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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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14753 419560 1 OBr2Cl2N2C18H18 AB2C2D2E18F18 -1.4 3.07 -8.62 -0.83 0
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14754 419565 1 ClN5H10C13 AB5C10D13 83.35 5.59 -8.89 -1.08 0
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14756 419585 1 BNCl2C3H10 ABC2D3E10 -106.5 8.12 -9.74 0.39 0
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14757 419637 1 NOC8H15 ABC8D15 -52.24 3.6 -8.66 2.57 0
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14758 419689 1 Cl3P3N5C37H39 A3B3C5D37E39 60.76 14.21 -8.28 -1.21 0
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14761 419735 1 N5O6C11H15 A5B6C11D15 -176.61 4.49 -9.71 -1.29 0
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14762 419780 3 N2S2H6O7C10 A2B2C6D7E10 -592.24 2.36 -9.61 -3.12 0
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14763 419800 1 N4O10C17H20 A4B10C17D20 -334.64 10.32 -10.23 -1.37 0
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14764 419802 2 N2O4C11H12 A2B4C11D12 -218.84 8.81 -9.89 -1.2 0
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14765 419816 1 NOH11C14 ABC11D14 0.58 3.95 -8.6 -0.59 0
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14766 419844 1 ClN2O6C19H25 AB2C6D19E25 -138.49 6.33 -9.7 -1.02 0
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14767 419906 1 ON5C7H9 AB5C7D9 63.14 3.69 -10.55 -1.76 0
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14768 420066 1 N2O4C17H26 A2B4C17D26 -100.86 2.28 -9.21 -1.66 0
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14769 420072 2 NO2C9H14 AB2C9D14 -102.06 4.79 -8.96 -1.9 0
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14770 420202 1 NOC23H29 ABC23D29 -14.89 0.79 -8.38 0.43 0
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14771 420222 1 SO2Cl3N3H28C29 AB2C3D3E28F29 20.24 3.29 -8.63 -0.56 0
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14772 420229 1 OSN3C22H25 ABC3D22E25 16.57 3.94 -8.43 -0.83 0
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14773 420237 1 OSN3C8H15 ABC3D8E15 8.19 2.08 -8.91 -0.07 0
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14774 420253 1 AsO2C21H21 AB2C21D21 54.76 3.3 -8.43 -0.3 0
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14775 420298 1 H26C35 A26B35 132.79 0.71 -8.54 -0.46 0
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14776 420403 1 NO2C16H19 AB2C16D19 -31.71 2.5 -7.84 -0.31 0
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14777 420404 1 NO3C20H21 AB3C20D21 -53.65 2.8 -7.78 -0.38 0
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14778 420405 1 NSO2H14C16 ABC2D14E16 -13.84 3.1 0.0 0.0 1
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14779 420514 1 FSCl2O2N4H13C18 ABC2D2E4F13G18 -49.3 8.49 -9.27 -1.41 0
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14780 420515 1 FSCl2O2N4H15C18 ABC2D2E4F15G18 -75.23 8.7 -9.41 -0.88 0
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14783 420714 1 FCl2S3N5O9H20C23 AB2C3D5E9F20G23 -312.47 3.51 -9.02 -1.79 0
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14784 420722 1 O2N5H7C10 A2B5C7D10 79.09 5.86 -8.49 -2.55 0
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14785 420755 2 SnC30H40 AB30C40 136.77 2.61 -7.77 -0.55 0
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14786 420768 1 NOSC11H12 ABCD11E12 2.79 3.69 0.0 0.0 1
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14787 420771 1 NOC6H13 ABC6D13 -61.9 3.01 -9.04 2.62 0
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14788 420797 1 ON3H5C6 AB3C5D6 24.48 2.18 -9.49 -1.09 0
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14789 420803 1 O5N6C23H24 A5B6C23D24 -144.62 5.12 -8.81 -0.48 0
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14790 420804 1 NO2C11H15 AB2C11D15 -72.9 3.44 -8.46 0.11 0
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14791 420805 2 N2O3H8C13 A2B3C8D13 75.08 2.21 -9.07 -2.47 0
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14792 420806 1 NSO6H21C24 ABC6D21E24 -168.38 4.31 -8.75 -2.04 0
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14793 420807 1 NO4C11H13 AB4C11D13 -137.45 3.12 -8.96 -0.36 0
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14794 420808 1 ON2C16H22 AB2C16D22 -16.14 3.09 -8.32 -0.09 0
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14795 420809 1 ON2C14H14 AB2C14D14 61.99 3.37 -8.87 -0.24 0
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14796 420810 1 ON2C15H16 AB2C15D16 56.78 3.24 -8.76 -0.28 0
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14797 420811 1 ON2C16H18 AB2C16D18 49.32 3.23 -8.94 -0.18 0
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14798 420812 1 SN2O3C29H34 AB2C3D29E34 -77.03 0.67 -8.93 -0.24 0
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14799 420815 1 N5C19H23 A5B19C23 64.55 3.8 -8.79 -0.16 0
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14800 420821 2 NO2C6H8 AB2C6D8 -78.9 3.9 -9.26 -1.96 0
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14801 420856 1 FSO4N5C19H22 ABC4D5E19F22 -132.9 6.75 -9.17 -0.93 0
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14802 420870 1 N3O3C10H11 A3B3C10D11 -80.96 8.42 -10.16 -1.12 0
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14804 420975 1 NO3H21C22 AB3C21D22 -28.9 0.18 -8.7 0.01 0
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14805 420976 1 IN2O2H13C14 AB2C2D13E14 62.29 5.6 -9.32 -1.66 0
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14806 420983 1 S2O6C23H26 A2B6C23D26 -189.57 4.03 -9.78 -0.6 0
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14807 421027 1 BrNOH14C17 ABCD14E17 27.5 6.63 -8.27 -1.19 0
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14808 421032 1 NCl2O5H12C13 AB2C5D12E13 -56.01 0.88 0.0 0.0 1