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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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398059 135031583 2 OC5H8 AB5C8 -102.27 6.37 -10.34 0.1 0
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398060 135031586 1 OH22C24 AB22C24 37.64 3.77 -8.93 -0.48 0
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398061 135031588 2 ClNSC8H10 ABCD8E10 5.61 2.13 -8.65 -1.45 0
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398062 135031589 1 OC13H22 AB13C22 -62.04 4.03 -9.74 0.49 0
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398063 135031595 1 O4C19H28 A4B19C28 -164.34 2.71 -8.31 0.24 0
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398065 135031606 1 N2O5C21H30 A2B5C21D30 -219.42 5.2 -9.31 -0.29 0
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398066 135031612 1 O2N3C17H19 A2B3C17D19 34.02 5.04 -9.37 0.12 0
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398067 135031619 2 NOH8C9 ABC8D9 39.92 3.91 -8.46 -0.86 -2
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398069 135031621 1 N2O2H22C25 A2B2C22D25 58.4 1.7 -8.46 -0.57 0
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398070 135031622 1 N2O4C17H18 A2B4C17D18 -137.02 1.89 -8.58 -0.29 0
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398071 135031623 1 NO4C16H17 AB4C16D17 -115.78 2.89 -8.58 -0.19 0
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398072 135031624 1 NSiO5C23H35 ABC5D23E35 -259.58 2.0 -8.62 -0.21 0
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398073 135031628 1 FO3C19H19 AB3C19D19 -109.16 2.94 -8.63 -0.47 0
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398074 135031629 1 O3H18C19 A3B18C19 -64.54 2.72 -8.58 -0.85 0
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398075 135031630 2 FOH8C9 ABC8D9 -121.98 2.23 -9.34 -0.61 0
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398076 135031631 1 FO2H15C18 AB2C15D18 -78.42 1.67 -9.21 -0.93 0
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398077 135031632 1 FO3C19H19 AB3C19D19 -113.74 2.97 -9.06 -0.26 0
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398078 135031633 1 FO3C19H19 AB3C19D19 -110.97 3.01 -8.59 -0.26 0
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398079 135031636 1 NO2C14H15 AB2C14D15 36.83 3.15 -10.66 0.14 0
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398080 135031640 1 NO2C8H13 AB2C8D13 -83.39 2.58 -9.48 0.5 0
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398081 135031643 1 NSiO2C19H33 ABC2D19E33 -160.41 3.26 -8.74 0.35 0
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398082 135031655 1 O3N4C14H16 A3B4C14D16 -4.12 10.82 -9.34 -0.46 0
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398083 135031661 1 C17H28 A17B28 -5.6 0.9 -8.94 1.25 0
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398084 135031667 2 OC10H12 AB10C12 -52.19 1.67 -9.17 0.32 0
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398085 135031682 2 O2C11H16 A2B11C16 -207.06 1.26 -8.68 0.63 0
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398086 135031685 1 FN2O2C17H17 AB2C2D17E17 -18.13 3.9 -9.03 -0.55 0
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398087 135031692 1 NO4C12H13 AB4C12D13 -130.97 2.58 -10.1 -0.82 0
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398088 135031705 1 NOC10H15 ABC10D15 -10.5 4.64 -8.52 -0.19 0
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398089 135031726 1 FO3C19H19 AB3C19D19 -105.92 2.89 -8.64 -0.2 0
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398090 135031733 1 N4C23H28 A4B23C28 57.06 2.52 -7.91 0.4 0
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398091 135031734 1 NSO3C14H19 ABC3D14E19 -24.97 8.51 -9.26 -0.21 0
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398092 135031737 1 NF3O7C19H20 AB3C7D19E20 -388.67 6.41 -10.07 -1.25 0
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398093 135031738 1 BrNO7C18H20 ABC7D18E20 -219.06 4.05 -9.63 -1.29 0
