List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
133011 |
51461559 |
1 |
S2O6N9C16H17 |
A2B6C9D16E17 |
-10.7 |
4.59 |
-9.69 |
-1.39 |
-1 |
|
|
133012 |
51461560 |
1 |
S2O6N9C16H16 |
A2B6C9D16E16 |
36.91 |
3.43 |
0.0 |
0.0 |
0 |
|
|
133013 |
51461561 |
1 |
S2O6N9C16H17 |
A2B6C9D16E17 |
-13.95 |
8.37 |
-9.43 |
-1.54 |
-1 |
|
|
133014 |
51461592 |
1 |
SN4O6C16H17 |
AB4C6D16E17 |
-144.27 |
2.32 |
0.0 |
0.0 |
0 |
|
|
133015 |
51461971 |
1 |
SCl2N2O4H18C20 |
AB2C2D4E18F20 |
-149.09 |
3.5 |
-9.19 |
-1.51 |
1 |
|
|
133016 |
51462977 |
1 |
SO2N6C25H39 |
AB2C6D25E39 |
-25.57 |
3.22 |
0.0 |
0.0 |
-1 |
|
|
133017 |
51463004 |
1 |
NO6H30C31 |
AB6C30D31 |
-104.6 |
5.29 |
0.0 |
0.0 |
-1 |
|
|
133018 |
51463005 |
1 |
N2O5H25C28 |
A2B5C25D28 |
-48.76 |
19.52 |
0.0 |
0.0 |
-1 |
|
|
133019 |
51463006 |
1 |
NCl2O4H22C28 |
AB2C4D22E28 |
-59.87 |
7.4 |
0.0 |
0.0 |
-1 |
|
|
133020 |
51463007 |
1 |
NCl2O4H22C28 |
AB2C4D22E28 |
-61.5 |
6.85 |
0.0 |
0.0 |
-1 |
|
|
133021 |
51463008 |
1 |
NO6C26H28 |
AB6C26D28 |
-156.73 |
6.35 |
0.0 |
0.0 |
-1 |
|
|
133022 |
51463009 |
1 |
NO7C27H30 |
AB7C27D30 |
-184.33 |
5.89 |
0.0 |
0.0 |
-1 |
|
|
133023 |
51463010 |
1 |
NO7H26C29 |
AB7C26D29 |
-144.49 |
5.79 |
0.0 |
0.0 |
0 |
|
|
133024 |
51463882 |
1 |
SO2N6C26H38 |
AB2C6D26E38 |
-65.01 |
6.57 |
-8.92 |
-0.61 |
1 |
|
|
133025 |
51464534 |
1 |
SN5O7C21H30 |
AB5C7D21E30 |
-214.1 |
7.41 |
0.0 |
0.0 |
0 |
|
|
133026 |
51464808 |
1 |
NCl2O4H13C18 |
AB2C4D13E18 |
-105.95 |
3.55 |
-9.25 |
-1.33 |
0 |
|
|
133027 |
51464860 |
1 |
SO2F4N4H20C22 |
AB2C4D4E20F22 |
-178.48 |
11.33 |
-9.04 |
-1.02 |
0 |
|
|
133028 |
51464983 |
1 |
N3O4C31H31 |
A3B4C31D31 |
-72.81 |
7.91 |
-8.52 |
-0.5 |
0 |
|
|
133029 |
51465050 |
1 |
SN3O5C19H25 |
AB3C5D19E25 |
-173.17 |
6.29 |
-9.47 |
-1.24 |
0 |
|
|
133030 |
51465051 |
1 |
SN4O6C20H20 |
AB4C6D20E20 |
-169.19 |
12.06 |
-9.8 |
-1.0 |
0 |
|
|
133031 |
51465052 |
1 |
SN4O6C20H20 |
AB4C6D20E20 |
-168.75 |
10.65 |
-10.03 |
-1.36 |
0 |
|
|
133032 |
51465175 |
1 |
OF3N4C26H27 |
AB3C4D26E27 |
-123.9 |
5.47 |
-9.23 |
-1.6 |
0 |
|
|
133033 |
51465729 |
1 |
NO6H29C32 |
AB6C29D32 |
-162.85 |
10.0 |
-9.15 |
-0.66 |
0 |
|
|
133034 |
51465887 |
1 |
OS2N5C29H29 |
AB2C5D29E29 |
96.47 |
7.48 |
-8.4 |
-1.1 |
0 |
|
|
133035 |
51465888 |
1 |
OS2N5C29H29 |
AB2C5D29E29 |
95.54 |
