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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
298144 |
117647722 |
2 |
N2H27C35 |
A2B27C35 |
286.51 |
1.96 |
-8.29 |
-1.13 |
0 |
|
|
298145 |
117647733 |
1 |
N3H47C61 |
A3B47C61 |
229.01 |
3.08 |
-7.95 |
-0.66 |
0 |
|
|
298146 |
117647735 |
1 |
N2F3O3C20H21 |
A2B3C3D20E21 |
-234.91 |
7.18 |
-9.6 |
-0.87 |
0 |
|
|
298147 |
117647743 |
1 |
N3H55C71 |
A3B55C71 |
272.22 |
1.62 |
-8.2 |
-0.9 |
0 |
|
|
298148 |
117647745 |
1 |
N3H63C91 |
A3B63C91 |
408.68 |
2.68 |
-7.76 |
-0.67 |
0 |
|
|
298149 |
117647749 |
4 |
NH11C14 |
AB11C14 |
226.44 |
2.47 |
-8.0 |
-0.88 |
0 |
|
|
298150 |
117647764 |
3 |
NH15C19 |
AB15C19 |
210.7 |
1.93 |
-7.9 |
-0.82 |
0 |
|
|
298151 |
117647772 |
1 |
ClNO2F3H11C15 |
ABC2D3E11F15 |
-185.47 |
8.6 |
-10.22 |
-1.3 |
0 |
|
|
298152 |
117647777 |
1 |
N3H47C58 |
A3B47C58 |
201.38 |
1.1 |
-7.82 |
-0.8 |
0 |
|
|
298153 |
117647778 |
1 |
N6H38C49 |
A6B38C49 |
235.85 |
1.73 |
-8.06 |
-1.32 |
0 |
|
|
298154 |
117647779 |
1 |
SN2H36C47 |
AB2C36D47 |
168.55 |
4.21 |
-8.0 |
-0.71 |
0 |
|
|
298155 |
117647804 |
1 |
N4H44C53 |
A4B44C53 |
197.98 |
3.14 |
-7.8 |
-0.76 |
0 |
|
|
298156 |
117647812 |
1 |
NH13C19 |
AB13C19 |
82.92 |
1.84 |
-8.59 |
-0.83 |
0 |
|
|
298157 |
117647819 |
1 |
BrN3H26C34 |
AB3C26D34 |
134.17 |
1.12 |
-8.27 |
-1.35 |
0 |
|
|
298158 |
117647831 |
2 |
O6C13H20 |
A6B13C20 |
-557.61 |
3.54 |
-10.1 |
0.35 |
0 |
|
|
298159 |
117647841 |
1 |
ClN4O5C23H31 |
AB4C5D23E31 |
-235.89 |
6.41 |
-9.02 |
-0.6 |
0 |
|
|
298160 |
117647844 |
1 |
O15C34H36 |
A15B34C36 |
-605.14 |
7.51 |
-8.98 |
-1.02 |
0 |
|
|
298161 |
117647848 |
1 |
ON3H17C19 |
AB3C17D19 |
31.64 |
5.98 |
-7.96 |
-0.56 |
0 |
|
|
298162 |
117647849 |
1 |
OBr2C21H22 |
AB2C21D22 |
-23.95 |
1.91 |
-8.98 |
-0.24 |
0 |
|
|
298163 |
117647870 |
1 |
O3C10H16 |
A3B10C16 |
-134.36 |
2.32 |
-9.78 |
0.02 |
0 |
|
|
298164 |
117647871 |
2 |
O3C5H7 |
A3B5C7 |
-255.81 |
5.25 |
-10.68 |
-1.1 |
0 |
|
|
298165 |
117647872 |
2 |
O3C7H11 |
A3B7C11 |
-279.21 |
1.85 |
-10.29 |
-0.17 |
0 |
|
|
298166 |
117647873 |
1 |
O5C17H30 |
A5B17C30 |
-286.19 |
2.14 |
-10.12 |
0.6 |
0 |
|
|
298167 |
117647874 |
1 |
O5C15H28 |
A5B15C28 |
-280.26 |
1.78 |
-10.14 |
0.62 |
