List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
215922 |
85085447 |
1 |
NO3C10H13 |
AB3C10D13 |
-132.98 |
3.38 |
-10.31 |
0.22 |
0 |
|
|
215923 |
85085448 |
2 |
NC6H9 |
AB6C9 |
33.63 |
2.7 |
-8.15 |
0.55 |
0 |
|
|
215924 |
85085449 |
1 |
SO2H4N4C6 |
AB2C4D4E6 |
72.52 |
2.48 |
-9.44 |
-1.16 |
0 |
|
|
215925 |
85085450 |
1 |
N2O3C9H12 |
A2B3C9D12 |
0.3 |
4.24 |
-10.3 |
-1.56 |
0 |
|
|
215926 |
85085451 |
1 |
O3C11H16 |
A3B11C16 |
-100.98 |
5.89 |
-10.13 |
-0.45 |
0 |
|
|
215927 |
85085452 |
2 |
OC6H10 |
AB6C10 |
-119.06 |
3.63 |
-9.78 |
0.89 |
0 |
|
|
215928 |
85085453 |
1 |
ON2C11H20 |
AB2C11D20 |
-31.13 |
4.18 |
-8.52 |
0.81 |
0 |
|
|
215929 |
85085455 |
1 |
OC13H24 |
AB13C24 |
-88.36 |
2.03 |
-9.68 |
1.15 |
0 |
|
|
215930 |
85085456 |
1 |
OSiC11H20 |
ABC11D20 |
-86.83 |
3.27 |
-9.35 |
0.5 |
0 |
|
|
215931 |
85085457 |
1 |
BrO3C5H9 |
AB3C5D9 |
-144.04 |
3.64 |
-10.79 |
-1.04 |
0 |
|
|
215932 |
85085460 |
1 |
NSO2C9H11 |
ABC2D9E11 |
-48.43 |
6.44 |
-10.38 |
-0.7 |
0 |
|
|
215933 |
85085461 |
1 |
NO2C11H19 |
AB2C11D19 |
-106.11 |
4.78 |
-9.28 |
0.99 |
0 |
|
|
215934 |
85085462 |
1 |
NC14H15 |
AB14C15 |
45.76 |
3.82 |
-9.4 |
0.32 |
0 |
|
|
215935 |
85085463 |
1 |
NOC12H23 |
ABC12D23 |
-81.28 |
3.83 |
-9.68 |
0.91 |
0 |
|
|
215936 |
85085464 |
1 |
ClNO2H8C9 |
ABC2D8E9 |
-24.9 |
3.11 |
-9.86 |
-1.33 |
0 |
|
|
215937 |
85085465 |
2 |
O2C5H7 |
A2B5C7 |
-171.4 |
4.53 |
-10.37 |
-0.58 |
0 |
|
|
215938 |
85085470 |
1 |
SiO2C10H18 |
AB2C10D18 |
-138.8 |
4.1 |
-9.68 |
-0.39 |
0 |
|
|
215939 |
85085471 |
1 |
N3O3C8H15 |
A3B3C8D15 |
-144.5 |
5.3 |
-9.55 |
-0.15 |
0 |
|
|
215940 |
85085473 |
1 |
SO2N3C7H9 |
AB2C3D7E9 |
50.84 |
9.37 |
-8.9 |
-1.55 |
0 |
|
|
215941 |
85085474 |
1 |
NO3C10H17 |
AB3C10D17 |
-141.52 |
5.31 |
-9.4 |
0.77 |
0 |
|
|
215942 |
85085475 |
1 |
NO3C10H17 |
AB3C10D17 |
-146.02 |
2.97 |
-9.8 |
0.26 |
0 |
|
|
215943 |
85085480 |
1 |
O2H12C13 |
A2B12C13 |
51.18 |
2.48 |
-8.78 |
-0.38 |
0 |
|
|
215944 |
85085482 |
1 |
NOC13H15 |
ABC13D15 |
104.24 |
5.44 |
-8.18 |
-0.84 |
0 |
|
|
215945 |
85085483 |
1 |
NOC13H15 |
ABC13D15 |
32.38 |
3.68 |
-8.44 |
-0.08 |
0 |
|
|
215946 |
85085484 |
1 |
NC14H19 |
AB14C19 |
