List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
311779 |
126597685 |
1 |
BrFO2N6H18C23 |
ABC2D6E18F23 |
21.19 |
2.72 |
-8.7 |
-0.98 |
0 |
|
|
311780 |
126597686 |
1 |
ClO3N9H18C23 |
AB3C9D18E23 |
81.59 |
3.18 |
-9.18 |
-1.44 |
0 |
|
|
311781 |
126597688 |
1 |
F3O3N8H19C23 |
A3B3C8D19E23 |
-107.9 |
5.46 |
-8.89 |
-1.25 |
0 |
|
|
311782 |
126597689 |
1 |
FO3N6H17C18 |
AB3C6D17E18 |
-50.66 |
5.61 |
-8.6 |
-1.08 |
0 |
|
|
311783 |
126597692 |
3 |
ON2C6H6 |
AB2C6D6 |
-4.66 |
3.02 |
-8.57 |
-1.02 |
0 |
|
|
311784 |
126597693 |
1 |
O2N6C19H20 |
A2B6C19D20 |
24.1 |
4.57 |
-8.51 |
-0.92 |
0 |
|
|
311785 |
126597694 |
1 |
FO2N7H14C19 |
AB2C7D14E19 |
57.19 |
4.17 |
-8.82 |
-1.16 |
0 |
|
|
311786 |
126597695 |
1 |
FO3N6C22H23 |
AB3C6D22E23 |
-58.6 |
1.94 |
-8.63 |
-0.94 |
0 |
|
|
311787 |
126597697 |
1 |
ClO3N7H20C23 |
AB3C7D20E23 |
18.63 |
8.28 |
-8.82 |
-0.94 |
0 |
|
|
311788 |
126597700 |
1 |
O2N7C18H19 |
A2B7C18D19 |
35.85 |
3.63 |
-8.6 |
-0.87 |
0 |
|
|
311789 |
126597702 |
1 |
ClO3N8H23C24 |
AB3C8D23E24 |
32.36 |
3.52 |
-8.82 |
-1.18 |
0 |
|
|
311790 |
126597706 |
1 |
FO2N6C21H21 |
AB2C6D21E21 |
0.76 |
1.65 |
-8.55 |
-0.88 |
0 |
|
|
311791 |
126597709 |
1 |
O3N6C19H20 |
A3B6C19D20 |
-8.02 |
5.5 |
-8.38 |
-0.77 |
0 |
|
|
311792 |
126597712 |
1 |
ClO3N6C21H21 |
AB3C6D21E21 |
-17.9 |
3.13 |
-8.49 |
-0.84 |
0 |
|
|
311793 |
126597713 |
1 |
SO4N6C20H22 |
AB4C6D20E22 |
-62.06 |
6.0 |
-8.69 |
-1.01 |
0 |
|
|
311794 |
126597714 |
1 |
ClO3N7H22C24 |
AB3C7D22E24 |
26.29 |
4.02 |
-8.68 |
-0.94 |
0 |
|
|
311795 |
126597715 |
1 |
O3N7C24H29 |
A3B7C24D29 |
-18.67 |
4.49 |
-8.32 |
-0.82 |
0 |
|
|
311796 |
126597716 |
1 |
Cl2O3N8H24C26 |
A2B3C8D24E26 |
28.8 |
6.58 |
-8.98 |
-1.05 |
0 |
|
|
311797 |
126597717 |
2 |
ON3C10H13 |
AB3C10D13 |
-15.3 |
5.1 |
-8.42 |
-0.42 |
0 |
|
|
311798 |
126597718 |
2 |
ON3C9H9 |
AB3C9D9 |
13.98 |
6.21 |
-8.48 |
-0.92 |
0 |
|
|
311799 |
126597719 |
1 |
FO2N6C21H23 |
AB2C6D21E23 |
-30.41 |
1.94 |
-8.57 |
-0.89 |
0 |
|
|
311800 |
126597720 |
1 |
ClO3N6H15C17 |
AB3C6D15E17 |
-14.44 |
3.08 |
-8.76 |
-1.0 |
0 |
|
|
311802 |
126597722 |
1 |
FO2N7C22H26 |
AB2C7D22E26 |
-25.78 |
2.1 |
-8.5 |
-0.83 |
0 |
|
|
311803 |
126597723 |
1 |
O3F4N6H18C24 |
A3B4C6D18E24 |
-184.91 |
2.74 |
-8.61 |
-0.95 |
0 |
|
|
311804 |
126597724 |
