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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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260050 103179427 1 N2O3C13H26 A2B3C13D26 -145.51 2.36 -8.94 1.29 0
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260051 103179428 1 BrFO3C13H18 ABC3D13E18 -154.79 2.99 -9.8 -0.57 0
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260052 103179429 1 N2O3C14H28 A2B3C14D28 -152.52 2.57 -8.95 1.18 0
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260053 103179437 1 BrClNO2C13H19 ABCD2E13F19 -87.33 3.53 -8.48 -0.26 0
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260054 103179438 1 BO6C14H23 AB6C14D23 -303.9 4.51 -8.98 0.03 0
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260055 103179440 1 NO3C11H25 AB3C11D25 -149.46 2.61 -8.95 2.08 0
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260056 103179445 1 N2O3C14H20 A2B3C14D20 -75.16 6.46 -8.39 -0.45 0
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260057 103179460 1 BO6C14H23 AB6C14D23 -302.72 4.6 -9.04 0.04 0
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260058 103179476 1 NSO2C11H25 ABC2D11E25 -110.39 3.56 -8.49 0.87 0
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260059 103179483 1 NO3C16H23 AB3C16D23 -58.94 4.45 -9.18 -0.14 0
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260060 103179484 1 NO3C13H29 AB3C13D29 -155.26 1.01 -8.77 2.13 0
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260061 103179492 1 FNO3C16H22 ABC3D16E22 -107.04 4.62 -9.45 -0.47 0
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260062 103179506 2 O2C8H11 A2B8C11 -117.23 4.86 -9.22 -0.2 0
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260063 103179567 1 NO4C9H19 AB4C9D19 -183.11 4.31 -9.79 1.0 0
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260064 103179577 1 O5C16H26 A5B16C26 -202.88 2.83 -8.72 0.36 0
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260065 103179606 2 NOC7H10 ABC7D10 -50.36 2.73 -7.84 0.11 0
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260066 103179607 1 O4C17H28 A4B17C28 -174.18 3.27 -9.23 0.31 0
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260067 103179629 2 O2C8H13 A2B8C13 -166.99 2.24 -9.58 0.17 0
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260068 103179660 1 O5C15H24 A5B15C24 -199.43 2.71 -9.06 0.05 0
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260069 103179760 1 SO2N3C12H25 AB2C3D12E25 -79.51 5.91 -8.57 -0.06 0
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260070 103179819 1 NO3C11H21 AB3C11D21 -134.03 2.92 -8.94 0.51 0
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260071 103179879 1 SO6C10H20 AB6C10D20 -275.41 1.99 -9.99 -0.09 0
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260072 103179898 1 BrFO3C12H16 ABC3D12E16 -150.79 4.7 -9.2 -0.33 0
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260073 103180027 1 N3O3C10H23 A3B3C10D23 -97.01 2.93 -8.88 0.9 0
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260074 103180235 1 INO5C15H28 ABC5D15E28 -227.87 2.0 -8.97 -1.09 0