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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
340180 |
127262189 |
1 |
N3O3C15H29 |
A3B3C15D29 |
-177.27 |
0.98 |
-9.11 |
0.93 |
0 |
|
|
340181 |
127262190 |
1 |
NO6C14H25 |
AB6C14D25 |
-306.71 |
3.57 |
-10.11 |
0.79 |
0 |
|
|
340182 |
127262191 |
1 |
N3O3C15H29 |
A3B3C15D29 |
-178.18 |
5.88 |
-9.02 |
0.74 |
0 |
|
|
340183 |
127262192 |
1 |
ClN2O4C21H23 |
AB2C4D21E23 |
-142.01 |
6.3 |
-9.42 |
-0.17 |
0 |
|
|
340184 |
127262193 |
1 |
N2F3O4C24H27 |
A2B3C4D24E27 |
-295.37 |
4.07 |
-9.7 |
-0.96 |
0 |
|
|
340185 |
127262194 |
1 |
O5N6C20H24 |
A5B6C20D24 |
-84.21 |
8.36 |
-9.06 |
-1.4 |
0 |
|
|
340186 |
127262195 |
1 |
NNaSO5C11H14 |
ABCD5E11F14 |
-241.06 |
11.12 |
-9.61 |
-0.55 |
0 |
|
|
340187 |
127262196 |
1 |
NSO6C19H29 |
ABC6D19E29 |
-275.42 |
4.7 |
-9.96 |
-0.53 |
0 |
|
|
340188 |
127262197 |
1 |
ClN2O2C14H21 |
AB2C2D14E21 |
-110.8 |
1.88 |
-9.1 |
-0.26 |
0 |
|
|
340189 |
127262198 |
1 |
F2N2O4C23H26 |
A2B2C4D23E26 |
-244.18 |
4.12 |
-9.48 |
-0.34 |
0 |
|
|
340190 |
127262199 |
1 |
N5O6C20H23 |
A5B6C20D23 |
-147.63 |
9.04 |
-9.69 |
-1.26 |
0 |
|
|
340191 |
127262200 |
1 |
NO4C9H15 |
AB4C9D15 |
-209.42 |
4.08 |
-10.65 |
0.01 |
0 |
|
|
340192 |
127262201 |
1 |
N2Cl4O4C27H34 |
A2B4C4D27E34 |
-190.03 |
3.8 |
-9.1 |
-0.07 |
0 |
|
|
340193 |
127262202 |
1 |
O2N3C13H15 |
A2B3C13D15 |
-21.88 |
5.54 |
-9.51 |
-0.3 |
0 |
|
|
340194 |
127262203 |
1 |
O3N7C18H39 |
A3B7C18D39 |
-132.28 |
2.2 |
-8.95 |
0.21 |
0 |
|
|
340195 |
127262204 |
1 |
ClNO3H8C11 |
ABC3D8E11 |
-62.44 |
4.1 |
-10.28 |
-1.41 |
0 |
|
|
340196 |
127262205 |
1 |
ClNOC12H14 |
ABCD12E14 |
-27.04 |
5.86 |
-10.17 |
-0.73 |
0 |
|
|
340197 |
127262206 |
2 |
NO2C9H14 |
AB2C9D14 |
-192.6 |
5.48 |
-9.46 |
0.03 |
0 |
|
|
340198 |
127262207 |
2 |
NOC9H11 |
ABC9D11 |
-76.45 |
2.63 |
-8.25 |
0.06 |
0 |
|
|
340199 |
127262208 |
1 |
N2O3C9H18 |
A2B3C9D18 |
-134.19 |
3.46 |
-9.26 |
0.84 |
0 |
|
|
340200 |
127262209 |
1 |
ClSN2O4C8H9 |
ABC2D4E8F9 |
-101.88 |
4.29 |
-9.37 |
-0.54 |
0 |
|
|
340201 |
127262210 |
1 |
SN3O4C9H9 |
AB3C4D9E9 |
-60.42 |
3.7 |
-9.66 |
-0.99 |
0 |
|
|
340202 |
127262211 |
1 |
SN2O5C9H12 |
AB2C5D9E12 |
-129.96 |
5.9 |
-8.9 |
-0.32 |
0 |
|
|
340203 |
127262212 |
1 |
SN2O4C9H12 |
AB2C4D9E12 |
-101.97 |
5.17 |
-9.23 |
