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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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162682 57551415 1 FO2N4H23C25 AB2C4D23E25 -56.57 4.77 -8.28 -0.94 0
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162683 57551423 1 FN3O4C27H30 AB3C4D27E30 -180.37 1.9 -8.28 -0.53 0
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162684 57551429 1 FON4H19C20 ABC4D19E20 -4.13 5.73 -8.23 -0.91 0
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162685 57551431 1 FON3C21H24 ABC3D21E24 -69.13 4.1 -8.22 0.09 0
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162687 57551434 1 FSN2O2H23C24 ABC2D2E23F24 -72.02 2.76 -8.18 -1.07 0
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162688 57551435 1 FO2N3H24C26 AB2C3D24E26 -69.32 3.24 -8.18 -0.74 0
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162689 57551437 1 FO2N4H25C26 AB2C4D25E26 -56.9 5.17 -8.28 -1.02 0
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162690 57551438 1 FO2N3H22C24 AB2C3D22E24 -61.03 4.24 -8.15 -0.93 0
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162691 57551440 1 OF2N2H24C26 AB2C2D24E26 -83.54 3.52 -8.24 -0.66 0
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162692 57551447 1 FN2O2H25C27 AB2C2D25E27 -68.18 4.21 -8.26 -0.83 0
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162694 57551454 1 FO2N4H25C26 AB2C4D25E26 -58.49 3.95 -8.24 -1.06 0
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162695 57551461 1 ClFON2C20H20 ABCD2E20F20 -69.42 3.1 -8.21 -0.54 0
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162696 57551464 1 ON2F4H22C26 AB2C4D22E26 -189.74 2.22 -8.19 -0.86 0
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162697 57551467 1 FOCl2N2H17C19 ABC2D2E17F19 -68.17 2.59 -8.26 -1.01 0
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162698 57551469 1 FON3C21H22 ABC3D21E22 -35.76 5.61 -8.25 -0.25 0
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162699 57551475 1 FN2O4C24H27 AB2C4D24E27 -190.61 5.97 -8.13 -0.37 0
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162700 57551478 1 FO2N3C22H22 AB2C3D22E22 -75.02 3.98 -8.26 -0.52 0
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162701 57551480 2 FNOH12C13 ABCD12E13 -111.47 4.49 -8.14 -0.63 0
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162702 57551483 1 BrFON3H19C21 ABCD3E19F21 -31.7 1.17 -8.34 -0.9 0
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162704 57551488 1 FNOC8H10 ABCD8E10 -82.26 2.36 -8.54 -0.03 0
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162705 57551489 1 FN2O2H25C27 AB2C2D25E27 -68.55 1.81 -8.19 -0.77 0
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162706 57551524 1 FN2O4C24H27 AB2C4D24E27 -188.13 4.14 -8.27 -0.47 0
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162707 57551528 1 BrFON3H17C18 ABCD3E17F18 -44.18 2.96 -8.35 -1.13 0
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162708 57551531 1 FO2N3H18C20 AB2C3D18E20 -54.7 3.46 -8.38 -0.53 0
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162709 57551540 1 FO2N3C22H22 AB2C3D22E22 -72.53 3.28 -8.27 -0.65 0
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162710 57551546 1 F2N2O2H22C25 A2B2C2D22E25 -118.26 3.02 -8.23 -0.86 0
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162711 57551547 1 FN2O4C26H31 AB2C4D26E31 -199.8 4.0 -8.21 -0.3 0
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162712 57551550 1 FO3N4C25H27 AB3C4D25E27 -110.96 4.37 -8.22 -0.85 0
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162715 57551564 1 FO2N4H25C26 AB2C4D25E26 -58.08 5.88 -8.24 -1.0 0
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162716 57551573 1 N4C9H12 A4B9C12 39.38 1.44 -8.13 -0.16 0
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162717 57551575 2 ON2C5H6 AB2C5D6 -35.43 2.86 -8.42 -0.8 0
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162718 57551579 1 IN4C8H9 AB4C8D9 69.65 2.31 -8.33 -1.14 0
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162719 57551580 1 O2N4C9H10 A2B4C9D10 -39.82 6.28 -8.6 -0.99 0
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162720 57551585 1 SF2O4N7C33H41 AB2C4D7E33F41 -186.87 9.06 -8.36 -1.0 0
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162721 57551587 1 SF2N6O6C29H32 AB2C6D6E29F32 -258.53 5.94 -8.76 -1.18 0
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162722 57551588 1 SF2O5N7C30H35 AB2C5D7E30F35 -219.62 7.73 -8.62 -0.86 0
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162723 57551949 1 SN3O8C12H19 AB3C8D12E19 -289.3 3.55 -10.05 -0.36 0
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162725 57551951 1 FO3H9C10 AB3C9D10 -140.29 0.18 -10.4 -1.3 0
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162726 57551963 1 SO2F3N4C22H29 AB2C3D4E22F29 -207.43 5.75 -8.62 -0.92 0
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162727 57551965 1 ClN2O6C21H35 AB2C6D21E35 -309.63 3.2 -9.45 0.3 0
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162728 57551966 1 SO4N5C28H37 AB4C5D28E37 -125.58 3.24 -8.4 -0.48 0
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162729 57551968 1 ClNO3C10H18 ABC3D10E18 -169.77 4.52 -9.55 0.61 0
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162731 57551970 1 BrFO3H8C10 ABC3D8E10 -132.44 2.15 -10.49 -1.48 0
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162732 57551994 1 ClSO4N5C27H34 ABC4D5E27F34 -120.39 5.11 -8.62 -0.75 0
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162733 57552003 1 ClSO2N7F8H20C23 ABC2D7E8F20G23 -396.77 10.31 -9.11 -1.46 0
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162734 57560093 1 O3C26H46 A3B26C46 -201.79 1.62 -8.93 0.51 0
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162737 57560470 1 SO2C27H29 AB2C27D29 -47.33 2.95 0.0 0.0 1
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162738 57560471 1 SO3H25C26 AB3C25D26 -79.25 2.07 0.0 0.0 0
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162739 57560543 1 O3C17H30 A3B17C30 -182.39 1.1 -9.86 0.85 0
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162740 57560921 2 ON2C10H12 AB2C10D12 -15.64 5.59 -8.72 -0.27 0