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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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228295 87563841 1 N5O16C57H105 A5B16C57D105 -892.89 8.62 -9.86 -0.23 0
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228296 87563842 1 SN3O4C10H11 AB3C4D10E11 -109.14 6.03 -8.74 -1.71 0
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228297 87563843 1 SN2O3H6C8 AB2C3D6E8 -59.55 3.57 -8.8 -0.65 0
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228298 87563855 1 BrSN3O3H12C15 ABC3D3E12F15 -54.43 4.07 -9.1 -1.4 0
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228299 87563856 1 BrClOSN3H13C14 ABCDE3F13G14 -11.78 10.99 -8.46 -0.99 0
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228300 87563860 1 OSiC4H9 ABC4D9 -33.28 2.64 0.0 0.0 0
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228301 87563863 1 O3C20H34 A3B20C34 -122.43 5.31 -10.06 0.59 0
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228302 87563864 1 O3C20H34 A3B20C34 -136.47 5.26 -10.02 0.69 0
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228303 87563868 1 S2N3O4C12H15 A2B3C4D12E15 -87.7 2.46 -9.06 -0.83 0
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228304 87563870 1 F3N3O3H12C14 A3B3C3D12E14 -141.4 6.99 -8.68 -1.37 0
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228305 87563874 1 SSiO3C11H23 ABC3D11E23 -225.05 2.79 0.0 0.0 0
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228306 87563875 1 O2N3H15C22 A2B3C15D22 104.17 5.25 -8.5 -1.03 0
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228307 87563883 1 Cl2N2O2C11H12 A2B2C2D11E12 -18.59 4.27 -9.08 -1.74 1
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228308 87563885 1 ClSO2N4C19H28 ABC2D4E19F28 -29.65 3.15 0.0 0.0 0
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228309 87563886 2 N2O2C11H12 A2B2C11D12 -53.94 4.71 -8.19 -0.94 0
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228310 87563887 1 OCl2N3C14H15 AB2C3D14E15 -0.13 6.65 -8.74 -0.66 0
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228311 87563896 1 NOPCl4C9H12 ABCD4E9F12 -125.96 3.24 -10.24 -1.35 0
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228312 87563901 1 N5O5C30H33 A5B5C30D33 -74.24 4.18 -9.06 -1.27 1
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228313 87563905 1 ClFSN5O8C35H42 ABCD5E8F35G42 -268.97 12.69 0.0 0.0 0
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228314 87563906 1 O3N4H18C20 A3B4C18D20 25.32 6.95 -8.78 -0.93 0
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228315 87563907 1 O2N3C8H17 A2B3C8D17 -107.03 4.6 -9.25 0.54 0
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228316 87563910 1 O2N3C8H17 A2B3C8D17 -92.75 5.24 -9.63 0.81 0
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228317 87563911 1 O5H14C15 A5B14C15 -145.64 4.01 -8.85 -0.38 0
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228318 87563912 1 BrNO3C6H12 ABC3D6E12 -115.59 1.8 -10.2 -0.82 0
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228319 87563920 1 LiN2O4C23H31 AB2C4D23E31 -141.17 7.22 -8.7 -0.03 0
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228320 87563924 1 OCl3F3N6C23H28 AB3C3D6E23F28 -208.56 5.8 -9.38 -1.01 0
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228321 87563925 1 OCl3F3N6C23H28 AB3C3D6E23F28 -198.46 4.88 -9.25 -1.04 0
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228322 87563940 1 ClN2S2O3H7C11 AB2C2D3E7F11 25.43 8.39 -9.06 -1.52 1
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228323 87563944 1 N3O3C7H12 A3B3C7D12 -79.83 6.66 0.0 0.0 0
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228324 87563947 1 Cl2H10C15 A2B10C15 70.11 1.67 -9.47 -0.35 0
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228325 87563948 1 ClO3H13C18 AB3C13D18 -55.07 3.17 -8.79 -0.78 0
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228326 87563954 1 N2C4O5H8 A2B4C5D8 -177.25 5.15 -11.07 -0.32 0
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228327 87563955 1 AsFH2N2C3 ABC2D2E3 128.06 2.59 -8.3 -1.03 0
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228328 87563958 1 Br2O3N4C23H32 A2B3C4D23E32 -97.82 9.43 -8.21 -0.55 0
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228329 87563963 1 SO2C6H16 AB2C6D16 -109.7 1.01 -9.54 0.37 0
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228331 87563973 1 OSiC9H11 ABC9D11 8.12 3.81 0.0 0.0 0
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228332 87563975 1 O3C30H50 A3B30C50 -207.84 3.64 -9.67 0.58 0
