List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
209920 |
80739236 |
1 |
ClNOS2C12H12 |
ABCD2E12F12 |
-10.18 |
5.27 |
-8.75 |
-1.24 |
0 |
|
|
209921 |
80739237 |
1 |
FS2N3H8C14 |
AB2C3D8E14 |
59.58 |
2.56 |
-8.46 |
-1.28 |
0 |
|
|
209922 |
80739238 |
1 |
BrNOS2C12H14 |
ABCD2E12F14 |
-6.0 |
4.38 |
-8.64 |
-1.09 |
0 |
|
|
209923 |
80739239 |
1 |
ClFON2H12C13 |
ABCD2E12F13 |
-53.7 |
1.83 |
-8.44 |
-0.53 |
0 |
|
|
209924 |
80739240 |
1 |
BrNOS2H8C13 |
ABCD2E8F13 |
43.26 |
5.2 |
-8.66 |
-1.21 |
0 |
|
|
209925 |
80739241 |
1 |
O2S2N3H7C8 |
A2B2C3D7E8 |
-12.06 |
2.0 |
-8.87 |
-1.39 |
0 |
|
|
209926 |
80739392 |
1 |
ON3C14H25 |
AB3C14D25 |
-46.95 |
1.17 |
-8.18 |
0.98 |
0 |
|
|
209927 |
80739482 |
1 |
ON3C15H25 |
AB3C15D25 |
-45.82 |
4.09 |
-8.03 |
1.09 |
0 |
|
|
209928 |
80739688 |
1 |
NOS2C15H15 |
ABC2D15E15 |
22.18 |
3.47 |
-8.59 |
-0.77 |
0 |
|
|
209929 |
80739800 |
1 |
BrNO2S2H10C14 |
ABC2D2E10F14 |
59.73 |
3.93 |
-8.87 |
-1.44 |
0 |
|
|
209930 |
80740353 |
1 |
BrN2O2C16H19 |
AB2C2D16E19 |
-46.87 |
3.12 |
-8.23 |
-0.18 |
0 |
|
|
209931 |
80740354 |
1 |
FN2O2C16H19 |
AB2C2D16E19 |
-97.56 |
2.73 |
-8.18 |
-0.1 |
0 |
|
|
209932 |
80740355 |
1 |
O2N3C13H21 |
A2B3C13D21 |
-82.56 |
5.35 |
-8.42 |
0.59 |
0 |
|
|
209933 |
80740807 |
1 |
NO2C16H23 |
AB2C16D23 |
-92.9 |
4.9 |
-9.1 |
0.04 |
0 |
|
|
209934 |
80741138 |
1 |
N2O2C15H22 |
A2B2C15D22 |
-94.38 |
3.56 |
-9.24 |
-0.12 |
0 |
|
|
209935 |
80741549 |
1 |
SN2O2C14H18 |
AB2C2D14E18 |
-77.27 |
0.6 |
-8.87 |
-0.39 |
0 |
|
|
209936 |
80741562 |
1 |
NSO2C14H15 |
ABC2D14E15 |
-48.85 |
4.45 |
-9.02 |
-0.19 |
0 |
|
|
209937 |
80741563 |
1 |
NO2C13H15 |
AB2C13D15 |
-42.49 |
4.18 |
-9.26 |
-0.13 |
0 |
|
|
209938 |
80741638 |
1 |
ClN3S3O4H8C9 |
AB3C3D4E8F9 |
-24.18 |
4.41 |
-9.4 |
-2.09 |
0 |
|
|
209939 |
80741696 |
1 |
ClS2N4O4C9H9 |
AB2C4D4E9F9 |
-10.91 |
4.74 |
-9.37 |
-2.22 |
0 |
|
|
209940 |
80741783 |
1 |
ClN2S2O4C11H17 |
AB2C2D4E11F17 |
-78.99 |
2.45 |
-10.25 |
-2.01 |
0 |
|
|
209941 |
80741943 |
1 |
BrFO3H12C15 |
ABC3D12E15 |
-127.5 |
4.33 |
-9.49 |
-0.87 |
0 |
|
|
209942 |
80742467 |
2 |
SN2O2C5H8 |
AB2C2D5E8 |
-32.16 |
7.34 |
-9.72 |
-1.42 |
0 |
|
|
209943 |
80742572 |
1 |
ClS2N4O4H5C8 |
AB2C4D4E5F8 |
-4.59 |
3.87 |
-9.99 |
-2.16 |
0 |
|
|
209944 |
80742573 |
1 |
ClN2S2O4H5C7 |
AB2C2D4E5F7 |
-1.23 |
5.16 |
