List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
446801 |
135277804 |
1 |
O2N5C12H15 |
A2B5C12D15 |
13.11 |
2.86 |
-8.93 |
-0.43 |
0 |
|
|
446802 |
135277819 |
1 |
O3N7H19C24 |
A3B7C19D24 |
65.7 |
3.96 |
-9.45 |
-1.35 |
0 |
|
|
446803 |
135277835 |
1 |
O2F3N5C28H32 |
A2B3C5D28E32 |
-146.18 |
5.67 |
-8.43 |
-0.69 |
0 |
|
|
446804 |
135277837 |
1 |
O2F3N9H16C22 |
A2B3C9D16E22 |
-48.9 |
7.6 |
-9.7 |
-1.41 |
0 |
|
|
446805 |
135277838 |
1 |
O2N9C28H31 |
A2B9C28D31 |
72.3 |
7.37 |
-9.25 |
-0.88 |
0 |
|
|
446806 |
135277839 |
1 |
FN9H22C23 |
AB9C22D23 |
129.87 |
6.67 |
-9.39 |
-1.07 |
0 |
|
|
446807 |
135277850 |
2 |
NOC7H9 |
ABC7D9 |
-52.91 |
5.0 |
-9.81 |
-0.2 |
0 |
|
|
446808 |
135277859 |
1 |
ClOC16H19 |
ABC16D19 |
-29.5 |
1.67 |
-9.23 |
0.08 |
0 |
|
|
446809 |
135277875 |
1 |
N2O3C13H26 |
A2B3C13D26 |
-158.46 |
4.41 |
-8.72 |
0.84 |
0 |
|
|
446810 |
135277889 |
1 |
F2N2O5C21H22 |
A2B2C5D21E22 |
-264.43 |
8.73 |
-9.22 |
-0.88 |
0 |
|
|
446811 |
135277890 |
1 |
F2N2O7C24H24 |
A2B2C7D24E24 |
-327.07 |
8.58 |
-9.48 |
-1.58 |
0 |
|
|
446812 |
135277903 |
1 |
N2O5C25H28 |
A2B5C25D28 |
-154.9 |
6.77 |
-8.85 |
-0.82 |
0 |
|
|
446813 |
135277914 |
1 |
NOC15H27 |
ABC15D27 |
-40.78 |
3.46 |
-10.03 |
0.2 |
0 |
|
|
446814 |
135277923 |
1 |
NCl2O2H7C11 |
AB2C2D7E11 |
-48.17 |
1.82 |
-9.73 |
-1.62 |
0 |
|
|
446815 |
135277927 |
1 |
SO3F6N7H27C40 |
AB3C6D7E27F40 |
-196.8 |
6.57 |
-8.7 |
-1.3 |
0 |
|
|
446816 |
135277934 |
1 |
BrFN3O4C21H23 |
ABC3D4E21F23 |
-155.73 |
4.14 |
-9.27 |
-0.8 |
0 |
|
|
446817 |
135277964 |
1 |
N2O3H18C21 |
A2B3C18D21 |
-53.59 |
5.7 |
-9.04 |
-0.7 |
0 |
|
|
446818 |
135277976 |
1 |
NC9O9H15 |
AB9C9D15 |
-390.0 |
2.62 |
-10.29 |
-0.62 |
0 |
|
|
446819 |
135277983 |
1 |
SO2F3N4H15C19 |
AB2C3D4E15F19 |
-133.37 |
10.87 |
-9.48 |
-1.74 |
0 |
|
|
446820 |
135277994 |
1 |
N3O5C25H49 |
A3B5C25D49 |
-303.85 |
1.98 |
-9.15 |
0.86 |
0 |
|
|
446821 |
135277996 |
2 |
O3N4C21H27 |
A3B4C21D27 |
-208.25 |
13.09 |
-9.06 |
-1.66 |
0 |
|
|
446822 |
135277999 |
1 |
FON4H11C14 |
ABC4D11E14 |
-6.82 |
3.39 |
-8.91 |
-0.68 |
0 |
|
|
446823 |
135278008 |
2 |
N3O4C18H31 |
A3B4C18D31 |
-372.62 |
8.31 |
-8.67 |
-0.82 |
0 |
|
|
446824 |
135278015 |
1 |
SN3O5C26H51 |
AB3C5D26E51 |
-297.84 |
7.45 |
-8.75 |
0.57 |
0 |
|
|
446825 |
135278024 |
1 |
N6O11C36H54 |
A6B11C36D54 |
-410.61 |
4.23 |