1 |
FO2N6H17C19 |
AB2C6D17E19 |
10.65 |
0.95 |
-8.57 |
-0.91 |
0 |
|
|
311805 |
126597725 |
1 |
ClO3N7H18C21 |
AB3C7D18E21 |
49.28 |
3.24 |
-8.69 |
-1.0 |
0 |
|
|
311806 |
126597727 |
1 |
FO2N7H20C22 |
AB2C7D20E22 |
23.94 |
2.82 |
-8.65 |
-0.98 |
0 |
|
|
311807 |
126597733 |
1 |
O2F4N8H16C21 |
A2B4C8D16E21 |
-133.95 |
3.6 |
-8.76 |
-1.11 |
0 |
|
|
311808 |
126597734 |
1 |
ClO2F3N6H16C19 |
AB2C3D6E16F19 |
-135.87 |
2.59 |
-8.64 |
-0.99 |
0 |
|
|
311809 |
126597739 |
1 |
ClO3N6H17C18 |
AB3C6D17E18 |
-14.91 |
1.93 |
-8.76 |
-1.15 |
0 |
|
|
311810 |
126597742 |
1 |
ClO3N9H22C27 |
AB3C9D22E27 |
74.62 |
5.7 |
-8.91 |
-1.23 |
0 |
|
|
311811 |
126597743 |
1 |
O2N6C17H20 |
A2B6C17D20 |
14.2 |
5.04 |
-8.49 |
-0.44 |
0 |
|
|
311813 |
126597750 |
1 |
ClO2N6H17C18 |
AB2C6D17E18 |
22.87 |
1.61 |
-8.56 |
-0.9 |
0 |
|
|
311814 |
126597751 |
1 |
FO4N7H18C20 |
AB4C7D18E20 |
-76.49 |
3.92 |
-8.84 |
-1.15 |
0 |
|
|
311815 |
126597755 |
1 |
ClO2N6H19C24 |
AB2C6D19E24 |
60.67 |
2.22 |
-8.63 |
-0.98 |
0 |
|
|
311816 |
126597799 |
1 |
FO3N7H16C20 |
AB3C7D16E20 |
-5.58 |
0.97 |
-8.64 |
-0.96 |
0 |
|
|
311818 |
126597828 |
1 |
F2O3N7C24H27 |
A2B3C7D24E27 |
-127.05 |
2.25 |
-8.55 |
-0.99 |
0 |
|
|
311819 |
126597834 |
1 |
SF2O5N6C23H26 |
AB2C5D6E23F26 |
-215.4 |
5.5 |
-8.69 |
-1.13 |
0 |
|
|
311820 |
126597858 |
1 |
ClO3N6H19C20 |
AB3C6D19E20 |
-10.26 |
1.32 |
-8.62 |
-0.95 |
0 |
|
|
311821 |
126597893 |
1 |
ClO2N8H21C22 |
AB2C8D21E22 |
51.12 |
3.45 |
-8.66 |
-0.98 |
0 |
|
|
311822 |
126597900 |
1 |
O3N8H18C21 |
A3B8C18D21 |
49.86 |
2.58 |
-8.87 |
-1.17 |
0 |
|
|
311824 |
126597947 |
1 |
F2O4N7C24H29 |
A2B4C7D24E29 |
-167.37 |
4.55 |
-8.53 |
-0.91 |
0 |
|
|
311827 |
126598035 |
1 |
FCl2N7C24H24 |
AB2C7D24E24 |
60.88 |
3.44 |
-8.7 |
-0.91 |
0 |
|
|
311828 |
126598071 |
1 |
NF3C9H12 |
AB3C9D12 |
-133.36 |
4.24 |
-9.29 |
1.48 |
0 |
|
|
311830 |
126598081 |
1 |
NOF2C9H11 |
ABC2D9E11 |
-108.87 |
2.91 |
-9.84 |
0.22 |
0 |
|
|
311832 |
126598112 |
1 |
O2N6C23H28 |
A2B6C23D28 |
-12.56 |
4.99 |
-9.0 |
-0.35 |
0 |
|
|
311833 |
126598117 |
1 |
S2N3F6O6H35C40 |
A2B3C6D6E35F40 |
-280.3 |
17.62 |
-7.54 |
-3.49 |
0 |
|
|
311834 |
126598129 |
1 |
INH8C9 |
ABC8D9 |
48.69 |
2.97 |
-8.36 |
-2.52 |
0 |
|
|
311835 |
126598190 |
1 |
SN2C8H8 |
AB2C8D8 |
53.69 |
1.18 |
-8.52 |
-0.9 |
