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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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129001 51065835 1 FSN2O2C19H21 ABC2D2E19F21 -97.74 4.71 -8.63 -0.49 0
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129002 51065963 2 N2O4C25H25 A2B4C25D25 -246.36 6.3 -8.17 -1.27 0
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129003 51066013 2 N3C7H7 A3B7C7 132.0 5.89 -8.86 -1.34 0
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129004 51066079 1 N2O4H16C19 A2B4C16D19 -59.8 8.65 -8.64 -1.41 0
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129005 51066080 1 BrN2O2H11C17 AB2C2D11E17 19.42 10.18 -9.4 -1.6 0
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129006 51066114 1 SN4C23H24 AB4C23D24 107.32 3.38 -8.8 -0.8 0
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129007 51066164 1 ClFN6H8C9 ABC6D8E9 68.29 3.19 -8.95 -1.68 0
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129008 51066165 1 BrNO3H18C21 ABC3D18E21 -60.59 3.39 -9.13 -0.44 0
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129009 51066181 1 FOS2N3H12C16 ABC2D3E12F16 -2.76 5.36 -8.56 -1.21 0
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129010 51066182 1 O2S2N3H17C22 A2B2C3D17E22 37.23 5.25 -8.42 -1.19 0
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129011 51066330 1 ClN2O2H17C21 AB2C2D17E21 -11.35 2.07 -8.91 -0.34 0
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129012 51066460 1 N2O6H20C21 A2B6C20D21 -184.42 7.18 -9.2 -0.9 -1
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129013 51066541 1 N2O3C19H21 A2B3C19D21 1.73 13.19 0.0 0.0 0
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129014 51066542 1 N2O3C19H22 A2B3C19D22 -38.37 6.08 -8.34 -0.43 0
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129015 51066543 1 ClN2O6C18H25 AB2C6D18E25 -271.91 5.35 -9.59 -0.93 0
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129016 51066566 1 Br2N4O4C35H62 A2B4C4D35E62 -239.16 16.56 -7.66 -0.38 0
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129017 51066620 2 OC7H10 AB7C10 -87.04 2.25 -9.84 0.94 0
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129018 51066643 2 N2O2C5H8 A2B2C5D8 -110.22 0.12 -9.52 -1.14 0
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129019 51066714 1 FO2N3H28C29 AB2C3D28E29 5.95 3.35 -9.13 -0.76 0
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129020 51066715 1 FO2N3C30H30 AB2C3D30E30 -6.01 3.34 -9.02 -0.7 0
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129021 51066767 1 FN3O3C25H28 AB3C3D25E28 -62.21 3.55 -8.99 -0.53 0
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129022 51066768 1 FO2N3C24H28 AB2C3D24E28 -62.91 5.01 -9.0 -0.47 0
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129023 51066812 1 N3O3C33H37 A3B3C33D37 -86.32 5.61 -9.31 -0.14 0
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129024 51066848 1 SN4O5C28H36 AB4C5D28E36 -200.64 8.53 -8.94 -0.55 0
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129025 51066927 1 FOCl2N4H25C27 ABC2D4E25F27 -10.48 4.89 -8.88 -0.54 0
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129026 51066983 1 OCl2N4H24C25 AB2C4D24E25 28.92 4.65 -9.07 -0.35 0
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129027 51067116 1 SF3N3O3H16C19 AB3C3D3E16F19 -202.25 2.93 -8.97 -1.29 0
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129028 51067163 1 SN3O4C24H31 AB3C4D24E31 -160.09 1.68 -8.52 -0.7 0
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129029 51067164 1 FSN3O3C19H22 ABC3D3E19F22 -135.1 7.98 -8.64 -0.78 0
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129030 51067165 1 SCl2O2N3C18H19 AB2C2D3E18F19 -62.49 2.82 -8.64 -1.03 0
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129031 51067229 1 SN3O5C22H27 AB3C5D22E27 -172.53 2.34 -8.76 -0.77 0
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129032 51067297 1 SN3O4C22H23 AB3C4D22E23 -76.87 4.56 -8.88 -0.87 0
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129033 51067388 1 ClSN3O3H18C19 ABC3D3E18F19 -45.69 4.66 -8.95 -1.09 0
