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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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397000 135029571 24 CH AB 39.73 1.02 -8.19 -0.8 0
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397001 135029572 2 O2H9C10 A2B9C10 -123.17 1.97 -9.2 -1.23 0
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397002 135029576 1 FNO2C14H16 ABC2D14E16 -82.6 4.17 -9.26 -0.92 0
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397003 135029581 1 BrNOH10C15 ABCD10E15 47.24 2.53 -9.18 -1.0 0
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397004 135029585 2 O2H8C9 A2B8C9 -116.01 3.25 -9.52 -1.08 0
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397005 135029586 1 ON3C19H21 AB3C19D21 59.9 2.41 -8.55 -0.18 0
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397006 135029591 1 NO3H15C20 AB3C15D20 -44.02 3.89 -8.99 -1.13 0
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397007 135029592 1 O2N4C21H26 A2B4C21D26 3.36 3.38 -8.64 -0.59 0
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397008 135029593 1 NO2S2F3C17H18 AB2C2D3E17F18 -207.23 2.85 -8.67 -0.62 1
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397009 135029594 1 CSN3H6 ABC3D6 41.69 6.33 0.0 0.0 0
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397010 135029595 1 NO3C19H23 AB3C19D23 -95.29 4.92 -9.1 -0.76 0
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397011 135029596 1 O2N3H17C20 A2B3C17D20 102.52 5.16 -8.8 -0.81 0
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397012 135029597 1 NSO3C10H15 ABC3D10E15 -116.66 6.1 -9.88 -0.52 0
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397013 135029598 1 N2O4H24C25 A2B4C24D25 -105.52 4.49 -9.28 -1.09 0
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397014 135029599 1 ON5C13H15 AB5C13D15 99.95 7.46 -9.1 -0.87 0
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397015 135029601 1 N2O2H20C21 A2B2C20D21 -29.27 0.42 -9.13 -1.08 0
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397016 135029602 2 NOH9C10 ABC9D10 -25.86 0.35 -9.14 -1.08 0
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397017 135029605 2 NOC11H11 ABC11D11 -38.47 1.29 -8.93 -1.01 0
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397018 135029606 2 NOC11H12 ABC11D12 -48.48 3.0 -8.9 -0.97 0
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397019 135029607 1 N2O3C22H22 A2B3C22D22 -68.27 2.16 -8.67 -1.02 0
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397020 135029608 1 OSiC19H20 ABC19D20 41.73 2.27 -9.25 -0.57 0
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397021 135029609 1 OC21H24 AB21C24 -19.15 0.82 -8.31 -0.39 1
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397022 135029613 1 N2H17C26 A2B17C26 133.4 2.27 0.0 0.0 0
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397023 135029615 1 O4C19H28 A4B19C28 -161.49 4.57 -8.65 0.32 0
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397024 135029616 1 SN6H10C11 AB6C10D11 156.48 3.97 -8.73 -1.25 0
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397025 135029618 1 O7C20H22 A7B20C22 -196.6 4.44 -8.39 -0.9 0
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397026 135029619 4 O2C5H5 A2B5C5 -223.03 5.29 -8.3 -0.6 0
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397027 135029620 1 ON2H12C13 AB2C12D13 6.74 4.63 -9.61 -0.68 0
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397028 135029622 1 ClN3C7H12 AB3C7D12 35.92 4.53 -9.96 -0.02 0
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397029 135029623 1 BrNO2H14C17 ABC2D14E17 -17.44 5.65 -9.58 -0.68 0
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397030 135029624 1 NO2H17C18 AB2C17D18 -36.37 1.91 -9.37 -0.6 0
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397031 135029625 1 NO3H17C18 AB3C17D18 -60.2 4.46 -8.76 -0.44 0
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397032 135029626 1 NO2H17C21 AB2C17D21 -3.18 3.93 -8.81 -0.56 0
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397033 135029627 1 NO2H17C21 AB2C17D21 -2.44 5.17 -9.24 -0.83 0
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397034 135029628 1 NO2H17C18 AB2C17D18 -36.04 1.28 -9.33 -0.63 0
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397035 135029630 1 BrNO2H14C17 ABC2D14E17 -16.83 1.96 -9.66 -0.81 0
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397036 135029632 1 ClNO2H14C17 ABC2D14E17 -34.7 1.61 -9.55 -0.71 0
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397037 135029633 1 N2O4H14C17 A2B4C14D17 -24.29 5.77 -10.08 -1.45 0
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397038 135029635 1 ClNO2C14H16 ABC2D14E16 -44.84 4.22 -9.26 -0.92 0
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397039 135029637 1 NO2C18H23 AB2C18D23 -56.23 4.38 -8.96 -0.4 0
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397040 135029638 1 N3O3H17C23 A3B3C17D23 5.11 5.3 -8.76 -1.11 0
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397041 135029639 1 N3O4H19C24 A3B4C19D24 -33.29 8.11 -8.54 -1.21 0
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397042 135029640 1 N3O4H17C24 A3B4C17D24 -31.7 4.18 -9.2 -0.96 0
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397045 135029643 1 NO7C23H37 AB7C23D37 -363.94 7.25 -9.54 0.41 0
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397048 135029646 1 NO5C20H31 AB5C20D31 -251.89 5.31 -9.38 -0.08 0
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397049 135029650 1 F2N2O2H12C17 A2B2C2D12E17 -136.98 3.58 -9.24 -0.62 0
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397050 135029651 1 N2O2F6H12C19 A2B2C6D12E19 -364.48 5.1 -9.53 -0.97 0
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397051 135029652 2 NOC7H8 ABC7D8 -28.07 0.33 -9.28 -0.07 0
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397052 135029653 2 OC7H12 AB7C12 -125.22 1.97 -10.35 0.9 0
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397053 135029654 2 OC5H8 AB5C8 -81.01 2.1 -10.2 0.67 0