List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
412957 |
135085894 |
1 |
OSiC14H22 |
ABC14D22 |
-57.68 |
1.72 |
-8.35 |
0.4 |
0 |
|
|
412958 |
135085895 |
1 |
SN2O4C11H14 |
AB2C4D11E14 |
-122.07 |
6.7 |
-9.46 |
-0.73 |
0 |
|
|
412959 |
135085896 |
1 |
OC14H24 |
AB14C24 |
-77.94 |
3.18 |
-9.46 |
0.25 |
0 |
|
|
412960 |
135085897 |
1 |
NO3C12H19 |
AB3C12D19 |
-145.17 |
2.09 |
-10.38 |
-0.35 |
0 |
|
|
412961 |
135085898 |
1 |
FNOSH8C11 |
ABCDE8F11 |
-11.24 |
3.57 |
-8.66 |
-0.57 |
0 |
|
|
412962 |
135085900 |
1 |
ClFNZnH3C5 |
ABCDE3F5 |
22.41 |
2.05 |
-8.18 |
-1.52 |
0 |
|
|
412963 |
135085901 |
1 |
LiMgNCl2C6H12 |
ABCD2E6F12 |
-141.49 |
5.25 |
-8.19 |
0.7 |
0 |
|
|
412964 |
135085902 |
1 |
NNaO2C5H6 |
ABC2D5E6 |
-93.92 |
13.71 |
-9.31 |
0.04 |
0 |
|
|
412965 |
135085903 |
1 |
SF3O4H7C9 |
AB3C4D7E9 |
-272.05 |
2.14 |
-10.34 |
-1.62 |
0 |
|
|
412966 |
135085904 |
1 |
SF3O4H5C6 |
AB3C4D5E6 |
-275.99 |
2.85 |
-9.8 |
-1.52 |
0 |
|
|
412967 |
135085905 |
1 |
NOC9H11 |
ABC9D11 |
-0.74 |
3.42 |
-8.93 |
-0.19 |
0 |
|
|
412968 |
135085906 |
1 |
BrO2C13H15 |
AB2C13D15 |
-55.62 |
3.12 |
-8.66 |
0.02 |
1 |
|
|
412969 |
135085907 |
1 |
BrClNO2H6C10 |
ABCD2E6F10 |
-1.32 |
3.57 |
0.0 |
0.0 |
0 |
|
|
412970 |
135085908 |
1 |
KO3F4C5H5 |
AB3C4D5E5 |
-393.44 |
15.07 |
-9.16 |
-0.56 |
0 |
|
|
412971 |
135085909 |
1 |
SO3C19H32 |
AB3C19D32 |
-161.44 |
3.87 |
-10.26 |
-0.67 |
0 |
|
|
412972 |
135085910 |
1 |
NC13H15 |
AB13C15 |
37.91 |
2.63 |
-8.13 |
0.34 |
0 |
|
|
412973 |
135085911 |
1 |
NSO3H23C24 |
ABC3D23E24 |
-9.23 |
5.6 |
-8.82 |
-0.44 |
0 |
|
|
412974 |
135085912 |
1 |
BKSF3H5C6 |
ABCD3E5F6 |
-291.98 |
10.89 |
-7.97 |
0.1 |
-1 |
|
|
412975 |
135085913 |
1 |
BSF3H5C6 |
ABC3D5E6 |
-177.48 |
13.66 |
0.0 |
0.0 |
0 |
|
|
412976 |
135085914 |
2 |
OC7H9 |
AB7C9 |
-54.88 |
2.03 |
-9.38 |
0.3 |
0 |
|
|
412977 |
135085915 |
1 |
FOS2C14H19 |
ABC2D14E19 |
-89.42 |
1.64 |
-9.04 |
-1.23 |
0 |
|
|
412978 |
135085916 |
2 |
OC7H8 |
AB7C8 |
-40.13 |
2.29 |
-9.36 |
-0.63 |
0 |
|
|
412979 |
135085919 |
1 |
FO5C6H11 |
AB5C6D11 |
-281.95 |
2.0 |
-10.53 |
0.91 |
0 |
|
|
412980 |
135085921 |
1 |
BrIOC10H10 |
ABCD10E10 |
-0.12 |
0.78 |
-9.58 |
-1.24 |
0 |
|
|
412981 |
135085923 |
1 |
NOC11H15 |
ABC11D15 |
1.39 |
0.55 |
