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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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40953 8145013 1 N3O5C20H28 A3B5C20D28 -179.82 3.77 0.0 0.0 0
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40954 8145014 1 N3O5C20H27 A3B5C20D27 -205.08 2.33 -8.95 -0.18 1
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40955 8145015 1 N3O4C18H30 A3B4C18D30 -185.28 4.22 0.0 0.0 0
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40956 8145016 1 N3O4C18H29 A3B4C18D29 -209.45 0.41 -9.01 0.32 0
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40957 8145018 1 N3O4C18H29 A3B4C18D29 -209.03 1.62 -9.01 0.29 0
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40958 8145020 1 SN2O3C19H30 AB2C3D19E30 -137.71 7.45 -9.49 -0.96 0
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40959 8145022 1 N3O4C18H29 A3B4C18D29 -208.73 2.91 -8.95 0.22 1
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40960 8145023 1 N3O4C18H30 A3B4C18D30 -187.04 3.74 0.0 0.0 1
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40961 8145025 1 N2O4C20H27 A2B4C20D27 -143.72 7.08 0.0 0.0 0
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40962 8145026 2 NO2C10H13 AB2C10D13 -152.28 4.83 -8.94 -1.22 0
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40963 8145027 1 N3O7H13C16 A3B7C13D16 -76.87 8.25 -9.93 -1.67 0
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40964 8145031 2 N2O2C7H11 A2B2C7D11 -88.55 8.63 -9.72 -0.55 0
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40965 8145032 1 SO2N6H16C20 AB2C6D16E20 92.79 5.95 -9.09 -1.2 1
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40966 8145033 1 SO3N4C21H31 AB3C4D21E31 -64.69 6.17 0.0 0.0 0
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40967 8145034 1 SO3N4C21H30 AB3C4D21E30 -83.81 7.22 -8.08 -0.34 0
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40968 8145036 2 NO2C9H11 AB2C9D11 -142.24 3.9 -8.94 -1.28 1
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40969 8145039 1 SO3N4C21H31 AB3C4D21E31 -64.84 5.39 0.0 0.0 0
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40970 8145040 1 SO3N4C21H30 AB3C4D21E30 -83.87 4.03 -8.19 -0.38 0
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40971 8145041 1 SN2O3C21H26 AB2C3D21E26 -57.5 7.4 -8.37 -0.6 0
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40972 8145042 1 SO2N3H15C17 AB2C3D15E17 55.35 9.56 -9.16 -1.47 1
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40973 8145045 1 SO2N5C22H26 AB2C5D22E26 29.78 4.21 0.0 0.0 0
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40974 8145046 1 SO2N5C22H25 AB2C5D22E25 13.05 2.04 -8.38 -0.97 0
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40975 8145047 1 ON2S2C15H16 AB2C2D15E16 30.62 2.88 -8.75 -0.94 0
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40976 8145048 1 ClOSN2H15C18 ABCD2E15F18 8.6 7.36 -9.3 -0.95 0
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40977 8145052 1 SO3N4C16H20 AB3C4D16E20 -53.38 6.46 -8.82 -1.25 1
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40978 8145053 1 SO2N3C19H28 AB2C3D19E28 -56.04 5.11 0.0 0.0 0
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40979 8145055 1 ClSN2O2C19H19 ABC2D2E19F19 -2.5 4.38 -8.83 -0.43 1
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40980 8145058 1 SO2N4C20H27 AB2C4D20E27 8.04 5.95 0.0 0.0 1
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40981 8145060 1 FSO2N4C18H24 ABC2D4E18F24 -59.12 4.57 0.0 0.0 0
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40982 8145063 1 OSN2H18C19 ABC2D18E19 9.82 6.45 -8.86 -0.66 0
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40983 8145066 1 FSO2N4C18H23 ABC2D4E18F23 -75.06 5.9 -8.22 -0.79 0
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40984 8145069 1 OSN2H18C19 ABC2D18E19 10.87 8.41 -9.16 -0.7 0
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40985 8145070 1 NO6C22H25 AB6C22D25 -196.49 3.92 -9.51 -0.13 0
