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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
78152 |
49681732 |
1 |
SF2O2N3C19H21 |
AB2C2D3E19F21 |
-122.57 |
0.59 |
-8.81 |
-0.85 |
0 |
|
|
78153 |
49681733 |
1 |
SF2O2N3C19H21 |
AB2C2D3E19F21 |
-121.81 |
1.57 |
-8.96 |
-0.91 |
0 |
|
|
78154 |
49681735 |
1 |
SN3O3C21H27 |
AB3C3D21E27 |
-83.3 |
2.43 |
-8.51 |
-0.43 |
0 |
|
|
78155 |
49681736 |
1 |
SN3O3C21H27 |
AB3C3D21E27 |
-82.38 |
2.89 |
-8.51 |
-0.48 |
0 |
|
|
78156 |
49681737 |
1 |
SN3O3C21H27 |
AB3C3D21E27 |
-78.99 |
2.5 |
-8.74 |
-0.08 |
0 |
|
|
78157 |
49681738 |
1 |
SN3O3C21H27 |
AB3C3D21E27 |
-76.37 |
1.2 |
-8.68 |
-0.2 |
0 |
|
|
78158 |
49681744 |
1 |
ClSO2N3C20H24 |
ABC2D3E20F24 |
-44.72 |
3.24 |
-8.72 |
-0.52 |
0 |
|
|
78159 |
49681745 |
1 |
ClSO2N3C20H24 |
ABC2D3E20F24 |
-53.79 |
2.83 |
-8.81 |
-0.76 |
0 |
|
|
78160 |
49681746 |
1 |
ClSO2N3C20H24 |
ABC2D3E20F24 |
-54.71 |
1.93 |
-8.87 |
-0.73 |
0 |
|
|
78161 |
49681748 |
1 |
ClFSO2N3C19H21 |
ABCD2E3F19G21 |
-87.43 |
3.91 |
-8.84 |
-0.95 |
0 |
|
|
78162 |
49681749 |
1 |
SO3N4C21H26 |
AB3C4D21E26 |
-87.39 |
4.42 |
-8.79 |
-0.51 |
0 |
|
|
78163 |
49681750 |
1 |
SO3N4C21H26 |
AB3C4D21E26 |
-86.88 |
3.43 |
-8.57 |
-0.57 |
0 |
|
|
78164 |
49681751 |
1 |
SN3O4C21H25 |
AB3C4D21E25 |
-105.73 |
2.58 |
-8.56 |
-0.62 |
0 |
|
|
78165 |
49681752 |
1 |
SN3O4C21H25 |
AB3C4D21E25 |
-98.66 |
1.49 |
-8.86 |
-0.4 |
0 |
|
|
78166 |
49681753 |
1 |
SN4O4C20H24 |
AB4C4D20E24 |
-49.89 |
5.32 |
-8.87 |
-1.59 |
0 |
|
|
78167 |
49681754 |
1 |
SN4O4C20H24 |
AB4C4D20E24 |
-49.33 |
7.11 |
-9.03 |
-1.52 |
0 |
|
|
78168 |
49681755 |
1 |
SN4O4C20H24 |
AB4C4D20E24 |
-47.12 |
6.49 |
-8.81 |
-1.4 |
0 |
|
|
78169 |
49681758 |
1 |
SN3O4C21H27 |
AB3C4D21E27 |
-112.73 |
4.04 |
-8.69 |
-0.03 |
0 |
|
|
78170 |
49681759 |
1 |
SN3O4C21H27 |
AB3C4D21E27 |
-110.75 |
1.32 |
-8.24 |
-0.55 |
0 |
|
|
78171 |
49681760 |
1 |
FSN4O4C19H21 |
ABC4D4E19F21 |
-78.58 |
6.05 |
-8.93 |
-1.69 |
0 |
|
|
78172 |
49681761 |
1 |
ClSN3O3C20H24 |
ABC3D3E20F24 |
-82.6 |
3.95 |
-8.65 |
-0.66 |
0 |
|
|
78173 |
49681763 |
1 |
SO2F3N3C20H22 |
AB2C3D3E20F22 |
-195.7 |
5.17 |
-8.99 |
-1.09 |
0 |
|
|
78174 |
49681764 |
1 |
SO2F3N3C20H22 |
AB2C3D3E20F22 |
-192.4 |
3.62 |
-8.84 |
-1.07 |
0 |
|
|
78175 |
49681765 |
1 |
SF3N3O3C20H22 |
AB3C3D3E20F22 |
-235.62 |
