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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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260000 103179072 1 ClN2O2C13H17 AB2C2D13E17 -47.57 4.84 -8.9 -0.67 0
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260001 103179076 1 NO5C15H23 AB5C15D23 -195.5 1.95 -8.5 -0.41 0
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260002 103179077 1 N2O4C13H20 A2B4C13D20 -149.31 4.75 -8.29 -0.31 0
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260003 103179080 1 NO3C10H23 AB3C10D23 -147.46 2.43 -8.95 2.1 0
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260004 103179081 1 NO5C15H23 AB5C15D23 -196.43 3.02 -8.31 -0.41 0
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260005 103179087 1 NO5C13H19 AB5C13D19 -190.19 6.64 -9.09 -0.95 0
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260006 103179088 1 NO3C11H25 AB3C11D25 -159.78 3.45 -8.76 2.15 0
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260007 103179090 1 NO3C12H27 AB3C12D27 -163.87 2.85 -8.81 2.14 0
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260008 103179093 1 NO3C12H25 AB3C12D25 -156.42 4.98 -9.36 1.84 0
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260009 103179096 1 NO3C14H29 AB3C14D29 -167.68 2.48 -9.11 2.12 0
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260010 103179099 1 NO5C13H19 AB5C13D19 -189.05 6.54 -8.73 -0.62 0
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260011 103179100 1 NO3C14H29 AB3C14D29 -166.77 0.54 -8.66 2.12 0
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260012 103179121 1 NO5C13H19 AB5C13D19 -187.86 8.7 -8.76 -0.57 0
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260013 103179143 1 NO4C15H25 AB4C15D25 -166.82 3.31 -9.24 -0.05 0
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260014 103179144 1 NO4C9H21 AB4C9D21 -187.99 3.27 -9.51 1.75 0
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260015 103179145 1 NO4C16H27 AB4C16D27 -172.5 3.05 -9.18 -0.02 0
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260016 103179146 1 NO4C10H23 AB4C10D23 -197.23 2.04 -9.46 1.94 0
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260017 103179170 1 NO4C14H23 AB4C14D23 -162.09 3.25 -9.25 -0.06 0
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260018 103179177 1 FINO2C12H17 ABCD2E12F17 -95.75 4.23 -8.23 -0.8 0
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260019 103179178 1 O2N3C10H19 A2B3C10D19 -46.54 4.03 -8.16 0.85 0
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260020 103179179 1 NO5C10H17 AB5C10D17 -172.74 5.02 -9.56 -0.13 0
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260021 103179188 1 NO3C11H23 AB3C11D23 -124.57 4.04 -9.07 2.04 0
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260022 103179189 1 NO3C12H25 AB3C12D25 -150.18 1.66 -8.79 2.14 0
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260023 103179197 1 NSO2C12H21 ABC2D12E21 -69.34 2.78 -8.67 -0.01 0
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260024 103179202 1 ClNO3C13H20 ABC3D13E20 -123.11 3.36 -9.18 -0.22 0