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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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434311 135174671 1 NPO4F5H21C23 ABC4D5E21F23 -385.72 6.2 -9.5 -1.17 0
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434312 135174674 1 ClNPO3C17H21 ABCD3E17F21 -158.04 6.68 -9.31 -0.26 0
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434313 135174677 1 PO4N5C17H20 AB4C5D17E20 -119.74 5.14 -9.14 -0.58 1
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434314 135174678 1 PO3N5C16H17 AB3C5D16E17 -13.87 7.96 0.0 0.0 0
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434315 135174679 1 N3C16H33 A3B16C33 -35.88 3.15 -8.26 2.73 0
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434316 135174680 1 NS2C10H21 AB2C10D21 -32.46 2.79 -8.62 -1.04 0
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434317 135174681 1 PO4N7C23H28 AB4C7D23E28 -99.83 3.66 -8.86 -0.52 0
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434318 135174682 1 PO4N8C22H29 AB4C8D22E29 -90.34 5.01 -8.61 -0.03 0
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434319 135174683 1 PO4N6C26H33 AB4C6D26E33 -128.63 3.06 -9.0 -0.44 0
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434320 135174684 1 N2O3C20H24 A2B3C20D24 -58.76 4.5 -9.01 -0.82 0
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434321 135174685 1 O2N5C42H61 A2B5C42D61 -37.92 5.42 -8.07 0.27 0
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434322 135174686 1 NO4C25H37 AB4C25D37 -144.07 6.9 -8.86 -0.3 0
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434323 135174687 1 SN4O4C31H38 AB4C4D31E38 -130.51 5.63 -9.19 -0.76 0
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434324 135174688 1 SO7N9C61H69 AB7C9D61E69 -153.21 4.02 -9.11 -0.82 0
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434325 135174689 2 NO3C10H16 AB3C10D16 -162.69 7.83 -9.9 0.2 0
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434326 135174690 1 BrOCl2N2C19H21 ABC2D2E19F21 -13.91 2.55 -9.21 -0.72 0
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434327 135174691 1 N2O6C19H30 A2B6C19D30 -156.23 6.51 -9.95 0.04 0
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434328 135174692 1 SF3N8O8C45H45 AB3C8D8E45F45 -323.31 6.86 -8.33 -1.59 0
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434329 135174693 1 ON3C12H23 AB3C12D23 -45.13 2.99 -8.64 0.73 0
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434330 135174694 1 ON3C14H27 AB3C14D27 -55.57 4.75 -8.64 0.79 0
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434331 135174695 1 N2O4C13H26 A2B4C13D26 -168.8 4.14 -8.85 0.42 0
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434332 135174696 1 NO2C7H11 AB2C7D11 -41.74 4.1 -10.54 -0.06 0
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434333 135174697 1 BrOCl2N2C21H23 ABC2D2E21F23 13.23 4.04 -9.13 -0.77 0
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434334 135174698 1 NO2C20H33 AB2C20D33 -109.08 5.18 -8.78 0.08 0
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434335 135174699 1 NO3C20H25 AB3C20D25 -92.56 6.01 -8.47 -0.18 0
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434336 135174700 1 NO2C16H25 AB2C16D25 -86.43 1.37 -8.8 0.32 0
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434337 135174704 1 FNO2C19H28 ABC2D19E28 -137.87 5.67 -9.17 0.07 0
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434338 135174705 1 NSO3C15H19 ABC3D15E19 -75.17 2.46 -8.89 -1.0 0
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434339 135174711 1 NPC8H20 ABC8D20 -38.9 2.64 -9.18 1.81 0
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434340 135174712 1 NF2O3C21H39 AB2C3D21E39 -287.93 2.26 -8.53 1.59 0
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434341 135174713 1 O2N6C45H88 A2B6C45D88 -167.98 4.29 -8.17 2.1 0
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434342 135174716 2 NO3C15H18 AB3C15D18 -108.55 1.5 -8.65 0.11 0
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434343 135174717 1 BrClON3C20H25 ABCD3E20F25 -2.49 2.66 -9.04 -0.62 0
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434344 135174718 1 BrClN2O2C24H28 ABC2D2E24F28 -9.77 3.16 -8.78 -0.76 0
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434345 135174720 1 N2O5C30H36 A2B5C30D36 -80.59 6.28 -8.72 0.03 0
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434346 135174721 1 S2F3O7N11C55H64 A2B3C7D11E55F64 -265.27 9.4 -8.16 -0.8 0
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434347 135174725 1 F2S2O7N8C50H54 A2B2C7D8E50F54 -269.82 15.0 -8.82 -1.29 0
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434348 135174727 1 O4N6C37H58 A4B6C37D58 -148.94 9.58 -8.24 0.33 0
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434349 135174729 1 N2O3C13H26 A2B3C13D26 -158.09 1.1 -8.66 0.68 0
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434350 135174731 1 SO3C18H20 AB3C18D20 -75.23 1.88 -8.84 -0.28 0
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434351 135174733 1 O4C25H36 A4B25C36 -156.64 3.51 -8.43 0.04 0
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434352 135174750 1 N6O6H36C43 A6B6C36D43 -42.78 7.07 -9.14 -1.52 0
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434353 135174754 1 O2F3N3C23H30 A2B3C3D23E30 -204.33 9.15 -9.09 -0.95 0
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434354 135174755 1 BrN2O2F3C24H30 AB2C2D3E24F30 -213.86 3.56 -8.86 -1.16 0
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434355 135174769 1 NSO2C11H23 ABC2D11E23 -104.49 2.53 -8.98 0.11 0
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434356 135174770 1 NO3C16H21 AB3C16D21 -83.81 4.09 -8.79 -0.96 0
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434357 135174772 1 SN2O3C19H24 AB2C3D19E24 -57.9 9.52 -9.16 -0.66 0
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434358 135174775 1 N2C21H26 A2B21C26 48.19 0.64 -8.85 -0.27 0
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434359 135174776 1 NO2C19H29 AB2C19D29 -79.6 4.48 -8.83 0.29 0
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434360 135174777 1 BrClO3N4C23H24 ABC3D4E23F24 -27.0 1.76 -9.21 -0.84 0