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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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36652 8010329 1 OSN5C18H21 ABC5D18E21 49.72 9.48 -8.54 -0.18 0
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36653 8010342 1 FN2S2O3H13C19 AB2C2D3E13F19 -101.66 7.78 -8.8 -1.15 0
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36654 8010343 1 OSN5C15H23 ABC5D15E23 -20.99 6.9 -8.88 -0.28 0
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36655 8010344 1 FSN2O3C17H17 ABC2D3E17F17 -154.93 8.84 -8.9 -1.16 0
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36656 8010378 1 N2O5C20H22 A2B5C20D22 -137.85 3.74 -8.85 -0.83 0
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36657 8010379 1 OS2N6C14H14 AB2C6D14E14 76.29 4.97 -8.76 -0.51 0
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36658 8010382 1 NS2O6H15C17 AB2C6D15E17 -197.34 2.75 -9.03 -0.88 -2
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36659 8010407 1 NSH5O6C7 ABC5D6E7 -241.61 2.39 -10.37 -1.24 0
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36660 8010450 1 SN2O3C20H22 AB2C3D20E22 -67.04 4.35 -8.37 -0.4 0
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36661 8010472 1 NO3H13C16 AB3C13D16 -56.98 3.41 -8.51 -0.88 0
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36662 8010490 1 SN3O5H17C20 AB3C5D17E20 -41.34 6.21 -9.36 -1.4 0
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36663 8010500 1 OSN5C12H15 ABC5D12E15 20.9 5.47 -8.73 -0.41 0
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36664 8010504 1 SN4O4C20H22 AB4C4D20E22 -112.63 7.71 -9.35 -0.75 0
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36665 8010514 1 SO2N5C12H15 AB2C5D12E15 -10.24 3.18 -8.66 -0.16 0
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36666 8010570 1 ClNSO3H18C20 ABCD3E18F20 -47.83 4.91 -8.67 -1.09 0
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36667 8010580 1 N3O5H21C22 A3B5C21D22 -105.63 6.49 -9.09 -0.74 0
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36668 8010585 1 SN2O3C20H24 AB2C3D20E24 -94.81 2.86 -8.42 -0.56 0
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36669 8010623 1 OS2N3H17C19 AB2C3D17E19 52.58 5.42 -9.02 -0.95 0
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36670 8010643 1 O2N3C19H19 A2B3C19D19 -8.34 6.49 -9.27 -1.23 0
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36671 8010730 2 NO3H7C8 AB3C7D8 -117.07 3.67 -8.76 -1.03 0
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36672 8010733 1 OCl2N3C16H19 AB2C3D16E19 0.55 6.36 -9.6 -0.63 1
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36673 8010796 1 O3N4C19H21 A3B4C19D21 2.88 2.17 0.0 0.0 0
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36674 8010797 1 O3N4C19H20 A3B4C19D20 -19.37 2.81 -8.61 -1.22 0
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36675 8010825 1 OS2N5C18H19 AB2C5D18E19 45.05 5.57 -8.49 -0.49 0
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36676 8010828 1 NO5H21C23 AB5C21D23 -126.28 4.6 -8.8 -0.79 0
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36677 8010879 1 SN2O4C22H26 AB2C4D22E26 -144.28 8.43 -9.43 -0.51 0
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36678 8010946 1 O2N5C20H21 A2B5C20D21 -11.47 8.1 -8.98 -0.47 0
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36679 8010948 1 OSN5C11H19 ABC5D11E19 -8.59 6.19 -8.44 0.16 0
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36680 8010957 1 OSN5C11H19 ABC5D11E19 -7.08 5.18 -8.47 0.19 0
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36681 8010962 1 BrO6C18H19 AB6C18D19 -186.39 3.15 -8.43 -0.64 0
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36682 8011018 1 N3O5H21C22 A3B5C21D22 -135.87 7.0 -9.35 -1.05 0
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36683 8011049 1 INO4H10C14 ABC4D10E14 -21.13 2.45 -9.7 -1.33 0
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36684 8011054 1 SN3O3C19H19 AB3C3D19E19 -47.32 3.24 -9.13 -0.66 0
