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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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149981 53789664 1 N17O45C212H411 A17B45C212D411 -2706.75 12.87 -8.22 -0.46 0
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149982 53789665 1 NOC9H15 ABC9D15 -42.36 2.19 -8.15 0.42 0
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149983 53789666 1 NO2C8H17 AB2C8D17 -117.43 3.55 -9.22 1.94 0
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149984 53789667 1 NOC9H19 ABC9D19 -76.74 2.6 -8.9 2.42 0
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149985 53789668 1 FN2O7C37H43 AB2C7D37E43 -277.44 8.56 -8.74 -0.42 1
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149986 53789669 1 N3O8C37H44 A3B8C37D44 -277.84 8.36 0.0 0.0 0
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149987 53789670 1 SN2O5C30H56 AB2C5D30E56 -259.53 6.05 -8.85 -0.54 0
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149988 53789671 1 SN2O4C11H16 AB2C4D11E16 -143.4 5.84 -9.76 -0.67 0
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149989 53789672 1 SN2O4C11H16 AB2C4D11E16 -144.33 6.63 -9.78 -0.63 0
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149990 53789673 1 S2N8O12H28C29 A2B8C12D28E29 -317.19 7.46 -9.01 -1.8 0
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149991 53789674 1 N2F4O5C39H50 A2B4C5D39E50 -394.27 8.81 -9.42 -1.44 0
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149992 53789675 1 NSO7C15H27 ABC7D15E27 -240.43 5.39 -9.15 -0.83 0
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149993 53789676 1 SO2N5C10H13 AB2C5D10E13 -0.25 4.37 -8.81 -0.22 0
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149994 53789677 1 O3C12H20 A3B12C20 -140.64 4.21 -9.7 0.43 0
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149995 53789678 1 NO3C18H21 AB3C18D21 -72.49 5.49 -8.2 0.28 0
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149996 53789679 1 OC12H18 AB12C18 -56.86 2.48 -9.13 0.55 0
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149997 53789680 1 NO6C22H43 AB6C22D43 -371.37 1.49 -10.07 0.04 0
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149998 53789681 1 ClN2C8H11 AB2C8D11 41.81 1.03 -8.53 0.47 0
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149999 53789682 1 NO4C24H31 AB4C24D31 -81.74 4.33 -9.08 -0.9 0
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150000 53789683 1 O2N3C15H19 A2B3C15D19 -70.87 2.61 -9.11 -0.82 0
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150001 53789684 1 N3O4C8H15 A3B4C8D15 -70.35 0.55 -10.17 -0.59 0
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150002 53789685 1 N3O5C8H13 A3B5C8D13 -140.96 1.9 -10.26 -1.16 0
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150003 53789687 2 O3C11H17 A3B11C17 -276.9 4.05 -9.5 -0.57 0
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150004 53789688 1 NOC6H7 ABC6D7 22.62 1.86 -9.18 -0.66 0
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150005 53789689 1 O3C45H80 A3B45C80 -284.58 2.96 -9.24 0.56 0
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150006 53789690 1 O3C45H80 A3B45C80 -288.79 2.32 -9.24 0.59 0
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150007 53789691 1 SN5O6C24H25 AB5C6D24E25 -157.22 9.97 -8.92 -1.39 0
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150008 53789692 1 NO2C11H23 AB2C11D23 -132.1 0.81 -9.49 1.99 0
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150009 53789693 1 N2O3C25H26 A2B3C25D26 18.99 1.76 -8.11 -0.32 0
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150010 53789694 1 O4C5H8 A4B5C8 -109.9 2.0 -10.65 -0.82 0
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150011 53789695 1 O7H10C14 A7B10C14 -238.34 5.35 -8.92 -1.26 0
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150012 53789696 1 N2O3C25H36 A2B3C25D36 -111.09 2.41 -8.37 -0.41 0
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150013 53789697 1 NC13H25 AB13C25 -7.3 2.49 -8.81 1.49 0
