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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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386186 134981017 1 TiC13H13 AB13C13 99.63 3.9 0.0 0.0 0
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386188 134981021 1 BrOC8H11 ABC8D11 -44.76 4.09 -8.99 0.23 0
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386189 134981026 1 IH15C16 AB15C16 64.99 1.53 -9.41 -0.76 0
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386190 134981027 1 BrClZnC2H2 ABCD2E2 -1.12 3.34 -10.88 -0.71 0
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386191 134981028 1 INZnC2H2O2 ABCD2E2F2 -1.64 3.94 -9.91 -1.99 0
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386192 134981029 1 ClOSbH8C12 ABCD8E12 -4.47 2.98 -9.02 -0.57 0
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386193 134981031 1 AuOC7H19 ABC7D19 -11.52 3.25 -8.97 -0.05 0
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386194 134981036 1 OSi2C14H28 AB2C14D28 -130.86 0.51 -8.55 0.88 0
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386195 134981037 2 O2C7H11 A2B7C11 -193.86 6.3 -9.65 0.58 0
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386196 134981038 1 O3C12H20 A3B12C20 -119.46 3.98 -9.85 0.52 0
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386198 134981045 1 PdC8H14 AB8C14 44.38 0.47 -6.71 1.36 0
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386199 134981046 1 NS2C15H15 AB2C15D15 72.33 1.48 -8.19 -0.13 -1
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386201 134981051 1 CrPSiO4H23C24 ABCD4E23F24 -66.85 4.76 -6.43 -0.22 -1
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386202 134981053 1 YSi3C33H59 AB3C33D59 -63.82 6.09 -4.99 0.1 0
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386204 134981065 1 CrO4C10H10 AB4C10D10 -172.47 4.24 -8.91 -0.85 0
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386205 134981066 1 MoNO5H9C10 ABC5D9E10 -94.8 4.09 -7.64 0.76 0
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386206 134981067 1 CrC14H24 AB14C24 266.36 1.28 -6.29 0.85 0
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386211 134981078 1 BrOC12H21 ABC12D21 -89.62 2.56 -9.73 0.06 0
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386212 134981079 1 NC11H21 AB11C21 -13.09 1.65 -8.44 1.39 0
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386213 134981081 1 ClHgC10H17 ABC10D17 83.55 7.02 -8.16 -0.24 0
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386214 134981082 1 CdNSC3H5 ABCD3E5 51.55 4.33 -8.01 -0.33 0
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386215 134981083 1 Br2Mg2C11H22 A2B2C11D22 121.08 6.69 -5.14 -3.78 0
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386217 134981089 1 AuClN4C8H24 ABC4D8E24 38.07 7.1 -9.02 -2.23 0
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386218 134981092 1 BrHgH15C16 ABC15D16 69.46 3.78 -9.08 -0.56 0
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386219 134981093 1 AuLiN3C13H35 ABC3D13E35 138.9 7.78 -7.62 0.88 -2
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386221 134981095 1 SiO2C11H18 AB2C11D18 -99.88 1.31 -9.12 0.28 0
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386222 134981097 1 BSiN2C11H29 ABC2D11E29 -65.98 1.09 -7.21 1.26 0
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386223 134981100 1 PtSnCl3C12H15 ABC3D12E15 46.68 4.06 -9.1 -1.36 0
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386224 134981102 2 PtC6H10 AB6C10 164.15 4.85 -9.38 -2.51 0
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386225 134981104 2 PdO2C6H11 AB2C6D11 -120.44 5.97 -7.01 0.12 0
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386226 134981107 1 O4C13H20 A4B13C20 -159.88 2.55 -10.12 0.24 0
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386227 134981108 1 OSiC10H18 ABC10D18 -72.59 1.41 -8.37 1.04 -1
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386229 134981115 1 OSiC11H24 ABC11D24 -119.81 0.66 -8.84 1.04 0
