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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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53102 14709578 2 SC4H6 AB4C6 12.56 2.16 -8.41 -0.4 0
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53103 14709579 1 NO3H19C24 AB3C19D24 -31.65 5.67 -8.64 -0.36 0
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53104 14709581 1 NO2H21C24 AB2C21D24 -1.28 5.01 -8.39 -0.08 0
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53105 14709584 1 NOC25H25 ABC25D25 45.23 1.39 -8.39 0.25 0
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53106 14709585 1 NOC25H25 ABC25D25 44.33 2.49 -8.12 0.2 0
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53107 14709586 1 NH25C26 AB25C26 107.58 1.59 -8.19 0.25 0
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53108 14709593 1 NOH23C25 ABC23D25 65.82 2.29 -8.42 0.09 0
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53109 14709594 1 NOH23C25 ABC23D25 63.35 3.23 -8.28 0.02 0
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53110 14709598 1 AgNSO7C25H34 ABCD7E25F34 -334.02 18.61 -8.97 -3.86 0
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53111 14709599 1 OSCl2N3H7C9 ABC2D3E7F9 24.07 4.46 -9.27 -1.0 0
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53112 14709601 1 SCl2N3O3H11C16 AB2C3D3E11F16 -32.98 4.59 -9.17 -1.49 0
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53113 14709602 1 SN3O3H15C17 AB3C3D15E17 -28.7 3.2 -8.97 -1.25 0
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53114 14709603 1 SO2N3H15C18 AB2C3D15E18 15.36 2.83 -8.89 -1.16 0
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53115 14709605 1 SO2N3H13C17 AB2C3D13E17 25.98 1.91 -9.04 -1.23 0
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53116 14709606 2 ClOSN2H5C6 ABCD2E5F6 -7.24 5.93 -9.01 -1.53 0
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53117 14709614 1 O2S2Cl3N4H11C18 A2B2C3D4E11F18 64.96 6.34 -8.92 -1.98 0
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53118 14709616 1 NSCl2O2H5C9 ABC2D2E5F9 -20.18 2.91 -9.45 -1.51 0
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53119 14709617 1 ClNO2C16H16 ABC2D16E16 -55.59 3.74 -9.5 -0.39 0
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53120 14709618 1 NCl2O2H15C16 AB2C2D15E16 -66.4 2.42 -9.45 -0.55 0
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53121 14709620 1 NOCl2H13C16 ABC2D13E16 -13.02 3.08 -9.4 -0.26 0
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53122 14709623 1 ClN3H16C18 AB3C16D18 76.25 7.37 -9.6 -0.41 0
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53123 14709624 1 NOC9H17 ABC9D17 -20.04 1.61 -9.16 1.24 0
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53124 14709625 1 NO2C12H21 AB2C12D21 -74.85 2.87 -9.55 1.0 0
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53125 14709626 1 NO2C16H21 AB2C16D21 -32.01 5.95 -9.24 -0.24 0
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53126 14709627 1 NO2C12H23 AB2C12D23 -99.17 3.38 -9.27 1.28 0
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53127 14709628 1 NO2C16H23 AB2C16D23 -58.87 3.17 -9.3 -0.1 0
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53128 14709629 1 NOC18H19 ABC18D19 -7.61 2.64 -8.73 -0.05 0
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53129 14709630 1 NOH15C20 ABC15D20 39.65 2.75 -8.67 -0.17 0
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53130 14709632 1 NSH13C15 ABC13D15 68.19 4.23 -8.47 -0.72 0
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53131 14709633 1 NSH15C16 ABC15D16 64.04 4.07 -8.43 -0.69 0
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53132 14709634 1 NSH11C14 ABC11D14 70.22 3.93 -8.51 -0.74 0
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53133 14709635 1 NSH13C15 ABC13D15 65.4 3.79 -8.48 -0.73 0
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53134 14709636 1 NC16H17 AB16C17 44.63 2.06 -8.2 0.41 0
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53135 14709638 1 NOC19H23 ABC19D23 -7.89 0.6 -8.01 0.07 0
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53136 14709639 1 NSC19H23 ABC19D23 31.45 0.76 -8.1 0.06 0
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53137 14709640 1 NC18H19 AB18C19 39.64 1.79 -8.01 0.16 0
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53138 14709641 1 NOC18H19 ABC18D19 1.81 1.09 -8.14 0.04 0
