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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
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397054 135029655 1 O3C17H22 A3B17C22 -131.0 1.67 -9.3 -0.64 0
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397055 135029656 1 O3H20C25 A3B20C25 -6.41 1.61 -8.79 -0.87 0
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397056 135029657 2 OC4H7 AB4C7 -100.16 1.83 -10.15 0.96 0
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397057 135029658 1 NSiO3C23H33 ABC3D23E33 -126.48 1.79 -8.94 0.01 0
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397058 135029659 1 NSSiO3C18H25 ABCD3E18F25 -93.0 2.18 -8.84 -0.39 0
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397059 135029660 1 NSiO5C24H37 ABC5D24E37 -280.64 4.14 -9.61 -0.52 0
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397060 135029662 1 SSiO4C24H42 ABC4D24E42 -240.15 5.27 -8.67 -0.63 0
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397061 135029663 1 NSSiO3C21H37 ABCD3E21F37 -183.02 6.44 -8.72 -0.42 0
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397062 135029664 1 SiO5C16H28 AB5C16D28 -264.48 1.1 -8.86 -0.29 0
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397063 135029665 1 SiN2O5C16H28 AB2C5D16E28 -204.01 2.62 -8.97 -1.16 1
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397064 135029666 1 SiN2O5C16H29 AB2C5D16E29 -207.04 8.17 0.0 0.0 0
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397065 135029668 1 BrOSiH13C14 ABCD13E14 58.44 6.24 -9.7 -0.75 -1
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397066 135029672 1 AuClSiN2O3C19H31 ABCD2E3F19G31 -120.42 7.99 0.0 0.0 0
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397067 135029674 1 ON5C18H19 AB5C18D19 62.48 1.01 -8.3 -0.58 0
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397068 135029675 1 ON2H30C32 AB2C30D32 57.96 3.3 -9.09 -0.51 0
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397069 135029676 1 BrOSiC20H23 ABCD20E23 0.55 3.13 -8.9 -0.75 0
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397070 135029677 1 N3O3C5H7 A3B3C5D7 -40.19 4.14 -10.36 -1.06 0
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397071 135029681 1 O5C35H38 A5B35C38 -116.68 2.42 -9.27 0.12 0
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397072 135029687 1 NSO3C20H21 ABC3D20E21 -37.73 3.83 -9.13 -0.69 0
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397073 135029688 1 NO3C23H25 AB3C23D25 -58.43 1.07 -9.01 -0.73 0
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397074 135029690 1 NO3C21H29 AB3C21D29 -105.62 4.22 -8.97 -0.48 0
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397075 135029691 1 NO3C22H23 AB3C22D23 -41.02 3.35 -8.98 -0.54 0
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397076 135029692 1 NO3C24H27 AB3C24D27 -51.71 3.64 -9.04 -0.48 0
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397078 135029696 1 N2O4C15H16 A2B4C15D16 -123.0 5.75 -9.8 -1.3 0
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397079 135029698 1 SO2N3H17C18 AB2C3D17E18 -6.87 1.85 -8.57 -0.5 0
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397080 135029699 1 N2H16C17 A2B16C17 88.5 0.88 -8.81 0.05 0
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397081 135029701 1 NSO3C12H19 ABC3D12E19 -124.71 6.97 -9.74 -0.18 0
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397082 135029702 1 OC22H24 AB22C24 8.83 1.79 -8.54 -0.16 0
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397083 135029703 1 PO4C19H23 AB4C19D23 -214.88 6.47 -8.91 -0.28 0
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397084 135029704 1 ClOC13H15 ABC13D15 -42.09 2.43 -9.99 -0.51 0
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397086 135029707 1 O3H18C19 A3B18C19 -69.93 1.77 -9.4 -0.68 0
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397087 135029708 1 NOH11C15 ABC11D15 34.82 4.96 -9.08 -0.91 0
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397088 135029709 1 BrNSH8C10 ABCD8E10 44.64 1.38 -8.84 -1.07 1
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397089 135029710 1 NO2C14H16 AB2C14D16 -64.51 5.34 0.0 0.0 0
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397090 135029713 1 N2O2H14C17 A2B2C14D17 -21.45 7.07 -8.41 -0.91 0
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397091 135029714 1 N3O4H15C20 A3B4C15D20 -85.57 11.4 -8.56 -1.03 0
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397092 135029715 1 O2N5C26H35 A2B5C26D35 -23.78 10.9 -8.7 -0.33 0
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397093 135029716 1 O3N5C26H37 A3B5C26D37 -48.95 8.35 -9.55 -0.9 0
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397094 135029718 1 NO2F6H15C22 AB2C6D15E22 -319.33 4.24 -10.02 -1.8 0
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397095 135029723 1 NO2F6H19C24 AB2C6D19E24 -338.5 4.2 -9.68 -1.74 0
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397096 135029724 1 NCl2O2F6H17C24 AB2C2D6E17F24 -358.32 6.07 -9.68 -1.9 0
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397097 135029725 1 NO2F8H13C22 AB2C8D13E22 -413.37 4.94 -10.19 -1.83 0
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397098 135029727 1 NO2F6H23C34 AB2C6D23E34 -273.63 4.79 -9.48 -1.8 0
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397099 135029728 1 NO2F6C30H31 AB2C6D30E31 -368.46 5.81 -9.58 -1.67 0
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397100 135029731 1 NF6O6H23C28 AB6C6D23E28 -502.19 3.33 -10.47 -2.07 0
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397101 135029732 1 ON2H16C19 AB2C16D19 19.96 4.8 -8.58 -0.19 0
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397102 135029733 1 NO3C19H19 AB3C19D19 -53.48 3.72 -8.29 -0.07 0
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397103 135029737 1 NO3C11H19 AB3C11D19 -156.56 4.21 -9.73 0.6 1
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397104 135029738 1 C20H21 A20B21 68.38 1.49 0.0 0.0 0
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397105 135029741 1 ClN3C12H14 AB3C12D14 66.35 4.86 -9.71 -0.37 0