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129034 51067393 1 SN4O5C23H28 AB4C5D23E28 -112.58 5.54 -8.41 -0.69 0
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129035 51067484 1 ClF3N4O4H28C29 AB3C4D4E28F29 -231.52 8.26 -8.78 -0.92 0
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129036 51067540 1 ClFN4O4C28H28 ABC4D4E28F28 -100.97 8.03 -8.75 -1.1 0
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129037 51067590 1 N3O7C31H35 A3B7C31D35 -181.0 3.4 -8.14 -0.38 0
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129038 51067732 1 ClSO2N4C21H25 ABC2D4E21F25 -31.31 1.34 -8.88 -0.9 0
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129040 51067859 1 O4N5C30H35 A4B5C30D35 -47.16 5.1 -8.24 -0.37 0
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129041 51067922 1 FN3O3C23H24 AB3C3D23E24 -72.56 4.81 -8.96 -0.63 0
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129042 51067925 1 N3O4C26H33 A3B4C26D33 -116.34 7.02 -8.4 -0.4 0
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129043 51067948 1 FN3O4C25H28 AB3C4D25E28 -117.09 8.89 -8.97 -0.82 0
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129044 51067949 1 F2N3O4H27C28 A2B3C4D27E28 -147.72 8.99 -8.93 -0.78 0
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129045 51068038 1 ClSN3O4C26H26 ABC3D4E26F26 -57.84 1.66 -8.88 -0.64 0
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129046 51068044 1 ClF3N3O3H23C27 AB3C3D3E23F27 -185.83 6.5 -9.06 -0.89 0
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129047 51068045 1 ClN3O4H22C24 AB3C4D22E24 -52.24 1.9 -8.91 -0.74 0
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129048 51068119 1 ClO4N5C27H30 AB4C5D27E30 -55.83 3.41 -8.54 -0.74 0
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129049 51068120 1 ClO3N5C27H34 AB3C5D27E34 -49.35 4.34 -8.59 -0.55 0
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129050 51068121 1 ClSO3N5C27H30 ABC3D5E27F30 -11.53 5.63 -8.39 -0.51 0
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129051 51068122 1 Cl2O3N5C29H31 A2B3C5D29E31 -32.54 4.98 -8.62 -0.62 0
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129052 51068178 1 N4O5C28H30 A4B5C28D30 -95.65 4.36 -8.52 -0.45 0
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129053 51068184 1 ClN4O4C26H33 AB4C4D26E33 -123.99 3.05 -8.89 -0.4 0
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129054 51068384 1 Cl2N3O3H25C28 A2B3C3D25E28 3.93 4.53 -8.76 -0.57 0
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129055 51068444 1 ClO2N3H26C28 AB2C3D26E28 44.78 5.92 -9.16 -0.82 0
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129056 51068445 1 ClFO2N3H23C27 ABC2D3E23F27 6.1 4.12 -9.02 -0.64 0
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129057 51068446 1 ClFO2N3H23C27 ABC2D3E23F27 5.34 3.43 -9.14 -0.74 0
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129058 51068447 1 Cl2O2N3H23C27 A2B2C3D23E27 42.48 3.59 -9.1 -0.82 0
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129059 51068448 1 ClN3O3C23H24 AB3C3D23E24 -11.85 6.07 -9.09 -0.77 0
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129060 51068449 1 ClF2O2N3H24C31 AB2C2D3E24F31 -37.36 5.37 -9.38 -0.94 0
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129061 51068450 1 ClFN3O3H23C29 ABC3D3E23F29 -17.68 5.48 -9.28 -0.9 0
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129062 51068451 1 ClFO2N3H23C26 ABC2D3E23F26 -25.37 4.07 -9.31 -0.92 0
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129063 51068479 1 ClN3O3H24C29 AB3C3D24E29 28.82 6.38 -9.0 -0.6 0
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129064 51068480 1 N3O4H27C30 A3B4C27D30 6.57 7.01 -9.29 -0.68 0
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129065 51068481 1 N3O3C25H25 A3B3C25D25 -6.47 4.83 -8.94 -0.55 0
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129066 51068702 1 N3O4C30H31 A3B4C30D31 -25.23 8.39 -9.0 -0.54 0
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129067 51068708 1 ON5C23H35 AB5C23D35 12.23 4.05 -8.96 -0.32 0
