List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
324896 |
126678557 |
2 |
NO2C10H14 |
AB2C10D14 |
-175.35 |
5.23 |
-9.56 |
0.13 |
0 |
|
|
324897 |
126678558 |
1 |
N2O5C19H26 |
A2B5C19D26 |
-206.69 |
2.98 |
-9.1 |
-0.33 |
0 |
|
|
324898 |
126678562 |
1 |
N2O4C21H32 |
A2B4C21D32 |
-200.33 |
8.18 |
-9.68 |
-0.21 |
0 |
|
|
324899 |
126678565 |
1 |
N3O4C20H23 |
A3B4C20D23 |
-136.83 |
4.78 |
-9.47 |
-1.18 |
0 |
|
|
324900 |
126678566 |
2 |
NO2C10H15 |
AB2C10D15 |
-201.89 |
2.94 |
-9.62 |
-0.32 |
0 |
|
|
324902 |
126678568 |
1 |
NO3C17H35 |
AB3C17D35 |
-196.6 |
3.04 |
-9.64 |
0.96 |
0 |
|
|
324903 |
126678570 |
1 |
N2O5C18H24 |
A2B5C18D24 |
-205.02 |
5.13 |
-9.29 |
-0.69 |
0 |
|
|
324904 |
126678571 |
1 |
N4O4C15H22 |
A4B4C15D22 |
-153.02 |
7.15 |
-9.84 |
-0.4 |
0 |
|
|
324905 |
126678573 |
1 |
SN3O4C15H21 |
AB3C4D15E21 |
-165.45 |
8.67 |
-9.82 |
-1.16 |
0 |
|
|
324906 |
126678575 |
1 |
NO4C27H47 |
AB4C27D47 |
-253.23 |
8.6 |
-9.94 |
0.43 |
0 |
|
|
324907 |
126678579 |
1 |
ON2C23H28 |
AB2C23D28 |
27.98 |
7.49 |
-8.26 |
-0.46 |
0 |
|
|
324908 |
126678582 |
1 |
N3O5C22H31 |
A3B5C22D31 |
-202.4 |
5.1 |
-8.6 |
-0.14 |
0 |
|
|
324909 |
126678583 |
4 |
NOC4H6 |
ABC4D6 |
-150.75 |
3.74 |
-9.63 |
0.02 |
0 |
|
|
324910 |
126678586 |
1 |
ClFO5N6C24H34 |
ABC5D6E24F34 |
-257.96 |
4.9 |
-9.16 |
-0.43 |
0 |
|
|
324911 |
126678587 |
1 |
SN3O4C16H23 |
AB3C4D16E23 |
-160.89 |
1.41 |
-9.55 |
-0.82 |
0 |
|
|
324912 |
126678595 |
1 |
N7O7C43H79 |
A7B7C43D79 |
-347.25 |
12.57 |
-9.03 |
-0.15 |
0 |
|
|
324913 |
126678602 |
1 |
FSO4N7C22H34 |
ABC4D7E22F34 |
-197.48 |
4.18 |
-9.19 |
-1.03 |
0 |
|
|
324914 |
126678610 |
1 |
FO6N7C32H50 |
AB6C7D32E50 |
-315.47 |
4.07 |
-9.11 |
-0.34 |
0 |
|
|
324915 |
126678618 |
1 |
SN2O7C14H24 |
AB2C7D14E24 |
-310.17 |
4.15 |
-9.28 |
-0.02 |
0 |
|
|
324916 |
126678620 |
1 |
N3S3O6C31H47 |
A3B3C6D31E47 |
-269.62 |
8.63 |
-8.28 |
-0.1 |
0 |
|
|
324917 |
126678621 |
1 |
N3S3O7C26H43 |
A3B3C7D26E43 |
-345.36 |
10.64 |
-8.32 |
-0.13 |
0 |
|
|
324918 |
126678622 |
1 |
NSO5C11H19 |
ABC5D11E19 |
-223.47 |
2.5 |
-9.16 |
0.02 |
0 |
|
|
324919 |
126678632 |
1 |
NOC7H15 |
ABC7D15 |
-31.51 |
2.37 |
-9.02 |
2.2 |
0 |
|
|
324920 |
126678641 |
1 |
SO3F6N6H24C29 |
AB3C6D6E24F29 |
-322.44 |
4.7 |
-9.0 |
-1.13 |
0 |
|
|
324921 |
126678642 |
1 |
N2O3C10H18 |
