List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
295100 |
117517318 |
1 |
BrFO4C14H16 |
ABC4D14E16 |
-194.57 |
4.46 |
-9.41 |
-0.88 |
0 |
|
|
295101 |
117517358 |
1 |
BrO5C14H19 |
AB5C14D19 |
-201.49 |
4.68 |
-8.65 |
-0.28 |
0 |
|
|
295102 |
117517362 |
1 |
BrO5C14H19 |
AB5C14D19 |
-192.32 |
3.66 |
-9.06 |
-0.43 |
0 |
|
|
295103 |
117517384 |
1 |
BrFN2O2C14H20 |
ABC2D2E14F20 |
-95.17 |
3.1 |
-8.52 |
-0.21 |
0 |
|
|
295104 |
117517476 |
1 |
BrN3O3H10C14 |
AB3C3D10E14 |
-0.64 |
0.87 |
-9.41 |
-1.86 |
0 |
|
|
295105 |
117517537 |
1 |
BrNOC18H22 |
ABCD18E22 |
-18.35 |
4.52 |
-8.72 |
-0.65 |
0 |
|
|
295106 |
117517540 |
1 |
SN2O4C17H20 |
AB2C4D17E20 |
-103.68 |
6.63 |
-8.88 |
-0.79 |
0 |
|
|
295107 |
117517553 |
1 |
BrClN3O3C11H11 |
ABC3D3E11F11 |
-18.49 |
3.09 |
-9.24 |
-0.92 |
0 |
|
|
295108 |
117517567 |
1 |
ClS2O4C14H17 |
AB2C4D14E17 |
-158.87 |
6.6 |
-8.72 |
-1.11 |
0 |
|
|
295109 |
117517574 |
1 |
BrFO5C13H14 |
ABC5D13E14 |
-230.46 |
5.31 |
-9.28 |
-0.84 |
0 |
|
|
295110 |
117517596 |
1 |
BrSO5C12H13 |
ABC5D12E13 |
-161.71 |
5.69 |
-10.32 |
-1.44 |
0 |
|
|
295111 |
117517630 |
1 |
BrON2C17H21 |
ABC2D17E21 |
-22.62 |
5.17 |
-8.78 |
-0.3 |
0 |
|
|
295112 |
117517652 |
1 |
FNS2O4C14H20 |
ABC2D4E14F20 |
-197.76 |
10.52 |
-9.02 |
-1.11 |
0 |
|
|
295113 |
117517656 |
1 |
BrClSO3H10C12 |
ABCD3E10F12 |
-86.27 |
5.4 |
-9.01 |
-1.26 |
0 |
|
|
295114 |
117517687 |
1 |
BrNO3C16H16 |
ABC3D16E16 |
-76.02 |
4.69 |
-9.62 |
-0.75 |
0 |
|
|
295115 |
117517798 |
1 |
BrN2O4H11C14 |
AB2C4D11E14 |
-68.99 |
8.15 |
-9.17 |
-0.96 |
0 |
|
|
295116 |
117517813 |
1 |
BrN2O3C15H15 |
AB2C3D15E15 |
-59.18 |
6.93 |
-8.65 |
-1.83 |
0 |
|
|
295117 |
117517921 |
1 |
BrNO4H14C15 |
ABC4D14E15 |
-104.33 |
4.12 |
-9.35 |
-1.11 |
0 |
|
|
295118 |
117517957 |
1 |
BrNOF3C14H17 |
ABCD3E14F17 |
-178.7 |
2.23 |
-9.23 |
-0.89 |
0 |
|
|
295119 |
117517959 |
1 |
BrNOF3C14H17 |
ABCD3E14F17 |
-188.77 |
2.26 |
-9.26 |
-0.76 |
0 |
|
|
295120 |
117517991 |
1 |
BrNO3C16H18 |
ABC3D16E18 |
-51.58 |
4.7 |
-8.73 |
-0.4 |
0 |
|
|
295121 |
117517992 |
1 |
BrNO3C16H18 |
ABC3D16E18 |
-52.12 |
3.89 |
-8.74 |
-0.4 |
0 |
|
|
295122 |
117517994 |
1 |
BrNO3C16H18 |
ABC3D16E18 |
-74.06 |
7.21 |
-8.64 |
-0.28 |
0 |
|
|
295123 |
117517995 |
1 |
BrNO3C16H18 |
ABC3D16E18 |
-89.0 |
6.13 |
-8.83 |
-0.36 |
0 |
|
|
295124 |
117518100 |
1 |