0 |
|
|
298168 |
117647877 |
1 |
O5C9H16 |
A5B9C16 |
-244.82 |
2.73 |
-10.02 |
0.28 |
0 |
|
|
298189 |
117647991 |
2 |
P2O11C58H65 |
A2B11C58D65 |
-808.92 |
5.68 |
-8.08 |
-0.52 |
0 |
|
|
298190 |
117647992 |
1 |
P3O14H71C72 |
A3B14C71D72 |
-547.22 |
3.67 |
-8.0 |
-1.1 |
0 |
|
|
298191 |
117647995 |
1 |
P3O10C84H95 |
A3B10C84D95 |
-416.09 |
7.76 |
-7.63 |
-1.7 |
0 |
|
|
298192 |
117648000 |
1 |
P3O15C80H91 |
A3B15C80D91 |
-630.61 |
3.36 |
-8.0 |
-0.85 |
0 |
|
|
298193 |
117648002 |
2 |
ClPO4C22H28 |
ABC4D22E28 |
-403.09 |
5.35 |
-8.53 |
-0.45 |
0 |
|
|
298194 |
117648012 |
1 |
OPN2F3C11H16 |
ABC2D3E11F16 |
-174.82 |
3.29 |
-8.63 |
0.21 |
0 |
|
|
298195 |
117648015 |
1 |
N3H43C62 |
A3B43C62 |
289.6 |
1.51 |
-7.61 |
-0.7 |
0 |
|
|
298196 |
117648018 |
1 |
N3H29C42 |
A3B29C42 |
211.26 |
0.78 |
-7.54 |
-0.79 |
0 |
|
|
298197 |
117648021 |
1 |
N3H29C42 |
A3B29C42 |
213.09 |
0.29 |
-7.54 |
-0.76 |
0 |
|
|
298198 |
117648022 |
1 |
N3H37C56 |
A3B37C56 |
268.97 |
1.46 |
-7.54 |
-0.81 |
0 |
|
|
298199 |
117648025 |
2 |
N3H23C33 |
A3B23C33 |
340.68 |
2.65 |
-7.73 |
-0.84 |
0 |
|
|
298200 |
117648026 |
5 |
NH9C13 |
AB9C13 |
325.13 |
1.92 |
-7.62 |
-0.83 |
0 |
|
|
298201 |
117648027 |
1 |
N3H39C58 |
A3B39C58 |
275.06 |
0.7 |
-7.59 |
-0.71 |
0 |
|
|
298202 |
117648030 |
2 |
N2H21C32 |
A2B21C32 |
311.45 |
1.48 |
-7.58 |
-0.92 |
0 |
|
|
298203 |
117648031 |
2 |
N2H19C28 |
A2B19C28 |
277.8 |
1.12 |
-7.72 |
-0.87 |
0 |
|
|
298204 |
117648033 |
4 |
NH13C20 |
AB13C20 |
383.54 |
2.53 |
-7.63 |
-0.9 |
0 |
|
|
298205 |
117648037 |
1 |
N3H31C46 |
A3B31C46 |
227.04 |
1.49 |
-7.58 |
-0.68 |
0 |
|
|
298206 |
117648039 |
1 |
N3H43C62 |
A3B43C62 |
287.21 |
0.87 |
-7.58 |
-0.71 |
0 |
|
|
298207 |
117648041 |
3 |
NH11C16 |
AB11C16 |
234.4 |
0.68 |
-7.63 |
-0.7 |
0 |
|
|
298208 |
117648047 |
1 |
SH32C43 |
AB32C43 |
129.55 |
2.15 |
-8.16 |
-0.95 |
0 |
|
|
298209 |
117648048 |
1 |
SH38C46 |
AB38C46 |
106.93 |
2.23 |
-8.02 |
-0.87 |
0 |
|
|
298210 |
117648050 |
1 |
N3H31C46 |
A3B31C46 |
230.59 |
0.72 |
-7.59 |
-0.8 |
0 |
|
|
298211 |
117648051 |
1 |
N3H43C62 |
A3B43C62 |
287.39 |
0.63 |
-7.58 |
-0.73 |
0 |
|
|
298212 |
117648055 |
2 |
N2H19C29 |
A2B19C29 |
289.75 |
1.85 |
-7.63 |
-0.91 |
0 |
|
|
