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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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296700 117589095 1 O3N4C15H18 A3B4C15D18 -41.13 6.72 -8.99 -0.92 0
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296701 117589101 1 O2N5C20H21 A2B5C20D21 34.17 6.85 -8.35 -1.2 0
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296702 117589112 1 BrO2N5H18C19 AB2C5D18E19 47.5 4.48 -8.37 -1.54 0
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296703 117589167 2 O2N3C10H10 A2B3C10D10 44.03 8.13 -8.91 -1.8 0
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296704 117589260 1 O2F3N4C15H15 A2B3C4D15E15 -163.71 3.38 -9.04 -1.57 0
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296705 117589275 1 O4N5C15H17 A4B5C15D17 -1.45 8.7 -8.95 -1.74 0
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296706 117589324 2 N2O2C9H12 A2B2C9D12 -102.61 9.29 -8.73 -1.05 0
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296707 117589329 1 N5O5C16H19 A5B5C16D19 -49.57 9.55 -9.26 -1.79 0
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296708 117589347 1 O3N4H18C19 A3B4C18D19 -4.8 7.39 -8.74 -1.06 0
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296709 117589398 1 O2N5C15H19 A2B5C15D19 -0.06 6.45 -8.56 -1.13 0
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296710 117589531 1 O3N4C13H16 A3B4C13D16 -42.87 6.18 -8.92 -1.29 0
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296711 117589535 1 O3N4C15H20 A3B4C15D20 -61.8 6.42 -8.62 -1.04 0
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296712 117589547 1 N5O5C13H15 A5B5C13D15 -47.05 2.78 -9.27 -2.26 0
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296713 117589728 1 O3N4C13H14 A3B4C13D14 -17.18 6.6 -8.72 -1.05 0
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296714 117589740 2 ON2C7H8 AB2C7D8 5.99 6.31 -9.3 -1.0 0
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296715 117589833 1 O2N5C14H15 A2B5C14D15 46.46 3.45 -9.0 -1.18 0
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296716 117589900 1 FN6C21H21 AB6C21D21 101.15 6.18 -8.78 -0.92 0
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296717 117589930 1 N5C14H15 A5B14C15 115.48 4.7 -8.63 -0.89 0
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296718 117589948 1 N5C15H17 A5B15C17 102.6 5.53 -8.64 -0.84 0
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296719 117590072 1 BrON5C16H18 ABC5D16E18 68.07 6.02 -9.1 -1.32 0
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296720 117590083 1 ON5C18H23 AB5C18D23 50.86 5.09 -8.72 -0.95 0
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296721 117590151 1 ClN6C14H15 AB6C14D15 122.98 6.07 -8.93 -1.31 0
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296722 117590192 1 F3N6C16H17 A3B6C16D17 -29.84 4.84 -8.86 -1.37 0
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296723 117590394 1 O2N6H14C17 A2B6C14D17 153.23 8.27 -9.07 -1.79 0
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296724 117590399 1 N5C19H19 A5B19C19 132.17 5.3 -8.72 -0.88 0
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296725 117590418 1 ClN5H16C18 AB5C16D18 139.19 4.32 -8.78 -1.21 0
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296726 117590466 1 ON5C14H15 AB5C14D15 102.67 4.64 -8.98 -0.84 0
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296727 117590496 1 ON5C14H17 AB5C14D17 68.69 5.7 -8.58 -0.81 -3
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296728 117590592 1 IrO6C15H21 AB6C15D21 -158.13 10.98 -9.91 -3.75 0
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296729 117590614 1 N2O3C30H42 A2B3C30D42 -103.24 4.27 -8.42 -0.43 0
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296730 117590684 1 O17C69H100 A17B69C100 -768.19 8.58 -8.9 0.12 0
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296731 117590751 1 NO8C42H45 AB8C42D45 -165.16 4.72 -8.73 -0.53 0
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296733 117590886 1 Cl2N3O6C42H49 A2B3C6D42E49 -151.68 4.42 -8.59 -0.42 0