A2B3C10D18 |
-122.53 |
4.5 |
-9.73 |
-0.03 |
0 |
|
|
324922 |
126678652 |
1 |
SN2C14H26 |
AB2C14D26 |
24.82 |
3.57 |
-8.45 |
-0.34 |
0 |
|
|
324923 |
126678654 |
1 |
N3C18H23 |
A3B18C23 |
32.9 |
1.87 |
-7.66 |
0.15 |
0 |
|
|
324924 |
126678669 |
1 |
S2N3O7C22H35 |
A2B3C7D22E35 |
-333.5 |
3.89 |
-9.13 |
-1.09 |
0 |
|
|
324925 |
126678682 |
1 |
N2O2C13H14 |
A2B2C13D14 |
-38.28 |
5.63 |
-8.76 |
-0.64 |
0 |
|
|
324926 |
126678686 |
1 |
N2C21H30 |
A2B21C30 |
20.85 |
0.56 |
-7.66 |
0.32 |
0 |
|
|
324927 |
126678690 |
1 |
O2N6C27H34 |
A2B6C27D34 |
6.48 |
5.54 |
-8.33 |
-0.79 |
0 |
|
|
324928 |
126678702 |
1 |
SO2N3C17H25 |
AB2C3D17E25 |
-7.51 |
4.67 |
-8.08 |
0.13 |
0 |
|
|
324929 |
126678722 |
2 |
ON3C12H15 |
AB3C12D15 |
17.55 |
6.46 |
-8.6 |
-0.68 |
0 |
|
|
324930 |
126678725 |
1 |
O3N4C26H30 |
A3B4C26D30 |
-42.35 |
4.01 |
-8.59 |
-0.73 |
0 |
|
|
324931 |
126678743 |
1 |
FO2N5C28H34 |
AB2C5D28E34 |
-50.44 |
7.36 |
-8.36 |
-0.61 |
0 |
|
|
324932 |
126678744 |
1 |
O2N5C27H33 |
A2B5C27D33 |
0.96 |
4.34 |
-8.24 |
-0.56 |
0 |
|
|
324933 |
126678746 |
1 |
N8O9H44C50 |
A8B9C44D50 |
-63.2 |
2.32 |
-8.66 |
-1.09 |
0 |
|
|
324934 |
126678749 |
2 |
N2O3C8H14 |
A2B3C8D14 |
-262.57 |
3.24 |
-9.42 |
-0.88 |
0 |
|
|
324935 |
126678752 |
1 |
O3N5C27H33 |
A3B5C27D33 |
-29.54 |
9.71 |
-8.09 |
-0.46 |
0 |
|
|
324936 |
126678801 |
1 |
O2N5C29H35 |
A2B5C29D35 |
25.37 |
7.25 |
-8.12 |
-0.52 |
0 |
|
|
324937 |
126678802 |
1 |
O2N5C29H37 |
A2B5C29D37 |
-9.77 |
6.77 |
-8.13 |
-0.67 |
0 |
|
|
324938 |
126678823 |
1 |
O2N5C18H19 |
A2B5C18D19 |
24.49 |
5.46 |
-8.51 |
-0.45 |
0 |
|
|
324939 |
126678827 |
1 |
OF2N5C29H35 |
AB2C5D29E35 |
-81.89 |
7.66 |
-8.16 |
-0.71 |
0 |
|
|
324940 |
126678838 |
1 |
F3O3N6H15C19 |
A3B3C6D15E19 |
-133.35 |
4.87 |
-8.98 |
-0.97 |
0 |
|
|
324941 |
126678839 |
1 |
SO2F3N6H15C19 |
AB2C3D6E15F19 |
-90.19 |
4.84 |
-8.8 |
-1.1 |
0 |
|
|
324942 |
126678842 |
1 |
O2N7C22H27 |
A2B7C22D27 |
34.27 |
7.76 |
-8.29 |
-1.35 |
0 |
|
|
324943 |
126678855 |
1 |
IOF2N8H13C15 |
ABC2D8E13F15 |
44.2 |
7.55 |
-8.4 |
-2.01 |
0 |
|
|
324944 |
126678857 |
1 |
N5C12H15 |
A5B12C15 |
64.91 |
3.63 |
-8.36 |
0.1 |
0 |
|
|
324945 |
126678879 |
1 |
ON8C14H16 |
AB8C14D16 |
91.57 |
4.94 |
-8.59 |
-1.09 |
0 |
|
|
324946 |
126678885 |
1 |
ClFON5C15H15 |
ABCD5E15F15 |
5.09 |
6.13 |
-8.89 |
-0.76 |
0 |