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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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7010 70976 1 SN5C6H7 AB5C6D7 73.7 4.97 -8.72 -0.8 0
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7011 70977 2 ClF2C3 AB2C3 -170.09 0.38 -10.23 -1.5 0
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7012 70978 2 NF2H2C3 AB2C2D3 -154.67 3.18 -8.89 -0.48 0
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7013 70979 2 NF2H2C3 AB2C2D3 -152.87 2.82 -8.56 -0.69 0
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7014 70980 2 OC5H5 AB5C5 -57.04 5.95 -10.05 -0.29 0
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7015 70981 1 ClNSO2H6C7 ABCD2E6F7 12.42 4.81 -9.14 -1.59 0
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7016 70983 1 NOC10H13 ABC10D13 -16.07 6.12 -8.45 -0.2 0
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7017 70985 1 NO2C9H12 AB2C9D12 -63.65 4.89 0.0 0.0 1
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7018 70988 1 OC11H14 AB11C14 -27.44 4.06 -9.7 -0.58 0
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7019 70991 1 O3C10H12 A3B10C12 -96.87 3.58 -8.57 -0.54 0
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7020 70996 2 H3O3C4 A3B3C4 -78.81 3.65 -10.69 -1.52 0
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7021 70998 1 ClH3O4C9 AB3C4D9 -117.53 3.3 -11.6 -2.59 0
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7022 71000 1 NOCl2C10H13 ABC2D10E13 -45.57 1.33 -8.4 -0.16 0
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7023 71003 1 NSO2H9C10 ABC2D9E10 -29.48 2.81 -9.19 -1.45 0
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7024 71005 1 SN2C11H14 AB2C11D14 49.8 3.86 -8.72 -0.02 0
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7025 71006 2 O2C5H5 A2B5C5 -151.09 0.54 -9.05 -0.22 0
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7026 71008 1 NOC13H15 ABC13D15 -1.66 4.19 -8.99 0.03 0
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7027 71012 1 SH12C14 AB12C14 32.78 2.48 -8.27 -0.47 0
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7028 71016 1 N2O3C10H10 A2B3C10D10 -110.48 3.99 -9.63 -1.0 0
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7029 71019 1 OS2H10C12 AB2C10D12 27.93 5.67 -8.54 -1.16 0
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7030 71020 1 NaSO4C10H11 ABC4D10E11 -172.79 6.06 -9.09 0.18 0
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7031 71021 1 SO4C10H12 AB4C10D12 -135.9 6.16 -9.87 -0.68 0
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7032 71023 1 OSH10C13 ABC10D13 23.73 4.77 -8.8 -0.84 0
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7033 71024 1 NSO2H9C12 ABC2D9E12 -28.96 7.13 -8.98 -0.72 0
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7034 71025 1 SO6H8C9 AB6C8D9 -227.87 10.01 -11.07 -1.7 0
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7035 71028 1 ON2C13H16 AB2C13D16 -7.93 2.77 -8.01 0.1 0
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7036 71029 1 N5H9C11 A5B9C11 103.66 7.43 -9.13 -0.94 0
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7037 71030 2 N2H5C6 A2B5C6 112.74 2.07 -8.49 -0.94 0
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7038 71034 1 O3H10C14 A3B10C14 -57.63 3.97 -8.78 -1.0 0
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7039 71036 2 ClO2C6H6 AB2C6D6 -159.72 6.32 -9.95 -1.13 0
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7040 71038 2 OC8H10 AB8C10 -37.6 1.91 -9.77 0.81 0
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7041 71043 2 O2H7C8 A2B7C8 -92.42 4.53 -9.31 -0.85 0
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7042 71046 1 ON7H11C12 AB7C11D12 55.64 3.48 -8.73 -0.66 0
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7043 71057 2 NSC9H13 ABC9D13 36.91 2.82 -8.74 0.01 0
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7044 71058 1 ON2C20H24 AB2C20D24 -4.68 4.62 -8.68 -0.05 0
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7045 71063 2 NC11H19 AB11C19 -26.4 2.18 -8.64 2.96 0
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7047 71066 1 ClN2O2C20H25 AB2C2D20E25 -39.15 5.09 -8.35 0.13 0
