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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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162050 57393445 1 ClFNO2C19H23 ABCD2E19F23 -116.42 3.52 -8.92 -0.16 0
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162051 57393448 1 NO2C15H21 AB2C15D21 -76.24 3.4 -9.01 0.09 0
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162052 57393453 2 O2N3C16H23 A2B3C16D23 -130.57 5.95 -8.76 -1.84 0
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162053 57393454 1 ClN2O3H13C14 AB2C3D13E14 -82.4 5.41 -9.1 -0.85 0
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162054 57393457 1 ClO2N3C22H26 AB2C3D22E26 -36.52 1.73 -9.35 -0.67 0
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162055 57393460 1 Cl2N3O3C20H21 A2B3C3D20E21 -73.71 3.79 -9.73 -0.76 0
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162056 57393464 1 O2N5H25C27 A2B5C25D27 14.48 3.27 -9.13 -0.87 0
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162057 57393469 1 FNO11C40H60 ABC11D40E60 -525.78 6.76 -9.36 -0.06 0
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162058 57393470 1 N3O6C33H49 A3B6C33D49 -253.44 7.6 -8.84 -0.33 0
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162059 57393478 1 NCl2O2H13C14 AB2C2D13E14 -43.44 2.51 -9.08 -0.54 0
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162060 57393482 2 O3H12C14 A3B12C14 -147.85 7.39 -9.41 -0.69 0
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162062 57393488 1 BrNO5C25H26 ABC5D25E26 -63.81 6.39 -8.62 -1.45 0
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162063 57393489 1 N2O5H16C20 A2B5C16D20 19.66 6.81 -10.43 -1.62 0
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162064 57393494 1 O2N3C18H19 A2B3C18D19 -23.19 2.71 -8.83 -0.46 0
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162066 57393499 1 NO2C20H30 AB2C20D30 -61.92 2.19 0.0 0.0 0
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162067 57393504 1 SN3O5H17C20 AB3C5D17E20 -104.43 6.69 -8.13 -1.26 0
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162068 57393508 1 SN2O2C21H38 AB2C2D21E38 -97.06 2.58 -8.45 -0.68 1
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162069 57393511 1 SN2O2C21H39 AB2C2D21E39 -66.77 3.5 0.0 0.0 1
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162070 57393513 1 SN2O4C20H37 AB2C4D20E37 -143.65 5.25 0.0 0.0 0
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162073 57393522 1 ClNO3H16C23 ABC3D16E23 -43.04 5.1 -9.09 -1.33 0
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162074 57393524 1 SO2N4C32H34 AB2C4D32E34 14.28 5.99 -8.89 -0.63 0
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162075 57393525 1 ClN2O2F6H23C24 AB2C2D6E23F24 -363.42 2.9 -8.85 -1.5 0
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162076 57393529 1 ClN4O5C36H43 AB4C5D36E43 -99.97 7.49 -8.94 -0.42 0
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162077 57393531 1 SF3N3O4C26H32 AB3C3D4E26F32 -309.76 5.84 -8.92 -1.02 0
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162078 57393533 1 SN2Cl3O6H23C25 AB2C3D6E23F25 -207.36 4.03 -9.38 -1.3 0
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162079 57393534 1 O2N7C27H27 A2B7C27D27 53.9 8.06 -8.83 -0.66 0
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162082 57393555 1 ClF3N4O6C36H40 AB3C4D6E36F40 -328.54 3.37 -8.9 -0.48 0
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162083 57393556 1 ClN4O4F6H33C34 AB4C4D6E33F34 -388.81 4.3 -9.17 -0.82 0
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162084 57393558 1 Cl2F3N3H10C15 A2B3C3D10E15 -97.83 5.55 -8.91 -1.26 0
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162085 57393565 1 O2N5H19C25 A2B5C19D25 51.77 9.57 -8.75 -0.83 0
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162086 57393573 2 ON2C12H15 AB2C12D15 -22.8 3.55 -8.72 -0.05 0
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162087 57393581 1 SN25O29C78H133 AB25C29D78E133 -1453.93 7.2 -9.35 -0.56 0
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162088 57393582 1 SO2N6C22H30 AB2C6D22E30 2.02 11.84 -8.96 -0.47 0
