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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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11007 109789 1 SN2O4C8H8 AB2C4D8E8 -119.51 3.43 -9.78 -1.14 0
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11008 109790 1 BrC11H15 AB11C15 -12.41 1.69 -9.12 0.22 0
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11009 109791 1 SN2O4C14H14 AB2C4D14E14 -121.39 10.55 -9.13 -1.03 0
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11010 109792 1 IO4N6C20H21 AB4C6D20E21 46.27 13.75 -8.37 -1.65 0
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11011 109793 1 BrO3N5C19H20 AB3C5D19E20 40.7 7.91 -8.54 -1.71 0
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11012 109811 1 N2O2C7H14 A2B2C7D14 -76.15 4.93 -9.06 0.27 0
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11013 109832 1 SO4N6C24H24 AB4C6D24E24 26.78 2.42 -8.37 -1.6 0
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11014 109833 1 NaSN5O5C30H30 ABC5D5E30F30 -59.55 8.65 -7.78 -0.69 0
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11015 109834 1 SN5O5C30H31 AB5C5D30E31 -21.19 5.83 -8.01 -0.98 0
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11016 109835 1 NaSN2O7H9C14 ABC2D7E9F14 -272.77 9.43 -8.25 -1.81 0
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11018 109950 1 FSO2C10H21 ABC2D10E21 -180.24 5.51 -11.14 0.07 0
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11019 109958 2 OC8H9 AB8C9 -77.32 0.45 -7.97 -0.31 0
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11020 109962 1 NSO2H8F9C11 ABC2D8E9F11 -496.26 4.85 -10.0 -1.13 0
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11021 109964 1 NSO2H8C13F13 ABC2D8E13F13 -688.02 4.91 -9.88 -1.16 0
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11022 109976 2 NNaO3C9H16 ABC3D9E16 -396.56 8.36 -8.22 0.26 0
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11023 110035 1 S4N7O13H27C40 A4B7C13D27E40 -225.06 23.43 -8.92 -1.79 0
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11024 110090 1 SO2N6C20H22 AB2C6D20E22 46.0 3.13 -8.11 -1.32 0
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11025 110096 1 ClN2C27H32 AB2C27D32 48.04 3.34 0.0 0.0 1
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11026 110099 1 ClO2N3C20H22 AB2C3D20E22 20.55 12.12 -8.43 -1.71 0
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11027 110102 1 O3N5C19H20 A3B5C19D20 96.75 16.46 0.0 0.0 1
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11028 110120 1 NC14H20 AB14C20 4.06 1.35 0.0 0.0 1
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11029 110130 2 N2O2H9C12 A2B2C9D12 40.67 7.78 -8.52 -2.06 0
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11030 110131 1 ClN4O4H15C17 AB4C4D15E17 -4.47 1.42 -8.87 -1.98 0
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11031 110132 1 BaN2S2O7H12C20 AB2C2D7E12F20 -319.64 15.81 -9.02 -2.51 0
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11032 110141 1 N3S4O14H21C24 A3B4C14D21E24 -460.52 8.25 -9.02 -2.15 0
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11033 110146 1 BrNOCl2H8C9 ABCD2E8F9 -47.29 3.9 -9.26 -0.78 0
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11034 110154 1 SiN2O3C5H16 AB2C3D5E16 -246.51 1.57 -8.75 1.31 0
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11035 110155 1 ZnS2Cl4N4O4C28H42 AB2C4D4E4F28G42 -147.53 4.66 -8.57 -2.25 0
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11036 110159 1 CuN3S3O10H19C23 AB3C3D10E19F23 -180.67 8.03 0.0 0.0 0
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11037 110164 1 S3N5O11H24C28 A3B5C11D24E28 -251.85 9.83 0.0 0.0 1
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11038 110168 1 N4O4H13C18 A4B4C13D18 -3.91 4.81 0.0 0.0 1
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11039 110171 1 ClSN3O4C14H16 ABC3D4E14F16 -113.39 8.79 -8.53 -1.62 0