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40986 8145071 1 ClFN2O2H18C22 ABC2D2E18F22 -66.61 5.69 -9.03 -0.48 0
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40987 8145072 1 NO6C22H25 AB6C22D25 -196.18 2.48 -9.67 -0.38 1
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40988 8145073 1 SO2N4C19H27 AB2C4D19E27 -20.36 5.36 0.0 0.0 0
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40989 8145076 1 OS2N3H17C19 AB2C3D17E19 65.64 7.0 -9.15 -0.58 1
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40990 8145077 1 SO2N4C21H29 AB2C4D21E29 2.52 5.22 0.0 0.0 0
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40991 8145078 1 SO2N4C21H28 AB2C4D21E28 -16.09 3.47 -8.21 -0.14 0
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40992 8145079 1 NO6C22H25 AB6C22D25 -196.5 3.86 -9.49 -0.14 0
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40993 8145086 1 SN3O5C19H25 AB3C5D19E25 -138.4 2.98 -8.53 -0.5 1
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40994 8145090 1 S2N3O3C15H20 A2B3C3D15E20 -45.17 7.49 0.0 0.0 0
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40995 8145091 1 S2N3O3C15H19 A2B3C3D15E19 -58.3 5.61 -8.68 -1.21 1
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40996 8145092 1 O2S2N3H18C21 A2B2C3D18E21 78.92 6.51 0.0 0.0 1
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40997 8145094 1 ClSO3N4C18H24 ABC3D4E18F24 -67.55 6.92 0.0 0.0 0
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40998 8145095 1 ClSO3N4C18H23 ABC3D4E18F23 -63.5 10.81 -8.23 -1.32 1
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40999 8145096 1 SO2N4C19H27 AB2C4D19E27 -24.45 4.55 0.0 0.0 0
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41000 8145097 1 SO2N4C19H26 AB2C4D19E26 -26.46 7.09 -8.25 -1.08 1
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41001 8145100 1 N3O4C22H32 A3B4C22D32 -153.92 3.6 0.0 0.0 0
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41002 8145105 1 SO2N3C22H29 AB2C3D22E29 -63.43 3.55 -7.84 -0.17 1
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41003 8145106 1 SO3N4C19H27 AB3C4D19E27 -69.49 4.5 0.0 0.0 0
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41004 8145107 1 SO3N4C19H26 AB3C4D19E26 -69.13 4.2 -8.09 -0.54 1
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41005 8145108 1 OS2N4C19H19 AB2C4D19E19 57.72 4.89 0.0 0.0 0
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41006 8145109 1 OS2N4H18C19 AB2C4D18E19 44.54 3.86 -8.47 -1.04 0
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41007 8145111 1 SO3N4C21H28 AB3C4D21E28 -52.06 5.77 -8.09 -0.42 1
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41008 8145112 1 SO3N4C19H27 AB3C4D19E27 -52.35 6.68 0.0 0.0 0
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41009 8145113 1 SO3N4C19H26 AB3C4D19E26 -70.76 5.51 -8.12 -0.36 0
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41010 8145115 1 SO3N4C20H28 AB3C4D20E28 -77.17 6.77 -8.18 -0.39 0
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41011 8145117 1 SO3N4C21H28 AB3C4D21E28 -53.6 5.42 -8.14 -0.3 1
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41012 8145118 1 SO2N4C19H27 AB2C4D19E27 -20.52 5.52 0.0 0.0 1
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41013 8145120 1 SO3N4C18H25 AB3C4D18E25 -58.79 5.96 0.0 0.0 0
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41014 8145123 1 ClOSN4H15C18 ABCD4E15F18 43.82 5.17 -9.27 -0.96 1
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41015 8145124 1 ClSO2N4C18H24 ABC2D4E18F24 -20.82 4.22 0.0 0.0 0
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41016 8145125 1 ClSO2N4C18H23 ABC2D4E18F23 -37.49 3.11 -8.24 -0.81 1
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41017 8145126 1 SO2N4C19H27 AB2C4D19E27 -22.95 6.03 0.0 0.0 1
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41018 8145128 1 SO2N4C19H27 AB2C4D19E27 -8.28 7.02 0.0 0.0 0
