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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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144039 53304275 1 N3O8C26H31 A3B8C26D31 -235.2 5.65 -8.43 -0.68 0
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144040 53304388 2 FO2H10C12 AB2C10D12 -207.41 2.61 -8.9 -0.96 0
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144041 53304742 1 PO10C32H33 AB10C32D33 -394.5 8.14 -9.88 -0.82 0
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144042 53304757 1 ClNSiO4C30H52 ABCD4E30F52 -265.1 1.98 -8.9 -0.6 0
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144043 53304911 1 BSiF2N2C24H27 ABC2D2E24F27 -105.91 7.25 -7.72 -0.8 0
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144044 53304950 1 ClON5H14C21 ABC5D14E21 90.87 0.44 -9.18 -1.33 0
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144045 53304957 1 Cl2S2O3N7H27C29 A2B2C3D7E27F29 25.95 8.16 -8.77 -1.46 0
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144046 53304958 1 ClS2O3N7H28C29 AB2C3D7E28F29 19.77 7.52 -8.22 -1.26 0
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144047 53304959 1 ClS2O3N7H30C34 AB2C3D7E30F34 61.45 5.62 -8.83 -0.85 0
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144048 53304960 1 NOC27H41 ABC27D41 -64.87 7.67 -8.52 -0.27 0
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144049 53304961 1 FSN3H12C17 ABC3D12E17 78.24 4.99 -8.84 -1.0 0
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144050 53304970 1 ClOSN3C26H32 ABCD3E26F32 3.51 6.47 -8.05 -1.13 0
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144051 53304971 1 N2O3C22H30 A2B3C22D30 -99.17 8.21 -8.7 -1.12 0
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144052 53305095 1 O3C11H18 A3B11C18 -135.41 1.32 -9.87 1.43 0
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144053 53305096 1 NO6C44H69 AB6C44D69 -364.58 4.0 -9.43 0.27 0
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144054 53305234 2 NSO2F3H8C9 ABC2D3E8F9 -398.74 2.75 -9.84 -1.28 0
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144055 53305270 1 O5C17H28 A5B17C28 -236.0 4.71 -9.97 -0.77 0
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144056 53305271 1 O5C21H36 A5B21C36 -248.65 5.58 -9.93 -0.84 0
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144057 53305511 2 O3C14H18 A3B14C18 -219.87 3.54 -8.9 -0.52 0
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144058 53305512 4 O2C8H11 A2B8C11 -294.35 3.11 -8.89 -0.41 0
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144059 53305931 1 N3O3H19C24 A3B3C19D24 12.06 5.95 -8.15 -1.02 0
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144060 53306176 1 O2N3C7H11 A2B3C7D11 -51.71 4.9 -9.96 -0.21 0
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144061 53306445 1 NO5C40H61 AB5C40D61 -253.23 5.28 -9.34 0.7 0
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144062 53306777 1 BrClO2C12H12 ABC2D12E12 -47.96 2.5 -9.05 -0.58 0
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144063 53306807 1 BrSN2O2H21C23 ABC2D2E21F23 -2.09 8.44 -8.76 -0.4 0
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144064 53307216 1 ISN3C29H36 ABC3D29E36 75.86 6.32 -7.86 -0.83 0
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144065 53307315 1 SO2N9C21H29 AB2C9D21E29 0.64 7.29 -8.88 -1.14 0
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144067 53307317 1 N5C11H25 A5B11C25 -1.8 4.25 -9.05 0.75 0
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144068 53307318 1 ClN5C12H26 AB5C12D26 -11.08 2.35 -9.22 0.64 0
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144069 53307319 1 N5C12H25 A5B12C25 25.99 1.97 -9.34 0.81 0
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144070 53307320 1 ClN5C15H32 AB5C15D32 -48.03 2.45 -9.43 0.75 0
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144071 53307321 1 N5C15H31 A5B15C31 -12.39 1.6 -9.2 0.66 0
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144072 53307322 1 ClN5C15H26 AB5C15D26 2.49 2.68 -9.23 0.39 0