4.27 |
-8.88 |
-1.02 |
0 |
|
|
78176 |
49681767 |
1 |
N3O3C17H27 |
A3B3C17D27 |
-130.3 |
1.35 |
-8.59 |
-0.04 |
0 |
|
|
78177 |
49681768 |
3 |
NOC6H9 |
ABC6D9 |
-101.89 |
1.06 |
-8.6 |
-0.13 |
0 |
|
|
78178 |
49681769 |
3 |
NOC6H9 |
ABC6D9 |
-98.93 |
1.86 |
-8.66 |
-0.07 |
0 |
|
|
78179 |
49681770 |
1 |
N3O3C18H29 |
A3B3C18D29 |
-135.17 |
1.4 |
-8.6 |
-0.06 |
0 |
|
|
78180 |
49681771 |
1 |
N3O3C18H29 |
A3B3C18D29 |
-134.08 |
1.27 |
-8.63 |
0.0 |
0 |
|
|
78181 |
49681772 |
1 |
N3O3C19H31 |
A3B3C19D31 |
-143.09 |
0.98 |
-8.6 |
0.1 |
0 |
|
|
78182 |
49681773 |
1 |
N3O3C19H31 |
A3B3C19D31 |
-136.68 |
1.2 |
-8.47 |
-0.06 |
0 |
|
|
78183 |
49681774 |
1 |
N3O4C18H29 |
A3B4C18D29 |
-162.69 |
1.18 |
-8.52 |
-0.11 |
0 |
|
|
78184 |
49681775 |
2 |
N2O2C9H12 |
A2B2C9D12 |
-83.54 |
2.84 |
-8.66 |
-0.64 |
0 |
|
|
78185 |
49681776 |
1 |
N3O3C20H31 |
A3B3C20D31 |
-134.71 |
1.32 |
-8.48 |
-0.05 |
0 |
|
|
78186 |
49681777 |
3 |
NOC7H9 |
ABC7D9 |
-91.56 |
1.12 |
-8.52 |
-0.56 |
0 |
|
|
78187 |
49681778 |
1 |
O3N4C20H26 |
A3B4C20D26 |
-79.32 |
3.29 |
-8.69 |
-0.8 |
0 |
|
|
78188 |
49681780 |
1 |
N4O4C19H26 |
A4B4C19D26 |
-93.08 |
3.7 |
-8.48 |
-0.57 |
0 |
|
|
78189 |
49681781 |
3 |
NOC7H11 |
ABC7D11 |
-140.53 |
1.76 |
-8.52 |
0.02 |
0 |
|
|
78190 |
49681782 |
1 |
N3O3C22H29 |
A3B3C22D29 |
-95.93 |
1.41 |
-8.63 |
-0.13 |
0 |
|
|
78191 |
49681783 |
1 |
N3O3C22H29 |
A3B3C22D29 |
-104.43 |
1.3 |
-8.56 |
-0.46 |
0 |
|
|
78192 |
49681784 |
1 |
N3O3C22H29 |
A3B3C22D29 |
-105.61 |
1.31 |
-8.64 |
-0.52 |
0 |
|
|
78193 |
49681785 |
1 |
N3O3C22H29 |
A3B3C22D29 |
-103.01 |
1.68 |
-8.62 |
-0.49 |
0 |
|
|
78194 |
49681786 |
1 |
FN3O3C21H26 |
AB3C3D21E26 |
-134.4 |
0.83 |
-8.62 |
-0.69 |
0 |
|
|
78195 |
49681787 |
1 |
FN3O3C21H26 |
AB3C3D21E26 |
-137.36 |
2.66 |
-8.55 |
-0.74 |
0 |
|
|
78196 |
49681788 |
1 |
FN3O3C21H26 |
AB3C3D21E26 |
-138.62 |
2.94 |
-8.66 |
-0.78 |
0 |
|
|
78197 |
49681789 |
1 |
SN3O3C20H27 |
AB3C3D20E27 |
-87.76 |
1.51 |
-8.43 |
-0.49 |
0 |
|
|
78198 |
49681790 |
1 |
N3O3C22H35 |
A3B3C22D35 |
-141.89 |
1.89 |
-8.52 |
-0.02 |
0 |
|
|
78199 |
49681792 |
1 |
N3O3C23H31 |
A3B3C23D31 |
-107.45 |
2.05 |
-8.6 |
-0.11 |
0 |
|
|
78200 |
49681793 |
1 |
N3O3C23H31 |
A3B3C23D31 |
-114.31 |
1.85 |
-8.64 |
-0.43 |
0 |
|
|
78201 |
49681794 |
1 |
N3O3C23H31 |
A3B3C23D31 |
-106.31 |
1.56 |
