |
O3N4C17H28 |
A3B4C17D28 |
-108.41 |
6.11 |
-9.29 |
0.42 |
0 |
|
|
368824 |
127330557 |
1 |
O2N4C21H28 |
A2B4C21D28 |
-51.25 |
5.32 |
-8.98 |
0.03 |
0 |
|
|
368825 |
127330558 |
2 |
NO2C7H13 |
AB2C7D13 |
-176.34 |
3.04 |
-8.71 |
0.44 |
0 |
|
|
368826 |
127330629 |
1 |
SO2N3C17H23 |
AB2C3D17E23 |
-87.33 |
1.44 |
-8.62 |
-0.25 |
0 |
|
|
368827 |
127330630 |
1 |
SO2N3C20H21 |
AB2C3D20E21 |
-42.76 |
2.27 |
-8.62 |
-0.25 |
0 |
|
|
368828 |
127330638 |
1 |
SN2O4H20C21 |
AB2C4D20E21 |
-111.59 |
3.77 |
-8.46 |
-0.24 |
0 |
|
|
368829 |
127330639 |
1 |
SN2O2C17H22 |
AB2C2D17E22 |
-84.79 |
5.7 |
-8.61 |
-0.22 |
0 |
|
|
368830 |
127330640 |
1 |
SN3O3C16H19 |
AB3C3D16E19 |
-94.53 |
4.52 |
-8.6 |
-0.33 |
0 |
|
|
368831 |
127330651 |
1 |
O2N5C21H23 |
A2B5C21D23 |
22.77 |
4.91 |
-8.42 |
-0.47 |
0 |
|
|
368832 |
127330652 |
2 |
ON2C10H12 |
AB2C10D12 |
-19.22 |
3.79 |
-8.63 |
-0.22 |
0 |
|
|
368833 |
127330653 |
1 |
ClO2N6C18H23 |
AB2C6D18E23 |
-9.12 |
1.97 |
-8.94 |
-0.78 |
0 |
|
|
368834 |
127330654 |
1 |
ON8C14H18 |
AB8C14D18 |
89.6 |
10.93 |
-9.18 |
-1.2 |
0 |
|
|
368835 |
127330655 |
1 |
SO2N6C18H26 |
AB2C6D18E26 |
-16.01 |
2.06 |
-9.26 |
-0.77 |
0 |
|
|
368836 |
127330656 |
1 |
O2N5C19H31 |
A2B5C19D31 |
-76.76 |
2.92 |
-8.72 |
0.1 |
0 |
|
|
368837 |
127330657 |
1 |
O2N5C18H29 |
A2B5C18D29 |
-69.43 |
5.19 |
-8.61 |
0.29 |
0 |
|
|
368838 |
127330667 |
1 |
S2N7C15H21 |
A2B7C15D21 |
114.23 |
6.54 |
-8.89 |
-1.03 |
0 |
|
|
368839 |
127330668 |
1 |
SN6C17H26 |
AB6C17D26 |
56.85 |
3.94 |
-8.86 |
-0.67 |
0 |
|
|
368840 |
127330669 |
2 |
SN3C9H12 |
AB3C9D12 |
77.38 |
6.46 |
-8.75 |
-1.07 |
0 |
|
|
368841 |
127330713 |
1 |
SN3O4C17H21 |
AB3C4D17E21 |
-122.07 |
4.18 |
-9.15 |
-1.05 |
0 |
|
|
368842 |
127330714 |
1 |
NSO3C11H23 |
ABC3D11E23 |
-153.88 |
3.56 |
-9.42 |
0.4 |
0 |
|
|
368843 |
127330785 |
1 |
SN2O2C15H20 |
AB2C2D15E20 |
-79.15 |
3.6 |
-8.5 |
-0.13 |
0 |
|
|
368844 |
127330786 |
1 |
O3N5C14H21 |
A3B5C14D21 |
-93.58 |
2.2 |
-8.67 |
0.18 |
0 |
|
|
368845 |
127330787 |
1 |
SN2O2C14H18 |
AB2C2D14E18 |
-74.01 |
2.15 |
-8.63 |
-0.22 |
0 |
|
|
368846 |
127330792 |
