List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
312917 |
126609901 |
1 |
O2N3F4C15H15 |
A2B3C4D15E15 |
-246.58 |
4.44 |
-8.63 |
-0.69 |
0 |
|
|
312918 |
126609945 |
1 |
O3C17H28 |
A3B17C28 |
-155.86 |
3.23 |
-8.77 |
0.36 |
0 |
|
|
312919 |
126609946 |
1 |
OC17H26 |
AB17C26 |
-63.54 |
2.11 |
-8.65 |
0.49 |
0 |
|
|
312920 |
126609954 |
1 |
O3C18H28 |
A3B18C28 |
-148.62 |
3.26 |
-8.74 |
0.28 |
0 |
|
|
312921 |
126609959 |
2 |
O2C9H14 |
A2B9C14 |
-191.79 |
3.13 |
-9.03 |
0.0 |
0 |
|
|
312922 |
126609969 |
1 |
O10H54C59 |
A10B54C59 |
-226.06 |
14.88 |
-8.47 |
-0.48 |
0 |
|
|
312923 |
126609970 |
1 |
OC15H22 |
AB15C22 |
-38.84 |
1.68 |
-8.88 |
0.44 |
0 |
|
|
312924 |
126609989 |
1 |
SF3N3O3H12C16 |
AB3C3D3E12F16 |
-174.15 |
5.56 |
-8.89 |
-1.44 |
0 |
|
|
312925 |
126609993 |
1 |
ClSO2N3H12C15 |
ABC2D3E12F15 |
28.38 |
4.1 |
-8.6 |
-1.26 |
0 |
|
|
312926 |
126609995 |
1 |
ClSO2N3H12C15 |
ABC2D3E12F15 |
28.12 |
2.64 |
-8.6 |
-1.27 |
0 |
|
|
312927 |
126610061 |
1 |
SCl2N2O2H12C16 |
AB2C2D2E12F16 |
0.91 |
2.95 |
-8.82 |
-1.38 |
0 |
|
|
312928 |
126610086 |
1 |
NSO3C14H17 |
ABC3D14E17 |
-80.06 |
5.88 |
-9.04 |
-0.98 |
0 |
|
|
312929 |
126610103 |
1 |
O2C15H16 |
A2B15C16 |
-45.74 |
3.9 |
-8.78 |
-0.64 |
0 |
|
|
312930 |
126610114 |
1 |
NSO3C14H17 |
ABC3D14E17 |
-89.87 |
4.33 |
-8.34 |
-0.25 |
0 |
|
|
312931 |
126610134 |
1 |
SO2N4H14C16 |
AB2C4D14E16 |
35.79 |
6.36 |
-8.85 |
-1.12 |
0 |
|
|
312932 |
126610137 |
1 |
OSN6C11H14 |
ABC6D11E14 |
53.02 |
7.3 |
-8.7 |
-0.93 |
0 |
|
|
312933 |
126610152 |
1 |
ClOSN5C9H10 |
ABCD5E9F10 |
45.73 |
10.48 |
-8.7 |
-0.71 |
0 |
|
|
312934 |
126610154 |
1 |
OSF3N4H9C11 |
ABC3D4E9F11 |
-112.67 |
5.04 |
-8.98 |
-1.77 |
0 |
|
|
312935 |
126610169 |
1 |
ClSO2N3C15H16 |
ABC2D3E15F16 |
-3.0 |
0.56 |
-8.82 |
-0.71 |
0 |
|
|
312936 |
126610172 |
1 |
SO2N7H13C17 |
AB2C7D13E17 |
149.12 |
3.43 |
-9.3 |
-1.88 |
0 |
|
|
312937 |
126610173 |
1 |
SO2N4C11H12 |
AB2C4D11E12 |
0.68 |
6.7 |
-8.77 |
-1.06 |
0 |
|
|
312938 |
126610178 |
2 |
FC14H14 |
AB14C14 |
-24.53 |
2.43 |
-9.08 |
-0.42 |
0 |
|
|
312939 |
126610208 |
2 |
FOC15H16 |
ABC15D16 |
-125.45 |
3.28 |
-8.6 |
-0.31 |
0 |
|
|
312940 |
126610262 |
1 |
ClOC29H31 |
ABC29D31 |
14.33 |
1.85 |
-8.8 |
-0.16 |
0 |
|
|
312941 |