-9.17 |
0.44 |
0 |
|
|
412982 |
135085924 |
1 |
BN3C9H16 |
AB3C9D16 |
-22.14 |
6.29 |
-8.49 |
0.71 |
0 |
|
|
412983 |
135085927 |
1 |
Br2H2O3C5 |
A2B2C3D5 |
-77.42 |
4.55 |
-10.22 |
-1.36 |
0 |
|
|
412984 |
135085928 |
1 |
FOC9H9 |
ABC9D9 |
-43.9 |
1.35 |
-9.77 |
-0.24 |
0 |
|
|
412985 |
135085929 |
1 |
AgC2F3 |
AB2C3 |
-71.31 |
4.55 |
-8.68 |
-3.22 |
0 |
|
|
412986 |
135085930 |
1 |
ClOH9C10 |
ABC9D10 |
29.91 |
1.57 |
-8.76 |
-0.2 |
0 |
|
|
412987 |
135085931 |
1 |
SiO4C10H22 |
AB4C10D22 |
-214.71 |
1.37 |
-8.22 |
0.7 |
0 |
|
|
412988 |
135085932 |
1 |
NVCl3C8H9 |
ABC3D8E9 |
-95.79 |
1.85 |
-8.66 |
-0.76 |
0 |
|
|
412989 |
135085933 |
1 |
BF3O3H8C9 |
AB3C3D8E9 |
-317.72 |
0.23 |
-9.63 |
-0.64 |
0 |
|
|
412990 |
135085934 |
1 |
PO4C11H21 |
AB4C11D21 |
-259.79 |
2.39 |
-10.17 |
0.64 |
0 |
|
|
412991 |
135085935 |
1 |
ON4C8H12 |
AB4C8D12 |
16.56 |
2.53 |
-10.03 |
-0.58 |
0 |
|
|
412992 |
135085936 |
1 |
SiO2C14H24 |
AB2C14D24 |
-136.37 |
6.15 |
-9.33 |
0.41 |
0 |
|
|
412993 |
135085937 |
1 |
C5O6H10 |
A5B6C10 |
-276.54 |
0.93 |
-10.65 |
0.82 |
0 |
|
|
412994 |
135085938 |
1 |
O5C9H12 |
A5B9C12 |
-180.65 |
3.86 |
-10.43 |
0.17 |
0 |
|
|
412995 |
135085939 |
2 |
OC7H9 |
AB7C9 |
-22.28 |
1.71 |
-9.88 |
0.83 |
0 |
|
|
412996 |
135085940 |
1 |
OSeN3H7C8 |
ABC3D7E8 |
71.6 |
5.53 |
-8.92 |
-1.25 |
0 |
|
|
412997 |
135085941 |
1 |
N2O2C7H10 |
A2B2C7D10 |
-26.85 |
1.14 |
-9.15 |
-0.76 |
1 |
|
|
412998 |
135085942 |
1 |
N2O2C7H11 |
A2B2C7D11 |
-14.96 |
5.73 |
0.0 |
0.0 |
0 |
|
|
412999 |
135085943 |
1 |
N2C3Cl4 |
A2B3C4 |
57.5 |
2.81 |
-11.1 |
-1.69 |
0 |
|
|
413000 |
135085944 |
1 |
NSO2C12H23 |
ABC2D12E23 |
-98.4 |
3.63 |
-9.96 |
0.41 |
0 |
|
|
413001 |
135085945 |
1 |
NSiO3C18H27 |
ABC3D18E27 |
-170.59 |
4.61 |
-8.76 |
0.31 |
0 |
|
|
413002 |
135085946 |
1 |
NOSF3C8H14 |
ABCD3E8F14 |
-202.3 |
2.78 |
-8.71 |
-0.32 |
0 |
|
|
413003 |
135085947 |
1 |
N2O3C12H14 |
A2B3C12D14 |
-100.22 |
1.63 |
-9.22 |
-0.21 |
0 |
|
|
413004 |
135085948 |
1 |
ClNC15H18 |
ABC15D18 |
57.8 |
2.64 |
-8.95 |
0.23 |
0 |
|
|
413005 |
135085949 |
1 |
NSC13H13 |
ABC13D13 |
58.91 |
1.66 |
-8.72 |
-0.71 |
0 |
|
|
413006 |
135085950 |
1 |
O5C17H30 |
A5B17C30 |
-259.6 |
2.82 |
-10.68 |
-0.35 |
0 |
|
|
413007 |
135085951 |
1 |
