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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
422112 |
135117224 |
1 |
ClN7O8C34H46 |
AB7C8D34E46 |
-271.56 |
5.45 |
-9.49 |
-0.29 |
0 |
|
|
422113 |
135117225 |
1 |
O2N3C21H27 |
A2B3C21D27 |
-47.24 |
3.81 |
-9.22 |
-0.13 |
0 |
|
|
422114 |
135117226 |
1 |
SN4O4C16H22 |
AB4C4D16E22 |
-101.73 |
5.01 |
-8.73 |
-0.24 |
0 |
|
|
422115 |
135117229 |
1 |
SN2O3C19H24 |
AB2C3D19E24 |
-88.52 |
8.82 |
-9.83 |
-0.71 |
0 |
|
|
422116 |
135117230 |
1 |
O2N4C15H20 |
A2B4C15D20 |
-34.73 |
2.74 |
-8.96 |
0.34 |
0 |
|
|
422117 |
135117232 |
2 |
ON2C9H12 |
AB2C9D12 |
-26.49 |
4.56 |
-8.94 |
-0.47 |
0 |
|
|
422118 |
135117238 |
1 |
SN2O3C16H18 |
AB2C3D16E18 |
-75.64 |
2.43 |
-9.03 |
-0.28 |
0 |
|
|
422119 |
135117239 |
1 |
FON6C19H25 |
ABC6D19E25 |
-30.75 |
5.05 |
-8.65 |
-0.39 |
0 |
|
|
422120 |
135117240 |
1 |
ClO2N4C18H27 |
AB2C4D18E27 |
-36.63 |
3.64 |
-8.36 |
0.0 |
0 |
|
|
422121 |
135117242 |
1 |
SN2O2C17H24 |
AB2C2D17E24 |
-90.16 |
1.94 |
-8.41 |
0.09 |
0 |
|
|
422122 |
135117243 |
1 |
ON3C17H27 |
AB3C17D27 |
-14.75 |
5.86 |
-8.63 |
0.86 |
0 |
|
|
422123 |
135117251 |
1 |
FNO3C23H26 |
ABC3D23E26 |
-146.52 |
3.89 |
-9.16 |
-0.28 |
0 |
|
|
422124 |
135117253 |
1 |
SO7N8C37H46 |
AB7C8D37E46 |
-218.56 |
10.3 |
-8.19 |
-0.52 |
0 |
|
|
422125 |
135117255 |
1 |
ON8C14H16 |
AB8C14D16 |
95.93 |
4.11 |
-8.65 |
-1.28 |
0 |
|
|
422126 |
135117256 |
1 |
ON4C19H26 |
AB4C19D26 |
-3.03 |
10.05 |
-8.45 |
-0.03 |
0 |
|
|
422127 |
135117257 |
1 |
ClNO2C17H24 |
ABC2D17E24 |
-104.72 |
4.78 |
-8.87 |
0.06 |
0 |
|
|
422128 |
135117258 |
1 |
ON5C21H29 |
AB5C21D29 |
7.97 |
0.76 |
-8.26 |
-0.02 |
0 |
|
|
422129 |
135117260 |
1 |
ON4C19H26 |
AB4C19D26 |
-7.2 |
4.68 |
-8.84 |
0.54 |
0 |
|
|
422130 |
135117263 |
1 |
ON3C23H31 |
AB3C23D31 |
-14.74 |
3.01 |
-8.12 |
-0.2 |
0 |
|
|
422131 |
135117264 |
1 |
ON5C21H31 |
AB5C21D31 |
-5.95 |
3.54 |
-8.11 |
0.36 |
0 |
|
|
422132 |
135117266 |
1 |
N3O4C16H21 |
A3B4C16D21 |
-139.99 |
6.26 |
-8.68 |
-0.59 |
0 |
|
|
422133 |
135117267 |
2 |
ON2C10H12 |
AB2C10D12 |
-56.06 |
3.0 |
-8.91 |
-0.48 |
0 |
|
|
422134 |
135117268 |
1 |
FNSO3C18H18 |
ABCD3E18F18 |
-133.85 |
5.52 |
-9.13 |
-0.74 |
0 |
|
|
422135 |
135117269 |
1 |
NO5C19H23 |
AB5C19D23 |
-181.72 |
6.83 |
-8.62 |
-0.55 |
0 |
|
|
422136 |
135117270 |
1 |
