List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
280100 |
103846867 |
1 |
ClSN3O4C10H12 |
ABC3D4E10F12 |
-47.81 |
4.57 |
-8.2 |
-2.3 |
0 |
|
|
280101 |
103846877 |
1 |
BrClNO2C14H17 |
ABCD2E14F17 |
-97.5 |
3.1 |
-9.78 |
-1.01 |
0 |
|
|
280102 |
103846881 |
1 |
ClN3O4C13H16 |
AB3C4D13E16 |
-82.15 |
2.87 |
-9.99 |
-2.22 |
0 |
|
|
280103 |
103846889 |
1 |
N2O2C19H38 |
A2B2C19D38 |
-169.85 |
3.49 |
-8.9 |
1.08 |
0 |
|
|
280104 |
103846890 |
1 |
N2O2C19H38 |
A2B2C19D38 |
-164.56 |
2.83 |
-9.03 |
1.14 |
0 |
|
|
280105 |
103846891 |
2 |
NOC9H18 |
ABC9D18 |
-162.74 |
2.75 |
-8.83 |
0.98 |
0 |
|
|
280106 |
103846910 |
1 |
FINO2C11H11 |
ABCD2E11F11 |
-78.4 |
5.03 |
-9.98 |
-1.56 |
0 |
|
|
280107 |
103846917 |
1 |
N2O2C17H26 |
A2B2C17D26 |
-76.67 |
1.59 |
-8.34 |
0.1 |
0 |
|
|
280108 |
103846931 |
1 |
NO3C12H21 |
AB3C12D21 |
-170.83 |
4.13 |
-9.94 |
0.5 |
0 |
|
|
280109 |
103846936 |
1 |
ClINO3H9C10 |
ABCD3E9F10 |
-108.04 |
5.59 |
-9.48 |
-1.64 |
0 |
|
|
280110 |
103846937 |
1 |
NO4C11H19 |
AB4C11D19 |
-203.17 |
3.47 |
-9.64 |
0.41 |
0 |
|
|
280111 |
103846938 |
1 |
ClFNO3H9C10 |
ABCD3E9F10 |
-173.92 |
6.06 |
-9.9 |
-0.97 |
0 |
|
|
280112 |
103846947 |
1 |
ClOH7C9 |
ABC7D9 |
2.14 |
4.22 |
-9.7 |
-0.98 |
0 |
|
|
280113 |
103846948 |
1 |
NOC11H11 |
ABC11D11 |
16.65 |
5.93 |
-8.52 |
-0.35 |
0 |
|
|
280114 |
103846950 |
1 |
NSO3H7C8 |
ABC3D7E8 |
1.44 |
5.19 |
-10.1 |
-1.83 |
0 |
|
|
280115 |
103846959 |
1 |
OC12H16 |
AB12C16 |
-38.06 |
4.47 |
-9.58 |
-0.45 |
0 |
|
|
280116 |
103846989 |
1 |
BrN2O2C14H19 |
AB2C2D14E19 |
-72.22 |
3.89 |
-8.89 |
-0.75 |
0 |
|
|
280117 |
103847001 |
1 |
BrON2C14H15 |
ABC2D14E15 |
-0.23 |
4.29 |
-8.42 |
-0.68 |
0 |
|
|
280118 |
103847020 |
1 |
BrON2C16H19 |
ABC2D16E19 |
18.55 |
2.72 |
-8.54 |
-0.79 |
0 |
|
|
280119 |
103847025 |
1 |
N2O2C13H20 |
A2B2C13D20 |
-47.74 |
2.98 |
-8.84 |
0.28 |
0 |
|
|
280120 |
103847030 |
1 |
N2O2C13H22 |
A2B2C13D22 |
-79.87 |
4.32 |
-8.69 |
0.4 |
0 |
|
|
280121 |
103847036 |
1 |
N2O3C12H20 |
A2B3C12D20 |
-104.02 |
2.94 |
-8.81 |
0.3 |
0 |
|
|
280122 |
103847038 |
1 |
BrON3C15H16 |
ABC3D15E16 |
4.48 |
2.4 |
-8.66 |
-0.92 |
0 |
|
|
280123 |
103847039 |
1 |
BrSN3H14C15 |
ABC3D14E15 |
70.17 |
4.65 |
-8.42 |
-0.66 |
0 |
|
|
280124 |
103847041 |
1 |
SF3N4C11H11 |
AB3C4D11E11 |
