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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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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