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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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2985 9004 1 NO4C21H30 AB4C21D30 -118.71 5.99 0.0 0.0 1
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2986 9006 1 SiCl2C7H8 AB2C7D8 -72.33 2.18 -9.68 -0.37 0
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2987 9007 1 O2C7H8 A2B7C8 -64.29 0.67 -8.92 0.25 0
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2988 9008 1 N2Na3O8C10H13 A2B3C8D10E13 -500.76 4.11 -9.1 0.46 0
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2989 9009 1 BO3C6H15 AB3C6D15 -233.46 3.62 -10.33 1.35 0
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2990 9010 1 BiNa3S3C6H6O6 AB3C3D6E6F6 -839.33 3.75 -7.98 -1.39 0
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2991 9013 1 N2O2C9H12 A2B2C9D12 -67.02 4.73 -8.32 0.12 0
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2992 9018 1 OC20H40 AB20C40 -122.78 2.78 -9.47 1.15 0
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2993 9019 1 ZnO2S4C10H18 AB2C4D10E18 10.54 19.05 -7.57 -3.04 0
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2994 9020 2 NaC2H2O2 AB2C2D2 -283.51 2.81 -9.29 0.84 0
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2995 9021 1 BrNC8H20 ABC8D20 -32.96 12.28 -7.86 -0.02 0
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2996 9022 1 NC8H20 AB8C20 0.5 0.08 0.0 0.0 1
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2997 9023 1 NOC4H9 ABC4D9 -18.42 1.31 -10.02 0.76 0
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2998 9024 2 OC6H8 AB6C8 -94.93 2.12 -9.32 0.4 0
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2999 9025 2 OC4H5 AB4C5 -60.01 1.6 -8.74 0.39 0
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3000 9026 1 O3C22H42 A3B22C42 -212.41 2.38 -9.54 0.86 0
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3001 9027 1 OC10H22 AB10C22 -102.25 1.91 -10.28 2.94 0
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3002 9028 1 NaSO4C12H25 ABC4D12E25 -268.24 7.67 -10.2 0.27 0
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3003 9029 2 O2C12H23 A2B12C23 -279.52 1.11 -10.61 0.74 0
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3004 9031 1 HgOC3H7 ABC3D7 -14.94 3.23 0.0 0.0 0
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3005 9032 1 CKN ABC 32.72 10.9 -7.6 0.37 0
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3006 9035 1 PSN3C10H20 ABC3D10E20 -20.2 3.9 -8.86 0.78 0
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3007 9036 1 NOC19H25 ABC19D25 -25.88 1.07 -8.58 0.24 0
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3008 9037 1 P2O3N4C8H24 A2B3C4D8E24 -256.01 6.18 -9.06 0.67 0
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3009 9038 1 PSC3O3H9 ABC3D3E9 -204.09 3.83 -9.54 0.27 0
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3010 9039 1 PSC3O3H9 ABC3D3E9 -198.08 2.55 -9.69 -0.26 0
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3011 9041 2 N2O2C15H24 A2B2C15D24 -60.37 17.19 -5.84 -1.1 2
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3012 9042 2 OCl2N2C15H23 AB2C2D15E23 -69.89 17.87 -7.61 -1.93 0
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3014 9045 2 ON2C14H22 AB2C14D22 32.37 8.77 -5.6 -0.21 2
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3015 9048 1 Cl2N5C11H15 A2B5C11D15 1.59 6.59 -9.59 -0.85 0
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3016 9049 1 ClN5C11H14 AB5C11D14 42.85 2.03 -9.0 -0.61 0
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3017 9050 1 O4C21H30 A4B21C30 -198.03 2.48 -9.89 -0.13 0
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3018 9052 1 NO6H15C19 AB6C15D19 -113.01 7.69 -9.92 -1.17 0
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3019 9053 1 FO4C22H29 AB4C22D29 -219.95 7.43 -9.87 -0.51 0
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3020 9054 2 OC10H15 AB10C15 -75.26 4.66 -8.65 -0.2 0
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3021 9055 1 O16C27H30 A16B27C30 -619.42 3.01 -9.22 -1.96 0
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3022 9056 2 H10C11 A10B11 38.75 1.3 -8.27 -0.37 0
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3023 9057 2 H8C11 A8B11 66.84 0.88 -8.47 -0.56 0
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3024 9058 2 H9C11 A9B11 53.68 1.09 -8.21 -0.8 0
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3025 9060 1 N2O2C11H12 A2B2C11D12 -53.76 3.66 -8.65 -0.2 0
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3026 9061 1 NO2C10H11 AB2C10D11 -58.95 3.79 -8.42 -0.3 0
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3027 9064 1 O6H14C15 A6B14C15 -219.15 2.55 -8.88 -0.19 0
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3028 9065 1 ClNOC9H14 ABCD9E14 -70.63 4.0 -9.68 -0.33 0
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3029 9066 1 ClN3C16H22 AB3C16D22 14.73 5.52 -8.58 -0.04 0
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3030 9067 1 NaN2H3O4C5 AB2C3D4E5 -200.33 12.16 -9.63 -0.51 0
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3031 9068 1 ClSP2N4O7C12H19 ABC2D4E7F12G19 -409.03 7.62 -8.52 -0.47 0
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3032 9070 2 NC5H8 AB5C8 15.94 0.72 -8.58 0.51 0
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3034 9072 1 BrNO4C18H24 ABC4D18E24 -117.98 10.95 -8.1 -0.51 0
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3035 9073 1 NO4C18H24 AB4C18D24 -101.52 3.95 0.0 0.0 1
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3036 9074 1 ON2H10C12 AB2C10D12 69.97 5.64 -8.65 -1.11 0