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129068 51068761 1 ON4F5H23C27 AB4C5D23E27 -167.85 3.67 -9.54 -0.69 0
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129069 51068791 1 ClN3O4C29H30 AB3C4D29E30 -52.33 6.91 -8.65 -0.56 0
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129070 51068792 1 ClN3O5C28H28 AB3C5D28E28 -70.55 7.59 -8.76 -0.54 0
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129071 51068793 1 ClN3O4C25H28 AB3C4D25E28 -85.75 8.61 -8.58 -0.31 0
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129072 51068818 1 Cl2N3O3H27C29 A2B3C3D27E29 -27.88 4.7 -8.87 -0.66 0
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129073 51068988 1 FN3O4H26C30 AB3C4D26E30 -41.78 4.32 -8.77 -0.65 0
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129074 51068989 1 FN3O4H26C30 AB3C4D26E30 -46.79 3.92 -8.94 -0.61 0
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129075 51069176 1 FN3O3C28H28 AB3C3D28E28 -49.69 4.54 -9.03 -0.28 0
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129076 51069199 1 FN3O3C26H26 AB3C3D26E26 -51.94 2.52 -9.17 -0.1 0
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129077 51069214 1 ClFO2N3H23C27 ABC2D3E23F27 9.03 3.86 -9.1 -0.41 0
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129078 51069360 1 O3N4C25H32 A3B4C25D32 -46.29 6.73 -8.85 -0.57 0
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129079 51069375 1 O3N4C27H34 A3B4C27D34 -28.0 6.43 -8.81 -0.51 0
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129080 51069445 1 ClFSN3O5C29H29 ABCD3E5F29G29 -142.35 4.32 -8.95 -0.78 0
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129081 51069496 1 FO2N3C26H28 AB2C3D26E28 -14.83 2.62 -9.04 -0.6 0
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129082 51069501 1 FN3O4C28H28 AB3C4D28E28 -84.27 4.18 -9.12 -0.61 0
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129083 51069616 1 ClN3O3C23H24 AB3C3D23E24 -7.7 4.86 -9.04 -0.54 0
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129084 51069666 3 NOC9H11 ABC9D11 -34.56 7.79 -8.59 -0.25 0
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129085 51069685 1 N3O4C28H29 A3B4C28D29 -26.12 6.14 -8.81 -0.27 0
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129086 51069705 1 N3O3C25H31 A3B3C25D31 -44.68 5.77 -8.92 -0.36 0
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129087 51069734 1 ClN3O4H26C30 AB3C4D26E30 -7.96 1.69 -8.47 -0.4 0
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129088 51069755 1 ClN3O4C30H30 AB3C4D30E30 -53.3 2.48 -8.68 -0.58 0
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129089 51069823 1 ClN3O3C30H30 AB3C3D30E30 -17.36 7.01 -8.98 -0.32 0
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129090 51069824 1 N3O4C26H31 A3B4C26D31 -81.36 7.58 -8.98 -0.22 0
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129091 51069825 1 N3O4C31H33 A3B4C31D33 -55.23 6.41 -8.87 0.0 0
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129092 51069826 1 SO2N3C27H27 AB2C3D27E27 54.26 6.3 -8.8 -0.59 0
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129093 51069827 1 FN3O4H22C27 AB3C4D22E27 -29.63 4.59 -9.19 -0.53 0
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129094 51069828 1 FN3O3H24C25 AB3C3D24E25 -40.38 5.05 -9.3 -0.42 0
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129095 51069829 1 ClO2N4C24H27 AB2C4D24E27 15.04 2.74 -8.87 -0.46 0
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129096 51069830 1 ClO2N4C25H31 AB2C4D25E31 -26.47 5.77 -8.73 -0.57 0
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129097 51069831 1 ClO2N4C23H27 AB2C4D23E27 -9.94 5.18 -8.89 -0.47 0
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129098 51069901 1 O3N4H22C25 A3B4C22D25 24.99 4.08 -9.66 -1.2 0
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129099 51069902 1 O3N4H24C26 A3B4C24D26 17.38 6.28 -9.52 -0.86 0
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129100 51069931 1 O3N5C18H25 A3B5C18D25 -46.85 2.31 -8.57 -0.84 0
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129101 51069932 1 O3N4C16H22 A3B4C16D22 -56.53 1.03 -8.88 -0.65 0