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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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41728 8146989 1 OSN4C22H22 ABC4D22E22 43.73 5.03 -8.59 -1.01 1
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41729 8146991 1 OS2N4C21H23 AB2C4D21E23 49.83 12.22 0.0 0.0 0
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41730 8146992 1 OS2N4C21H22 AB2C4D21E22 39.68 2.2 -8.54 -0.99 0
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41731 8146996 1 ClN3O4C14H18 AB3C4D14E18 -81.47 6.3 -9.61 -1.4 0
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41732 8146998 1 ClN3O4C14H18 AB3C4D14E18 -90.4 3.4 -9.48 -1.69 0
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41733 8147002 1 ClN3O4C14H18 AB3C4D14E18 -90.68 3.35 -9.45 -1.66 1
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41734 8147003 1 SO3N4C19H23 AB3C4D19E23 -67.61 14.69 0.0 0.0 0
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41735 8147004 1 SO3N4C19H22 AB3C4D19E22 -77.0 7.57 -8.74 -1.16 1
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41736 8147005 1 SO2N4C20H21 AB2C4D20E21 34.49 14.18 0.0 0.0 0
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41737 8147006 1 SO2N4C20H20 AB2C4D20E20 19.15 2.26 -8.66 -1.04 0
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41738 8147011 2 ON2C10H10 AB2C10D10 19.04 6.88 -8.88 -0.84 0
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41739 8147012 1 O3N5C19H21 A3B5C19D21 -24.82 2.97 -9.26 -1.14 1
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41740 8147013 1 O2N4C20H21 A2B4C20D21 36.16 8.01 0.0 0.0 0
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41741 8147014 2 ON2C10H10 AB2C10D10 18.98 6.53 -8.85 -0.86 0
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41742 8147015 1 O3N5C19H21 A3B5C19D21 -24.97 2.78 -9.17 -1.11 0
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41743 8147016 1 O3N5C19H21 A3B5C19D21 -25.22 3.18 -9.01 -0.93 0
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41744 8147017 1 ClOSN6H15C18 ABCD6E15F18 86.38 6.21 -9.51 -1.28 0
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41745 8147019 1 OSN6H18C19 ABC6D18E19 89.01 6.03 -9.17 -1.22 0
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41746 8147020 1 OSN6H18C19 ABC6D18E19 88.79 4.05 -9.24 -1.15 1
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41747 8147023 1 FON3C19H19 ABC3D19E19 21.27 5.78 0.0 0.0 0
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41748 8147024 1 FON3H18C19 ABC3D18E19 2.14 6.75 -9.26 -0.66 1
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41749 8147026 1 FOSN3C21H23 ABCD3E21F23 -8.92 5.93 0.0 0.0 1
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41750 8147029 1 FOSN3H21C23 ABCD3E21F23 40.69 8.52 0.0 0.0 0
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41751 8147031 1 N2O5H22C23 A2B5C22D23 -150.93 5.1 -8.78 -0.64 1
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41752 8147032 1 ClFON3H18C19 ABCD3E18F19 6.03 6.86 0.0 0.0 0
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41753 8147033 1 ClFON3H17C19 ABCD3E17F19 -7.83 5.93 -9.5 -0.95 1
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41754 8147034 1 FOSN3H21C23 ABCD3E21F23 34.44 7.72 0.0 0.0 1
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41755 8147036 1 FSN3O3C20H21 ABC3D3E20F21 -82.06 17.05 0.0 0.0 1
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41756 8147038 1 FSO2N3H19C21 ABC2D3E19F21 10.55 8.58 0.0 0.0 0
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41757 8147041 1 FO2N3H18C21 AB2C3D18E21 -2.25 9.15 -8.99 -0.93 0
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41758 8147043 1 ON3C21H25 AB3C21D25 -0.97 7.07 -9.14 -0.53 1
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41759 8147044 1 ON3C21H26 AB3C21D26 15.18 9.18 0.0 0.0 0
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41760 8147046 1 ClSN3O3H14C17 ABC3D3E14F17 -39.29 4.97 -9.17 -1.39 1
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41761 8147049 1 OSN3C23H30 ABC3D23E30 -11.09 8.01 0.0 0.0 0
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41762 8147050 1 OSN3C23H29 ABC3D23E29 -24.28 3.29 -8.56 -0.81 0
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41763 8147053 1 SN2O3C19H20 AB2C3D19E20 -99.06 7.71 -8.6 -0.53 1
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41764 8147054 1 OSN3C25H28 ABC3D25E28 34.65 9.49 0.0 0.0 0