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398094 135031739 1 NO8C19H23 AB8C19D23 -266.28 2.38 -9.03 -0.83 0
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398095 135031742 1 NO7C14H19 AB7C14D19 -235.91 3.63 -9.8 -1.03 0
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398096 135031747 1 O2S2H16C17 A2B2C16D17 -28.89 3.25 -8.69 -0.04 0
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398097 135031759 1 O3N5C16H22 A3B5C16D22 35.93 6.84 0.0 0.0 0
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398098 135031770 1 NO3C11H19 AB3C11D19 -88.56 1.56 -9.99 -0.46 0
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398099 135031777 1 O3H14C19 A3B14C19 -53.26 4.22 -8.72 -1.05 0
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398100 135031780 2 O2H5C8 A2B5C8 -75.23 4.64 -8.75 -1.2 0
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398101 135031793 1 ON2F7H13C16 AB2C7D13E16 -340.68 4.63 -9.75 -0.89 0
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398102 135031796 1 OC14H24 AB14C24 -68.9 3.44 -10.03 0.77 0
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398103 135031798 1 O4H14C19 A4B14C19 -75.07 3.76 -9.82 -1.39 0
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398104 135031805 1 ClO2N7H14C17 AB2C7D14E17 70.96 6.37 -9.23 -1.04 0
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398105 135031806 1 ClO2N7H14C17 AB2C7D14E17 72.36 8.05 -9.17 -0.96 0
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398106 135031807 1 BrO2N7H14C17 AB2C7D14E17 83.01 6.44 -9.23 -1.04 0
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398107 135031808 1 FO2N7H14C17 AB2C7D14E17 33.31 7.86 -9.23 -1.04 0
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398108 135031809 1 O2N7H15C17 A2B7C15D17 81.71 7.05 -9.12 -0.95 0
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398109 135031810 1 O2N7H17C18 A2B7C17D18 71.63 6.47 -9.06 -0.92 0
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398110 135031813 1 F3O3N7H14C18 A3B3C7D14E18 -123.67 6.09 -9.3 -1.08 0
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398111 135031814 2 ON4H7C8 AB4C7D8 89.11 8.18 -9.15 -0.93 0
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398112 135031815 1 ClO3N7H16C18 AB3C7D16E18 34.28 9.69 -8.81 -0.9 0
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398113 135031816 2 O2N4H8C9 A2B4C8D9 65.97 10.96 -9.43 -1.26 0
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398114 135031817 4 ON2C5H5 AB2C5D5 53.24 11.85 -9.38 -1.24 0
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398115 135031818 1 NOC20H21 ABC20D21 36.81 3.37 -9.23 -0.01 0
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398116 135031827 2 NSiO3C18H31 ABC3D18E31 -453.86 3.94 -8.04 0.66 0
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398117 135031835 1 NP2O5C25H31 AB2C5D25E31 -252.86 3.89 -8.49 -0.31 0
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398118 135031850 2 OC6H6 AB6C6 -35.16 4.87 -9.25 -0.64 -1
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398119 135031851 1 O4H23C24 A4B23C24 -91.34 3.46 0.0 0.0 -1
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398120 135031856 1 O2N3C17H18 A2B3C17D18 50.62 5.47 0.0 0.0 0
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398121 135031858 1 OC19H20 AB19C20 -1.59 3.36 -8.98 -0.56 -1
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398122 135031859 1 NOC14H14 ABC14D14 33.04 4.54 0.0 0.0 0
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398123 135031872 1 SO2N3C34H39 AB2C3D34E39 18.54 5.76 -6.83 -0.03 0
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398124 135031876 1 NO2C10H11 AB2C10D11 22.31 3.66 -9.98 0.36 0
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398125 135031881 1 SiO2C9H14 AB2C9D14 -108.6 1.65 -8.83 0.2 0
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398126 135031893 1 SN2O5H20C21 AB2C5D20E21 -45.06 7.09 -9.23 -1.21 0
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398127 135031908 1 O6C15H16 A6B15C16 -220.79 9.04 -9.24 -0.85 0