-8.37 |
-1.1 |
0 |
|
|
446826 |
135278026 |
1 |
ON5C28H31 |
AB5C28D31 |
103.14 |
11.05 |
-9.14 |
-0.84 |
0 |
|
|
446827 |
135278039 |
1 |
NI3O3H12C15 |
AB3C3D12E15 |
-13.02 |
10.38 |
-9.44 |
-2.06 |
0 |
|
|
446828 |
135278041 |
1 |
SN9O10C53H85 |
AB9C10D53E85 |
-452.71 |
3.6 |
-8.65 |
-1.54 |
0 |
|
|
446829 |
135278046 |
1 |
N2O5C28H46 |
A2B5C28D46 |
-255.18 |
3.08 |
-9.03 |
0.24 |
0 |
|
|
446830 |
135278050 |
2 |
NC13H19 |
AB13C19 |
35.28 |
2.89 |
-7.91 |
0.61 |
0 |
|
|
446831 |
135278061 |
2 |
F2C9H11 |
A2B9C11 |
-155.16 |
3.72 |
-9.04 |
-0.6 |
0 |
|
|
446832 |
135278070 |
1 |
N4O8C35H60 |
A4B8C35D60 |
-407.13 |
4.33 |
-9.28 |
-1.53 |
0 |
|
|
446833 |
135278074 |
1 |
N2C41H62 |
A2B41C62 |
138.31 |
5.48 |
-8.62 |
-0.12 |
0 |
|
|
446834 |
135278076 |
1 |
NC19H25 |
AB19C25 |
36.26 |
2.17 |
-8.03 |
0.33 |
0 |
|
|
446835 |
135278078 |
1 |
N2C13H26 |
A2B13C26 |
-18.74 |
1.86 |
-8.32 |
1.04 |
0 |
|
|
446836 |
135278081 |
1 |
NOC12H17 |
ABC12D17 |
-40.64 |
4.26 |
-8.96 |
0.26 |
0 |
|
|
446838 |
135278088 |
1 |
NC18H33 |
AB18C33 |
-24.14 |
2.63 |
-9.28 |
0.82 |
0 |
|
|
446839 |
135278089 |
1 |
N3P3O6C58H58 |
A3B3C6D58E58 |
-212.41 |
3.84 |
-8.33 |
0.06 |
0 |
|
|
446840 |
135278094 |
1 |
F3N3C28H32 |
A3B3C28D32 |
-76.14 |
7.69 |
-9.37 |
-0.7 |
0 |
|
|
446841 |
135278132 |
1 |
ClNC16H22 |
ABC16D22 |
6.62 |
4.59 |
-9.16 |
0.1 |
0 |
|
|
446842 |
135278154 |
1 |
N3O6C24H29 |
A3B6C24D29 |
-226.0 |
2.39 |
-9.39 |
-0.92 |
0 |
|
|
446843 |
135278166 |
1 |
FSN2O5C40H41 |
ABC2D5E40F41 |
-156.92 |
2.02 |
-8.38 |
-0.53 |
0 |
|
|
446844 |
135278167 |
1 |
FN2O6C27H37 |
AB2C6D27E37 |
-277.08 |
5.58 |
-8.36 |
0.01 |
0 |
|
|
446845 |
135278170 |
1 |
NO3C14H21 |
AB3C14D21 |
-111.19 |
5.17 |
-7.92 |
0.33 |
0 |
|
|
446846 |
135278177 |
1 |
BrSN2O5H37C43 |
ABC2D5E37F43 |
-28.85 |
11.19 |
-8.61 |
-1.04 |
0 |
|
|
446847 |
135278179 |
1 |
BrNSO3H28C32 |
ABCD3E28F32 |
-2.99 |
5.7 |
-8.43 |
-0.92 |
0 |
|
|
446848 |
135278190 |
1 |
FNSO7C33H36 |
ABCD7E33F36 |
-250.3 |
8.29 |
-8.41 |
-0.84 |
0 |
|
|
446849 |
135278200 |
1 |
BrNO4C20H28 |
ABC4D20E28 |
-180.77 |
5.41 |
-8.62 |
-0.4 |
0 |
|
|
446850 |
135278205 |
1 |
BrNSO2H28C32 |
ABCD2E28F32 |
32.76 |
5.13 |
-8.48 |
-0.95 |
0 |
|
|
446851 |
135278210 |
1 |
ClON2C12H23 |
ABC2D12E23 |
-66.43 |
2.93 |
-8.31 |
0.81 |
0 |
|
|
446852 |
135278211 |
1 |
BrN2O3C26H39 |
AB2C3D26E39 |
