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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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335736 127254598 1 SF3O3N6H7C11 AB3C3D6E7F11 -119.78 4.47 -9.2 -2.18 0
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335737 127254599 1 O3N4C18H20 A3B4C18D20 -61.49 2.8 -9.16 -0.68 0
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335738 127254600 1 ON5C25H29 AB5C25D29 33.45 6.43 -8.25 -0.66 0
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335739 127254601 1 ON5C16H29 AB5C16D29 -19.61 4.97 -10.16 -0.54 0
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335740 127254602 1 O3N4C23H24 A3B4C23D24 -25.51 9.76 -7.98 -0.42 -2
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335741 127254603 1 CuCl2S2N4C36H46 AB2C2D4E36F46 131.19 9.79 0.0 0.0 0
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335742 127254604 1 O2N5C23H25 A2B5C23D25 23.25 4.63 -8.07 -1.03 0
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335743 127254605 1 O2N6H16C17 A2B6C16D17 82.9 1.49 -8.64 -1.23 0
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335744 127254606 1 O3N6C21H26 A3B6C21D26 -9.37 8.64 -8.31 -0.87 0
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335745 127254607 1 N3O6H23C27 A3B6C23D27 -147.54 3.28 -9.04 -1.18 0
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335746 127254608 1 S2O4N6C19H22 A2B4C6D19E22 -32.2 9.32 -8.48 -0.64 0
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335747 127254609 1 N3O3H17C20 A3B3C17D20 -43.82 1.31 -9.33 -1.08 0
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335748 127254610 1 SO2N7C12H17 AB2C7D12E17 12.43 4.46 -9.56 -1.18 0
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335749 127254611 1 ON5C18H21 AB5C18D21 44.01 1.93 -8.75 -0.69 0
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335750 127254612 1 O3N4C19H22 A3B4C19D22 -78.74 1.3 -9.17 -0.04 0
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335751 127254613 1 ON6C14H14 AB6C14D14 72.31 5.87 -9.56 -0.75 0
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335752 127254614 2 N2O2H9C10 A2B2C9D10 -100.36 7.98 -8.81 -0.93 0
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335753 127254615 2 Cl2N2O3C25H35 A2B2C3D25E35 -350.03 3.08 -8.51 0.05 0
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335754 127254616 1 ON4C15H22 AB4C15D22 -7.65 6.47 -8.79 0.52 0
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335755 127254617 1 SO3N5C23H31 AB3C5D23E31 -43.01 2.66 -8.33 -0.97 0
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335756 127254618 1 N2O5H28C35 A2B5C28D35 -0.08 6.96 -8.41 -0.7 0
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335757 127254619 1 ON8C21H30 AB8C21D30 61.64 10.5 -9.52 -1.15 0
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335758 127254620 1 ClFN3O5C36H47 ABC3D5E36F47 -235.45 7.02 -8.36 -0.04 0
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335759 127254621 1 N3O3C22H27 A3B3C22D27 -71.62 4.38 -8.0 0.12 0
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335760 127254622 1 O2F3N3H16C22 A2B3C3D16E22 -144.61 7.01 -8.43 -0.84 0
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335761 127254623 1 FSO2N3C18H18 ABC2D3E18F18 -60.42 3.09 -9.15 -1.03 0
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335762 127254624 1 ON7C19H27 AB7C19D27 45.49 8.14 -9.44 -0.65 0
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335763 127254625 1 BrSN2O2F4H23C31 ABC2D2E4F23G31 -160.91 7.64 -8.34 -0.98 0
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335764 127254626 1 ON4C22H28 AB4C22D28 3.7 2.85 -8.73 -0.14 0
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335765 127254627 1 FN3O3C23H28 AB3C3D23E28 -126.56 2.8 -8.29 -0.44 0
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335766 127254628 1 N3O4C18H23 A3B4C18D23 -148.5 4.1 -9.37 0.02 0
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335767 127254629 1 ON7C16H21 AB7C16D21 60.11 3.57 -9.14 -0.77 0
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335768 127254630 2 NO2Cl3C18H27 AB2C3D18E27 -265.31 4.69 -8.98 -0.41 0
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335769 127254631 1 N3O3C21H29 A3B3C21D29 -131.05 3.38 -9.46 0.21 0
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335770 127254632 1 SN3O7C24H25 AB3C7D24E25 -227.81 8.88 -9.02 -1.22 0
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335771 127254633 1 FO2N5H14C15 AB2C5D14E15 -47.03 2.75 -8.88 -1.18 0
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335772 127254634 1 ON6C20H20 AB6C20D20 97.4 11.53 -8.54 -0.98 0
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335774 127254636 1 N3O4H17C23 A3B4C17D23 -79.29 4.14 -8.83 -1.19 0
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335775 127254637 1 ClOS2N4C21H21 ABC2D4E21F21 34.94 8.51 -8.34 -0.85 0
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335776 127254638 1 NF3O3H24C35 AB3C3D24E35 -82.82 7.87 -8.66 -1.35 0
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335777 127254639 1 ClO3N4C18H23 AB3C4D18E23 -113.26 2.82 -8.58 -0.02 0
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335778 127254640 1 N4O4C19H26 A4B4C19D26 -144.51 5.42 -8.38 0.36 0
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335779 127254641 1 ON7C19H25 AB7C19D25 57.97 5.08 -9.16 -0.61 0
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335780 127254642 1 ClNSiC11H26 ABCD11E26 -74.52 4.17 -8.78 1.52 0
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335781 127254643 1 ClFN4O4H22C24 ABC4D4E22F24 -128.13 3.73 -9.05 -0.96 0
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335782 127254644 1 ON4C21H26 AB4C21D26 19.04 5.96 -8.68 -0.02 -2
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335783 127254645 1 CoCl2O2N4S4H22C30 AB2C2D4E4F22G30 258.13 42.14 0.0 0.0 0
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335784 127254646 1 SO4N5H17C21 AB4C5D17E21 -49.34 5.61 -9.54 -1.38 0
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335786 127254648 1 OSN4H16C18 ABC4D16E18 64.27 3.88 -8.24 -0.7 0
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335787 127254649 1 O2N3C23H29 A2B3C23D29 -52.27 6.65 -8.05 -0.02 0