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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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318711 126652799 2 O7C10H13 A7B10C13 -546.82 1.14 -10.42 -0.6 0
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318714 126652805 2 OC8H11 AB8C11 -93.62 2.41 -9.37 -0.56 0
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318715 126652807 1 OC13H24 AB13C24 -70.03 3.27 -8.93 1.49 0
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318716 126652809 1 F2H16C17 A2B16C17 -52.83 0.53 -8.96 -0.5 0
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318717 126652835 1 NSC18H19 ABC18D19 45.42 1.69 -8.51 -0.66 0
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318722 126652881 1 ClN3O3C32H36 AB3C3D32E36 -60.43 7.41 -8.34 -0.64 0
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318730 126652934 1 BrNF3O3H23C25 ABC3D3E23F25 -204.2 3.0 -9.79 -1.11 0
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318732 126652975 1 NOH31C52 ABC31D52 226.19 1.58 -8.26 -1.03 0
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318733 126652977 1 NOH29C50 ABC29D50 221.76 2.37 -8.05 -0.84 0
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318734 126652979 1 NSH27C46 ABC27D46 227.29 3.17 -8.32 -1.1 0
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318735 126652985 1 OH32C55 AB32C55 270.66 1.35 -8.3 -1.04 0
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318737 126652987 1 NOH27C46 ABC27D46 202.4 2.9 -8.31 -1.11 0
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318738 126652988 1 SH30C51 AB30C51 226.16 0.79 -8.36 -0.87 0
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318739 126652996 1 OH34C59 AB34C59 279.55 1.25 -8.46 -1.01 0
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318740 126653001 1 NOH31C54 ABC31D54 228.6 1.75 -8.44 -0.93 0
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318741 126653005 1 NOH29C50 ABC29D50 211.92 1.61 -8.44 -0.9 0
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318743 126653014 1 NSH33C56 ABC33D56 260.18 1.36 -8.41 -0.97 0
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318744 126653018 1 OH34C55 AB34C55 240.81 1.53 -8.08 -0.85 0
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318746 126653021 1 BrNSH14C26 ABCD14E26 145.6 2.34 -8.61 -1.04 0
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318748 126653027 1 N3H21C31 A3B21C31 170.04 0.08 -8.87 -1.11 0
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318749 126653028 1 PO9C90H123 AB9C90D123 -462.6 7.99 -8.83 -0.29 0
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318752 126653035 1 ClNO3C15H16 ABC3D15E16 -82.11 6.08 -8.61 -0.58 0
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318755 126653041 1 ClNO3H18C19 ABC3D18E19 -51.56 4.59 -8.74 -0.72 0
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318757 126653047 1 ClNO3C15H18 ABC3D15E18 -87.54 4.91 -8.76 -0.73 0
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318761 126653067 1 ClSN2O5H21C23 ABC2D5E21F23 -110.44 4.15 -8.55 -0.92 0
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318762 126653072 1 ClSN2O4H13C17 ABC2D4E13F17 -46.74 4.35 -8.97 -0.93 0
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318763 126653073 1 F2O2N6H18C21 A2B2C6D18E21 11.16 7.02 -9.26 -1.18 0
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318765 126653075 2 O2C5H11 A2B5C11 -201.84 2.24 -10.11 1.57 0
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318767 126653078 1 NS2C14H17 AB2C14D17 34.09 4.91 -7.89 -0.98 0
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318768 126653081 1 SC9H20 AB9C20 -46.61 2.24 -8.68 0.81 0
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318769 126653083 1 N2F3O4C28H33 A2B3C4D28E33 -312.64 4.46 -8.36 -0.4 0
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318770 126653084 1 N2F3O4C28H33 A2B3C4D28E33 -231.95 7.08 -8.38 -0.43 0
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318772 126653104 1 F3C14H27 A3B14C27 -230.49 3.61 -10.91 1.74 0
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318773 126653105 1 ON3C7H15 AB3C7D15 -45.13 3.08 -8.46 0.64 1
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318774 126653107 1 ON3C4H8 AB3C4D8 23.08 1.72 0.0 0.0 0
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318775 126653108 1 F3N3O4H14C18 A3B3C4D14E18 -212.14 2.16 -9.37 -1.34 0
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318776 126653109 1 N3O3C7H11 A3B3C7D11 -66.78 2.55 -10.05 0.16 0
