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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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20995 586672 1 ClSO2C9H11 ABC2D9E11 -79.43 3.87 -9.61 -0.04 0
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20996 586676 1 O3C10H12 A3B10C12 -118.92 2.58 -9.25 -0.12 0
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20997 586677 1 N3O3C8H9 A3B3C8D9 -28.04 9.47 -9.62 -1.21 0
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20998 586682 1 N2O2C9H12 A2B2C9D12 -92.11 3.38 -8.7 -0.28 0
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20999 586692 1 ClN2O2C20H25 AB2C2D20E25 -62.12 6.31 -8.84 -0.95 0
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21000 586694 1 FON4C15H19 ABC4D15E19 -34.17 3.6 -9.07 -0.3 0
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21001 586699 2 O3C10H15 A3B10C15 -221.8 7.55 -9.89 -0.34 0
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21002 586700 1 O3N4C16H20 A3B4C16D20 -71.53 0.89 -9.34 -0.75 0
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21003 586703 1 ON2C11H18 AB2C11D18 -40.58 2.07 -9.74 -0.56 0
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21004 586708 1 O3C16H24 A3B16C24 -149.61 3.15 -9.59 -0.57 0
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21005 586710 1 ON2C7H10 AB2C7D10 -22.51 1.84 -8.65 0.33 0
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21006 586711 1 FO2N4H11C17 AB2C4D11E17 29.36 8.12 -10.04 -1.31 0
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21007 586718 2 O2C5H7 A2B5C7 -113.67 6.19 -9.22 -0.28 0
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21008 586725 1 ClN2O2C20H23 AB2C2D20E23 -43.41 3.37 -8.77 -1.18 0
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21010 586729 1 ON2C11H18 AB2C11D18 -45.16 2.88 -9.74 -0.49 0
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21011 586730 1 N2O5C25H34 A2B5C25D34 -155.32 5.07 -7.77 0.34 0
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21012 586735 3 OC4H6 AB4C6 -137.95 4.24 -8.98 -0.19 0
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21013 586761 1 ON6C19H28 AB6C19D28 40.36 6.51 -8.68 -1.41 0
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21014 586762 2 O2C14H21 A2B14C21 -227.97 1.06 -10.23 -1.09 0
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21015 586768 1 ON3C7H11 AB3C7D11 -23.97 1.36 -9.11 0.16 0
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21016 586769 1 NO5C13H17 AB5C13D17 -194.12 3.88 -8.38 -0.16 0
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21017 586775 1 NO5C12H13 AB5C12D13 -160.92 3.25 -8.43 -1.13 0
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21018 586778 1 FN2O2H5C6 AB2C2D5E6 -77.46 8.21 -9.83 -0.99 0
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21019 586784 1 ClOF3N5H11C16 ABC3D5E11F16 -79.31 1.81 -9.59 -1.22 0
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21020 586789 1 ClNC9H16 ABC9D16 -42.61 2.92 -9.05 0.94 0
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21021 586790 1 NOCl2F2H11C15 ABC2D2E11F15 -107.98 2.72 -9.52 -1.16 0
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21022 586791 1 N2C11H18 A2B11C18 18.88 5.18 -8.31 0.85 0
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21023 586798 1 NO2C13H23 AB2C13D23 -131.32 3.61 -9.39 1.07 0
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21024 586812 1 NOH3C5F6 ABC3D5E6 -335.58 7.05 -10.34 -1.45 0
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21025 586826 1 OH7C8 AB7C8 65.94 1.85 0.0 0.0 -5
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21026 586828 1 NO5C12H15 AB5C12D15 -195.7 7.05 -8.51 -0.52 0
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21027 586836 1 ON3C17H27 AB3C17D27 -34.34 3.56 -8.45 -0.46 0
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21028 586843 1 BrSN3H10C13 ABC3D10E13 107.0 2.58 -8.94 -0.84 0
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21029 586846 1 ClON2C19H21 ABC2D19E21 -4.48 4.49 -9.36 -1.21 0
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21030 586849 1 SiO5C27H42 AB5C27D42 -302.03 2.43 -8.17 0.3 0
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21031 586852 1 N2O3C22H28 A2B3C22D28 -97.52 3.63 -8.42 -0.01 0
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21032 586863 1 NO5C9H9 AB5C9D9 -109.11 7.16 -10.34 -1.47 0
