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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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133711 51577921 1 SO3N4C28H28 AB3C4D28E28 -48.94 7.19 -8.7 -0.73 0
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133712 51578613 1 N3O6H23C26 A3B6C23D26 -55.78 7.68 -8.76 -1.41 -1
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133713 51578671 1 ClON2H16C17 ABC2D16E17 35.4 5.93 0.0 0.0 0
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133714 51578672 1 ClN2O5H25C27 AB2C5D25E27 -133.86 5.26 -8.57 -0.74 0
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133715 51579284 1 ClSN2O3C12H15 ABC2D3E12F15 -130.67 0.94 -8.88 -0.18 0
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133716 51579581 1 ClN3O5H16C21 AB3C5D16E21 -62.32 8.48 -9.14 -1.32 0
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133717 51579800 1 N3O4C19H19 A3B4C19D19 -99.23 8.72 -9.67 -1.35 -1
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133718 51580048 1 NSO5H18C20 ABC5D18E20 -105.56 5.67 0.0 0.0 -1
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133719 51580840 1 N2O3C15H23 A2B3C15D23 -92.62 4.21 0.0 0.0 0
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133720 51581373 1 OCl2N4H14C17 AB2C4D14E17 29.65 5.1 -9.25 -1.2 0
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133721 51582178 1 OSN6H18C20 ABC6D18E20 101.26 1.35 -9.31 -1.15 0
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133722 51582339 1 N3O4H17C21 A3B4C17D21 -28.29 5.78 -8.87 -0.95 0
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133723 51582919 1 SN3C21H29 AB3C21D29 46.15 5.31 -8.25 0.04 0
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133724 51583150 1 FSO3N4C18H19 ABC3D4E18F19 -93.8 3.23 -9.01 -0.62 -1
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133725 51583463 1 N3O4H8C11 A3B4C8D11 40.05 9.78 0.0 0.0 1
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133726 51584061 1 N2O3C23H37 A2B3C23D37 -98.39 2.15 0.0 0.0 0
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133727 51584062 1 N2O3C23H36 A2B3C23D36 -126.42 1.29 -8.58 0.35 2
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133728 51584063 1 O2N3C23H41 A2B3C23D41 59.01 6.0 -2.16 -0.39 0
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133729 51584064 1 O2N3C23H39 A2B3C23D39 -73.26 2.88 -8.46 0.02 2
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133730 51584065 1 O2N3C23H41 A2B3C23D41 55.27 3.53 -2.22 -0.45 0
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133731 51584066 1 O2N3C23H39 A2B3C23D39 -72.9 3.22 -8.35 0.14 0
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133732 51584067 1 O2N3C22H27 A2B3C22D27 -40.74 2.01 -9.06 -0.87 0
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133733 51584068 1 SN3O4C17H25 AB3C4D17E25 -163.8 5.14 -9.26 -0.35 0
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133734 51584069 1 SN3O4C17H25 AB3C4D17E25 -162.43 3.77 -9.23 -0.26 1
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133735 51584554 1 O3N5C23H30 A3B5C23D30 18.47 10.01 0.0 0.0 0
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133736 51584607 2 ON2C9H12 AB2C9D12 -12.87 6.06 -8.72 -0.64 1
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133737 51584768 1 SO4N5C19H22 AB4C5D19E22 -78.61 5.98 0.0 0.0 1
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133738 51584807 1 ClO2N5C20H23 AB2C5D20E23 20.36 9.22 0.0 0.0 0
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133739 51585179 1 SN4O6C19H20 AB4C6D19E20 -155.97 6.34 -9.31 -1.12 1
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133740 51585218 1 N6C18H29 A6B18C29 67.17 1.99 0.0 0.0 1
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133741 51585438 3 NC6H10 AB6C10 35.07 2.3 0.0 0.0 0
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133742 51585599 1 SN2O3C24H32 AB2C3D24E32 -103.36 3.61 -9.16 -1.02 1