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144073 53307323 5 NC3H5 AB3C5 34.74 3.64 -9.4 0.3 0
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144074 53307324 1 ClO2N3C22H26 AB2C3D22E26 -42.29 3.81 -9.31 -1.1 0
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144075 53307325 1 O2N3C24H31 A2B3C24D31 -57.89 3.6 -8.88 -0.64 0
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144076 53307381 2 NOC6H6 ABC6D6 17.6 2.08 -9.14 -0.42 0
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144077 53307406 1 ClO2N3C23H28 AB2C3D23E28 -54.31 6.45 -9.16 -1.07 0
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144080 53308212 1 N2O5C31H46 A2B5C31D46 -191.5 4.49 -9.46 -0.73 0
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144081 53308533 1 NOH17C18 ABC17D18 51.99 0.47 -8.83 -0.45 0
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144082 53308534 1 BrClNO10C18H19 ABCD10E18F19 -345.69 10.9 -9.73 -1.34 0
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144083 53308535 1 NOC13H15 ABC13D15 14.12 0.65 -8.86 -0.42 0
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144084 53308549 1 NOC15H17 ABC15D17 28.27 0.53 -9.3 0.1 0
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144085 53308553 1 ClNO10C18H20 ABC10D18E20 -355.51 6.69 -9.79 -1.4 0
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144086 53308554 1 NOC13H15 ABC13D15 15.2 0.78 -8.77 -0.43 0
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144087 53308698 1 NO2C20H21 AB2C20D21 -43.28 6.64 -8.24 -0.43 0
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144088 53308994 1 ClN3O7H26C27 AB3C7D26E27 -126.28 3.47 -9.78 -0.83 0
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144089 53310065 1 NF3H14C16 AB3C14D16 -111.81 2.41 -8.79 -0.06 0
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144090 53310294 1 ON2F3H17C21 AB2C3D17E21 -84.63 5.27 -8.65 -0.92 0
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144091 53310336 1 SO3N4H30C42 AB3C4D30E42 106.39 5.48 -8.78 -1.11 0
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144092 53310376 1 SO3N5H13C20 AB3C5D13E20 38.83 6.38 -9.37 -1.75 0
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144093 53310378 1 OSN5C7H9 ABC5D7E9 38.64 8.31 -8.88 -0.9 0
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144094 53310921 1 SSiO3C21H32 ABC3D21E32 -123.66 5.41 -9.37 0.05 0
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144095 53311161 1 ClO6C18H21 AB6C18D21 -213.29 3.13 -8.61 -0.31 0
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144096 53311250 1 ClO4C19H21 AB4C19D21 -146.5 1.25 -8.56 0.17 0
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144097 53311375 2 NO2H11C13 AB2C11D13 -38.74 7.64 -8.47 -0.69 0
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144098 53311554 1 N2O8H28C29 A2B8C28D29 -199.84 4.3 -8.62 -0.78 0
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144099 53311555 1 N2O5H24C27 A2B5C24D27 -96.6 2.09 -8.59 -0.81 0
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144100 53311556 1 ON6C26H32 AB6C26D32 33.4 4.59 -8.7 -0.52 0
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144101 53311994 1 OSN4H14C18 ABC4D14E18 86.22 2.25 -8.68 -1.26 0
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144102 53312095 1 O2F3N4H19C20 A2B3C4D19E20 -164.95 2.71 -9.19 -0.9 0
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144103 53312179 1 O7C22H30 A7B22C30 -258.75 5.08 -8.43 -0.16 0
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144104 53312229 1 OSN7C24H31 ABC7D24E31 43.18 4.18 -8.41 -0.68 0
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144105 53312230 1 ON6C24H28 AB6C24D28 40.77 2.27 -8.76 -0.6 0
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144106 53312231 1 SO3N4C18H18 AB3C4D18E18 -26.24 2.65 -8.72 -0.41 -1
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144107 53312622 1 ClO2N3C21H21 AB2C3D21E21 79.81 2.69 0.0 0.0 -1
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144108 53312683 1 ClSO3N4C11H14 ABC3D4E11F14 3.89 6.51 0.0 0.0 -1