-89.67 |
8.5 |
-9.3 |
-0.81 |
0 |
|
|
280125 |
103847042 |
1 |
SO2N3C14H17 |
AB2C3D14E17 |
-45.52 |
3.96 |
-8.9 |
-0.57 |
0 |
|
|
280126 |
103847050 |
1 |
SO2N4C10H14 |
AB2C4D10E14 |
-22.4 |
2.42 |
-9.05 |
-0.9 |
0 |
|
|
280127 |
103847061 |
1 |
BrOSN4C11H13 |
ABCD4E11F13 |
22.74 |
1.06 |
-8.94 |
-0.65 |
0 |
|
|
280128 |
103847075 |
1 |
ON5C13H21 |
AB5C13D21 |
-12.78 |
2.8 |
-8.64 |
0.46 |
0 |
|
|
280129 |
103847076 |
1 |
BrON2H11C12 |
ABC2D11E12 |
23.15 |
1.7 |
-8.92 |
-1.02 |
0 |
|
|
280130 |
103847086 |
2 |
NOC5H7 |
ABC5D7 |
-63.61 |
2.16 |
-8.84 |
0.19 |
0 |
|
|
280131 |
103847095 |
1 |
ON6C11H16 |
AB6C11D16 |
27.91 |
2.27 |
-9.08 |
0.21 |
0 |
|
|
280132 |
103847103 |
1 |
O2N5C13H13 |
A2B5C13D13 |
92.05 |
9.42 |
-9.48 |
-1.68 |
0 |
|
|
280133 |
103847108 |
1 |
ON4C11H18 |
AB4C11D18 |
-18.75 |
2.29 |
-8.93 |
0.04 |
0 |
|
|
280134 |
103847109 |
1 |
ON3C13H17 |
AB3C13D17 |
15.78 |
1.75 |
-8.84 |
-0.82 |
0 |
|
|
280135 |
103847110 |
1 |
N3O3C14H17 |
A3B3C14D17 |
0.74 |
8.59 |
-9.12 |
-1.57 |
0 |
|
|
280136 |
103847113 |
1 |
BrON4H11C13 |
ABC4D11E13 |
73.35 |
5.06 |
-8.65 |
-0.85 |
0 |
|
|
280137 |
103847124 |
1 |
FN3O4C14H20 |
AB3C4D14E20 |
-154.97 |
11.54 |
-9.32 |
-0.96 |
0 |
|
|
280138 |
103847125 |
1 |
BrOSN2C14H17 |
ABCD2E14F17 |
-9.4 |
2.75 |
-8.45 |
-0.7 |
0 |
|
|
280139 |
103847154 |
1 |
OC7H8 |
AB7C8 |
15.18 |
2.71 |
-10.26 |
-0.4 |
0 |
|
|
280140 |
103847167 |
1 |
O2C9H10 |
A2B9C10 |
-40.44 |
2.46 |
-9.36 |
-0.2 |
0 |
|
|
280141 |
103847170 |
1 |
OSC9H10 |
ABC9D10 |
-8.33 |
2.51 |
-9.2 |
-0.34 |
0 |
|
|
280142 |
103847173 |
1 |
OC10H18 |
AB10C18 |
-63.24 |
3.42 |
-9.92 |
0.02 |
0 |
|
|
280143 |
103847174 |
2 |
OC5H10 |
AB5C10 |
-112.5 |
3.62 |
-9.34 |
0.49 |
0 |
|
|
280144 |
103847191 |
1 |
OC11H16 |
AB11C16 |
-33.76 |
3.35 |
-9.66 |
-0.11 |
0 |
|
|
280145 |
103847200 |
1 |
NO4H23C26 |
AB4C23D26 |
-105.23 |
2.61 |
-8.84 |
-0.39 |
0 |
|
|
280146 |
103847220 |
1 |
BrNO4C18H18 |
ABC4D18E18 |
-133.96 |
3.45 |
-9.18 |
-0.46 |
0 |
|
|
280147 |
103847226 |
1 |
BrNO4C20H22 |
ABC4D20E22 |
-135.1 |
5.28 |
-9.67 |
-0.51 |
0 |
|
|
280148 |
103847227 |
1 |
BrNO4H26C27 |
ABC4D26E27 |
-111.68 |
6.12 |
-9.04 |
-0.6 |
0 |
|
|
280149 |
103847230 |
1 |
BrNO4H24C27 |
ABC4D24E27 |
-78.85 |
5.15 |
-9.02 |
-0.58 |
0 |
|
|
280150 |
103847234 |