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133743 51585671 1 N3C21H28 A3B21C28 88.02 3.5 0.0 0.0 1
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133744 51585700 1 N2O3C25H35 A2B3C25D35 -87.74 3.26 0.0 0.0 1
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133745 51585701 1 N2O3C25H35 A2B3C25D35 -86.84 2.11 0.0 0.0 1
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133746 51585890 1 O2N4C18H19 A2B4C18D19 -2.89 4.73 0.0 0.0 0
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133747 51585976 1 O2N4C21H24 A2B4C21D24 17.28 7.52 -8.97 -0.3 0
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133748 51585977 1 SO2N3C17H23 AB2C3D17E23 -49.73 7.28 -9.03 0.28 0
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133749 51585995 1 N2O2C19H24 A2B2C19D24 -64.64 4.82 -8.6 -0.2 1
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133750 51586014 1 ClON3C20H25 ABC3D20E25 8.02 5.65 0.0 0.0 1
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133751 51586015 1 ClO2N3C16H21 AB2C3D16E21 -55.3 4.99 0.0 0.0 0
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133752 51586016 1 O2N4C23H26 A2B4C23D26 -18.54 4.17 -8.81 -0.95 0
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133753 51586017 1 O2N4C23H26 A2B4C23D26 -17.1 4.22 -8.79 -0.88 0
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133754 51586356 3 NOC8H11 ABC8D11 -103.75 4.52 -8.62 -0.33 2
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133755 51586432 1 FN2O2C19H27 AB2C2D19E27 -78.43 3.15 -8.93 0.13 2
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133756 51586433 1 FN2O2C19H27 AB2C2D19E27 -77.0 1.86 -9.11 -0.05 0
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133757 51586744 1 S2N3C16H17 A2B3C16D17 86.18 1.67 -8.95 -0.6 0
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133758 51586745 1 S2N3C16H17 A2B3C16D17 86.47 1.98 -8.88 -0.57 0
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133759 51586851 1 ON4C21H26 AB4C21D26 -2.64 2.18 -8.33 0.06 0
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133760 51586852 1 ON4C21H26 AB4C21D26 -1.98 5.22 -8.13 0.1 0
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133761 51586853 1 O2N5C20H21 A2B5C20D21 42.73 4.06 -8.22 -0.61 1
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133762 51587073 1 ON5C20H22 AB5C20D22 70.49 5.91 0.0 0.0 1
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133763 51587074 1 O2N5C21H24 A2B5C21D24 22.16 2.6 0.0 0.0 1
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133764 51587075 1 O2N5C21H24 A2B5C21D24 22.5 6.73 0.0 0.0 1
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133765 51587604 1 ON5C21H26 AB5C21D26 79.01 5.21 0.0 0.0 0
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133766 51587605 1 ON5C21H25 AB5C21D25 62.05 1.95 -9.26 -0.96 1
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133767 51587638 1 O2N3C20H30 A2B3C20D30 -56.58 4.59 0.0 0.0 0
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133768 51587802 1 FON5H22C23 ABC5D22E23 16.56 3.66 -8.81 -0.67 0
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133769 51587803 1 FON5H22C23 ABC5D22E23 18.26 5.17 -9.06 -0.56 0
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133770 51587804 1 FO3N4H21C22 AB3C4D21E22 -84.24 6.18 -8.68 -0.72 0
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133771 51588094 1 F2O2N5C17H17 A2B2C5D17E17 -77.31 2.5 -8.9 -0.43 0
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133772 51588095 1 F2O2N5C17H17 A2B2C5D17E17 -77.51 2.9 -8.93 -0.43 1
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133773 51588164 1 ON7C22H30 AB7C22D30 74.63 4.47 0.0 0.0 0
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133774 51588165 1 ON7C22H29 AB7C22D29 61.6 4.6 -8.54 0.01 1
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133775 51588166 1 ON7C22H30 AB7C22D30 78.36 6.87 0.0 0.0 0
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133776 51588167 1 ON7C22H29 AB7C22D29 63.42 4.7 -8.44 -0.21 1
