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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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142026 52969497 1 SN2O3C20H22 AB2C3D20E22 -83.08 3.75 -8.86 -1.29 0
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142027 52969498 1 SN2O3C20H22 AB2C3D20E22 -82.05 3.61 -8.84 -1.29 0
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142028 52969589 1 SN2O2C15H26 AB2C2D15E26 -104.11 6.57 -9.1 -0.1 0
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142029 52969666 1 FSN2O4C19H25 ABC2D4E19F25 -175.93 4.07 -8.21 -0.72 0
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142030 52970221 1 SN3O4C14H17 AB3C4D14E17 -90.87 3.6 -9.57 -0.62 0
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142031 52970375 1 S2N3O4C20H25 A2B3C4D20E25 -103.81 6.34 -8.85 -1.2 0
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142032 52970376 1 S2N3O4C21H27 A2B3C4D21E27 -111.42 4.47 -8.8 -1.16 0
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142033 52970424 1 FN2S2O4C18H23 AB2C2D4E18F23 -188.49 8.58 -9.02 -0.53 0
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142034 52970516 1 S2N3O5C18H19 A2B3C5D18E19 -38.15 8.11 -9.56 -0.95 1
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142035 52970718 1 S2O3N5C19H26 A2B3C5D19E26 -83.21 3.33 0.0 0.0 1
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142036 52970859 1 SN4O4C22H29 AB4C4D22E29 -142.77 6.92 0.0 0.0 1
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142037 52970860 1 SN4O4C23H31 AB4C4D23E31 -152.71 7.43 0.0 0.0 1
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142038 52970861 1 SO3N4C22H29 AB3C4D22E29 -100.29 4.82 0.0 0.0 1
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142039 52970862 1 SO2N4C21H29 AB2C4D21E29 -68.2 6.35 0.0 0.0 1
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142040 52971120 1 SO3N4C22H31 AB3C4D22E31 -105.62 1.48 0.0 0.0 1
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142041 52971220 1 SO2N4C22H23 AB2C4D22E23 -26.88 6.52 0.0 0.0 1
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142042 52971275 1 SN3O4C22H24 AB3C4D22E24 -109.21 3.28 0.0 0.0 1
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142043 52971343 1 ClSN3O3C21H21 ABC3D3E21F21 -71.86 3.18 0.0 0.0 1
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142044 52971480 1 SN2O2H21C23 AB2C2D21E23 -2.12 3.67 0.0 0.0 0
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142045 52971632 1 N4O4C21H22 A4B4C21D22 -71.06 5.28 -8.56 -1.39 1
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142046 52971922 1 SN3O4C19H24 AB3C4D19E24 -146.31 6.21 0.0 0.0 0
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142047 52972179 1 FN2S2O3C20H25 AB2C2D3E20F25 -139.37 4.66 -8.76 -0.47 0
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142048 52972338 1 SN2O2C22H26 AB2C2D22E26 -44.09 6.61 -8.6 -0.26 0
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142049 52972478 1 Cl2N2O3C17H18 A2B2C3D17E18 -105.05 3.62 -9.13 -0.97 0
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142050 52972628 1 FSO3N4C16H17 ABC3D4E16F17 -76.49 7.68 -9.74 -0.97 0
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142051 52972756 1 O3N4C17H18 A3B4C17D18 -13.53 1.76 -9.41 -1.07 0
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142052 52973462 1 O3N5C20H23 A3B5C20D23 -43.43 5.96 -8.94 -0.46 0
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142053 52973463 1 SN4O4C18H20 AB4C4D18E20 -76.44 7.02 -9.57 -1.18 0
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142054 52973510 1 O4N5C20H27 A4B5C20D27 -131.51 6.31 -8.34 -0.34 0
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142055 52973775 1 N3O6C20H25 A3B6C20D25 -168.37 8.04 -8.18 -0.71 0
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142056 52974498 1 N3O4C23H27 A3B4C23D27 -140.8 6.41 -9.25 -0.8 0
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142057 52974804 1 ClSO2N4H19C20 ABC2D4E19F20 8.26 3.15 -8.68 -1.76 0
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142058 52975387 1 N3O4C20H23 A3B4C20D23 -101.2 2.92 -8.9 -0.19 0