BrSN3C15H18 |
ABC3D15E18 |
54.58 |
3.82 |
-8.52 |
-0.23 |
0 |
|
|
295125 |
117518168 |
1 |
ClO4C19H25 |
AB4C19D25 |
-180.7 |
4.25 |
-8.76 |
-0.39 |
0 |
|
|
295126 |
117518208 |
1 |
BrN2O4H13C14 |
AB2C4D13E14 |
-97.08 |
8.54 |
-9.2 |
-0.88 |
0 |
|
|
295127 |
117518241 |
1 |
BrON2F3C13H16 |
ABC2D3E13F16 |
-169.67 |
3.74 |
-8.95 |
-0.94 |
0 |
|
|
295128 |
117518245 |
1 |
BrS2O5H9C10 |
AB2C5D9E10 |
-151.67 |
4.04 |
-9.07 |
-2.22 |
0 |
|
|
295129 |
117518249 |
1 |
BrO4C16H17 |
AB4C16D17 |
-134.11 |
4.89 |
-8.67 |
-0.59 |
0 |
|
|
295130 |
117518253 |
1 |
BrO4C16H17 |
AB4C16D17 |
-112.35 |
3.72 |
-9.24 |
-0.62 |
0 |
|
|
295131 |
117518259 |
1 |
BrO4C16H17 |
AB4C16D17 |
-135.98 |
6.78 |
-9.23 |
-0.73 |
0 |
|
|
295132 |
117518271 |
1 |
BrN2O3C15H17 |
AB2C3D15E17 |
-56.32 |
4.4 |
-8.61 |
-1.83 |
0 |
|
|
295133 |
117518274 |
1 |
BrN2O3C15H17 |
AB2C3D15E17 |
-71.0 |
7.84 |
-9.64 |
-0.86 |
0 |
|
|
295134 |
117518284 |
1 |
BrN2O3C15H17 |
AB2C3D15E17 |
-42.11 |
5.05 |
-9.02 |
-0.31 |
0 |
|
|
295135 |
117518285 |
1 |
BrN2O3C15H17 |
AB2C3D15E17 |
-52.64 |
5.46 |
-8.57 |
-0.55 |
0 |
|
|
295136 |
117518295 |
1 |
BrN2O3C15H17 |
AB2C3D15E17 |
-47.91 |
3.75 |
-8.34 |
-0.34 |
0 |
|
|
295137 |
117518311 |
1 |
BrO3C17H21 |
AB3C17D21 |
-105.45 |
2.61 |
-9.25 |
-0.57 |
0 |
|
|
295138 |
117518313 |
1 |
BrO3C17H21 |
AB3C17D21 |
-108.06 |
6.0 |
-9.31 |
-0.63 |
0 |
|
|
295139 |
117518316 |
1 |
BrO3C17H21 |
AB3C17D21 |
-100.4 |
5.36 |
-9.74 |
-0.62 |
0 |
|
|
295140 |
117518355 |
1 |
BrN2O2C16H21 |
AB2C2D16E21 |
-40.89 |
1.4 |
-8.45 |
-0.13 |
0 |
|
|
295141 |
117518434 |
1 |
BrNO5H12C14 |
ABC5D12E14 |
-112.62 |
8.39 |
-9.37 |
-1.35 |
0 |
|
|
295142 |
117518457 |
1 |
BrNO4C15H16 |
ABC4D15E16 |
-91.24 |
2.77 |
-9.15 |
-1.46 |
0 |
|
|
295143 |
117518537 |
1 |
BrO2N3C15H20 |
AB2C3D15E20 |
-18.89 |
3.66 |
-9.01 |
-0.16 |
0 |
|
|
295144 |
117518538 |
1 |
BrO2N3C15H20 |
AB2C3D15E20 |
-21.1 |
3.11 |
-8.53 |
-0.29 |
0 |
|
|
295145 |
117518599 |
1 |
BrNO2C17H24 |
ABC2D17E24 |
-79.44 |
5.2 |
-8.19 |
-0.1 |
0 |
|
|
295146 |
117518609 |
1 |
BrNO2C17H24 |
ABC2D17E24 |
-70.87 |
2.95 |
-8.35 |
0.0 |
0 |
|
|
295147 |
117518621 |
1 |
BrNO2C17H24 |
ABC2D17E24 |
-76.0 |
6.09 |
-8.39 |
-0.1 |
0 |
|
|
295148 |
117518691 |
1 |
BrNSC17H24 |
ABCD17E24 |
-4.91 |
2.78 |
-8.55 |
-0.16 |
0 |
|
|
295149 |
117518711 |
1 |
BrF3O4H10C12 |
