List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
338973 |
127259984 |
1 |
NSO3C12H19 |
ABC3D12E19 |
-106.54 |
5.44 |
-8.66 |
-0.69 |
0 |
|
|
338974 |
127259985 |
1 |
NSO3C15H25 |
ABC3D15E25 |
-119.21 |
5.23 |
-8.66 |
-0.68 |
0 |
|
|
338975 |
127259986 |
1 |
NSO3C16H27 |
ABC3D16E27 |
-124.61 |
5.49 |
-8.52 |
-0.69 |
0 |
|
|
338976 |
127259987 |
1 |
NO3S4H7C10 |
AB3C4D7E10 |
-39.34 |
3.63 |
-9.42 |
-2.42 |
0 |
|
|
338977 |
127259988 |
1 |
NS3O4H7C10 |
AB3C4D7E10 |
-96.3 |
3.32 |
-9.5 |
-2.03 |
0 |
|
|
338978 |
127259989 |
1 |
SN2O4C11H16 |
AB2C4D11E16 |
-164.5 |
9.89 |
-9.49 |
-0.64 |
0 |
|
|
338979 |
127259990 |
1 |
PS2O6C18H23 |
AB2C6D18E23 |
-284.39 |
5.95 |
-8.99 |
-0.96 |
0 |
|
|
338980 |
127259991 |
1 |
SO3N4H16C19 |
AB3C4D16E19 |
35.09 |
7.15 |
-8.69 |
-1.02 |
0 |
|
|
338981 |
127259992 |
1 |
BrSO3C14H21 |
ABC3D14E21 |
-137.44 |
3.7 |
-10.31 |
-0.73 |
0 |
|
|
338982 |
127259993 |
1 |
BrSO3C14H21 |
ABC3D14E21 |
-133.26 |
6.59 |
-10.32 |
-0.86 |
0 |
|
|
338983 |
127259994 |
1 |
BrSO3C16H17 |
ABC3D16E17 |
-85.73 |
2.9 |
-9.33 |
-0.89 |
0 |
|
|
338984 |
127259995 |
1 |
BrSO4H15C20 |
ABC4D15E20 |
-67.28 |
5.52 |
-9.73 |
-0.85 |
0 |
|
|
338985 |
127259996 |
1 |
BrSO4H11C14 |
ABC4D11E14 |
-97.68 |
5.15 |
-9.93 |
-1.09 |
0 |
|
|
338986 |
127259997 |
1 |
BrClSO3C13H14 |
ABCD3E13F14 |
-109.95 |
6.5 |
-10.35 |
-0.97 |
0 |
|
|
338987 |
127259998 |
1 |
BrNSO3H10C15 |
ABCD3E10F15 |
-32.8 |
4.35 |
-9.06 |
-1.0 |
0 |
|
|
338988 |
127259999 |
1 |
BrSO3H15C20 |
ABC3D15E20 |
-40.66 |
2.81 |
-9.01 |
-0.68 |
0 |
|
|
338989 |
127260000 |
1 |
BrSO3C24H41 |
ABC3D24E41 |
-186.41 |
6.44 |
-10.16 |
-0.92 |
0 |
|
|
338990 |
127260001 |
1 |
BrNSO4C11H12 |
ABCD4E11F12 |
-138.6 |
6.63 |
-9.67 |
-1.11 |
0 |
|
|
338991 |
127260002 |
1 |
BrClSO3H10C13 |
ABCD3E10F13 |
-74.18 |
4.25 |
-9.57 |
-0.93 |
0 |
|
|
338992 |
127260003 |
1 |
ClNSO3H10C15 |
ABCD3E10F15 |
-45.17 |
4.34 |
-9.03 |
-0.98 |
0 |
|
|
338993 |
127260004 |
1 |
SO3C22H38 |
AB3C22D38 |
-180.62 |
4.03 |
-10.24 |
-0.66 |
0 |
|
|
338994 |
127260005 |
1 |
SO3C21H36 |
AB3C21D36 |
-172.57 |
4.04 |
-10.23 |
-0.62 |
0 |
|
|
338995 |
127260006 |
1 |
SO4C14H18 |
AB4C14D18 |
-117.35 |
5.57 |
-9.82 |
-0.88 |
0 |
|
|
338996 |
127260007 |
1 |
S2O4C15H18 |
A2B4C15D18 |
-123.11 |
4.55 |
-9.02 |
-0.78 |
0 |
|
|
338997 |
127260008 |
1 |
