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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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321007 126664398 1 ClSN5O7C38H52 ABC5D7E38F52 -269.44 4.36 -9.23 -0.46 0
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321008 126664401 1 ClFSN4O4C30H40 ABCD4E4F30G40 -208.61 7.09 -9.1 -0.46 0
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321009 126664406 1 SF2N4O6C33H46 AB2C4D6E33F46 -341.39 10.43 -8.4 -0.36 0
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321010 126664407 1 ClSO3F4N5C30H32 ABC3D4E5F30G32 -238.3 9.63 -9.4 -0.79 0
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321011 126664421 1 SN3O4C15H27 AB3C4D15E27 -161.97 4.05 -9.25 -0.2 0
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321012 126664422 1 SF2O3N4C33H38 AB2C3D4E33F38 -130.44 9.19 -9.22 -0.12 0
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321013 126664426 1 ClFSN6O6C35H46 ABCD6E6F35G46 -238.94 5.05 -9.4 -0.26 0
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321014 126664428 1 ClFSN6O6C35H46 ABCD6E6F35G46 -230.01 5.55 -9.41 -0.55 0
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321015 126664429 1 ClFSN4O6C29H38 ABCD4E6F29G38 -253.63 3.74 -8.69 -0.65 0
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321016 126664433 1 ClFSO3N4C27H38 ABCD3E4F27G38 -133.68 5.2 -8.24 -0.25 0
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321017 126664436 1 ClSO4N5C30H44 ABC4D5E30F44 -129.23 4.06 -8.54 -0.19 0
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321018 126664442 1 SF4N4O5C21H24 AB4C4D5E21F24 -351.74 7.86 -9.8 -1.38 0
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321019 126664448 1 ClSF4N4O6C32H39 ABC4D4E6F32G39 -418.62 3.65 -9.49 -0.7 0
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321020 126664452 1 SF2N4O6C32H44 AB2C4D6E32F44 -313.53 4.46 -8.54 -0.8 0
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321021 126664454 1 SF2N4O6C32H42 AB2C4D6E32F42 -311.81 8.68 -9.36 -0.39 0
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321022 126664463 1 ClSN4O4C34H57 ABC4D4E34F57 -186.53 2.25 -8.34 -0.23 0
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321023 126664465 1 ClFS2N4O7C30H38 ABC2D4E7F30G38 -289.93 4.75 -9.3 -0.78 0
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321024 126664466 1 SF2N4O5C29H40 AB2C4D5E29F40 -293.35 3.2 -8.28 -0.57 0
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321025 126664467 1 SF2N4O5C29H38 AB2C4D5E29F38 -283.96 4.65 -9.13 -0.44 0
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321026 126664469 1 SF2O4N5C30H41 AB2C4D5E30F41 -194.03 6.77 -9.3 -0.36 0
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321027 126664470 1 SF2O4N5C30H43 AB2C4D5E30F43 -236.92 9.39 -8.52 -0.46 0
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321028 126664473 2 NO2C12H16 AB2C12D16 -151.87 3.63 -8.6 0.25 0
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321029 126664476 1 SF2N4O4C31H44 AB2C4D4E31F44 -219.08 3.8 -8.0 -0.17 0
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321030 126664482 1 N2O4C21H26 A2B4C21D26 -131.02 2.93 -8.9 0.02 0
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321031 126664490 1 ClSF4N5O5C31H40 ABC4D5E5F31G40 -375.84 5.17 -8.48 -1.54 0
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321032 126664492 1 ClSN5O6C31H44 ABC5D6E31F44 -214.37 6.96 -8.37 -0.55 0
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321033 126664494 1 NC8H15 AB8C15 -6.67 2.13 -9.34 1.25 0
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321034 126664495 1 N2O4C27H30 A2B4C27D30 -103.62 5.02 -8.63 -0.06 0
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321035 126664496 1 ClFSO4N5C31H43 ABCD4E5F31G43 -164.78 5.91 -9.22 -0.55 0
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321036 126664498 1 SCl2F2N5O5C30H31 AB2C2D5E5F30G31 -209.27 9.13 -9.15 -1.3 0
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321037 126664499 1 SCl2F2N5O5C30H33 AB2C2D5E5F30G33 -226.74 4.12 -8.34 -1.16 0
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321038 126664502 1 ClFSN4O4C31H44 ABCD4E4F31G44 -178.5 5.01 -8.85 -0.54 0
