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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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9855 93967 1 O2H12C13 A2B12C13 -41.15 1.89 -8.63 -0.83 0
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9856 93969 1 NCl2O5H19C20 AB2C5D19E20 -181.39 7.27 -9.25 -1.02 0
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9857 93972 1 OBr4H4C7 AB4C4D7 -13.17 2.98 -9.49 -1.06 0
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9858 94016 1 NNaSO3H8C10 ABCD3E8F10 -125.73 5.87 -8.38 -0.36 0
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9859 94018 1 NC17H19 AB17C19 38.74 1.3 -8.6 -0.13 0
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9860 94019 1 NC18H21 AB18C21 33.88 1.27 -8.6 -0.13 0
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9861 94021 1 O3C12H20 A3B12C20 -102.62 4.93 -9.6 0.68 0
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9862 94022 1 NO2C15H15 AB2C15D15 -57.57 7.9 -8.12 -0.6 0
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9863 94035 1 NO6C21H29 AB6C21D29 -247.83 1.93 -8.82 0.13 0
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9864 94063 2 NO3C11H14 AB3C11D14 -135.55 7.04 -9.24 -1.23 0
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9865 94069 1 N2O4H14C21 A2B4C14D21 -75.25 6.77 -8.46 -1.93 0
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9866 94109 1 NO3C11H15 AB3C11D15 -112.08 7.25 -9.61 -0.41 0
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9867 94137 1 OC10H14 AB10C14 -1.7 1.39 -9.59 1.12 0
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9868 94154 1 C5O5H12 A5B5C12 -236.32 1.87 -10.71 1.58 0
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9869 94160 1 N2O4C21H24 A2B4C21D24 -139.18 3.37 -8.88 -0.21 0
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9870 94183 2 OH5C11 AB5C11 18.26 0.0 -9.08 -2.16 0
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9871 94192 4 OC6H9 AB6C9 -224.41 8.04 -10.06 0.41 0
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9872 94229 1 NO3C13H17 AB3C13D17 -128.31 1.98 -9.51 0.21 0
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9873 94230 1 O2N3C13H15 A2B3C13D15 -63.58 2.82 -8.72 -0.26 0
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9874 94240 1 O2H12C15 A2B12C15 -15.62 2.14 -9.41 -0.78 0
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9875 94244 1 N2O3C12H24 A2B3C12D24 -175.53 4.7 -9.96 0.11 0
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9876 94319 1 SN2O10C44H68 AB2C10D44E68 -462.69 1.68 -8.34 -1.05 0
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9877 94329 2 NOC10H12 ABC10D12 -26.6 3.63 -8.68 -0.66 0
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9878 94353 2 NC11H15 AB11C15 29.5 1.61 -8.49 0.34 0
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9879 94359 1 NZr AB 145.78 5.04 0.0 0.0 0
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9880 94361 1 O11C12H22 A11B12C22 -501.96 3.39 -10.6 0.1 0
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9881 94379 2 OC6H8 AB6C8 -87.3 3.36 -9.31 0.42 0
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9882 94380 1 O4C15H32 A4B15C32 -246.78 4.3 -10.32 0.65 0
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9883 94406 1 NOC19H23 ABC19D23 0.52 3.22 -8.5 -0.39 0
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9884 94417 1 NO2H7C8 AB2C7D8 6.9 2.88 -9.53 -1.82 0
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9885 94447 2 SN4O4C24H29 AB4C4D24E29 -218.09 7.03 -8.67 -0.45 0
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9886 94456 1 NO7C19H19 AB7C19D19 -224.44 2.68 -8.96 -0.76 0
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9887 94484 1 N2O5H16C17 A2B5C16D17 -172.88 9.81 -9.36 -0.8 0
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9888 94490 1 O2N4C6H11 A2B4C6D11 -28.88 3.32 0.0 0.0 1
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9889 94493 1 PO5C29H51 AB5C29D51 -374.09 5.53 -8.57 0.18 0
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9890 94494 1 ClNOSH4C7 ABCDE4F7 -23.42 3.64 -9.32 -0.81 0
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9891 94502 1 ClOC10H19 ABC10D19 -99.69 3.97 -11.0 -0.22 0
