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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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401312 135050886 1 Cr2O9H10C16 A2B9C10D16 -179.65 1.03 -7.31 -0.3 0
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401313 135050887 1 O2S2N3H15C17 A2B2C3D15E17 21.92 8.85 -8.71 -0.86 0
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401314 135050888 2 NSO3C7H8 ABC3D7E8 -195.22 4.11 -8.75 -1.09 0
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401315 135050893 1 BrNO3H16C18 ABC3D16E18 -60.58 2.44 -9.55 -0.79 0
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401316 135050896 1 NSO3C11H15 ABC3D11E15 -87.76 7.45 -9.94 -0.4 0
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401317 135050897 1 N3S3C11H11 A3B3C11D11 112.16 3.63 -8.71 -0.75 1
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401318 135050899 1 ClON2C14H18 ABC2D14E18 -6.64 3.61 0.0 0.0 0
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401319 135050905 1 BrOSN2C19H19 ABCD2E19F19 40.75 5.22 -8.32 -0.42 0
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401320 135050906 1 BrOSN2H19C23 ABCD2E19F23 69.39 4.02 -8.39 -0.94 0
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401321 135050907 2 ClNOSC4H9 ABCDE4F9 -140.47 9.03 -9.37 -1.46 0
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401322 135050917 1 N4O7H12C13 A4B7C12D13 -62.15 4.65 -10.41 -1.81 0
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401323 135050918 1 N2O4H12C15 A2B4C12D15 -26.43 5.68 -9.98 -1.79 0
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401324 135050927 1 NSO6C18H19 ABC6D18E19 -160.51 3.68 -8.6 -0.38 0
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401325 135050934 1 ClNO2H14C15 ABC2D14E15 -36.62 3.37 -9.76 -0.62 0
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401326 135050935 1 ClNO2H14C15 ABC2D14E15 -34.62 2.88 -9.84 -0.4 0
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401327 135050969 1 PN2O2H25C30 AB2C2D25E30 57.47 7.49 -7.67 -0.46 0
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401328 135050970 1 N2O6C17H22 A2B6C17D22 -242.8 2.9 -9.79 -0.27 0
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401329 135050971 1 N2O6C21H22 A2B6C21D22 -201.16 2.99 -9.85 -0.86 0
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401330 135050972 1 NCl2O2H11C15 AB2C2D11E15 -22.35 9.87 -8.53 -1.49 0
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401331 135050973 3 OC7H8 AB7C8 -94.88 1.71 -9.74 -0.64 0
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401332 135050976 1 F3N3O5H12C17 A3B3C5D12E17 -202.76 4.06 -10.02 -2.04 0
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401333 135050978 1 BrN4O4H11C16 AB4C4D11E16 31.36 4.36 -10.08 -1.7 1
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401334 135050979 1 BrN4O4H12C16 AB4C4D12E16 37.62 5.04 0.0 0.0 1
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401335 135050981 1 N4O5H15C17 A4B5C15D17 -7.58 4.52 0.0 0.0 0
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401336 135050985 1 N2O5H14C16 A2B5C14D16 -73.6 4.03 -10.31 -1.68 0
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401337 135050986 1 NOF3H12C17 ABC3D12E17 -103.49 4.93 -9.53 -0.6 0
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401338 135050988 1 NSO2H7C9 ABC2D7E9 -14.38 3.01 -8.59 -1.1 0
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401339 135050989 1 SN3O9C18H27 AB3C9D18E27 -381.14 6.83 -8.34 -0.42 0
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401340 135050994 1 SN4C10H18 AB4C10D18 20.07 5.8 -8.39 -0.2 0
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401341 135050997 2 ON3C6H8 AB3C6D8 22.06 3.31 -10.73 -1.02 0
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401342 135050999 1 NOSnCl5C18H18 ABCD5E18F18 -100.65 13.22 -9.85 -1.79 1
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401343 135051000 1 NOC18H18 ABC18D18 49.68 2.58 0.0 0.0 0
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401344 135051003 1 LiNOC6H8 ABCD6E8 -23.67 7.65 -8.18 1.29 0