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144109 53312684 1 ClOSN3H11C14 ABCD3E11F14 105.22 6.9 0.0 0.0 0
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144110 53312907 1 F3O4N5H18C26 A3B4C5D18E26 -156.81 3.16 -8.84 -0.86 1
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144111 53313458 1 FeSF3N4O5C15H25 ABC3D4E5F15G25 -306.03 15.47 -8.62 -0.72 -1
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144112 53313833 1 ClN2O5C16H24 AB2C5D16E24 -141.81 2.88 0.0 0.0 -1
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144113 53313834 1 ClO2N5C24H29 AB2C5D24E29 64.4 6.84 0.0 0.0 -1
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144114 53314086 1 ClO2N6C27H36 AB2C6D27E36 66.91 4.25 0.0 0.0 -1
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144115 53314087 1 ClSO2N7C28H29 ABC2D7E28F29 141.78 5.66 0.0 0.0 -1
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144116 53314088 1 ClO2N3C19H21 AB2C3D19E21 53.04 4.63 0.0 0.0 0
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144117 53314949 1 SO3N4C23H24 AB3C4D23E24 -36.62 5.4 -9.41 -0.67 0
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144118 53314950 1 OSF3N4C17H17 ABC3D4E17F17 -138.58 5.7 -9.47 -1.32 0
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144120 53315654 1 O3N5C26H29 A3B5C26D29 12.39 8.37 -8.99 -1.4 0
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144121 53316449 1 NSO2C9H17 ABC2D9E17 -80.28 4.12 -8.21 0.96 0
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144122 53316635 1 ClO2N7C23H40 AB2C7D23E40 -98.82 4.8 -9.1 -0.03 0
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144123 53316755 1 ClNO4H24C26 ABC4D24E26 -75.14 4.37 -8.2 -0.38 0
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144124 53317033 1 N4O15C50H86 A4B15C50D86 -714.58 4.73 -8.29 0.19 0
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144125 53317209 1 O3N6C22H32 A3B6C22D32 -78.46 6.68 -9.29 -1.43 0
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144126 53317210 1 FN2O3C21H31 AB2C3D21E31 -210.66 6.72 -9.2 -0.43 0
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144127 53317903 1 BrO2N6C24H25 AB2C6D24E25 43.94 3.11 -8.09 -0.57 0
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144128 53317904 1 N2S2O5C28H28 A2B2C5D28E28 -157.19 7.79 -8.41 -1.06 0
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144129 53317905 1 Cl2S2N3O4H25C27 A2B2C3D4E25F27 -108.59 7.98 -8.86 -1.19 0
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144130 53317907 1 NO2H15C18 AB2C15D18 -23.45 4.63 -8.7 -0.73 0
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144131 53318075 1 N3C13H17 A3B13C17 40.9 3.99 -8.68 -0.09 0
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144132 53318776 1 NO4C22H41 AB4C22D41 -248.46 6.79 -10.37 -0.95 0
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144133 53318904 1 O3N4C20H20 A3B4C20D20 -46.47 8.82 -8.98 -1.57 0
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144134 53318905 1 O3N4C20H20 A3B4C20D20 -46.47 12.09 -8.94 -1.52 0
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144135 53319016 1 ClON3C16H20 ABC3D16E20 -27.94 4.88 -8.6 -0.34 0
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144136 53319017 1 NO8C19H19 AB8C19D19 -238.69 3.12 -8.29 -1.12 0
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144137 53319349 2 NH8C10 AB8C10 119.54 7.76 -7.9 -1.16 0
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144138 53319632 2 O3C16H26 A3B16C26 -337.43 2.19 -9.08 0.84 0
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144139 53319633 1 O4C19H28 A4B19C28 -204.37 2.28 -9.18 -0.13 0
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144140 53319634 1 O4C23H28 A4B23C28 -164.94 2.28 -9.23 -0.19 0
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144141 53319998 1 Cl2O2N7C26H27 A2B2C7D26E27 30.52 3.76 -9.11 -1.1 0
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144142 53319999 1 NPO9C26H26 ABC9D26E26 -363.38 6.2 -9.75 -0.86 0