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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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449084 135295906 1 ClPO5N7C17H27 ABC5D7E17F27 -231.76 8.4 -8.78 -0.11 0
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449085 135295907 1 PO7N10C31H41 AB7C10D31E41 -251.93 1.74 -9.38 -0.88 0
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449086 135295918 1 N2O3H20C22 A2B3C20D22 -36.56 2.09 -9.11 -0.71 0
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449087 135295926 1 NSO2H17C20 ABC2D17E20 6.96 2.6 -9.08 -0.74 0
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449088 135295938 1 ON3C8H15 AB3C8D15 -8.55 2.19 -8.81 0.22 0
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449089 135295947 1 ON3C9H17 AB3C9D17 -39.68 2.87 -9.9 0.32 0
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449090 135295951 1 N3C11H17 A3B11C17 52.13 2.05 -9.77 0.45 0
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449091 135295953 1 NOC10H15 ABC10D15 -23.73 1.58 -9.11 -0.18 0
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449092 135295955 1 N2O2C11H18 A2B2C11D18 -84.25 4.09 -9.62 -0.21 0
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449093 135295958 1 NOC10H15 ABC10D15 -24.21 1.54 -9.15 0.04 0
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449094 135295959 1 NOC11H19 ABC11D19 -52.41 0.92 -9.36 0.47 0
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449095 135295965 2 NC6H11 AB6C11 -8.28 2.76 -8.96 1.01 0
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449096 135295966 1 NC12H15 AB12C15 45.94 2.49 -9.54 0.02 0
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449097 135295970 1 NO2C12H17 AB2C12D17 -73.59 4.82 -9.27 -0.2 0
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449098 135295974 1 ON3C12H19 AB3C12D19 -38.29 3.08 -9.14 -0.43 0
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449099 135295982 1 N2C11H16 A2B11C16 67.6 1.55 -9.23 0.74 0
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449103 135296000 1 OF2N6H20C24 AB2C6D20E24 39.77 4.95 -9.97 -1.1 0
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449104 135296002 1 SN3O4H15C18 AB3C4D15E18 -40.66 2.73 -8.39 -1.22 0
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449105 135296016 1 SN2O6H20C21 AB2C6D20E21 -121.92 5.85 -8.2 -0.78 0
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449107 135296021 1 F2N7H21C24 A2B7C21D24 84.69 8.42 -9.6 -1.04 0
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449108 135296028 1 NSO2C6H13 ABC2D6E13 -96.46 0.23 -8.89 0.46 0
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449114 135296074 1 OF2N6H24C26 AB2C6D24E26 27.37 4.44 -9.53 -1.03 0
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449120 135296141 1 N6C17H26 A6B17C26 79.44 3.91 -9.04 0.46 0
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449121 135296142 1 O2S2N3C7H11 A2B2C3D7E11 -23.67 5.9 -8.65 0.04 2
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449122 135296153 2 ON2C24H41 AB2C24D41 -70.2 22.09 -4.14 -0.64 2