List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
21999 |
594706 |
2 |
NO2C7H7 |
AB2C7D7 |
-51.58 |
2.06 |
-8.98 |
-0.42 |
0 |
|
|
22000 |
594707 |
4 |
OC5H6 |
AB5C6 |
-164.6 |
1.72 |
-8.9 |
-0.62 |
0 |
|
|
22001 |
594709 |
1 |
NO3H7C9 |
AB3C7D9 |
-77.28 |
4.76 |
-10.04 |
-1.35 |
0 |
|
|
22002 |
594712 |
1 |
O4C15H26 |
A4B15C26 |
-206.71 |
3.15 |
-9.99 |
0.45 |
0 |
|
|
22003 |
594740 |
1 |
S2C7H12 |
A2B7C12 |
19.77 |
1.38 |
-8.17 |
0.18 |
0 |
|
|
22004 |
594781 |
4 |
C3H4 |
A3B4 |
22.04 |
1.0 |
-10.18 |
1.84 |
0 |
|
|
22005 |
594839 |
1 |
NC12H17 |
AB12C17 |
5.32 |
2.0 |
-8.03 |
0.6 |
0 |
|
|
22006 |
594893 |
1 |
NC12H17 |
AB12C17 |
7.93 |
1.64 |
-8.62 |
0.41 |
0 |
|
|
22007 |
594895 |
1 |
NOC11H13 |
ABC11D13 |
-9.48 |
4.25 |
-8.71 |
0.16 |
0 |
|
|
22008 |
594896 |
1 |
NOC11H13 |
ABC11D13 |
-9.54 |
1.44 |
-9.04 |
-0.2 |
0 |
|
|
22009 |
594898 |
1 |
NO2C12H13 |
AB2C12D13 |
-55.69 |
6.07 |
-9.23 |
-1.34 |
0 |
|
|
22010 |
594983 |
2 |
OC10H12 |
AB10C12 |
-72.33 |
4.7 |
-8.52 |
0.39 |
0 |
|
|
22011 |
594984 |
1 |
ClNO2H14C17 |
ABC2D14E17 |
-37.34 |
4.92 |
-8.92 |
-0.56 |
0 |
|
|
22012 |
594985 |
1 |
NO2C19H25 |
AB2C19D25 |
-54.63 |
3.25 |
-8.49 |
0.39 |
0 |
|
|
22013 |
595003 |
1 |
O2N3C20H23 |
A2B3C20D23 |
-46.56 |
3.92 |
-8.7 |
-1.08 |
0 |
|
|
22014 |
595015 |
1 |
NO2C18H23 |
AB2C18D23 |
-74.28 |
2.66 |
-8.59 |
0.33 |
0 |
|
|
22015 |
595057 |
1 |
NO2C14H17 |
AB2C14D17 |
-50.32 |
4.6 |
-8.99 |
-0.34 |
0 |
|
|
22016 |
595060 |
1 |
ON6C26H28 |
AB6C26D28 |
118.36 |
5.21 |
-8.42 |
-1.28 |
0 |
|
|
22017 |
595090 |
1 |
NO3C18H19 |
AB3C18D19 |
-99.78 |
9.98 |
-9.42 |
-0.82 |
0 |
|
|
22018 |
595169 |
1 |
C13H20 |
A13B20 |
-4.9 |
1.53 |
-8.76 |
1.39 |
0 |
|
|
22019 |
595252 |
1 |
N3C9H11 |
A3B9C11 |
28.91 |
1.69 |
-8.05 |
0.14 |
0 |
|
|
22020 |
595275 |
1 |
O2C17H26 |
A2B17C26 |
-126.2 |
2.45 |
-8.72 |
0.96 |
0 |
|
|
22021 |
595348 |
1 |
O2C19H28 |
A2B19C28 |
-82.6 |
3.83 |
-8.86 |
-0.57 |
0 |
|
|
22022 |
595365 |
1 |
NSO2C12H13 |
ABC2D12E13 |
-45.51 |
5.7 |
-8.74 |
-1.15 |
0 |
|
|
22023 |
595370 |
3 |
C5H8 |
A5B8 |
-12.54 |
1.03 |
-9.41 |
1.57 |
0 |