1 |
BrNO4C18H18 |
ABC4D18E18 |
-136.75 |
3.9 |
-9.52 |
-0.5 |
0 |
|
|
280151 |
103847235 |
1 |
BrNO4C18H18 |
ABC4D18E18 |
-140.18 |
8.71 |
-9.82 |
-0.56 |
0 |
|
|
280152 |
103847242 |
1 |
OC10H12 |
AB10C12 |
2.77 |
4.29 |
-9.98 |
-0.02 |
0 |
|
|
280153 |
103847244 |
1 |
BrNO4C20H22 |
ABC4D20E22 |
-151.42 |
3.64 |
-9.31 |
-0.12 |
0 |
|
|
280154 |
103847247 |
1 |
ON3C7H7 |
AB3C7D7 |
25.56 |
6.7 |
-10.02 |
-0.48 |
0 |
|
|
280155 |
103847254 |
1 |
O2N3C9H17 |
A2B3C9D17 |
-59.36 |
4.78 |
-9.35 |
0.88 |
0 |
|
|
280156 |
103847255 |
1 |
O2N3C7H15 |
A2B3C7D15 |
-80.19 |
2.76 |
-9.2 |
1.2 |
0 |
|
|
280157 |
103847258 |
1 |
N2O3C10H20 |
A2B3C10D20 |
-161.05 |
3.09 |
-9.78 |
1.1 |
0 |
|
|
280158 |
103847259 |
1 |
N2O3C9H16 |
A2B3C9D16 |
-125.79 |
2.55 |
-9.7 |
0.91 |
0 |
|
|
280159 |
103847261 |
2 |
NO2C7H9 |
AB2C7D9 |
-158.11 |
1.8 |
-8.87 |
-0.58 |
0 |
|
|
280160 |
103847267 |
1 |
N2O3C8H16 |
A2B3C8D16 |
-148.41 |
5.25 |
-9.62 |
0.85 |
0 |
|
|
280161 |
103847270 |
1 |
O4C11H14 |
A4B11C14 |
-152.53 |
3.13 |
-9.22 |
-0.14 |
0 |
|
|
280162 |
103847281 |
1 |
NO2C10H13 |
AB2C10D13 |
-52.16 |
2.42 |
-8.79 |
0.08 |
0 |
|
|
280163 |
103847302 |
1 |
FO2S2N3H8C9 |
AB2C2D3E8F9 |
-53.0 |
3.14 |
-10.08 |
-1.47 |
0 |
|
|
280164 |
103847304 |
1 |
BrO2S2N3C10H10 |
AB2C2D3E10F10 |
-20.46 |
5.51 |
-9.07 |
-1.25 |
0 |
|
|
280165 |
103847307 |
1 |
O2S2N5C9H9 |
A2B2C5D9E9 |
28.24 |
8.89 |
-9.21 |
-1.32 |
0 |
|
|
280166 |
103847311 |
1 |
NSO2C15H19 |
ABC2D15E19 |
-44.81 |
4.02 |
-9.08 |
-0.55 |
0 |
|
|
280167 |
103847315 |
1 |
NSO3C13H23 |
ABC3D13E23 |
-158.26 |
3.99 |
-8.81 |
0.21 |
0 |
|
|
280168 |
103847317 |
1 |
SN2O2C15H18 |
AB2C2D15E18 |
-49.32 |
5.15 |
-9.33 |
-0.72 |
0 |
|
|
280169 |
103847321 |
1 |
SO2C10H20 |
AB2C10D20 |
-118.68 |
3.56 |
-8.8 |
0.5 |
0 |
|
|
280170 |
103847323 |
1 |
NSO2C8H15 |
ABC2D8E15 |
-105.62 |
3.78 |
-8.94 |
0.35 |
0 |
|
|
280171 |
103847327 |
1 |
NSO2C9H17 |
ABC2D9E17 |
-114.38 |
2.63 |
-9.16 |
-0.06 |
0 |
|
|
280172 |
103847328 |
1 |
NSO2C14H17 |
ABC2D14E17 |
-38.02 |
4.96 |
-9.2 |
-0.67 |
0 |
|
|
280173 |
103847335 |
1 |
SO3C8H14 |
AB3C8D14 |
-143.28 |
2.22 |
-9.2 |
-0.23 |
0 |
|
|
280174 |
103847340 |
1 |
BrSO2C13H17 |
ABC2D13E17 |
-70.25 |
3.77 |
-8.77 |
-0.34 |
0 |
|
|
280175 |
103847351 |
1 |
SO3C15H20 |
