List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
9930 |
94993 |
1 |
O2Cl3C6H11 |
A2B3C6D11 |
-129.67 |
1.43 |
-10.58 |
0.28 |
0 |
|
|
9931 |
95000 |
2 |
NC11H13 |
AB11C13 |
59.26 |
4.08 |
-8.54 |
0.09 |
0 |
|
|
9932 |
95017 |
1 |
AsFNH5O5C6 |
ABCD5E5F6 |
-125.95 |
5.0 |
-10.81 |
-1.6 |
0 |
|
|
9933 |
95021 |
1 |
ClN5C15H20 |
AB5C15D20 |
110.61 |
4.02 |
-9.24 |
-0.14 |
0 |
|
|
9934 |
95044 |
1 |
Cl2S2N3H11C14 |
A2B2C3D11E14 |
70.62 |
3.93 |
-8.95 |
-1.16 |
0 |
|
|
9935 |
95056 |
1 |
NOC12H15 |
ABC12D15 |
-14.6 |
1.49 |
-8.75 |
0.04 |
0 |
|
|
9936 |
95062 |
1 |
BrO3H5C8 |
AB3C5D8 |
-63.11 |
3.3 |
-9.35 |
-1.23 |
0 |
|
|
9937 |
95070 |
1 |
NO3C20H39 |
AB3C20D39 |
-215.85 |
6.38 |
-10.36 |
0.2 |
0 |
|
|
9938 |
95071 |
1 |
SO6C16H18 |
AB6C16D18 |
-205.31 |
7.16 |
-9.58 |
-0.47 |
0 |
|
|
9939 |
95073 |
4 |
OH2C3 |
AB2C3 |
-131.12 |
4.62 |
-9.65 |
-1.29 |
0 |
|
|
9940 |
95074 |
1 |
NO2C12H17 |
AB2C12D17 |
-96.57 |
2.37 |
-10.1 |
0.07 |
0 |
|
|
9941 |
95089 |
2 |
O2C14H23 |
A2B14C23 |
-233.72 |
2.26 |
-10.43 |
-0.98 |
0 |
|
|
9942 |
95151 |
4 |
OC7H13 |
AB7C13 |
-265.1 |
2.02 |
-10.77 |
-0.91 |
0 |
|
|
9943 |
95181 |
1 |
O3C7H10 |
A3B7C10 |
-132.7 |
3.96 |
-10.04 |
-0.28 |
0 |
|
|
9944 |
95182 |
1 |
SO8C24H42 |
AB8C24D42 |
-425.03 |
3.17 |
-9.31 |
-0.42 |
0 |
|
|
9945 |
95184 |
1 |
OC10H12 |
AB10C12 |
10.31 |
3.33 |
-9.78 |
0.65 |
0 |
|
|
9946 |
95188 |
1 |
ON5C6H7 |
AB5C6D7 |
10.32 |
4.66 |
-9.23 |
-0.41 |
0 |
|
|
9947 |
95199 |
1 |
NO2H13C22 |
AB2C13D22 |
29.39 |
1.32 |
-9.1 |
-1.16 |
0 |
|
|
9948 |
95201 |
1 |
OC5H6N6 |
AB5C6D6 |
22.72 |
5.03 |
-9.14 |
-0.48 |
0 |
|
|
9949 |
95203 |
1 |
NSH13C18 |
ABC13D18 |
84.27 |
2.97 |
-7.58 |
-0.21 |
0 |
|
|
9950 |
95244 |
1 |
ON2C17H20 |
AB2C17D20 |
-12.0 |
3.03 |
-9.33 |
0.18 |
0 |
|
|
9951 |
95253 |
1 |
ON2C14H14 |
AB2C14D14 |
4.34 |
3.57 |
-9.49 |
-0.02 |
0 |
|
|
9952 |
95257 |
2 |
NC2O2H4 |
AB2C2D4 |
-181.67 |
0.15 |
-10.82 |
0.29 |
0 |
|
|
9953 |
95291 |
1 |
N2O3C6H6 |
A2B3C6D6 |
11.66 |
2.39 |
-9.93 |
-1.87 |
0 |
|
|
9954 |
95314 |
2 |
BrC3H5 |
AB3C5 |
