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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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17718 514493 1 SN3O5C31H41 AB3C5D31E41 -218.2 5.67 -8.76 -0.6 0
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17719 514870 1 Cl2N2O2H10C15 A2B2C2D10E15 -15.9 9.43 -9.2 -1.15 0
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17720 514905 1 NOSCl2C18H19 ABCD2E18F19 -21.42 4.3 -8.83 -0.63 0
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17721 514940 1 O7H18C20 A7B18C20 -228.03 4.01 -8.78 -0.38 0
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17722 515009 1 O2N3C26H33 A2B3C26D33 -54.72 7.0 -8.78 -0.4 0
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17723 515027 1 ClF2S2O3N5H14C21 AB2C2D3E5F14G21 -79.47 1.09 -9.2 -1.64 0
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17724 515229 1 FSO2N3H18C20 ABC2D3E18F20 1.64 5.01 -8.69 -0.44 0
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17725 515301 1 N2O2C27H32 A2B2C27D32 -42.46 1.2 -8.98 -1.04 0
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17726 515467 1 S2F3N6H15C16 A2B3C6D15E16 -23.31 4.32 -9.08 -0.92 0
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17727 515468 1 S2F3N6H15C16 A2B3C6D15E16 -20.97 6.4 -9.13 -0.98 0
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17728 515469 1 S2F3N6H15C16 A2B3C6D15E16 -23.61 5.05 -9.3 -0.97 0
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17729 515470 1 S2N7H15C16 A2B7C15D16 178.13 7.44 -9.2 -1.2 0
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17730 515472 1 ClS2N6C15H15 AB2C6D15E15 129.3 4.51 -8.95 -1.05 0
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17731 515620 1 N3O8C47H81 A3B8C47D81 -499.95 6.8 -9.38 0.36 0
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17732 515622 1 O2N3C7H9 A2B3C7D9 -57.02 3.33 -10.36 0.09 0
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17733 515663 2 OH7C10 AB7C10 -6.26 2.39 -9.14 -1.56 0
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17734 515746 3 N2O2C13H16 A2B2C13D16 -182.8 3.18 -9.3 -0.48 0
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17735 515771 1 SO5N6C38H48 AB5C6D38E48 -156.76 4.25 -9.36 -0.48 0
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17736 515772 1 SO5N6C38H48 AB5C6D38E48 -151.13 7.42 -9.44 -0.67 0
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17737 515953 2 NOH3C5 ABC3D5 1.16 5.46 -9.63 -1.84 0
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17738 515992 1 N2O4C21H22 A2B4C21D22 -11.9 8.62 -9.43 -1.36 0
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17739 516015 1 N4O6C47H50 A4B6C47D50 -146.9 3.77 -9.29 -0.47 0
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17740 516016 1 N4O5C28H34 A4B5C28D34 -153.16 3.85 -9.54 -0.4 0
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17741 516415 1 NOH21C24 ABC21D24 34.76 6.62 -8.32 -0.37 0
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17742 516557 1 N2S2O3C14H18 A2B2C3D14E18 -111.93 4.31 -9.35 -0.77 0
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17743 516692 1 N5C11H13 A5B11C13 58.02 1.65 -8.46 -0.14 0
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17744 516739 1 FN2O2C18H19 AB2C2D18E19 -77.84 4.84 -8.48 -0.63 0
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17745 516878 1 CaH2Mn2O9 AB2C2D9 -363.52 3.5 -8.25 -0.41 0
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17746 516879 1 As2Ca3O8 A2B3C8 -404.76 8.06 -7.24 -0.22 0
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17748 517091 1 NOC10H17 ABC10D17 -26.23 2.13 -9.57 1.12 0
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17749 517099 1 NO2H15C19 AB2C15D19 16.2 4.48 -9.52 -0.86 0
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17750 517106 1 KCl2C3N3O3 AB2C3D3E3 -123.02 10.69 -9.64 -1.26 0
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17751 517107 1 FeOSi2C14H20 ABC2D14E20 -109.71 1.44 -8.36 0.94 0
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17752 517120 1 NNaO3H4C6 ABC3D4E6 -95.07 10.59 -8.58 -0.31 0
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17753 517139 1 ClOC7H7 ABC7D7 -22.43 3.04 -9.48 -0.4 0
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17754 517225 1 NBr2O2C12H19 AB2C2D12E19 -88.21 3.71 -9.28 -0.62 0
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17755 517227 1 ClSO4H5C6 ABC4D5E6 -152.4 6.96 -9.87 -1.28 0
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17756 517422 1 ClNC10H18 ABC10D18 -73.82 6.05 -10.11 2.2 0
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17757 517480 2 O3N4C5H5 A3B4C5D5 -15.8 5.46 -10.29 -1.6 0
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17758 517549 1 ClNO5C28H60 ABC5D28E60 -343.63 5.55 -9.11 1.3 0
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17759 517559 1 NO5C23H23 AB5C23D23 -143.57 3.13 -9.55 -0.98 0
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17760 517571 1 N2S2C5H14 A2B2C5D14 -3.73 6.88 -8.46 0.48 0
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17761 517726 1 NO2C13H19 AB2C13D19 -94.59 2.84 -8.82 0.16 0
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17762 517727 1 Cl3O3C12H13 A3B3C12D13 -140.83 4.52 -8.85 -0.6 0
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17763 517745 1 O3N4H12C13 A3B4C12D13 32.5 6.26 -10.62 -1.92 0
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17764 517746 2 NO2C5H7 AB2C5D7 -138.84 2.25 -10.32 -0.66 0
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17765 518142 1 PSO2C13H29 ABC2D13E29 -212.42 2.52 -9.22 0.51 0
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17766 518143 1 NPSO2Cl3C10H13 ABCD2E3F10G13 -168.3 3.48 -9.32 -0.78 0
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17767 518187 1 O3Cl4C12H12 A3B4C12D12 -148.66 2.83 -9.12 -0.68 0
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17768 518213 1 ON2C28H44 AB2C28D44 -57.94 3.37 -9.11 -0.44 0