List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
157889 |
56458799 |
1 |
SO3N4C26H32 |
AB3C4D26E32 |
-108.47 |
4.55 |
-8.56 |
-0.29 |
0 |
|
|
157890 |
56458800 |
1 |
FSO2N4C25H25 |
ABC2D4E25F25 |
-41.82 |
6.69 |
-8.36 |
-0.98 |
0 |
|
|
157891 |
56458801 |
1 |
SO2N5C22H27 |
AB2C5D22E27 |
-38.84 |
2.49 |
-8.54 |
-0.29 |
0 |
|
|
157892 |
56458802 |
1 |
S2O3N4C22H22 |
A2B3C4D22E22 |
-70.9 |
4.54 |
-8.81 |
-1.56 |
0 |
|
|
157893 |
56458803 |
1 |
S2O3N4C21H22 |
A2B3C4D21E22 |
-37.06 |
3.74 |
-8.58 |
-1.18 |
0 |
|
|
157894 |
56458804 |
1 |
S2N3O3C25H27 |
A2B3C3D25E27 |
-70.65 |
6.07 |
-8.39 |
-0.94 |
0 |
|
|
157895 |
56458806 |
1 |
SO2N3C24H25 |
AB2C3D24E25 |
-39.65 |
3.3 |
-8.52 |
-1.14 |
0 |
|
|
157896 |
56458836 |
1 |
FSO3N6H17C18 |
ABC3D6E17F18 |
-24.74 |
5.62 |
-9.66 |
-1.58 |
0 |
|
|
157897 |
56458837 |
1 |
ClFO2N5H17C22 |
ABC2D5E17F22 |
13.42 |
10.93 |
-9.37 |
-1.02 |
0 |
|
|
157898 |
56458853 |
1 |
SN2O8C16H22 |
AB2C8D16E22 |
-303.79 |
0.78 |
-9.96 |
-1.14 |
0 |
|
|
157899 |
56458861 |
1 |
SN2O4C21H24 |
AB2C4D21E24 |
-119.17 |
3.75 |
-8.33 |
-0.48 |
0 |
|
|
157900 |
56458863 |
1 |
SN3O4H25C26 |
AB3C4D25E26 |
-90.53 |
9.42 |
-8.15 |
-0.66 |
0 |
|
|
157901 |
56458866 |
1 |
SN3O4H23C25 |
AB3C4D23E25 |
-83.09 |
7.32 |
-8.26 |
-0.68 |
0 |
|
|
157902 |
56458867 |
1 |
S2O3N6C19H24 |
A2B3C6D19E24 |
-24.88 |
4.29 |
-8.34 |
-1.0 |
0 |
|
|
157903 |
56458873 |
1 |
SN4O5H20C23 |
AB4C5D20E23 |
-49.88 |
2.12 |
-8.47 |
-1.78 |
0 |
|
|
157904 |
56458931 |
2 |
OSN3C10H13 |
ABC3D10E13 |
-6.09 |
5.1 |
-8.56 |
-1.12 |
0 |
|
|
157905 |
56458932 |
1 |
S2O3N4C20H24 |
A2B3C4D20E24 |
-93.91 |
5.29 |
-8.4 |
-0.62 |
0 |
|
|
157906 |
56458942 |
1 |
SN3O4H23C24 |
AB3C4D23E24 |
-91.19 |
6.59 |
-8.46 |
-1.08 |
0 |
|
|
157907 |
56458946 |
1 |
SN2O5C24H28 |
AB2C5D24E28 |
-144.34 |
2.45 |
-8.49 |
-0.85 |
0 |
|
|
157908 |
56458955 |
1 |
O2N5C25H31 |
A2B5C25D31 |
-50.07 |
5.73 |
-8.5 |
-0.37 |
0 |
|
|
157909 |
56458961 |
1 |
FSO3N7H16C19 |
ABC3D7E16F19 |
10.24 |
12.47 |
-9.28 |
-1.4 |
0 |
|
|
157910 |
56458963 |
1 |
F2O2N7H15C22 |
A2B2C7D15E22 |
38.39 |
6.08 |
-9.94 |
-1.9 |
0 |
|
|
157911 |
56458964 |
1 |
FS2O3N6C18H19 |
AB2C3D6E18F19 |
-44.35 |
11.6 |
-9.67 |
-1.33 |
0 |
|
|
157912 |
56458972 |
1 |
OF3N6H17C20 |
AB3C6D17E20 |
-66.9 |
5.81 |
-9.36 |
-1.42 |
0 |
|
|
157913 |
