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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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137012 52137660 1 SO3N4C19H22 AB3C4D19E22 -25.85 6.27 -8.72 -0.8 0
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137013 52137924 1 SN4C10H20 AB4C10D20 26.48 6.07 -8.57 0.11 0
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137014 52138294 1 ClSN3C12H18 ABC3D12E18 39.97 5.4 -8.77 -0.38 0
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137015 52138429 1 SN4C12H24 AB4C12D24 18.61 5.84 -8.58 0.1 0
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137016 52138466 1 SO2N6C21H32 AB2C6D21E32 -46.15 8.51 -8.46 -0.74 0
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137017 52138467 1 SO3N6C20H30 AB3C6D20E30 -74.72 6.25 -8.65 -0.96 0
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137018 52139013 1 SN4C13H24 AB4C13D24 41.39 4.59 -8.66 0.1 0
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137019 52139098 1 OSN5C16H21 ABC5D16E21 51.45 12.23 -9.35 -0.91 0
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137020 52139204 1 OSN4C13H20 ABC4D13E20 15.22 7.94 -8.97 -0.39 1
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137021 52140044 1 FON2C17H22 ABC2D17E22 -37.27 6.27 0.0 0.0 0
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137022 52140045 1 FON2C17H21 ABC2D17E21 -50.6 1.21 -8.93 -0.87 0
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137023 52140387 1 O3N4C16H26 A3B4C16D26 -108.73 4.38 -8.96 -0.55 0
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137024 52140405 1 N2O2C11H18 A2B2C11D18 -66.96 2.56 -9.07 0.3 0
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137025 52140499 1 N2O3C12H22 A2B3C12D22 -143.91 1.77 -9.09 0.4 0
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137026 52140567 2 ON2C5H8 AB2C5D8 -12.54 6.72 -8.78 -0.05 0
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137027 52140840 1 SC11H16 AB11C16 -1.25 1.8 -8.48 0.21 0
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137028 52141646 1 OSC11H16 ABC11D16 -34.69 2.35 -8.67 0.16 0
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137029 52141666 1 SN2O2C11H18 AB2C2D11E18 -77.06 11.37 -9.12 -0.27 0
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137030 52141740 1 NOSC10H19 ABCD10E19 -60.2 3.18 -8.58 0.49 0
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137031 52141885 1 O3N4C15H24 A3B4C15D24 -114.06 3.9 -8.88 -0.54 0
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137032 52142011 1 ON4C14H20 AB4C14D20 -5.89 6.43 -9.55 -0.38 0
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137033 52142012 1 ON4C13H18 AB4C13D18 -1.27 7.0 -9.59 -0.42 0
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137034 52142124 1 BrON3C11H14 ABC3D11E14 22.14 3.33 -9.48 -0.37 0
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137035 52142435 1 SO2N3C8H13 AB2C3D8E13 -44.43 2.33 -9.23 -0.65 0
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137036 52142455 1 OSN2C12H14 ABC2D12E14 20.72 2.52 -9.12 -0.5 0
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137037 52142629 1 SO2N4C14H20 AB2C4D14E20 -37.51 8.06 -9.54 -1.22 0
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137038 52142907 1 SO3N5C18H25 AB3C5D18E25 -75.67 1.21 -8.95 -0.91 0
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137039 52142908 1 SO3N5C20H27 AB3C5D20E27 -67.78 5.82 -9.0 -0.91 0
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137040 52142941 1 SN3O3C12H19 AB3C3D12E19 -75.49 2.98 -8.83 -0.62 0
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137041 52142942 1 SN3O3C12H19 AB3C3D12E19 -74.45 5.45 -8.83 -0.65 1
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137042 52142943 1 SO2N3C10H18 AB2C3D10E18 -53.43 4.1 0.0 0.0 0
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137043 52143116 1 SO3N4C14H14 AB3C4D14E14 -12.34 10.06 -9.54 -1.6 0
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137044 52143117 1 SO3N4C15H16 AB3C4D15E16 -12.85 7.56 -9.47 -1.43 0
