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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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128294 51037839 1 ClF3N3H11C16 AB3C3D11E16 -89.31 3.17 -9.15 -1.18 0
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128295 51037967 1 OF3N5C20H20 AB3C5D20E20 -123.28 4.33 -8.6 -0.68 0
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128296 51037968 1 O2F3N4H19C20 A2B3C4D19E20 -159.77 7.77 -8.58 -0.74 0
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128297 51038006 1 SN4O5H20C22 AB4C5D20E22 -77.27 7.26 -8.98 -1.25 0
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128298 51038007 2 SN2O2H10C11 AB2C2D10E11 -48.28 3.27 -8.77 -1.07 0
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128299 51038008 1 ClS2N4O4H19C22 AB2C4D4E19F22 -54.75 6.18 -8.89 -1.3 0
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128301 51038186 1 ClS2O3H13C16 AB2C3D13E16 -91.21 3.22 -8.94 -1.14 0
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128302 51038267 1 OF3N6H19C27 AB3C6D19E27 0.92 6.12 -9.16 -1.54 0
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128303 51038373 2 N2O3C15H19 A2B3C15D19 -241.37 6.31 -8.66 -0.36 0
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128304 51038489 1 ClOSF3N3H9C14 ABCD3E3F9G14 -122.62 5.51 -8.76 -1.55 0
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128305 51038490 1 SO2F3N3H12C18 AB2C3D3E12F18 -134.82 5.64 -8.81 -1.56 0
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128306 51038491 1 ClOSF3N3H11C18 ABCD3E3F11G18 -103.31 3.25 -8.44 -1.01 1
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128307 51038551 1 F4O4N10H29C31 A4B4C10D29E31 -84.8 13.46 0.0 0.0 0
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128308 51038566 1 O8N9C44H55 A8B9C44D55 -271.92 7.33 -8.72 -1.05 0
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128309 51038584 1 F2N2O3C29H36 A2B2C3D29E36 -180.23 4.27 -8.87 -0.43 0
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128310 51038671 1 N2Br4O4C21H22 A2B4C4D21E22 -124.09 4.48 -8.81 -1.9 0
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128311 51038680 1 S2O4N5H21C23 A2B4C5D21E23 -40.27 2.24 -9.21 -0.91 0
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128314 51038782 1 O4N7C36H45 A4B7C36D45 -129.75 4.54 -8.48 -0.73 0
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128315 51038819 2 N3O4C18H24 A3B4C18D24 -334.6 12.55 -9.02 -0.71 0
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128316 51038820 1 N3F5H14C20 A3B5C14D20 -158.07 10.5 -8.95 -1.01 0
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128317 51038836 1 N3O4H23C26 A3B4C23D26 -32.5 5.74 -8.91 -0.79 0
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128318 51038843 1 FO3N6C21H23 AB3C6D21E23 -73.07 4.51 -8.68 -1.01 0
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128319 51038910 1 NOC11H19 ABC11D19 -81.77 3.0 -9.12 2.7 0
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128320 51039057 1 ClO2N4C12H13 AB2C4D12E13 -49.8 7.65 -9.09 -0.72 0
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128321 51039243 1 ClFSN2H4C12 ABCD2E4F12 103.46 3.36 -9.54 -1.6 0