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162089 57393587 1 O3N6H14C19 A3B6C14D19 69.06 3.07 -9.33 -1.6 0
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162090 57393591 1 SN2O2H16C18 AB2C2D16E18 4.27 3.99 -8.52 -0.81 0
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162091 57393596 1 O2C23H32 A2B23C32 -97.31 2.35 -8.18 0.24 0
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162093 57393601 1 ClFSN2C15H18 ABCD2E15F18 -39.23 6.34 -8.61 -0.61 0
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162094 57393604 1 ClFSO2N4H14C15 ABCD2E4F14G15 -61.49 4.49 -8.97 -0.86 0
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162096 57393612 1 NOF2C24H27 ABC2D24E27 -89.62 2.64 -8.8 -0.16 0
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162097 57393617 1 O5C22H24 A5B22C24 -136.46 7.23 -8.34 -0.56 0
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162098 57393618 1 SO3N4C23H26 AB3C4D23E26 -31.1 4.08 -9.1 -0.69 0
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162099 57393620 1 ON2S2C11H20 AB2C2D11E20 -37.55 1.15 -8.96 -0.82 0
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162100 57393623 1 O2N3C17H19 A2B3C17D19 10.62 3.3 -8.27 -0.47 0
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162101 57393624 1 FNO3H12C18 ABC3D12E18 -67.42 8.36 -8.56 -1.91 0
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162102 57393625 5 OC4H4 AB4C4 -126.03 4.74 -8.85 -0.66 0
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162103 57393628 1 O9N10C54H72 A9B10C54D72 -190.37 4.64 -8.0 -0.9 0
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162105 57393633 1 NO3H15C19 AB3C15D19 -31.27 6.45 -8.3 -1.46 0
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162106 57393637 1 IO2N6H15C21 AB2C6D15E21 85.9 4.43 -8.96 -1.56 0
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162107 57393640 1 O2N3C7H9 A2B3C7D9 -55.77 2.68 -8.97 -0.45 0
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162108 57393641 1 ClSF3N4O4C18H18 ABC3D4E4F18G18 -306.52 7.02 -9.24 -1.16 0
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162109 57393645 1 N4O5C25H34 A4B5C25D34 -152.84 4.79 -9.05 0.05 0
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162110 57393648 1 N4O4C25H34 A4B4C25D34 -125.95 3.14 -8.98 0.01 0
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162111 57393649 1 O2F3N3H16C23 A2B3C3D16E23 -139.69 8.93 -9.08 -1.08 0
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162112 57393651 1 ON4C15H18 AB4C15D18 11.82 2.86 -9.09 -0.65 0
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162113 57393652 1 F3N5C15H16 A3B5C15D16 -55.16 12.2 -8.61 -1.19 0
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162114 57393653 1 ClSN5O8C41H50 ABC5D8E41F50 -248.64 7.29 -8.75 -1.13 0
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162116 57393659 1 ClO2N3H16C20 AB2C3D16E20 3.67 1.19 -9.26 -1.15 0
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162117 57393662 1 ClN8C20H31 AB8C20D31 51.23 3.23 -8.66 -0.21 0
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162119 57393669 1 O3C14H16 A3B14C16 -110.4 3.98 -9.18 -0.01 0
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162122 57393681 1 SN2F6H8C16 AB2C6D8E16 -224.48 2.93 -9.82 -1.92 0
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162123 57393682 1 SN2C22H26 AB2C22D26 50.15 2.96 -8.87 -0.96 0
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162124 57393685 1 ClSF4N4O4H25C28 ABC4D4E4F25G28 -293.67 6.55 -9.85 -1.37 0
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162125 57393688 1 NO3C17H19 AB3C17D19 -97.14 7.51 -8.42 -0.17 0
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162126 57393692 1 F3O3H21C26 A3B3C21D26 -191.16 7.53 -9.12 -0.84 0
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162128 57393701 1 PN4O4C12H19 AB4C4D12E19 -183.33 11.84 -9.25 -0.37 0
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162129 57393704 1 SN3O5C29H35 AB3C5D29E35 -135.87 5.74 -8.46 -1.05 0