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401345 135051020 2 SN2O2H11C14 AB2C2D11E14 129.81 0.4 -9.17 -2.6 0
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401346 135051021 1 NO2S2H5C7 AB2C2D5E7 18.8 4.55 -8.76 -1.07 0
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401347 135051029 1 NSO5C17H17 ABC5D17E17 -137.62 6.71 -9.64 -1.24 1
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401348 135051031 1 PSN2O2H24C28 ABC2D2E24F28 23.15 6.32 0.0 0.0 0
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401349 135051032 1 NS2O4H9C10 AB2C4D9E10 -29.92 4.12 -8.91 -1.86 0
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401350 135051034 1 NO2S2H7C8 AB2C2D7E8 9.18 3.14 -8.48 -1.11 0
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401351 135051035 1 ClNSH6C8 ABCD6E8 82.18 2.39 -8.81 -0.85 0
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401352 135051036 1 O5C19H30 A5B19C30 -212.23 1.04 -10.03 0.3 0
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401353 135051037 1 CrNSiO3H25C27 ABCD3E25F27 68.97 5.13 -7.07 -0.07 0
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401354 135051040 2 NH10C11 AB10C11 114.82 3.34 -9.33 -0.09 0
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401355 135051041 1 NSiO2C17H29 ABC2D17E29 -120.8 1.05 -8.26 0.42 0
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401356 135051042 1 ClNC16H16 ABC16D16 53.67 1.73 -8.48 0.06 0
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401357 135051043 1 NSO4C21H21 ABC4D21E21 -86.39 4.32 -8.83 -0.98 0
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401358 135051044 1 NO3C12H15 AB3C12D15 -83.03 4.09 -9.43 -0.53 0
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401359 135051045 1 NSO5C17H19 ABC5D17E19 -172.2 6.94 -9.45 -0.98 0
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401360 135051046 2 NO2C10H17 AB2C10D17 -197.06 4.77 -8.5 0.75 0
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401361 135051048 1 NOSiC34H47 ABCD34E47 -69.59 1.93 -8.19 0.13 0
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401362 135051049 1 BClNSF4H13C15 ABCDE4F13G15 -296.45 11.24 -9.77 -2.52 1
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401363 135051050 1 ClNSH13C15 ABCD13E15 40.39 2.95 0.0 0.0 0
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401364 135051053 1 ON2H18C28 AB2C18D28 131.82 7.63 -9.69 -1.38 0
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401365 135051055 1 BrNSiO2C23H32 ABCD2E23F32 -92.53 2.92 -8.41 -0.22 0
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401366 135051056 1 NO4H17C19 AB4C17D19 -99.6 2.19 -8.83 -1.18 0
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401367 135051065 1 NOPCl3H15C21 ABCD3E15F21 20.15 3.49 -9.41 -0.56 -1
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401368 135051070 1 BNC21H31 ABC21D31 8.39 6.8 0.0 0.0 -1
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401369 135051071 1 BNC22H31 ABC22D31 9.03 6.69 0.0 0.0 0
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401370 135051072 1 BrClHgNSO2H9C14 ABCDEF2G9H14 111.44 17.64 -7.27 -2.91 0
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401371 135051073 1 N2O3H20C24 A2B3C20D24 -26.51 3.01 -8.39 -1.24 0
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401372 135051086 1 NSO5C13H15 ABC5D13E15 -177.27 4.04 -8.7 -0.46 0
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401373 135051087 1 SO2C5N5H11 AB2C5D5E11 4.57 6.33 -9.18 -1.12 0
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401374 135051088 1 ClNSH12C15 ABCD12E15 107.78 2.84 -8.54 -0.85 0
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401375 135051090 1 N2O5C14H14 A2B5C14D14 -76.97 4.46 -9.8 -1.4 0
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401376 135051091 1 ClNO2C19H20 ABC2D19E20 -36.39 1.47 -8.7 -0.14 0
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401377 135051094 1 NSiO2C34H47 ABC2D34E47 -99.88 2.07 -8.35 0.23 0