5.25 |
-8.42 |
-1.16 |
0 |
|
|
133036 |
51465910 |
1 |
SN2O4C30H30 |
AB2C4D30E30 |
-85.6 |
8.08 |
-8.28 |
-0.54 |
0 |
|
|
133037 |
51465970 |
1 |
BrSO2N5C20H20 |
ABC2D5E20F20 |
36.76 |
7.34 |
-9.0 |
-1.29 |
1 |
|
|
133038 |
51466488 |
1 |
SO2N3C19H22 |
AB2C3D19E22 |
-39.4 |
4.28 |
0.0 |
0.0 |
0 |
|
|
133039 |
51466899 |
1 |
ClNO2C12H14 |
ABC2D12E14 |
-60.32 |
6.15 |
-8.58 |
-0.21 |
0 |
|
|
133040 |
51467367 |
1 |
BrO2N3H20C25 |
AB2C3D20E25 |
50.87 |
6.04 |
-8.78 |
-0.82 |
-1 |
|
|
133041 |
51467384 |
1 |
N3O5H20C26 |
A3B5C20D26 |
-8.2 |
18.08 |
0.0 |
0.0 |
-1 |
|
|
133042 |
51467915 |
1 |
SCl2O3N4H17C20 |
AB2C3D4E17F20 |
17.74 |
2.32 |
0.0 |
0.0 |
1 |
|
|
133043 |
51467994 |
1 |
OSF3N5H19C24 |
ABC3D5E19F24 |
-57.79 |
7.85 |
0.0 |
0.0 |
1 |
|
|
133044 |
51467995 |
1 |
OSN5H26C30 |
ABC5D26E30 |
117.17 |
8.55 |
0.0 |
0.0 |
1 |
|
|
133045 |
51467996 |
1 |
Cl2F3N3O3H13C16 |
A2B3C3D3E13F16 |
-175.78 |
5.99 |
0.0 |
0.0 |
0 |
|
|
133046 |
51468029 |
1 |
N2O2C13H18 |
A2B2C13D18 |
-82.88 |
3.17 |
-8.67 |
0.31 |
1 |
|
|
133047 |
51468032 |
1 |
SO4N7C23H26 |
AB4C7D23E26 |
-81.81 |
3.83 |
0.0 |
0.0 |
0 |
|
|
133048 |
51468047 |
1 |
SN3O3H23C24 |
AB3C3D23E24 |
-17.84 |
3.92 |
-8.18 |
-1.05 |
1 |
|
|
133049 |
51468048 |
1 |
SN3O3C24H24 |
AB3C3D24E24 |
-6.9 |
15.21 |
0.0 |
0.0 |
0 |
|
|
133050 |
51468108 |
1 |
O2N4C23H24 |
A2B4C23D24 |
-9.69 |
3.54 |
-8.96 |
-0.32 |
0 |
|
|
133051 |
51468178 |
1 |
ClO3N5H14C17 |
AB3C5D14E17 |
-3.23 |
6.29 |
-9.01 |
-1.8 |
0 |
|
|
133052 |
51468188 |
1 |
SN3O4C22H27 |
AB3C4D22E27 |
-130.36 |
5.47 |
-9.06 |
-0.53 |
0 |
|
|
133053 |
51468229 |
1 |
Cl2O3N5H17C20 |
A2B3C5D17E20 |
-36.21 |
5.3 |
-9.26 |
-1.01 |
0 |
|
|
133054 |
51468348 |
1 |
ClOSN4H17C22 |
ABCD4E17F22 |
75.7 |
2.41 |
-8.94 |
-1.5 |
0 |
|
|
133055 |
51468587 |
1 |
O4N6C21H22 |
A4B6C21D22 |
-27.32 |
2.64 |
-9.18 |
-0.78 |
0 |
|
|
133056 |
51468611 |
1 |
ClNO5C25H26 |
ABC5D25E26 |
-166.31 |
8.07 |
-8.78 |
-0.64 |
0 |
|
|
133057 |
51469166 |
1 |
NSO5C26H27 |
ABC5D26E27 |
-155.07 |
5.81 |
-8.45 |
-0.52 |
-1 |
|
|
133058 |
51470380 |
1 |
SO2N4C21H23 |
AB2C4D21E23 |
19.26 |
3.77 |
0.0 |
0.0 |
0 |
|
|
133059 |
51470420 |
2 |
NO3C10H15 |
AB3C10D15 |
-269.0 |
5.72 |
-8.84 |
-0.89 |
0 |
|
|
133060 |
51470726 |
1 |
SO2N5C27H43 |
AB2C5D27E43 |
-104.04 |
6.02 |
-8.62 |
-0.36 |
0 |
|
|