-10.41 |
-2.14 |
0 |
|
|
209945 |
80742574 |
1 |
ClIN2S2O4H6C10 |
ABC2D2E4F6G10 |
-5.83 |
5.54 |
-9.07 |
-2.31 |
0 |
|
|
209946 |
80742575 |
1 |
ClN2S3O4C9H11 |
AB2C3D4E9F11 |
-50.98 |
7.16 |
-8.78 |
-2.15 |
0 |
|
|
209947 |
80742576 |
1 |
ClN2S2O4C11H15 |
AB2C2D4E11F15 |
-70.51 |
4.23 |
-9.83 |
-1.99 |
0 |
|
|
209948 |
80742657 |
1 |
O2S2N4C13H22 |
A2B2C4D13E22 |
-70.47 |
8.64 |
-8.7 |
-0.72 |
0 |
|
|
209949 |
80742698 |
1 |
O2N4C9H16 |
A2B4C9D16 |
-52.58 |
2.88 |
-10.25 |
-0.27 |
0 |
|
|
209950 |
80742699 |
1 |
N2O2C17H18 |
A2B2C17D18 |
-44.24 |
5.75 |
-8.62 |
-0.22 |
0 |
|
|
209951 |
80742700 |
1 |
O2N4C7H12 |
A2B4C7D12 |
-40.23 |
2.19 |
-10.31 |
-0.31 |
0 |
|
|
209952 |
80742706 |
1 |
ON2C18H30 |
AB2C18D30 |
-67.15 |
1.98 |
-7.94 |
1.04 |
0 |
|
|
209953 |
80742707 |
1 |
O2N3C16H25 |
A2B3C16D25 |
-83.02 |
3.86 |
-8.38 |
0.63 |
0 |
|
|
209954 |
80743096 |
1 |
N2O3S3C10H16 |
A2B3C3D10E16 |
-133.0 |
2.6 |
-8.67 |
-0.82 |
0 |
|
|
209955 |
80743115 |
1 |
FOSN3C13H18 |
ABCD3E13F18 |
-88.51 |
2.95 |
-8.05 |
-0.45 |
0 |
|
|
209956 |
80743194 |
1 |
N2O5C14H20 |
A2B5C14D20 |
-139.73 |
3.93 |
-9.06 |
-1.27 |
0 |
|
|
209957 |
80743247 |
1 |
SN2O3C15H26 |
AB2C3D15E26 |
-174.44 |
3.16 |
-8.79 |
0.47 |
0 |
|
|
209958 |
80743248 |
1 |
SN2O3C13H24 |
AB2C3D13E24 |
-167.65 |
3.78 |
-8.83 |
0.39 |
0 |
|
|
209959 |
80743249 |
1 |
N2S2O3C11H18 |
A2B2C3D11E18 |
-147.97 |
3.68 |
-9.1 |
-0.42 |
0 |
|
|
209960 |
80743250 |
1 |
ClSN2O3C14H17 |
ABC2D3E14F17 |
-135.8 |
3.15 |
-9.01 |
-1.11 |
0 |
|
|
209961 |
80743327 |
1 |
FN2O2S3C13H17 |
AB2C2D3E13F17 |
-103.47 |
2.11 |
-8.8 |
-1.41 |
0 |
|
|
209962 |
80743372 |
1 |
FSN2O4C13H15 |
ABC2D4E13F15 |
-127.25 |
10.6 |
-9.32 |
-1.69 |
0 |
|
|
209963 |
80743373 |
1 |
SN2O2C16H18 |
AB2C2D16E18 |
-55.24 |
8.22 |
-8.8 |
-1.02 |
0 |
|
|
209964 |
80743386 |
1 |
N2S2O3C14H24 |
A2B2C3D14E24 |
-160.43 |
8.17 |
-8.97 |
-0.34 |
0 |
|
|
209965 |
80743597 |
1 |
SN3C11H17 |
AB3C11D17 |
6.45 |
2.67 |
-8.28 |
0.48 |
0 |
|
|
209966 |
80743598 |
1 |
NSO3C9H13 |
ABC3D9E13 |
-109.01 |
1.52 |
-8.89 |
-0.73 |
0 |
|
|
209967 |
80743599 |
1 |
SO2N4C12H16 |
AB2C4D12E16 |
-16.4 |
1.87 |
-9.33 |
-0.33 |
0 |
|
|
209968 |
80743961 |
1 |
N3O3C14H23 |
A3B3C14D23 |
-53.16 |
10.46 |
-8.71 |
-1.0 |
0 |
|
|
209969 |
80744260 |
1 |
N2S2O3C14H20 |
A2B2C3D14E20 |
-153.44 |
6.51 |
