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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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46046 10520704 1 O4H18C21 A4B18C21 -64.93 1.82 -9.12 -0.93 0
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46047 10520758 1 ClSO2C18H19 ABC2D18E19 -70.2 7.64 -9.2 -0.76 0
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46048 10520763 1 NBr2O2H9C10 AB2C2D9E10 -72.57 3.45 -9.19 -0.77 1
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46049 10520772 1 ClN2C18H20 AB2C18D20 43.77 2.24 0.0 0.0 0
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46050 10520781 1 NO4H17C20 AB4C17D20 -101.25 7.91 -9.17 -0.98 0
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46051 10520798 1 ON5C19H21 AB5C19D21 33.79 2.69 -8.62 -0.37 0
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46052 10520814 1 NOC23H29 ABC23D29 -22.99 3.37 -8.43 -0.19 1
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46053 10520821 1 NO2C14H22 AB2C14D22 -97.8 2.2 0.0 0.0 0
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46054 10520834 1 OSH11C13 ABC11D13 40.87 7.0 0.0 0.0 0
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46055 10520837 1 SF3O7C10H15 AB3C7D10E15 -458.45 2.85 -10.39 -1.45 0
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46056 10520874 1 N2O2C21H24 A2B2C21D24 -25.51 5.1 -8.55 -1.1 0
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46057 10520917 1 O2S3N5H7C11 A2B3C5D7E11 85.09 5.26 -9.55 -2.0 0
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46058 10520923 1 NO3C21H23 AB3C21D23 -84.84 5.05 -8.75 -0.25 0
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46059 10520946 1 ClON5H12C17 ABC5D12E17 129.65 5.74 -9.24 -1.54 0
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46060 10520959 1 FNCl2O2H10C16 ABC2D2E10F16 -91.23 3.97 -9.55 -1.28 0
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46061 10520988 1 SN2O6C13H26 AB2C6D13E26 -297.59 3.0 -9.94 0.08 0
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46062 10520990 1 SN2O2H18C19 AB2C2D18E19 -6.92 5.09 -8.49 -1.05 0
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46063 10520994 1 O5C19H30 A5B19C30 -250.45 3.83 -9.65 -0.24 0
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46064 10520996 1 O3C22H26 A3B22C26 -110.12 4.07 -8.82 0.11 0
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46065 10520997 2 NO2C9H15 AB2C9D15 -168.04 2.09 -8.87 0.78 0
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46066 10521023 1 N3C10H15 A3B10C15 31.06 1.08 -8.04 0.47 0
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46067 10521036 1 NO5H17C19 AB5C17D19 -112.59 4.02 -8.89 -1.89 0
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46068 10521045 1 NO4C20H21 AB4C20D21 -111.33 7.59 -9.68 -0.17 0
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46069 10521100 1 O7C17H24 A7B17C24 -291.92 2.22 -8.85 0.12 0
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46070 10521101 5 OC4H4 AB4C4 -153.4 2.71 -10.0 -0.7 0
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46071 10521120 1 N2O3C20H24 A2B3C20D24 -115.89 1.75 -9.07 -0.38 0
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46072 10521138 1 N2O2C21H28 A2B2C21D28 -45.72 4.4 -8.56 0.18 0
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46073 10521150 1 SiO3C19H36 AB3C19D36 -192.91 4.96 -9.02 0.51 0
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46074 10521169 1 NO5C19H19 AB5C19D19 -158.55 2.87 -9.14 -0.28 0
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46075 10521175 1 FNO3C20H20 ABC3D20E20 -119.51 2.27 -8.94 -0.3 0
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46076 10521208 1 NSiO4C17H31 ABC4D17E31 -240.66 4.37 -8.82 0.12 0
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46077 10521222 1 ClNSO3C16H20 ABCD3E16F20 -124.37 6.59 -8.89 -1.03 0
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46078 10521265 2 N2O2C8H15 A2B2C8D15 -162.56 4.85 -9.64 0.17 0
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46079 10521334 1 N5C21H21 A5B21C21 110.87 8.35 -8.3 -1.14 0
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46080 10521343 1 NOC24H25 ABC24D25 40.52 1.48 -8.97 0.02 0
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46081 10521344 1 NO2S2H17C18 AB2C2D17E18 -3.85 2.57 -8.51 -0.4 0
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46082 10521351 1 O2Cl3H13C16 A2B3C13D16 -49.39 2.32 -8.78 -0.48 0
