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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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401774 135052498 1 N2S2O4H6C9 A2B2C4D6E9 -92.01 3.33 -10.14 -1.8 0
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401775 135052499 1 BrNSO2C20H20 ABCD2E20F20 -27.49 8.74 -7.64 -1.19 0
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401776 135052504 1 ON2H14C15 AB2C14D15 47.68 3.1 -8.31 -0.35 0
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401777 135052511 1 OTeBr3H9C10 ABC3D9E10 -4.23 4.56 -9.13 -2.22 0
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401778 135052517 1 SeO2N3H11C16 AB2C3D11E16 72.88 2.8 -8.61 -1.45 0
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401779 135052534 2 BrNOTeH9C13 ABCDE9F13 7.98 2.59 -7.64 -1.14 0
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401780 135052536 1 ClOPSiS2C20H22 ABCDE2F20G22 -138.14 8.03 -7.9 -0.93 0
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401781 135052540 1 OSN2H12C15 ABC2D12E15 45.62 3.8 -8.29 -0.43 0
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401782 135052548 1 N4O4C11H14 A4B4C11D14 -51.98 11.37 -8.77 -0.97 0
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401783 135052553 1 NaOSN2C7H7 ABCD2E7F7 -68.49 6.39 -7.49 0.11 0
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401784 135052559 1 N2S3O4H14C17 A2B3C4D14E17 -55.44 5.31 -8.82 -1.76 1
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401785 135052561 1 N2C16H19 A2B16C19 34.07 3.07 0.0 0.0 0
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401786 135052568 1 N2O4C19H20 A2B4C19D20 -86.78 7.81 -9.46 -0.7 0
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401787 135052573 1 FNPCl3H24C33 ABCD3E24F33 58.08 3.65 -9.38 -0.7 0
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401788 135052575 1 SeN3C13H17 AB3C13D17 63.68 3.39 -8.65 -0.64 0
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401789 135052597 1 ClOSeN2C8H9 ABCD2E8F9 26.25 8.14 -7.65 -0.49 0
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401790 135052615 1 SN2O2C15H20 AB2C2D15E20 -68.77 3.36 -9.27 -0.28 0
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401791 135052618 1 ClLiON2H16C21 ABCD2E16F21 29.55 5.91 -7.4 -1.44 0
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401792 135052623 1 NOSeH11C15 ABCD11E15 20.72 4.49 -8.7 -0.66 0
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401793 135052630 1 NSLi2H5C6 ABC2D5E6 -34.9 6.71 -7.52 1.0 0
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401794 135052631 1 ClNOC3H6 ABCD3E6 -59.16 4.4 -10.57 0.18 0
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401795 135052634 1 N2O3C18H18 A2B3C18D18 -40.3 2.13 -8.44 -0.34 0
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401796 135052640 1 SeN2O2H16C18 AB2C2D16E18 37.17 3.62 -8.44 -1.05 0
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401797 135052642 1 NSTeO3C16H17 ABCD3E16F17 102.16 3.85 -7.91 -1.03 0
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401798 135052643 1 ClNOPSiS2C24H29 ABCDEF2G24H29 -175.61 4.91 -8.78 -0.66 0
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401799 135052644 1 NSC4O4H5 ABC4D4E5 -69.51 5.4 -10.53 -0.93 0
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401800 135052661 1 BrSeN2C6H7 ABC2D6E7 57.26 5.64 -7.75 -0.84 0
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401801 135052663 1 NPCl4H24C33 ABC4D24E33 97.55 3.63 -9.36 -0.73 0
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401802 135052672 1 FS4O7C8H9 AB4C7D8E9 -300.21 2.82 -9.21 -1.58 0
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401803 135052677 1 BrSN2O3C14H19 ABC2D3E14F19 -77.52 8.89 -7.72 -1.32 0
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401804 135052678 1 NaSO2N3C18H20 ABC2D3E18F20 -32.34 5.85 -7.45 0.06 0
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401805 135052683 1 SN2O2C16H22 AB2C2D16E22 -42.88 5.65 -8.95 -0.42 0
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401806 135052687 1 BrClPN2O2H29C32 ABCD2E2F29G32 42.15 3.44 -8.93 -0.52 0
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401807 135052689 1 SN3C11H13 AB3C11D13 74.39 3.88 -8.8 -0.63 0
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401808 135052702 1 NO3C7H13 AB3C7D13 -115.14 2.23 -9.82 -0.04 0
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401809 135052703 1 NO2S2C17H17 AB2C2D17E17 -10.54 9.54 -8.58 -1.59 0
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401810 135052706 1 N3O6H9C14 A3B6C9D14 18.61 5.03 -10.24 -2.19 0
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401811 135052728 1 N3O6C15H17 A3B6C15D17 -109.82 4.88 -9.99 -1.96 0
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401812 135052729 1 PSN2O5C19H25 ABC2D5E19F25 -216.75 8.43 -8.88 -0.24 0
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401813 135052734 1 O3H16C17 A3B16C17 -52.69 3.25 -8.92 -0.24 0
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401814 135052736 1 NaSO2N3C18H20 ABC2D3E18F20 42.13 13.93 -6.64 -1.63 0
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401815 135052751 1 N4O4C13H18 A4B4C13D18 33.15 7.75 -9.98 -1.74 0
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401816 135052754 2 NOC9H9 ABC9D9 37.71 5.56 -8.89 -0.78 0
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401817 135052756 2 ClNO2C5H5 ABC2D5E5 -117.81 7.61 -8.72 -1.68 0
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401818 135052761 1 N3O8C10H11 A3B8C10D11 -88.62 4.23 -10.24 -2.46 0
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401819 135052764 1 N2O2H20C21 A2B2C20D21 38.91 4.12 -9.18 -0.53 1
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401820 135052770 1 ON2C5H7 AB2C5D7 26.18 2.82 0.0 0.0 0
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401821 135052776 1 ClNOS2H8C11 ABCD2E8F11 44.47 4.2 -9.42 -1.73 0
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401822 135052777 1 ClON4H7C9 ABC4D7E9 80.9 3.94 -9.77 -1.34 0
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401823 135052780 2 NO2C5H6 AB2C5D6 -100.97 6.07 -8.65 -1.34 0