List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
9980 |
95789 |
1 |
NO2C8H17 |
AB2C8D17 |
-123.25 |
2.52 |
-9.98 |
0.83 |
0 |
|
|
9981 |
95805 |
1 |
ON5C7H9 |
AB5C7D9 |
25.07 |
6.0 |
-8.76 |
-0.47 |
0 |
|
|
9982 |
95838 |
2 |
NH6C9 |
AB6C9 |
83.56 |
0.79 |
-7.89 |
-0.63 |
0 |
|
|
9983 |
95850 |
2 |
ClOSH4C6 |
ABCD4E6 |
-43.72 |
3.58 |
-9.56 |
-1.29 |
0 |
|
|
9984 |
95851 |
2 |
NOC4H7 |
ABC4D7 |
-100.49 |
0.03 |
-9.28 |
0.75 |
0 |
|
|
9985 |
95852 |
1 |
OH14C16 |
AB14C16 |
20.49 |
3.93 |
-9.22 |
-0.76 |
0 |
|
|
9986 |
95853 |
1 |
NO2C9H15 |
AB2C9D15 |
-123.37 |
4.7 |
-10.7 |
-0.03 |
0 |
|
|
9987 |
95857 |
1 |
NO2C11H19 |
AB2C11D19 |
-131.6 |
4.85 |
-10.69 |
-0.02 |
0 |
|
|
9988 |
95884 |
1 |
NO4H9C13 |
AB4C9D13 |
-29.32 |
3.98 |
-9.7 |
-2.04 |
0 |
|
|
9989 |
95945 |
2 |
NOC4H5 |
ABC4D5 |
0.93 |
6.47 |
-8.94 |
-1.08 |
0 |
|
|
9990 |
95947 |
1 |
C3N3O3H5 |
A3B3C3D5 |
-93.31 |
3.52 |
-10.57 |
-1.18 |
0 |
|
|
9991 |
95966 |
3 |
NOC7H9 |
ABC7D9 |
-31.22 |
1.98 |
-10.06 |
-1.05 |
0 |
|
|
9992 |
95968 |
2 |
NOC7H7 |
ABC7D7 |
-16.62 |
2.09 |
-9.58 |
-0.18 |
0 |
|
|
9993 |
95982 |
1 |
O2C13H24 |
A2B13C24 |
-126.66 |
2.8 |
-9.23 |
1.46 |
0 |
|
|
9994 |
95992 |
1 |
FO2H7C8 |
AB2C7D8 |
-114.97 |
2.13 |
-9.4 |
-1.1 |
0 |
|
|
9995 |
95998 |
1 |
NOC36H71 |
ABC36D71 |
-188.92 |
4.01 |
-9.44 |
1.24 |
0 |
|
|
9996 |
96028 |
1 |
NSH7C9 |
ABC7D9 |
48.91 |
3.22 |
-8.49 |
-0.94 |
0 |
|
|
9997 |
96029 |
1 |
O2N3H5C8 |
A2B3C5D8 |
62.21 |
5.09 |
-10.53 |
-2.05 |
0 |
|
|
9998 |
96030 |
1 |
O2N3H7C8 |
A2B3C7D8 |
-50.36 |
8.11 |
-8.55 |
-0.83 |
0 |
|
|
9999 |
96073 |
1 |
ClN2O3H9C13 |
AB2C3D9E13 |
-0.66 |
3.31 |
-9.19 |
-1.87 |
0 |
|
|
10000 |
96075 |
1 |
Cl2N3H5C6 |
A2B3C5D6 |
69.97 |
2.17 |
-10.41 |
-1.31 |
0 |
|
|
10001 |
96082 |
1 |
SC12H26 |
AB12C26 |
-64.83 |
1.99 |
-8.43 |
0.92 |
0 |
|
|
10002 |
96093 |
1 |
NOF2H7C8 |
ABC2D7E8 |
-120.07 |
3.43 |
-9.15 |
-0.44 |
0 |
|
|
10003 |
96095 |
1 |
FNOH10C13 |
ABCD10E13 |
-39.24 |
2.96 |
-8.96 |
-0.76 |
0 |
|
|
10004 |
96107 |
1 |
BrO2C10H11 |
AB2C10D11 |
-71.28 |
3.61 |
-9.33 |
-0.35 |
0 |
|
|
10005 |
