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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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314650 126622550 2 NF2O2H5C6 AB2C2D5E6 -334.04 4.84 -9.96 -1.17 0
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314651 126622553 1 F2N2O5C18H22 A2B2C5D18E22 -314.36 5.3 -9.24 -0.78 0
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314652 126622557 1 ClFC10H10 ABC10D10 -39.42 1.61 -9.6 -0.15 0
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314653 126622558 1 ClNO3H8C9 ABC3D8E9 -117.68 5.62 -10.21 -1.17 0
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314654 126622559 1 NO2C10H11 AB2C10D11 -41.83 5.25 -9.73 -0.78 0
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314655 126622571 1 CaO4C20H22 AB4C20D22 -261.54 0.09 -9.43 0.27 0
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314656 126622580 1 NO4C11H13 AB4C11D13 -152.91 4.19 -9.19 -0.42 0
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314657 126622587 1 N2O2F4H10C11 A2B2C4D10E11 -248.86 4.95 -9.35 -0.71 0
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314658 126622588 1 NO4C10H11 AB4C10D11 -149.29 6.92 -9.59 -0.97 0
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314659 126622589 1 Cl2F2O2N3H19C26 A2B2C2D3E19F26 -96.79 6.58 -9.52 -0.93 0
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314660 126622592 1 FNO4H10C17 ABC4D10E17 -128.17 8.8 -9.64 -1.76 0
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314661 126622596 1 ClNF2O3H14C19 ABC2D3E14F19 -167.31 3.74 -9.46 -1.1 0
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314662 126622598 1 OBr2C12H16 AB2C12D16 -34.37 2.96 -9.55 -0.71 0
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314663 126622601 1 BrF4N4O5H17C22 AB4C4D5E17F22 -344.23 5.1 -9.42 -0.93 0
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314664 126622611 1 BrN3O3C7H8 AB3C3D7E8 -84.45 5.19 -9.88 -0.67 0
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314665 126622612 1 ClF2N2O6H33C35 AB2C2D6E33F35 -254.73 9.42 -8.59 -0.9 0
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314666 126622613 1 ISH4N5C6 ABC4D5E6 164.34 3.57 -8.81 -1.63 0
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314667 126622614 1 ClF2N3O4H24C27 AB2C3D4E24F27 -209.26 2.92 -9.12 -0.51 0
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314668 126622618 1 BrFSN5O6C24H25 ABCD5E6F24G25 -200.89 5.37 -9.16 -0.97 0
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314669 126622619 1 ClF2N3O4H24C27 AB2C3D4E24F27 -197.81 6.84 -9.04 -0.7 0
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314670 126622623 1 NO5C9H15 AB5C9D15 -230.98 7.16 -10.14 -0.15 0
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314671 126622626 1 BrPN4O7H20C21 ABC4D7E20F21 -231.19 2.2 -9.46 -1.32 0
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314672 126622627 1 OF2N7H19C24 AB2C7D19E24 29.57 6.78 -9.02 -1.05 0
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314673 126622656 1 FN3O5H16C17 AB3C5D16E17 -176.71 2.69 -9.22 -1.5 0
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314674 126622685 1 BrClN2O2H4C8 ABC2D2E4F8 -30.76 3.88 -9.67 -1.62 0
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314675 126622686 1 ClFN2O4H16C17 ABC2D4E16F17 -185.9 1.88 -9.13 -0.44 0
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314676 126622687 1 BrClON2H4C7 ABCD2E4F7 -13.29 2.48 -9.22 -0.97 0
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314677 126622689 1 ClF2O3N6H25C31 AB2C3D6E25F31 -75.68 3.45 -9.05 -1.03 0
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314678 126622699 1 OCl2N2C6H12 AB2C2D6E12 -75.27 4.03 -9.11 -0.37 0
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314679 126622700 1 Cl2N3O4H29C30 A2B3C4D29E30 -103.74 5.66 -9.05 -0.73 0
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314680 126622706 1 FSCl2N3O4H30C35 ABC2D3E4F30G35 -77.98 4.32 -8.8 -1.56 0
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314681 126622708 1 SF3N4O4H27C32 AB3C4D4E27F32 -162.04 8.92 -8.75 -1.07 0
