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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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335685 127254547 1 ON6C11H16 AB6C11D16 55.39 3.39 -8.88 -0.56 0
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335686 127254548 1 N2O2F3C20H23 A2B2C3D20E23 -222.4 6.82 -8.19 -0.69 0
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335687 127254549 1 O4N5H23C27 A4B5C23D27 -74.48 4.25 -8.46 -1.02 0
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335688 127254550 1 SN2O2H20C24 AB2C2D20E24 7.13 4.59 -8.78 -1.51 0
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335689 127254551 1 ClO3N4C26H29 AB3C4D26E29 -99.11 7.96 -8.84 -0.35 0
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335690 127254552 1 SO2N6C21H22 AB2C6D21E22 48.28 9.39 -9.12 -0.93 0
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335691 127254553 1 ON6C14H20 AB6C14D20 44.84 7.42 -10.36 -0.41 0
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335692 127254554 1 O3N5H19C22 A3B5C19D22 -16.46 2.48 -9.42 -1.22 0
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335693 127254555 1 O3N5C25H29 A3B5C25D29 -86.15 3.94 -8.91 -0.79 0
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335694 127254556 1 ClSN3O3C22H24 ABC3D3E22F24 -81.78 5.26 -8.09 -0.31 0
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335695 127254557 1 ON4C22H28 AB4C22D28 4.41 6.21 -8.76 -0.07 0
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335696 127254558 1 Cl2N4O5H26C30 A2B4C5D26E30 -140.35 8.72 -8.7 -1.76 0
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335697 127254559 1 N2O2C25H30 A2B2C25D30 -51.02 6.29 -8.34 0.01 0
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335698 127254560 1 O3N4C26H30 A3B4C26D30 -46.08 8.43 -8.95 -1.19 0
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335699 127254561 1 O4N6H22C27 A4B6C22D27 -27.27 2.28 -8.89 -1.16 0
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335700 127254562 1 SN2O6C14H20 AB2C6D14E20 -203.98 9.62 -9.38 -0.79 0
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335701 127254563 2 N2O2C9H9 A2B2C9D9 -100.58 12.76 -8.84 -0.81 0
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335702 127254564 1 SN4O5C13H20 AB4C5D13E20 -157.88 8.21 -8.65 -0.69 0
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335703 127254565 1 SO3N6C16H22 AB3C6D16E22 -35.74 7.61 -8.47 -0.73 0
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335704 127254566 1 SO2N7C19H21 AB2C7D19E21 67.02 7.13 -8.08 -0.85 0
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335705 127254567 2 SN2O2C12H12 AB2C2D12E12 -64.31 12.52 -8.13 -0.58 0
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335706 127254568 1 N4O4H20C21 A4B4C20D21 -5.12 8.59 -8.78 -1.12 0
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335707 127254569 1 O3N5C16H21 A3B5C16D21 -50.33 5.43 -8.65 -0.93 0
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335708 127254570 2 ON2C9H11 AB2C9D11 -35.4 3.55 -8.73 -0.45 0
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335709 127254571 2 OSN2C9H10 ABC2D9E10 -12.63 4.93 -8.62 -0.83 0
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335710 127254572 1 N3O5H25C28 A3B5C25D28 -113.73 4.12 -8.36 -0.98 0
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335711 127254573 1 O3N5C24H29 A3B5C24D29 -48.54 2.03 -8.44 -0.7 0
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335712 127254574 1 ClSO3N5H20C24 ABC3D5E20F24 -27.24 8.28 -8.49 -1.22 0
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335713 127254575 1 O2N6C19H24 A2B6C19D24 26.73 5.86 -9.65 -0.74 0
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335714 127254576 1 N4O5C12H14 A4B5C12D14 -130.48 8.57 -8.59 -0.95 0
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335715 127254577 1 SO4N5C14H17 AB4C5D14E17 -68.46 5.68 -9.28 -0.81 0
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335716 127254578 1 ClNSO4H10C14 ABCD4E10F14 -115.82 6.89 -8.75 -1.04 0
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335717 127254579 1 N3O4C24H29 A3B4C24D29 -115.13 2.7 -8.17 -0.75 0
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335718 127254580 1 ON5C18H21 AB5C18D21 38.8 5.41 -8.79 -0.78 0
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335719 127254581 1 N4O7H24C25 A4B7C24D25 -133.64 7.26 -8.94 -1.35 0
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335720 127254582 1 ClFNO4H23C34 ABCD4E23F34 -63.05 6.55 -8.68 -1.38 0
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335721 127254583 1 ON4C21H28 AB4C21D28 -7.97 1.79 -8.83 -0.22 0
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335722 127254584 1 N3O4C21H29 A3B4C21D29 -175.72 3.26 -9.06 -0.32 0
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335723 127254585 1 O4N5C17H17 A4B5C17D17 -48.54 5.89 -8.75 -1.24 0
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335724 127254586 3 NOC8H9 ABC8D9 -58.64 6.74 -8.15 -0.33 0
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335725 127254587 1 ON7C21H23 AB7C21D23 94.86 7.0 -9.39 -0.57 0
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335726 127254588 1 N2O5C25H26 A2B5C25D26 -121.45 6.37 -8.52 -0.53 0
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335727 127254589 1 O3N5C15H19 A3B5C15D19 -24.21 8.19 -9.04 -0.49 0
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335728 127254590 1 SO2N3H17C20 AB2C3D17E20 -3.54 5.16 -8.22 -0.66 0
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335729 127254591 1 Cl2N4H12C15 A2B4C12D15 99.38 3.69 -10.02 -1.18 0
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335730 127254592 1 O2N3C23H25 A2B3C23D25 -24.76 6.11 -8.32 -0.31 0
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335731 127254593 1 SO3N5C12H21 AB3C5D12E21 -74.39 7.31 -10.79 -0.88 0
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335732 127254594 1 N2O5H28C35 A2B5C28D35 -72.95 2.66 -8.66 -0.44 0
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335734 127254596 1 SO3N6C19H22 AB3C6D19E22 13.59 3.64 -8.72 -1.03 0
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335735 127254597 1 ON6C15H18 AB6C15D18 70.41 10.09 -8.95 -1.3 0
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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