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150014 53789698 1 ClN4O5C29H41 AB4C5D29E41 -219.23 4.84 -9.48 -0.53 0
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150015 53789699 1 O2N3C7H7 A2B3C7D7 -37.14 6.12 -8.97 -0.63 0
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150016 53789700 1 Cl2O3H16C18 A2B3C16D18 -92.32 1.1 -9.21 -0.82 0
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150017 53789702 4 OC3H6 AB3C6 -111.31 2.39 -9.88 -0.56 0
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150018 53789703 1 SN3O3H17C22 AB3C3D17E22 60.45 8.97 -8.85 -1.21 0
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150019 53789704 1 N6O7C30H40 A6B7C30D40 -156.04 2.17 -9.32 -1.68 0
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150020 53789705 1 N2O3C25H32 A2B3C25D32 -96.5 3.11 -7.98 -0.27 0
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150021 53789706 1 O6C27H46 A6B27C46 -350.91 6.48 -9.81 0.78 0
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150022 53789707 1 NPSO5C26H34 ABCD5E26F34 -260.61 7.14 -8.43 -0.76 0
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150023 53789708 1 ClN4O6C34H45 AB4C6D34E45 -65.45 5.94 -9.32 -2.12 0
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150024 53789709 1 S3O7N9C25H35 A3B7C9D25E35 -167.58 10.4 -9.24 -1.16 0
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150025 53789710 1 SO2Cl4H10C14 AB2C4D10E14 -26.11 3.56 -9.83 -1.05 0
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150026 53789711 2 NOC2H5 ABC2D5 -13.5 1.86 -8.61 0.67 0
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150027 53789712 1 O3N4C15H36 A3B4C15D36 -154.25 3.27 -8.82 1.38 0
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150028 53789713 1 NO4C9H17 AB4C9D17 -190.68 2.89 -10.24 0.09 0
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150029 53789714 1 NO2C4H13 AB2C4D13 -112.03 2.25 -9.98 2.04 0
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150030 53789715 1 N9C13H25 A9B13C25 90.99 4.94 -8.05 -0.16 0
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150031 53789716 1 OH24C34 AB24C34 113.7 1.25 -8.52 -0.97 0
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150032 53789717 1 NO2C23H45 AB2C23D45 -172.46 2.59 -9.71 0.47 0
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150033 53789718 2 ClOC7H8 ABC7D8 -74.45 4.01 -9.15 -0.26 0
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150034 53789719 1 BrN2O4H9C13 AB2C4D9E13 30.9 4.42 -10.52 -1.89 0
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150035 53789720 1 N3O3C23H31 A3B3C23D31 -111.11 6.85 -8.74 -0.29 0
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150036 53789721 2 C7H11 A7B11 -18.74 0.8 -9.17 0.5 0
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150037 53789722 3 OC5H6 AB5C6 -127.16 2.99 -9.61 0.14 0
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150038 53789723 1 NO4C13H13 AB4C13D13 -110.37 2.13 -10.28 -1.31 0
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150039 53789724 1 OCl2N4C22H22 AB2C4D22E22 -2.42 3.65 -8.22 -0.24 0
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150040 53789725 1 SO4N5C25H27 AB4C5D25E27 -58.97 4.49 -8.41 -0.72 0
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150041 53789726 1 ClON5C13H16 ABC5D13E16 -2.75 3.99 -9.55 -1.0 0
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150042 53789727 1 O3F4H10C14 A3B4C10D14 -297.28 2.01 -9.02 -0.99 0
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150043 53789728 1 O5C18H20 A5B18C20 -186.87 1.26 -8.93 -1.02 1
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150044 53789729 1 CO2N5 AB2C5 125.24 4.69 0.0 0.0 0
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150045 53789730 1 ClFN3O3C22H25 ABC3D3E22F25 -84.8 3.27 -8.68 -0.86 0
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150046 53789731 1 NO2H17C18 AB2C17D18 -35.55 5.33 -8.44 -0.24 0