S2O3C15H18 |
A2B3C15D18 |
-90.31 |
4.23 |
-8.88 |
-0.74 |
0 |
|
|
338998 |
127260009 |
1 |
SO3C15H18 |
AB3C15D18 |
-85.94 |
4.01 |
-9.21 |
-0.76 |
0 |
|
|
338999 |
127260010 |
1 |
SO3C14H18 |
AB3C14D18 |
-100.78 |
4.41 |
-10.02 |
-0.68 |
0 |
|
|
339000 |
127260011 |
1 |
S2O3C13H14 |
A2B3C13D14 |
-80.81 |
4.48 |
-8.99 |
-0.82 |
0 |
|
|
339001 |
127260012 |
1 |
FNSO4H10C12 |
ABCD4E10F12 |
-119.3 |
6.82 |
-8.94 |
-0.94 |
0 |
|
|
339002 |
127260013 |
1 |
FSO4H9C12 |
ABC4D9E12 |
-158.25 |
7.65 |
-9.06 |
-1.18 |
0 |
|
|
339003 |
127260014 |
1 |
INSO3H10C15 |
ABCD3E10F15 |
-18.63 |
4.21 |
-9.04 |
-1.19 |
0 |
|
|
339004 |
127260015 |
1 |
SO6C16H18 |
AB6C16D18 |
-183.48 |
5.15 |
-8.09 |
-0.62 |
0 |
|
|
339005 |
127260016 |
1 |
BrSO4H13C14 |
ABC4D13E14 |
-106.36 |
4.77 |
-9.06 |
-0.73 |
0 |
|
|
339006 |
127260017 |
1 |
ClSO4H13C14 |
ABC4D13E14 |
-120.69 |
7.19 |
-9.1 |
-0.73 |
0 |
|
|
339007 |
127260018 |
1 |
SO4H14C17 |
AB4C14D17 |
-94.04 |
4.64 |
-8.32 |
-0.95 |
0 |
|
|
339008 |
127260019 |
1 |
SO5H14C15 |
AB5C14D15 |
-142.91 |
5.62 |
-9.27 |
-0.87 |
0 |
|
|
339009 |
127260020 |
1 |
NSO4H13C16 |
ABC4D13E16 |
-78.55 |
5.64 |
-8.81 |
-0.71 |
0 |
|
|
339010 |
127260021 |
1 |
SO4C13H18 |
AB4C13D18 |
-156.95 |
5.74 |
-9.63 |
-0.7 |
0 |
|
|
339011 |
127260022 |
1 |
SO4F5H7C13 |
AB4C5D7E13 |
-325.07 |
6.84 |
-9.61 |
-1.24 |
0 |
|
|
339012 |
127260023 |
1 |
SO4C14H14 |
AB4C14D14 |
-113.98 |
5.4 |
-9.04 |
-0.66 |
0 |
|
|
339013 |
127260024 |
1 |
SN2O4C14H14 |
AB2C4D14E14 |
-76.81 |
5.97 |
-9.16 |
-0.75 |
0 |
|
|
339014 |
127260025 |
1 |
SO6C18H20 |
AB6C18D20 |
-210.26 |
6.88 |
-9.84 |
-0.65 |
0 |
|
|
339015 |
127260026 |
1 |
SO3C17H28 |
AB3C17D28 |
-148.55 |
4.56 |
-10.32 |
-0.73 |
0 |
|
|
339016 |
127260027 |
1 |
NSO3H17C19 |
ABC3D17E19 |
-25.2 |
5.68 |
-8.74 |
-0.82 |
0 |
|
|
339017 |
127260028 |
1 |
SO3C16H26 |
AB3C16D26 |
-143.83 |
4.51 |
-10.33 |
-0.75 |
0 |
|
|
339018 |
127260029 |
1 |
NSO5C13H15 |
ABC5D13E15 |
-101.2 |
5.19 |
-10.52 |
-1.04 |
0 |
|
|
339019 |
127260030 |
1 |
NSO5C15H19 |
ABC5D15E19 |
-118.16 |
3.5 |
-9.62 |
-0.84 |
0 |
|
|
339020 |
127260031 |
1 |
NSO5C11H13 |
ABC5D11E13 |
-118.83 |
5.02 |
-10.36 |
-0.81 |
0 |
|
|
339021 |
127260032 |
1 |
NS2O4C22H23 |
AB2C4D22E23 |
-102.62 |
3.48 |
-7.72 |
-0.77 |
0 |
|
|
339022 |
127260033 |
1 |
BrS2O4H21C22 |
AB2C4D21E22 |