AB3C4D10E12 |
-289.35 |
4.04 |
-9.82 |
-1.44 |
0 |
|
|
295150 |
117518718 |
1 |
BrN2O5H11C13 |
AB2C5D11E13 |
-110.05 |
4.43 |
-9.52 |
-1.32 |
0 |
|
|
295151 |
117518719 |
1 |
BrN2O5H11C13 |
AB2C5D11E13 |
-121.8 |
4.78 |
-9.4 |
-1.52 |
0 |
|
|
295152 |
117518770 |
1 |
BrN2O4C14H15 |
AB2C4D14E15 |
-100.4 |
11.64 |
-9.0 |
-0.79 |
0 |
|
|
295153 |
117518793 |
1 |
BrO4C16H19 |
AB4C16D19 |
-117.55 |
4.24 |
-8.8 |
-0.49 |
0 |
|
|
295154 |
117518847 |
1 |
BrO4C16H19 |
AB4C16D19 |
-134.05 |
3.8 |
-9.03 |
-0.57 |
0 |
|
|
295155 |
117518880 |
1 |
BrO3C17H23 |
AB3C17D23 |
-129.14 |
3.68 |
-9.31 |
-0.35 |
0 |
|
|
295156 |
117518881 |
1 |
BrO3C17H23 |
AB3C17D23 |
-144.64 |
3.88 |
-8.81 |
-0.21 |
0 |
|
|
295157 |
117518889 |
1 |
BrO3C17H23 |
AB3C17D23 |
-134.57 |
4.21 |
-9.23 |
-0.48 |
0 |
|
|
295158 |
117518908 |
1 |
BrN2O2C16H23 |
AB2C2D16E23 |
-29.89 |
2.92 |
-8.61 |
-0.2 |
0 |
|
|
295159 |
117518945 |
1 |
BrN2O2C16H23 |
AB2C2D16E23 |
-57.08 |
1.26 |
-8.76 |
-0.12 |
0 |
|
|
295160 |
117519045 |
1 |
BrNO4C15H18 |
ABC4D15E18 |
-121.58 |
4.1 |
-8.9 |
-0.13 |
0 |
|
|
295161 |
117519382 |
1 |
BrNO5C14H16 |
ABC5D14E16 |
-182.31 |
5.02 |
-9.0 |
-0.65 |
0 |
|
|
295162 |
117519387 |
1 |
BrSN3O3C12H12 |
ABC3D3E12F12 |
-23.98 |
4.35 |
-9.06 |
-1.48 |
0 |
|
|
295163 |
117519508 |
1 |
BrO5C15H19 |
AB5C15D19 |
-169.77 |
4.92 |
-8.57 |
-0.31 |
0 |
|
|
295164 |
117519533 |
1 |
BrO5C15H19 |
AB5C15D19 |
-199.24 |
2.37 |
-8.96 |
-0.49 |
0 |
|
|
295165 |
117519559 |
1 |
BrO4C16H23 |
AB4C16D23 |
-170.38 |
6.25 |
-8.8 |
-0.24 |
0 |
|
|
295166 |
117519599 |
1 |
BrNO5C14H18 |
ABC5D14E18 |
-175.93 |
7.89 |
-8.91 |
-0.68 |
0 |
|
|
295167 |
117519652 |
1 |
S2O6C15H20 |
A2B6C15D20 |
-245.08 |
4.76 |
-10.12 |
-0.98 |
0 |
|
|
295168 |
117519656 |
3 |
OC8H8 |
AB8C8 |
-35.5 |
1.34 |
-8.85 |
-0.01 |
0 |
|
|
295169 |
117519708 |
1 |
NO2C24H27 |
AB2C24D27 |
-11.0 |
1.7 |
-8.92 |
-0.15 |
0 |
|
|
295170 |
117520125 |
1 |
BrN2O2C17H23 |
AB2C2D17E23 |
-33.34 |
3.81 |
-8.62 |
0.02 |
0 |
|
|
295171 |
117520155 |
1 |
BrClSO3C13H16 |
ABCD3E13F16 |
-123.3 |
3.95 |
-9.43 |
-1.14 |
0 |
|
|
295172 |
117520227 |
1 |
BrNO3C17H22 |
ABC3D17E22 |
-104.71 |
6.11 |
-8.98 |
-0.42 |
0 |
|
|
295173 |
117520243 |
1 |
BrNO2C18H26 |
ABC2D18E26 |
-81.9 |
4.07 |
-8.5 |
-0.07 |
0 |
|
|
295174 |
117520266 |
1 |
BrNO2C18H26 |
ABC2D18E26 |
-79.36 |
4.23 |
