List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
333331 |
127251883 |
1 |
O2N5C25H33 |
A2B5C25D33 |
-60.1 |
5.31 |
-9.05 |
-0.27 |
0 |
|
|
333332 |
127251884 |
1 |
O2N6C25H32 |
A2B6C25D32 |
-33.52 |
7.15 |
-8.75 |
-0.15 |
0 |
|
|
333333 |
127251885 |
2 |
ON3C12H17 |
AB3C12D17 |
-29.37 |
8.92 |
-7.76 |
-0.3 |
0 |
|
|
333334 |
127251886 |
1 |
SO2N5C21H29 |
AB2C5D21E29 |
-31.47 |
6.86 |
-8.88 |
-0.08 |
0 |
|
|
333335 |
127251887 |
2 |
ON3C12H17 |
AB3C12D17 |
-25.66 |
5.71 |
-8.57 |
-0.27 |
0 |
|
|
333336 |
127251888 |
1 |
O2N6C25H32 |
A2B6C25D32 |
-45.17 |
8.95 |
-8.37 |
-0.29 |
0 |
|
|
333337 |
127251889 |
1 |
O2N5C26H35 |
A2B5C26D35 |
-42.81 |
5.22 |
-8.82 |
-0.18 |
0 |
|
|
333338 |
127251890 |
1 |
SO2N5C19H31 |
AB2C5D19E31 |
-69.96 |
7.04 |
-8.87 |
-0.09 |
0 |
|
|
333339 |
127251891 |
1 |
SO3N5C20H31 |
AB3C5D20E31 |
-120.05 |
4.38 |
-9.18 |
-0.33 |
0 |
|
|
333340 |
127251892 |
1 |
ON5C20H25 |
AB5C20D25 |
17.35 |
7.1 |
-9.04 |
-0.17 |
0 |
|
|
333341 |
127251893 |
1 |
ON5C22H29 |
AB5C22D29 |
1.69 |
5.92 |
-9.09 |
-0.22 |
0 |
|
|
333342 |
127251894 |
1 |
O3N6C23H30 |
A3B6C23D30 |
-74.15 |
3.43 |
-8.48 |
-0.28 |
0 |
|
|
333343 |
127251895 |
1 |
O2N6C21H28 |
A2B6C21D28 |
-24.74 |
1.94 |
-8.46 |
-0.11 |
0 |
|
|
333344 |
127251896 |
1 |
FON6C20H25 |
ABC6D20E25 |
-30.65 |
3.36 |
-8.96 |
-0.36 |
0 |
|
|
333345 |
127251897 |
1 |
ON5C19H31 |
AB5C19D31 |
-40.61 |
6.7 |
-8.57 |
-0.32 |
0 |
|
|
333346 |
127251898 |
1 |
SO3N5C16H25 |
AB3C5D16E25 |
-104.49 |
7.09 |
-9.25 |
-0.4 |
0 |
|
|
333347 |
127251899 |
1 |
O4N5C23H29 |
A4B5C23D29 |
-111.15 |
9.12 |
-8.92 |
-0.26 |
0 |
|
|
333348 |
127251900 |
1 |
SO3N5C20H25 |
AB3C5D20E25 |
-67.49 |
9.86 |
-9.24 |
-0.78 |
0 |
|
|
333349 |
127251901 |
1 |
SO3N6C19H30 |
AB3C6D19E30 |
-107.11 |
4.44 |
-9.15 |
-0.35 |
0 |
|
|
333350 |
127251902 |
1 |
SO3N6C19H30 |
AB3C6D19E30 |
-107.18 |
1.37 |
-9.13 |
-0.26 |
0 |
|
|
333351 |
127251903 |
1 |
SO2N6C17H28 |
AB2C6D17E28 |
-58.4 |
3.67 |
-9.05 |
-0.2 |
0 |
|
|
333352 |
127251904 |
1 |
SO3N6C18H30 |
AB3C6D18E30 |
-109.58 |
7.08 |
-9.21 |
-0.32 |
0 |
|
|
333353 |
127251905 |
1 |
SO3N6C18H30 |
AB3C6D18E30 |
-106.09 |
8.08 |
-9.26 |
-0.5 |
0 |
|
|
333354 |
127251906 |
1 |
O3N5C24H31 |
A3B5C24D31 |
-86.28 |
4.59 |
-8.66 |
-0.5 |
0 |
|
|
333355 |
127251907 |
1 |
O2N5C23H31 |
