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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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144858 53425206 1 Cl2N2O3C17H29 A2B2C3D17E29 -149.67 2.58 0.0 0.0 0
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144859 53425565 1 ClNOH8C10 ABCD8E10 3.09 5.87 -8.82 -1.09 0
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144860 53425608 1 IN2S2C27H29 AB2C2D27E29 77.9 7.52 -7.84 -0.92 0
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144861 53425609 1 IN2O2S2C30H35 AB2C2D2E30F35 3.43 21.6 -6.63 -1.48 1
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144862 53425610 1 N2O2S2C30H35 A2B2C2D30E35 -17.57 4.89 0.0 0.0 0
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144863 53425667 1 FCl4H5C12 AB4C5D12 -34.14 2.6 -9.84 -0.9 0
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144864 53425699 1 INOF3H5C7 ABCD3E5F7 -149.81 3.32 -9.62 -1.46 0
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144865 53425823 1 NSF3O3H6C7 ABC3D3E6F7 -243.59 4.77 -9.83 -1.48 1
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144866 53425824 1 N2O4C13H13 A2B4C13D13 -117.47 2.96 0.0 0.0 0
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144867 53426112 1 NC12H15 AB12C15 43.43 3.36 -9.86 -0.02 0
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144868 53426113 2 NOC9H10 ABC9D10 -37.03 3.78 -9.23 -0.27 0
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144869 53426141 2 ClNOC5H5 ABCD5E5 -57.95 6.45 -9.57 -0.94 0
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144870 53426600 2 N2O2C7H10 A2B2C7D10 -21.64 2.92 -10.08 -1.71 1
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144871 53426780 1 NOC14H20 ABC14D20 -7.62 3.04 0.0 0.0 0
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144873 53426782 1 NC14H20 AB14C20 29.01 1.86 0.0 0.0 0
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144874 53426993 1 O3C15H22 A3B15C22 -142.69 5.05 -9.71 -0.01 0
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144875 53426994 1 N2O2C9H10 A2B2C9D10 -48.18 6.58 -9.6 -1.53 0
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144876 53427232 1 SN2O2C7H12 AB2C2D7E12 -97.06 2.76 -9.17 0.17 0
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144877 53427233 1 N2F4C13H16 A2B4C13D16 -200.49 6.58 -8.88 -0.44 0
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144878 53427317 4 OC5H8 AB5C8 -156.63 5.45 -9.83 0.46 0
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144879 53427318 1 BrSiC9H17 ABC9D17 -11.05 3.24 -9.21 0.13 0
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144880 53427494 1 ClO2C11H11 AB2C11D11 -62.6 3.86 -9.73 -0.33 0
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144881 53427610 1 ClNO4C5H6 ABC4D5E6 -116.7 4.81 -10.6 -1.24 0
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144882 53427611 2 OC5H8 AB5C8 -73.93 4.24 -9.91 0.3 0
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144883 53427821 1 OF2C21H32 AB2C21D32 -190.51 3.03 -9.61 -0.26 0
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144884 53427908 1 NPSO5C6H16 ABCD5E6F16 -289.21 3.95 -8.78 0.58 0
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144885 53428218 1 S2O5N6H28C31 A2B5C6D28E31 3.14 5.83 -8.53 -1.7 0
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144887 53428620 1 NO2C21H35 AB2C21D35 -123.44 0.58 -10.51 -0.99 0
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144888 53428621 1 NO2C22H37 AB2C22D37 -117.56 1.7 -10.47 -0.92 0
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144889 53428957 2 C6H13 A6B13 -61.52 0.13 -10.31 4.0 0
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144890 53429197 1 BClO4H8C9 ABC4D8E9 -189.01 4.49 -8.91 -0.87 0
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144891 53429501 2 ClNOC5H5 ABCD5E5 -48.31 4.24 -9.74 -1.11 0
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144892 53429522 1 N2C7H16 A2B7C16 -17.04 0.6 -8.44 2.7 0
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144893 53429523 1 O4H6C11 A4B6C11 -88.93 5.67 -10.92 -3.05 0
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144894 53429524 1 ON2C11H14 AB2C11D14 28.64 2.98 -9.75 -1.0 0
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144895 53429525 1 O3F5H5C9 A3B5C5D9 -365.33 3.6 -10.76 -1.84 0
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144896 53429600 1 SN2O3C13H18 AB2C3D13E18 -87.68 5.82 -9.06 -1.01 0
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144897 53429601 1 Cl2N2C11H12 A2B2C11D12 -16.29 3.41 -9.29 -0.68 0
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144898 53429944 1 ClN2O2H11C13 AB2C2D11E13 -40.13 4.5 -9.7 -0.92 -2
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144899 53429961 1 NF3O6H8C12 AB3C6D8E12 -275.17 3.44 -10.88 -1.77 0
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144900 53429962 1 NF3O6H10C12 AB3C6D10E12 -308.98 1.55 -11.08 -1.87 -2