56458974 |
1 |
SF3O3N6C20H25 |
AB3C3D6E20F25 |
-203.33 |
9.26 |
-9.29 |
-0.64 |
0 |
|
|
157914 |
56458991 |
1 |
S2N3O5C20H23 |
A2B3C5D20E23 |
-143.58 |
7.3 |
-8.17 |
-0.95 |
0 |
|
|
157915 |
56458997 |
1 |
FSN3O4H18C21 |
ABC3D4E18F21 |
-81.44 |
2.8 |
-8.44 |
-1.2 |
0 |
|
|
157916 |
56458998 |
1 |
SN2F3O4C21H21 |
AB2C3D4E21F21 |
-270.89 |
4.05 |
-8.34 |
-0.83 |
0 |
|
|
157917 |
56459002 |
1 |
OF4N5H13C22 |
AB4C5D13E22 |
-110.48 |
2.04 |
-8.72 |
-1.27 |
0 |
|
|
157918 |
56459008 |
1 |
OF3N3H16C20 |
AB3C3D16E20 |
-95.0 |
1.41 |
-9.19 |
-1.06 |
0 |
|
|
157919 |
56459011 |
2 |
N2O2C13H18 |
A2B2C13D18 |
-153.25 |
2.06 |
-8.59 |
0.0 |
0 |
|
|
157920 |
56459012 |
4 |
NOC6H6 |
ABC6D6 |
-27.95 |
3.93 |
-8.9 |
-0.68 |
0 |
|
|
157921 |
56459016 |
1 |
N3O3H19C23 |
A3B3C19D23 |
-33.46 |
6.34 |
-8.89 |
-1.2 |
0 |
|
|
157922 |
56459020 |
2 |
ON2C12H16 |
AB2C12D16 |
-30.26 |
5.13 |
-8.48 |
-0.46 |
0 |
|
|
157923 |
56459044 |
1 |
O2S2N5H19C22 |
A2B2C5D19E22 |
58.69 |
7.21 |
-8.8 |
-0.95 |
0 |
|
|
157924 |
56459045 |
1 |
O2N7H19C20 |
A2B7C19D20 |
80.01 |
8.46 |
-9.65 |
-0.86 |
0 |
|
|
157925 |
56459046 |
3 |
ON2C8H8 |
AB2C8D8 |
-4.76 |
9.13 |
-9.6 |
-0.91 |
0 |
|
|
157926 |
56459047 |
1 |
SO3N5C20H21 |
AB3C5D20E21 |
-34.74 |
2.37 |
-8.78 |
-0.26 |
0 |
|
|
157927 |
56459048 |
1 |
OSN4C20H22 |
ABC4D20E22 |
33.47 |
5.4 |
-9.0 |
-0.49 |
0 |
|
|
157928 |
56459049 |
1 |
ON4C22H24 |
AB4C22D24 |
22.1 |
5.71 |
-8.98 |
0.13 |
0 |
|
|
157929 |
56459051 |
1 |
SO2N6C21H28 |
AB2C6D21E28 |
-18.83 |
2.12 |
-8.77 |
-0.68 |
0 |
|
|
157930 |
56459053 |
2 |
ClON3C9H9 |
ABC3D9E9 |
-21.81 |
5.0 |
-8.96 |
-0.78 |
0 |
|
|
157931 |
56459054 |
1 |
BrO3N5H14C17 |
AB3C5D14E17 |
-22.57 |
3.78 |
-8.9 |
-0.95 |
0 |
|
|
157932 |
56459055 |
1 |
SO3N5C20H21 |
AB3C5D20E21 |
-38.28 |
1.11 |
-8.51 |
-0.69 |
0 |
|
|
157933 |
56459056 |
1 |
SO3N6C18H20 |
AB3C6D18E20 |
-72.3 |
3.43 |
-8.7 |
-0.99 |
0 |
|
|
157934 |
56459058 |
1 |
O2S2N5H17C20 |
A2B2C5D17E20 |
31.44 |
3.64 |
-8.68 |
-0.93 |
0 |
|
|
157935 |
56459060 |
1 |
O3N4C26H30 |
A3B4C26D30 |
-82.19 |
6.02 |
-9.1 |
-0.05 |
0 |
|
|
157936 |
56459061 |
2 |
NOC12H13 |
ABC12D13 |
-27.66 |
2.92 |
-8.88 |
-0.46 |
0 |
|
|
157937 |
56459063 |
1 |
FO2N3C25H30 |
AB2C3D25E30 |
-98.29 |
2.04 |
-8.87 |
-0.26 |
0 |
|
|
157938 |
56459065 |
1 |
O4N5C27H31 |
A4B5C27D31 |
-95.07 |