-8.64 |
-0.5 |
0 |
|
|
78202 |
49681796 |
1 |
N3O3C23H31 |
A3B3C23D31 |
-100.72 |
0.66 |
-8.52 |
-0.18 |
0 |
|
|
78203 |
49681797 |
1 |
N3O3C23H31 |
A3B3C23D31 |
-107.81 |
1.99 |
-8.53 |
-0.42 |
0 |
|
|
78204 |
49681798 |
1 |
N3O3C23H31 |
A3B3C23D31 |
-110.53 |
1.09 |
-8.64 |
-0.22 |
0 |
|
|
78205 |
49681799 |
1 |
N3O3C23H31 |
A3B3C23D31 |
-113.63 |
0.45 |
-8.64 |
-0.42 |
0 |
|
|
78206 |
49681800 |
1 |
N3O3C23H31 |
A3B3C23D31 |
-112.97 |
1.64 |
-8.61 |
-0.39 |
0 |
|
|
78207 |
49681801 |
1 |
N3O3C23H31 |
A3B3C23D31 |
-112.92 |
1.04 |
-8.6 |
-0.45 |
0 |
|
|
78208 |
49681803 |
1 |
N3O4C22H29 |
A3B4C22D29 |
-132.71 |
1.08 |
-8.65 |
-0.51 |
0 |
|
|
78209 |
49681804 |
1 |
N3O4C22H29 |
A3B4C22D29 |
-130.26 |
1.74 |
-8.51 |
-0.47 |
0 |
|
|
78210 |
49681807 |
1 |
N3O3C23H35 |
A3B3C23D35 |
-128.94 |
0.81 |
-8.61 |
-0.04 |
0 |
|
|
78211 |
49681808 |
1 |
ClN3O3C21H26 |
AB3C3D21E26 |
-99.28 |
2.91 |
-8.66 |
-0.78 |
0 |
|
|
78212 |
49681809 |
1 |
ClN3O3C21H26 |
AB3C3D21E26 |
-99.68 |
2.7 |
-8.71 |
-0.75 |
0 |
|
|
78213 |
49681811 |
1 |
F2N3O3C21H25 |
A2B3C3D21E25 |
-179.02 |
2.64 |
-8.68 |
-0.78 |
0 |
|
|
78214 |
49681813 |
1 |
F2N3O3C21H25 |
A2B3C3D21E25 |
-184.05 |
4.0 |
-8.77 |
-0.88 |
0 |
|
|
78215 |
49681814 |
3 |
NOC8H11 |
ABC8D11 |
-120.52 |
1.5 |
-8.56 |
-0.2 |
0 |
|
|
78216 |
49681815 |
3 |
NOC8H11 |
ABC8D11 |
-109.48 |
0.99 |
-8.42 |
-0.52 |
0 |
|
|
78217 |
49681816 |
1 |
N3O5C22H27 |
A3B5C22D27 |
-155.13 |
1.54 |
-8.63 |
-0.7 |
0 |
|
|
78218 |
49681817 |
1 |
N3O4C23H31 |
A3B4C23D31 |
-142.69 |
1.19 |
-8.49 |
-0.41 |
0 |
|
|
78219 |
49681820 |
1 |
N3O4C23H31 |
A3B4C23D31 |
-135.65 |
2.62 |
-8.52 |
-0.19 |
0 |
|
|
78220 |
49681822 |
1 |
N3O4C23H31 |
A3B4C23D31 |
-140.08 |
2.29 |
-8.61 |
-0.41 |
0 |
|
|
78221 |
49681823 |
1 |
N4O5C21H26 |
A4B5C21D26 |
-97.98 |
7.44 |
-8.66 |
-1.58 |
0 |
|
|
78222 |
49681824 |
1 |
N4O5C21H26 |
A4B5C21D26 |
-96.29 |
4.8 |
-8.49 |
-1.6 |
0 |
|
|
78223 |
49681829 |
1 |
ClN3O3C22H28 |
AB3C3D22E28 |
-104.17 |
2.25 |
-8.61 |
-0.4 |
0 |
|
|
78224 |
49681831 |
1 |
ClN3O3C22H28 |
AB3C3D22E28 |
-110.68 |
3.15 |
-8.65 |
-0.55 |
0 |
|
|
78225 |
49681832 |
1 |
ClFN3O3C21H25 |
ABC3D3E21F25 |
-146.8 |
3.47 |
-8.6 |
-0.94 |
0 |
|
|
78226 |
49681833 |
1 |
N4O4C23H30 |
A4B4C23D30 |
-144.67 |
4.06 |
-8.57 |
-0.62 |
0 |
|
|
78227 |
49684186 |
1 |