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36685 8011055 1 O3N5H13C16 A3B5C13D16 -10.31 6.93 -9.31 -0.84 0
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36686 8011074 1 SN3O3H17C21 AB3C3D17E21 14.84 3.48 -9.42 -1.14 0
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36687 8011131 1 SN5H13C16 AB5C13D16 141.32 4.07 -8.97 -1.0 0
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36688 8011142 1 SN3O5C20H25 AB3C5D20E25 -212.65 8.13 -9.56 -0.41 0
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36689 8011185 1 O2N5H13C14 A2B5C13D14 31.19 3.9 -8.77 -1.42 0
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36690 8011199 1 NO2F3C13H14 AB2C3D13E14 -238.48 4.0 -9.9 -0.71 0
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36691 8011235 1 NO5C20H23 AB5C20D23 -157.92 4.31 -8.78 -0.69 0
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36692 8011283 1 NO5H23C24 AB5C23D24 -137.75 4.45 -8.82 -0.17 0
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36693 8011327 2 NO3C7H9 AB3C7D9 -225.3 3.79 -8.61 -0.44 0
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36694 8011351 1 SO2N3H17C19 AB2C3D17E19 35.59 6.0 -9.16 -1.05 0
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36695 8011352 1 NSO6C21H25 ABC6D21E25 -221.66 2.07 -8.77 -0.04 0
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36696 8011375 1 FNO4C18H18 ABC4D18E18 -176.47 5.14 -8.82 -0.16 0
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36697 8011381 1 SN3O4C21H21 AB3C4D21E21 -61.51 8.18 -8.8 -1.12 0
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36698 8011397 1 SO2N3H19C21 AB2C3D19E21 -14.76 1.66 -8.66 -0.85 0
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36699 8011405 1 BrN2O3C13H17 AB2C3D13E17 -78.86 4.82 -9.21 -0.67 0
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36700 8011480 1 NO5C25H25 AB5C25D25 -132.73 8.19 -8.9 -0.8 0
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36701 8011486 2 O3H8C9 A3B8C9 -174.65 2.53 -8.74 -0.76 0
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36702 8011519 1 O3N4C22H26 A3B4C22D26 -51.27 6.85 -8.96 -0.24 0
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36703 8011567 1 N3O3H19C21 A3B3C19D21 65.86 4.47 -8.9 -1.59 0
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36704 8011577 1 FO2N5C19H20 AB2C5D19E20 -69.93 7.95 -8.46 -0.28 0
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36705 8011582 1 SN3O6C19H19 AB3C6D19E19 -208.0 7.04 -8.74 -1.66 0
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36706 8011585 1 SN5C12H13 AB5C12D13 96.45 5.14 -9.05 -0.41 0
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36707 8011602 1 NO5C22H25 AB5C22D25 -173.22 5.82 -8.83 -0.76 0
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36708 8011616 1 NO5C19H21 AB5C19D21 -172.35 2.2 -8.69 -0.07 0
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36709 8011621 1 SO2N4C20H22 AB2C4D20E22 20.62 3.9 -9.4 -1.06 0
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36710 8011661 1 NO4C22H27 AB4C22D27 -152.7 5.29 -8.78 -0.08 0
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36711 8011669 1 ClN3O3H16C21 AB3C3D16E21 26.93 3.6 -9.48 -1.08 0
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36712 8011683 1 NO4C19H27 AB4C19D27 -186.67 5.2 -9.02 -0.04 0
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36713 8011686 1 NO4C19H27 AB4C19D27 -186.81 6.29 -9.13 -0.18 0
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36714 8011687 1 NO4C19H27 AB4C19D27 -184.97 3.55 -8.95 0.03 0
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36715 8011689 1 N2O5C18H22 A2B5C18D22 -166.84 7.28 -9.05 -0.99 0
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36716 8011756 1 N3O3H15C17 A3B3C15D17 -51.3 2.64 -8.76 -1.39 0
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36717 8011779 1 O6H20C21 A6B20C21 -204.8 7.2 -9.09 -1.14 0
