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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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168815 75022458 1 NO2C25H37 AB2C25D37 -100.25 5.56 -8.27 -0.21 0
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168816 75022525 1 ClO4N6C19H23 AB4C6D19E23 -89.26 4.54 -8.91 -0.58 0
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168817 75022747 1 ClNO4C22H26 ABC4D22E26 -152.88 3.21 -8.4 -1.13 0
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168818 75022817 5 OC5H8 AB5C8 -202.48 5.6 -9.37 0.86 0
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168819 75022818 1 F3N3O3H30C35 A3B3C3D30E35 -192.37 4.73 -8.86 -0.83 1
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168820 75022887 1 SN3O4C27H36 AB3C4D27E36 -134.64 10.86 0.0 0.0 0
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168821 75023225 1 ClFO2N5C35H43 ABC2D5E35F43 -86.53 4.31 -8.6 -0.08 0
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168822 75023517 1 ClON4C23H27 ABC4D23E27 48.77 3.6 -8.71 -0.69 0
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168823 75023518 2 O2C17H33 A2B17C33 -321.73 3.1 -9.62 1.42 0
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168824 75023519 1 O4C21H40 A4B21C40 -257.46 4.75 -9.66 1.58 0
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168825 75023739 1 O15N17C68H101 A15B17C68D101 -672.4 14.86 -8.74 -0.24 0
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168826 75024195 1 SN8O8C29H42 AB8C8D29E42 -324.02 2.68 -9.26 -0.54 0
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168827 75024499 1 O2N3F4C27H35 A2B3C4D27E35 -274.17 1.87 -8.84 -0.74 0
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168828 75024500 1 ClON3C26H36 ABC3D26E36 -42.67 2.57 -8.72 -0.09 0
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168829 75024501 1 ClN3S3O4H18C20 AB3C3D4E18F20 -59.9 8.83 -8.92 -1.24 0
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168830 75024502 1 FNSO2H20C22 ABCD2E20F22 -68.41 5.21 -9.32 -0.82 0
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168831 75024555 1 N4O8C37H40 A4B8C37D40 -144.68 9.31 -6.6 -0.99 0
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168832 75024697 1 SO2N4C24H32 AB2C4D24E32 -48.03 5.14 -9.11 -0.68 0
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168833 75024698 1 BrSN2O4C20H21 ABC2D4E20F21 -136.68 3.67 -9.47 -0.44 0
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168834 75024830 1 O13N15C66H89 A13B15C66D89 -482.45 12.52 -8.69 -0.4 0
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168835 75024957 1 NSO4C21H25 ABC4D21E25 -122.46 6.22 -8.44 -1.35 0
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168836 75025669 1 NO4C27H33 AB4C27D33 -113.05 3.27 -8.73 -0.13 0
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168837 75025776 1 N2O7C32H32 A2B7C32D32 -152.97 9.56 -9.13 -1.57 0
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168838 75025779 1 BrN2O6H23C32 AB2C6D23E32 -52.86 9.74 -8.79 -1.59 0
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168839 75025926 1 SN4O5C26H30 AB4C5D26E30 -69.22 7.38 -9.13 -0.8 0