SO7N9C38H47 |
AB7C9D38E47 |
-162.76 |
12.71 |
-8.25 |
-1.43 |
0 |
|
|
422137 |
135117272 |
2 |
NOC11H12 |
ABC11D12 |
-31.99 |
5.42 |
-8.97 |
-0.58 |
0 |
|
|
422138 |
135117277 |
1 |
S2O3N4C18H22 |
A2B3C4D18E22 |
-70.16 |
6.31 |
-9.51 |
-1.29 |
0 |
|
|
422139 |
135117278 |
1 |
N4O4C23H30 |
A4B4C23D30 |
-114.34 |
1.72 |
-8.9 |
-0.54 |
0 |
|
|
422140 |
135117279 |
1 |
SN2O4C18H28 |
AB2C4D18E28 |
-170.89 |
2.69 |
-9.64 |
-0.27 |
0 |
|
|
422141 |
135117283 |
1 |
O2N3C16H19 |
A2B3C16D19 |
-15.83 |
7.48 |
-9.12 |
-0.89 |
0 |
|
|
422142 |
135117286 |
1 |
ClFN2O3C17H18 |
ABC2D3E17F18 |
-106.76 |
3.94 |
-9.8 |
-0.86 |
0 |
|
|
422143 |
135117288 |
1 |
N3O4C25H29 |
A3B4C25D29 |
-57.83 |
6.4 |
-8.88 |
-0.88 |
0 |
|
|
422144 |
135117289 |
2 |
N3O4C16H24 |
A3B4C16D24 |
-361.83 |
6.52 |
-9.4 |
0.3 |
0 |
|
|
422145 |
135117290 |
2 |
ON2C9H14 |
AB2C9D14 |
-70.43 |
3.09 |
-9.16 |
-0.9 |
0 |
|
|
422146 |
135117292 |
1 |
SO2N5C22H25 |
AB2C5D22E25 |
2.91 |
5.42 |
-9.13 |
-0.62 |
0 |
|
|
422147 |
135117293 |
1 |
FO2N5C17H18 |
AB2C5D17E18 |
-18.09 |
6.4 |
-8.79 |
-0.45 |
0 |
|
|
422148 |
135117294 |
1 |
SO2N3C19H27 |
AB2C3D19E27 |
-54.93 |
5.26 |
-9.07 |
-0.49 |
0 |
|
|
422149 |
135117295 |
1 |
NO5C15H17 |
AB5C15D17 |
-160.46 |
7.46 |
-8.98 |
-0.39 |
0 |
|
|
422150 |
135117296 |
1 |
ON2S2C13H20 |
AB2C2D13E20 |
-19.67 |
2.56 |
-8.82 |
-0.5 |
0 |
|
|
422151 |
135117298 |
1 |
N3O3C17H21 |
A3B3C17D21 |
-60.24 |
3.63 |
-9.4 |
-0.12 |
0 |
|
|
422152 |
135117301 |
1 |
ON2C15H22 |
AB2C15D22 |
-30.08 |
4.36 |
-9.31 |
-0.15 |
0 |
|
|
422153 |
135117302 |
1 |
SN3O3C16H17 |
AB3C3D16E17 |
-68.92 |
3.0 |
-9.24 |
-1.1 |
0 |
|
|
422154 |
135117303 |
1 |
OF3N3C16H16 |
AB3C3D16E16 |
-143.67 |
3.53 |
-9.41 |
-0.86 |
0 |
|
|
422155 |
135117304 |
1 |
ON3C17H21 |
AB3C17D21 |
25.08 |
2.75 |
-9.09 |
-0.29 |
0 |
|
|
422156 |
135117306 |
1 |
ClN3O3C19H22 |
AB3C3D19E22 |
-19.81 |
2.87 |
-9.44 |
-1.09 |
0 |
|
|
422157 |
135117308 |
1 |
OSN5C15H17 |
ABC5D15E17 |
45.11 |
4.84 |
-8.57 |
-0.62 |
0 |
|
|
422158 |
135117309 |
1 |
ON4C17H22 |
AB4C17D22 |
-10.34 |
2.23 |
-8.54 |
-0.37 |
0 |
|
|
422159 |
135117310 |
1 |
FSN2O5C14H19 |
ABC2D5E14F19 |
-231.37 |
5.09 |
-9.38 |
-0.68 |
0 |
|
|
422160 |
135117311 |
1 |
N2O3C18H26 |
A2B3C18D26 |
-128.02 |
5.98 |
-8.67 |
-0.31 |
0 |
|
|
422161 |
135117312 |
1 |
SO2N4C19H20 |