-0.23 |
0 |
|
|
340204 |
127262213 |
1 |
SN2O4C8H10 |
AB2C4D8E10 |
-92.31 |
4.45 |
-9.36 |
-0.32 |
0 |
|
|
340205 |
127262214 |
1 |
ON2C11H20 |
AB2C11D20 |
0.77 |
2.34 |
-8.88 |
0.71 |
0 |
|
|
340206 |
127262215 |
1 |
ON2C13H26 |
AB2C13D26 |
-74.42 |
2.5 |
-8.85 |
1.25 |
0 |
|
|
340207 |
127262216 |
1 |
ON2C17H30 |
AB2C17D30 |
-52.89 |
2.04 |
-9.09 |
1.09 |
0 |
|
|
340208 |
127262217 |
1 |
ON2C21H32 |
AB2C21D32 |
-34.77 |
1.22 |
-8.58 |
0.18 |
0 |
|
|
340209 |
127262218 |
1 |
N2O3C18H34 |
A2B3C18D34 |
-143.13 |
2.95 |
-8.9 |
1.26 |
0 |
|
|
340210 |
127262219 |
1 |
ON2C25H48 |
AB2C25D48 |
-112.55 |
1.63 |
-8.82 |
1.25 |
0 |
|
|
340211 |
127262220 |
1 |
ClN2O2C11H13 |
AB2C2D11E13 |
-23.67 |
0.83 |
-9.65 |
-1.13 |
0 |
|
|
340212 |
127262221 |
1 |
ClN2O2C12H15 |
AB2C2D12E15 |
-23.86 |
1.27 |
-9.8 |
-1.21 |
0 |
|
|
340213 |
127262222 |
1 |
ClN2O2C10H11 |
AB2C2D10E11 |
-14.08 |
0.86 |
-9.65 |
-1.16 |
0 |
|
|
340214 |
127262223 |
1 |
ClN2O2C9H9 |
AB2C2D9E9 |
-7.37 |
0.58 |
-9.7 |
-1.2 |
0 |
|
|
340215 |
127262224 |
1 |
ON4H10C11 |
AB4C10D11 |
78.49 |
4.77 |
-9.77 |
-0.54 |
0 |
|
|
340216 |
127262225 |
1 |
ClSN2O2C7H7 |
ABC2D2E7F7 |
-46.05 |
4.46 |
-10.26 |
-0.7 |
0 |
|
|
340217 |
127262226 |
1 |
Cl2N2C11H12 |
A2B2C11D12 |
41.21 |
2.91 |
-8.98 |
-0.3 |
0 |
|
|
340218 |
127262227 |
1 |
Cl2N3H9C10 |
A2B3C9D10 |
61.32 |
1.26 |
-9.3 |
-1.14 |
0 |
|
|
340219 |
127262228 |
1 |
ClN2C13H23 |
AB2C13D23 |
-24.64 |
4.31 |
-9.32 |
0.55 |
0 |
|
|
340220 |
127262229 |
1 |
ClN2C11H15 |
AB2C11D15 |
23.89 |
3.08 |
-8.74 |
0.02 |
0 |
|
|
340221 |
127262230 |
1 |
ClN2C12H17 |
AB2C12D17 |
8.56 |
4.45 |
-9.01 |
0.13 |
0 |
|
|
340222 |
127262231 |
1 |
SN2O2Cl3H7C8 |
AB2C2D3E7F8 |
-60.42 |
5.31 |
-9.68 |
-0.97 |
0 |
|
|
340223 |
127262232 |
1 |
ClN2H13C14 |
AB2C13D14 |
66.93 |
2.97 |
-8.85 |
-0.18 |
0 |
|
|
340224 |
127262233 |
1 |
PN2O2S2C6H15 |
AB2C2D2E6F15 |
-166.91 |
4.06 |
-8.93 |
-0.28 |
0 |
|
|
340225 |
127262234 |
1 |
SN2C16H18 |
AB2C16D18 |
59.22 |
3.71 |
-8.6 |
-0.09 |
0 |
|
|
340226 |
127262235 |
1 |
SN2C22H22 |
AB2C22D22 |
79.84 |
1.3 |
-8.73 |
-0.14 |
0 |
|
|
340227 |
127262236 |
1 |
SCl2N2H16C20 |
AB2C2D16E20 |
81.94 |
2.29 |
-8.94 |
-0.55 |
0 |
|
|
340228 |
127262237 |
1 |
S3N4C10H12 |
A3B4C10D12 |
84.96 |
1.99 |
-8.89 |
-0.8 |
0 |
|
|
340229 |