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21033 586865 1 Cl2N4O4H8C13 A2B4C4D8E13 53.76 6.49 -9.75 -2.05 0
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21034 586889 1 ClO2C23H37 AB2C23D37 -147.98 2.24 -9.93 -0.87 0
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21035 586892 1 Cl2O2N5H11C12 A2B2C5D11E12 8.32 8.74 -9.35 -0.79 0
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21036 586895 1 O3C30H50 A3B30C50 -225.46 1.38 -9.47 0.92 0
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21037 586898 1 O6C31H48 A6B31C48 -344.92 4.6 -9.5 0.92 0
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21038 586918 1 N2O3C14H16 A2B3C14D16 -56.6 3.56 -8.78 -0.74 0
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21039 586930 1 NSC11H17 ABC11D17 -10.34 3.93 -8.7 -0.28 0
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21040 586933 1 ON3C6H9 AB3C6D9 -12.05 9.28 -9.43 -0.04 0
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21041 586938 1 O2C9H14 A2B9C14 -58.68 1.0 -10.0 1.16 0
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21042 586959 1 SiC9H18 AB9C18 -18.91 0.48 -9.77 1.11 0
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21043 586961 1 FSi2C12H27 AB2C12D27 -181.19 1.94 -8.16 1.17 0
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21044 586972 1 ClO2N3H12C15 AB2C3D12E15 11.91 3.04 -9.68 -1.15 0
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21045 586990 1 ClO2C13H17 AB2C13D17 -99.35 1.93 -9.97 -0.93 0
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21046 587002 1 Cl2N2O4H20C23 A2B2C4D20E23 -112.55 3.01 -8.44 -0.92 0
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21047 587011 1 NSC7H9 ABC7D9 24.19 6.53 -8.13 -0.72 0
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21048 587012 1 NSC7H9 ABC7D9 22.72 6.25 -8.2 -0.6 0
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21049 587013 1 NSC7H9 ABC7D9 24.01 6.64 -8.19 -0.62 0
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21050 587031 1 ClC12H15 AB12C15 7.28 2.18 -9.46 -0.01 0
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21051 587040 2 O2C17H24 A2B17C24 -215.54 2.84 -9.49 -0.53 0
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21052 587047 1 ClNSO2H14C19 ABCD2E14F19 7.23 3.17 -9.32 -1.07 0
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21053 587048 1 ClO2N3C18H18 AB2C3D18E18 -29.71 5.96 -8.87 -0.51 0
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21054 587049 1 O2S2H12C13 A2B2C12D13 -14.35 5.5 -8.45 -1.02 0
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21055 587050 1 SiO3C9H14 AB3C9D14 -158.01 3.12 -9.82 -0.48 0
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21056 587051 1 PO3C7H17 AB3C7D17 -218.49 2.05 -10.45 1.15 0
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21057 587054 2 ClON3H9C14 ABC3D9E14 106.76 1.52 -9.05 -1.4 0
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21058 587055 1 Cl2N2O2H20C27 A2B2C2D20E27 -7.74 3.39 -8.75 -0.83 0
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21059 587056 1 N2O4C15H20 A2B4C15D20 -198.01 8.99 -9.73 -0.44 0
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21060 587064 1 ClNOH16C19 ABCD16E19 12.0 4.02 -8.89 -0.64 0
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21061 587065 1 BrNCl2O2H12C20 ABC2D2E12F20 -15.1 3.91 -9.27 -1.21 0
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21062 587066 1 ClSN3O3H10C15 ABC3D3E10F15 19.23 4.06 -9.4 -1.82 0
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21063 587068 1 ClO2N4H7C9 AB2C4D7E9 40.77 6.74 -9.85 -1.05 0
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21064 587069 1 ON2Cl3H13C20 AB2C3D13E20 31.17 1.33 -8.97 -0.93 0
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21065 587070 1 OCl2N2S2H4C11 AB2C2D2E4F11 64.45 2.64 -9.27 -2.26 0
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21066 587071 1 BrClNO3H7C13 ABCD3E7F13 8.14 5.44 -10.22 -1.69 0
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21067 587072 1 ClSN2O3H11C16 ABC2D3E11F16 -52.46 7.0 -9.35 -1.27 0
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21068 587088 1 ClO2H19C24 AB2C19D24 -0.46 3.95 -9.65 -0.62 0
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21069 587090 1 FNO3H4C7 ABC3D4E7 -51.33 3.84 -10.79 -2.04 0
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21070 587093 1 ClON3F6H14C18 ABC3D6E14F18 -302.43 9.97 -10.06 -0.91 0