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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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414066 135087020 1 N3C20H25 A3B20C25 54.74 0.44 -8.04 0.3 0
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414067 135087021 1 N2O5C20H20 A2B5C20D20 -130.61 2.32 -8.13 -0.85 0
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414068 135087022 1 SN2O6C25H28 AB2C6D25E28 -205.67 5.55 -8.3 -0.49 0
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414069 135087023 1 N3O3C13H13 A3B3C13D13 36.88 9.44 -8.87 -1.31 0
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414070 135087024 2 NOC7H8 ABC7D8 5.37 2.51 -8.35 -0.32 0
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414071 135087025 1 N2O3C17H24 A2B3C17D24 -99.22 1.91 -8.38 -0.14 0
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414072 135087026 1 N2O6C19H22 A2B6C19D22 -225.78 2.92 -8.38 -0.07 0
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414073 135087027 1 SN2O2C18H18 AB2C2D18E18 -23.86 2.24 -8.55 -0.22 0
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414074 135087028 1 BrNOC13H14 ABCD13E14 -8.61 4.83 -8.85 -0.82 0
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414075 135087029 1 NSO2H15C16 ABC2D15E16 15.58 4.73 -8.4 -0.18 0
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414076 135087030 1 NSO3H15C16 ABC3D15E16 -16.94 3.86 -8.33 -0.18 0
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414077 135087031 2 NOC7H9 ABC7D9 -64.57 2.91 -8.3 0.12 0
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414078 135087032 1 N3O4C14H15 A3B4C14D15 -2.56 9.39 -9.0 -1.3 0
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414079 135087033 1 N2O3H12C14 A2B3C12D14 -72.47 7.72 -8.72 -0.67 0
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414080 135087034 1 BrINO2H11C13 ABCD2E11F13 5.04 2.62 -8.37 -1.32 0
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414081 135087035 1 N2O2H20C25 A2B2C20D25 60.22 3.21 -8.31 -0.91 0
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414082 135087036 2 NOH11C13 ABC11D13 50.09 3.75 -8.24 -0.84 0
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414083 135087037 1 N4O7H18C20 A4B7C18D20 -28.3 8.37 -8.7 -1.91 0
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414084 135087038 1 OC20H22 AB20C22 9.28 3.03 -9.07 -0.14 0
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414085 135087039 1 ON5H11C13 AB5C11D13 68.97 5.72 -8.8 -1.07 0
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414086 135087040 1 FN2O2H19C25 AB2C2D19E25 12.21 3.16 -8.38 -1.01 0
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414087 135087041 1 ClN2O2H19C25 AB2C2D19E25 48.45 2.96 -8.62 -1.19 0
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414088 135087042 1 N2O3F5H15C21 A2B3C5D15E21 -244.39 5.48 -8.8 -1.85 0
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414089 135087043 1 ON2H20C25 AB2C20D25 97.49 2.2 -8.44 -0.64 0
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414090 135087044 1 NPO4C8H18 ABC4D8E18 -207.35 4.76 -9.25 0.39 0
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414091 135087045 1 BrOF5C6 ABC5D6 -179.65 0.6 -10.85 -1.76 0
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414092 135087046 1 SiO2C8H14 AB2C8D14 -86.25 3.2 -8.38 0.44 0
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414093 135087047 1 BrN2O2H11C14 AB2C2D11E14 42.2 1.35 -9.91 -1.13 0
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414094 135087048 1 LiSiN2C13H17 ABC2D13E17 4.05 5.05 -7.5 -0.15 0
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414095 135087049 1 OC16H18 AB16C18 12.88 3.18 -9.2 -0.5 0
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414096 135087050 1 BFO2C13H18 ABC2D13E18 -196.48 5.3 -9.4 0.14 0
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414097 135087051 1 ON4C7H8 AB4C7D8 82.5 5.98 -8.72 -1.33 0
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414098 135087052 1 ON2C10H20 AB2C10D20 -46.15 2.65 -10.09 0.84 0