127262238 |
1 |
SN2O2H18C22 |
AB2C2D18E22 |
25.79 |
2.4 |
-9.31 |
-0.6 |
0 |
|
|
340230 |
127262239 |
1 |
SN2C17H20 |
AB2C17D20 |
60.88 |
3.27 |
-8.24 |
-0.37 |
0 |
|
|
340231 |
127262240 |
1 |
SN2C16H18 |
AB2C16D18 |
65.79 |
1.62 |
-8.4 |
-0.1 |
0 |
|
|
340232 |
127262241 |
1 |
SN2O2H12C13 |
AB2C2D12E13 |
11.65 |
2.06 |
-9.01 |
-0.63 |
0 |
|
|
340233 |
127262242 |
1 |
FSN2C9H11 |
ABC2D9E11 |
-2.75 |
1.78 |
-8.97 |
-0.36 |
0 |
|
|
340234 |
127262243 |
1 |
SN3O3H13C15 |
AB3C3D13E15 |
35.88 |
5.21 |
-9.35 |
-1.75 |
0 |
|
|
340235 |
127262244 |
1 |
PSN2O3C15H25 |
ABC2D3E15F25 |
-177.91 |
5.09 |
-9.08 |
-0.09 |
0 |
|
|
340236 |
127262245 |
1 |
SN3C10H11 |
AB3C10D11 |
85.84 |
6.33 |
-9.5 |
-0.46 |
0 |
|
|
340237 |
127262246 |
1 |
SN4C10H12 |
AB4C10D12 |
86.85 |
4.99 |
-9.45 |
-0.34 |
0 |
|
|
340238 |
127262247 |
1 |
SN4C13H18 |
AB4C13D18 |
71.32 |
6.77 |
-8.43 |
-0.11 |
0 |
|
|
340239 |
127262248 |
1 |
SN3C8H11 |
AB3C8D11 |
53.75 |
2.6 |
-8.77 |
-0.17 |
0 |
|
|
340240 |
127262249 |
1 |
OSN3C7H15 |
ABC3D7E15 |
-8.2 |
2.46 |
-8.58 |
0.55 |
0 |
|
|
340241 |
127262250 |
1 |
SN2C11H16 |
AB2C11D16 |
36.35 |
2.53 |
-9.02 |
0.07 |
0 |
|
|
340242 |
127262251 |
1 |
SN2C15H16 |
AB2C15D16 |
77.65 |
2.22 |
-8.54 |
-0.06 |
0 |
|
|
340243 |
127262252 |
2 |
NOSC7H7 |
ABCD7E7 |
-3.5 |
5.49 |
-9.21 |
-0.54 |
0 |
|
|
340244 |
127262255 |
1 |
ClNS2C10H12 |
ABC2D10E12 |
14.54 |
4.06 |
-8.72 |
-0.51 |
0 |
|
|
340245 |
127262256 |
1 |
NOSC14H21 |
ABCD14E21 |
-38.54 |
3.91 |
-8.53 |
-0.15 |
0 |
|
|
340246 |
127262257 |
1 |
NOSC12H25 |
ABCD12E25 |
-88.39 |
4.45 |
-8.44 |
0.53 |
0 |
|
|
340247 |
127262258 |
1 |
NOSC16H33 |
ABCD16E33 |
-103.36 |
4.69 |
-8.5 |
0.44 |
0 |
|
|
340248 |
127262259 |
1 |
NSO3C13H17 |
ABC3D13E17 |
-104.93 |
2.8 |
-8.89 |
-0.71 |
0 |
|
|
340249 |
127262260 |
1 |
NOSC13H27 |
ABCD13E27 |
-95.01 |
3.56 |
-8.65 |
0.3 |
0 |
|
|
340250 |
127262261 |
1 |
NOSC14H19 |
ABCD14E19 |
-41.63 |
2.26 |
-8.86 |
0.04 |
0 |
|
|
340251 |
127262262 |
1 |
Cl2N4O4H10C15 |
A2B4C4D10E15 |
-12.3 |
4.57 |
-9.46 |
-1.91 |
0 |
|
|
340252 |
127262263 |
1 |
ClN3O3C17H28 |
AB3C3D17E28 |
-168.01 |
7.22 |
-8.88 |
-0.27 |
0 |
|
|
340253 |
127262264 |
2 |
ClN2O2C6H14 |
AB2C2D6E14 |
-250.23 |
4.07 |
-10.37 |
-0.01 |
0 |
|
|
340254 |
127262265 |
2 |
N2O2C6H13 |
A2B2C6D13 |