N4O5C15H28 |
A4B5C15D28 |
-157.37 |
6.83 |
-9.58 |
-0.19 |
0 |
|
|
413008 |
135085952 |
1 |
N2O3C22H26 |
A2B3C22D26 |
-76.72 |
2.25 |
-9.12 |
-0.57 |
0 |
|
|
413009 |
135085953 |
1 |
N2O3C19H28 |
A2B3C19D28 |
-112.56 |
4.14 |
-8.83 |
-0.62 |
0 |
|
|
413010 |
135085954 |
2 |
NOC6H6 |
ABC6D6 |
4.63 |
1.17 |
-9.2 |
-0.8 |
1 |
|
|
413011 |
135085955 |
1 |
N2O2C12H13 |
A2B2C12D13 |
14.33 |
4.15 |
0.0 |
0.0 |
0 |
|
|
413012 |
135085956 |
2 |
N2C6H7 |
A2B6C7 |
136.73 |
4.9 |
-8.28 |
-0.06 |
0 |
|
|
413013 |
135085957 |
1 |
SO2N4H22C29 |
AB2C4D22E29 |
157.45 |
6.03 |
-8.6 |
-0.68 |
0 |
|
|
413014 |
135085958 |
2 |
OC6H12 |
AB6C12 |
-136.74 |
2.62 |
-9.7 |
1.2 |
0 |
|
|
413015 |
135085959 |
1 |
SN2O3H22C25 |
AB2C3D22E25 |
-24.17 |
5.98 |
-8.75 |
-0.67 |
0 |
|
|
413016 |
135085960 |
1 |
FNSiC12H20 |
ABCD12E20 |
-81.98 |
3.08 |
-8.6 |
0.15 |
0 |
|
|
413017 |
135085961 |
1 |
NF2H5C9 |
AB2C5D9 |
-28.6 |
4.24 |
-10.02 |
-0.89 |
0 |
|
|
413018 |
135085962 |
1 |
SF2O3H12C15 |
AB2C3D12E15 |
-163.41 |
6.47 |
-8.95 |
-0.85 |
0 |
|
|
413019 |
135085963 |
1 |
O3C13H22 |
A3B13C22 |
-148.01 |
3.94 |
-10.04 |
0.32 |
0 |
|
|
413020 |
135085964 |
1 |
NOC14H15 |
ABC14D15 |
-14.57 |
3.72 |
-8.79 |
-0.91 |
0 |
|
|
413021 |
135085965 |
1 |
BrNSO2H16C22 |
ABCD2E16F22 |
16.2 |
4.25 |
-8.92 |
-1.1 |
0 |
|
|
413022 |
135085966 |
1 |
NSO3C12H17 |
ABC3D12E17 |
-92.17 |
6.24 |
-9.56 |
-0.38 |
0 |
|
|
413023 |
135085967 |
1 |
NSO3C13H19 |
ABC3D13E19 |
-98.81 |
6.38 |
-9.62 |
-0.41 |
0 |
|
|
413024 |
135085968 |
1 |
OH14C17 |
AB14C17 |
17.31 |
1.78 |
-8.75 |
-0.82 |
0 |
|
|
413025 |
135085969 |
1 |
OF3H15C22 |
AB3C15D22 |
-106.68 |
4.3 |
-9.58 |
-0.99 |
0 |
|
|
413026 |
135085970 |
1 |
O2F3H13C17 |
A2B3C13D17 |
-171.25 |
5.34 |
-9.5 |
-0.84 |
0 |
|
|
413027 |
135085971 |
1 |
SN2O2H18C19 |
AB2C2D18E19 |
9.2 |
4.72 |
-9.35 |
-0.94 |
0 |
|
|
413028 |
135085972 |
1 |
SN2O4C15H16 |
AB2C4D15E16 |
-103.76 |
5.64 |
-9.54 |
-0.84 |
0 |
|
|
413029 |
135085973 |
1 |
O5C15H18 |
A5B15C18 |
-194.02 |
2.47 |
-9.68 |
-0.4 |
0 |
|
|
413030 |
135085974 |
1 |
ClNOF3H9C11 |
ABCD3E9F11 |
-181.54 |
4.8 |
-9.71 |
-0.69 |
0 |
|
|
413031 |
135085975 |
1 |
ClNOF3H9C11 |
ABCD3E9F11 |
-181.06 |
3.29 |
-9.6 |
-0.51 |
0 |
|
|
413032 |
135085976 |
1 |