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150047 53789732 1 PN2O2C5H9 AB2C2D5E9 -92.7 4.75 -9.53 0.78 0
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150048 53789733 1 NOC16H21 ABC16D21 -30.52 2.57 -8.3 0.09 0
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150049 53789734 1 ClO2N3H24C28 AB2C3D24E28 20.61 2.53 -8.66 -0.7 0
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150050 53789735 1 O4N5C27H31 A4B5C27D31 -99.24 5.9 -8.76 -1.03 0
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150051 53789736 1 SN2O5C45H90 AB2C5D45E90 -334.3 4.74 -8.8 0.17 0
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150052 53789737 1 O3C15H20 A3B15C20 -63.88 2.15 -10.02 -0.15 0
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150053 53789738 1 N4H22C23 A4B22C23 108.79 5.07 -8.44 -0.5 0
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150054 53789739 1 N2O2C13H22 A2B2C13D22 -91.54 7.27 -9.28 0.57 0
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150055 53789740 1 NO2C7H7 AB2C7D7 -17.29 2.38 -8.83 0.12 0
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150056 53789741 1 SN5O10C45H55 AB5C10D45E55 -351.53 6.46 -9.13 -0.79 0
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150057 53789742 1 SN5O6C35H45 AB5C6D35E45 -209.57 6.64 -9.3 -0.95 0
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150058 53789743 1 FN3O3C23H26 AB3C3D23E26 -126.07 2.35 -8.46 -0.72 0
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150059 53789744 1 PN6O8C16H25 AB6C8D16E25 -357.76 4.55 -9.64 -1.12 0
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150060 53789745 1 FN3O3C23H28 AB3C3D23E28 -133.0 5.77 -8.78 -1.13 1
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150061 53789746 1 NC25H32 AB25C32 71.2 0.66 0.0 0.0 0
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150062 53789747 1 OC31H48 AB31C48 -74.48 2.1 -9.08 0.42 0
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150063 53789748 1 NO3C20H27 AB3C20D27 -85.7 3.92 -8.89 -0.1 0
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150064 53789749 1 N2O7C34H42 A2B7C34D42 -262.29 4.4 -9.32 -0.01 0
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150065 53789750 1 NO3C8H15 AB3C8D15 -159.07 2.28 -9.84 0.75 0
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150066 53789751 1 NO4C11H13 AB4C11D13 -87.99 7.51 -10.48 -1.42 0
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150067 53789752 1 FNOC19H24 ABCD19E24 -74.6 2.62 -8.35 0.03 0
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150068 53789753 1 ClF2O2H15C18 AB2C2D15E18 -143.49 0.67 -9.54 -0.57 0
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150069 53789755 3 FH7C10 AB7C10 -41.97 3.95 -9.03 -0.58 1
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150070 53789756 1 SO2N5C10H16 AB2C5D10E16 -30.13 6.06 0.0 0.0 0
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150071 53789757 1 O5C14H28 A5B14C28 -264.81 1.88 -9.79 0.53 0
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150072 53789758 1 N3O3C19H21 A3B3C19D21 -50.23 5.51 -9.06 -1.34 0
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150073 53789759 1 NO2C35H49 AB2C35D49 -89.88 6.24 -9.29 -0.59 0
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150074 53789760 1 N2O2S3C8H14 A2B2C3D8E14 -45.19 5.41 -9.17 -1.56 0
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150075 53789761 1 N3O4C22H37 A3B4C22D37 -186.78 4.48 -7.99 0.5 0
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150076 53789762 1 OSN3C10H15 ABC3D10E15 -15.6 3.71 -8.85 -0.82 0
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150077 53789763 1 BrN4H21C24 AB4C21D24 116.39 3.6 -8.97 -1.13 0
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150078 53789764 1 NOC18H25 ABC18D25 -52.47 4.66 -8.32 -0.15 0
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150079 53789765 1 NO2C29H33 AB2C29D33 -38.53 3.49 -8.96 -0.04 0
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150080 53789766 1 N2O3C6H6 A2B3C6D6 -91.19 6.19 -9.49 -1.06 0