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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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401724 135052288 1 Cl2N3C6H12 A2B3C6D12 11.97 1.64 0.0 0.0 0
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401725 135052289 1 ClN2O2H11C13 AB2C2D11E13 -28.17 2.84 -9.28 -1.34 0
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401726 135052290 2 NOC7H7 ABC7D7 -22.78 3.46 -9.61 -0.72 0
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401727 135052292 1 Cl2N3H9C15 A2B3C9D15 110.22 3.79 -9.34 -1.18 0
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401728 135052293 1 O2N3C13H13 A2B3C13D13 17.81 4.1 -9.22 -0.55 0
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401729 135052295 1 BrN3O3H14C15 AB3C3D14E15 -19.82 3.79 -8.5 -0.87 0
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401730 135052296 1 O8C13H18 A8B13C18 -367.27 4.59 -10.37 0.24 0
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401731 135052304 1 ClN3H14C19 AB3C14D19 102.91 6.26 -8.37 -0.93 0
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401732 135052305 1 N2O4C19H22 A2B4C19D22 -121.95 4.4 -8.56 -0.62 0
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401733 135052316 1 BrLiN2C4H4 ABC2D4E4 24.95 4.23 -8.03 0.61 0
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401734 135052343 1 SN2O4C13H14 AB2C4D13E14 -47.52 6.76 -8.44 -1.23 1
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401735 135052344 1 ON2H11C12 AB2C11D12 71.58 1.47 0.0 0.0 0
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401736 135052354 1 OPCl2N3H28C32 ABC2D3E28F32 95.13 13.55 -7.77 -2.01 0
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401737 135052371 2 NOC2H3 ABC2D3 -54.79 4.7 -9.52 -0.53 1
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401738 135052374 1 N4H13C19 A4B13C19 171.29 3.8 0.0 0.0 -1
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401739 135052388 1 NO2H6C7 AB2C6D7 50.8 5.29 0.0 0.0 0
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401740 135052391 1 ClN2O2H13C14 AB2C2D13E14 -36.73 4.43 -9.17 -1.01 0
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401741 135052394 1 SN2O3H16C18 AB2C3D16E18 20.7 4.91 -8.35 -1.21 1
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401742 135052396 1 ON2S2C13H15 AB2C2D13E15 9.17 4.94 0.0 0.0 0
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401743 135052401 1 N3S3O5C11H13 A3B3C5D11E13 -45.0 3.18 -8.9 -1.46 0
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401744 135052402 1 BrNS3H8C9 ABC3D8E9 83.67 3.63 -8.29 -1.55 0
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401745 135052403 1 HNC2Cl2S2 ABC2D2E2 50.68 3.26 -8.98 -1.53 0
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401746 135052404 1 P2C17H18 A2B17C18 32.03 0.82 -8.26 0.22 0
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401747 135052412 1 SN2O3H12C13 AB2C3D12E13 -40.55 4.3 -9.54 -0.72 0
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401748 135052421 1 SeN3H17C18 AB3C17D18 102.95 1.28 -8.41 -0.58 0
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401749 135052422 2 NTeO2H12C14 ABC2D12E14 -80.69 6.57 -7.42 -0.58 0
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401750 135052423 1 NOTeCl3C9H10 ABCD3E9F10 -93.54 4.42 -9.95 -2.59 0
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401751 135052424 1 NOSC8H9 ABCD8E9 22.47 4.82 -8.75 -0.51 0
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401752 135052436 1 O8H22C29 A8B22C29 -177.78 6.83 -9.89 -0.89 0
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401753 135052441 1 SN3C15H27 AB3C15D27 -3.61 1.26 -8.6 -0.02 1
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401754 135052442 1 NSO2C13H16 ABC2D13E16 -60.74 5.9 0.0 0.0 0
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401755 135052443 1 SN2O6C11H16 AB2C6D11E16 -239.81 5.15 -9.3 -1.1 -1
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401756 135052445 1 P2C11H13 A2B11C13 49.15 0.45 0.0 0.0 0
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401757 135052447 1 CoO3S3N6C36H45 AB3C3D6E36F45 -73.44 23.16 -9.51 -4.27 0
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401758 135052454 1 OSeN3C12H17 ABC3D12E17 22.12 3.96 -9.0 -0.84 0
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401759 135052461 1 NSH3O3C4 ABC3D3E4 -76.0 1.74 -9.74 -1.06 1
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401760 135052463 1 C2S2N3H4 A2B2C3D4 11.41 3.64 0.0 0.0 0
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401761 135052466 1 N3S3O5C13H17 A3B3C5D13E17 -57.24 7.79 -9.0 -1.6 0
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401762 135052467 1 NPSi4C18H40 ABC4D18E40 -419.1 2.92 -7.96 0.35 0
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401763 135052468 1 LiN2O2H21C27 AB2C2D21E27 49.8 4.99 -7.38 -0.31 0
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401764 135052469 1 N2O2H22C27 A2B2C22D27 55.26 3.23 -8.3 -0.67 0
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401765 135052473 1 LiSeN2O2C14H15 ABC2D2E14F15 -59.57 4.87 -8.4 -0.47 0
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401766 135052474 1 SeN2O2C14H16 AB2C2D14E16 -30.09 1.39 -8.9 -0.52 0
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401767 135052475 1 ClOPSiS2C26H26 ABCDE2F26G26 -99.52 3.8 -8.91 -0.85 1
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401768 135052478 1 NS2H14C16 AB2C14D16 76.22 4.31 0.0 0.0 0
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401769 135052479 1 BSH2C3N3F4 ABC2D3E3F4 -198.21 3.6 -8.96 -0.82 0
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401770 135052482 1 SeN2C9H10 AB2C9D10 38.18 4.01 -8.58 -0.61 0
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401771 135052490 1 LiSeN2O2C14H15 ABC2D2E14F15 13.55 22.5 -6.75 -1.77 0
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401772 135052492 1 LiSeN2O2H17C19 ABC2D2E17F19 1.83 8.57 -8.11 -0.06 0
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401773 135052493 1 SeN2O2H18C19 AB2C2D18E19 12.65 2.01 -9.1 -0.54 0
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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