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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
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233080 87692391 1 ON2F3H11C16 AB2C3D11E16 -111.03 1.74 -9.81 -0.94 0
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233081 87692392 1 SF3O3N5H20C24 AB3C3D5E20F24 -136.72 5.38 -9.19 -1.43 0
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233082 87692393 1 SF9O12N21C69H88 AB9C12D21E69F88 -618.08 19.06 -8.76 -1.37 0
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233083 87692394 1 ON2C8H12 AB2C8D12 3.86 1.79 -10.85 -1.42 1
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233084 87692395 1 BrON2C8H22 ABC2D8E22 -27.54 11.72 0.0 0.0 0
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233085 87692396 1 O2N3F6C43H63 A2B3C6D43E63 -453.93 8.31 -8.4 -0.82 0
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233086 87692397 1 O2N3F6C43H63 A2B3C6D43E63 -452.86 2.52 -8.44 -0.79 0
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233087 87692398 1 OF6N8C25H26 AB6C8D25E26 -241.48 3.87 -8.83 -1.04 0
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233088 87692399 1 N5Cl6O11H51C52 A5B6C11D51E52 -412.87 15.46 -8.48 -1.44 0
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233089 87692400 1 N4Cl7H9C13 A4B7C9D13 28.12 6.14 -9.27 -1.8 0
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233090 87692401 1 N4Cl7H9C13 A4B7C9D13 63.04 4.28 -9.37 -1.99 0
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233091 87692402 1 NO3C14H17 AB3C14D17 -9.29 3.18 -7.9 -0.52 0
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233093 87692404 1 ON2C5H6 AB2C5D6 18.05 1.64 -10.89 -1.44 0
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233094 87692405 1 ON2C5H8 AB2C5D8 -13.78 3.19 -9.57 0.05 0
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233095 87692406 1 N2S4C9H10 A2B4C9D10 72.21 3.06 -8.98 -1.01 0
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233096 87692407 1 N2S4C9H10 A2B4C9D10 73.72 7.27 -8.76 -1.05 0
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233097 87692408 1 N2O2H8C9 A2B2C8D9 -9.09 2.64 -8.8 -0.91 0
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233098 87692409 1 BrON4C16H25 ABC4D16E25 -41.74 8.87 -8.59 -1.59 0
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233099 87692410 1 O2C39H50 A2B39C50 -84.44 1.09 -8.36 0.23 0
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233100 87692411 2 ISH2C3O3 ABC2D3E3 -173.22 3.07 -10.15 -2.19 -1
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233101 87692412 1 OZrH3C4 ABC3D4 132.62 7.64 0.0 0.0 0
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233102 87692413 1 AsClOF5N5C18H18 ABCD5E5F18G18 -131.39 5.65 -8.85 -1.34 0
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233103 87692414 1 SnCl2N2F4H28C36 AB2C2D4E28F36 -17.2 2.63 -8.72 -0.31 0
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233104 87692415 1 ClOSN6C22H35 ABCD6E22F35 -52.97 4.24 -8.33 -0.48 0
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233105 87692416 1 OSN6C22H34 ABC6D22E34 -22.34 3.66 -8.41 -0.44 0
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233106 87692417 1 FN2O2H17C20 AB2C2D17E20 7.76 5.34 -8.6 -1.04 0
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233107 87692418 1 O3F5H7C10 A3B5C7D10 -352.9 5.01 -10.31 -1.08 0
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233108 87692419 1 O3F5H7C10 A3B5C7D10 -353.86 4.85 -10.28 -1.14 0
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233109 87692420 1 NSO3C11H21 ABC3D11E21 -140.3 3.7 -8.35 0.33 0
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233110 87692421 1 ClSN2O8C19H29 ABC2D8E19F29 -376.69 3.68 -9.78 -0.26 0
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233111 87692422 1 AsFNSO5C26H33 ABCDE5F26G33 -132.27 3.98 -7.81 -0.1 0
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233112 87692423 1 N3O3C22H27 A3B3C22D27 -26.16 1.23 -8.83 -0.59 0
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233113 87692424 1 NSO3C10H19 ABC3D10E19 -130.6 4.11 -8.36 0.44 0
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233114 87692425 1 O2N4H24C25 A2B4C24D25 41.89 6.46 -8.36 -0.73 0
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233115 87692426 1 O2N4H24C25 A2B4C24D25 49.28 6.59 -8.3 -0.76 0
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233116 87692427 1 O2N4H24C25 A2B4C24D25 50.25 4.33 -8.31 -0.66 0
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233117 87692428 1 N6O9C41H60 A6B9C41D60 -273.59 7.8 -8.29 -1.58 0
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233118 87692429 1 N6O9C41H60 A6B9C41D60 -271.13 6.72 -8.49 -1.49 0
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233119 87692430 1 ClO3N5H20C22 AB3C5D20E22 16.5 10.7 -9.49 -1.16 0
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233120 87692431 1 N3O5C20H21 A3B5C20D21 -49.5 2.76 -8.39 -0.69 0
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233121 87692432 1 N3O6C20H21 A3B6C20D21 -63.09 2.14 -8.57 -1.1 1
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233122 87692433 1 O3S3N4C9H11 A3B3C4D9E11 16.8 7.53 0.0 0.0 0
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233123 87692434 1 ISCl3O4N6H20C26 ABC3D4E6F20G26 -31.84 8.51 -8.73 -1.81 0
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233124 87692435 1 N3O5H19C21 A3B5C19D21 -94.15 6.83 -8.59 -1.95 0
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233125 87692436 1 ClO2N3C14H18 AB2C3D14E18 -52.76 4.18 -8.83 -0.47 0
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233126 87692437 1 AsClF5N5O5C22H24 ABC5D5E5F22G24 -327.0 9.37 -9.12 -1.54 0
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233127 87692438 1 N2F3O4H23C26 A2B3C4D23E26 -243.1 7.68 -9.17 -0.88 0
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233128 87692439 2 O2C4H5 A2B4C5 -81.7 4.65 -9.24 -0.5 0
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233129 87692440 1 NO8C18H31 AB8C18D31 -348.36 5.43 -10.96 -0.82 0
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233130 87692494 1 N7O18C55H59 A7B18C55D59 -494.64 8.86 -9.05 -2.79 0