-178.11 |
1.7 |
-10.27 |
0.09 |
0 |
|
|
340255 |
127262266 |
1 |
F3O3C8H11 |
A3B3C8D11 |
-296.93 |
4.55 |
-10.04 |
-0.91 |
0 |
|
|
340256 |
127262267 |
1 |
O4C9H16 |
A4B9C16 |
-188.77 |
2.26 |
-10.32 |
0.13 |
0 |
|
|
340257 |
127262268 |
1 |
O3F6C14H14 |
A3B6C14D14 |
-435.63 |
5.05 |
-10.17 |
-0.73 |
0 |
|
|
340258 |
127262269 |
1 |
O3C11H12 |
A3B11C12 |
-70.49 |
1.14 |
-9.14 |
-0.3 |
0 |
|
|
340259 |
127262270 |
3 |
OC4H6 |
AB4C6 |
-91.34 |
0.71 |
-9.22 |
-0.1 |
0 |
|
|
340260 |
127262271 |
1 |
O5C22H26 |
A5B22C26 |
-157.61 |
1.97 |
-8.19 |
-0.21 |
0 |
|
|
340261 |
127262272 |
1 |
Cl2N2O3H14C17 |
A2B2C3D14E17 |
-42.07 |
5.76 |
-9.66 |
-1.98 |
0 |
|
|
340262 |
127262273 |
1 |
BrO4C16H23 |
AB4C16D23 |
-189.43 |
2.34 |
-9.12 |
-0.29 |
0 |
|
|
340263 |
127262274 |
1 |
BrO4C20H23 |
AB4C20D23 |
-154.54 |
2.76 |
-9.1 |
-0.39 |
0 |
|
|
340264 |
127262275 |
1 |
O6H16C19 |
A6B16C19 |
-200.14 |
3.11 |
-9.38 |
-1.82 |
0 |
|
|
340265 |
127262276 |
1 |
NO3C13H25 |
AB3C13D25 |
-135.15 |
2.65 |
-10.3 |
-0.04 |
0 |
|
|
340266 |
127262277 |
1 |
NO6C23H27 |
AB6C23D27 |
-174.14 |
2.57 |
-8.81 |
-0.82 |
0 |
|
|
340267 |
127262278 |
1 |
NO6C28H37 |
AB6C28D37 |
-198.67 |
2.91 |
-8.81 |
-0.83 |
0 |
|
|
340268 |
127262279 |
1 |
O3C8H14 |
A3B8C14 |
-136.96 |
1.28 |
-9.69 |
0.2 |
0 |
|
|
340269 |
127262280 |
2 |
SiO3C6H13 |
AB3C6D13 |
-391.07 |
2.01 |
-10.1 |
0.0 |
0 |
|
|
340270 |
127262281 |
2 |
O2C5H5 |
A2B5C5 |
-45.95 |
2.79 |
-9.1 |
-0.68 |
0 |
|
|
340271 |
127262282 |
1 |
N2O5C16H28 |
A2B5C16D28 |
-279.94 |
2.28 |
-10.19 |
-0.01 |
0 |
|
|
340272 |
127262283 |
1 |
N2O2C15H26 |
A2B2C15D26 |
-138.63 |
1.54 |
-10.11 |
1.17 |
0 |
|
|
340273 |
127262284 |
1 |
SCl2O2N5C8H11 |
AB2C2D5E8F11 |
-23.18 |
3.64 |
-9.14 |
-1.18 |
0 |
|
|
340274 |
127262285 |
1 |
OCl2N2S2C5H14 |
AB2C2D2E5F14 |
-111.57 |
2.02 |
-9.69 |
-0.99 |
0 |
|
|
340275 |
127262286 |
1 |
NO4C21H43 |
AB4C21D43 |
-248.75 |
9.87 |
-9.33 |
-0.05 |
0 |
|
|
340276 |
127262287 |
1 |
ClO2H15C21 |
AB2C15D21 |
3.86 |
2.97 |
-9.22 |
-0.67 |
0 |
|
|
340277 |
127262288 |
1 |
NCl2O2C18H25 |
AB2C2D18E25 |
-110.66 |
6.1 |
-9.05 |
-0.83 |
0 |
|
|
340278 |
127262289 |
1 |
ClO5H9C10 |
AB5C9D10 |
-131.38 |
6.51 |
-10.27 |
-2.11 |
0 |
|
|
340279 |
127262290 |
1 |
ClH3O3C6 |
AB3C3D6 |
-51.82 |
5.03 |
-11.44 |
-2.29 |
0 |