-91.04 |
4.24 |
-8.21 |
-0.53 |
0 |
|
|
446853 |
135278213 |
1 |
ClS2N4O10C51H57 |
AB2C4D10E51F57 |
-311.66 |
7.63 |
-8.47 |
-0.92 |
0 |
|
|
446854 |
135278227 |
1 |
BrSN4O7H43C45 |
ABC4D7E43F45 |
-171.76 |
8.3 |
-8.5 |
-1.69 |
0 |
|
|
446855 |
135278230 |
1 |
BrSN5O7H40C43 |
ABC5D7E40F43 |
-141.25 |
10.7 |
-8.65 |
-1.44 |
0 |
|
|
446856 |
135278235 |
1 |
N3P3O12H34C38 |
A3B3C12D34E38 |
-480.12 |
0.95 |
-8.66 |
-0.25 |
0 |
|
|
446857 |
135278249 |
1 |
N2O2F3H13C15 |
A2B2C3D13E15 |
-210.11 |
7.94 |
-9.02 |
-0.84 |
0 |
|
|
446858 |
135278275 |
1 |
ClO2N3H10C14 |
AB2C3D10E14 |
-16.99 |
3.51 |
-9.21 |
-1.14 |
0 |
|
|
446859 |
135278280 |
1 |
FS2N6O7H55C56 |
AB2C6D7E55F56 |
-164.59 |
5.78 |
-8.64 |
-1.04 |
0 |
|
|
446860 |
135278295 |
1 |
FS2N4O9C51H57 |
AB2C4D9E51F57 |
-324.49 |
9.05 |
-8.48 |
-0.91 |
0 |
|
|
446861 |
135278299 |
1 |
NO4C12H23 |
AB4C12D23 |
-197.98 |
4.92 |
-9.28 |
0.37 |
0 |
|
|
446862 |
135278316 |
1 |
BrS2N6O9C53H61 |
AB2C6D9E53F61 |
-252.73 |
9.39 |
-8.4 |
-1.08 |
0 |
|
|
446863 |
135278324 |
1 |
ClFN3H11C18 |
ABC3D11E18 |
81.13 |
2.34 |
-7.84 |
-1.88 |
0 |
|
|
446864 |
135278352 |
1 |
NSO3H25C26 |
ABC3D25E26 |
-40.83 |
1.22 |
-8.19 |
-0.65 |
0 |
|
|
446865 |
135278354 |
1 |
BrSO6H35C36 |
ABC6D35E36 |
-122.91 |
7.16 |
-8.37 |
-0.87 |
0 |
|
|
446866 |
135278356 |
1 |
BrSN2O5C33H35 |
ABC2D5E33F35 |
-126.66 |
7.29 |
-8.48 |
-1.0 |
0 |
|
|
446867 |
135278358 |
1 |
BrS2N6O8C53H61 |
AB2C6D8E53F61 |
-214.37 |
8.98 |
-8.57 |
-1.07 |
0 |
|
|
446868 |
135278359 |
1 |
BrS2N6O8C54H63 |
AB2C6D8E54F63 |
-216.87 |
14.45 |
-8.54 |
-1.09 |
0 |
|
|
446869 |
135278360 |
1 |
N2O3C12H18 |
A2B3C12D18 |
-144.31 |
5.4 |
-10.13 |
-0.37 |
0 |
|
|
446870 |
135278375 |
1 |
ClFSN4O8C50H58 |
ABCD4E8F50G58 |
-329.52 |
4.84 |
-8.47 |
-0.89 |
0 |
|
|
446871 |
135278380 |
1 |
FNO2C19H22 |
ABC2D19E22 |
-88.39 |
1.68 |
-8.1 |
-0.08 |
0 |
|
|
446872 |
135278383 |
1 |
ClFSN5O7H49C51 |
ABCD5E7F49G51 |
-197.47 |
5.98 |
-8.49 |
-0.95 |
0 |
|
|
446873 |
135278385 |
1 |
N2O5C28H38 |
A2B5C28D38 |
-172.23 |
5.04 |
-8.5 |
-0.12 |
0 |
|
|
446874 |
135278389 |
1 |
NO5C23H29 |
AB5C23D29 |
-162.41 |
4.31 |
-8.44 |
-0.07 |
0 |
|
|
446875 |
135278393 |
1 |
BrSO5H25C32 |
ABC5D25E32 |
-60.54 |
4.89 |
-8.45 |
-0.92 |
0 |
|
|
446876 |
135278399 |
1 |
BrSN4O6H37C41 |
ABC4D6E37F41 |
-115.13 |
8.59 |
-8.62 |
-1.06 |