1.22 |
-9.45 |
-1.23 |
0 |
|
|
157939 |
56459326 |
1 |
O3N4C23H26 |
A3B4C23D26 |
-63.02 |
7.5 |
-9.09 |
-0.57 |
0 |
|
|
157940 |
56459328 |
1 |
ClO2N3C25H30 |
AB2C3D25E30 |
-63.8 |
3.14 |
-8.62 |
-0.04 |
0 |
|
|
157941 |
56459330 |
1 |
ClO3N4C19H25 |
AB3C4D19E25 |
-127.45 |
5.66 |
-9.16 |
-0.16 |
0 |
|
|
157942 |
56459331 |
1 |
N2O3C24H30 |
A2B3C24D30 |
-112.78 |
5.32 |
-8.74 |
0.0 |
0 |
|
|
157943 |
56459332 |
1 |
O3N4C25H36 |
A3B4C25D36 |
-123.49 |
2.63 |
-9.06 |
0.14 |
0 |
|
|
157944 |
56459333 |
2 |
NOF3H9C10 |
ABC3D9E10 |
-357.1 |
6.09 |
-9.15 |
-1.21 |
0 |
|
|
157945 |
56459334 |
1 |
O2N5C26H31 |
A2B5C26D31 |
-15.56 |
9.0 |
-9.32 |
-1.04 |
0 |
|
|
157946 |
56459335 |
1 |
SN3O5H19C20 |
AB3C5D19E20 |
-161.42 |
7.77 |
-8.81 |
-0.94 |
0 |
|
|
157947 |
56459336 |
1 |
SN2O4C26H26 |
AB2C4D26E26 |
-99.62 |
4.97 |
-8.56 |
-0.85 |
0 |
|
|
157948 |
56459337 |
1 |
SN3O3C23H27 |
AB3C3D23E27 |
-106.75 |
7.13 |
-9.25 |
-0.28 |
0 |
|
|
157949 |
56459338 |
1 |
SN2O2C26H30 |
AB2C2D26E30 |
-20.77 |
5.2 |
-9.06 |
-0.35 |
0 |
|
|
157950 |
56459339 |
1 |
F2O2N4C21H22 |
A2B2C4D21E22 |
-106.13 |
4.13 |
-8.78 |
-0.99 |
0 |
|
|
157951 |
56459340 |
1 |
OF2N4C20H22 |
AB2C4D20E22 |
-85.77 |
4.56 |
-8.49 |
-0.97 |
0 |
|
|
157952 |
56459341 |
1 |
O4N5C24H33 |
A4B5C24D33 |
-112.57 |
3.69 |
-8.76 |
-0.79 |
0 |
|
|
157953 |
56459342 |
1 |
O3N4C23H34 |
A3B4C23D34 |
-109.22 |
2.59 |
-8.9 |
-0.14 |
0 |
|
|
157954 |
56459343 |
1 |
O2N3C26H29 |
A2B3C26D29 |
-42.12 |
3.49 |
-8.42 |
-0.01 |
0 |
|
|
157955 |
56459344 |
1 |
SF2O3N4C18H18 |
AB2C3D4E18F18 |
-151.48 |
5.72 |
-9.45 |
-0.9 |
0 |
|
|
157956 |
56459345 |
1 |
OF2N4H20C25 |
AB2C4D20E25 |
-31.0 |
5.0 |
-8.67 |
-0.95 |
0 |
|
|
157957 |
56459346 |
1 |
F3N3O4C19H22 |
A3B3C4D19E22 |
-329.57 |
10.82 |
-9.08 |
-0.62 |
0 |
|
|
157958 |
56459347 |
1 |
SN3O3C27H29 |
AB3C3D27E29 |
-55.69 |
3.74 |
-8.81 |
-0.62 |
0 |
|
|
157959 |
56459348 |
1 |
SN3O4C21H27 |
AB3C4D21E27 |
-121.34 |
6.51 |
-9.05 |
-0.55 |
0 |
|
|
157960 |
56459349 |
1 |
N4O4C21H28 |
A4B4C21D28 |
-180.29 |
4.23 |
-8.75 |
-0.14 |
0 |
|
|
157961 |
56459350 |
1 |
N3O3C24H31 |
A3B3C24D31 |
-97.49 |
5.85 |
-8.5 |
-0.39 |
0 |
|
|
157962 |
56459351 |
1 |
O3N5C25H31 |
A3B5C25D31 |
-69.62 |
2.29 |
-9.14 |
-0.62 |
0 |
|
|
157963 |
56459352 |
1 |
N3O5C18H31 |
A3B5C18D31 |
-252.49 |
2.99 |
