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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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231815 87574711 1 SO4H8C9 AB4C8D9 -112.39 4.74 -9.84 -1.18 0
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231816 87574713 1 O3F6C10H12 A3B6C10D12 -417.0 1.07 -9.36 0.04 0
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231817 87574714 1 STeO3H6C8 ABC3D6E8 -79.84 3.95 -8.63 -1.26 0
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231818 87574716 2 NC19H24 AB19C24 30.45 5.24 -9.22 -0.19 0
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231819 87574723 1 ON3C24H29 AB3C24D29 0.26 1.38 -8.37 0.18 0
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231820 87574724 1 SN3F4O4H21C22 AB3C4D4E21F22 -256.26 4.76 -9.11 -1.16 0
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231821 87574726 1 ClFNO5H17C20 ABCD5E17F20 -88.72 8.51 -9.01 -1.04 0
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231822 87574727 1 NSO7C12H13 ABC7D12E13 -258.56 6.62 -9.03 -1.46 0
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231823 87574728 1 ClSN2C6O6H17 ABC2D6E6F17 -291.05 12.48 -8.42 -1.29 0
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231824 87574729 1 O3C10H14 A3B10C14 -97.26 3.32 -10.16 0.66 0
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231825 87574730 1 S2O3H8C9 A2B3C8D9 -80.19 3.72 -9.13 -1.19 0
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231826 87574731 1 NO4H25C28 AB4C25D28 -65.12 4.53 -9.04 -0.63 0
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231827 87574733 1 NO4H23C28 AB4C23D28 -33.32 2.14 -8.98 -0.58 0
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231828 87574735 1 SN4O11C63H114 AB4C11D63E114 -693.27 12.15 -9.47 -1.61 1
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231829 87574736 1 S2C24H25 A2B24C25 46.01 2.07 0.0 0.0 0
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231830 87574738 1 INC5O5H14 ABC5D5E14 3.79 12.81 -10.48 -2.76 0
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231831 87574739 1 NTeH5C9 ABC5D9 75.46 3.26 -8.55 -1.12 1
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231832 87574740 1 INC5O5H13 ABC5D5E13 -15.56 16.75 0.0 0.0 1
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231833 87574741 1 INO4C5H13 ABC4D5E13 -26.23 15.72 0.0 0.0 0
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231834 87574743 1 FSeH5C8 ABC5D8 -10.19 1.55 -8.64 -0.63 0
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231835 87574746 1 ClNSF3O4H19C20 ABCD3E4F19G20 -295.62 9.35 -9.26 -0.75 0
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231836 87574747 1 ClO3C11H15 AB3C11D15 -110.23 3.55 -10.21 0.34 0
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231840 87574753 1 NSO7C23H33 ABC7D23E33 -306.47 1.96 -9.53 -0.04 0
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231841 87574754 1 OSN6C22H22 ABC6D22E22 86.42 2.94 -8.43 -1.04 1
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231842 87574757 1 N3C7H14 A3B7C14 27.68 1.69 0.0 0.0 0