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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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135737 51923669 1 O3N5C18H19 A3B5C18D19 5.55 10.55 -8.63 -1.1 0
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135738 51924336 1 F2N3O4C16H19 A2B3C4D16E19 -185.59 3.16 -9.11 -0.95 0
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135739 51924379 1 N3O6C18H23 A3B6C18D23 -221.07 5.01 -9.02 -0.34 0
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135740 51924903 1 ClO2N5C19H20 AB2C5D19E20 35.57 4.32 -9.21 -0.58 0
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135741 51924904 1 NSO6C22H27 ABC6D22E27 -196.34 8.02 -8.87 -0.28 0
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135742 51924905 1 NSO6C22H27 ABC6D22E27 -197.88 7.65 -8.83 -0.2 1
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135743 51926130 1 ClOSN3C15H19 ABCD3E15F19 40.88 13.09 0.0 0.0 0
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135744 51926131 1 ClOSN3C15H18 ABCD3E15F18 32.49 2.4 -8.67 -1.08 1
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135745 51926132 1 ClOSN3C15H19 ABCD3E15F19 37.22 18.35 0.0 0.0 0
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135746 51926177 1 NO2C18H25 AB2C18D25 -97.51 6.02 -9.05 -0.24 0
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135747 51926178 1 NO2C18H25 AB2C18D25 -99.17 6.04 -9.05 -0.24 1
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135748 51927206 1 N2O3C22H29 A2B3C22D29 -73.62 3.51 0.0 0.0 0
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135749 51927346 1 ClN2O2C21H23 AB2C2D21E23 -70.81 2.12 -9.23 -0.83 0
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135750 51927777 1 FO2N3C18H20 AB2C3D18E20 -48.56 7.57 -8.8 -0.46 0
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135751 51928038 1 NO6C19H21 AB6C19D21 -198.95 2.77 -8.87 -0.29 0
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135752 51928179 1 ON3C14H17 AB3C14D17 -12.18 6.12 -8.66 -0.69 0
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135753 51928180 1 ClN2O3C12H15 AB2C3D12E15 -113.04 2.72 -8.5 -0.34 0
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135754 51928365 1 SN2O3C17H22 AB2C3D17E22 -93.59 4.72 -8.75 -0.38 0
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135755 51928602 1 ClN2O3C19H21 AB2C3D19E21 -91.94 2.91 -8.8 -0.14 0
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135756 51929326 1 FN3O4C22H22 AB3C4D22E22 -151.4 5.55 -8.82 -0.43 1
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135757 51929327 1 ClOSN5C16H17 ABCD5E16F17 58.48 19.09 0.0 0.0 1
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135758 51929328 1 SO3N5C18H22 AB3C5D18E22 35.41 3.24 0.0 0.0 1
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135759 51929329 1 SN3O4C19H24 AB3C4D19E24 -104.66 5.4 0.0 0.0 1
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135760 51929938 1 N2O3C21H31 A2B3C21D31 -93.65 13.33 0.0 0.0 0
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135761 51930006 1 N2O3S3C16H18 A2B3C3D16E18 -85.01 1.61 -8.95 -0.73 1