AB2C4D19E20 |
23.48 |
5.54 |
-9.19 |
-0.76 |
0 |
|
|
422162 |
135117315 |
1 |
O2N3C16H21 |
A2B3C16D21 |
-52.59 |
4.38 |
-9.3 |
-0.36 |
0 |
|
|
422163 |
135117319 |
1 |
FON4C15H19 |
ABC4D15E19 |
-37.94 |
2.78 |
-8.75 |
-0.37 |
0 |
|
|
422164 |
135117320 |
1 |
SN7O8C37H47 |
AB7C8D37E47 |
-256.75 |
9.33 |
-8.86 |
-1.32 |
0 |
|
|
422165 |
135117321 |
1 |
N3O3C14H21 |
A3B3C14D21 |
-67.64 |
1.61 |
-9.29 |
-0.07 |
0 |
|
|
422166 |
135117322 |
1 |
NSO3C18H27 |
ABC3D18E27 |
-146.89 |
5.67 |
-9.4 |
-0.38 |
0 |
|
|
422167 |
135117324 |
1 |
N2O2C19H24 |
A2B2C19D24 |
-44.54 |
2.16 |
-8.98 |
-0.57 |
0 |
|
|
422168 |
135117327 |
1 |
S2O3N4C14H18 |
A2B3C4D14E18 |
-63.44 |
4.35 |
-9.05 |
-1.05 |
0 |
|
|
422170 |
135117330 |
1 |
O6N7C35H45 |
A6B7C35D45 |
-196.12 |
6.24 |
-9.22 |
-0.49 |
0 |
|
|
422172 |
135117334 |
1 |
NSO5C17H25 |
ABC5D17E25 |
-229.37 |
4.77 |
-10.2 |
-0.75 |
0 |
|
|
422173 |
135117335 |
1 |
O3N4C17H22 |
A3B4C17D22 |
-128.57 |
6.65 |
-8.48 |
-0.3 |
0 |
|
|
422174 |
135117336 |
1 |
FON3C15H20 |
ABC3D15E20 |
-46.19 |
4.81 |
-9.17 |
-0.16 |
0 |
|
|
422175 |
135117341 |
1 |
N3O4C22H33 |
A3B4C22D33 |
-170.95 |
4.59 |
-8.32 |
0.12 |
0 |
|
|
422176 |
135117344 |
1 |
ClN2O3C17H21 |
AB2C3D17E21 |
-123.87 |
4.72 |
-9.55 |
-0.67 |
0 |
|
|
422177 |
135117345 |
1 |
O3N5C17H25 |
A3B5C17D25 |
-109.41 |
1.68 |
-8.54 |
0.02 |
0 |
|
|
422178 |
135117346 |
1 |
ON4C18H20 |
AB4C18D20 |
24.86 |
1.63 |
-8.84 |
-0.4 |
0 |
|
|
422179 |
135117347 |
1 |
FO3N5C20H28 |
AB3C5D20E28 |
-80.47 |
3.97 |
-8.5 |
-0.96 |
0 |
|
|
422180 |
135117349 |
1 |
SO2N3C15H21 |
AB2C3D15E21 |
-7.03 |
2.24 |
-9.12 |
-0.4 |
0 |
|
|
422181 |
135117350 |
1 |
S2O3N4C13H18 |
A2B3C4D13E18 |
-68.65 |
4.71 |
-8.8 |
-0.78 |
0 |
|
|
422182 |
135117351 |
1 |
ON4C16H22 |
AB4C16D22 |
64.95 |
4.82 |
-8.68 |
-0.28 |
0 |
|
|
422183 |
135117352 |
1 |
SN2O4C21H26 |
AB2C4D21E26 |
-129.34 |
6.18 |
-8.97 |
-0.08 |
0 |
|
|
422184 |
135117353 |
1 |
O2N3C15H19 |
A2B3C15D19 |
20.57 |
2.45 |
-8.9 |
-0.42 |
0 |
|
|
422185 |
135117354 |
1 |
OCl2N3C12H15 |
AB2C3D12E15 |
-36.9 |
3.75 |
-8.64 |
-0.55 |
0 |
|
|
422186 |
135117356 |
1 |
N3O3C18H25 |
A3B3C18D25 |
-79.0 |
2.59 |
-7.93 |
-0.48 |
0 |
|
|
422187 |
135117358 |
1 |
ClNSO4C18H24 |
ABCD4E18F24 |
-184.73 |
7.19 |
-8.45 |
-0.22 |
0 |
|
|
422188 |
135117359 |
1 |
N3O4C19H25 |
A3B4C19D25 |