11.94 |
1.8 |
-8.58 |
0.5 |
0 |
|
|
215947 |
85085486 |
1 |
O2H12C13 |
A2B12C13 |
-29.41 |
5.39 |
-9.54 |
-1.02 |
0 |
|
|
215948 |
85085488 |
1 |
ON2C12H14 |
AB2C12D14 |
-12.52 |
4.04 |
-8.48 |
-0.15 |
0 |
|
|
215949 |
85085489 |
1 |
ON2C12H14 |
AB2C12D14 |
98.42 |
2.04 |
-9.51 |
0.55 |
0 |
|
|
215950 |
85085490 |
1 |
SO2C10H18 |
AB2C10D18 |
-97.5 |
4.98 |
-8.73 |
0.29 |
0 |
|
|
215951 |
85085491 |
1 |
SiO3C9H18 |
AB3C9D18 |
-169.69 |
3.42 |
-8.78 |
0.07 |
0 |
|
|
215952 |
85085492 |
1 |
BrC9H15 |
AB9C15 |
-11.97 |
4.61 |
-8.98 |
0.15 |
0 |
|
|
215953 |
85085493 |
1 |
NO3H9C11 |
AB3C9D11 |
-56.23 |
2.75 |
-8.76 |
-0.33 |
0 |
|
|
215954 |
85085494 |
1 |
NO3H9C11 |
AB3C9D11 |
-73.79 |
1.7 |
-10.33 |
-1.69 |
0 |
|
|
215955 |
85085495 |
1 |
FNO3C9H14 |
ABC3D9E14 |
-197.2 |
5.14 |
-10.32 |
0.41 |
0 |
|
|
215956 |
85085496 |
1 |
NO4C9H17 |
AB4C9D17 |
-196.4 |
2.93 |
-9.35 |
1.15 |
0 |
|
|
215957 |
85085502 |
3 |
OC4H4 |
AB4C4 |
-102.96 |
3.26 |
-9.73 |
-0.01 |
0 |
|
|
215958 |
85085503 |
2 |
NO2C4H8 |
AB2C4D8 |
-173.22 |
4.22 |
-9.33 |
1.31 |
0 |
|
|
215959 |
85085504 |
2 |
NO2C4H8 |
AB2C4D8 |
-188.97 |
1.06 |
-9.7 |
0.34 |
0 |
|
|
215960 |
85085506 |
1 |
ON2C12H16 |
AB2C12D16 |
4.26 |
3.82 |
-9.43 |
0.32 |
0 |
|
|
215961 |
85085509 |
1 |
OC14H20 |
AB14C20 |
-40.68 |
2.55 |
-9.24 |
0.49 |
0 |
|
|
215962 |
85085510 |
1 |
OC14H20 |
AB14C20 |
-51.39 |
1.87 |
-9.56 |
1.23 |
0 |
|
|
215963 |
85085514 |
1 |
NO2C12H15 |
AB2C12D15 |
-77.42 |
4.93 |
-9.62 |
0.01 |
0 |
|
|
215964 |
85085515 |
1 |
NOSeC7H12 |
ABCD7E12 |
-10.23 |
1.51 |
0.0 |
0.0 |
0 |
|
|
215965 |
85085516 |
1 |
SC6H6O6 |
AB6C6D6 |
-251.31 |
0.53 |
-10.5 |
-1.5 |
0 |
|
|
215966 |
85085517 |
1 |
O4H10C11 |
A4B10C11 |
-115.43 |
8.35 |
-9.87 |
-1.39 |
0 |
|
|
215967 |
85085518 |
1 |
O2N4H8C9 |
A2B4C8D9 |
86.58 |
5.06 |
-7.96 |
-2.34 |
0 |
|
|
215968 |
85085519 |
1 |
ON4C10H14 |
AB4C10D14 |
23.64 |
3.81 |
-10.51 |
-1.47 |
0 |
|
|
215969 |
85085520 |
1 |
O2C13H18 |
A2B13C18 |
-97.05 |
3.99 |
-9.47 |
-0.14 |
0 |
|
|
215970 |
85085521 |
1 |
OSC12H14 |
ABC12D14 |
-2.13 |
1.27 |
-8.82 |
-0.26 |
0 |
|
|
215971 |
85085524 |
1 |
OC14H22 |
AB14C22 |
-85.57 |
3.63 |
-9.75 |
0.88 |
0 |