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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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221003 85248177 1 NO4C13H23 AB4C13D23 -97.84 1.18 -9.51 -0.08 0
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221004 85248178 1 NO4C13H23 AB4C13D23 -196.15 2.02 -10.21 0.25 0
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221005 85248181 1 NO2C16H19 AB2C16D19 -72.66 2.85 -8.63 -0.41 0
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221006 85248182 1 SO2N3C11H19 AB2C3D11E19 -87.01 3.36 -9.04 -0.48 0
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221008 85248185 1 IOH7C9 ABC7D9 26.48 3.48 -9.8 -1.52 1
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221009 85248188 1 O2N6C11H13 A2B6C11D13 71.73 3.34 0.0 0.0 0
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221010 85248189 1 O4C15H20 A4B15C20 -180.65 3.7 -9.47 -0.06 0
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221011 85248203 1 SiO3C13H26 AB3C13D26 -144.92 2.38 -9.82 0.93 0
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221012 85248205 1 SiC17H26 AB17C26 -9.95 0.66 -8.3 0.29 0
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221013 85248207 2 ClOC6H6 ABC6D6 -80.54 4.13 -9.65 -0.68 0
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221014 85248209 1 NF3O4C9H16 AB3C4D9E16 -365.72 8.46 -11.13 -0.47 0
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221015 85248211 1 NO6C11H17 AB6C11D17 -256.18 3.01 -9.59 0.04 0
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221016 85248212 1 NO6C11H17 AB6C11D17 -290.51 8.46 -10.48 -0.48 0
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221017 85248215 1 FN3O3C11H20 AB3C3D11E20 -203.8 3.99 -9.61 -0.17 0
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221018 85248216 1 NO5C12H21 AB5C12D21 -242.22 4.29 -10.02 0.21 0
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221019 85248227 1 NO2C16H21 AB2C16D21 -42.42 2.42 -9.21 0.2 0
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221020 85248229 1 NSiO2C14H17 ABC2D14E17 7.5 3.8 -9.36 -0.5 0
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221021 85248230 1 F3O3H11C12 A3B3C11D12 -255.82 2.92 -10.06 -1.13 0
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221022 85248237 1 O4C15H16 A4B15C16 -60.63 1.6 -9.01 0.48 0
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221023 85248254 1 OSiC16H24 ABC16D24 -48.21 2.12 -9.05 0.5 0
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221024 85256147 3 OH4C5 AB4C5 -70.07 8.08 -9.44 -1.2 0
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221025 85256149 1 N2O4C11H16 A2B4C11D16 -160.39 2.8 -9.99 -0.92 0
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221026 85256150 1 N2O4C11H18 A2B4C11D18 -199.15 4.73 -10.1 -0.1 0
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221027 85256151 1 N2O4C11H18 A2B4C11D18 -200.72 5.52 -10.26 -0.13 0
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221031 85256505 1 OSC16H20 ABC16D20 -17.88 3.83 -8.89 -0.33 0
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221032 85256545 2 ON2C6H15 AB2C6D15 -117.1 2.2 -9.2 2.34 0
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221034 85256549 1 ClN2O5C9H13 AB2C5D9E13 -227.99 4.63 -10.41 -0.55 0
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221035 85256550 1 SnO2C8H16 AB2C8D16 -78.76 2.66 -9.86 0.18 0
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221036 85256582 1 O3C16H24 A3B16C24 -136.95 4.01 -9.67 0.66 0
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221037 85256583 1 OC19H20 AB19C20 13.79 3.19 -9.47 -0.52 0
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221038 85256586 2 NC9H10 AB9C10 57.42 3.31 -8.01 0.25 0
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221039 85256588 1 S2O3C11H20 A2B3C11D20 -145.73 4.78 -8.72 -0.27 0
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221040 85256591 1 BrOSF3C6H8 ABCD3E6F8 -183.77 3.15 -8.86 -0.64 0
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221041 85256592 1 BrON2C11H13 ABC2D11E13 -6.31 5.12 -9.13 -0.37 0
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221042 85256597 1 NSO3C13H15 ABC3D13E15 -59.1 2.65 -9.75 -0.61 0
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221043 85256598 1 NOC18H19 ABC18D19 30.59 1.2 -8.16 0.04 0
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221044 85256600 1 N3C17H19 A3B17C19 74.26 3.02 -8.96 0.09 0