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133777 51588554 1 N3C15H28 A3B15C28 21.5 2.29 0.0 0.0 1
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133778 51588555 1 OSN2F4C11H13 ABC2D4E11F13 -202.04 5.0 0.0 0.0 1
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133779 51589073 1 N4O4C16H25 A4B4C16D25 -83.93 11.49 0.0 0.0 0
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133780 51589074 1 O2N7C21H23 A2B7C21D23 52.03 17.18 -8.12 -1.38 0
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133781 51589075 1 ON6C24H26 AB6C24D26 54.27 6.34 -8.9 -0.49 1
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133782 51589082 1 ClON7C21H21 ABC7D21E21 104.74 9.6 0.0 0.0 1
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133783 51589083 1 OF2N4H21C24 AB2C4D21E24 0.46 7.19 0.0 0.0 0
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133784 51589084 1 O3N4H16C17 A3B4C16D17 10.45 7.41 -9.69 -0.88 0
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133785 51589240 2 NO2C11H13 AB2C11D13 -102.02 1.74 -8.57 -0.06 1
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133786 51589241 1 N2O4C22H27 A2B4C22D27 -81.39 5.27 0.0 0.0 0
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133787 51589326 1 F2N3O3H21C22 A2B3C3D21E22 -169.01 7.41 -9.01 -0.77 1
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133788 51589327 1 FO2N4C22H26 AB2C4D22E26 -69.55 6.74 0.0 0.0 0
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133789 51589328 1 FO2N4C22H25 AB2C4D22E25 -74.29 6.85 -8.5 -0.5 1
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133790 51589362 1 O2N3C24H34 A2B3C24D34 -22.29 2.26 0.0 0.0 1
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133791 51589363 1 FN4C20H24 AB4C20D24 29.48 4.72 0.0 0.0 0
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133792 51589592 2 NO2C8H11 AB2C8D11 -172.49 3.5 -9.73 -0.27 0
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133793 51589621 1 ClFN2O4C22H24 ABC2D4E22F24 -207.87 4.91 -9.2 -0.62 1
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133794 51589807 1 ON4C22H31 AB4C22D31 11.98 3.27 0.0 0.0 1
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133795 51589828 1 F2N3O3C28H28 A2B3C3D28E28 -117.89 3.31 0.0 0.0 1
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133796 51589851 1 O3N4C18H29 A3B4C18D29 -147.95 12.19 0.0 0.0 0
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133797 51589852 1 O3N4C18H28 A3B4C18D28 -174.54 7.2 -9.63 -0.36 1
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133798 51590001 1 ON3C18H30 AB3C18D30 8.01 2.3 0.0 0.0 1
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133799 51590035 1 N2C10H17 A2B10C17 40.23 2.13 0.0 0.0 0
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133800 51590799 1 ON6C24H28 AB6C24D28 60.43 1.36 -8.88 -0.36 0
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133801 51590939 1 N2O2C13H18 A2B2C13D18 -66.42 3.01 -9.1 -0.09 1
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133802 51590940 1 O2N4C18H23 A2B4C18D23 11.85 4.81 0.0 0.0 0
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133803 51590941 2 ON2C9H11 AB2C9D11 -11.02 1.88 -8.77 -0.2 1
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133804 51590942 1 N2O2C14H21 A2B2C14D21 -44.77 5.55 0.0 0.0 -1
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133805 51591005 1 BrO5N6H12C19 AB5C6D12E19 58.11 4.81 0.0 0.0 0
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133806 51591057 1 S2N3O3C18H25 A2B3C3D18E25 -94.47 4.26 -8.76 -0.79 1
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133807 51591272 1 O2N4C25H37 A2B4C25D37 -34.3 2.36 0.0 0.0 1
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133808 51591781 1 O3N4C21H35 A3B4C21D35 -119.71 4.9 0.0 0.0 0
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133809 51591784 1 O3N4C8H14 A3B4C8D14 -38.69 4.25 -9.52 -0.88 0
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133810 51591882 1 O3N5C20H25 A3B5C20D25 -32.33 2.87 -8.22 -1.37 0