IO3H19C20 |
AB3C19D20 |
28.97 |
9.0 |
-8.74 |
-2.94 |
0 |
|
|
413033 |
135085977 |
1 |
ClOSH13C18 |
ABCD13E18 |
94.54 |
2.12 |
-8.75 |
-0.4 |
0 |
|
|
413034 |
135085978 |
1 |
FOSeH13C18 |
ABCD13E18 |
62.91 |
3.14 |
-8.7 |
-0.42 |
0 |
|
|
413035 |
135085979 |
1 |
OSC20H28 |
ABC20D28 |
2.81 |
3.95 |
-8.51 |
-0.23 |
0 |
|
|
413036 |
135085980 |
1 |
OSeC20H28 |
ABC20D28 |
-26.49 |
2.17 |
-8.2 |
-0.01 |
0 |
|
|
413037 |
135085981 |
1 |
OC19H20 |
AB19C20 |
35.07 |
2.6 |
-9.32 |
0.22 |
0 |
|
|
413038 |
135085982 |
1 |
OH16C18 |
AB16C18 |
53.97 |
1.97 |
-9.39 |
0.11 |
0 |
|
|
413039 |
135085983 |
1 |
NO2C13H13 |
AB2C13D13 |
-21.29 |
5.46 |
-9.11 |
-0.09 |
0 |
|
|
413040 |
135085984 |
1 |
PSiN4O13C47H59 |
ABC4D13E47F59 |
-575.79 |
9.32 |
-8.93 |
-0.38 |
0 |
|
|
413041 |
135085985 |
1 |
PSiN4O13C47H59 |
ABC4D13E47F59 |
-577.78 |
8.03 |
-9.01 |
-0.55 |
0 |
|
|
413042 |
135085986 |
1 |
PO2F6H9C14 |
AB2C6D9E14 |
-398.96 |
1.87 |
-10.62 |
-1.25 |
0 |
|
|
413043 |
135085987 |
1 |
O3C11H16 |
A3B11C16 |
-89.6 |
2.92 |
-9.91 |
-0.04 |
0 |
|
|
413044 |
135085988 |
1 |
NOSF3H12C17 |
ABCD3E12F17 |
-133.03 |
5.12 |
-9.12 |
-1.01 |
0 |
|
|
413045 |
135085989 |
1 |
NSO2H15C17 |
ABC2D15E17 |
-12.91 |
5.51 |
-8.71 |
-0.48 |
0 |
|
|
413046 |
135085990 |
1 |
ClN2O2C11H11 |
AB2C2D11E11 |
-16.84 |
1.56 |
-8.84 |
-0.86 |
0 |
|
|
413047 |
135085991 |
1 |
PF2O3C16H17 |
AB2C3D16E17 |
-243.41 |
4.16 |
-9.28 |
-0.29 |
0 |
|
|
413048 |
135085992 |
1 |
PF2O3C16H17 |
AB2C3D16E17 |
-247.12 |
5.25 |
-9.44 |
-0.25 |
0 |
|
|
413049 |
135085993 |
1 |
O3C16H20 |
A3B16C20 |
-113.81 |
5.76 |
-9.69 |
-0.64 |
0 |
|
|
413050 |
135085994 |
1 |
ClO3H15C21 |
AB3C15D21 |
-44.21 |
1.32 |
-9.69 |
-0.82 |
0 |
|
|
413051 |
135085995 |
1 |
FNO3C12H14 |
ABC3D12E14 |
-120.04 |
1.57 |
-9.84 |
-0.86 |
0 |
|
|
413053 |
135085997 |
1 |
N3O6C33H35 |
A3B6C33D35 |
-204.41 |
8.18 |
-8.55 |
-0.82 |
0 |
|
|
413054 |
135085998 |
1 |
BrN2O8H33C34 |
AB2C8D33E34 |
-234.61 |
6.3 |
-8.21 |
-0.68 |
0 |
|
|
413055 |
135085999 |
1 |
BrF3O3H10C13 |
AB3C3D10E13 |
-246.46 |
3.32 |
-10.25 |
-1.31 |
0 |
|
|
413056 |
135086000 |
2 |
O2C7H9 |
A2B7C9 |
-154.82 |
0.68 |
-9.18 |
-0.52 |
0 |
|
|
413057 |
135086001 |
1 |
O3C14H16 |
A3B14C16 |
-104.79 |
3.28 |
-9.54 |
-0.28 |
1 |