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53139 14709643 1 NH13C15 AB13C15 69.09 2.81 -8.93 -0.49 0
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53140 14709644 1 NC18H19 AB18C19 54.39 2.9 -8.91 -0.48 0
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53141 14709646 1 NH13C15 AB13C15 68.25 1.76 -9.21 -0.38 0
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53142 14709648 1 NOC19H21 ABC19D21 -15.55 1.6 -8.18 0.08 0
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53143 14709649 1 Cl3H7C8 A3B7C8 16.23 2.59 -9.28 -0.36 0
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53144 14709650 1 CMgBr2H2 ABC2D2 16.83 0.69 -7.8 -1.61 0
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53145 14709653 1 BF4C12H15 AB4C12D15 -296.18 1.81 -9.24 -0.13 0
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53146 14709655 2 C6H7 A6B7 37.59 0.82 -8.28 0.25 1
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53147 14709658 1 O2H11C12 A2B11C12 -26.11 1.89 0.0 0.0 -2
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53148 14709660 2 BF4H6C7 AB4C6D7 -576.19 6.17 -11.84 -3.25 0
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53149 14709661 1 NOSiC13H21 ABCD13E21 -44.1 1.41 -8.11 0.21 0
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53150 14709664 1 N6C11H18 A6B11C18 71.08 7.67 -9.02 -0.66 0
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53151 14709665 1 ON6C8H10 AB6C8D10 30.01 8.7 -9.46 -0.79 0
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53152 14709669 1 NO2C29H29 AB2C29D29 13.71 5.37 -8.14 -0.08 0
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53153 14709672 1 NO2F3H28C30 AB2C3D28E30 -142.68 7.17 -8.38 -0.25 0
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53154 14709674 1 N2O3C33H36 A2B3C33D36 -18.91 6.4 -8.39 -0.11 0
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53155 14709676 1 NOSC9H11 ABCD9E11 15.04 0.64 -8.66 -0.46 0
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53156 14709677 1 NSC11H11 ABC11D11 47.14 0.98 -8.45 -0.42 0
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53157 14709678 1 NSC12H13 ABC12D13 36.7 1.71 -8.27 -0.33 0
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53158 14709679 1 NSC13H15 ABC13D15 29.81 1.58 -8.29 -0.31 0
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53159 14709680 1 NSC13H13 ABC13D13 65.65 0.34 -8.64 -0.48 0
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53160 14709681 1 NOSC10H13 ABCD10E13 12.39 2.65 -8.73 -0.37 0
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53161 14709682 1 NOSC11H15 ABCD11E15 4.23 2.2 -8.61 -0.39 0
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53162 14709683 1 NSC12H13 ABC12D13 37.97 0.72 -8.44 -0.31 0
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53163 14709685 1 NSC14H15 ABC14D15 56.42 1.04 -8.64 -0.37 0
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53164 14709686 1 NSC15H17 ABC15D17 49.32 1.45 -8.32 -0.21 0
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53165 14709687 1 SO3C9H18 AB3C9D18 -162.13 2.82 -8.87 0.56 0
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53166 14709688 1 SO2C7H12 AB2C7D12 -106.05 3.17 -9.28 0.07 0
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53167 14709689 1 SN2O2C13H16 AB2C2D13E16 -33.37 3.62 -8.91 -0.94 0
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53168 14709691 1 OSN4C12H12 ABC4D12E12 50.87 1.78 -9.03 -1.43 0
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53169 14709692 1 ClS2H11C13 AB2C11D13 27.58 1.63 -8.4 -0.81 0
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53170 14709694 1 O3N4H14C16 A3B4C14D16 0.88 4.73 -8.47 -1.32 0
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53171 14709696 1 ClO2N4H11C15 AB2C4D11E15 30.72 6.34 -9.03 -1.44 0
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53172 14709697 1 ClO2N4H11C15 AB2C4D11E15 30.48 7.51 -9.26 -1.46 0
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53173 14709698 1 O4N5H11C15 A4B5C11D15 37.7 10.79 -9.63 -1.5 0
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53174 14709699 1 O4N5H11C15 A4B5C11D15 33.86 8.98 -9.8 -1.64 0
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53175 14709702 1 ClO2N4H11C15 AB2C4D11E15 14.61 8.71 -8.92 -1.32 0
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53176 14709703 1 ClO2N4H11C15 AB2C4D11E15 14.56 9.41 -9.08 -1.4 0