133061 |
51470936 |
1 |
SO2N5C27H41 |
AB2C5D27E41 |
-89.47 |
3.58 |
-8.51 |
-0.18 |
1 |
|
|
133062 |
51471353 |
1 |
O2N7H22C23 |
A2B7C22D23 |
85.54 |
8.58 |
0.0 |
0.0 |
0 |
|
|
133063 |
51471484 |
1 |
O2S2N3C22H25 |
A2B2C3D22E25 |
-29.19 |
3.27 |
-9.05 |
-0.32 |
0 |
|
|
133064 |
51471485 |
1 |
O2S2N3C22H25 |
A2B2C3D22E25 |
-28.45 |
7.39 |
-9.05 |
-0.58 |
-1 |
|
|
133065 |
51471665 |
1 |
O3N4H7C10 |
A3B4C7D10 |
16.12 |
2.52 |
0.0 |
0.0 |
-1 |
|
|
133066 |
51471666 |
1 |
BrSO2N5H9C13 |
ABC2D5E9F13 |
45.64 |
8.02 |
0.0 |
0.0 |
-1 |
|
|
133067 |
51471667 |
1 |
SO3N5H12C14 |
AB3C5D12E14 |
5.88 |
7.57 |
0.0 |
0.0 |
0 |
|
|
133068 |
51471786 |
1 |
FSO3N5C18H22 |
ABC3D5E18F22 |
-54.93 |
12.49 |
-9.27 |
-1.27 |
0 |
|
|
133069 |
51472854 |
1 |
SO2N5C24H39 |
AB2C5D24E39 |
-98.41 |
3.97 |
-9.06 |
-0.67 |
0 |
|
|
133070 |
51473102 |
1 |
FOS2N4C18H23 |
ABC2D4E18F23 |
-27.17 |
3.67 |
-8.55 |
-1.12 |
1 |
|
|
133071 |
51473103 |
1 |
SN4O5C27H31 |
AB4C5D27E31 |
-33.85 |
13.28 |
0.0 |
0.0 |
1 |
|
|
133072 |
51473280 |
1 |
ClSN2O3C17H22 |
ABC2D3E17F22 |
-56.28 |
5.98 |
0.0 |
0.0 |
0 |
|
|
133073 |
51473715 |
1 |
N4O5H16C22 |
A4B5C16D22 |
-95.79 |
5.48 |
-9.29 |
-1.55 |
-1 |
|
|
133074 |
51474082 |
1 |
SN3O4C13H14 |
AB3C4D13E14 |
-97.88 |
9.21 |
0.0 |
0.0 |
0 |
|
|
133075 |
51474325 |
1 |
N3S3O4C18H23 |
A3B3C4D18E23 |
-110.04 |
4.86 |
-9.11 |
-1.18 |
0 |
|
|
133076 |
51474326 |
1 |
S2O3N4H20C22 |
A2B3C4D20E22 |
16.15 |
5.71 |
-8.67 |
-1.01 |
0 |
|
|
133077 |
51474327 |
1 |
ClSN3O3H14C15 |
ABC3D3E14F15 |
-67.29 |
3.08 |
-9.23 |
-1.0 |
0 |
|
|
133078 |
51474328 |
1 |
ClSN3O3H14C15 |
ABC3D3E14F15 |
-64.02 |
3.36 |
-9.02 |
-0.73 |
0 |
|
|
133079 |
51474329 |
1 |
Cl2N3O4H11C15 |
A2B3C4D11E15 |
-88.66 |
4.68 |
-9.85 |
-1.88 |
0 |
|
|
133080 |
51474330 |
1 |
SCl2N3O3H21C22 |
AB2C3D3E21F22 |
-76.64 |
7.45 |
-8.86 |
-0.44 |
0 |
|
|
133081 |
51474331 |
1 |
SCl2N3O3H21C22 |
AB2C3D3E21F22 |
-77.92 |
6.21 |
-8.97 |
-0.51 |
0 |
|
|
133082 |
51474559 |
1 |
N2O4H18C23 |
A2B4C18D23 |
-16.12 |
6.55 |
-8.76 |
-1.18 |
0 |
|
|
133083 |
51474859 |
1 |
SO2N4C21H30 |
AB2C4D21E30 |
-41.29 |
3.01 |
-8.91 |
-0.28 |
0 |
|
|
133084 |
51474860 |
1 |
SF3O3N4C21H21 |
AB3C3D4E21F21 |
-198.33 |
9.34 |
-9.09 |
-0.84 |
0 |
|
|
133085 |
51474861 |
1 |
SF3O3N4C21H21 |
AB3C3D4E21F21 |
-196.16 |
10.87 |
-9.12 |
-0.72 |