1 |
SN2O2C15H20 |
AB2C2D15E20 |
-75.45 |
2.88 |
-8.59 |
-0.21 |
0 |
|
|
368847 |
127330793 |
1 |
S2N3O3C15H21 |
A2B3C3D15E21 |
-116.53 |
3.68 |
-8.62 |
-0.25 |
0 |
|
|
368848 |
127330794 |
1 |
SO2N3C17H23 |
AB2C3D17E23 |
-85.45 |
5.85 |
-8.55 |
-0.17 |
0 |
|
|
368849 |
127330795 |
1 |
SO2N3C15H19 |
AB2C3D15E19 |
-71.43 |
6.41 |
-8.64 |
-0.25 |
0 |
|
|
368850 |
127330796 |
1 |
SO4N6C14H22 |
AB4C6D14E22 |
-123.17 |
6.65 |
-8.56 |
0.18 |
0 |
|
|
368851 |
127330799 |
1 |
SO2N3C17H23 |
AB2C3D17E23 |
-92.54 |
1.42 |
-8.62 |
-0.22 |
0 |
|
|
368852 |
127330800 |
1 |
SO2N3C18H25 |
AB2C3D18E25 |
-89.11 |
3.44 |
-8.5 |
-0.12 |
0 |
|
|
368853 |
127330813 |
1 |
O2N5C20H33 |
A2B5C20D33 |
-76.67 |
5.04 |
-8.57 |
0.06 |
0 |
|
|
368854 |
127330814 |
1 |
O2N5C20H33 |
A2B5C20D33 |
-72.05 |
4.38 |
-8.55 |
-0.04 |
0 |
|
|
368855 |
127330815 |
1 |
ON5C20H31 |
AB5C20D31 |
-9.91 |
5.14 |
-8.38 |
0.12 |
0 |
|
|
368856 |
127330816 |
1 |
ON8C20H30 |
AB8C20D30 |
24.98 |
5.89 |
-8.55 |
0.07 |
0 |
|
|
368857 |
127330817 |
1 |
ON5C20H33 |
AB5C20D33 |
-39.9 |
4.75 |
-8.47 |
0.04 |
0 |
|
|
368858 |
127330818 |
1 |
ON5C21H33 |
AB5C21D33 |
-23.94 |
3.44 |
-8.35 |
0.11 |
0 |
|
|
368859 |
127330819 |
1 |
ON5C23H35 |
AB5C23D35 |
-36.4 |
2.16 |
-8.47 |
0.04 |
0 |
|
|
368860 |
127330830 |
1 |
ON5C20H27 |
AB5C20D27 |
4.56 |
7.08 |
-9.34 |
-0.64 |
0 |
|
|
368861 |
127330831 |
1 |
O2N7C18H23 |
A2B7C18D23 |
-6.91 |
7.21 |
-9.48 |
-0.87 |
0 |
|
|
368862 |
127330832 |
1 |
O3N6C20H26 |
A3B6C20D26 |
-57.88 |
7.09 |
-9.48 |
-0.75 |
0 |
|
|
368863 |
127330833 |
1 |
ON5C20H25 |
AB5C20D25 |
27.74 |
6.28 |
-9.33 |
-0.72 |
0 |
|
|
368864 |
127330834 |
1 |
ON6C21H30 |
AB6C21D30 |
14.17 |
6.77 |
-8.68 |
-0.68 |
0 |
|
|
368865 |
127330835 |
1 |
ON4C18H24 |
AB4C18D24 |
-3.85 |
8.26 |
-8.81 |
-0.53 |
0 |
|
|
368866 |
127330836 |
1 |
O2N3C17H19 |
A2B3C17D19 |
-9.91 |
2.76 |
-8.83 |
0.07 |
0 |
|
|
368867 |
127330837 |
1 |
O2N3C18H21 |
A2B3C18D21 |
-17.21 |
3.49 |
-8.81 |
0.06 |
0 |
|
|
368868 |
127330838 |
1 |
SN3O4C19H29 |
AB3C4D19E29 |
-161.01 |
5.75 |
-9.05 |
-0.63 |
0 |
|
|
368869 |
127330839 |
1 |
O3N4C20H26 |