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414099 135087053 1 O3C14H18 A3B14C18 -105.58 2.06 -8.87 0.14 0
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414100 135087054 1 BrN2C12H13 AB2C12D13 46.22 6.49 -9.22 -0.18 0
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414101 135087055 1 O3N4H6C9 A3B4C6D9 81.41 1.93 -10.29 -2.08 0
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414102 135087056 2 SO4H14C15 AB4C14D15 -232.28 6.27 -9.08 -0.53 0
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414103 135087057 1 NO2C13H17 AB2C13D17 -31.02 2.22 -8.91 0.07 0
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414104 135087058 1 O3H8C13 A3B8C13 34.49 2.57 -9.52 -0.18 0
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414105 135087059 1 AgBrH4C8 ABC4D8 133.46 3.92 -8.53 -2.38 0
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414106 135087060 1 SN2O2C14H16 AB2C2D14E16 -24.04 5.17 -9.44 -0.89 0
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414107 135087061 1 NSO2C13H19 ABC2D13E19 -66.42 5.9 -9.68 -0.42 0
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414108 135087062 1 NSO2C16H25 ABC2D16E25 -79.14 6.09 -9.76 -0.42 0
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414109 135087063 1 ClNOF3H9C11 ABCD3E9F11 -181.55 4.59 -9.74 -0.68 0
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414110 135087064 1 O3H18C22 A3B18C22 -41.32 3.46 -9.41 -0.52 0
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414111 135087065 1 SN3O5C24H27 AB3C5D24E27 -167.52 4.66 -8.32 -0.03 0
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414112 135087066 1 NO2C17H19 AB2C17D19 -18.37 2.92 -10.37 -1.4 0
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414113 135087067 1 N2C19H32 A2B19C32 -6.1 5.34 -7.2 0.44 0
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414114 135087068 1 SO3H14C19 AB3C14D19 40.36 3.2 -8.68 -0.38 0
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414115 135087069 1 SiO3C14H24 AB3C14D24 -139.5 3.28 -9.74 0.05 0
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414116 135087070 2 OC7H8 AB7C8 -56.49 2.28 -9.9 -0.68 0
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414117 135087071 1 BO2C20H29 AB2C20D29 -163.74 2.64 -8.87 0.45 0
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414118 135087072 1 NOC18H27 ABC18D27 -54.94 3.63 -9.44 0.07 0
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414119 135087073 1 OC21H36 AB21C36 -66.35 3.47 -9.88 0.0 0
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414120 135087074 1 PF3O4H18C23 AB3C4D18E23 -281.06 4.55 -9.89 -0.99 0
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414121 135087075 1 PO4C17H17 AB4C17D17 -154.52 3.77 -9.79 -0.44 0
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414122 135087077 1 ClON2C15H15 ABC2D15E15 10.34 2.22 -9.42 -0.6 0
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414123 135087078 1 NSO2H15C17 ABC2D15E17 -11.51 2.79 -8.86 -0.64 1
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414124 135087079 1 NOH14C16 ABC14D16 28.12 4.38 0.0 0.0 0
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414125 135087080 1 PO4C19H21 AB4C19D21 -158.38 3.8 -9.7 -0.39 0
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414126 135087081 1 PO3C18H23 AB3C18D23 -166.04 0.93 -8.8 0.25 0
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414127 135087082 1 PO3C18H23 AB3C18D23 -169.99 2.84 -8.97 0.26 0
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414128 135087083 1 BrO4C13H13 AB4C13D13 -124.47 4.17 -9.02 -0.87 0
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414129 135087084 1 NO2C17H17 AB2C17D17 -26.08 3.39 -9.47 -0.2 0
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414130 135087085 1 NOC17H19 ABC17D19 14.12 2.3 -8.52 -0.15 0
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414131 135087086 1 O8C17H20 A8B17C20 -305.46 4.48 -9.2 -0.56 0