-25.42 |
3.55 |
-10.19 |
-0.41 |
0 |
|
|
9955 |
95336 |
1 |
OH18C20 |
AB18C20 |
31.6 |
3.3 |
-9.37 |
-0.19 |
0 |
|
|
9956 |
95343 |
1 |
ClOH11C14 |
ABC11D14 |
6.88 |
4.85 |
-9.71 |
-0.77 |
0 |
|
|
9957 |
95362 |
1 |
O2C5H12 |
A2B5C12 |
-121.27 |
1.39 |
-10.05 |
2.46 |
0 |
|
|
9958 |
95366 |
1 |
Br2C5H10 |
A2B5C10 |
-29.35 |
0.15 |
-10.54 |
-0.88 |
0 |
|
|
9959 |
95408 |
1 |
O5C21H42 |
A5B21C42 |
-309.38 |
2.28 |
-10.22 |
0.36 |
0 |
|
|
9960 |
95410 |
1 |
OC8H16 |
AB8C16 |
-50.31 |
2.8 |
-9.99 |
2.3 |
0 |
|
|
9961 |
95426 |
1 |
NCl2O4C14H17 |
AB2C4D14E17 |
-182.8 |
1.27 |
-9.32 |
-0.69 |
0 |
|
|
9962 |
95438 |
2 |
NOC6H7 |
ABC6D7 |
-60.16 |
6.96 |
-8.79 |
-0.32 |
0 |
|
|
9963 |
95455 |
1 |
BrOC8H9 |
ABC8D9 |
-30.6 |
2.55 |
-9.7 |
-0.24 |
0 |
|
|
9964 |
95494 |
1 |
OC13H16 |
AB13C16 |
-19.61 |
3.16 |
-9.45 |
-0.64 |
0 |
|
|
9965 |
95500 |
1 |
O3C8H16 |
A3B8C16 |
-155.63 |
0.57 |
-9.95 |
2.05 |
0 |
|
|
9966 |
95546 |
1 |
O3H12C14 |
A3B12C14 |
-82.8 |
5.36 |
-9.57 |
-0.7 |
0 |
|
|
9967 |
95554 |
2 |
OC5H10 |
AB5C10 |
-131.82 |
2.24 |
-10.67 |
0.96 |
0 |
|
|
9968 |
95576 |
1 |
BrO2C4H7 |
AB2C4D7 |
-95.21 |
2.0 |
-10.8 |
-0.9 |
0 |
|
|
9969 |
95601 |
1 |
OC14H22 |
AB14C22 |
-75.65 |
3.68 |
-8.99 |
0.71 |
0 |
|
|
9970 |
95652 |
1 |
O3C4H6 |
A3B4C6 |
-134.16 |
3.08 |
-11.04 |
0.46 |
0 |
|
|
9971 |
95657 |
1 |
NO4C11H13 |
AB4C11D13 |
-156.31 |
5.19 |
-9.93 |
-0.43 |
0 |
|
|
9972 |
95660 |
2 |
O2H5C6 |
A2B5C6 |
-122.71 |
7.7 |
-9.76 |
-1.88 |
0 |
|
|
9973 |
95661 |
1 |
N2O5C18H22 |
A2B5C18D22 |
-194.26 |
6.46 |
-8.42 |
0.06 |
0 |
|
|
9974 |
95672 |
1 |
NOC10H11 |
ABC10D11 |
-26.47 |
4.55 |
-9.72 |
-0.08 |
0 |
|
|
9975 |
95676 |
1 |
ClO2C9H9 |
AB2C9D9 |
-82.61 |
4.98 |
-9.76 |
-0.36 |
0 |
|
|
9976 |
95697 |
1 |
O5C13H16 |
A5B13C16 |
-203.49 |
3.27 |
-8.92 |
0.25 |
0 |
|
|
9977 |
95736 |
1 |
FNO3C4H6 |
ABC3D4E6 |
-178.8 |
4.95 |
-10.61 |
-0.16 |
0 |
|
|
9978 |
95746 |
1 |
NSO2H9C13 |
ABC2D9E13 |
-19.16 |
1.5 |
-9.12 |
-0.97 |
0 |
|
|
9979 |
95786 |
1 |
O3H12C14 |
A3B12C14 |
-52.19 |
3.35 |
-8.98 |
-1.9 |
0 |