A2B5C23D31 |
-30.75 |
9.29 |
-8.62 |
-0.19 |
0 |
|
|
333356 |
127251908 |
1 |
ON5C26H29 |
AB5C26D29 |
41.92 |
5.83 |
-9.04 |
-0.18 |
0 |
|
|
333357 |
127251909 |
1 |
FON5C21H26 |
ABC5D21E26 |
-38.34 |
7.68 |
-9.12 |
-0.35 |
0 |
|
|
333358 |
127251910 |
1 |
ON6C23H26 |
AB6C23D26 |
47.23 |
7.15 |
-9.06 |
-0.87 |
0 |
|
|
333359 |
127251911 |
1 |
FSO3N5C21H26 |
ABC3D5E21F26 |
-125.58 |
7.83 |
-9.19 |
-0.6 |
0 |
|
|
333360 |
127251912 |
1 |
O2N6C25H32 |
A2B6C25D32 |
-36.54 |
4.49 |
-8.61 |
-0.43 |
0 |
|
|
333361 |
127251913 |
2 |
ON3C12H13 |
AB3C12D13 |
-1.55 |
11.12 |
-9.14 |
-0.88 |
0 |
|
|
333362 |
127251914 |
2 |
ON3C12H16 |
AB3C12D16 |
-21.77 |
6.75 |
-8.39 |
-0.15 |
0 |
|
|
333363 |
127251915 |
1 |
O2N6C25H30 |
A2B6C25D30 |
-25.59 |
4.17 |
-8.81 |
-0.63 |
0 |
|
|
333364 |
127251916 |
1 |
ON6C26H36 |
AB6C26D36 |
0.16 |
5.11 |
-8.08 |
0.04 |
0 |
|
|
333365 |
127251917 |
1 |
O2N6C17H26 |
A2B6C17D26 |
-63.35 |
5.77 |
-9.0 |
-0.14 |
0 |
|
|
333366 |
127251918 |
1 |
O2N5C19H29 |
A2B5C19D29 |
-67.76 |
6.58 |
-9.04 |
-0.24 |
0 |
|
|
333367 |
127251919 |
1 |
O3N5C18H27 |
A3B5C18D27 |
-120.14 |
2.37 |
-9.2 |
-0.42 |
0 |
|
|
333368 |
127251920 |
1 |
ON6C26H36 |
AB6C26D36 |
-3.57 |
7.91 |
-8.9 |
-0.19 |
0 |
|
|
333369 |
127251921 |
1 |
O3N6C22H30 |
A3B6C22D30 |
-65.43 |
8.88 |
-9.24 |
-0.37 |
0 |
|
|
333370 |
127251922 |
1 |
OSN6C24H28 |
ABC6D24E28 |
35.56 |
2.67 |
-9.13 |
-0.76 |
0 |
|
|
333371 |
127251923 |
1 |
ON6C24H30 |
AB6C24D30 |
20.3 |
7.5 |
-8.29 |
-0.13 |
0 |
|
|
333372 |
127251924 |
1 |
O3N5C24H31 |
A3B5C24D31 |
-88.83 |
7.05 |
-9.24 |
-0.42 |
0 |
|
|
333373 |
127251925 |
1 |
O3N5C24H31 |
A3B5C24D31 |
-86.52 |
7.05 |
-8.82 |
-0.47 |
0 |
|
|
333374 |
127251926 |
1 |
O2N5C26H35 |
A2B5C26D35 |
-48.65 |
4.91 |
-8.76 |
-0.21 |
0 |
|
|
333375 |
127251927 |
1 |
ON5C24H33 |
AB5C24D33 |
0.17 |
6.21 |
-8.72 |
-0.04 |
0 |
|
|
333376 |
127251928 |
1 |
FO3N5C23H28 |
AB3C5D23E28 |
-129.66 |
5.34 |
-9.14 |
-0.62 |
0 |
|
|
333377 |
127251929 |
1 |
FO2N5C24H30 |
AB2C5D24E30 |
-79.2 |
9.55 |
-9.11 |
-0.23 |
0 |
|
|
333378 |
127251930 |
1 |
SO3N5C22H29 |
AB3C5D22E29 |
-82.48 |
8.02 |
-9.18 |
-0.34 |
0 |
|
|
333379 |
127251931 |
1 |
FSO3N5C20H26 |
ABC3D5E20F26 |
-104.99 |
2.73 |
-8.9 |
-0.68 |
0 |
|
|
333380 |
127251932 |
1 |
O2N5C26H35 |
A2B5C26D35 |
-43.39 |
7.05 |
-8.96 |
