List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
319878 |
126657445 |
1 |
ClN2O10C48H61 |
AB2C10D48E61 |
-433.59 |
6.07 |
-8.44 |
-0.72 |
0 |
|
|
319879 |
126657446 |
2 |
O2C5H10 |
A2B5C10 |
-227.15 |
2.52 |
-10.54 |
0.52 |
0 |
|
|
319880 |
126657447 |
1 |
F3O3N6C21H25 |
A3B3C6D21E25 |
-188.64 |
5.55 |
-8.91 |
-1.38 |
0 |
|
|
319881 |
126657449 |
1 |
SF3N3O3C24H38 |
AB3C3D3E24F38 |
-295.52 |
7.83 |
-8.72 |
-0.69 |
0 |
|
|
319882 |
126657452 |
2 |
SC4H5 |
AB4C5 |
30.88 |
0.9 |
-8.33 |
-0.3 |
0 |
|
|
319883 |
126657464 |
1 |
BrNOC4H6 |
ABCD4E6 |
-17.04 |
2.71 |
-9.28 |
-1.16 |
0 |
|
|
319884 |
126657466 |
1 |
NO8C12H25 |
AB8C12D25 |
-375.68 |
1.28 |
-9.92 |
0.56 |
0 |
|
|
319885 |
126657467 |
1 |
NO9C61H69 |
AB9C61D69 |
-247.87 |
3.41 |
-9.13 |
0.12 |
0 |
|
|
319887 |
126657469 |
1 |
OPC7H9 |
ABC7D9 |
-28.45 |
2.2 |
-8.62 |
0.14 |
0 |
|
|
319889 |
126657475 |
1 |
O3C11H12 |
A3B11C12 |
-107.61 |
2.91 |
-9.56 |
-0.54 |
0 |
|
|
319890 |
126657477 |
1 |
NOC19H23 |
ABC19D23 |
13.06 |
2.92 |
-9.39 |
0.22 |
0 |
|
|
319893 |
126657495 |
1 |
ON7C20H23 |
AB7C20D23 |
80.96 |
4.33 |
-8.95 |
-1.56 |
0 |
|
|
319895 |
126657507 |
1 |
N6C23H28 |
A6B23C28 |
96.88 |
8.82 |
-8.26 |
-1.04 |
0 |
|
|
319896 |
126657509 |
1 |
N6C23H28 |
A6B23C28 |
94.82 |
9.41 |
-8.23 |
-1.04 |
0 |
|
|
319897 |
126657512 |
1 |
NO9C51H103 |
AB9C51D103 |
-624.99 |
8.38 |
-10.21 |
0.59 |
0 |
|
|
319898 |
126657514 |
1 |
O2N9C24H25 |
A2B9C24D25 |
115.63 |
10.25 |
-8.75 |
-2.34 |
0 |
|
|
319900 |
126657526 |
1 |
ON9H25C27 |
AB9C25D27 |
159.83 |
4.29 |
-8.81 |
-2.48 |
0 |
|
|
319901 |
126657530 |
1 |
NO3C9H17 |
AB3C9D17 |
-132.56 |
1.86 |
-9.46 |
0.8 |
0 |
|
|
319903 |
126657535 |
1 |
OF3N7C21H22 |
AB3C7D21E22 |
-73.93 |
1.41 |
-8.99 |
-1.98 |
0 |
|
|
319905 |
126657540 |
1 |
O2N7C20H21 |
A2B7C20D21 |
58.46 |
5.77 |
-8.84 |
-1.45 |
0 |
|
|
319908 |
126657550 |
1 |
FSO3N8C31H31 |
ABC3D8E31F31 |
7.68 |
2.31 |
-8.66 |
-2.15 |
0 |
|
|
319909 |
126657551 |
1 |
ON8H28C29 |
AB8C28D29 |
145.27 |
7.37 |
-8.53 |
-2.02 |
0 |
|
|
319910 |
126657555 |
1 |
ON9H23C26 |
AB9C23D26 |
190.17 |
8.33 |
-8.56 |
-2.24 |
0 |
|
|
319911 |
126657559 |
1 |
OSN7H25C27 |
ABC7D25E27 |
146.83 |
3.57 |
-8.6 |
-2.1 |
0 |
|
|
319912 |
126657561 |
2 |
ON4H14C16 |
AB4C14D16 |
114.64 |
7.33 |
-8.52 |