0 |
|
|
311836 |
126598191 |
1 |
OPN5C28H38 |
ABC5D28E38 |
-1.36 |
4.22 |
-8.64 |
-0.64 |
0 |
|
|
311837 |
126598192 |
1 |
NCl2C6H7 |
AB2C6D7 |
-8.14 |
2.76 |
-8.94 |
-0.45 |
0 |
|
|
311840 |
126598206 |
1 |
FOCl2N6C15H15 |
ABC2D6E15F15 |
-15.8 |
2.0 |
-8.68 |
-0.96 |
0 |
|
|
311841 |
126598207 |
1 |
N4O7C28H36 |
A4B7C28D36 |
-271.55 |
5.63 |
-8.96 |
-1.0 |
0 |
|
|
311843 |
126598252 |
1 |
NO6C23H25 |
AB6C23D25 |
-205.8 |
8.9 |
-9.08 |
-1.1 |
0 |
|
|
311845 |
126598341 |
1 |
FCl2O2N7C24H30 |
AB2C2D7E24F30 |
-100.13 |
2.41 |
-8.68 |
-0.94 |
0 |
|
|
311846 |
126598343 |
1 |
SN4O9C31H38 |
AB4C9D31E38 |
-317.99 |
5.07 |
-8.65 |
-1.11 |
0 |
|
|
311847 |
126598353 |
1 |
Cl2N6C15H16 |
A2B6C15D16 |
67.35 |
5.07 |
-8.7 |
-0.65 |
0 |
|
|
311848 |
126598379 |
1 |
N5C57H57 |
A5B57C57 |
150.03 |
1.07 |
-7.81 |
-0.97 |
0 |
|
|
311849 |
126598381 |
1 |
N2H50C57 |
A2B50C57 |
168.04 |
1.12 |
-8.01 |
-0.59 |
0 |
|
|
311850 |
126598389 |
1 |
NH45C48 |
AB45C48 |
99.14 |
2.05 |
-7.91 |
-0.33 |
0 |
|
|
311851 |
126598392 |
2 |
NC28H30 |
AB28C30 |
63.02 |
3.5 |
-7.97 |
-0.3 |
0 |
|
|
311852 |
126598398 |
1 |
N5H61C63 |
A5B61C63 |
162.58 |
2.78 |
-8.12 |
-0.81 |
0 |
|
|
311853 |
126598399 |
1 |
ON4H40C48 |
AB4C40D48 |
147.7 |
2.76 |
-8.15 |
-1.01 |
0 |
|
|
311854 |
126598408 |
1 |
BrNC21H24 |
ABC21D24 |
15.55 |
2.78 |
-8.25 |
-0.41 |
0 |
|
|
311855 |
126598410 |
2 |
N2H19C21 |
A2B19C21 |
141.75 |
2.29 |
-8.12 |
-1.04 |
0 |
|
|
311856 |
126598416 |
2 |
N2H23C27 |
A2B23C27 |
193.93 |
2.39 |
-8.02 |
-1.05 |
0 |
|
|
311857 |
126598440 |
1 |
ClF2O2N7C26H34 |
AB2C2D7E26F34 |
-119.7 |
3.57 |
-8.69 |
-0.69 |
0 |
|
|
311858 |
126598462 |
1 |
OCl2F3N7C24H28 |
AB2C3D7E24F28 |
-155.9 |
2.89 |
-8.74 |
-1.08 |
0 |
|
|
311859 |
126598498 |
1 |
N2H18C19 |
A2B18C19 |
69.83 |
3.97 |
-9.03 |
-0.16 |
0 |
|
|
311860 |
126598531 |
1 |
N3O5C24H29 |
A3B5C24D29 |
-166.77 |
11.58 |
-8.92 |
-1.43 |
0 |
|
|
311861 |
126598556 |
1 |
O3N4C18H24 |
A3B4C18D24 |
-96.53 |
4.98 |
-8.72 |
-1.02 |
0 |
|
|
311862 |
126598558 |
1 |
N2H46C49 |
A2B46C49 |
132.37 |
2.94 |
-7.74 |
-0.48 |
0 |
|
|
311863 |
126598559 |
1 |
N3O3C19H25 |
A3B3C19D25 |
-108.61 |
7.13 |
-8.68 |
-0.87 |
0 |
|
|
311864 |
126598567 |
2 |
NOC4H6 |
ABC4D6 |
-69.25 |
7.6 |
-10.0 |
0.18 |
0 |
|
|
311865 |
126598576 |
1 |