-8.69 |
-0.08 |
0 |
|
|
295175 |
117520320 |
1 |
BrO4C17H21 |
AB4C17D21 |
-147.99 |
6.52 |
-9.06 |
-0.62 |
0 |
|
|
295176 |
117520364 |
1 |
BrO4C17H21 |
AB4C17D21 |
-114.32 |
1.65 |
-8.52 |
-0.18 |
0 |
|
|
295177 |
117520495 |
1 |
BrO5C16H19 |
AB5C16D19 |
-178.42 |
4.27 |
-8.82 |
-0.82 |
0 |
|
|
295178 |
117520573 |
1 |
BrSN3O3C13H14 |
ABC3D3E13F14 |
-40.79 |
8.38 |
-8.7 |
-0.4 |
0 |
|
|
295179 |
117520609 |
1 |
BrO5C16H21 |
AB5C16D21 |
-202.73 |
5.95 |
-9.19 |
-0.5 |
0 |
|
|
295180 |
117520611 |
1 |
BrO5C16H21 |
AB5C16D21 |
-201.44 |
1.86 |
-9.17 |
-0.62 |
0 |
|
|
295181 |
117520623 |
1 |
NO2C25H27 |
AB2C25D27 |
-13.72 |
2.51 |
-8.47 |
0.09 |
0 |
|
|
295182 |
117520631 |
1 |
NO2C25H27 |
AB2C25D27 |
-11.52 |
1.47 |
-8.37 |
0.16 |
0 |
|
|
295183 |
117520738 |
1 |
BrClSO4H10C13 |
ABCD4E10F13 |
-112.83 |
4.42 |
-8.85 |
-1.3 |
0 |
|
|
295184 |
117520786 |
1 |
BrS2O4C13H15 |
AB2C4D13E15 |
-130.58 |
4.69 |
-8.78 |
-1.24 |
0 |
|
|
295185 |
117520850 |
1 |
BrO3C19H25 |
AB3C19D25 |
-137.43 |
4.39 |
-9.18 |
-0.4 |
0 |
|
|
295186 |
117520902 |
1 |
BrN2O4C16H19 |
AB2C4D16E19 |
-104.78 |
8.33 |
-8.89 |
-0.64 |
0 |
|
|
295187 |
117520914 |
1 |
BrO4C18H23 |
AB4C18D23 |
-162.85 |
4.26 |
-8.8 |
-0.44 |
0 |
|
|
295188 |
117520950 |
1 |
BrClSO4C13H16 |
ABCD4E13F16 |
-153.79 |
6.46 |
-9.28 |
-1.15 |
0 |
|
|
295189 |
117520953 |
1 |
BrClSO4C13H16 |
ABCD4E13F16 |
-153.04 |
5.15 |
-8.74 |
-1.12 |
0 |
|
|
295190 |
117520960 |
1 |
BrNO2F4C14H14 |
ABC2D4E14F14 |
-271.04 |
1.14 |
-9.13 |
-1.01 |
0 |
|
|
295191 |
117520961 |
1 |
BrNO2F4C14H14 |
ABC2D4E14F14 |
-270.21 |
2.36 |
-9.12 |
-0.97 |
0 |
|
|
295192 |
117520962 |
1 |
BrNO4C17H22 |
ABC4D17E22 |
-156.42 |
7.25 |
-9.21 |
-0.53 |
0 |
|
|
295193 |
117520967 |
1 |
BrNO4C17H22 |
ABC4D17E22 |
-151.24 |
3.5 |
-8.68 |
-0.32 |
0 |
|
|
295194 |
117521020 |
1 |
BrNO4H14C18 |
ABC4D14E18 |
-45.82 |
4.58 |
-9.56 |
-1.44 |
0 |
|
|
295195 |
117521060 |
1 |
BrFN2O3H12C17 |
ABC2D3E12F17 |
-66.43 |
2.19 |
-9.46 |
-1.11 |
0 |
|
|
295196 |
117521128 |
1 |
NO5H19C24 |
AB5C19D24 |
-51.22 |
7.17 |
-8.8 |
-1.27 |
0 |
|
|
295197 |
117521170 |
1 |
ClN2C11H11 |
AB2C11D11 |
42.99 |
4.03 |
-9.63 |
-0.26 |
0 |
|
|
295198 |
117521196 |
1 |
ClN2C13H15 |
AB2C13D15 |
29.15 |
4.98 |
-9.47 |
-0.19 |
0 |
|
|
295199 |
117521202 |
1 |
ON2C13H16 |
AB2C13D16 |
1.92 |
3.9 |
-9.1 |
0.13 |
0 |