ClSN2O3C19H25 |
ABC2D3E19F25 |
-92.28 |
5.08 |
-8.69 |
-0.92 |
0 |
|
|
78228 |
49684187 |
1 |
ClSN2O3C19H25 |
ABC2D3E19F25 |
-93.66 |
5.53 |
-8.42 |
-0.9 |
0 |
|
|
78229 |
49684188 |
1 |
ClSN2O3C19H25 |
ABC2D3E19F25 |
-95.62 |
3.76 |
-8.65 |
-0.98 |
0 |
|
|
78230 |
49684190 |
1 |
SF2N2O3C19H24 |
AB2C2D3E19F24 |
-178.61 |
3.42 |
-8.62 |
-1.18 |
0 |
|
|
78231 |
49684191 |
1 |
SF2N2O3C19H24 |
AB2C2D3E19F24 |
-179.42 |
4.39 |
-8.58 |
-1.18 |
0 |
|
|
78232 |
49684192 |
1 |
SF2N2O3C19H24 |
AB2C2D3E19F24 |
-179.41 |
5.43 |
-8.62 |
-1.11 |
0 |
|
|
78233 |
49684193 |
1 |
SF2N2O3C19H24 |
AB2C2D3E19F24 |
-182.12 |
4.03 |
-8.66 |
-1.09 |
0 |
|
|
78234 |
49684194 |
1 |
ClN2S2O3C17H23 |
AB2C2D3E17F23 |
-78.92 |
4.42 |
-8.62 |
-1.25 |
0 |
|
|
78235 |
49684195 |
1 |
SN2O4C21H28 |
AB2C4D21E28 |
-124.58 |
2.84 |
-8.59 |
-1.08 |
0 |
|
|
78236 |
49684196 |
1 |
SN2O4C21H28 |
AB2C4D21E28 |
-126.95 |
6.78 |
-8.58 |
-1.01 |
0 |
|
|
78237 |
49684199 |
1 |
SN2O3C22H32 |
AB2C3D22E32 |
-120.5 |
5.14 |
-8.6 |
-0.27 |
0 |
|
|
78238 |
49684200 |
1 |
SN2O3C22H32 |
AB2C3D22E32 |
-106.69 |
5.5 |
-8.55 |
-0.43 |
0 |
|
|
78239 |
49684201 |
1 |
SN2O4C21H30 |
AB2C4D21E30 |
-130.88 |
6.2 |
-8.35 |
-0.62 |
0 |
|
|
78240 |
49684202 |
1 |
SN2O4C21H30 |
AB2C4D21E30 |
-135.35 |
6.02 |
-8.56 |
-0.4 |
0 |
|
|
78241 |
49684203 |
1 |
SN2O4C21H30 |
AB2C4D21E30 |
-139.59 |
5.86 |
-8.54 |
-0.48 |
0 |
|
|
78242 |
49684205 |
1 |
SN2O4C21H30 |
AB2C4D21E30 |
-140.74 |
5.4 |
-8.54 |
-0.28 |
0 |
|
|
78243 |
49684206 |
1 |
SN3O5C19H25 |
AB3C5D19E25 |
-82.94 |
5.96 |
-8.57 |
-1.81 |
0 |
|
|
78244 |
49684207 |
1 |
SN3O5C19H25 |
AB3C5D19E25 |
-86.19 |
3.19 |
-8.73 |
-1.98 |
0 |
|
|
78245 |
49684210 |
1 |
FSN2O4C20H27 |
ABC2D4E20F27 |
-170.94 |
5.99 |
-8.62 |
-0.88 |
0 |
|
|
78246 |
49684211 |
1 |
ClSN2O3C20H27 |
ABC2D3E20F27 |
-104.55 |
3.74 |
-8.61 |
-0.8 |
0 |
|
|
78247 |
49684213 |
1 |
ClSN2O3C20H27 |
ABC2D3E20F27 |
-108.32 |
4.03 |
-8.62 |
-0.78 |
0 |
|
|
78248 |
49684214 |
1 |
ClSN2O3C20H27 |
ABC2D3E20F27 |
-101.1 |
2.44 |
-8.58 |
-0.29 |
0 |
|
|
78249 |
49684216 |
1 |
ClSN2O3C20H27 |
ABC2D3E20F27 |
-101.79 |
3.03 |
-8.64 |
-0.36 |
0 |
|
|
78250 |
49684217 |
1 |
SN2O3C23H28 |
AB2C3D23E28 |
-69.43 |
5.28 |
-8.63 |
-1.05 |
0 |
|
|
78251 |
49684218 |
1 |
SN2O3C23H28 |
AB2C3D23E28 |
-68.53 |
5.04 |
-8.61 |
-1.08 |
0 |