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162130 57393713 2 ON2C10H13 AB2C10D13 -37.67 3.41 -8.51 -0.52 0
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162131 57393714 1 ON5C21H29 AB5C21D29 3.96 5.79 -8.36 -0.33 0
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162132 57393717 1 Cl2O4N6H22C27 A2B4C6D22E27 0.78 4.86 -8.66 -0.92 0
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162133 57393722 2 O4N8C22H29 A4B8C22D29 -178.36 7.0 -8.93 -0.81 0
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162135 57393733 1 SN4O4C26H34 AB4C4D26E34 -158.37 9.07 -8.95 -0.91 0
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162137 57393742 1 SN2O5C15H22 AB2C5D15E22 -139.38 8.83 -9.29 -1.2 0
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162138 57393743 1 SN2O5C21H26 AB2C5D21E26 -181.91 11.42 -9.7 -1.23 0
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162139 57393744 1 NSO5C24H25 ABC5D24E25 -142.5 11.88 -9.29 -1.18 0
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162140 57393749 1 FOSN4H17C21 ABCD4E17F21 28.1 7.72 -8.45 -0.89 0
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162142 57393757 1 ClSO4N5H14C17 ABC4D5E14F17 -17.27 4.38 -9.49 -1.99 0
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162143 57393758 1 ClS2O3N5H14C17 AB2C3D5E14F17 41.04 4.34 -9.25 -2.13 0
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162144 57393761 1 N3O3C23H27 A3B3C23D27 -86.53 4.49 -8.36 -0.25 0
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162145 57393764 1 N2S2H8O8C9 A2B2C8D8E9 -295.58 1.16 -10.96 -1.95 0
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162146 57393765 1 O2N3C13H15 A2B3C13D15 -40.01 5.76 -8.31 -0.24 0
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162147 57393766 1 SN2O3H6C8 AB2C3D6E8 -74.05 2.09 -9.92 -1.59 0
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162148 57393767 2 N2O2H5C6 A2B2C5D6 -127.57 0.05 -10.53 -1.17 0
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162149 57393771 1 O2N5C16H17 A2B5C16D17 24.2 2.65 -8.21 -0.74 0
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162150 57393772 1 BrSN5H14C15 ABC5D14E15 88.39 4.74 -8.22 -0.93 0
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162151 57393773 1 ClON6C14H15 ABC6D14E15 49.64 3.42 -8.59 -1.22 0
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162152 57393774 1 ClON6C13H13 ABC6D13E13 53.49 3.17 -8.75 -1.23 0
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162153 57393781 1 ClN2O3C23H31 AB2C3D23E31 -119.7 7.16 -8.52 -0.57 0
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162154 57393782 1 ClFN2O3C35H38 ABC2D3E35F38 -86.03 7.73 -8.65 -0.96 0
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162155 57393785 1 ClFNO3C29H31 ABCD3E29F31 -121.39 3.2 -9.17 -0.3 0
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162156 57393787 1 FN2O4C29H33 AB2C4D29E33 -136.71 4.66 -8.04 -0.31 0
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162157 57393790 1 ClFN2O3C23H30 ABC2D3E23F30 -171.27 5.74 -8.8 -0.56 0
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162158 57393793 1 FNO4C22H26 ABC4D22E26 -170.15 5.22 -8.98 -0.67 0
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162161 57393802 2 NO2C8H8 AB2C8D8 -116.03 5.98 -8.62 -0.24 0
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162162 57393803 1 SN2O4H18C19 AB2C4D18E19 -103.43 11.6 -8.43 -1.1 0
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162164 57393806 1 O3H8C11 A3B8C11 -74.93 2.43 -9.78 -1.74 0
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162165 57393813 1 BrSF3N3O4H17C23 ABC3D3E4F17G23 -246.74 9.63 -9.13 -1.24 0
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162166 57393815 1 FN2O4C29H33 AB2C4D29E33 -142.53 4.79 -8.46 -0.52 0
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162167 57393819 1 ClON4H17C22 ABC4D17E22 68.33 3.68 -8.94 -1.54 0
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162168 57393821 1 ON6H14C16 AB6C14D16 77.59 3.83 -9.07 -1.53 0
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162170 57393824 1 ClOF3N6H12C21 ABC3D6E12F21 -57.31 5.02 -9.13 -1.75 0