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228333 87563978 1 OSN4H12C19 ABC4D12E19 102.43 3.37 -8.77 -1.31 0
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228334 87563990 1 BrSSiO4C17H27 ABCD4E17F27 -153.95 5.3 -7.95 -0.37 0
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228335 87563992 1 NOC2H3F4 ABC2D3E4 -258.92 2.25 -11.33 0.29 0
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228336 87563997 1 ClNSF3O6H13C14 ABCD3E6F13G14 -367.71 8.65 -10.12 -1.33 0
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228337 87564003 1 BrN2O2H19C20 AB2C2D19E20 -40.66 1.95 -9.1 -0.88 0
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228338 87564004 1 N2O3C10H20 A2B3C10D20 -169.3 3.54 -10.29 0.63 1
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228339 87564005 1 Cl2O2F3N3C25H29 A2B2C3D3E25F29 -181.9 4.47 0.0 0.0 0
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228340 87564008 1 ClNS2O3H8C12 ABC2D3E8F12 2.82 7.79 -8.71 -1.09 0
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228341 87564014 1 NO3H15C22 AB3C15D22 24.65 4.85 -9.11 -1.23 0
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228342 87564015 1 ClMgNC3H10 ABCD3E10 -62.42 2.33 -9.11 -0.2 1
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228343 87564025 1 NH8C10 AB8C10 96.74 1.36 0.0 0.0 1
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228344 87564028 1 Cl2O2F3N3C26H31 A2B2C3D3E26F31 -180.22 9.2 0.0 0.0 0
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228345 87564030 1 ClION2H12C13 ABCD2E12F13 1.86 3.03 -9.46 -1.6 0
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228346 87564031 1 O2N7C21H23 A2B7C21D23 101.28 7.81 -8.29 -0.9 0
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228347 87564041 1 O2N4H14C17 A2B4C14D17 125.87 2.87 -9.18 -1.11 0
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228348 87564045 1 NOH17C19 ABC17D19 57.48 2.01 -8.68 -0.09 0
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228349 87564047 1 ClNSO2H18C20 ABCD2E18F20 -17.77 1.64 -8.72 -1.08 0
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228350 87564049 1 N2O3H14C17 A2B3C14D17 -24.78 1.59 -9.0 -1.04 0
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228351 87564052 1 N2O2H20C21 A2B2C20D21 19.61 3.65 -8.19 -0.88 0
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228352 87564057 1 S2N3O4C22H27 A2B3C4D22E27 -122.02 4.45 -9.02 -0.86 0
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228353 87564065 1 NO2C10H21 AB2C10D21 -136.35 5.46 -10.24 0.8 0
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228354 87564067 1 FO2S2N6H13C20 AB2C2D6E13F20 58.56 7.95 -9.04 -1.44 0
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228355 87564070 1 OS2N6C19H20 AB2C6D19E20 88.28 8.76 -8.65 -1.09 0
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228356 87564072 1 SN3O6C9H17 AB3C6D9E17 -244.75 3.9 -9.64 -0.51 0
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228357 87564073 1 N2O3H18C19 A2B3C18D19 -29.75 2.61 -8.88 -1.2 0
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228358 87564074 1 F2O3H16C20 A2B3C16D20 -136.9 3.12 -8.78 -0.93 0
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228359 87564076 1 N2O3H18C23 A2B3C18D23 -1.31 2.97 -9.11 -1.1 0
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228360 87564079 1 O2N3C19H19 A2B3C19D19 0.28 3.93 -8.4 -0.92 0
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228361 87564080 1 SN3O4C23H27 AB3C4D23E27 -136.62 4.44 -9.05 -1.01 0
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228362 87564082 1 FO2S2N8C22H25 AB2C2D8E22F25 17.56 3.16 -8.58 -1.11 0
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228363 87564086 1 NO2C4H11 AB2C4D11 -73.61 2.02 -10.14 1.38 0
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228364 87564087 1 O3N6C40H40 A3B6C40D40 18.31 9.65 -9.45 -1.5 0
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228365 87564091 1 NPC6O6H16 ABC6D6E16 -356.88 2.66 -9.9 0.22 0
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228366 87564094 1 NSO2C21H21 ABC2D21E21 -19.08 3.56 -8.39 -0.97 0
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228367 87564096 1 OCl2N3C13H13 AB2C3D13E13 10.4 1.84 -9.22 -0.92 -1
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228368 87564102 1 NOZnC2H6 ABCD2E6 -160.64 8.1 0.0 0.0 0
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228369 87564104 1 SO3N5C25H29 AB3C5D25E29 -90.94 4.08 -8.67 -1.08 0
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228370 87564112 1 BrNO3C24H26 ABC3D24E26 -41.69 5.1 -9.5 -0.29 0