298213 |
117648057 |
2 |
N2H20C31 |
A2B20C31 |
304.85 |
3.02 |
-7.64 |
-0.9 |
0 |
|
|
298214 |
117648059 |
1 |
SH32C43 |
AB32C43 |
128.47 |
1.0 |
-8.14 |
-0.9 |
0 |
|
|
298215 |
117648062 |
1 |
SH34C44 |
AB34C44 |
120.23 |
1.65 |
-8.1 |
-0.87 |
0 |
|
|
298216 |
117648067 |
2 |
N2H23C34 |
A2B23C34 |
326.7 |
0.65 |
-7.6 |
-0.81 |
0 |
|
|
298217 |
117648068 |
1 |
N3H35C52 |
A3B35C52 |
250.02 |
0.65 |
-7.64 |
-0.7 |
0 |
|
|
298218 |
117648069 |
3 |
NH13C20 |
AB13C20 |
283.38 |
0.85 |
-7.64 |
-0.9 |
0 |
|
|
298219 |
117648071 |
1 |
SH30C42 |
AB30C42 |
140.3 |
2.37 |
-8.12 |
-0.96 |
0 |
|
|
298220 |
117648072 |
1 |
SH30C45 |
AB30C45 |
164.98 |
1.84 |
-8.24 |
-0.98 |
0 |
|
|
298221 |
117648073 |
1 |
SH34C48 |
AB34C48 |
161.39 |
1.47 |
-8.2 |
-0.97 |
0 |
|
|
298222 |
117648075 |
1 |
N5H37C55 |
A5B37C55 |
288.21 |
0.79 |
-7.72 |
-0.93 |
0 |
|
|
298223 |
117648078 |
1 |
NSH35C59 |
ABC35D59 |
265.94 |
5.98 |
-8.21 |
-1.09 |
0 |
|
|
298224 |
117648079 |
1 |
NSH33C45 |
ABC33D45 |
151.33 |
6.69 |
-8.2 |
-1.11 |
0 |
|
|
298225 |
117648080 |
1 |
SH34C47 |
AB34C47 |
146.69 |
2.34 |
-8.14 |
-0.94 |
0 |
|
|
298226 |
117648083 |
1 |
SH36C45 |
AB36C45 |
109.15 |
1.57 |
-8.11 |
-0.89 |
0 |
|
|
298227 |
117648084 |
1 |
NSH29C43 |
ABC29D43 |
170.37 |
6.62 |
-8.26 |
-1.2 |
0 |
|
|
298228 |
117648085 |
1 |
NSH29C46 |
ABC29D46 |
196.92 |
5.77 |
-8.31 |
-1.22 |
0 |
|
|
298229 |
117648088 |
1 |
NSH37C53 |
ABC37D53 |
195.98 |
4.41 |
-8.21 |
-1.01 |
0 |
|
|
298230 |
117648091 |
1 |
N5H39C59 |
A5B39C59 |
303.25 |
0.34 |
-7.63 |
-0.95 |
0 |
|
|
298231 |
117648093 |
1 |
N3H31C40 |
A3B31C40 |
176.91 |
1.23 |
-7.4 |
-0.58 |
0 |
|
|
298232 |
117648095 |
1 |
N3H41C62 |
A3B41C62 |
291.46 |
1.21 |
-7.63 |
-0.83 |
0 |
|
|
298233 |
117648096 |
1 |
SH30C51 |
AB30C51 |
307.7 |
1.19 |
-8.22 |
-0.99 |
0 |
|
|
298234 |
117648097 |
1 |
SH34C57 |
AB34C57 |
244.66 |
1.03 |
-8.19 |
-0.98 |
0 |
|
|
298236 |
117648102 |
1 |
F2O4N7C30H37 |
A2B4C7D30E37 |
-212.05 |
4.86 |
-8.47 |
-0.67 |
0 |
|
|
298237 |
117648104 |
1 |
SH30C45 |
AB30C45 |
157.34 |
1.57 |
-8.29 |
-0.83 |
0 |
|
|
298238 |
117648106 |
1 |
SH32C55 |
AB32C55 |
316.59 |
1.12 |
-8.4 |
-0.88 |
0 |
|
|
298239 |
117648108 |
2 |
BrNH8C13 |
ABC8D13 |
141.51 |
0.41 |