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386230 134981120 1 BrMnNO4C8H8 ABCD4E8F8 -19.85 3.57 0.0 0.0 0
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386231 134981125 1 MoO4C8H8 AB4C8D8 2.85 4.36 -8.02 0.28 0
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386232 134981129 1 WO5C13H16 AB5C13D16 125.38 1.93 -6.4 0.35 0
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386233 134981130 1 WO2C12H12 AB2C12D12 157.18 7.81 -7.27 0.4 0
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386236 134981136 1 ON2C14H20 AB2C14D20 -30.68 0.82 -9.54 1.0 0
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386237 134981137 1 HgCl2C7H12 AB2C7D12 -27.52 4.4 -9.41 0.05 0
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386238 134981139 2 C9H13 A9B13 11.24 0.76 -9.36 0.41 0
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386239 134981140 1 OC15H22 AB15C22 -61.97 3.36 -9.2 0.8 0
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386240 134981143 1 ClINZnH5C9 ABCDE5F9 37.92 0.8 -9.36 -1.19 0
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386241 134981145 1 SC7H14 AB7C14 -13.65 1.37 -8.02 1.0 0
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386242 134981146 1 SiO2C9H20 AB2C9D20 -124.8 2.85 -8.97 1.24 0
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386243 134981149 1 INOH8C13 ABCD8E13 63.36 2.07 -9.2 -1.29 0
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386244 134981151 1 AuSN3C13H16 ABC3D13E16 246.16 19.39 -5.97 -2.35 0
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386245 134981159 1 NSi2C14H25 AB2C14D25 -53.12 1.39 -8.7 0.31 -1
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386248 134981178 1 RuC15H20 AB15C20 75.01 3.45 -7.15 -1.71 0
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386249 134981187 1 CrNH5O5C9 ABC5D5E9 -153.37 2.85 -8.96 -0.55 0
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386250 134981190 1 CrNO3H7C11 ABC3D7E11 113.08 1.5 -7.62 -0.14 -1
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386252 134981196 1 NC15H21 AB15C21 17.03 2.18 -8.04 0.61 0
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386253 134981197 2 OC5H9 AB5C9 -89.7 1.68 -9.47 0.8 0
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386254 134981208 1 NO2C10H15 AB2C10D15 -18.98 4.18 -9.95 -0.29 0
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386255 134981209 1 AuNC10H18 ABC10D18 63.16 6.93 -7.38 -0.66 0
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386256 134981213 1 ClHgC8H9 ABC8D9 18.04 3.86 -8.68 -0.81 0
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386257 134981219 1 IOSiC9H19 ABCD9E19 -95.1 2.03 -9.05 -0.53 0
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386258 134981224 1 CoO5C12H13 AB5C12D13 -132.68 26.39 -10.41 -6.49 0
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386259 134981225 1 O2C9H13 A2B9C13 -80.06 4.91 0.0 0.0 0
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386260 134981226 1 PtSnCl3C6H11 ABC3D6E11 27.6 3.23 -9.09 -1.46 0
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386261 134981227 1 CoO3C7H7 AB3C7D7 -59.06 3.76 -9.73 -4.53 0
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386262 134981228 1 IO2C11H11 AB2C11D11 -42.48 3.02 -9.18 -0.82 0
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386263 134981229 2 C7H9 A7B9 22.65 0.64 -9.24 0.49 2
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386266 134981237 1 RhO2C11H15 AB2C11D15 22.05 3.75 -10.42 -4.25 0
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386267 134981238 1 MnO2C12H13 AB2C12D13 83.51 1.57 -7.03 -0.21 0
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386268 134981239 1 RuO4F6C8 AB4C6D8 -108.39 0.51 -6.91 -3.03 0
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386269 134981240 2 OH6C8 AB6C8 72.72 3.73 -8.72 -1.67 0
