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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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391291 135004163 1 BrNOF3H11C12 ABCD3E11F12 -188.88 1.91 -9.2 -0.78 0
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391292 135004172 1 ClN2O2C21H25 AB2C2D21E25 -28.59 3.44 -8.93 -0.13 0
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391293 135004173 2 OC7H9 AB7C9 -72.68 0.4 -7.86 -0.12 0
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391294 135004187 1 WO7H16C17 AB7C16D17 -48.58 2.69 -7.06 -0.23 0
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391295 135004188 1 WO2C12H16 AB2C12D16 104.68 3.23 -6.3 0.04 0
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391296 135004189 1 ClWN3O6H16C23 ABC3D6E16F23 167.47 7.16 -6.91 -1.02 0
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391297 135004191 1 CrN2Cl3O6H13C16 AB2C3D6E13F16 -69.08 3.05 -7.42 -1.39 0
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391298 135004196 1 SiO2C12H18 AB2C12D18 -73.37 1.42 -9.58 -0.23 0
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391299 135004211 1 NWH25C26 ABC25D26 295.21 3.86 -6.92 -0.79 0
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391300 135004212 1 NWO5C31H31 ABC5D31E31 166.81 7.81 -6.66 -0.38 0
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391301 135004213 1 NWC26H31 ABC26D31 223.37 2.54 -6.29 -0.44 0
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391302 135004214 1 FeNOH37C40 ABCD37E40 302.39 6.27 -6.79 -1.18 0
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391303 135004215 1 NOH32C35 ABC32D35 111.63 7.35 0.0 0.0 0
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391304 135004217 1 O3C16H18 A3B16C18 -94.32 3.2 -8.77 0.09 0
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391305 135004220 1 FSH13C15 ABC13D15 9.08 1.8 -8.82 -0.29 0
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391306 135004221 1 BrOSSiC23H31 ABCDE23F31 -51.27 1.53 -8.81 -0.32 0
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391307 135004234 1 N2O4C11H16 A2B4C11D16 -193.93 5.43 -10.56 -0.17 0
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391308 135004236 1 ClNOH20C22 ABCD20E22 17.29 5.29 -8.46 -0.02 0
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391309 135004246 1 N2O3C15H20 A2B3C15D20 -115.49 3.98 -9.67 -0.8 0
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391310 135004247 1 NPO3C11H16 ABC3D11E16 -173.88 4.51 -8.63 0.0 0
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391311 135004253 1 NCl2O3H19C24 AB2C3D19E24 -57.24 4.72 -9.63 -0.71 0
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391312 135004259 1 NO3C22H33 AB3C22D33 -140.27 2.37 -9.57 0.01 0
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391313 135004272 1 N3O9H23C28 A3B9C23D28 -105.24 6.92 -9.77 -1.92 0
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391314 135004277 1 BrNO6H26C29 ABC6D26E29 -135.06 5.85 -9.2 -0.51 1
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391315 135004283 1 NO7C21H26 AB7C21D26 -268.76 1.66 0.0 0.0 0
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391316 135004286 1 NO5C15H17 AB5C15D17 -151.14 5.19 -8.6 -0.58 1
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391317 135004298 1 NO7H20C21 AB7C20D21 -218.8 7.18 0.0 0.0 0
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391318 135004299 1 N3O6H19C23 A3B6C19D23 -74.62 9.05 -8.73 -1.31 0
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391319 135004313 1 ClNO6C18H26 ABC6D18E26 -250.15 3.05 -9.23 -1.08 0
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391320 135004315 1 N4O5C21H24 A4B5C21D24 -112.25 3.71 -9.1 -0.56 0
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391321 135004318 1 SN2O2C22H22 AB2C2D22E22 -20.11 4.29 -8.58 -0.33 0
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391322 135004327 1 NO6C21H23 AB6C21D23 -218.47 3.45 -8.88 -0.87 0
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391323 135004335 1 NF3O3H8C11 AB3C3D8E11 -222.98 2.49 -10.1 -1.08 0
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391324 135004337 1 ClON3C17H22 ABC3D17E22 4.68 4.97 -8.97 -0.96 0
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391325 135004338 1 NO3C20H21 AB3C20D21 -93.43 4.77 -8.9 -0.65 0
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391326 135004339 1 NO3C19H21 AB3C19D21 -101.97 3.7 -8.64 -0.56 0
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391328 135004342 1 N2O4H22C25 A2B4C22D25 14.39 4.86 -8.9 -0.83 0
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391329 135004350 1 SiF3C19H21 AB3C19D21 -159.49 4.63 -8.99 -0.72 0
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391330 135004354 1 NOH17C19 ABC17D19 28.82 2.95 -9.16 -0.38 0
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391331 135004355 1 NSO2H21C24 ABC2D21E24 18.63 6.07 -8.38 -0.63 0
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391332 135004365 1 NC17H21 AB17C21 39.36 1.08 -8.96 0.33 -1
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391333 135004369 1 BS2F3C7H11 AB2C3D7E11 -275.92 6.02 0.0 0.0 0
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391334 135004370 1 NSeO4C20H21 ABC4D20E21 36.49 7.64 -9.04 -2.93 0
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391335 135004373 1 FN2O2C13H21 AB2C2D13E21 -140.42 1.87 -10.01 0.04 0
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391336 135004374 1 NO4C13H17 AB4C13D17 -82.86 4.08 -9.33 -1.27 0
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391337 135004376 1 NC24H25 AB24C25 65.06 1.91 -9.16 0.13 0
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391338 135004387 1 NOH11C16 ABC11D16 73.58 3.33 -8.75 -0.77 0
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391339 135004388 1 FeO6C12H16 AB6C12D16 -159.83 6.62 -8.02 -0.28 0
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391340 135004406 1 WO6C14H14 AB6C14D14 -39.84 1.96 -6.4 0.18 0
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391341 135004407 1 OWC9H14 ABC9D14 82.81 1.74 -6.51 0.3 0