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41765 8147055 1 OSN3C25H27 ABC3D25E27 21.39 4.04 -8.7 -0.94 0
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41766 8147056 1 SO2N3H21C23 AB2C3D21E23 24.86 7.7 -9.18 -1.16 0
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41767 8147058 1 OSN3C22H27 ABC3D22E27 -11.05 3.66 -8.51 -0.85 0
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41768 8147059 1 ClFSO4H12C19 ABCD4E12F19 -132.3 5.96 -9.57 -1.38 1
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41769 8147060 1 OSN3C22H28 ABC3D22E28 3.8 7.95 0.0 0.0 0
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41770 8147062 1 ClSF2O4H11C19 ABC2D4E11F19 -173.4 5.5 -9.68 -1.66 1
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41771 8147063 1 ClON3C21H25 ABC3D21E25 5.83 9.41 0.0 0.0 0
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41772 8147083 1 ON3C22H27 AB3C22D27 -6.96 7.23 -8.95 -0.37 1
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41773 8147087 1 SN3O3C22H28 AB3C3D22E28 -91.71 18.24 0.0 0.0 0
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41774 8147088 1 SN3O3C22H27 AB3C3D22E27 -102.67 5.51 -9.02 -1.3 1
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41775 8147092 1 SO2N3C23H26 AB2C3D23E26 5.91 9.33 0.0 0.0 0
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41776 8147098 1 O2N3C23H25 A2B3C23D25 -3.37 7.67 -9.0 -1.1 1
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41777 8147101 1 SN3O3C23H28 AB3C3D23E28 -59.51 9.55 0.0 0.0 0
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41778 8147102 1 SN3O3C23H27 AB3C3D23E27 -72.22 4.97 -8.23 -0.83 0
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41779 8147103 2 NOC11H11 ABC11D11 -3.4 7.32 -8.96 -0.51 0
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41780 8147105 1 O5C20H22 A5B20C22 -143.3 2.9 -8.43 -0.72 0
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41781 8147106 1 ClN2O3C14H15 AB2C3D14E15 -64.69 6.09 -8.55 -0.51 1
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41782 8147107 1 ClN3O3C22H25 AB3C3D22E25 -58.5 10.0 0.0 0.0 0
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41783 8147108 1 ClN3O3C22H24 AB3C3D22E24 -75.65 6.7 -8.32 -0.83 0
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41784 8147109 1 N2S2O3C16H16 A2B2C3D16E16 -71.33 4.26 -8.92 -0.96 0
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41785 8147110 1 SN3O3C17H17 AB3C3D17E17 -55.42 2.39 -8.89 -1.12 0
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41786 8147111 1 SN3O5C17H19 AB3C5D17E19 -83.57 7.13 -9.27 -1.77 1
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41787 8147112 1 N3O3C23H28 A3B3C23D28 -51.58 10.67 0.0 0.0 1
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41788 8147114 1 N3O3C23H28 A3B3C23D28 -51.88 10.75 0.0 0.0 0
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41789 8147115 1 N3O3C23H27 A3B3C23D27 -72.32 3.26 -8.35 -0.58 0
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41790 8147116 1 N2O2S2H16C17 A2B2C2D16E17 8.79 2.91 -8.98 -1.24 0
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41791 8147117 2 NOSC10H10 ABCD10E10 -2.41 1.38 -8.85 -0.76 1
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41792 8147118 1 O2N5C24H24 A2B5C24D24 68.77 6.97 0.0 0.0 0
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41793 8147119 1 O2N5H23C24 A2B5C23D24 53.82 7.92 -8.9 -0.84 0
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41794 8147120 1 NO4H19C24 AB4C19D24 -80.25 5.54 -9.18 -0.84 0
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41795 8147121 1 ClSO2N3H18C19 ABC2D3E18F19 -44.2 3.75 -8.88 -0.76 1
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41796 8147122 1 SO3N5C20H26 AB3C5D20E26 -44.79 8.33 0.0 0.0 0
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41797 8147123 1 SO3N5C20H25 AB3C5D20E25 -57.59 10.18 -9.2 -0.6 0
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41798 8147124 1 OSCl2N3H9C14 ABC2D3E9F14 23.81 2.66 -9.04 -1.56 0
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41799 8147125 1 SF2O2N3H15C19 AB2C2D3E15F19 -105.11 3.8 -8.89 -1.2 1
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41800 8147126 1 SO3N5C20H26 AB3C5D20E26 -42.44 10.68 0.0 0.0 0
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41801 8147127 1 SO3N5C20H25 AB3C5D20E25 -58.07 9.59 -9.16 -0.56 0
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41802 8147128 1 SF2O2N3H15C19 AB2C2D3E15F19 -110.53 4.62 -8.49 -1.49 0