96115 |
1 |
Cl2N2O2C13H14 |
A2B2C2D13E14 |
-67.26 |
4.07 |
-9.58 |
-1.56 |
0 |
|
|
10006 |
96133 |
1 |
ClO2H5C9 |
AB2C5D9 |
-44.59 |
5.34 |
-9.54 |
-1.42 |
0 |
|
|
10007 |
96147 |
1 |
O3N4C17H20 |
A3B4C17D20 |
21.03 |
10.66 |
-8.8 |
-1.39 |
0 |
|
|
10008 |
96149 |
2 |
ClNO2C7H8 |
ABC2D7E8 |
-124.88 |
3.38 |
-8.82 |
-1.62 |
0 |
|
|
10009 |
96150 |
3 |
NOC2H3 |
ABC2D3 |
6.76 |
5.6 |
-9.15 |
-1.3 |
0 |
|
|
10010 |
96163 |
2 |
C2H2N3 |
A2B2C3 |
123.66 |
5.51 |
-9.19 |
-1.73 |
0 |
|
|
10011 |
96167 |
1 |
NCl2C8H17 |
AB2C8D17 |
-48.98 |
4.16 |
-8.99 |
0.81 |
0 |
|
|
10012 |
96225 |
1 |
O3C14H14 |
A3B14C14 |
-82.79 |
7.33 |
-9.11 |
-0.83 |
0 |
|
|
10013 |
96240 |
2 |
ClSH2O2C3 |
ABC2D2E3 |
-139.97 |
5.67 |
-11.63 |
-2.09 |
0 |
|
|
10014 |
96242 |
1 |
SO3N5C9H13 |
AB3C5D9E13 |
-26.25 |
5.99 |
-10.05 |
-1.95 |
0 |
|
|
10015 |
96243 |
1 |
SO2N5C9H13 |
AB2C5D9E13 |
4.25 |
4.37 |
-10.22 |
-1.99 |
0 |
|
|
10016 |
96258 |
1 |
Cl2N2O2C9H14 |
A2B2C2D9E14 |
-115.12 |
3.36 |
-9.56 |
-0.24 |
0 |
|
|
10017 |
96357 |
1 |
NO2C9H13 |
AB2C9D13 |
-80.12 |
5.67 |
-11.13 |
0.35 |
0 |
|
|
10018 |
96387 |
1 |
NOC11H15 |
ABC11D15 |
-34.06 |
1.47 |
-9.32 |
0.24 |
0 |
|
|
10019 |
96398 |
1 |
OC12H14 |
AB12C14 |
-13.36 |
3.58 |
-9.37 |
-0.31 |
0 |
|
|
10020 |
96420 |
1 |
ON3C8H11 |
AB3C8D11 |
-11.9 |
5.91 |
-8.78 |
-0.36 |
0 |
|
|
10021 |
96446 |
1 |
NCl2O2C15H21 |
AB2C2D15E21 |
-106.34 |
4.54 |
-9.01 |
0.03 |
0 |
|
|
10022 |
96470 |
2 |
OC7H7 |
AB7C7 |
-44.66 |
1.19 |
-10.22 |
-1.69 |
0 |
|
|
10023 |
96474 |
1 |
ON3C7H15 |
AB3C7D15 |
-49.56 |
4.82 |
-9.12 |
1.14 |
0 |
|
|
10024 |
96478 |
1 |
ClOC11H15 |
ABC11D15 |
-51.61 |
1.43 |
-8.83 |
0.39 |
0 |
|
|
10025 |
96480 |
1 |
ON2C11H16 |
AB2C11D16 |
-27.15 |
2.2 |
-8.93 |
-0.05 |
0 |
|
|
10026 |
96483 |
1 |
NOC23H41 |
ABC23D41 |
-94.01 |
0.48 |
-9.22 |
-0.03 |
0 |
|
|
10027 |
96485 |
1 |
O2N3C4H7 |
A2B3C4D7 |
-31.67 |
6.74 |
-9.89 |
-0.42 |
0 |
|
|
10028 |
96503 |
1 |
N5O7C16H19 |
A5B7C16D19 |
-245.16 |
4.03 |
-9.12 |
-0.55 |
0 |
|
|
10029 |
96525 |
1 |
OSCl2N2C4H8 |
ABC2D2E4F8 |
-4.56 |
3.33 |
-8.76 |
-0.94 |
0 |