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41019 8145129 1 SO2N4C19H26 AB2C4D19E26 -36.99 3.16 -8.18 -0.02 1
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41020 8145130 1 SO3N4C20H21 AB3C4D20E21 -6.23 5.84 0.0 0.0 0
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41021 8145131 1 SO3N4C20H20 AB3C4D20E20 -19.57 5.02 -8.57 -0.96 1
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41022 8145132 1 NO5C21H28 AB5C21D28 -207.78 9.71 0.0 0.0 0
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41023 8145133 1 NO5C21H27 AB5C21D27 -221.37 2.77 -8.86 -0.72 1
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41024 8145134 1 SN3O3C19H26 AB3C3D19E26 -65.44 7.33 0.0 0.0 1
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41025 8145136 1 S2O3N4C16H23 A2B3C4D16E23 -49.24 7.53 0.0 0.0 0
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41026 8145138 1 N3O5C19H21 A3B5C19D21 -104.52 1.87 -8.59 -0.58 1
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41027 8145139 1 SN3O3C18H24 AB3C3D18E24 -47.34 15.07 0.0 0.0 0
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41028 8145140 1 SN3O3C18H23 AB3C3D18E23 -73.48 6.52 -8.67 -0.79 1
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41029 8145141 1 SN3O5C19H26 AB3C5D19E26 -129.09 5.57 0.0 0.0 1
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41030 8145143 1 O2S2N4C14H23 A2B2C4D14E23 -23.16 16.04 0.0 0.0 0
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41031 8145145 4 NH4C5 AB4C5 117.14 8.58 -8.75 -1.2 1
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41032 8145146 1 SN3O4C19H26 AB3C4D19E26 -87.84 7.6 0.0 0.0 0
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41033 8145147 1 SN3O4C19H25 AB3C4D19E25 -111.84 4.4 -8.69 -0.28 1
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41034 8145150 1 N2O6C19H23 A2B6C19D23 -198.69 8.17 0.0 0.0 0
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41035 8145152 1 BrO2N3C18H18 AB2C3D18E18 -8.24 2.78 -9.5 -0.9 1
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41036 8145153 1 N4O4C16H21 A4B4C16D21 -28.73 8.85 0.0 0.0 0
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41037 8145156 1 OSN4H18C19 ABC4D18E19 48.51 6.25 -9.2 -0.87 1
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41038 8145157 1 OSN5C23H30 ABC5D23E30 69.36 6.29 0.0 0.0 0
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41039 8145158 1 OSN5C23H29 ABC5D23E29 50.4 3.05 -8.25 -0.24 1
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41040 8145159 1 SO2N5C22H28 AB2C5D22E28 49.87 3.83 0.0 0.0 1
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41041 8145161 1 OSN5C23H30 ABC5D23E30 68.49 2.52 0.0 0.0 0
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41042 8145162 1 OSN5C23H29 ABC5D23E29 51.28 3.94 -8.33 -0.2 1
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41043 8145164 1 OSN4C19H19 ABC4D19E19 59.21 3.18 0.0 0.0 1
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41044 8145166 1 O3N4C19H29 A3B4C19D29 -85.09 3.1 0.0 0.0 0
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41045 8145167 1 O3N4C19H28 A3B4C19D28 -107.45 2.63 -7.93 0.17 1
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41046 8145168 1 O3N4C19H29 A3B4C19D29 -85.01 0.88 0.0 0.0 0
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41047 8145169 1 O3N4C19H28 A3B4C19D28 -105.01 1.51 -8.0 0.16 1
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41048 8145171 1 SO2N3C20H24 AB2C3D20E24 18.76 5.45 0.0 0.0 0
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41049 8145172 1 SO2N3C20H23 AB2C3D20E23 -0.24 3.81 -8.62 -0.7 0
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41050 8145174 1 OS2N3C20H23 AB2C3D20E23 38.01 3.45 -8.44 -0.88 0
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41051 8145176 1 OCl2N3H15C16 AB2C3D15E16 44.09 4.91 -9.63 -1.11 0
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41052 8145180 1 OSN6C20H24 ABC6D20E24 97.23 3.17 -8.73 -0.75 0