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11040 110175 1 S3N5O9H17C22 A3B5C9D17E22 -180.98 9.5 -8.69 -2.36 0
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11041 110187 1 N2O5C16H24 A2B5C16D24 -129.4 8.19 -8.5 -0.62 0
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11042 110189 2 OC6H8 AB6C8 -83.42 4.83 -9.8 -0.62 0
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11043 110201 1 NC16H27 AB16C27 -30.67 1.45 -8.24 0.47 0
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11044 110206 1 ZnP2O4S4C20H44 AB2C4D4E20F44 -402.46 6.78 -9.29 -0.79 0
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11045 110212 1 ClSN4O4C12H13 ABC4D4E12F13 -106.35 5.54 -9.74 -1.4 0
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11046 110214 1 ZnN2O2Cl3C8H9 AB2C2D3E8F9 -91.01 12.5 -9.77 -2.11 0
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11047 110215 1 ZnN2O2Cl3C8H9 AB2C2D3E8F9 -77.84 13.71 -9.66 -2.64 0
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11048 110219 1 ZnCl6N6C16H18 AB6C6D16E18 44.45 13.25 -8.89 -1.73 0
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11050 110230 1 ClPN3F6C10H13 ABC3D6E10F13 -379.14 14.86 -9.46 -2.22 0
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11051 110249 1 SN3O6C20H21 AB3C6D20E21 -168.72 16.71 -8.62 -1.32 0
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11052 110263 2 O2C3H7 A2B3C7 -195.1 5.16 -10.24 1.47 0
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11053 110281 1 TiO5C35H74 AB5C35D74 -344.87 14.31 -6.36 -1.35 0
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11058 110313 1 ClKSN5O5H17C23 ABCD5E5F17G23 -98.42 7.32 -8.58 -0.53 0
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11059 110315 1 NaSN4O6H17C26 ABC4D6E17F26 -79.94 24.9 -8.52 -2.38 0
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11060 110416 1 SN2O7H12C17 AB2C7D12E17 -112.72 6.43 -9.75 -2.78 0
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11061 110430 1 ClSN2O5C39H53 ABC2D5E39F53 -209.23 4.81 -9.02 -1.49 0
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11062 110495 1 ZnCl3N3O3H6C7 AB3C3D3E6F7 -38.03 13.37 -9.89 -3.34 0
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11063 110574 1 NaN2O4H11C17 AB2C4D11E17 -60.13 21.29 -8.15 -1.4 0
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11064 110576 1 ClNNaO2H11C17 ABCD2E11F17 -79.6 2.98 -7.68 -0.36 0
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11065 110589 1 NNaO2H14C18 ABC2D14E18 -83.64 6.34 -7.38 -0.3 0
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11066 110592 1 SO2C7H8 AB2C7D8 -49.37 3.47 -8.71 -0.4 0
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11067 110721 1 N2O3C7H12 A2B3C7D12 -128.4 7.38 -9.79 -0.32 0
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11068 110722 1 NO3C7H11 AB3C7D11 -136.86 6.21 -10.82 -0.3 0
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11069 110723 1 OSCl2N3C23H31 ABC2D3E23F31 -76.66 7.87 -8.99 -0.68 0
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11070 110740 2 OC4H8 AB4C8 -127.82 2.26 -10.94 0.93 0
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11071 110741 1 ClNC13H30 ABC13D30 -97.58 1.03 -8.8 1.91 0
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11072 110751 1 NO7C28H47 AB7C28D47 -322.71 3.85 -8.81 0.05 0
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11073 110778 2 NC3H8 AB3C8 -12.35 2.43 -8.72 2.76 0
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11074 110786 1 OC9H18 AB9C18 -81.58 3.04 -9.86 0.83 0
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11075 110788 2 OC2H4 AB2C4 -78.21 2.19 -9.74 0.15 0
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11076 110791 1 ClNO3C10H14 ABC3D10E14 -143.84 1.33 -9.73 -0.8 0
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11077 110794 1 ClO2C5H9 AB2C5D9 -115.66 3.89 -11.04 -0.3 0
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11078 110795 1 NO4C14H19 AB4C14D19 -172.53 4.7 -8.69 0.25 0