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137045 52143277 1 SO2N5H17C18 AB2C5D17E18 68.08 6.5 -8.98 -0.96 0
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137046 52143348 1 SO3N7C16H19 AB3C7D16E19 -2.85 8.28 -8.87 -0.95 0
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137047 52143479 1 SO2N6C16H20 AB2C6D16E20 19.18 7.84 -9.51 -1.4 0
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137048 52143790 1 SO3N5C13H17 AB3C5D13E17 -40.33 2.23 -9.35 -1.01 0
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137049 52144639 1 SO2N6C17H26 AB2C6D17E26 -20.67 4.98 -8.96 -0.69 1
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137050 52144685 1 SN6C17H27 AB6C17D27 76.66 4.33 0.0 0.0 0
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137051 52144992 1 OSN6C16H26 ABC6D16E26 6.9 2.25 -9.28 -0.79 0
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137052 52144993 1 OSN6C15H24 ABC6D15E24 15.44 3.13 -9.48 -0.87 0
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137053 52145013 1 SO2N7C16H21 AB2C7D16E21 52.44 9.55 -8.47 -1.0 0
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137054 52145152 1 SO3N7C21H27 AB3C7D21E27 -23.31 9.9 -8.98 -0.76 0
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137055 52145334 1 SO2N5C12H17 AB2C5D12E17 -3.75 6.03 -8.95 -0.74 0
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137056 52145352 1 SO2N5C12H17 AB2C5D12E17 -12.9 5.23 -8.99 -0.77 0
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137057 52145598 1 OSN6C16H24 ABC6D16E24 24.37 5.66 -8.69 -0.15 0
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137058 52145684 1 SO2N5C12H15 AB2C5D12E15 14.19 5.85 -8.96 -0.74 0
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137059 52145815 1 NOSC18H23 ABCD18E23 -17.55 1.61 -8.71 -0.54 1
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137060 52146546 1 OSN2C9H15 ABC2D9E15 2.64 3.9 0.0 0.0 0
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137061 52147371 1 SO2F3N6C14H17 AB2C3D6E14F17 -159.79 9.55 -9.26 -0.93 0
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137062 52147704 1 FOSN3C19H20 ABCD3E19F20 -46.93 2.84 -8.28 -0.57 0
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137063 52147938 1 OSN5C18H23 ABC5D18E23 10.4 4.32 -8.24 -0.5 0
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137064 52147994 1 SO2N3C18H25 AB2C3D18E25 -85.13 5.21 -8.16 -0.44 0
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137065 52148073 1 SO2N4C21H24 AB2C4D21E24 -43.85 3.92 -8.48 -0.92 0
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137066 52148140 1 OSN6C21H26 ABC6D21E26 21.73 1.02 -8.55 -0.85 0
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137067 52148460 1 ClOSN3C18H20 ABCD3E18F20 4.43 7.92 -8.86 -0.85 1
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137068 52148759 1 O3N4C20H27 A3B4C20D27 -85.79 4.53 0.0 0.0 0
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137069 52148761 1 N3O4C21H35 A3B4C21D35 -173.84 2.48 -8.68 0.06 0
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137070 52148842 1 SN2O2C17H22 AB2C2D17E22 -43.29 5.58 -8.86 -0.96 0
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137071 52148908 1 F2N2O4C19H20 A2B2C4D19E20 -206.99 2.49 -8.45 -0.8 0
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137072 52148954 1 OSN3C21H25 ABC3D21E25 -12.48 4.02 -8.2 -0.48 1
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137073 52149055 1 FOSN4C24H30 ABCD4E24F30 -32.06 2.88 0.0 0.0 0
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137074 52149386 2 ON3C9H10 AB3C9D10 38.68 4.18 -8.37 -0.54 0
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137075 52149387 1 N6H10C11 A6B10C11 111.46 6.66 -8.63 -1.0 0
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137076 52149608 1 SN7C16H17 AB7C16D17 122.85 4.16 -8.88 -0.74 0
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137077 52150042 1 ClN4H11C16 AB4C11D16 119.4 8.26 -9.19 -1.3 0