-96.3 |
6.11 |
-8.3 |
-0.94 |
0 |
|
|
339023 |
127260034 |
1 |
BrS2O4H13C18 |
AB2C4D13E18 |
-83.66 |
5.34 |
-8.5 |
-1.03 |
0 |
|
|
339024 |
127260035 |
1 |
BrS2O4H19C21 |
AB2C4D19E21 |
-91.14 |
7.67 |
-8.26 |
-0.95 |
0 |
|
|
339025 |
127260036 |
1 |
SO6H12C14 |
AB6C12D14 |
-189.27 |
6.24 |
-9.83 |
-1.33 |
0 |
|
|
339026 |
127260037 |
1 |
SO3C21H36 |
AB3C21D36 |
-175.76 |
3.97 |
-10.24 |
-0.62 |
0 |
|
|
339027 |
127260038 |
1 |
SO4C32H40 |
AB4C32D40 |
-130.83 |
4.57 |
-9.4 |
-0.88 |
0 |
|
|
339028 |
127260039 |
1 |
SO4C15H16 |
AB4C15D16 |
-132.28 |
5.32 |
-8.67 |
-0.79 |
0 |
|
|
339029 |
127260040 |
1 |
SO3C15H24 |
AB3C15D24 |
-141.53 |
3.81 |
-10.26 |
-0.68 |
0 |
|
|
339030 |
127260041 |
1 |
NSF5O5H6C18 |
ABC5D5E6F18 |
-282.39 |
10.78 |
-9.46 |
-2.43 |
0 |
|
|
339031 |
127260042 |
2 |
BrSO3H6C8 |
ABC3D6E8 |
-153.81 |
8.04 |
-10.14 |
-1.73 |
0 |
|
|
339032 |
127260043 |
2 |
ClSO3H6C8 |
ABC3D6E8 |
-175.11 |
7.93 |
-10.16 |
-1.41 |
0 |
|
|
339033 |
127260044 |
1 |
SO5H20C25 |
AB5C20D25 |
-108.43 |
3.36 |
-8.78 |
-0.95 |
0 |
|
|
339034 |
127260045 |
1 |
NSO5C16H17 |
ABC5D16E17 |
-92.59 |
3.28 |
-9.55 |
-0.95 |
0 |
|
|
339035 |
127260046 |
1 |
NSO5C15H15 |
ABC5D15E15 |
-90.29 |
1.59 |
-9.64 |
-0.99 |
0 |
|
|
339036 |
127260047 |
1 |
NSO5H11C13 |
ABC5D11E13 |
-82.08 |
3.17 |
-9.65 |
-0.99 |
0 |
|
|
339037 |
127260048 |
1 |
NSO5H13C14 |
ABC5D13E14 |
-85.34 |
3.36 |
-9.51 |
-1.12 |
0 |
|
|
339038 |
127260049 |
1 |
NSO5C16H17 |
ABC5D16E17 |
-88.97 |
8.31 |
-9.63 |
-1.2 |
0 |
|
|
339039 |
127260050 |
1 |
NSO5C15H15 |
ABC5D15E15 |
-87.29 |
8.38 |
-9.66 |
-1.21 |
0 |
|
|
339040 |
127260051 |
1 |
NSO5C16H17 |
ABC5D16E17 |
-92.48 |
7.91 |
-9.5 |
-1.14 |
0 |
|
|
339041 |
127260052 |
1 |
NSO5C15H15 |
ABC5D15E15 |
-88.63 |
8.22 |
-9.58 |
-1.13 |
0 |
|
|
339042 |
127260053 |
1 |
NSO5H13C14 |
ABC5D13E14 |
-83.86 |
8.3 |
-9.53 |
-1.14 |
0 |
|
|
339043 |
127260054 |
1 |
NSO5H21C22 |
ABC5D21E22 |
-99.27 |
2.35 |
-9.33 |
-1.37 |
0 |
|
|
339044 |
127260055 |
1 |
NSO4C13H19 |
ABC4D13E19 |
-171.79 |
8.51 |
-9.28 |
-0.98 |
0 |
|
|
339045 |
127260056 |
1 |
SN3O4C13H13 |
AB3C4D13E13 |
-75.92 |
5.92 |
-8.64 |
-0.84 |
0 |
|
|
339046 |
127260057 |
1 |
SN3O3C17H19 |
AB3C3D17E19 |
-57.38 |
8.2 |
-8.73 |
-0.59 |
0 |
|
|
339047 |
127260058 |
1 |
SN3O4H17C19 |
AB3C4D17E19 |
-67.89 |
7.58 |