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398128 135031913 2 O2H5C8 A2B5C8 -63.15 3.9 -9.4 -1.34 0
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398129 135031915 1 O4H14C19 A4B14C19 -77.91 2.97 -9.29 -1.05 0
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398130 135031918 1 NSO5C18H21 ABC5D18E21 -168.71 4.61 -8.6 -0.37 0
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398131 135031921 1 NSO3C24H31 ABC3D24E31 -82.79 6.44 -8.56 -0.42 0
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398132 135031922 1 SO2C14H18 AB2C14D18 -81.41 3.14 -9.46 -0.66 0
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398133 135031927 1 N2O4H22C27 A2B4C22D27 -71.33 4.78 -9.3 -0.82 0
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398134 135031965 2 O2C9H9 A2B9C9 -93.3 2.8 -8.49 0.04 0
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398135 135031966 1 O4H16C17 A4B16C17 -100.08 2.67 -8.71 -0.05 0
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398136 135031967 1 OS2H16C17 AB2C16D17 13.7 0.88 -8.88 0.09 0
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398137 135031968 1 OCl2S2H14C17 AB2C2D14E17 -2.56 4.26 -9.04 -0.5 1
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398138 135031969 1 NOC9H18 ABC9D18 -21.14 1.19 0.0 0.0 0
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398139 135031971 1 NO2C22H23 AB2C22D23 -12.34 3.76 -8.12 -0.09 0
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398140 135031972 1 BrNOH20C21 ABCD20E21 27.86 6.49 -8.05 -0.37 0
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398141 135031974 1 NO3C23H23 AB3C23D23 -59.29 3.01 -8.68 -0.4 0
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398142 135031975 1 ClO4N6C15H19 AB4C6D15E19 42.23 8.03 -9.14 -1.22 0
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398143 135031977 2 NOH7C13 ABC7D13 62.1 0.8 -7.99 -1.24 0
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398144 135031978 1 BrNOSH10C14 ABCDE10F14 62.08 2.5 -9.1 -0.83 0
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398145 135031979 1 O3C15H22 A3B15C22 -164.61 2.82 -9.98 0.64 0
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398146 135031980 1 NOC12H15 ABC12D15 -0.4 2.85 -9.42 0.12 0
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398147 135031981 1 ClS2C5H5 AB2C5D5 17.22 2.18 -9.11 -0.74 0
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398148 135031982 1 NSO3F4C13H15 ABC3D4E13F15 -315.59 4.56 -8.41 -0.08 0
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398149 135031984 1 NOC21H29 ABC21D29 7.42 0.92 -8.67 0.47 0
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398150 135031998 1 N2S2F3O5C13H15 A2B2C3D5E13F15 -356.06 3.82 -9.24 -1.14 0
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398151 135032005 1 N2O5C16H16 A2B5C16D16 -205.22 3.17 -9.2 -1.04 0
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398152 135032006 1 IN3S3O7C19H22 AB3C3D7E19F22 -245.83 5.89 -9.28 -1.22 0
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398153 135032013 2 O2Si2S3C14H18 A2B2C3D14E18 -219.33 0.22 -8.16 -1.53 0
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398154 135032035 1 PN2S2O6H23C24 AB2C2D6E23F24 -176.82 2.5 -8.75 -0.65 0
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398155 135032038 3 NO3H13C14 AB3C13D14 -150.63 3.92 -8.6 -0.8 0
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398156 135032041 1 Cl2S2N3C19H27 A2B2C3D19E27 6.14 1.5 -8.43 -1.27 0
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398157 135032042 1 N2S2Cl3C17H21 A2B2C3D17E21 -5.63 3.94 -8.63 -1.56 0
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398158 135032048 1 N3O3C15H25 A3B3C15D25 -156.18 5.7 -10.02 0.15 0
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398159 135032049 1 N2O3H12C13 A2B3C12D13 -55.01 7.62 -8.81 -0.85 0
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398160 135032053 1 NO3C16H21 AB3C16D21 -53.81 2.47 -9.46 -0.61 0