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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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231088 87572604 1 ClO3N10C25H25 AB3C10D25E25 42.21 12.06 -9.39 -1.24 0
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231089 87572606 1 SN3O4C20H29 AB3C4D20E29 -83.54 2.11 -8.49 -0.56 0
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231090 87572609 1 F2S2N3O7H27C31 A2B2C3D7E27F31 -227.06 3.86 -8.95 -1.39 0
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231091 87572610 1 NCl2O2C5H11 AB2C2D5E11 -127.06 4.92 -10.32 0.11 0
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231092 87572614 1 ON3C15H27 AB3C15D27 -36.91 3.87 -8.49 1.12 0
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231093 87572617 1 O2N4C21H22 A2B4C21D22 14.95 4.59 -8.89 -1.18 0
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231094 87572626 1 SO5C19H20 AB5C19D20 -128.48 4.62 -7.99 -0.66 0
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231095 87572627 2 N4O6C34H47 A4B6C34D47 -486.24 9.76 -8.85 -0.22 0
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231096 87572633 1 N2F3O9C26H33 A2B3C9D26E33 -504.32 2.97 -9.13 -0.3 0
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231097 87572634 1 NPSC20H42 ABCD20E42 -79.65 16.99 -7.33 0.89 0
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231098 87572635 1 NPSC20H42 ABCD20E42 -85.14 8.1 -8.65 0.57 1
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231099 87572637 1 PN4C26H56 AB4C26D56 -37.64 3.19 0.0 0.0 0
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231100 87572641 2 FNO5C12H16 ABC5D12E16 -481.46 5.2 -9.01 -0.38 0
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231101 87572642 1 ClIO2N3H13C14 ABC2D3E13F14 36.5 4.5 -8.88 -1.9 0
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231102 87572643 2 PC2O4H6 AB2C4D6 -498.18 5.13 -10.53 -0.13 0
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231104 87572647 1 N2O10C25H36 A2B10C25D36 -405.9 4.4 -8.47 -0.18 0
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231105 87572648 1 NOH13C19 ABC13D19 31.99 3.79 -8.85 -0.81 0
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231108 87572652 1 BPF4C20H44 ABC4D20E44 -432.25 23.77 -10.68 -0.22 0
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231109 87572655 1 ClO2N9C26H32 AB2C9D26E32 23.31 9.9 -9.24 -0.96 0
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231110 87572659 1 BPF4C25H54 ABC4D25E54 -461.97 22.72 -10.94 -0.17 0
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231111 87572662 1 FN2O10C25H35 AB2C10D25E35 -455.77 4.98 -8.95 -0.1 0
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231112 87572663 1 FON2H13C17 ABC2D13E17 39.23 2.34 -9.44 -1.1 0
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231113 87572670 1 ClO2N8C23H29 AB2C8D23E29 9.48 11.86 -9.24 -0.96 0
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231114 87572680 1 N2O3C23H36 A2B3C23D36 -131.62 2.44 -9.26 0.57 0
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231116 87572684 1 SO2N4C17H18 AB2C4D17E18 19.97 6.41 -8.81 -0.7 0
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231117 87572685 1 FN2O8C22H29 AB2C8D22E29 -342.48 4.18 -8.7 0.16 0
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231118 87572692 1 F2N2O8C21H28 A2B2C8D21E28 -387.04 5.69 -8.94 -0.16 0
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231119 87572695 1 SO3H20C22 AB3C20D22 -10.4 19.88 -7.38 -1.94 0
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231120 87572698 1 FO2N9C24H30 AB2C9D24E30 -8.03 8.89 -9.14 -0.9 0
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231121 87572703 1 N3O4C19H29 A3B4C19D29 -193.14 4.38 -8.81 -0.24 0
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231122 87572705 1 ClO2N5C12H18 AB2C5D12E18 -66.03 2.62 -9.42 -0.36 -2
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231123 87572708 1 SN4O5C13H18 AB4C5D13E18 -87.16 4.81 -9.3 -1.52 0
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231124 87572709 1 BNF4O4C21H34 ABC4D4E21F34 -466.65 15.01 -9.74 -1.16 1
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231125 87572710 1 NO4C21H34 AB4C21D34 -117.2 2.82 0.0 0.0 0
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231126 87572711 1 N2O4C25H48 A2B4C25D48 -273.85 6.3 -9.9 0.24 0
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231127 87572714 1 N2F3O7C22H29 A2B3C7D22E29 -440.14 3.89 -9.27 -0.59 0
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231128 87572715 2 O4C37H68 A4B37C68 -619.83 3.35 -10.2 -1.35 0
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231129 87572717 1 NH13C19 AB13C19 91.78 3.3 -8.92 -0.96 0
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231130 87572722 1 NSiC15H33 ABC15D33 -59.3 1.45 -8.24 0.74 0
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231131 87572726 1 NSi2C14H33 AB2C14D33 -65.89 1.28 -7.53 0.76 0
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231132 87572729 1 NSi2C14H30 AB2C14D30 -20.38 5.7 0.0 0.0 0
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231133 87572731 1 NSi2C14H32 AB2C14D32 -38.16 2.38 0.0 0.0 0
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231134 87572732 1 NSi2C18H41 AB2C18D41 -89.84 2.08 -8.46 0.74 0
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231135 87572734 1 NSi2C18H39 AB2C18D39 -26.65 3.25 -7.22 -1.15 0
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231136 87572737 1 ClNSO3C35H36 ABCD3E35F36 -50.01 4.88 -8.6 -1.07 0
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231137 87572738 1 ClN4O4H11C14 AB4C4D11E14 -60.09 8.8 -9.64 -1.28 0
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231138 87572739 2 NO2C12H23 AB2C12D23 -269.82 4.43 -9.85 0.24 0
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231139 87572741 2 NO2C12H23 AB2C12D23 -281.62 5.61 -10.1 0.2 0
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231140 87572744 1 SN2O5C10H20 AB2C5D10E20 -217.49 4.84 -9.56 0.12 0
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231141 87572749 1 N2O4C19H36 A2B4C19D36 -251.03 2.18 -10.16 0.43 0