A3B4C20D26 |
-81.47 |
2.43 |
-8.55 |
-0.65 |
0 |
|
|
368870 |
127330840 |
1 |
O3N5C21H27 |
A3B5C21D27 |
-69.64 |
8.38 |
-9.14 |
-0.1 |
0 |
|
|
368871 |
127330841 |
1 |
O3N4C21H28 |
A3B4C21D28 |
-87.54 |
10.66 |
-8.59 |
-0.54 |
0 |
|
|
368872 |
127330842 |
2 |
ON2C11H16 |
AB2C11D16 |
-92.17 |
3.23 |
-8.28 |
0.17 |
0 |
|
|
368873 |
127330843 |
1 |
O2N3C21H29 |
A2B3C21D29 |
-96.18 |
2.71 |
-8.35 |
0.05 |
0 |
|
|
368874 |
127330844 |
1 |
SN3O3C18H27 |
AB3C3D18E27 |
-122.89 |
10.58 |
-8.48 |
-0.09 |
0 |
|
|
368875 |
127330845 |
1 |
O2N3C19H23 |
A2B3C19D23 |
-26.28 |
3.13 |
-8.22 |
-0.6 |
0 |
|
|
368876 |
127330846 |
1 |
SO4N6C16H18 |
AB4C6D16E18 |
-53.67 |
8.16 |
-9.33 |
-1.6 |
0 |
|
|
368877 |
127330847 |
1 |
SO2N3C19H27 |
AB2C3D19E27 |
-77.19 |
6.48 |
-8.53 |
-0.15 |
0 |
|
|
368878 |
127330848 |
1 |
SO2N4C19H24 |
AB2C4D19E24 |
-64.14 |
4.69 |
-8.3 |
-0.77 |
0 |
|
|
368879 |
127330849 |
1 |
OSN5C17H29 |
ABC5D17E29 |
-26.64 |
7.27 |
-8.34 |
-0.21 |
0 |
|
|
368880 |
127330850 |
1 |
SO2N4C19H28 |
AB2C4D19E28 |
-79.5 |
5.68 |
-8.55 |
-0.16 |
0 |
|
|
368881 |
127330851 |
1 |
O2S2N3C17H21 |
A2B2C3D17E21 |
-37.93 |
5.12 |
-8.46 |
-0.74 |
0 |
|
|
368882 |
127330852 |
1 |
SO3N5C15H21 |
AB3C5D15E21 |
-110.39 |
3.96 |
-8.55 |
-0.19 |
0 |
|
|
368883 |
127330853 |
1 |
SO2N3C16H25 |
AB2C3D16E25 |
-82.17 |
6.12 |
-8.52 |
-0.12 |
0 |
|
|
368884 |
127330854 |
1 |
S2O3N4C15H24 |
A2B3C4D15E24 |
-109.61 |
4.2 |
-8.62 |
-0.27 |
0 |
|
|
368885 |
127330855 |
1 |
OSN5C16H21 |
ABC5D16E21 |
23.88 |
3.72 |
-8.28 |
0.11 |
0 |
|
|
368886 |
127330857 |
1 |
SN3O3C14H21 |
AB3C3D14E21 |
-102.58 |
4.95 |
-8.49 |
-0.09 |
0 |
|
|
368887 |
127330858 |
1 |
SO3N5C18H25 |
AB3C5D18E25 |
-119.43 |
8.99 |
-8.64 |
-0.26 |
0 |
|
|
368888 |
127330859 |
1 |
SO2N3C15H23 |
AB2C3D15E23 |
-78.38 |
3.13 |
-8.43 |
-0.03 |
0 |
|
|
368889 |
127330860 |
1 |
SO2N3C16H23 |
AB2C3D16E23 |
-63.66 |
4.43 |
-8.51 |
-0.11 |
0 |
|
|
368890 |
127330861 |
1 |
SN3O3C15H19 |
AB3C3D15E19 |
-86.38 |
4.91 |
-9.44 |
-0.98 |
0 |
|
|
368891 |
127330862 |
1 |
SN3O4C15H25 |
AB3C4D15E25 |
-164.84 |
8.07 |
-9.38 |
0.41 |
0 |