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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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241676 96023984 1 NC20H25 AB20C25 17.1 1.83 -8.65 0.44 0
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241677 96023988 1 NOC19H23 ABC19D23 -19.8 3.87 -9.0 0.23 0
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241678 96023991 1 NOC19H23 ABC19D23 -24.41 2.04 -8.76 0.43 0
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241679 96023992 1 NOC19H23 ABC19D23 -24.63 2.46 -8.86 0.35 0
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241680 96023993 1 NOC19H23 ABC19D23 -26.17 3.95 -8.83 0.22 0
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241681 96023994 1 NOC19H23 ABC19D23 -26.21 4.22 -8.91 0.3 0
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241682 96023997 1 NF2C18H19 AB2C18D19 -74.09 1.66 -8.81 -0.05 0
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241683 96024001 1 NOC19H21 ABC19D21 -6.41 3.85 -8.89 0.31 0
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241684 96024005 1 NC20H23 AB20C23 30.79 2.31 -8.82 0.4 0
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241685 96024006 1 NC20H23 AB20C23 29.49 1.99 -8.8 0.46 0
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241686 96024008 1 FNC19H20 ABC19D20 -6.43 1.19 -8.89 0.02 0
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241687 96024010 1 FNC19H20 ABC19D20 -8.47 0.88 -8.76 -0.23 0
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241688 96024011 1 NOC19H21 ABC19D21 -1.06 3.08 -8.67 -0.27 0
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241689 96024013 1 NOC19H21 ABC19D21 -4.56 2.09 -8.65 0.01 0
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241690 96024016 1 NO2C18H19 AB2C18D19 -44.09 2.6 -9.05 -0.48 0
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241691 96024019 1 NO2C18H25 AB2C18D25 -98.02 3.23 -8.78 0.53 0
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241692 96024024 1 NO3C13H17 AB3C13D17 -126.42 4.97 -9.14 0.08 0
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241693 96024030 1 NO3C13H17 AB3C13D17 -127.41 6.75 -9.17 0.07 0
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241694 96024032 1 ON2C18H26 AB2C18D26 -57.55 3.61 -8.92 0.38 0
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241695 96024033 1 ON2C18H26 AB2C18D26 -60.29 4.52 -8.87 0.34 0
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241696 96024034 1 ON2C18H26 AB2C18D26 -59.42 5.16 -8.86 0.38 0
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241697 96024035 1 NOC19H23 ABC19D23 -19.47 1.92 -8.59 0.3 0
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241698 96024036 1 NOC19H23 ABC19D23 -16.05 1.62 -8.46 0.48 0
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241699 96024038 1 NOC19H23 ABC19D23 -21.11 0.81 -8.56 0.3 0
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241700 96024039 1 NC20H25 AB20C25 14.18 1.62 -8.74 0.35 0
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241701 96024040 1 NC20H25 AB20C25 16.74 2.27 -8.8 0.49 0
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241702 96024041 1 NC20H25 AB20C25 9.4 2.22 -8.75 0.48 0
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241703 96024045 1 NC20H25 AB20C25 14.83 2.91 -8.7 0.45 0
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241704 96024049 1 NF2C18H19 AB2C18D19 -75.59 4.2 -8.89 -0.04 0
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241705 96024050 1 NF2C18H19 AB2C18D19 -72.57 1.66 -8.75 -0.25 0
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241706 96024051 1 NOC19H23 ABC19D23 -18.32 2.4 -8.79 0.23 0
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241707 96024052 1 NOC19H23 ABC19D23 -14.86 1.92 -8.67 0.4 0
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241708 96024054 1 NOC19H23 ABC19D23 -21.73 3.79 -8.59 0.39 0
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241709 96024055 1 NO2C14H19 AB2C14D19 -87.34 4.75 -8.97 0.27 0
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241710 96024056 1 NO2C14H19 AB2C14D19 -88.43 4.77 -9.11 0.18 0
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241711 96024057 1 NO2C14H19 AB2C14D19 -88.67 5.05 -8.97 0.23 0
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241712 96024060 1 NO2C14H19 AB2C14D19 -97.12 7.6 -9.16 0.08 0
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241713 96024062 1 NO2C14H19 AB2C14D19 -94.87 5.17 -9.16 -0.02 0
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241714 96024064 1 NC20H25 AB20C25 6.08 1.62 -8.66 0.6 0
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241715 96024066 1 NC20H25 AB20C25 0.83 1.78 -8.54 0.57 0
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241716 96024069 1 NO3C17H19 AB3C17D19 -103.7 2.76 -8.63 0.17 0
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241717 96024070 1 NO3C17H19 AB3C17D19 -104.24 4.58 -8.74 0.0 0
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241718 96024082 1 N2C19H20 A2B19C20 41.11 4.28 -8.4 0.13 0
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241719 96024089 1 N2C19H22 A2B19C22 24.38 4.37 -8.02 0.26 0
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241720 96024090 1 N2C19H22 A2B19C22 24.45 3.95 -8.19 0.29 0
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241721 96024097 1 NO2C19H21 AB2C19D21 -56.04 5.33 -8.92 -0.16 0
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241722 96024103 1 NOC20H23 ABC20D23 2.11 1.53 -8.81 0.24 0
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241723 96024104 1 NOC20H23 ABC20D23 0.4 2.8 -8.69 0.25 0
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241724 96024105 1 NOC20H23 ABC20D23 -2.43 3.22 -8.63 0.2 0
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241725 96024108 1 NO2C14H19 AB2C14D19 -94.45 5.71 -9.14 0.13 0