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46083 10521360 1 ISiO2C11H25 ABC2D11E25 -144.5 1.62 -9.67 -0.76 0
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46084 10521362 1 O7H16C18 A7B16C18 -210.17 2.58 -8.74 -0.44 0
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46085 10521383 1 O4C21H28 A4B21C28 -107.18 4.0 -9.06 0.07 0
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46086 10521398 1 O3C22H32 A3B22C32 -96.42 4.2 -8.73 0.28 0
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46087 10521405 1 SO2C21H28 AB2C21D28 -88.65 4.19 -9.14 -0.03 0
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46088 10521411 1 SiO2C21H32 AB2C21D32 -76.78 2.11 -8.64 0.23 0
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46089 10521413 1 SiO3C19H40 AB3C19D40 -261.27 2.07 -8.73 0.89 0
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46090 10521435 1 N3O3H15C20 A3B3C15D20 -7.09 3.1 -8.31 -1.7 0
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46091 10521447 1 O2N3H19C21 A2B3C19D21 20.95 3.96 -8.32 -1.0 0
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46092 10521453 1 NO4C20H27 AB4C20D27 -182.49 2.6 -9.4 -0.32 0
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46093 10521465 1 NSO2C20H27 ABC2D20E27 -76.98 5.25 -9.34 -0.38 0
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46094 10521470 1 NSiO4C17H35 ABC4D17E35 -276.86 4.77 -8.99 0.24 0
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46095 10521481 1 BrNO3H12C16 ABC3D12E16 -9.92 3.57 -8.97 -0.78 0
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46096 10521508 1 SO7C15H22 AB7C15D22 -286.66 6.8 -9.58 -0.35 0
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46097 10521520 1 N2O4C19H26 A2B4C19D26 -186.88 2.06 -10.39 -0.4 0
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46098 10521522 2 NOC11H11 ABC11D11 42.43 3.56 -8.87 0.26 0
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46099 10521526 1 SO6C16H26 AB6C16D26 -274.76 6.9 -9.81 -0.05 0
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46100 10521534 1 ON2C23H26 AB2C23D26 49.8 4.94 -7.89 0.27 0
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46101 10521585 1 SO3N5C15H17 AB3C5D15E17 25.1 9.18 -9.39 -1.43 0
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46102 10521592 1 NS2O6C13H17 AB2C6D13E17 -229.3 3.58 -9.26 -0.82 0
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46103 10521614 1 ON3C22H25 AB3C22D25 37.51 2.29 -9.14 -0.18 0
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46104 10521668 1 SO3N6C14H16 AB3C6D14E16 31.29 5.32 -9.22 -2.16 0
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46105 10521683 1 SO5C18H20 AB5C18D20 -132.81 7.46 -9.66 -0.67 0
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46106 10521842 1 S2O3C18H22 A2B3C18D22 -109.84 5.05 -8.65 -0.68 0
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46107 10521845 1 N2O2C21H38 A2B2C21D38 -130.15 2.11 -9.44 1.22 0
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46108 10521868 1 O3N5H17C18 A3B5C17D18 12.81 4.63 -9.11 -1.03 0
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46109 10521965 1 NO3C14H19 AB3C14D19 -32.88 2.29 -8.84 -0.1 0
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46110 10522008 1 NSO6C16H19 ABC6D16E19 -231.39 5.12 -10.25 -0.77 0
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46111 10522010 1 NO4C21H23 AB4C21D23 -142.07 7.91 -9.45 -0.45 0
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46112 10522024 1 NOH23C25 ABC23D25 60.56 0.89 -7.93 -0.22 0
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46113 10522047 1 SN2O7C14H14 AB2C7D14E14 -247.17 8.78 -10.18 -1.5 0
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46114 10522052 1 NSeC20H20 ABC20D20 113.79 3.56 0.0 0.0 0
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46115 10522082 1 PS2O3C16H19 AB2C3D16E19 -104.83 1.72 -8.26 -0.6 0
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46116 10522091 1 N2O5C18H30 A2B5C18D30 -278.38 4.83 -9.46 0.4 0
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46117 10522092 1 N2O5C18H30 A2B5C18D30 -233.53 3.25 -9.62 0.21 0
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46118 10522106 1 O3C23H30 A3B23C30 -130.63 2.54 -9.2 -0.55 0
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46119 10522108 1 SN2O3C18H30 AB2C3D18E30 -108.49 5.38 -8.26 -0.55 0
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46120 10522138 1 PN3O5C15H22 AB3C5D15E22 -243.02 4.59 -9.21 -0.52 0