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314682 126622710 1 Cl2N3O6C37H41 A2B3C6D37E41 -213.09 5.21 -9.18 -0.63 0
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314683 126622711 1 ClO2N3H36C37 AB2C3D36E37 22.01 6.52 -8.84 -0.73 0
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314684 126622714 1 SN3O4C19H19 AB3C4D19E19 -77.82 4.68 -9.05 -1.1 0
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314685 126622718 1 SF3N3O4C17H18 AB3C3D4E17F18 -241.96 7.48 -9.3 -1.18 0
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314686 126622722 1 ClSO2N4H25C26 ABC2D4E25F26 23.65 4.25 -9.06 -0.77 0
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314687 126622724 1 Cl2N2O2H32C39 A2B2C2D32E39 56.24 1.09 -9.06 -1.01 0
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314688 126622727 1 Cl2N2O5H24C26 A2B2C5D24E26 -91.09 4.92 -9.39 -1.44 -1
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314689 126622728 1 Cl2N2O5H23C26 A2B2C5D23E26 -25.75 16.7 0.0 0.0 0
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314690 126622734 1 ClSN4O4H21C22 ABC4D4E21F22 -34.76 5.0 -9.24 -1.23 0
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314691 126622750 1 FSCl2N3O4H36C42 ABC2D3E4F36G42 -61.74 5.81 -8.93 -1.24 0
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314692 126622751 1 FSCl2N3O4H36C42 ABC2D3E4F36G42 -61.03 4.54 -8.93 -1.6 0
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314693 126622753 1 NOC9H19 ABC9D19 -56.98 4.02 -8.93 2.73 0
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314694 126622755 1 ClISO2F3N4H23C25 ABCD2E3F4G23H25 -110.18 5.69 -9.3 -2.32 0
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314695 126622756 1 IOC27H57 ABC27D57 -174.18 3.32 -9.66 -1.04 0
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314696 126622760 1 FNH14C15 ABC14D15 -2.67 0.49 -8.91 -0.17 0
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314697 126622761 1 NC14H19 AB14C19 3.07 1.63 -8.78 0.51 0
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314700 126622768 1 F2O3H6C10 A2B3C6D10 -197.23 7.37 -10.2 -1.89 0
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314701 126622769 1 SCl2N3F6O15C56H69 AB2C3D6E15F56G69 -415.93 6.04 -8.54 -2.03 0
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314702 126622772 1 NPO8C43H82 ABC8D43E82 -531.38 14.41 -9.4 -0.24 1
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314703 126622774 1 NPO8C43H83 ABC8D43E83 -490.98 4.22 0.0 0.0 0
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314704 126622775 1 ClNOC9H20 ABCD9E20 -116.39 5.37 -9.99 1.56 0
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314705 126622776 1 ClNOC9H20 ABCD9E20 -112.62 1.55 -9.51 1.99 0
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314706 126622782 2 NH7C8 AB7C8 76.31 4.73 -9.26 -0.59 0
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314707 126622784 1 OC23H40 AB23C40 -117.64 1.5 -8.45 0.41 0
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314708 126622793 1 FNOH14C16 ABCD14E16 -54.92 4.96 -9.24 -0.43 0
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314709 126622797 1 ClNC15H20 ABC15D20 -12.17 2.77 -9.04 0.15 0
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314710 126622801 1 FNH12C15 ABC12D15 15.39 3.75 -9.47 -0.26 0
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314711 126622803 1 PO11C47H93 AB11C47D93 -690.3 6.49 -9.4 0.04 0
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314712 126622804 1 O11C51H96 A11B51C96 -641.71 3.48 -10.17 -0.18 0
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314713 126622805 1 CuNOC4H5 ABCD4E5 206.39 1.37 0.0 0.0 0
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314714 126622806 1 O11C51H96 A11B51C96 -638.56 1.34 -9.88 -0.34 0
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314715 126622807 1 FNOH14C16 ABCD14E16 -56.44 5.14 -9.35 -0.3 0
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314716 126622811 1 NOC16H17 ABC16D17 0.66 2.94 -8.48 -0.07 0
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314717 126622814 1 Cl3N3O7C27H30 A3B3C7D27E30 -256.25 10.61 -8.64 -0.59 0