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401378 135051095 1 NNaO2S2C6H6 ABC2D2E6F6 -85.27 8.02 -8.24 -0.34 0
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401379 135051096 2 CHKOSN2 ABCDEF2 -87.68 6.72 -7.52 -0.16 0
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401380 135051104 1 NSO7C21H29 ABC7D21E29 -257.94 3.71 -9.03 -0.89 1
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401381 135051105 1 OSN3C15H18 ABC3D15E18 29.75 4.42 0.0 0.0 0
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401382 135051106 1 BrNC17H20 ABC17D20 35.99 12.51 -7.84 -0.67 0
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401383 135051108 1 PRuN2O2F6H11C13 ABC2D2E6F11G13 -150.15 14.55 -6.82 -2.94 0
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401384 135051119 1 NSO2H13C15 ABC2D13E15 -16.1 6.57 -9.15 -1.04 0
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401385 135051120 2 ClNOSC9H9 ABCDE9F9 -74.2 8.28 -8.67 -1.3 1
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401386 135051121 1 NOSC10H12 ABCD10E12 -20.37 3.67 0.0 0.0 0
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401387 135051122 1 SN4H14C15 AB4C14D15 112.94 5.99 -9.13 -0.93 0
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401388 135051125 1 NSiO2C23H33 ABC2D23E33 -97.98 1.34 -8.28 0.25 0
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401389 135051126 1 NSiO2C19H31 ABC2D19E31 -103.45 1.22 -8.28 0.39 0
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401390 135051130 1 NO3C13H13 AB3C13D13 -62.53 5.4 -8.57 -0.38 0
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401391 135051137 1 PRuN2O2F6H11C13 ABC2D2E6F11G13 -216.11 27.85 -9.85 -4.35 0
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401392 135051139 1 ClNF3O3H9C11 ABC3D3E9F11 -258.83 7.15 -9.57 -1.3 0
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401393 135051144 1 ClNO4C15H18 ABC4D15E18 -149.06 4.0 -8.86 -0.47 0
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401394 135051146 1 NSO5C16H19 ABC5D16E19 -153.58 4.36 -8.91 -0.9 0
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401395 135051151 2 NOSC9H14 ABCD9E14 -43.95 2.52 -8.72 -0.58 0
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401396 135051156 2 NH10C11 AB10C11 108.42 2.97 -9.34 -0.03 0
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401397 135051162 1 NOSH13C15 ABCD13E15 49.26 2.65 -8.96 -0.62 0
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401398 135051167 1 NK2O4H7C12 AB2C4D7E12 -229.41 10.87 -8.08 -0.5 0
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401399 135051173 1 SN2O3C15H20 AB2C3D15E20 -54.55 6.49 -8.84 -0.96 0
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401400 135051175 1 SO2N4C11H18 AB2C4D11E18 -24.73 4.56 -8.54 -0.93 0
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401401 135051176 2 NSO2C10H12 ABC2D10E12 -125.31 7.8 -8.71 -1.77 0
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401402 135051177 1 NPCl4O4H20C27 ABC4D4E20F27 81.78 11.95 -10.06 -2.5 0
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401403 135051180 1 NO4C15H23 AB4C15D23 -204.9 4.54 -8.43 0.86 0
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401404 135051181 1 ClNO3H12C14 ABC3D12E14 15.64 2.62 -10.06 -1.46 0
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401405 135051183 1 NSiO5C17H29 ABC5D17E29 -245.46 3.38 -9.56 -0.02 0
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401406 135051184 1 NOC18H19 ABC18D19 3.54 1.47 -8.66 -0.07 0
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401407 135051186 1 SN2O4C10H12 AB2C4D10E12 -68.1 7.54 -9.9 -1.34 1
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401408 135051188 1 N3H8C9 A3B8C9 97.93 3.64 0.0 0.0 0
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401409 135051189 1 NO2H15C16 AB2C15D16 -5.53 4.17 -8.08 -0.31 0
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401410 135051195 1 NC23H25 AB23C25 47.14 1.66 -8.04 -0.32 0
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401411 135051196 1 BrSO2N3C8H10 ABC2D3E8F10 11.99 13.61 -8.31 -0.86 0