0 |
|
|
133086 |
51474862 |
1 |
NSO6H23C24 |
ABC6D23E24 |
-183.67 |
6.69 |
-8.92 |
-1.18 |
0 |
|
|
133087 |
51474863 |
1 |
NSO6H23C24 |
ABC6D23E24 |
-181.4 |
3.42 |
-8.88 |
-0.93 |
0 |
|
|
133088 |
51474864 |
1 |
SN2O7C18H18 |
AB2C7D18E18 |
-177.76 |
8.25 |
-9.78 |
-1.54 |
0 |
|
|
133089 |
51474865 |
1 |
SN2O7C18H18 |
AB2C7D18E18 |
-179.52 |
8.91 |
-9.67 |
-1.46 |
0 |
|
|
133090 |
51474866 |
1 |
ClNSO5H22C24 |
ABCD5E22F24 |
-159.19 |
4.18 |
-8.93 |
-0.97 |
0 |
|
|
133091 |
51474920 |
1 |
SO4N5C24H25 |
AB4C5D24E25 |
-74.17 |
9.91 |
-8.7 |
-0.76 |
0 |
|
|
133092 |
51474921 |
1 |
SO3N5H25C26 |
AB3C5D25E26 |
-7.44 |
5.99 |
-8.56 |
-0.92 |
0 |
|
|
133093 |
51474922 |
1 |
SO3N5H25C26 |
AB3C5D25E26 |
-8.53 |
5.98 |
-8.44 |
-0.88 |
0 |
|
|
133094 |
51474923 |
1 |
SO3N5C19H19 |
AB3C5D19E19 |
31.31 |
11.49 |
-9.24 |
-1.11 |
1 |
|
|
133095 |
51476795 |
1 |
O2N7C19H30 |
A2B7C19D30 |
-20.1 |
15.18 |
0.0 |
0.0 |
0 |
|
|
133096 |
51476828 |
1 |
SN3O6C20H21 |
AB3C6D20E21 |
-183.52 |
2.96 |
-8.76 |
-1.14 |
1 |
|
|
133097 |
51477242 |
1 |
NO2C13H28 |
AB2C13D28 |
-111.82 |
3.15 |
0.0 |
0.0 |
0 |
|
|
133098 |
51477392 |
1 |
N3O4C22H27 |
A3B4C22D27 |
-167.21 |
2.73 |
-8.75 |
-0.01 |
0 |
|
|
133099 |
51477393 |
1 |
NOSC18H21 |
ABCD18E21 |
-16.61 |
3.96 |
-8.97 |
-0.21 |
0 |
|
|
133100 |
51477394 |
1 |
SN3O3C26H27 |
AB3C3D26E27 |
-63.3 |
6.1 |
-9.22 |
-0.34 |
0 |
|
|
133101 |
51477395 |
1 |
SN3O3C26H27 |
AB3C3D26E27 |
-60.5 |
2.49 |
-9.22 |
-0.37 |
0 |
|
|
133102 |
51477396 |
1 |
SN3O3C26H27 |
AB3C3D26E27 |
-61.49 |
6.75 |
-9.08 |
-0.35 |
0 |
|
|
133103 |
51477397 |
1 |
SN3O3C26H27 |
AB3C3D26E27 |
-59.78 |
1.72 |
-9.09 |
-0.28 |
0 |
|
|
133104 |
51477398 |
1 |
NOSC18H21 |
ABCD18E21 |
-19.15 |
2.43 |
-8.85 |
-0.08 |
0 |
|
|
133105 |
51477652 |
1 |
ClFSN2O4H18C19 |
ABCD2E4F18G19 |
-186.48 |
6.29 |
-9.01 |
-0.93 |
0 |
|
|
133106 |
51477700 |
1 |
O4N5C27H33 |
A4B5C27D33 |
-133.78 |
6.9 |
-9.0 |
-0.86 |
0 |
|
|
133107 |
51477773 |
1 |
O2S2N3C19H25 |
A2B2C3D19E25 |
-48.22 |
5.68 |
-8.84 |
-1.04 |
0 |
|
|
133108 |
51477774 |
1 |
S2O3N4C14H16 |
A2B3C4D14E16 |
-77.89 |
3.12 |
-9.11 |
-1.27 |
0 |
|
|
133109 |
51477859 |
1 |
SF2N2O2C16H18 |
AB2C2D2E16F18 |
-120.64 |
5.14 |
-9.06 |
-0.89 |
1 |
|
|
133110 |
51477860 |
1 |
SF2N2O2C16H19 |
AB2C2D2E16F19 |
-112.48 |
3.3 |
0.0 |
0.0 |
0 |