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137078 52150043 1 FN4H11C16 AB4C11D16 82.2 9.87 -9.1 -1.22 0
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137079 52150044 1 FN4H11C16 AB4C11D16 81.3 8.34 -9.19 -1.29 1
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137080 52150074 1 FN5H19C20 AB5C19D20 108.12 16.75 0.0 0.0 0
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137081 52150075 1 FN5H18C20 AB5C18D20 92.26 8.2 -9.14 -1.57 1
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137082 52150076 1 FN5H19C20 AB5C19D20 108.32 17.37 0.0 0.0 0
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137083 52150172 1 N5H17C20 A5B17C20 127.99 10.58 -8.85 -1.03 0
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137084 52150173 2 N2H8C9 A2B8C9 118.63 10.02 -8.97 -1.17 0
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137085 52150193 1 ON4C16H18 AB4C16D18 44.28 8.55 -9.19 -1.45 0
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137086 52150194 1 ON4C16H18 AB4C16D18 44.24 8.17 -9.23 -1.48 1
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137087 52150274 1 N5C22H24 A5B22C24 136.48 16.94 0.0 0.0 0
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137088 52150943 1 NO5H17C19 AB5C17D19 -103.25 0.94 -9.02 -1.2 -1
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137089 52150944 1 NO5H16C19 AB5C16D19 -76.13 2.97 0.0 0.0 0
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137090 52151232 1 N3O4C22H23 A3B4C22D23 -56.97 2.46 -9.03 -1.08 0
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137091 52151233 1 N3O4C22H23 A3B4C22D23 -54.44 18.27 -8.09 -0.4 0
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137092 52151450 2 NO3C13H15 AB3C13D15 -147.33 4.03 -8.63 -0.88 0
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137093 52151451 2 NO3C13H15 AB3C13D15 -153.51 16.24 -8.12 -0.19 0
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137094 52151452 2 NO3C13H15 AB3C13D15 -154.21 1.34 -8.72 -1.13 0
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137095 52151453 2 NO3C13H15 AB3C13D15 -146.99 15.26 -8.12 -0.75 0
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137096 52151454 2 NO3C13H15 AB3C13D15 -154.23 1.74 -8.67 -1.17 0
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137097 52151456 2 NO3C14H17 AB3C14D17 -166.32 2.98 -8.3 -1.15 0
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137098 52151457 2 NO3C14H17 AB3C14D17 -161.9 17.7 -7.97 -0.19 0
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137099 52151546 1 N3O3C17H21 A3B3C17D21 -69.35 16.26 -8.31 -0.04 0
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137100 52151677 1 N2O3C20H26 A2B3C20D26 -95.15 2.88 -8.74 -0.88 0
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137101 52151987 1 N3O3C26H35 A3B3C26D35 -84.56 16.47 -7.8 0.22 0
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137102 52151988 1 N3O3C26H35 A3B3C26D35 -103.84 9.4 -8.78 -0.52 0
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137103 52152552 1 SN2O3C18H24 AB2C3D18E24 -85.28 2.16 -9.06 -0.69 0
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137104 52152553 1 SN2O3C18H24 AB2C3D18E24 -83.73 16.65 -7.97 -0.26 0
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137105 52152554 1 SN2O3C18H24 AB2C3D18E24 -86.91 3.22 -8.98 -0.86 0
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137106 52152691 1 N3O5C25H33 A3B5C25D33 -160.53 8.49 -8.24 -0.38 0
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137107 52152692 1 N3O5C26H35 A3B5C26D35 -149.29 11.64 -7.52 0.09 0
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137108 52152693 1 N3O5C26H35 A3B5C26D35 -162.76 6.6 -8.07 -0.27 0
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137109 52152827 1 N2O5C23H32 A2B5C23D32 -174.62 1.19 -8.39 -0.8 0
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137110 52152828 1 N2O5C23H32 A2B5C23D32 -166.39 19.46 -7.79 -0.46 0
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137111 52152829 1 N2O5C23H32 A2B5C23D32 -175.99 4.24 -8.56 -0.66 0