AB3C15D20 |
-115.22 |
3.6 |
-8.88 |
-0.46 |
0 |
|
|
280176 |
103847352 |
1 |
ClNOSC11H14 |
ABCDE11F14 |
-29.44 |
3.8 |
-9.13 |
-0.77 |
0 |
|
|
280177 |
103847353 |
1 |
ClOSN2C11H17 |
ABCD2E11F17 |
-29.54 |
2.84 |
-8.72 |
0.1 |
0 |
|
|
280178 |
103847359 |
1 |
SO3C10H18 |
AB3C10D18 |
-153.0 |
3.45 |
-8.88 |
0.38 |
0 |
|
|
280179 |
103847367 |
1 |
BrNOSC11H14 |
ABCDE11F14 |
-19.6 |
2.5 |
-9.05 |
-0.72 |
0 |
|
|
280180 |
103847374 |
1 |
SO3C16H22 |
AB3C16D22 |
-123.47 |
4.82 |
-8.53 |
-0.47 |
0 |
|
|
280181 |
103847375 |
1 |
SO2C7H14 |
AB2C7D14 |
-105.0 |
1.66 |
-9.07 |
0.26 |
0 |
|
|
280182 |
103847380 |
1 |
BrFOSC12H14 |
ABCDE12F14 |
-76.81 |
2.79 |
-9.0 |
-0.71 |
0 |
|
|
280183 |
103847381 |
1 |
NSO2C12H17 |
ABC2D12E17 |
-65.57 |
7.66 |
-8.52 |
0.12 |
0 |
|
|
280184 |
103847387 |
1 |
BrSO2C13H17 |
ABC2D13E17 |
-68.8 |
1.74 |
-9.13 |
-0.25 |
0 |
|
|
280185 |
103847388 |
1 |
FSO3C14H17 |
ABC3D14E17 |
-163.21 |
3.67 |
-9.14 |
-0.98 |
0 |
|
|
280186 |
103847395 |
1 |
BrSO2C13H17 |
ABC2D13E17 |
-68.82 |
3.94 |
-8.8 |
-0.2 |
0 |
|
|
280187 |
103847397 |
1 |
BrOSC12H15 |
ABCD12E15 |
-30.86 |
2.31 |
-8.98 |
-0.42 |
0 |
|
|
280188 |
103847426 |
1 |
S3N4O4C10H12 |
A3B4C4D10E12 |
-98.11 |
2.96 |
-8.85 |
-1.4 |
0 |
|
|
280189 |
103847440 |
1 |
ClN2S2O4H9C11 |
AB2C2D4E9F11 |
-116.23 |
7.87 |
-9.64 |
-1.77 |
0 |
|
|
280190 |
103847450 |
2 |
NSO2C6H6 |
ABC2D6E6 |
-110.29 |
8.42 |
-9.9 |
-1.49 |
0 |
|
|
280191 |
103847460 |
1 |
N2S2O5C12H12 |
A2B2C5D12E12 |
-143.61 |
5.92 |
-8.96 |
-1.52 |
0 |
|
|
280192 |
103847470 |
1 |
BrClN2O2S2H8C10 |
ABC2D2E2F8G10 |
-21.65 |
3.85 |
-9.59 |
-1.44 |
0 |
|
|
280193 |
103847476 |
1 |
BrClN2O2S2H8C10 |
ABC2D2E2F8G10 |
-32.42 |
5.21 |
-9.05 |
-1.51 |
0 |
|
|
280194 |
103847482 |
1 |
BrN2S2O4H9C11 |
AB2C2D4E9F11 |
-97.37 |
1.17 |
-10.05 |
-1.59 |
0 |
|
|
280195 |
103847491 |
1 |
FSN2O4C11H15 |
ABC2D4E11F15 |
-197.99 |
9.45 |
-9.62 |
-0.89 |
0 |
|
|
280196 |
103847496 |
1 |
FNSO4C11H14 |
ABCD4E11F14 |
-208.71 |
8.59 |
-9.74 |
-0.81 |
0 |
|
|
280197 |
103847498 |
1 |
FSN3O4H8C10 |
ABC3D4E8F10 |
-149.15 |
3.34 |
-9.85 |
-0.99 |
0 |
|
|
280198 |
103847515 |
1 |
FNSO4C12H16 |
ABCD4E12F16 |
-212.48 |
8.64 |
-9.75 |
-0.81 |
0 |
|
|
280199 |
103847517 |
1 |
NSF2O4H9C13 |
ABC2D4E9F13 |
-206.31 |
8.39 |
-9.67 |
-1.45 |
0 |