-9.3 |
0.43 |
0 |
|
|
157964 |
56459353 |
1 |
N2F3O3C21H23 |
A2B3C3D21E23 |
-240.58 |
3.66 |
-8.65 |
-0.56 |
0 |
|
|
157965 |
56459354 |
1 |
N3O3C21H23 |
A3B3C21D23 |
-47.66 |
3.95 |
-8.85 |
-0.78 |
0 |
|
|
157966 |
56459355 |
1 |
N2O3C24H30 |
A2B3C24D30 |
-103.98 |
5.27 |
-8.76 |
0.0 |
0 |
|
|
157967 |
56459356 |
1 |
N3O4C22H25 |
A3B4C22D25 |
-90.21 |
3.25 |
-8.76 |
-0.64 |
0 |
|
|
157968 |
56459357 |
1 |
OF2N7H19C22 |
AB2C7D19E22 |
-1.6 |
8.87 |
-9.37 |
-1.02 |
0 |
|
|
157969 |
56459358 |
1 |
O2S2N5C19H25 |
A2B2C5D19E25 |
-26.91 |
5.1 |
-8.89 |
-0.41 |
0 |
|
|
157970 |
56459359 |
1 |
NOF3H20C21 |
ABC3D20E21 |
-129.87 |
4.56 |
-9.13 |
-0.46 |
0 |
|
|
157971 |
56459360 |
3 |
ON2C8H10 |
AB2C8D10 |
-37.87 |
1.0 |
-8.74 |
-0.71 |
0 |
|
|
157972 |
56459361 |
1 |
BrS2O3N4H15C16 |
AB2C3D4E15F16 |
-8.22 |
1.45 |
-9.38 |
-1.5 |
0 |
|
|
157973 |
56459362 |
1 |
OSN3C21H23 |
ABC3D21E23 |
27.95 |
3.94 |
-8.05 |
-0.56 |
0 |
|
|
157974 |
56459363 |
1 |
BrSN3O3C20H26 |
ABC3D3E20F26 |
-102.37 |
1.96 |
-9.23 |
-0.7 |
0 |
|
|
157975 |
56459364 |
1 |
N3O4C25H31 |
A3B4C25D31 |
-148.0 |
2.39 |
-8.82 |
-0.38 |
0 |
|
|
157976 |
56459365 |
2 |
FNO2C13H16 |
ABC2D13E16 |
-250.96 |
8.28 |
-8.79 |
-0.06 |
0 |
|
|
157977 |
56459366 |
1 |
F2N2O4C23H28 |
A2B2C4D23E28 |
-225.98 |
5.45 |
-8.95 |
-0.35 |
0 |
|
|
157978 |
56459367 |
1 |
BrNOSF3H11C15 |
ABCDE3F11G15 |
-127.41 |
3.46 |
-9.71 |
-0.97 |
0 |
|
|
157979 |
56459368 |
1 |
NO2F3C20H20 |
AB2C3D20E20 |
-189.7 |
5.81 |
-9.44 |
-0.73 |
0 |
|
|
157980 |
56459369 |
1 |
N3O3F4H19C20 |
A3B3C4D19E20 |
-261.96 |
2.07 |
-9.08 |
-1.09 |
0 |
|
|
157981 |
56459370 |
1 |
FO2N6C25H27 |
AB2C6D25E27 |
-15.87 |
2.39 |
-8.92 |
-0.77 |
0 |
|
|
157982 |
56459371 |
1 |
O3N4H24C25 |
A3B4C24D25 |
-4.82 |
8.2 |
-8.97 |
-1.07 |
0 |
|
|
157983 |
56459372 |
2 |
NOC13H17 |
ABC13D17 |
-83.73 |
2.3 |
-9.28 |
0.15 |
0 |
|
|
157984 |
56459373 |
1 |
SO3N4C23H30 |
AB3C4D23E30 |
-84.4 |
3.8 |
-8.16 |
-0.26 |
0 |
|
|
157985 |
56459374 |
1 |
N4O5C25H28 |
A4B5C25D28 |
-130.64 |
2.61 |
-8.22 |
-0.71 |
0 |
|
|
157986 |
56459375 |
1 |
O2N3C25H39 |
A2B3C25D39 |
-112.25 |
2.15 |
-8.64 |
0.19 |
0 |
|
|
157987 |
56459376 |
2 |
NO2C10H15 |
AB2C10D15 |
-141.28 |
3.45 |
-8.99 |
0.3 |
0 |
|
|
157988 |
56459377 |
1 |
N3O3C25H29 |
A3B3C25D29 |
-90.66 |
4.08 |
-8.63 |
-0.34 |
0 |