-8.47 |
-0.48 |
0 |
|
|
209970 |
80745051 |
1 |
S2N3O4C12H13 |
A2B3C4D12E13 |
-50.13 |
5.12 |
-9.32 |
-1.34 |
0 |
|
|
209971 |
80745067 |
1 |
ON3S3C11H13 |
AB3C3D11E13 |
25.36 |
4.43 |
-8.75 |
-0.99 |
0 |
|
|
209972 |
80745709 |
1 |
S3O4N5C9H11 |
A3B4C5D9E11 |
-25.49 |
10.07 |
-8.78 |
-1.63 |
0 |
|
|
209973 |
80745710 |
1 |
S2N3O4C12H21 |
A2B3C4D12E21 |
-97.25 |
7.18 |
-9.43 |
-1.08 |
0 |
|
|
209974 |
80745904 |
1 |
NO2S2C13H15 |
AB2C2D13E15 |
-59.17 |
2.55 |
-8.73 |
-1.19 |
0 |
|
|
209975 |
80745905 |
1 |
NO2S2C13H15 |
AB2C2D13E15 |
-36.34 |
4.18 |
-8.63 |
-1.13 |
0 |
|
|
209976 |
80745906 |
1 |
N2S2O3H10C12 |
A2B2C3D10E12 |
-80.59 |
5.17 |
-9.01 |
-1.52 |
0 |
|
|
209977 |
80746191 |
1 |
NO2S2H11C14 |
AB2C2D11E14 |
-18.1 |
4.02 |
-8.65 |
-1.42 |
0 |
|
|
209978 |
80746514 |
1 |
S2N3O5C9H15 |
A2B3C5D9E15 |
-110.77 |
4.76 |
-9.36 |
-1.31 |
0 |
|
|
209979 |
80746515 |
1 |
S2N3O4C11H17 |
A2B3C4D11E17 |
-66.93 |
7.73 |
-9.42 |
-1.08 |
0 |
|
|
209980 |
80747053 |
1 |
ClO2N4C12H17 |
AB2C4D12E17 |
-55.33 |
6.93 |
-8.95 |
-0.68 |
0 |
|
|
209981 |
80747072 |
1 |
NF2O3H9C13 |
AB2C3D9E13 |
-169.22 |
4.3 |
-10.11 |
-1.83 |
0 |
|
|
209982 |
80747126 |
1 |
N3S3O4C10H11 |
A3B3C4D10E11 |
-37.64 |
7.29 |
-8.98 |
-1.4 |
0 |
|
|
209983 |
80747142 |
1 |
FN2O2C16H23 |
AB2C2D16E23 |
-132.26 |
6.99 |
-8.36 |
-0.29 |
0 |
|
|
209984 |
80747263 |
1 |
ClON5C14H24 |
ABC5D14E24 |
-8.83 |
3.47 |
-8.74 |
-0.24 |
0 |
|
|
209985 |
80747264 |
1 |
ClON5C14H24 |
ABC5D14E24 |
-15.04 |
2.53 |
-8.59 |
-0.44 |
0 |
|
|
209986 |
80747265 |
1 |
ClON4C13H19 |
ABC4D13E19 |
4.36 |
6.08 |
-8.81 |
-0.67 |
0 |
|
|
209987 |
80747467 |
1 |
NF2O2H13C14 |
AB2C2D13E14 |
-144.28 |
4.93 |
-10.0 |
-1.68 |
0 |
|
|
209988 |
80747518 |
1 |
S2N3O4C11H17 |
A2B3C4D11E17 |
-68.71 |
5.9 |
-9.45 |
-1.28 |
0 |
|
|
209989 |
80748171 |
1 |
INO2C15H16 |
ABC2D15E16 |
-29.22 |
2.21 |
-8.8 |
-0.85 |
0 |
|
|
209990 |
80748172 |
1 |
NO2C17H21 |
AB2C17D21 |
-61.27 |
3.98 |
-8.51 |
0.15 |
0 |
|
|
209991 |
80748222 |
1 |
O2N4C15H20 |
A2B4C15D20 |
-22.7 |
4.53 |
-7.89 |
-0.03 |
0 |
|
|
209992 |
80748880 |
1 |
F2N6C13H14 |
A2B6C13D14 |
-25.13 |
2.8 |
-8.96 |
-0.53 |
0 |
|
|
209993 |
80748921 |
1 |
NO2C11H17 |
AB2C11D17 |
-83.85 |
2.28 |
-8.5 |
0.79 |
0 |
|
|
209994 |
80748922 |
1 |
NO3C16H19 |
AB3C16D19 |
-85.65 |
3.43 |
-8.59 |
0.23 |
0 |