N4O4C21H24 |
A4B4C21D24 |
-111.28 |
7.43 |
-9.02 |
-1.15 |
0 |
|
|
311866 |
126598578 |
1 |
N3O5C23H31 |
A3B5C23D31 |
-212.34 |
8.36 |
-8.76 |
-0.93 |
0 |
|
|
311867 |
126598582 |
2 |
N2O2C9H9 |
A2B2C9D9 |
-96.76 |
9.87 |
-9.13 |
-1.18 |
0 |
|
|
311868 |
126598636 |
1 |
O3N4C29H46 |
A3B4C29D46 |
-132.91 |
2.33 |
-8.15 |
0.31 |
0 |
|
|
311869 |
126598656 |
1 |
NC13H21 |
AB13C21 |
19.01 |
2.77 |
-9.03 |
1.12 |
0 |
|
|
311870 |
126598657 |
2 |
NC4H7 |
AB4C7 |
33.71 |
0.49 |
-8.46 |
0.41 |
0 |
|
|
311871 |
126598660 |
1 |
N2C43H44 |
A2B43C44 |
71.05 |
0.97 |
-7.77 |
-0.29 |
0 |
|
|
311872 |
126598661 |
2 |
NH27C30 |
AB27C30 |
157.7 |
3.18 |
-7.95 |
-0.44 |
0 |
|
|
311873 |
126598669 |
1 |
ON2H48C57 |
AB2C48D57 |
145.19 |
1.94 |
-7.8 |
-0.61 |
0 |
|
|
311874 |
126598670 |
1 |
N2H40C45 |
A2B40C45 |
117.18 |
2.07 |
-7.92 |
-0.37 |
0 |
|
|
311875 |
126598681 |
1 |
BrNC30H34 |
ABC30D34 |
18.96 |
2.51 |
-8.02 |
-0.36 |
0 |
|
|
311877 |
126598685 |
1 |
N5H45C54 |
A5B45C54 |
205.71 |
2.42 |
-7.82 |
-1.23 |
0 |
|
|
311878 |
126598690 |
2 |
OC5H9 |
AB5C9 |
-97.17 |
3.2 |
-8.83 |
1.27 |
0 |
|
|
311879 |
126598696 |
1 |
OSN5C28H31 |
ABC5D28E31 |
88.69 |
5.78 |
-8.14 |
-0.68 |
0 |
|
|
311880 |
126598703 |
1 |
F2N2O3H24C27 |
A2B2C3D24E27 |
-104.87 |
7.42 |
-8.38 |
-1.09 |
0 |
|
|
311881 |
126598704 |
1 |
N3C16H31 |
A3B16C31 |
-23.53 |
1.99 |
-8.53 |
2.6 |
0 |
|
|
311882 |
126598706 |
1 |
N2F3O3H11C14 |
A2B3C3D11E14 |
-232.28 |
5.89 |
-9.44 |
-0.91 |
0 |
|
|
311883 |
126598708 |
1 |
F3O3N4H17C22 |
A3B3C4D17E22 |
-182.34 |
5.5 |
-8.85 |
-1.11 |
0 |
|
|
311884 |
126598748 |
1 |
ON2C35H52 |
AB2C35D52 |
-89.06 |
4.32 |
-8.95 |
0.5 |
0 |
|
|
311885 |
126598749 |
1 |
F3O3N4H17C22 |
A3B3C4D17E22 |
-172.47 |
2.46 |
-8.99 |
-1.28 |
0 |
|
|
311886 |
126598800 |
1 |
N2F3O6H25C26 |
A2B3C6D25E26 |
-352.75 |
8.79 |
-9.04 |
-1.02 |
0 |
|
|
311887 |
126598845 |
1 |
N2H40C45 |
A2B40C45 |
122.81 |
2.91 |
-7.97 |
-0.42 |
0 |
|
|
311888 |
126598854 |
1 |
N2H42C49 |
A2B42C49 |
140.78 |
1.43 |
-7.86 |
-0.63 |
0 |
|
|
311889 |
126598888 |
1 |
O2C13H18 |
A2B13C18 |
-59.23 |
3.81 |
-8.88 |
0.12 |
0 |
|
|
311890 |
126598889 |
1 |
N3O5H19C21 |
A3B5C19D21 |
-93.64 |
7.04 |
-8.9 |
-1.1 |
0 |
|
|
311891 |
126598900 |
1 |
F3N3O5H22C25 |
A3B3C5D22E25 |
-245.84 |
4.13 |
-8.7 |
-0.87 |
0 |