-8.33 |
-1.04 |
0 |
|
|
339048 |
127260059 |
1 |
SN4O5H16C17 |
AB4C5D16E17 |
-35.93 |
6.51 |
-9.03 |
-1.23 |
0 |
|
|
339049 |
127260060 |
1 |
SN3O3C14H21 |
AB3C3D14E21 |
-96.3 |
6.77 |
-9.31 |
-0.82 |
0 |
|
|
339050 |
127260061 |
1 |
SN4O4C12H14 |
AB4C4D12E14 |
-78.63 |
6.22 |
-8.39 |
-0.82 |
0 |
|
|
339051 |
127260062 |
1 |
SO2N3C13H13 |
AB2C3D13E13 |
3.11 |
6.75 |
-8.27 |
-0.61 |
0 |
|
|
339052 |
127260063 |
1 |
BrSCl2O3H7C12 |
ABC2D3E7F12 |
-77.79 |
6.91 |
-9.19 |
-1.22 |
0 |
|
|
339053 |
127260064 |
1 |
BrNSO3H8C11 |
ABCD3E8F11 |
-57.19 |
4.6 |
-9.77 |
-0.94 |
0 |
|
|
339054 |
127260065 |
1 |
ClSO5C13H15 |
ABC5D13E15 |
-207.79 |
2.04 |
-10.24 |
-0.74 |
0 |
|
|
339055 |
127260066 |
1 |
NSO5H17C20 |
ABC5D17E20 |
-91.15 |
2.82 |
-9.39 |
-1.5 |
0 |
|
|
339056 |
127260067 |
1 |
FS2O6C22H29 |
AB2C6D22E29 |
-280.36 |
5.46 |
-10.3 |
-0.84 |
0 |
|
|
339057 |
127260068 |
1 |
SO6C14H18 |
AB6C14D18 |
-237.75 |
3.39 |
-10.19 |
-0.68 |
0 |
|
|
339058 |
127260069 |
1 |
PSN2O5C16H19 |
ABC2D5E16F19 |
-194.04 |
4.22 |
-9.02 |
-0.54 |
0 |
|
|
339059 |
127260070 |
1 |
ClSN3O4H10C13 |
ABC3D4E10F13 |
-7.78 |
4.81 |
-9.65 |
-1.73 |
0 |
|
|
339060 |
127260071 |
1 |
NCl2S2O5H9C12 |
AB2C2D5E9F12 |
-152.12 |
7.64 |
-9.56 |
-1.21 |
0 |
|
|
339061 |
127260072 |
1 |
NSO5H13C14 |
ABC5D13E14 |
-82.96 |
8.61 |
-9.79 |
-1.19 |
0 |
|
|
339062 |
127260073 |
1 |
SN3O4C16H17 |
AB3C4D16E17 |
-90.07 |
3.38 |
-8.39 |
-0.78 |
0 |
|
|
339063 |
127260074 |
1 |
SO2N3C12H17 |
AB2C3D12E17 |
-23.45 |
5.74 |
-8.78 |
-0.57 |
0 |
|
|
339064 |
127260075 |
1 |
NSO3C14H15 |
ABC3D14E15 |
-56.26 |
2.66 |
-8.52 |
-0.55 |
0 |
|
|
339065 |
127260076 |
2 |
ClOSH4C6 |
ABCD4E6 |
-39.7 |
5.63 |
-9.4 |
-1.26 |
0 |
|
|
339066 |
127260077 |
1 |
S2O3H12C13 |
A2B3C12D13 |
-77.83 |
4.81 |
-8.83 |
-1.01 |
0 |
|
|
339067 |
127260078 |
1 |
ClNO2S3H8C13 |
ABC2D3E8F13 |
-7.88 |
5.7 |
-9.25 |
-1.33 |
0 |
|
|
339068 |
127260079 |
1 |
ClO2S2H9C12 |
AB2C2D9E12 |
-34.29 |
6.23 |
-9.19 |
-1.18 |
0 |
|
|
339069 |
127260080 |
1 |
S2O3H12C13 |
A2B3C12D13 |
-64.13 |
4.83 |
-8.68 |
-0.98 |
0 |
|
|
339070 |
127260081 |
2 |
OSH9C10 |
ABC9D10 |
-11.34 |
4.89 |
-9.16 |
-0.77 |
0 |
|
|
339071 |
127260082 |
1 |
O2S2C11H16 |
A2B2C11D16 |
-77.08 |
4.82 |
-9.39 |
-0.87 |
0 |
|
|
339072 |
127260324 |
4 |
OH3C4 |
AB3C4 |
-96.81 |
6.56 |
-9.51 |
-1.57 |
0 |