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414132 135087087 1 O7C17H20 A7B17C20 -271.57 1.97 -9.46 -0.84 0
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414133 135087088 1 O2C19H20 A2B19C20 42.44 6.04 -9.44 -0.54 0
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414134 135087089 2 OC9H10 AB9C10 16.79 4.34 -9.54 -0.66 0
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414135 135087090 2 OC8H11 AB8C11 -14.6 0.06 -10.3 -0.01 0
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414136 135087091 2 O2C14H15 A2B14C15 -36.97 3.62 -9.31 -0.31 1
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414137 135087092 1 N2F3H8C9 A2B3C8D9 -122.38 5.07 0.0 0.0 0
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414138 135087093 1 N2F3H7C9 A2B3C7D9 -117.09 7.04 -9.02 -0.66 0
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414139 135087094 1 NOH11C12 ABC11D12 24.72 6.59 -8.62 -0.62 0
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414140 135087095 1 SSiN3O4C31H39 ABC3D4E31F39 -135.9 7.97 -7.97 -0.57 0
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414141 135087096 1 IN2O2C14H15 AB2C2D14E15 -8.1 4.13 -8.95 -1.46 0
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414142 135087097 1 N2O2H12C13 A2B2C12D13 35.15 7.41 -8.01 -1.09 0
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414143 135087098 1 NO2H15C18 AB2C15D18 -20.13 1.58 -8.94 -0.68 0
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414144 135087099 1 FSO2N3H14C16 ABC2D3E14F16 -18.24 9.21 -8.76 -1.09 0
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414145 135087100 1 ClFSN2O2H14C18 ABCD2E2F14G18 -57.65 8.95 -9.49 -0.84 0
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414146 135087101 1 ClSN2O2H19C20 ABC2D2E19F20 -27.95 10.23 -9.2 -0.68 0
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414147 135087102 1 NO3C22H27 AB3C22D27 -85.63 1.45 -8.73 -1.01 0
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414148 135087103 1 ON2C20H22 AB2C20D22 5.17 2.83 -8.57 -0.37 0
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414149 135087104 1 NSO2H15C16 ABC2D15E16 14.16 5.85 -8.42 -0.19 0
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414150 135087105 1 NSO3H15C16 ABC3D15E16 -16.11 4.86 -8.38 -0.17 1
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414151 135087106 1 N4H9C11 A4B9C11 130.15 2.22 0.0 0.0 0
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414152 135087107 1 ClN2O3H25C29 AB2C3D25E29 -32.98 2.79 -8.84 -0.4 0
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414153 135087108 1 O2N3C24H29 A2B3C24D29 -56.51 3.94 -8.09 0.06 0
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414154 135087109 1 N2O5C14H14 A2B5C14D14 -55.36 4.1 -8.92 -1.22 0
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414155 135087110 1 BrNO2H6C10 ABC2D6E10 -10.15 6.07 -9.36 -1.06 0
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414156 135087111 1 N2O3C15H18 A2B3C15D18 -30.57 2.32 -8.07 -0.1 0
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414157 135087112 2 NO2C9H13 AB2C9D13 -155.96 6.28 -8.46 0.05 0
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414158 135087113 2 NO2C9H13 AB2C9D13 -151.72 4.75 -8.34 0.18 1
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414159 135087114 1 N4C13H13 A4B13C13 123.06 4.89 0.0 0.0 0
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414160 135087115 1 N2O4F5H21C24 A2B4C5D21E24 -308.5 5.79 -8.75 -1.81 0
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414161 135087116 1 NPO4C7H16 ABC4D7E16 -202.12 2.35 -9.45 0.83 0
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414162 135087117 1 N2O2C21H22 A2B2C21D22 -39.45 1.99 -8.62 -0.7 0
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414163 135087119 1 ClSN2O5H9C13 ABC2D5E9F13 -2.06 4.47 -9.98 -2.15 0
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414164 135087120 1 NOC15H17 ABC15D17 23.5 1.19 -9.23 -0.23 0
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414165 135087121 2 OC6H8 AB6C8 -64.76 3.29 -9.4 0.21 0