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296734 117590905 1 N10O19C80H102 A10B19C80D102 -691.15 6.83 -8.74 -1.89 0
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296736 117591015 1 ClFNO5C43H55 ABCD5E43F55 -285.94 4.63 -9.11 -0.62 0
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296737 117591067 1 ClN4O4C32H45 AB4C4D32E45 -74.92 8.8 -9.19 -0.53 0
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296738 117591109 1 N10O22C89H116 A10B22C89D116 -839.9 5.88 -8.63 -1.83 0
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296739 117591138 1 N10O20C81H104 A10B20C81D104 -779.9 14.38 -8.08 -2.33 0
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296740 117591233 1 ClN3O6C25H32 AB3C6D25E32 -207.3 5.53 -9.18 -0.31 0
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296741 117591253 1 NO6C37H41 AB6C37D41 -75.16 13.89 -7.87 -2.7 0
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296742 117591257 1 NO9H35C36 AB9C35D36 -283.37 4.3 -8.14 -0.69 0
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296743 117591281 1 NO5C35H43 AB5C35D43 -204.97 2.59 -8.82 -0.7 0
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296744 117591287 1 NNaCl2O5C36H42 ABC2D5E36F42 -319.41 9.81 -7.47 -0.07 0
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296745 117591300 1 O9C45H56 A9B45C56 -374.18 4.72 -8.41 -0.59 0
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296746 117591301 1 ClN5O11C37H56 AB5C11D37E56 -483.26 12.12 -8.82 -1.08 0
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296747 117591313 1 O14H36C39 A14B36C39 -469.35 8.39 -8.86 -1.01 0
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296748 117591349 1 NO6C41H57 AB6C41D57 -237.46 12.52 -8.12 -0.52 0
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296749 117591361 1 ClN3O27C68H112 AB3C27D68E112 -1205.91 3.78 -8.09 -0.54 0
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296750 117591377 1 O8C45H62 A8B45C62 -372.31 6.38 -9.05 -1.38 0
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296751 117591391 1 Cl3N5O6C30H40 A3B5C6D30E40 -216.32 6.57 -9.01 -0.76 0
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296752 117591397 1 N2O9C54H56 A2B9C54D56 -152.06 6.3 -7.9 -2.21 0
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296753 117591417 1 ClSN4O7C31H45 ABC4D7E31F45 -170.62 4.79 -8.95 -0.65 0
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296754 117591431 1 ClO5N6C26H31 AB5C6D26E31 -115.77 6.38 -9.17 -0.95 0
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296755 117591477 1 FCl2N4O4C31H41 AB2C4D4E31F41 -156.87 8.5 -9.33 -0.96 0
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296756 117591484 1 N2O4C35H40 A2B4C35D40 -105.54 7.69 -8.97 -1.57 0
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296757 117591511 1 NaN3O16C50H76 AB3C16D50E76 -677.11 16.68 -8.26 -1.92 0
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296758 117591564 1 Cl2N4O9C46H62 A2B4C9D46E62 -430.29 7.0 -8.47 -1.03 0
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296759 117591593 1 NO9H29C32 AB9C29D32 -264.29 2.94 -8.07 -0.64 0
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296760 117591638 2 O4H15C16 A4B15C16 -217.05 6.28 -8.7 -1.01 0
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296762 117591697 1 ClN3O4C28H38 AB3C4D28E38 -152.61 3.09 -8.76 -0.61 0
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296763 117591791 1 NSO22C69H113 ABC22D69E113 -1003.69 6.85 -8.68 -1.8 0
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296764 117591795 1 S2N4O10H44C49 A2B4C10D44E49 -249.56 6.39 -8.13 -1.65 0
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296765 117591824 1 ClSN2O4C36H39 ABC2D4E36F39 -98.18 5.99 -7.82 -1.0 0
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296766 117591837 1 NSCl2O3C38H45 ABC2D3E38F45 -148.32 7.14 -8.39 -0.57 0
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296767 117591886 1 N2S2O9H42C44 A2B2C9D42E44 -208.77 6.47 -8.61 -1.74 0
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296768 117591920 1 NSO4C40H45 ABC4D40E45 -111.82 6.86 -8.64 -0.74 0
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296769 117591949 1 O7C28H32 A7B28C32 -223.27 12.23 -9.35 -0.56 0