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11079 110798 1 ClNOC3H10 ABCD3E10 -90.4 3.33 -9.42 1.7 0
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11080 110800 1 O4C39H76 A4B39C76 -345.87 3.41 -10.5 0.67 0
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11081 110805 1 ON2C19H22 AB2C19D22 3.53 4.65 -8.62 0.19 0
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11082 110808 1 NaSN4O5H15C17 ABC4D5E15F17 -123.17 5.08 -8.71 -1.13 0
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11083 110821 1 NC16H19 AB16C19 35.76 1.49 -9.0 0.29 0
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11084 110832 1 ClS2N4O7H15C20 AB2C4D7E15F20 -142.44 6.93 -9.43 -1.74 0
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11085 110834 1 OCl2C8H8 AB2C8D8 -47.33 1.4 -9.65 -0.41 0
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11086 110837 2 NO2H6C7 AB2C6D7 -82.72 4.96 -10.76 -1.42 0
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11087 110845 1 O3N5H15C17 A3B5C15D17 79.96 4.21 -8.83 -1.6 0
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11088 110863 1 N4O5H16C17 A4B5C16D17 -28.17 8.41 -8.86 -1.82 0
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11089 110869 2 N3O3H16C17 A3B3C16D17 -49.06 5.08 -9.03 -1.29 0
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11090 110887 1 ON2C16H24 AB2C16D24 -45.51 3.09 -8.84 0.19 0
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11091 110889 1 N3O3C16H21 A3B3C16D21 -120.35 5.47 -9.01 -0.16 0
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11092 110891 1 O2N3C16H23 A2B3C16D23 -84.04 1.83 -9.05 0.1 0
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11093 110893 2 ClN3O3C19H19 AB3C3D19E19 -103.41 3.91 -8.49 -1.53 0
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11094 110895 1 NC5H5O5 AB5C5D5 -200.88 4.84 -11.25 -0.75 0
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11095 110897 4 OC2H3 AB2C3 -186.7 4.25 -10.98 0.16 0
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11096 110899 1 ClN2O2C17H25 AB2C2D17E25 -102.84 1.94 -8.93 0.01 0
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11097 110902 1 O2C11H20 A2B11C20 -133.53 1.75 -10.36 1.01 0
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11098 110904 1 N2O2C11H14 A2B2C11D14 -40.53 2.71 -8.61 0.03 0
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11099 110905 1 C19H40 A19B40 -96.06 0.09 -10.47 4.03 0
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11100 110907 1 O3C7H14 A3B7C14 -147.02 1.16 -10.04 1.87 0
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11101 110908 2 NO2C10H10 AB2C10D10 -33.95 6.5 -8.68 -0.91 0
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11102 110915 1 NSC12H19 ABC12D19 -25.78 1.73 -8.7 0.48 0
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11103 110931 1 NC7H15 AB7C15 -30.02 1.9 -9.26 3.43 0
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11104 110932 1 NC8H17 AB8C17 -33.94 1.89 -9.12 3.6 0
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11105 110944 2 ClC2H3 AB2C3 -19.7 1.41 -10.28 -0.01 0
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11106 110950 2 O2C5H8 A2B5C8 -180.99 2.28 -9.99 -0.39 0
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11107 110951 1 Cl2F2C3H4 A2B2C3D4 -138.52 2.57 -11.22 -0.43 0
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11108 110962 1 SO7C8H14 AB7C8D14 -315.05 7.11 -11.22 -0.44 0
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11109 110972 2 O2C11H15 A2B11C15 -145.06 2.3 -9.73 0.73 0
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11110 110989 2 C5H7 A5B7 9.96 0.21 -9.43 1.33 0
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11111 110990 2 Br2O2C7H7 A2B2C7D7 -147.74 5.2 -10.57 -1.3 0
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11112 111024 1 FNO3C5H10 ABC3D5E10 -193.3 3.78 -10.03 0.4 0