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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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80210 49833539 1 BN2O7C23H29 AB2C7D23E29 -329.2 11.18 -8.2 -0.8 1
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80211 49833540 1 BN2O7C23H30 AB2C7D23E30 -319.7 4.92 0.0 0.0 0
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80212 49833596 1 ClN2O5H25C27 AB2C5D25E27 -136.42 2.49 -8.78 -0.51 0
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80213 49833601 1 ClON8H25C31 ABC8D25E31 118.43 2.45 -8.48 -0.86 0
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80214 49833606 1 ClO4N5C26H28 AB4C5D26E28 -92.82 3.99 -8.71 -0.8 0
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80215 49833609 1 FON6H19C25 ABC6D19E25 53.62 2.91 -8.8 -1.11 0
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80216 49833611 1 FON6H19C23 ABC6D19E23 33.55 3.45 -8.65 -1.09 0
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80217 49833615 1 ClSO3N4C21H21 ABC3D4E21F21 -40.29 10.58 -8.44 0.06 0
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80218 49833625 1 ClS2F3N4O4H20C22 AB2C3D4E4F20G22 -233.14 2.26 -9.82 -1.46 0
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80219 49833626 1 ClS2F3O3N5C26H27 AB2C3D3E5F26G27 -207.37 3.5 -8.7 -1.44 0
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80220 49833628 1 ClSO3F4N6H33C34 ABC3D4E6F33G34 -227.48 7.64 -8.49 -1.2 0
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80221 49833632 1 SF3O4N7H20C27 AB3C4D7E20F27 -181.74 10.38 -9.64 -2.02 0
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80222 49833639 1 ClN4C13H17 AB4C13D17 71.09 2.54 -8.91 -0.42 0
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80223 49833642 1 Cl2N3O5C31H33 A2B3C5D31E33 -151.42 6.36 -8.76 -0.49 0
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80224 49833645 1 ClFN2O4H22C26 ABC2D4E22F26 -124.87 3.56 -8.72 -0.47 0
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80225 49833647 1 SN4O4H20C23 AB4C4D20E23 -25.16 4.92 -8.44 -0.86 0
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80226 49833648 1 Cl2S2O3N7H15C22 A2B2C3D7E15F22 85.17 7.37 -9.56 -1.49 0
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80227 49833651 1 FCl2O4N8H31C38 AB2C4D8E31F38 12.13 7.53 -9.38 -1.23 0
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80228 49833656 1 Cl2F3O5N8H31C38 A2B3C5D8E31F38 -136.3 7.76 -9.31 -1.48 0
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80229 49833657 1 ClO2N3H10C13 AB2C3D10E13 41.27 4.2 -9.59 -1.0 0
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80230 49833659 1 F2N3O4H9C14 A2B3C4D9E14 -124.73 2.61 -9.73 -1.11 0
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80231 49833662 1 SN2O5H20C23 AB2C5D20E23 -62.39 8.72 -9.18 -1.01 0
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80232 49833663 1 ClO2N3C19H20 AB2C3D19E20 19.91 2.57 -9.12 -0.45 0
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80233 49833667 1 O4N10C27H34 A4B10C27D34 -37.14 3.42 -8.62 -1.07 0
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80234 49833675 2 FON3C11H12 ABC3D11E12 -100.45 6.99 -8.89 -0.82 0
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80235 49833676 1 O3N7C22H25 A3B7C22D25 -41.11 5.09 -8.85 -0.8 0
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80236 49833678 1 FO3N5H26C28 AB3C5D26E28 -59.79 8.96 -9.08 -0.68 0
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80237 49833679 1 FO3N6C24H27 AB3C6D24E27 -95.7 8.11 -8.93 -0.81 0
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80238 49833684 1 FO3N4H27C30 AB3C4D27E30 -56.27 2.39 -8.91 -0.5 0
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80239 49833685 1 FO2N4C25H27 AB2C4D25E27 -60.37 2.31 -8.89 -0.52 0
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80240 49833699 1 FO2N4C29H29 AB2C4D29E29 -49.49 4.32 -8.73 -0.4 0
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80241 49833701 1 FN2O2C23H25 AB2C2D23E25 -85.49 5.88 -8.73 -0.97 0
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80242 49833706 1 FN2O3H15C17 AB2C3D15E17 -109.71 5.89 -8.58 -0.88 0
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80243 49833707 1 ClN2O2H15C17 AB2C2D15E17 -29.49 3.15 -8.85 -1.07 0
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80244 49833708 1 Cl2S2F3O5N8C21H23 A2B2C3D5E8F21G23 -216.17 12.32 -8.97 -0.84 0
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80245 49833709 1 S2O5N9C19H21 A2B5C9D19E21 -11.51 14.23 -8.98 -1.36 1
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80246 49833713 1 S2F6N8O10C24H25 A2B6C8D10E24F25 -563.14 11.28 0.0 0.0 0
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80249 49833730 1 BN3O6C15H16 AB3C6D15E16 -273.67 8.82 -8.54 -0.66 0
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80250 49833732 1 SN6O8C39H48 AB6C8D39E48 -255.6 4.53 -8.83 -0.95 0
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80251 49833733 1 SN7O8C39H49 AB7C8D39E49 -247.67 3.62 -8.95 -0.72 0
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80252 49833738 1 ClSiN3O5C36H48 ABC3D5E36F48 -244.94 8.31 -8.5 -0.29 0
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80253 49833741 1 IN3O5C30H34 AB3C5D30E34 -10.44 21.81 -8.04 -1.86 0
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80254 49833746 1 SiN3O5C34H45 AB3C5D34E45 -267.51 4.7 -8.72 -0.19 0
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80255 49833749 1 ON4C12H12 AB4C12D12 51.85 1.56 -9.54 -0.86 0
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80256 49833754 1 SN2O4C14H18 AB2C4D14E18 -149.92 5.48 -10.05 -0.6 0
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80257 49833756 1 NO3C16H19 AB3C16D19 -118.35 4.61 -9.65 -0.4 0
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80258 49833761 1 O3N4C25H26 A3B4C25D26 -54.19 2.46 -8.81 -0.64 0
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80260 49833766 1 NBr2O5H13C18 AB2C5D13E18 -109.45 5.35 -8.22 -1.18 0
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80261 49833773 1 BrFN2O2C19H20 ABC2D2E19F20 -66.92 4.2 -9.26 -0.62 0
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80262 49833776 1 BrO2N3C26H36 AB2C3D26E36 -41.3 3.04 -8.52 -0.34 0