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321039 126664503 1 ClFN2O2C16H16 ABC2D2E16F16 -89.31 1.72 -9.72 -0.59 0
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321040 126664523 2 N2O2C13H18 A2B2C13D18 -143.58 5.12 -8.78 0.1 0
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321041 126664524 1 ClSO3F4N5C30H32 ABC3D4E5F30G32 -235.87 8.01 -9.52 -1.01 0
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321042 126664525 1 ClSF2N4O6C30H37 ABC2D4E6F30G37 -286.01 7.43 -9.46 -0.85 0
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321043 126664528 1 ClSF2N4O6C30H39 ABC2D4E6F30G39 -297.09 3.7 -8.51 -0.88 0
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321044 126664532 1 ClFSO4N6C31H40 ABCD4E6F31G40 -153.72 6.6 -8.57 -0.61 0
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321045 126664536 1 ClSN4O5C33H55 ABC4D5E33F55 -221.84 4.39 -8.36 -0.3 0
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321046 126664543 1 ClSN4O5C28H45 ABC4D5E28F45 -221.02 7.56 -8.43 -0.7 0
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321047 126664545 1 ClSN4O6C29H43 ABC4D6E29F43 -241.27 5.02 -9.32 -0.28 0
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321048 126664553 1 SN3O6C28H41 AB3C6D28E41 -265.53 2.74 -9.54 0.08 0
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321049 126664574 1 FO4N6H23C25 AB4C6D23E25 -52.79 5.42 -9.44 -0.76 0
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321050 126664575 1 ClSN4O6C32H51 ABC4D6E32F51 -272.61 5.92 -8.49 -0.54 0
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321051 126664581 1 SF3N4O6C30H39 AB3C4D6E30F39 -363.2 11.0 -9.16 0.02 0
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321052 126664582 1 FSN4O6C31H47 ABC4D6E31F47 -302.05 4.14 -9.33 -0.29 0
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321053 126664584 1 FO4C7H9 AB4C7D9 -198.44 5.21 -10.44 -0.55 0
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321054 126664585 1 ClSN4O6C30H47 ABC4D6E30F47 -252.85 5.2 -8.45 -0.27 0
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321055 126664589 1 ClFSN4O4C30H42 ABCD4E4F30G42 -186.61 2.15 -8.52 -0.36 0
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321056 126664595 1 ClNO4C23H24 ABC4D23E24 -154.78 3.88 -9.45 -0.39 0
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321057 126664597 1 ClSF3O3N5C29H31 ABC3D3E5F29G31 -171.2 5.53 -9.08 -0.64 0
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321058 126664601 1 ClFSN4O4C30H42 ABCD4E4F30G42 -205.76 6.64 -8.43 -0.29 0
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321059 126664603 1 ClFSN4O4C30H40 ABCD4E4F30G40 -205.97 7.9 -8.93 -0.18 0
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321060 126664606 1 ClFSN4O4C31H44 ABCD4E4F31G44 -169.79 7.35 -8.66 -0.22 0
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321061 126664607 1 SN4F5O5C32H35 AB4C5D5E32F35 -383.23 1.36 -8.3 -1.04 0
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321062 126664609 1 ClFSO4N5C30H41 ABCD4E5F30G41 -169.18 11.94 -9.11 -0.54 0
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321063 126664610 1 ClS2N4O5C28H45 AB2C4D5E28F45 -201.41 4.7 -8.78 -0.23 0
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321064 126664612 2 NO2C10H12 AB2C10D12 -124.0 5.09 -8.81 0.09 0
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321065 126664617 1 ClSF3O3N5C31H35 ABC3D3E5F31G35 -200.45 9.16 -9.02 -0.42 0
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321066 126664618 1 F2S2N5O5C30H43 A2B2C5D5E30F43 -247.7 8.73 -8.5 -0.09 0
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321067 126664619 1 SF3N5O6C31H36 AB3C5D6E31F36 -303.49 5.63 -8.83 -0.55 0
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321068 126664621 1 SF3N5O6C31H34 AB3C5D6E31F34 -317.89 11.65 -9.07 -0.65 0
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321069 126664625 1 ClFSN4O6C33H46 ABCD4E6F33G46 -276.55 6.52 -8.97 -0.52 0
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321070 126664626 1 ClO2F4N4H9C15 AB2C4D4E9F15 -166.86 1.68 -9.96 -1.62 0
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321071 126664628 1 ClSF2O4N5C30H42 ABC2D4E5F30G42 -226.6 8.85 -8.81 -0.6 0
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321072 126664632 1 ClFSO4N6C31H40 ABCD4E6F31G40 -125.4 6.18 -8.44 -0.55 0
