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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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233055 87692032 2 OC4H8 AB4C8 -110.61 1.1 -8.98 1.35 0
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233056 87692159 2 SCl3H6C12 AB3C6D12 67.86 0.93 -9.29 -1.83 0
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233057 87692259 1 S2O3N4C31H48 A2B3C4D31E48 -157.92 4.26 -8.71 -0.38 0
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233058 87692298 1 NO4C14H19 AB4C14D19 -122.19 8.7 -9.9 -0.72 0
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233059 87692318 1 ClO3N4C15H19 AB3C4D15E19 -88.05 3.61 -9.5 -1.2 -2
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233060 87692330 1 SiTiCl2C16H24 ABC2D16E24 61.03 6.43 -7.14 -2.11 0
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233061 87692359 1 ClF5N6O6C22H26 AB5C6D6E22F26 -444.38 9.02 -9.4 -1.69 0
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233062 87692373 1 PtN2O4C8H12 AB2C4D8E12 -9.32 4.38 -9.73 -1.67 0
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233063 87692374 2 NO2C4H6 AB2C4D6 -84.37 5.09 -10.39 -1.46 0
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233064 87692375 1 SrO3H4C7 AB3C4D7 -97.3 14.95 -8.25 -1.86 0
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233065 87692376 1 NaN3S3O12H28C31 AB3C3D12E28F31 -424.49 6.49 -8.22 -1.34 0
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233066 87692377 1 N3S3O12H29C31 A3B3C12D29E31 -353.09 4.59 -8.29 -1.53 0
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233067 87692378 1 BrON2H13C17 ABC2D13E17 48.86 5.74 -9.29 -1.19 0
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233068 87692379 1 NaN3S3O12C31H31 AB3C3D12E31F31 -411.86 35.7 0.0 0.0 0
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233069 87692380 1 N3S3O12C31H31 A3B3C12D31E31 -355.12 6.58 -8.37 -1.43 0
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233070 87692381 1 NaN3S3O12H28C31 AB3C3D12E28F31 -401.92 16.37 -8.05 -1.42 0
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233071 87692382 1 N3S3O12H29C31 A3B3C12D29E31 -334.8 8.84 -8.28 -1.52 0
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233072 87692383 1 FSCl2N3O3C22H22 ABC2D3E3F22G22 -141.04 1.83 -9.23 -1.1 0
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233073 87692384 1 ClFSN3O3H21C22 ABCD3E3F21G22 -102.62 3.1 -9.02 -0.98 0
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233074 87692385 1 NF3O3C6H10 AB3C3D6E10 -312.63 5.02 -11.11 0.01 0
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233075 87692386 1 NF3O3C6H10 AB3C3D6E10 -317.54 0.71 -10.8 0.45 0
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233076 87692387 1 SSiC3O3H6 ABC3D3E6 -63.03 7.14 -8.5 -1.95 0
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233077 87692388 1 SSiC3O3H5 ABC3D3E5 -57.93 2.44 0.0 0.0 0
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233078 87692389 1 SSiC3O3H5 ABC3D3E5 -39.32 6.37 0.0 0.0 0
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233079 87692390 1 ON2C10H10 AB2C10D10 21.13 3.68 -9.58 -0.49 0