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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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391241 135003806 1 ClN2O4C17H19 AB2C4D17E19 -156.6 7.27 -9.23 -0.24 0
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391242 135003817 1 N2O5C24H34 A2B5C24D34 -212.65 5.07 -8.83 -0.19 0
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391243 135003837 1 BrSF2O3H11C15 ABC2D3E11F15 -152.38 7.52 -9.32 -0.98 0
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391244 135003847 1 O4N6H20C23 A4B6C20D23 10.08 11.05 -8.85 -1.37 0
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391245 135003852 1 O2N3C24H29 A2B3C24D29 -51.55 2.25 -8.88 0.05 0
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391246 135003854 2 NO2C13H15 AB2C13D15 -122.3 4.62 -8.05 -0.35 0
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391247 135003861 1 NO3C18H23 AB3C18D23 -120.47 3.09 -9.86 -0.64 0
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391248 135003862 1 NSiO2C26H35 ABC2D26E35 -93.48 2.03 -8.71 -0.05 0
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391249 135003864 1 N3O5C23H25 A3B5C23D25 -77.01 5.85 -9.7 -1.56 0
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391250 135003865 1 ClSN2O2H19C26 ABC2D2E19F26 35.3 5.18 -8.65 -0.68 0
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391251 135003867 1 NO6C12H15 AB6C12D15 -215.53 2.79 -10.99 -0.5 0
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391252 135003893 1 OS2C25H50 AB2C25D50 -161.0 0.64 -8.94 -0.42 0
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391253 135003899 1 O3C16H32 A3B16C32 -201.69 2.51 -10.51 0.5 0
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391254 135003901 2 NO2H6C8 AB2C6D8 -112.48 3.01 -9.36 -1.19 0
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391255 135003908 1 NWO3C17H23 ABC3D17E23 119.87 3.79 -6.46 0.28 0
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391256 135003928 1 NSF6C21H23 ABC6D21E23 -320.42 4.38 -8.76 -0.61 0
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391257 135003931 1 ClS3H21C34 AB3C21D34 201.7 3.31 -8.23 -1.18 0
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391258 135003936 1 ClOC13H15 ABC13D15 -8.31 1.76 -9.15 0.28 0
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391259 135003937 1 NO2S2C15H23 AB2C2D15E23 -29.37 4.74 -8.18 0.02 0
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391260 135003940 1 BrOF3H10C12 ABC3D10E12 -143.12 2.9 -8.93 -1.03 0
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391261 135003964 1 NPO5C15H24 ABC5D15E24 -261.01 4.0 -9.03 0.12 0
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391262 135003967 1 N2O3C17H22 A2B3C17D22 -132.49 2.51 -8.54 -0.1 0
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391263 135003987 1 BrNO2C26H26 ABC2D26E26 -0.52 3.55 -9.13 -0.63 0
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391264 135003994 1 FN2O2H25C26 AB2C2D25E26 -39.56 4.75 -8.39 -0.16 0
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391265 135003998 1 NO5C18H25 AB5C18D25 -182.54 4.98 -9.2 0.34 0
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391266 135004008 1 NO4H25C30 AB4C25D30 -42.21 5.85 -8.98 -0.86 0
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391267 135004014 1 N3O3C14H23 A3B3C14D23 -144.57 4.06 -9.05 -0.37 0
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391268 135004025 1 N2O5C26H38 A2B5C26D38 -214.38 5.35 -8.95 -0.73 0
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391269 135004026 1 O4N5H19C23 A4B5C19D23 20.97 2.9 -9.53 -2.18 0
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391270 135004029 1 N2O7C29H30 A2B7C29D30 -235.5 2.03 -9.28 -0.37 0
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391271 135004041 1 N4O6C25H26 A4B6C25D26 -102.55 7.98 -8.74 -1.46 0
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391272 135004053 1 N3O5C25H27 A3B5C25D27 -132.24 3.06 -8.59 -1.12 0
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391273 135004055 1 SN2O4C18H20 AB2C4D18E20 -141.85 2.87 -8.68 -0.4 0
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391274 135004059 1 ClNO6C16H22 ABC6D16E22 -260.48 5.27 -9.41 -0.17 0
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391275 135004061 2 N2O4C11H12 A2B4C11D12 -233.26 4.0 -8.73 -0.64 0
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391276 135004062 1 NO5C23H29 AB5C23D29 -193.61 5.9 -8.49 -0.39 0
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391277 135004064 1 O2N3C21H25 A2B3C21D25 -36.88 3.43 -9.11 -0.23 0
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391278 135004080 1 O4F5Cl7C15H16 A4B5C7D15E16 -516.99 6.6 -10.51 -0.69 0
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391279 135004081 1 BrSF2O3H11C15 ABC2D3E11F15 -152.18 8.59 -9.42 -0.94 0
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391280 135004085 1 NSiO5C18H27 ABC5D18E27 -163.37 4.14 -9.09 -0.62 0
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391281 135004086 1 NO5C19H21 AB5C19D21 -100.27 5.09 -9.15 -0.71 0
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391282 135004090 1 NOH17C18 ABC17D18 4.38 1.78 -8.56 -0.37 0
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391283 135004113 1 SN2O4H22C25 AB2C4D22E25 -54.92 5.81 -9.89 -0.55 0
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391284 135004114 1 NSeO4C16H19 ABC4D16E19 29.57 6.28 -9.14 -3.03 0
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391285 135004119 1 FNO2H10C12 ABC2D10E12 -89.52 3.68 -10.03 -1.44 0
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391286 135004121 1 N2O5H12C15 A2B5C12D15 -5.43 7.93 -9.96 -1.91 0
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391287 135004129 1 BrOH17C18 ABC17D18 16.42 2.76 -9.56 -0.79 0
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391288 135004153 1 CrO6C34H40 AB6C34D40 30.01 2.88 -6.32 0.33 0
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391289 135004154 1 CrOC29H40 ABC29D40 24.36 0.45 -7.35 0.51 0
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391290 135004161 1 CrN2O7C29H30 AB2C7D29E30 -135.93 1.67 -8.37 -0.15 0
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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