0 |
|
|
446877 |
135278402 |
1 |
SF3N5O6H44C45 |
AB3C5D6E44F45 |
-289.11 |
9.66 |
-8.73 |
-1.25 |
0 |
|
|
446878 |
135278409 |
1 |
BrSN5O7H42C44 |
ABC5D7E42F44 |
-155.73 |
9.41 |
-8.54 |
-1.48 |
0 |
|
|
446879 |
135278417 |
1 |
BrN2O4C16H17 |
AB2C4D16E17 |
-148.97 |
4.84 |
-9.61 |
-0.73 |
0 |
|
|
446880 |
135278439 |
1 |
O7C20H32 |
A7B20C32 |
-301.7 |
5.61 |
-8.04 |
0.37 |
0 |
|
|
446881 |
135278443 |
1 |
BrSO6C37H39 |
ABC6D37E39 |
-143.97 |
6.25 |
-8.33 |
-0.82 |
0 |
|
|
446882 |
135278450 |
1 |
BrSO5C27H27 |
ABC5D27E27 |
-117.57 |
7.44 |
-8.31 |
-0.84 |
0 |
|
|
446883 |
135278452 |
1 |
N2O3C13H18 |
A2B3C13D18 |
-113.11 |
7.69 |
-9.85 |
-0.09 |
0 |
|
|
446884 |
135278453 |
1 |
N2O3C10H12 |
A2B3C10D12 |
-101.18 |
2.56 |
-10.38 |
-0.55 |
0 |
|
|
446885 |
135278455 |
1 |
BrNSO2H18C23 |
ABCD2E18F23 |
29.54 |
3.7 |
-8.67 |
-1.05 |
0 |
|
|
446886 |
135278456 |
1 |
BrFOH14C18 |
ABCD14E18 |
-17.85 |
3.13 |
-8.64 |
-0.51 |
0 |
|
|
446887 |
135278457 |
1 |
BrOC10H11 |
ABC10D11 |
-12.84 |
3.2 |
-8.89 |
-0.27 |
0 |
|
|
446888 |
135278460 |
1 |
O4N5C20H25 |
A4B5C20D25 |
-138.8 |
11.97 |
-9.01 |
-1.3 |
0 |
|
|
446889 |
135278478 |
1 |
BrClSN5O8C48H51 |
ABCD5E8F48G51 |
-178.1 |
8.87 |
-8.49 |
-0.95 |
0 |
|
|
446890 |
135278480 |
1 |
BrSN6O8C49H51 |
ABC6D8E49F51 |
-127.81 |
7.67 |
-8.56 |
-1.01 |
0 |
|
|
446891 |
135278484 |
1 |
OSN6H26C28 |
ABC6D26E28 |
134.33 |
3.86 |
-8.46 |
-1.89 |
0 |
|
|
446892 |
135278494 |
1 |
OSN6H28C30 |
ABC6D28E30 |
134.63 |
4.15 |
-8.44 |
-1.86 |
0 |
|
|
446893 |
135278495 |
1 |
FN6C14H15 |
AB6C14D15 |
49.12 |
10.3 |
-9.82 |
-1.1 |
0 |
|
|
446894 |
135278526 |
1 |
F2O2N7C27H27 |
A2B2C7D27E27 |
-20.73 |
8.36 |
-7.7 |
-1.17 |
0 |
|
|
446895 |
135278533 |
1 |
O3N6C24H32 |
A3B6C24D32 |
-44.28 |
4.25 |
-8.82 |
-0.81 |
0 |
|
|
446896 |
135278550 |
1 |
OF2N7H25C26 |
AB2C7D25E26 |
0.78 |
4.48 |
-8.11 |
-0.97 |
0 |
|
|
446897 |
135278554 |
1 |
ON5C18H25 |
AB5C18D25 |
42.56 |
4.77 |
-8.98 |
0.25 |
0 |
|
|
446898 |
135278561 |
1 |
OF5N7H22C26 |
AB5C7D22E26 |
-151.24 |
3.67 |
-8.56 |
-0.78 |
0 |
|
|
446899 |
135278567 |
1 |
OF2N7H25C26 |
AB2C7D25E26 |
-0.37 |
3.72 |
-8.57 |
-1.07 |
0 |
|
|
446900 |
135278579 |
1 |
SF2N2O4C21H22 |
AB2C2D4E21F22 |
-158.38 |
5.23 |
-8.56 |
-0.83 |
0 |
|
|
446901 |
135278624 |
1 |
SF2N2O4H22C24 |
AB2C2D4E22F24 |
-122.7 |
4.31 |
-8.69 |
-1.01 |
0 |