-153.89 |
8.48 |
-9.28 |
-1.27 |
0 |
|
|
422189 |
135117360 |
1 |
ClN2O2C18H23 |
AB2C2D18E23 |
-97.27 |
5.74 |
-9.39 |
-0.18 |
0 |
|
|
422190 |
135117361 |
1 |
FSO2N3C23H24 |
ABC2D3E23F24 |
-57.15 |
7.19 |
-8.32 |
-0.4 |
0 |
|
|
422191 |
135117366 |
1 |
FN3O4C18H22 |
AB3C4D18E22 |
-132.86 |
2.24 |
-8.89 |
-1.4 |
0 |
|
|
422192 |
135117368 |
1 |
FN2O3C18H25 |
AB2C3D18E25 |
-155.88 |
2.71 |
-9.11 |
-0.53 |
0 |
|
|
422193 |
135117371 |
1 |
O2N6C17H20 |
A2B6C17D20 |
29.6 |
6.35 |
-8.87 |
-1.31 |
0 |
|
|
422194 |
135117372 |
1 |
S2N7O9C34H51 |
A2B7C9D34E51 |
-365.43 |
8.67 |
-8.93 |
-0.74 |
0 |
|
|
422195 |
135117379 |
1 |
ON4C24H28 |
AB4C24D28 |
2.17 |
4.26 |
-8.35 |
-0.22 |
0 |
|
|
422196 |
135117381 |
1 |
N3O3C19H23 |
A3B3C19D23 |
-59.53 |
4.21 |
-8.29 |
0.02 |
0 |
|
|
422197 |
135117383 |
1 |
ON5C24H31 |
AB5C24D31 |
3.18 |
4.09 |
-8.36 |
-0.31 |
0 |
|
|
422198 |
135117384 |
1 |
ClON5C14H18 |
ABC5D14E18 |
30.57 |
4.07 |
-9.2 |
-0.94 |
0 |
|
|
422199 |
135117386 |
1 |
SF2N2O2C18H20 |
AB2C2D2E18F20 |
-148.42 |
3.76 |
-9.09 |
-0.31 |
0 |
|
|
422200 |
135117387 |
1 |
ClN6O8C36H47 |
AB6C8D36E47 |
-275.27 |
10.2 |
-9.15 |
-1.06 |
0 |
|
|
422201 |
135117391 |
1 |
N2O3C24H30 |
A2B3C24D30 |
-91.0 |
5.74 |
-8.65 |
-0.41 |
0 |
|
|
422202 |
135117393 |
2 |
NO2C13H14 |
AB2C13D14 |
-118.44 |
6.18 |
-8.72 |
-0.38 |
0 |
|
|
422203 |
135117394 |
1 |
N2O4C23H34 |
A2B4C23D34 |
-157.59 |
1.46 |
-8.39 |
0.06 |
0 |
|
|
422204 |
135117395 |
1 |
ON4C16H26 |
AB4C16D26 |
-10.37 |
1.98 |
-8.13 |
0.05 |
0 |
|
|
422205 |
135117396 |
1 |
ON4C22H26 |
AB4C22D26 |
7.86 |
1.61 |
-9.33 |
-0.8 |
0 |
|
|
422206 |
135117398 |
4 |
NOC5H6 |
ABC5D6 |
-82.53 |
4.19 |
-8.57 |
-0.69 |
0 |
|
|
422207 |
135117400 |
1 |
OCl2N4C12H14 |
AB2C4D12E14 |
3.83 |
2.12 |
-9.36 |
-1.11 |
0 |
|
|
422209 |
135117404 |
1 |
ClON5C17H18 |
ABC5D17E18 |
72.75 |
5.61 |
-8.66 |
-0.98 |
0 |
|
|
422210 |
135117407 |
1 |
ClNO2C18H26 |
ABC2D18E26 |
-114.64 |
2.66 |
-8.97 |
0.0 |
0 |
|
|
422211 |
135117411 |
1 |
O2N5C19H21 |
A2B5C19D21 |
5.22 |
5.35 |
-9.71 |
-1.11 |
0 |
|
|
422212 |
135117414 |
1 |
FN3O4C17H22 |
AB3C4D17E22 |
-139.23 |
5.07 |
-9.13 |
-1.01 |
0 |
|
|
422213 |
135117415 |
1 |
NO3C20H27 |
AB3C20D27 |
-130.23 |
5.62 |
-8.95 |
0.07 |
0 |
|
|
422214 |
135117416 |
1 |
O2N6C21H24 |
A2B6C21D24 |
18.04 |
8.65 |
-8.78 |
-1.03 |
0 |