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386270 134981246 2 OC5H9 AB5C9 -81.91 0.42 -9.88 1.16 -3
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386272 134981253 1 SiVC15H16 ABC15D16 100.59 3.13 0.0 0.0 0
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386276 134981263 1 ScC12H21 AB12C21 -21.13 0.64 -6.34 -1.88 0
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386277 134981264 1 ClHgOC15H27 ABCD15E27 -89.33 3.61 -9.41 0.2 0
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386278 134981265 1 CdOC6F6H8 ABC6D6E8 -384.36 6.89 -10.84 -0.1 0
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386280 134981267 1 HgF4H4C7 AB4C4D7 -99.48 4.94 -8.41 -2.97 0
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386281 134981277 1 NO2C12H15 AB2C12D15 -79.39 1.74 -9.47 0.04 0
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386282 134981287 1 SSiC11H16 ABC11D16 -22.52 1.49 -8.1 0.39 0
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386283 134981288 1 IrSC18H23 ABC18D23 113.83 7.19 -9.83 -4.17 0
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386284 134981289 1 MnNO2C10H12 ABC2D10E12 -3.93 5.79 -6.41 0.36 -1
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386285 134981294 1 CrNNaO5C6 ABCD5E6 -138.41 9.72 -7.8 0.04 2
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386287 134981298 1 BrCrNF2O5C7 ABCD2E5F7 -150.14 4.68 -8.01 -0.97 0
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386288 134981299 1 BrNC2F2 ABC2D2 -51.89 0.51 -11.5 -1.87 0
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386290 134981303 2 H8C9 A8B9 52.64 1.3 -8.45 -0.35 0
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386291 134981304 1 O2C15H20 A2B15C20 -88.81 5.43 -9.07 -0.48 0
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386293 134981308 1 VO2P2C13H23 AB2C2D13E23 -137.17 9.31 -6.62 -0.67 0
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386294 134981309 1 ClHgOC12H21 ABCD12E21 -58.01 2.26 -8.74 0.3 0
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386295 134981317 1 OSiC13H26 ABC13D26 -108.56 1.56 -9.59 0.93 0
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386296 134981318 1 AuBrC16H24 ABC16D24 105.88 10.13 -9.41 -1.21 0
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386297 134981320 1 OC13H16 AB13C16 -37.5 3.6 -9.51 0.23 0
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386298 134981321 1 OSiC14H26 ABC14D26 -97.82 3.72 -9.38 0.78 0
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386299 134981322 1 OC13H16 AB13C16 -35.65 3.13 -9.51 0.24 0
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386300 134981323 1 OSiC13H28 ABC13D28 -136.31 1.79 -9.43 1.09 0
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386301 134981324 1 SiO3C13H26 AB3C13D26 -189.29 1.38 -8.41 1.46 0
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386302 134981325 1 SiO3C7H18 AB3C7D18 -184.34 2.73 -9.45 1.08 0
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386303 134981326 1 ClNOSiC10H14 ABCDE10F14 -46.53 3.49 -9.48 -0.57 0
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386304 134981328 1 NO3C15H15 AB3C15D15 -57.21 3.33 -10.17 -0.88 0
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386305 134981329 1 CoO3C8H9 AB3C8D9 -47.12 17.0 -10.61 -6.0 0
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386306 134981330 1 N2C9H10 A2B9C10 57.81 4.08 -10.18 0.34 0
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386307 134981332 1 O3C11H16 A3B11C16 -139.78 4.25 -9.66 0.57 0
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386308 134981337 1 CrNO3H7C11 ABC3D7E11 55.19 1.51 -7.47 0.59 0
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386310 134981345 1 MnO2H5C7 AB2C5D7 20.3 1.05 -7.24 -0.56 0
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386311 134981351 1 NS2C13H15 AB2C13D15 40.4 4.8 -8.18 -0.02 0
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386312 134981353 1 CrHNF2O5C10 ABCD2E5F10 -106.85 3.0 -9.45 -1.36 0