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221045 85256601 1 NSO2C14H19 ABC2D14E19 -64.9 5.1 -9.41 -0.36 0
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221046 85256606 1 ON3C13H15 AB3C13D15 24.51 6.06 -8.39 -0.51 0
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221047 85256614 1 O3H14C17 A3B14C17 7.93 2.03 -9.79 -0.38 0
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221048 85256618 1 FO2C16H23 AB2C16D23 -136.73 3.87 -9.57 -0.08 0
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221049 85256621 1 O3C16H26 A3B16C26 -158.86 4.44 -9.71 0.69 0
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221050 85256625 1 ClPO4C10H16 ABC4D10E16 -179.78 5.54 -10.15 0.24 0
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221051 85256626 1 ClO4H11C13 AB4C11D13 -164.36 6.44 -9.57 -0.47 0
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221052 85256638 1 NF2O2C14H15 AB2C2D14E15 -154.75 3.57 -8.99 0.01 0
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221053 85256643 1 NO2C17H17 AB2C17D17 -38.78 4.26 -9.44 -0.48 0
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221054 85256666 1 O4C15H24 A4B15C24 -204.34 2.11 -10.08 0.34 0
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221055 85256681 1 NOSF3C12H12 ABCD3E12F12 -187.74 5.82 -9.48 -0.68 0
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221056 85256684 1 N3O3C14H15 A3B3C14D15 -56.36 6.12 -9.83 -0.26 0
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221057 85256685 1 O4N5C10H15 A4B5C10D15 -122.2 4.15 -9.68 -1.35 0
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221058 85256688 1 NO3C16H19 AB3C16D19 -113.28 2.76 -9.46 0.06 0
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221059 85256690 1 N3O4C12H19 A3B4C12D19 -66.72 2.23 -10.51 -1.76 0
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221060 85256695 1 NOSC15H27 ABCD15E27 -52.73 1.69 -8.49 0.28 0
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221061 85256697 1 NOSiC15H31 ABCD15E31 -100.13 3.66 -8.16 0.47 1
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221063 85256706 1 O5C14H22 A5B14C22 -232.35 3.65 -10.15 0.78 0
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221064 85256709 1 SO2H14C16 AB2C14D16 -28.89 5.29 -8.94 -0.9 0
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221065 85256710 1 O4C15H26 A4B15C26 -221.31 3.29 -10.07 1.86 0
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221066 85256711 2 OC9H11 AB9C11 -67.94 2.48 -9.26 -0.35 0
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221067 85256712 2 OC9H11 AB9C11 -66.9 3.06 -9.27 0.22 0
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221068 85256716 1 O3C16H30 A3B16C30 -175.96 2.36 -9.82 1.85 0
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221069 85256717 1 SiO3C14H26 AB3C14D26 -198.69 1.11 -8.85 0.29 0
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221070 85256718 1 O2C17H34 A2B17C34 -139.21 2.93 -9.77 0.77 0
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221071 85256723 1 NO5C13H21 AB5C13D21 -250.88 3.03 -9.45 0.57 1
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221072 85256724 1 N7C13H18 A7B13C18 110.35 7.97 0.0 0.0 0
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221073 85256729 1 NO3C15H29 AB3C15D29 -156.42 4.0 -10.47 0.56 0
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221074 85256736 1 BC19H33 AB19C33 -54.09 0.45 -9.37 0.67 0
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221075 85256737 1 N2O5C12H20 A2B5C12D20 -255.3 1.94 -10.07 0.54 0
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221076 85256738 1 N2O3C15H16 A2B3C15D16 -40.85 3.19 -9.13 -0.46 0
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221077 85256742 1 N2O4C13H24 A2B4C13D24 -218.32 2.15 -9.65 0.86 0
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221079 85256744 2 NOC8H10 ABC8D10 -61.0 7.09 -9.12 -0.28 0
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221080 85256745 2 NOC8H10 ABC8D10 -5.92 3.18 -8.81 -0.43 0
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221081 85256747 1 SO4C13H20 AB4C13D20 -194.13 3.1 -8.74 0.38 0
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221083 85256752 1 SiO3C14H28 AB3C14D28 -157.11 3.24 -8.62 1.15 0
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221084 85256753 4 C5H8 A5B8 -2.11 1.04 -9.22 1.38 0
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221085 85256759 1 N3O4H11C13 A3B4C11D13 -82.2 4.7 -10.01 -1.16 0