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314718 126622820 1 Cl3N3O7H22C23 A3B3C7D22E23 -233.01 6.34 -8.89 -0.95 0
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314719 126622821 2 O2C9H19 A2B9C19 -127.43 3.15 -9.03 0.48 0
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314720 126622823 1 PO3C11H17 AB3C11D17 -170.54 2.48 -9.01 0.25 0
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314721 126622844 1 F2O3N5H13C14 A2B3C5D13E14 -133.56 7.69 -9.3 -1.23 0
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314722 126622861 1 FO2N3C15H22 AB2C3D15E22 -125.32 2.27 -8.88 -0.08 0
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314723 126622862 1 O3N5H27C31 A3B5C27D31 23.59 6.95 -8.74 -0.75 0
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314724 126622864 1 O3N5H27C31 A3B5C27D31 25.38 11.92 -8.44 -0.68 0
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314725 126622870 1 BrOF2N3C10H10 ABC2D3E10F10 -109.88 5.6 -9.79 -0.8 0
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314726 126622876 1 PO3C38H57 AB3C38D57 -216.41 4.1 -9.04 0.08 0
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314727 126622887 1 BrNO2H10C12 ABC2D10E12 -26.43 4.98 -9.13 -0.87 0
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314728 126622888 1 O3N6H26C27 A3B6C26D27 0.14 8.33 -8.93 -0.71 0
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314729 126622889 1 BrFON3C13H15 ABCD3E13F15 -53.13 2.23 -9.34 -0.6 0
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314730 126622890 1 BrF2N2O3H11C12 AB2C2D3E11F12 -196.74 8.06 -9.73 -1.01 0
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314731 126622891 1 BrO3N7H26C27 AB3C7D26E27 -2.69 3.88 -9.12 -1.03 0
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314732 126622901 2 OC8H11 AB8C11 -95.8 4.81 -9.38 -0.18 0
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314733 126622909 1 O3F4N5C10H11 A3B4C5D10E11 -276.97 7.3 -10.07 -0.78 0
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314734 126622912 1 BrN3O4C14H16 AB3C4D14E16 -121.98 8.11 -9.46 -0.53 0
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314735 126622913 1 BrO3N7C28H28 AB3C7D28E28 -17.3 8.28 -8.91 -0.78 0
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314736 126622916 1 ClFO3N8H22C25 ABC3D8E22F25 -29.6 7.39 -9.17 -1.09 0
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314737 126622920 1 OF2N2C11H18 AB2C2D11E18 -159.07 0.97 -9.4 0.8 0
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314738 126622921 1 ClOF2N2C11H19 ABC2D2E11F19 -193.36 1.44 -9.33 0.86 0
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314739 126622925 1 FO3N7H28C29 AB3C7D28E29 -31.94 6.19 -9.04 -0.91 0
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314740 126622926 1 BrFO2N3C11H13 ABC2D3E11F13 -97.23 6.08 -8.66 -0.54 0
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314741 126622928 1 ClON3F4C12H20 ABC3D4E12F20 -303.81 7.91 -9.2 0.72 0
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314742 126622931 1 FO3N5C13H14 AB3C5D13E14 -105.81 6.71 -9.04 -0.88 0
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314743 126622954 1 FN4O4H13C14 AB4C4D13E14 -135.32 7.72 -9.63 -1.28 0
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314744 126622970 1 BrON3C11H12 ABC3D11E12 21.05 2.99 -9.37 -0.6 0
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314745 126622977 1 BrFN2C6H6 ABC2D6E6 -26.72 4.38 -8.99 -0.56 0
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314746 126622978 1 O3N5H13C15 A3B5C13D15 -14.61 4.62 -9.39 -1.6 0
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314747 126622979 1 OSN3F4C10H11 ABC3D4E10F11 -224.01 4.54 -9.41 -0.84 0
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314748 126622980 1 O4N5C19H19 A4B5C19D19 -67.89 3.58 -9.55 -1.43 0
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314749 126622983 1 BrFO4N7H23C26 ABC4D7E23F26 -79.59 9.27 -9.0 -0.88 0
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314750 126622991 1 SF2N2O5H18C19 AB2C2D5E18F19 -258.17 3.32 -9.65 -0.86 0
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314751 126622995 1 BrFON6C10H10 ABCD6E10F10 13.1 1.97 -9.53 -0.73 0