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36718 8011781 1 N2O5C22H26 A2B5C22D26 -153.94 3.4 -8.27 0.05 0
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36719 8011783 1 ON2S2H20C23 AB2C2D20E23 49.87 3.94 -8.95 -0.75 0
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36720 8011787 1 NO3H17C18 AB3C17D18 -77.03 3.42 -8.28 -0.25 0
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36721 8011800 1 SN2O6C19H22 AB2C6D19E22 -216.16 4.4 -8.71 -0.68 0
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36722 8011831 1 NO4C21H25 AB4C21D25 -148.49 4.67 -9.05 -0.09 0
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36723 8011832 1 N2O5C21H22 A2B5C21D22 -138.85 5.55 -8.82 -0.78 0
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36724 8011876 1 SN3O5C15H25 AB3C5D15E25 -246.76 5.23 -10.21 0.05 0
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36725 8011891 1 OS2N5H15C17 AB2C5D15E17 104.22 3.61 -8.18 -0.85 0
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36726 8011899 1 NO5C21H25 AB5C21D25 -174.2 4.58 -8.53 -0.88 0
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36727 8011901 1 N2O5C17H22 A2B5C17D22 -202.03 3.23 -8.67 0.33 0
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36728 8011923 1 NF3O5H16C18 AB3C5D16E18 -316.8 7.93 -9.12 -1.1 0
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36729 8011925 1 ClNO4C19H20 ABC4D19E20 -143.97 5.72 -9.04 -0.25 0
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36730 8011926 1 O2N3H25C26 A2B3C25D26 4.34 7.97 -8.53 -0.42 0
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36731 8011928 1 NO7C19H19 AB7C19D19 -238.2 8.15 -9.1 -1.07 1
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36732 8011982 1 ClN2O3C18H20 AB2C3D18E20 -36.35 6.84 0.0 0.0 0
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36733 8012003 1 NO4C16H21 AB4C16D21 -147.96 5.84 -9.19 -0.18 0
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36734 8012006 2 NO3C11H13 AB3C11D13 -210.38 2.01 -8.65 -0.55 0
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36735 8012007 1 SN2O3C13H18 AB2C3D13E18 -81.97 2.53 -8.53 -0.63 0
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36736 8012008 1 NO5H17C18 AB5C17D18 -153.27 4.01 -8.78 -1.2 0
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36737 8012028 1 NO6H19C24 AB6C19D24 -151.67 7.53 -9.09 -1.26 0
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36738 8012035 1 N2O6C21H24 A2B6C21D24 -211.72 5.83 -8.86 -0.98 1
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36739 8012036 1 ON5C23H28 AB5C23D28 77.81 7.17 0.0 0.0 0
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36740 8012037 1 ON5C23H27 AB5C23D27 54.87 5.85 -8.76 -0.45 0
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36741 8012038 1 SN2O5C21H26 AB2C5D21E26 -160.28 4.88 -8.85 -0.62 0
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36742 8012039 1 ClO2S2N4H13C15 AB2C2D4E13F15 41.97 5.26 -9.0 -1.29 0
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36743 8012040 1 NSO5H19C20 ABC5D19E20 -115.36 4.03 -8.8 -0.91 0
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36744 8012057 2 OSN2H5C8 ABC2D5E8 48.75 1.61 -8.8 -1.39 0
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36745 8012060 1 NF3O3H16C17 AB3C3D16E17 -251.4 6.53 -9.1 -0.66 0
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36746 8012126 2 O2H7C8 A2B7C8 -106.15 2.49 -9.14 -0.78 0
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36747 8012127 1 SO2N3C13H13 AB2C3D13E13 -1.15 2.59 -9.66 -1.39 0
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36748 8012142 1 SO3N5H15C16 AB3C5D15E16 19.33 3.39 -8.62 -1.19 0
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36749 8012146 1 FNO5H14C17 ABC5D14E17 -191.51 4.81 -8.77 -1.2 0
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36750 8012157 1 O6H14C17 A6B14C17 -168.16 4.65 -9.03 -0.62 0
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36751 8012192 1 O2N5C22H23 A2B5C22D23 1.59 5.53 -8.59 -1.43 0