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142059 52975511 1 FO2N3C18H20 AB2C3D18E20 -66.32 2.62 -8.85 -0.23 0
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142060 52975512 1 ClN3O3C19H20 AB3C3D19E20 -55.86 4.17 -8.71 -0.53 0
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142061 52975513 1 ClSN3O4C13H18 ABC3D4E13F18 -126.25 3.66 -8.59 -0.39 0
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142062 52975514 1 ClFSO2N4C16H24 ABCD2E4F16G24 -97.83 3.2 -8.82 -0.43 0
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142063 52975515 1 FSO2N5C16H22 ABC2D5E16F22 -59.87 0.88 -8.86 -0.33 0
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142064 52975648 1 N3O4H17C19 A3B4C17D19 -94.51 3.2 -8.78 -0.73 0
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142065 52975649 1 ClSN3C16H20 ABC3D16E20 62.05 2.63 -8.86 -0.03 0
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142066 52975650 1 SO2N5C18H19 AB2C5D18E19 16.15 0.93 -9.1 -1.14 0
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142067 52975651 1 ClFO2N4C18H18 ABC2D4E18F18 -77.57 5.94 -8.75 -0.57 0
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142068 52975652 1 O2N5C19H23 A2B5C19D23 0.01 2.68 -8.42 -0.4 0
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142069 52975676 1 N3O3C22H27 A3B3C22D27 -93.21 2.95 -8.62 -0.56 0
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142070 52975828 1 FON3C18H20 ABC3D18E20 -27.72 0.78 -9.05 -0.27 0
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142071 52976510 2 ON3C10H11 AB3C10D11 11.31 8.23 -9.04 -0.32 0
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142072 52976651 1 SO4N5C25H35 AB4C5D25E35 -98.37 9.67 -8.32 -0.48 0
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142073 52976652 1 SN3O4C21H27 AB3C4D21E27 -124.63 6.4 -9.52 -0.57 0
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142074 52976653 2 ON2C9H12 AB2C9D12 -29.9 3.05 -8.77 0.01 0
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142075 52976890 1 OSN3C18H19 ABC3D18E19 26.03 8.04 -9.3 -0.8 0
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142076 52977097 1 SN2O2Cl3H21C22 AB2C2D3E21F22 -52.21 3.76 -8.9 -0.68 1
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142077 52977098 1 SO2F3N3C24H25 AB2C3D3E24F25 -177.64 3.68 0.0 0.0 0
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142078 52977153 1 FON4C23H27 ABC4D23E27 -29.93 2.6 -8.17 -0.34 0
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142079 52977766 2 SO2N3H8C11 AB2C3D8E11 92.41 5.98 -8.16 -2.38 0
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142080 52977784 1 S2O5N6H18C22 A2B5C6D18E22 -12.69 13.9 -9.03 -2.25 0
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142081 52977785 1 ClSO4N5H12C20 ABC4D5E12F20 93.69 9.32 -9.63 -2.74 0
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142082 52978042 1 ClOS2N3H10C15 ABC2D3E10F15 74.68 6.48 -8.99 -1.56 0
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142083 52978043 1 S2N4O5H12C15 A2B4C5D12E15 -32.23 9.1 -9.65 -2.05 0
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142084 52978044 1 BrSN4O4H17C22 ABC4D4E17F22 44.06 2.59 -8.05 -2.08 0
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142085 52978111 1 BrSO3N5H18C23 ABC3D5E18F23 51.13 9.38 -8.62 -2.01 0
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142086 52978112 1 SO2N4C21H22 AB2C4D21E22 16.02 5.69 -9.07 -1.66 1
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142087 52978213 1 O2N6C21H37 A2B6C21D37 -76.76 10.55 0.0 0.0 0
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142088 52978583 1 Cl2O2N3H15C17 A2B2C3D15E17 22.46 5.73 -9.61 -1.91 0
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142089 52978672 1 SN3O3C26H27 AB3C3D26E27 7.91 7.01 -8.75 -1.88 0
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142090 52978686 1 ClSO2N3C26H26 ABC2D3E26F26 26.33 5.38 -8.74 -1.98 0
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142091 52978700 1 N2O5C21H24 A2B5C21D24 -166.31 6.46 -9.04 -0.87 1