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321073 126664633 1 ClFSO4N5C32H47 ABCD4E5F32G47 -201.82 6.79 -8.45 -0.56 0
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321074 126664634 1 ClSN4O5C28H43 ABC4D5E28F43 -214.37 10.21 -9.43 -0.23 0
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321075 126664635 1 FSN4O4C31H51 ABC4D4E31F51 -226.2 5.59 -8.34 -0.1 0
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321076 126664637 1 ClFSN4O6C32H42 ABCD4E6F32G42 -259.52 4.43 -9.08 -0.33 0
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321077 126664638 1 ClSN4O5C28H45 ABC4D5E28F45 -214.19 8.97 -8.6 -0.24 0
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321078 126664645 1 ClSF4N5O5C31H34 ABC4D5E5F31G34 -330.93 5.01 -8.51 -1.18 0
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321079 126664646 1 ClSF3N4O5C29H36 ABC3D4E5F29G36 -312.98 3.19 -8.44 -0.72 0
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321080 126664648 1 ClFSN4O6C30H40 ABCD4E6F30G40 -259.38 3.92 -8.44 -0.65 0
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321081 126664649 1 ClFSN4O6C30H38 ABCD4E6F30G38 -246.16 4.47 -9.17 -0.57 0
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321082 126664650 2 ON3C10H10 AB3C10D10 16.36 10.49 -8.94 -1.42 0
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321083 126664653 1 SO3N6C18H22 AB3C6D18E22 -48.39 4.97 -8.65 -1.18 0
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321084 126664662 1 SF4O5N6C35H38 AB4C5D6E35F38 -288.52 4.86 -9.67 -0.55 0
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321085 126664680 1 SF2N4O4C29H42 AB2C4D4E29F42 -248.96 1.22 -8.66 -0.5 0
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321086 126664685 1 BrON6C16H17 ABC6D16E17 39.36 6.2 -8.86 -1.32 0
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321087 126664691 1 SO4N6H18C19 AB4C6D18E19 -59.39 9.01 -8.64 -1.43 0
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321088 126664694 1 SO4N6C19H20 AB4C6D19E20 -60.13 11.1 -8.76 -1.34 0
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321089 126664695 1 SF4N4O5C31H32 AB4C4D5E31F32 -299.2 7.84 -9.1 -1.06 0
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321090 126664697 1 SF4N4O5C30H38 AB4C4D5E30F38 -371.27 2.96 -8.51 -0.65 0
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321091 126664722 1 ClISO6N7H27C30 ABCD6E7F27G30 -57.66 4.53 -8.26 -1.53 0
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321093 126664737 1 SF2N4O4C30H42 AB2C4D4E30F42 -195.86 6.86 -8.05 -0.13 0
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321094 126664738 1 ClSO3N6C18H21 ABC3D6E18F21 -61.51 7.83 -8.43 -1.0 0
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321095 126664740 1 SO5N6C19H20 AB5C6D19E20 -136.89 2.65 -8.6 -1.33 0
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321096 126664762 1 ClSO6N9C41H44 ABC6D9E41F44 -154.5 7.63 -8.04 -0.25 0
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321097 126664777 1 O5N6C30H32 A5B6C30D32 -90.96 9.67 -8.99 -1.4 0
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321098 126664786 1 SN2O5C8H16 AB2C5D8E16 -207.83 6.99 -10.15 -0.04 0
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321100 126664850 1 SN2C11H25 AB2C11D25 -5.12 3.04 0.0 0.0 1
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321101 126664890 1 SN2C25H47 AB2C25D47 -45.56 1.67 0.0 0.0 0
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321102 126664891 1 BrSN2C15H33 ABC2D15E33 -52.7 11.05 -7.87 0.31 1
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321103 126664892 1 SN2C15H33 AB2C15D33 -12.26 2.73 0.0 0.0 0
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321104 126664893 1 BrSN3C12H24 ABC3D12E24 -15.96 5.76 -7.83 0.26 1
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321105 126664894 1 SN3C12H24 AB3C12D24 9.34 1.67 0.0 0.0 0
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321106 126664895 1 BrSN2C25H47 ABC2D25E47 -30.79 18.35 -7.1 -2.14 0
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321107 126664897 1 BrSN2C20H43 ABC2D20E43 -7.47 80.42 -4.68 -2.81 1
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321108 126664902 1 SN2C11H25 AB2C11D25 6.05 3.56 0.0 0.0 0