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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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84951 49870897 1 O4N7C31H31 A4B7C31D31 -0.28 10.23 -9.36 -0.85 0
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84952 49870900 1 O8C25H30 A8B25C30 -282.7 5.19 -8.37 -1.42 0
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84953 49870908 2 O3N4C21H21 A3B4C21D21 -79.55 2.97 -8.53 -0.64 0
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84954 49870909 1 SN4O4C22H22 AB4C4D22E22 -101.25 2.67 -8.58 -1.24 0
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84955 49870910 1 OSN8C29H30 ABC8D29E30 139.79 6.81 -8.79 -0.79 0
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84956 49870911 1 FO4N7H30C31 AB4C7D30E31 -51.53 8.18 -9.53 -0.76 0
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84957 49870927 1 N5O5C31H47 A5B5C31D47 -222.09 6.92 -8.63 0.2 0
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84958 49870928 2 O2N4C15H15 A2B4C15D15 4.05 3.85 -9.63 -0.83 0
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84959 49870929 1 SO3N6C30H30 AB3C6D30E30 42.05 4.95 -8.51 -1.62 0
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84960 49870932 1 BrOC24H35 ABC24D35 -81.9 1.78 -8.73 0.08 0
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84961 49870939 1 NPO10C17H22 ABC10D17E22 -414.09 6.66 -9.91 -1.57 0
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84962 49870959 1 O8N23C61H79 A8B23C61D79 -183.18 14.65 -8.57 -0.28 0
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84963 49870961 1 ClO2N3C20H20 AB2C3D20E20 -41.97 2.6 -9.05 -1.78 0
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84964 49870969 4 OC5H7 AB5C7 -170.45 7.03 -9.98 -0.5 0
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84965 49871009 2 O2C9H15 A2B9C15 -171.24 4.26 -9.7 0.68 0
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84966 49871010 1 N5O5C36H51 A5B5C36D51 -215.75 8.25 -9.21 -0.2 0
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84967 49871011 1 FO3N5C14H22 AB3C5D14E22 -131.18 3.38 -9.06 -0.63 0
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84968 49871012 1 ClSO3F4N7H24C32 ABC3D4E7F24G32 -150.96 11.77 -9.36 -1.75 1
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84969 49871013 1 N3O3F4H16C22 A3B3C4D16E22 -223.1 7.61 0.0 0.0 0
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84970 49871028 1 FO6N7C36H44 AB6C7D36E44 -234.11 11.45 -8.53 -1.18 0
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84971 49871031 6 O8C17H27 A8B17C27 -2127.58 5.81 -9.72 -0.94 0
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84972 49871034 1 NOC22H35 ABC22D35 -1.9 4.03 -9.1 0.01 0
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84973 49871043 1 ClN3H15C17 AB3C15D17 119.34 5.55 0.0 0.0 0
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84974 49871046 1 O5C20H24 A5B20C24 -187.57 5.55 -9.59 -0.16 0
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84975 49871075 1 BrO3C12H17 AB3C12D17 -118.42 2.14 -8.65 -0.2 0