-2.04 |
0 |
|
|
319913 |
126657563 |
1 |
O3N8H28C32 |
A3B8C28D32 |
75.22 |
0.92 |
-8.59 |
-2.1 |
0 |
|
|
319915 |
126657566 |
1 |
ON9H23C26 |
AB9C23D26 |
168.78 |
4.3 |
-8.84 |
-2.37 |
0 |
|
|
319916 |
126657570 |
1 |
NSO4C14H21 |
ABC4D14E21 |
-143.52 |
5.89 |
-9.32 |
-0.64 |
0 |
|
|
319917 |
126657571 |
1 |
ON8C30H32 |
AB8C30D32 |
152.6 |
4.14 |
-8.01 |
-1.92 |
0 |
|
|
319918 |
126657580 |
1 |
SO2N7H29C30 |
AB2C7D29E30 |
94.14 |
8.15 |
-8.69 |
-2.2 |
0 |
|
|
319919 |
126657583 |
1 |
O2F3N5C27H30 |
A2B3C5D27E30 |
-145.71 |
7.5 |
-8.83 |
-1.44 |
0 |
|
|
319920 |
126657589 |
1 |
OSN8H30C31 |
ABC8D30E31 |
198.81 |
4.54 |
-8.29 |
-1.93 |
0 |
|
|
319921 |
126657591 |
1 |
FN8H25C27 |
AB8C25D27 |
169.88 |
10.34 |
-8.42 |
-2.26 |
0 |
|
|
319922 |
126657596 |
1 |
N2O3C11H20 |
A2B3C11D20 |
-156.53 |
3.0 |
-9.44 |
0.21 |
0 |
|
|
319924 |
126657605 |
1 |
NO4C17H23 |
AB4C17D23 |
-127.96 |
3.85 |
-8.24 |
-0.58 |
0 |
|
|
319925 |
126657606 |
1 |
FNC13H22 |
ABC13D22 |
-71.86 |
3.04 |
-8.29 |
1.27 |
0 |
|
|
319926 |
126657607 |
1 |
FON8H23C27 |
ABC8D23E27 |
111.82 |
4.81 |
-8.84 |
-2.32 |
0 |
|
|
319927 |
126657610 |
1 |
ON7H21C22 |
AB7C21D22 |
123.84 |
6.28 |
-8.49 |
-1.96 |
0 |
|
|
319928 |
126657611 |
1 |
OSN8H16C28 |
ABC8D16E28 |
235.96 |
8.08 |
-8.47 |
-2.44 |
0 |
|
|
319929 |
126657612 |
2 |
NO2C10H12 |
AB2C10D12 |
-144.21 |
7.77 |
-9.22 |
-0.35 |
0 |
|
|
319930 |
126657613 |
1 |
ON9H21C26 |
AB9C21D26 |
201.21 |
11.7 |
-8.69 |
-2.27 |
0 |
|
|
319931 |
126657615 |
1 |
FO3N7H26C27 |
AB3C7D26E27 |
-10.1 |
2.7 |
-8.14 |
-0.82 |
0 |
|
|
319932 |
126657617 |
1 |
SO2N8H28C29 |
AB2C8D28E29 |
106.27 |
14.22 |
-8.84 |
-2.42 |
0 |
|
|
319934 |
126657625 |
1 |
ON2C9H18 |
AB2C9D18 |
-59.8 |
3.43 |
-7.89 |
0.68 |
0 |
|
|
319936 |
126657627 |
1 |
SN2O2F3H15C19 |
AB2C2D3E15F19 |
-149.66 |
6.54 |
-8.99 |
-1.29 |
0 |
|
|
319937 |
126657632 |
1 |
FN5C17H24 |
AB5C17D24 |
18.5 |
2.6 |
-8.16 |
0.02 |
0 |
|
|
319938 |
126657633 |
1 |
SN5O8H29C35 |
AB5C8D29E35 |
-157.32 |
7.96 |
-8.22 |
-1.16 |
0 |
|
|
319939 |
126657635 |
1 |
O4C23H24 |
A4B23C24 |
-21.08 |
1.52 |
-8.94 |
-0.78 |
0 |
|
|
319940 |
126657636 |
1 |
IN2H25C31 |
AB2C25D31 |
129.69 |
2.31 |
-8.98 |
-1.06 |
0 |
|
|
319942 |
126657639 |
1 |
N2O4C17H30 |
A2B4C17D30 |
-210.43 |
2.4 |
-9.09 |
0.37 |
0 |