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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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395073 135024584 1 O5C12H22 A5B12C22 -247.58 4.81 -10.4 -0.83 0
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395074 135024585 1 SN4O4H10C12 AB4C4D10E12 -35.24 5.66 -9.23 -1.6 1
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395075 135024587 1 ON2H11C13 AB2C11D13 40.58 5.34 0.0 0.0 0
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395076 135024590 1 NO2C7H9 AB2C7D9 10.76 4.61 -8.67 -0.61 0
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395077 135024604 1 NOH21C28 ABC21D28 69.39 4.33 -8.16 -1.0 0
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395079 135024614 2 NOC9H13 ABC9D13 -27.84 1.35 -8.94 0.24 0
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395080 135024615 1 O3C25H30 A3B25C30 -63.45 2.87 -8.98 0.03 0
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395081 135024616 3 H8C9 A8B9 280.49 2.15 -9.26 0.2 0
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395082 135024617 1 SN2O3C20H22 AB2C3D20E22 -37.12 4.75 -9.41 -0.51 0
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395083 135024618 1 ClNO2C19H22 ABC2D19E22 -59.76 2.38 -9.44 0.08 0
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395084 135024619 1 ClNO2C19H22 ABC2D19E22 -65.08 2.48 -9.39 0.16 0
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395085 135024620 1 N2O4C13H22 A2B4C13D22 -209.21 3.25 -9.62 0.02 0
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395086 135024621 1 N2O4C25H40 A2B4C25D40 -220.74 6.05 -9.48 0.23 0
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395087 135024622 1 NO2C19H29 AB2C19D29 -102.44 1.87 -9.18 0.03 1
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395088 135024624 1 N2C35H37 A2B35C37 101.23 1.91 0.0 0.0 1
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395089 135024625 1 N2C39H45 A2B39C45 62.09 1.44 0.0 0.0 0
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395090 135024628 1 NSSi2O8C46H71 ABC2D8E46F71 -404.01 6.64 -8.82 -0.72 0
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395091 135024634 1 NOH57C86 ABC57D86 353.49 3.04 -8.14 -0.79 0
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395092 135024635 1 NOH33C48 ABC33D48 165.68 3.98 -8.34 -1.08 0
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395093 135024642 1 O6C17H28 A6B17C28 -294.84 2.34 -10.19 0.21 0
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395094 135024643 1 O11C38H44 A11B38C44 -380.85 4.09 -9.22 0.0 0
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395095 135024644 1 NSO7C16H19 ABC7D16E19 -262.08 5.27 -10.18 -0.59 0
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395096 135024649 1 SiO4C34H44 AB4C34D44 -133.14 2.3 -8.81 0.06 0
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395097 135024652 1 ON2C17H24 AB2C17D24 -18.55 4.18 -8.72 0.48 0
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395098 135024653 1 NOC19H19 ABC19D19 15.01 5.45 -8.5 -0.04 0
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395100 135024657 1 PO2S2H11C16 AB2C2D11E16 -13.19 6.83 -9.36 -1.76 0
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395101 135024658 1 BrPO2S2H10C16 ABC2D2E10F16 -4.51 5.97 -9.37 -1.92 0
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395102 135024663 1 NO3C17H25 AB3C17D25 -128.85 3.58 -8.34 0.27 0
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395103 135024668 1 NSeH19C22 ABC19D22 77.22 3.9 -8.12 -0.04 0
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395104 135024669 1 H22C23 A22B23 54.34 0.64 -9.17 0.31 0
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395105 135024670 24 CH AB 49.63 0.82 -9.17 0.34 0
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395106 135024674 1 NSO2H25C27 ABC2D25E27 19.68 5.04 -9.2 -0.37 1
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395107 135024675 1 ON2H37C39 AB2C37D39 93.08 2.19 0.0 0.0 0
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395108 135024676 1 NSO3H23C24 ABC3D23E24 -31.36 4.55 -8.71 -0.44 0
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395109 135024677 1 SN2O4C21H22 AB2C4D21E22 -39.47 5.83 -9.52 -1.32 0
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395110 135024678 1 ClNSO2H20C23 ABCD2E20F23 1.62 5.55 -9.33 -0.48 0
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395111 135024679 1 INSO2H20C23 ABCD2E20F23 27.86 5.59 -9.27 -0.78 0
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395112 135024680 2 OC7H9 AB7C9 -36.07 0.76 -9.39 0.31 0
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395113 135024681 1 NSO3C19H23 ABC3D19E23 -98.63 5.11 -9.65 -0.49 0
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395114 135024682 1 SN4O4H8C14 AB4C4D8E14 102.48 6.8 -9.88 -1.87 0
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395116 135024684 1 O4C17H24 A4B17C24 -167.91 3.24 -8.09 -0.16 0
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395117 135024685 1 O4C17H22 A4B17C22 -149.16 4.9 -8.48 -0.17 0
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395118 135024686 1 NCl2O3C13H17 AB2C3D13E17 -146.25 4.2 -9.76 -0.66 -1
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395119 135024687 1 HCl2O2C4 AB2C2D4 -50.06 2.61 0.0 0.0 0
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395120 135024688 2 ClHOC2 ABCD2 -56.44 0.89 -9.31 -0.22 0
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395121 135024690 1 BrOSH13C21 ABCD13E21 60.33 1.58 -8.73 -1.11 0
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395122 135024691 1 SO2H20C28 AB2C20D28 39.96 5.26 -8.65 -0.98 0
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395123 135024692 1 OSH18C29 ABC18D29 133.97 4.29 -8.68 -1.21 0
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395125 135024695 1 BrOSF7H10C12 ABCD7E10F12 -387.27 5.57 -9.34 -1.14 0
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395127 135024700 1 SO3F7H13C14 AB3C7D13E14 -447.65 9.13 -9.5 -0.86 0