-8.03 |
-0.93 |
0 |
|
|
298240 |
117648110 |
1 |
NSH31C48 |
ABC31D48 |
203.28 |
6.12 |
-8.33 |
-1.22 |
0 |
|
|
298241 |
117648115 |
1 |
SH32C49 |
AB32C49 |
173.5 |
1.5 |
-8.29 |
-0.86 |
0 |
|
|
298242 |
117648120 |
6 |
NH7C10 |
AB7C10 |
318.78 |
3.6 |
-7.63 |
-0.88 |
0 |
|
|
298243 |
117648121 |
1 |
N5H39C59 |
A5B39C59 |
303.37 |
4.24 |
-7.69 |
-0.98 |
0 |
|
|
298244 |
117648122 |
2 |
N2H20C29 |
A2B20C29 |
268.68 |
3.52 |
-7.86 |
-0.72 |
0 |
|
|
298245 |
117648126 |
1 |
SH32C55 |
AB32C55 |
355.06 |
1.15 |
-8.02 |
-1.57 |
0 |
|
|
298246 |
117648127 |
1 |
NSH31C44 |
ABC31D44 |
159.91 |
6.58 |
-8.24 |
-1.2 |
0 |
|
|
298247 |
117648130 |
2 |
O2C11H15 |
A2B11C15 |
-111.16 |
7.88 |
-8.68 |
-0.34 |
0 |
|
|
298248 |
117648131 |
1 |
NSH35C57 |
ABC35D57 |
246.34 |
2.81 |
-8.19 |
-0.97 |
0 |
|
|
298249 |
117648132 |
2 |
O2C11H14 |
A2B11C14 |
-100.92 |
4.37 |
-8.92 |
-0.55 |
0 |
|
|
298250 |
117648133 |
1 |
O3C22H30 |
A3B22C30 |
-140.77 |
6.13 |
-9.73 |
-0.04 |
0 |
|
|
298251 |
117648135 |
1 |
BrSO2H13C20 |
ABC2D13E20 |
0.19 |
4.51 |
-8.81 |
-0.98 |
0 |
|
|
298252 |
117648138 |
1 |
NC14H27 |
AB14C27 |
-29.96 |
1.24 |
-8.29 |
2.7 |
0 |
|
|
298253 |
117648142 |
1 |
FO3C23H31 |
AB3C23D31 |
-118.21 |
1.92 |
-9.36 |
-0.77 |
0 |
|
|
298254 |
117648143 |
1 |
PO7C22H33 |
AB7C22D33 |
-388.89 |
2.38 |
-9.79 |
-0.48 |
0 |
|
|
298255 |
117648150 |
1 |
BrO2C14H17 |
AB2C14D17 |
-53.72 |
4.43 |
-9.09 |
-0.25 |
0 |
|
|
298256 |
117648153 |
1 |
NOC12H13 |
ABC12D13 |
-3.06 |
3.32 |
-8.55 |
-0.53 |
0 |
|
|
298257 |
117648154 |
1 |
OBr2C12H12 |
AB2C12D12 |
-6.51 |
3.54 |
-9.68 |
-0.74 |
0 |
|
|
298258 |
117648155 |
1 |
NOC11H13 |
ABC11D13 |
-28.61 |
3.21 |
-8.52 |
-0.48 |
0 |
|
|
298259 |
117648156 |
1 |
BrO2C14H17 |
AB2C14D17 |
-60.74 |
3.47 |
-9.37 |
-0.21 |
0 |
|
|
298260 |
117648161 |
1 |
NO2C13H17 |
AB2C13D17 |
-73.13 |
3.13 |
-8.49 |
-0.48 |
0 |
|
|
298261 |
117648162 |
1 |
FO2N9C25H32 |
AB2C9D25E32 |
-22.96 |
5.53 |
-8.9 |
-1.04 |
0 |
|
|
298262 |
117648167 |
3 |
CH2S3 |
AB2C3 |
26.07 |
4.55 |
-8.46 |
-2.18 |
0 |
|
|
298263 |
117648168 |
1 |
FO3N7C25H32 |
AB3C7D25E32 |
-91.85 |
7.81 |
-8.34 |
-0.32 |
0 |
|
|
298265 |
117648176 |
1 |
N3O4C18H23 |
A3B4C18D23 |
-165.9 |
5.67 |
-9.09 |
-1.55 |
0 |