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9892 94517 1 NO2C16H17 AB2C16D17 -68.86 8.04 -8.16 -0.5 0
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9893 94521 1 OC14H20 AB14C20 -24.53 2.46 -9.07 1.56 0
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9894 94522 1 OC14H20 AB14C20 -25.35 2.25 -9.12 1.56 0
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9895 94528 1 O5N8C24H30 A5B8C24D30 -135.04 5.42 -8.7 -1.06 0
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9896 94529 1 ClN2C7H9 AB2C7D9 1.93 0.89 -8.19 0.3 0
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9897 94530 1 ClNO2C15H22 ABC2D15E22 -65.64 10.38 -8.46 -0.81 0
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9898 94531 1 NO2C15H22 AB2C15D22 -41.53 2.35 0.0 0.0 1
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9899 94532 1 NOC12H19 ABC12D19 -35.67 0.84 -8.56 0.22 0
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9900 94536 1 Cl2N2C7H8 A2B2C7D8 -6.03 4.0 -8.31 -0.01 0
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9901 94568 1 O2C11H20 A2B11C20 -111.56 2.19 -10.05 0.26 0
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9902 94576 2 NOC3H6 ABC3D6 -47.94 2.71 -9.41 0.3 0
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9903 94577 1 NO4H11C18 AB4C11D18 -67.69 6.48 -8.66 -1.84 0
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9904 94579 2 OC6H10 AB6C10 -118.57 3.05 -9.7 1.0 0
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9905 94596 1 NCl3O3H6C8 AB3C3D6E8 -106.9 1.81 -9.4 -1.12 0
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9906 94605 1 NC17H19 AB17C19 50.09 2.59 -7.95 -0.16 0
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9907 94607 1 FCl2N2H11C13 AB2C2D11E13 -5.11 1.74 -9.05 -0.92 0
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9908 94609 3 OC2H4 AB2C4 -157.59 3.02 -10.56 0.58 0
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9909 94610 1 H3O4C9F13 A3B4C9D13 -789.44 1.94 -11.14 -1.56 0
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9910 94613 1 N2O2C27H32 A2B2C27D32 -40.61 3.05 -7.92 0.14 0
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9911 94615 1 O2C23H46 A2B23C46 -194.52 1.72 -10.51 0.88 0
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9912 94642 1 N2C22H23 A2B22C23 80.3 3.36 0.0 0.0 1
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9913 94663 1 OC11H26 AB11C26 -102.07 1.84 -9.7 2.4 0
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9914 94675 1 O3N6C10H10 A3B6C10D10 35.53 8.59 -9.91 -1.25 0
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9915 94712 1 NO2C8H9 AB2C8D9 -15.11 2.65 -8.75 -0.28 0
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9916 94713 1 NOC10H13 ABC10D13 -35.47 3.75 -9.62 0.05 0
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9917 94721 1 NO2H9C14 AB2C9D14 -9.23 3.25 -9.35 -1.86 0
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9918 94732 1 OSN4C5H10 ABC4D5E10 46.26 6.34 -8.5 -0.9 0
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9919 94754 1 OSH4N4C5 ABC4D4E5 52.82 9.31 -9.72 -1.8 0
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9920 94796 1 N3O3C4H7 A3B3C4D7 -103.7 2.27 -10.18 -0.99 0
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9921 94807 2 NSO3C6H6 ABC3D6E6 -218.97 2.2 -8.78 -0.71 0
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9922 94836 1 NSO2H5C7 ABC2D5E7 -22.36 5.13 -9.34 -1.05 0
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9923 94837 1 NOSC11H13 ABCD11E13 -11.89 4.49 -9.32 -0.66 0
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9924 94863 2 OC9H9 AB9C9 1.24 1.97 -9.6 0.15 0
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9925 94867 1 NO2C11H25 AB2C11D25 -128.53 3.09 -9.02 2.23 0
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9926 94893 1 NOC14H21 ABC14D21 -51.01 3.41 -9.24 -0.07 0
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9927 94897 1 NOC18H21 ABC18D21 -11.26 3.65 -9.33 0.04 0
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9928 94982 1 ISnH15C18 ABC15D18 81.6 3.03 -9.53 -0.99 0
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9929 94991 1 OSN3C10H15 ABC3D10E15 -27.74 1.03 -8.83 -0.9 0