-0.09 |
0 |
|
|
333381 |
127251933 |
1 |
O3N5C25H31 |
A3B5C25D31 |
-90.65 |
3.36 |
-8.58 |
-0.41 |
0 |
|
|
333382 |
127251934 |
1 |
O3N5C23H29 |
A3B5C23D29 |
-81.02 |
8.26 |
-9.24 |
-0.33 |
0 |
|
|
333383 |
127251935 |
1 |
FSO2N5C20H26 |
ABC2D5E20F26 |
-76.39 |
4.98 |
-8.99 |
-0.55 |
0 |
|
|
333384 |
127251936 |
1 |
FSO3N5C21H26 |
ABC3D5E21F26 |
-127.14 |
6.61 |
-9.23 |
-0.54 |
0 |
|
|
333385 |
127251937 |
1 |
FSO3N5C21H26 |
ABC3D5E21F26 |
-122.91 |
9.9 |
-9.25 |
-0.92 |
0 |
|
|
333386 |
127251938 |
1 |
SO2N5C21H29 |
AB2C5D21E29 |
-37.89 |
2.98 |
-8.83 |
-0.2 |
0 |
|
|
333387 |
127251939 |
1 |
SO3N5C22H29 |
AB3C5D22E29 |
-88.46 |
8.28 |
-9.1 |
-0.22 |
0 |
|
|
333388 |
127251940 |
1 |
SO3N5C22H29 |
AB3C5D22E29 |
-83.71 |
5.49 |
-9.23 |
-0.57 |
0 |
|
|
333389 |
127251941 |
1 |
O2N5C23H31 |
A2B5C23D31 |
-41.98 |
8.92 |
-8.81 |
-0.25 |
0 |
|
|
333390 |
127251942 |
1 |
O2N6C25H32 |
A2B6C25D32 |
-17.34 |
6.24 |
-8.06 |
-0.15 |
0 |
|
|
333391 |
127251943 |
1 |
ON6C24H30 |
AB6C24D30 |
23.83 |
7.56 |
-8.29 |
-0.14 |
0 |
|
|
333392 |
127251944 |
1 |
O3N5C22H29 |
A3B5C22D29 |
-53.71 |
5.26 |
-8.42 |
-0.08 |
0 |
|
|
333393 |
127251945 |
1 |
O2N5C25H35 |
A2B5C25D35 |
-58.57 |
7.95 |
-8.26 |
-0.21 |
0 |
|
|
333394 |
127251946 |
1 |
O2N5C25H35 |
A2B5C25D35 |
-56.44 |
7.31 |
-8.5 |
-0.24 |
0 |
|
|
333395 |
127251947 |
1 |
FON5C24H32 |
ABC5D24E32 |
-57.45 |
6.46 |
-8.98 |
-0.13 |
0 |
|
|
333396 |
127251948 |
1 |
O3N5C24H33 |
A3B5C24D33 |
-91.23 |
7.0 |
-8.51 |
-0.2 |
0 |
|
|
333397 |
127251949 |
1 |
O3N5C24H33 |
A3B5C24D33 |
-86.16 |
8.28 |
-8.9 |
-0.24 |
0 |
|
|
333398 |
127251950 |
1 |
SO3N5C21H29 |
AB3C5D21E29 |
-78.69 |
11.08 |
-8.9 |
-0.42 |
0 |
|
|
333399 |
127251951 |
1 |
SO4N5C21H27 |
AB4C5D21E27 |
-109.99 |
3.05 |
-9.29 |
-0.46 |
0 |
|
|
333400 |
127251952 |
2 |
ON3C12H16 |
AB3C12D16 |
-27.32 |
9.43 |
-8.75 |
-0.28 |
0 |
|
|
333401 |
127251953 |
2 |
ON3C12H17 |
AB3C12D17 |
-33.82 |
9.3 |
-8.07 |
-0.28 |
0 |
|
|
333402 |
127251954 |
1 |
O2N5C26H35 |
A2B5C26D35 |
-39.93 |
5.33 |
-8.92 |
-0.13 |
0 |
|
|
333403 |
127251955 |
1 |
O2N5C25H33 |
A2B5C25D33 |
-42.13 |
6.43 |
-8.99 |
-0.15 |
0 |
|
|
333404 |
127251956 |
2 |
ON2C11H14 |
AB2C11D14 |
-50.22 |
4.52 |
-8.5 |
-0.26 |
0 |
|
|
333405 |
127251957 |
1 |
ON3C17H19 |
AB3C17D19 |
4.91 |
5.4 |
-9.22 |
-0.71 |
0 |