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142092 52978867 1 NO3C25H30 AB3C25D30 -77.91 5.61 0.0 0.0 1
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142093 52978868 1 NOF3C24H25 ABC3D24E25 -160.8 6.12 0.0 0.0 0
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142094 52979186 1 ClNS2O3C23H24 ABC2D3E23F24 -76.54 5.4 -8.7 -0.94 0
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142095 52979187 1 ClNSO4C24H26 ABCD4E24F26 -113.91 2.65 -8.28 -0.73 0
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142096 52979334 1 SO3N4C27H42 AB3C4D27E42 -168.94 7.22 -9.01 -0.7 0
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142097 52979640 1 ON7C32H41 AB7C32D41 44.16 7.68 -8.82 0.15 0
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142098 52979641 1 O3N8C29H36 A3B8C29D36 6.81 13.21 -9.25 -0.39 0
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142099 52979961 1 N3O3C25H29 A3B3C25D29 -56.56 4.84 -8.6 -1.13 1
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142100 52980343 1 OSN3H22C24 ABC3D22E24 38.08 3.79 0.0 0.0 0
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142101 52980460 1 ClNO3H16C18 ABC3D16E18 -45.08 7.24 -8.33 -0.93 0
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142102 52980563 1 NO3H17C18 AB3C17D18 -32.45 3.35 -9.09 -0.83 0
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142103 52980847 1 NO2C21H23 AB2C21D23 -14.99 3.7 -8.7 -0.91 0
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142104 52981212 1 NO3C21H21 AB3C21D21 -47.43 4.66 -8.1 -1.01 1
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142105 52981461 1 O2N4H19C22 A2B4C19D22 4.61 6.03 0.0 0.0 0
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142106 52981823 1 FN3O4H28C29 AB3C4D28E29 -48.62 3.89 -8.86 -1.75 0
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142107 52982735 1 NO2C19H19 AB2C19D19 -6.13 3.06 -9.09 -1.01 0
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142108 52982810 1 ClO2N3H8C9 AB2C3D8E9 -31.8 4.46 -9.76 -1.48 0
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142109 52983714 1 ClN2O2H13C15 AB2C2D13E15 -47.18 7.2 -9.3 -1.51 0
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142110 52983725 1 O3H14C15 A3B14C15 -87.82 2.62 -8.64 -0.33 0
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142111 52983762 1 N2O3C11H20 A2B3C11D20 -153.12 7.33 -9.3 0.45 0
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142112 52984070 1 ON2C12H12 AB2C12D12 -4.3 6.66 -9.24 -0.79 0
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142113 52984098 1 NO3H13C14 AB3C13D14 -73.37 6.91 -9.0 -1.1 0
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142114 52984160 1 BrNO3C11H12 ABC3D11E12 -114.04 0.82 -9.28 -1.01 0
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142115 52984591 1 BrClO2N3C21H23 ABC2D3E21F23 -37.49 4.02 -9.1 -1.0 0
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142117 52984928 1 Cl2N2O3C23H30 A2B2C3D23E30 -120.27 3.4 -8.76 -0.29 0
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142118 52984929 1 BrClN2O2C20H24 ABC2D2E20F24 -77.26 2.27 -8.8 -0.7 0
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142119 52985358 1 Cl2N2O3C22H34 A2B2C3D22E34 -184.33 6.38 -8.94 -0.05 0
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142120 52985359 1 ClFN2O3C19H28 ABC2D3E19F28 -194.52 5.62 -8.92 -0.13 0
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142121 52985590 1 SN3O5H19C20 AB3C5D19E20 -132.52 5.84 -9.49 -1.31 0
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142122 52985591 1 SN2O3C20H22 AB2C3D20E22 -74.38 5.91 -9.5 -0.24 0
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142123 52985592 1 SN2O4C22H26 AB2C4D22E26 -134.95 9.1 -9.39 -0.43 0
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142124 52985593 1 SN3O4H19C20 AB3C4D19E20 -108.02 6.49 -9.46 -0.9 0
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142125 52985762 1 NO2C17H23 AB2C17D23 -89.36 4.75 -9.11 0.02 0
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142127 52986084 1 NO2C13H17 AB2C13D17 -75.35 4.7 -8.5 0.16 0