126610263 |
2 |
FC16H17 |
AB16C17 |
-29.22 |
1.79 |
-8.92 |
-0.15 |
0 |
|
|
312942 |
126610265 |
1 |
ClOC27H27 |
ABC27D27 |
30.78 |
3.15 |
-8.72 |
-0.14 |
0 |
|
|
312943 |
126610276 |
1 |
FCl2O2H23C27 |
AB2C2D23E27 |
-58.31 |
2.29 |
-9.13 |
-1.16 |
0 |
|
|
312944 |
126610284 |
1 |
FOC27H29 |
ABC27D29 |
-34.62 |
2.32 |
-8.68 |
-0.1 |
0 |
|
|
312945 |
126610312 |
2 |
OC14H14 |
AB14C14 |
-11.17 |
3.21 |
-9.05 |
-0.75 |
0 |
|
|
312946 |
126610314 |
1 |
OC28H30 |
AB28C30 |
32.24 |
1.71 |
-8.55 |
0.06 |
0 |
|
|
312947 |
126610317 |
1 |
OF3H27C28 |
AB3C27D28 |
-123.84 |
2.2 |
-9.39 |
-0.35 |
0 |
|
|
312948 |
126610325 |
1 |
F3H27C29 |
A3B27C29 |
-58.22 |
2.05 |
-9.02 |
-0.5 |
0 |
|
|
312949 |
126610334 |
1 |
OF4H26C28 |
AB4C26D28 |
-171.6 |
2.91 |
-9.57 |
-0.36 |
0 |
|
|
312950 |
126610348 |
1 |
F2C31H34 |
A2B31C34 |
-46.5 |
1.63 |
-9.03 |
-0.41 |
0 |
|
|
312951 |
126610362 |
1 |
F2H28C29 |
A2B28C29 |
-10.96 |
0.84 |
-8.95 |
-0.46 |
0 |
|
|
312952 |
126610364 |
2 |
FC14H14 |
AB14C14 |
-27.96 |
2.69 |
-9.05 |
-0.31 |
0 |
|
|
312953 |
126610377 |
1 |
F3H27C28 |
A3B27C28 |
-72.67 |
1.69 |
-9.14 |
-0.32 |
0 |
|
|
312954 |
126610380 |
1 |
F3H27C28 |
A3B27C28 |
-75.53 |
3.64 |
-9.29 |
-0.38 |
0 |
|
|
312955 |
126610387 |
1 |
FOC27H27 |
ABC27D27 |
-6.97 |
2.74 |
-8.75 |
-0.1 |
0 |
|
|
312956 |
126610388 |
1 |
FOC29H31 |
ABC29D31 |
-25.83 |
2.36 |
-8.61 |
0.01 |
0 |
|
|
312957 |
126610389 |
1 |
FOC28H29 |
ABC28D29 |
-16.99 |
3.07 |
-8.73 |
-0.11 |
0 |
|
|
312958 |
126610393 |
1 |
FC31H33 |
AB31C33 |
23.02 |
1.68 |
-9.12 |
0.02 |
0 |
|
|
312959 |
126610394 |
1 |
OC28H30 |
AB28C30 |
30.96 |
1.25 |
-8.49 |
0.01 |
0 |
|
|
312960 |
126610407 |
1 |
FC31H35 |
AB31C35 |
0.1 |
1.68 |
-8.94 |
-0.26 |
0 |
|
|
312961 |
126610408 |
1 |
FC29H31 |
AB29C31 |
8.98 |
1.01 |
-8.93 |
0.01 |
0 |
|
|
312962 |
126610419 |
1 |
FC30H33 |
AB30C33 |
0.1 |
1.81 |
-8.96 |
-0.23 |
0 |
|
|
312963 |
126610465 |
1 |
SN2H22C37 |
AB2C22D37 |
187.67 |
3.37 |
-8.37 |
-0.89 |
0 |
|
|
312964 |
126610506 |
2 |
NO2C13H18 |
AB2C13D18 |
-166.92 |
4.3 |
-8.57 |
-0.56 |
0 |
|
|
312965 |
126610513 |
1 |
SN5O5C12H21 |
AB5C5D12E21 |
-197.18 |
4.43 |
-9.09 |
-0.53 |
0 |
|
|
312966 |
126610536 |
1 |
NOH31C44 |
ABC31D44 |
156.85 |
1.53 |
-8.01 |
-0.71 |
0 |