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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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310028 126572954 1 BrFN2O2H4C9 ABC2D2E4F9 6.34 2.59 -10.15 -2.26 0
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310029 126572957 1 NO3S3C22H39 AB3C3D22E39 -135.53 3.01 -9.1 -1.52 0
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310030 126572958 1 S2N3C12H15 A2B3C12D15 68.77 7.12 -8.77 -0.72 0
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310031 126573001 2 O2C5H5 A2B5C5 -59.69 5.43 -9.25 -1.08 0
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310032 126573004 1 FN3O3C37H48 AB3C3D37E48 -162.86 6.17 -8.5 -0.07 0
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310033 126573011 1 O3N4C37H46 A3B4C37D46 -78.12 7.75 -8.57 -0.61 0
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310034 126573018 1 BrN2O3C20H31 AB2C3D20E31 -158.76 6.45 -8.84 -0.41 0
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310035 126573025 1 N3O3C39H53 A3B3C39D53 -140.28 6.91 -8.47 -0.05 0
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310036 126573029 1 FN3O3C37H48 AB3C3D37E48 -163.54 4.93 -8.53 -0.11 0
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310037 126573031 1 ClFN3O3C36H45 ABC3D3E36F45 -165.71 6.1 -8.55 -0.36 0
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310038 126573084 1 F3N3O4C37H46 A3B3C4D37E46 -313.61 7.54 -8.55 -0.37 0
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310039 126573102 1 F3N3O4C38H48 A3B3C4D38E48 -312.47 11.07 -8.54 -0.54 0
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310040 126573103 1 FN3O3C38H50 AB3C3D38E50 -175.13 6.15 -8.66 -0.14 0
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310041 126573105 1 BrFNC17H17 ABCD17E17 -8.58 2.45 -8.97 -0.06 0
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310042 126573115 1 F3N3O3C38H48 A3B3C3D38E48 -279.43 4.74 -8.56 -0.46 0
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310043 126573117 1 Cl2N3O3C36H45 A2B3C3D36E45 -129.3 7.25 -8.55 -0.43 0
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310044 126573126 1 F3N3O4C37H46 A3B3C4D37E46 -303.65 8.02 -8.54 -0.38 0
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310045 126573167 1 Cl2N3O3C36H45 A2B3C3D36E45 -128.59 6.14 -8.55 -0.44 0
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310046 126573187 1 ClSN2O4H7C11 ABC2D4E7F11 -19.82 7.88 -10.24 -1.94 0
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310047 126573193 1 NSO2C11H21 ABC2D11E21 -110.07 5.81 -8.5 -0.86 0
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310048 126573203 1 ClOSN3F8H18C23 ABCD3E8F18G23 -373.87 5.44 -8.92 -1.56 0
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310049 126573306 2 NOC5H10 ABC5D10 -108.93 5.88 -9.14 0.85 0
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310050 126573312 1 N2O3C14H26 A2B3C14D26 -162.65 1.93 -8.88 1.1 0
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310051 126573343 2 FNC6H11 ABC6D11 -109.97 2.48 -9.14 2.05 0
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310052 126573344 1 N3O5C26H37 A3B5C26D37 -141.07 2.58 -8.94 0.01 0
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310053 126573348 1 F2N2O5C27H42 A2B2C5D27E42 -267.82 1.85 -9.29 0.46 0
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310054 126573357 1 N2O5C25H40 A2B5C25D40 -158.14 5.82 -9.13 0.76 0
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310055 126573367 1 F2N2O3C19H30 A2B2C3D19E30 -226.36 3.25 -9.23 0.56 0
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310056 126573375 1 N2O7C28H44 A2B7C28D44 -250.4 4.46 -9.41 0.53 0
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310057 126573387 1 N3O6C23H37 A3B6C23D37 -207.81 2.69 -9.26 0.34 0
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310058 126573395 1 N2O6C25H34 A2B6C25D34 -166.3 4.11 -9.26 -0.41 0
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310059 126573406 1 N2O6C23H36 A2B6C23D36 -213.23 5.85 -9.57 0.27 0
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310060 126573426 1 N2O6C27H38 A2B6C27D38 -175.08 5.96 -9.25 -0.28 0
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310061 126573453 1 NSO5C7H11 ABC5D7E11 -184.04 8.08 -10.18 -0.14 0
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310062 126573454 1 N2O5C26H42 A2B5C26D42 -176.21 5.31 -9.01 0.77 2
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310063 126573456 1 P2N11O12C20H25 A2B11C12D20E25 -371.7 26.87 -7.8 -1.6 0
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310064 126573468 1 N2O3C10H18 A2B3C10D18 -137.03 5.67 -9.14 0.79 0
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310065 126573547 1 N3O6C28H47 A3B6C28D47 -227.1 7.75 -9.04 0.61 0
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310066 126573599 1 SN5O5C28H37 AB5C5D28E37 -166.33 5.48 -8.59 -1.39 0
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310067 126573614 1 NO6C18H19 AB6C18D19 -226.84 5.41 -8.7 -1.34 0
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310068 126573634 1 ClN3O4C23H28 AB3C4D23E28 -146.77 3.85 -8.93 -1.44 0
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310069 126573671 1 N3O5C22H29 A3B5C22D29 -204.19 6.34 -8.88 -1.02 0
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310070 126573728 1 N4O5C24H30 A4B5C24D30 -179.98 8.85 -9.1 -1.5 0
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310071 126573737 1 N3O3C19H25 A3B3C19D25 -100.21 9.65 -9.08 -0.92 0
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310072 126573744 1 N3O3C19H25 A3B3C19D25 -99.37 8.25 -8.82 -0.98 0
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310073 126573760 1 F2N3H19C20 A2B3C19D20 -24.24 4.94 -8.67 -0.66 0
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310074 126573767 1 N2Cl4O5H8C21 A2B4C5D8E21 -77.93 0.39 -9.65 -1.96 0
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310075 126573776 1 FOCl2N5C16H16 ABC2D5E16F16 -5.3 2.15 -9.0 -1.17 0
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310076 126573782 1 FN3C20H20 AB3C20D20 47.24 2.4 -8.76 -0.61 0
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310077 126573852 1 FN2O4C37H47 AB2C4D37E47 -198.55 7.11 -8.37 -0.26 0