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296770 117591966 1 N2O10H38C43 A2B10C38D43 -275.87 10.48 -8.58 -2.02 0
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296771 117592053 1 NO6C39H43 AB6C39D43 -109.75 3.95 -8.67 -0.18 0
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296772 117592178 2 ClNO3C19H21 ABC3D19E21 -189.76 5.77 -8.17 -0.87 0
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296773 117592180 1 SN3O17C52H67 AB3C17D52E67 -642.62 18.77 -8.86 -2.09 0
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296774 117592198 1 ClNa2P2N3O19C67H126 AB2C2D3E19F67G126 -1252.31 29.42 -9.12 -1.84 0
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296775 117592241 1 N4O27C56H70 A4B27C56D70 -830.27 12.73 -8.82 -1.41 0
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296776 117592244 1 N2O6C53H66 A2B6C53D66 -126.7 3.79 -8.0 0.07 0
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296777 117592314 1 Cl2N2O3C33H36 A2B2C3D33E36 -81.72 10.04 -7.98 -0.98 0
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296778 117592340 1 N3O13C42H51 A3B13C42D51 -532.6 16.39 -8.78 -1.04 0
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296779 117592404 1 NO5H25C26 AB5C25D26 -58.4 2.94 -8.65 -1.47 0
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296780 117592406 1 SCl3N6C29H31 AB3C6D29E31 73.72 2.93 -8.32 -0.71 0
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296781 117592413 1 NSCl2O4H29C33 ABC2D4E29F33 -100.43 4.83 -8.31 -1.0 0
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296782 117592514 1 N2O34C85H132 A2B34C85D132 -1511.15 1.2 -8.68 -0.62 0
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296783 117592575 1 SN3O3C20H21 AB3C3D20E21 -23.57 6.13 -8.76 -0.69 0
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296784 117592598 1 O9C37H42 A9B37C42 -280.19 4.0 -8.74 -1.81 0
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296785 117592664 1 ClNO12C30H40 ABC12D30E40 -523.31 5.11 -8.66 -1.72 0
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296786 117592667 1 SCl2F3N3O5C37H42 AB2C3D3E5F37G42 -342.94 5.95 -8.33 -1.49 0
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296787 117593065 1 N5O14C35H45 A5B14C35D45 -451.66 17.59 -8.66 -1.77 0
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296788 117593148 1 ClN5O5C37H42 AB5C5D37E42 175.84 4.8 -7.64 -0.67 0
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296789 117593150 1 ClN4O8H55C59 AB4C8D55E59 -181.85 16.52 -7.46 -1.98 0
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296790 117593307 1 N4O9H62C66 A4B9C62D66 -170.02 8.06 -7.81 -1.79 0
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296791 117593338 3 O3C14H16 A3B14C16 -222.9 4.96 -8.98 -0.56 0
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296792 117593339 1 ClN4O8C41H43 AB4C8D41E43 -226.74 4.16 -8.67 -1.36 0
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296793 117593352 1 PNa3O7C19H20 AB3C7D19E20 -410.56 5.35 -5.68 -0.02 0
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296794 117593467 1 Cl2O7N10H52C55 A2B7C10D52E55 -129.62 17.62 -8.18 -2.02 0
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296795 117593480 1 N3O10H57C64 A3B10C57D64 -226.4 18.71 -8.06 -1.83 0
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296796 117593483 1 O11H26C27 A11B26C27 -417.29 8.49 -8.69 -1.26 0
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296797 117593517 1 N2O8C27H30 A2B8C27D30 -259.45 10.2 -8.64 -0.79 0
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296798 117593534 2 O5C26H32 A5B26C32 -407.37 7.09 -8.1 -0.43 0
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296799 117593544 1 O15C61H68 A15B61C68 -520.29 16.48 -7.95 -1.61 0
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296800 117593577 4 O4C13H16 A4B13C16 -674.72 8.57 -9.43 -1.51 0
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296801 117593696 2 O4C22H25 A4B22C25 -322.71 8.88 -8.31 -1.24 0
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296802 117593781 1 O11C54H84 A11B54C84 -492.75 4.67 -9.65 -1.91 0