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318778 126653204 1 N2C28H55 A2B28C55 -89.02 1.66 0.0 0.0 0
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318779 126653225 1 NO2C33H43 AB2C33D43 -60.94 3.15 -8.61 0.24 0
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318782 126653229 1 NO2C30H37 AB2C30D37 -47.42 1.6 -8.98 0.1 0
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318784 126653234 1 NOC29H35 ABC29D35 -0.47 1.33 -8.7 0.19 0
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318785 126653235 1 NOC26H37 ABC26D37 -48.57 2.78 -8.74 0.36 0
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318787 126653240 1 OCl2N6C17H22 AB2C6D17E22 11.62 5.28 -8.71 -0.67 0
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318788 126653245 1 N2O2F3C9H17 A2B2C3D9E17 -247.54 1.58 -9.04 0.89 0
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318789 126653253 1 N2O7C18H34 A2B7C18D34 -323.72 4.65 -9.37 0.38 0
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318793 126653278 1 NF2O2H7C9 AB2C2D7E9 -73.75 8.17 -10.28 -1.47 0
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318794 126653279 1 NF2O2H7C9 AB2C2D7E9 -71.71 6.72 -10.1 -1.71 0
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318795 126653280 1 FN2O2H7C8 AB2C2D7E8 -12.56 8.43 -10.13 -1.74 0
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318796 126653282 1 FNO4C13H16 ABC4D13E16 -144.79 3.55 -9.7 -0.55 0
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318797 126653288 1 NF2O4C13H15 AB2C4D13E15 -190.51 2.0 -9.82 -0.67 0
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318798 126653307 1 F2N2O4C11H12 A2B2C4D11E12 -164.57 3.91 -10.68 -1.17 0
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318799 126653326 1 NO2C13H15 AB2C13D15 -70.46 3.25 -8.8 0.0 0
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318800 126653327 1 FNO2C14H16 ABC2D14E16 -126.68 7.85 -9.02 -0.19 0
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318801 126653328 1 FNO2C13H14 ABC2D13E14 -117.79 3.7 -9.08 -0.26 0
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318803 126653335 1 NOC12H15 ABC12D15 -40.18 4.78 -9.28 0.2 0
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318804 126653337 1 NOF2C12H13 ABC2D12E13 -134.01 5.85 -9.67 -0.47 0
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318805 126653338 1 NOC13H17 ABC13D17 -47.18 4.87 -9.23 0.22 0
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318806 126653346 1 OF2N2C13H16 AB2C2D13E16 -126.18 7.87 -8.75 -0.2 0
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318807 126653348 1 F2N2O2C13H14 A2B2C2D13E14 -175.6 6.36 -9.45 -0.69 0
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318808 126653363 1 FON2C10H11 ABC2D10E11 -69.46 6.54 -9.69 -0.61 0
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318810 126653404 1 FNO2C14H18 ABC2D14E18 -134.92 5.65 -9.33 -0.28 0
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318812 126653420 1 ON2C13H18 AB2C13D18 11.61 2.79 -9.06 0.34 0
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318813 126653430 1 NF2O4C14H17 AB2C4D14E17 -199.58 4.86 -10.08 -0.6 0
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318814 126653431 1 NF2O2H15C17 AB2C2D15E17 -132.85 6.28 -9.52 -0.46 0
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318815 126653434 1 NF2O3C14H15 AB2C3D14E15 -219.54 6.42 -9.83 -0.62 0
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318817 126653456 1 OF3N6H12C17 AB3C6D12E17 -18.29 6.98 0.0 0.0 0
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318818 126653458 1 SO2F5N6C27H27 AB2C5D6E27F27 -259.82 2.94 -8.82 -0.91 0
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318820 126653475 1 SN3O3C20H21 AB3C3D20E21 -64.52 7.39 -8.94 -0.59 0
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318821 126653487 1 N2O6C19H34 A2B6C19D34 -223.5 6.43 -8.39 0.39 0
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318822 126653495 1 ClO3N8C23H33 AB3C8D23E33 -54.62 3.62 -8.88 -0.34 0
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318823 126653496 1 O5N8C30H44 A5B8C30D44 -172.02 2.78 -8.76 -0.58 0
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318824 126653505 1 FN4H19C20 AB4C19D20 75.99 3.57 -8.19 -0.79 0
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318826 126653512 2 ClN2C10H10 AB2C10D10 78.82 4.79 -8.1 -0.28 0
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318827 126653513 2 FN2C10H10 AB2C10D10 7.88 4.28 -8.1 -0.42 0
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318829 126653515 1 ON3C21H21 AB3C21D21 62.0 3.85 -7.91 -0.71 0