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7048 71068 2 NO2H6C10 AB2C6D10 -57.56 1.1 -9.74 -1.91 0
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7049 71069 1 O7H18C19 A7B18C19 -214.29 3.45 -8.5 -0.95 0
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7050 71070 2 ON2C3H7 AB2C3D7 -81.97 7.43 -9.45 0.43 0
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7051 71074 2 ClNC6H11 ABC6D11 -32.85 3.28 -8.95 1.0 0
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7052 71081 2 CO2 AB2 -169.63 0.0 -13.01 0.22 -2
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7053 71082 1 N2O2C5H12 A2B2C5D12 -92.61 2.99 -9.76 0.31 0
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7054 71083 1 O2N3C6H9 A2B3C6D9 -62.11 3.96 -9.53 0.16 0
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7055 71085 1 AgHC2F2O2 ABC2D2E2 -126.17 7.38 -8.39 -4.72 0
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7056 71090 1 OC10H10 AB10C10 -2.68 3.29 -9.84 -0.49 0
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7057 71091 2 NO2C4H6 AB2C4D6 -158.99 5.38 -9.97 -1.01 0
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7058 71093 1 CaO4C8H14 AB4C8D14 -317.09 0.14 -10.83 1.03 0
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7059 71094 1 NaO3H7C8 AB3C7D8 -141.22 5.29 -8.56 0.48 0
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7060 71102 1 Na2S2H8O8C11 A2B2C8D8E11 -439.2 14.41 -8.47 -0.87 0
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7061 71103 1 S2O8H10C11 A2B8C10D11 -283.17 2.88 -9.01 -1.51 0
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7062 71120 1 N2O8C11H16 A2B8C11D16 -367.32 1.67 -10.64 -0.29 0
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7063 71149 1 BrN2O2C9H15 AB2C2D9E15 -47.44 3.85 -9.6 -0.61 0
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7064 71150 1 KO4C25H37 AB4C25D37 -265.9 8.13 -9.44 0.2 0
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7065 71151 1 O4C25H38 A4B25C38 -221.15 8.47 -9.77 0.0 0
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7066 71152 1 ON2C13H14 AB2C13D14 -11.06 2.03 -9.53 0.04 0
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7067 71153 1 OF3N4C14H19 AB3C4D14E19 -180.29 5.47 -8.67 -0.47 0
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7068 71154 1 N2S2C11H14 A2B2C11D14 41.44 3.29 -8.53 -0.34 0
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7069 71155 1 N2O7C21H28 A2B7C21D28 -246.51 1.99 -8.46 -0.88 0
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7070 71157 2 NOC7H9 ABC7D9 -81.54 4.93 -8.98 0.19 0
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7071 71161 1 NO3C27H31 AB3C27D31 -64.24 1.62 -8.25 -0.16 0
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7072 71162 1 NO2C11H15 AB2C11D15 -65.11 3.49 -9.22 0.04 0
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7073 71163 1 ClOSN2H13C14 ABCD2E13F14 2.94 3.42 -9.21 -0.67 0
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7074 71164 1 PN2Cl3O3C9H20 AB2C3D3E9F20 -243.2 2.63 -9.93 0.34 0
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7075 71165 1 N2O3C16H20 A2B3C16D20 -103.5 2.51 -9.14 0.0 0
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7076 71166 1 ON6H20C21 AB6C20D21 30.78 2.21 -8.27 -0.52 0
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7077 71168 1 ClSO2N4C12H13 ABC2D4E12F13 -37.78 8.99 -8.88 -0.64 0
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7078 71169 1 N3C7H11 A3B7C11 25.17 1.23 -8.95 -0.01 0
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7079 71170 1 O3C16H22 A3B16C22 -145.62 5.61 -9.6 0.13 0
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7080 71171 1 SN5O8C34H41 AB5C8D34E41 -304.03 6.25 -8.47 -0.13 0
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7081 71174 1 O4N9C22H29 A4B9C22D29 -83.97 5.68 -8.41 -0.32 0
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7082 71176 1 ClNOC20H26 ABCD20E26 -55.79 4.2 -8.81 -0.16 0
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7083 71183 1 NO4C18H24 AB4C18D24 -87.74 3.18 0.0 0.0 1
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7084 71188 1 FN3O3C19H22 AB3C3D19E22 -116.9 12.57 -8.9 -1.0 0
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7085 71194 1 NCl2O2H9C13 AB2C2D9E13 -48.72 6.3 -9.19 -1.01 0