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144901 53429963 1 NSO8H11C12 ABC8D11E12 -239.82 5.83 -8.69 -1.36 0
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144902 53429964 1 NSO8C12H13 ABC8D12E13 -245.49 2.81 -10.86 -1.9 -2
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144903 53429965 2 NO3H4C6 AB3C4D6 -82.12 2.48 -10.64 -1.93 0
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144904 53429966 2 NO3H5C6 AB3C5D6 -126.46 5.51 -10.73 -2.11 -2
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144905 53429967 2 NO4H5C6 AB4C5D6 -128.37 4.11 -10.97 -1.99 0
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144906 53429968 2 NO4C6H6 AB4C6D6 -170.45 4.94 -10.93 -1.94 -2
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144907 53429969 1 ClNO5H10C12 ABC5D10E12 -117.93 5.29 -9.07 -0.73 -1
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144908 53430428 1 BrNO3H9C10 ABC3D9E10 -95.64 4.44 0.0 0.0 0
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144909 53430649 1 NF2O2H7C8 AB2C2D7E8 -158.23 8.06 -9.35 -0.91 2
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144910 53430805 2 CHNaOSN2 ABCDEF2 -89.93 9.14 -7.19 -0.03 1
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144911 53430971 3 NH4C6 AB4C6 131.14 2.33 0.0 0.0 0
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144912 53430972 1 SCl2N2C18H18 AB2C2D18E18 178.23 55.42 -5.03 -5.03 0
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144913 53431145 1 OC15H28 AB15C28 -74.5 1.7 -9.59 1.16 0
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144914 53431146 1 BN2C7H12 AB2C7D12 31.54 4.17 0.0 0.0 0
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144915 53431398 1 O4C15H28 A4B15C28 -243.45 1.18 -10.85 0.51 0
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144916 53431646 1 O2N4C5H12 A2B4C5D12 -0.5 3.89 -10.43 -0.78 -1
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144917 53431647 1 O2N4C12H17 A2B4C12D17 -23.26 2.44 0.0 0.0 0
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144918 53432067 1 NO6C27H29 AB6C27D29 -199.41 3.38 -8.99 0.07 0
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144919 53432259 1 O2N3C18H25 A2B3C18D25 -55.64 1.79 -8.79 -0.66 0
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144920 53432688 1 Br4O4C5H8 A4B4C5D8 -165.44 3.08 -10.05 -2.22 0
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144921 53432900 1 ClSO2N3H16C21 ABC2D3E16F21 53.86 4.98 -8.82 -0.85 0
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144922 53433149 1 HNC2O2Cl4 ABC2D2E4 -52.36 3.49 -10.84 -2.5 0
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144923 53433188 2 NO2C7H13 AB2C7D13 -197.11 3.62 -9.62 0.25 0
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144924 53433356 1 ON2C22H28 AB2C22D28 -13.0 6.83 -8.31 0.12 0
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144925 53433397 1 NO2C19H21 AB2C19D21 -38.08 4.44 -8.76 0.14 0
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144926 53433416 1 SO2N3C15H15 AB2C3D15E15 -18.86 4.75 -9.33 -1.44 0
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144927 53433417 2 NOSC8H9 ABCD8E9 -35.98 3.47 -8.9 -1.5 0
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144928 53433418 1 N2O2C19H24 A2B2C19D24 -24.79 5.1 -9.24 -0.1 0
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144929 53433419 1 ClNO2C18H18 ABC2D18E18 -51.73 2.25 -9.22 -0.64 0
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144930 53433420 1 ClNO2C19H20 ABC2D19E20 -47.57 3.94 -8.82 -0.48 0
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144931 53433421 1 ClNOC19H20 ABCD19E20 -18.65 2.98 -9.26 -0.4 0
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144932 53433422 1 NOF4H17C19 ABC4D17E19 -206.62 2.53 -9.46 -1.17 0
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144933 53433654 1 BFO3C11H14 ABC3D11E14 -235.25 5.82 -8.76 -0.15 0
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144934 53433655 1 BO3C23H25 AB3C23D25 -149.09 4.79 -8.4 -0.25 0
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144935 53434353 1 ClFO2H14C15 ABC2D14E15 -97.69 2.52 -9.13 -0.52 0
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144936 53434354 1 ClFO2H12C15 ABC2D12E15 -79.62 3.72 -9.29 -0.62 0
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144937 53434412 1 NOC12H15 ABC12D15 -7.45 4.31 -9.44 0.09 0
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144938 53434413 1 FNOC12H18 ABCD12E18 -83.75 2.27 -8.62 0.27 0
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144939 53434414 1 FO2C12H17 AB2C12D17 -132.79 2.96 -8.77 0.13 0
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144940 53434536 1 BrF4H9C10 AB4C9D10 -201.59 4.35 -10.41 -0.93 0
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144941 53434850 1 ClO4C12H13 AB4C12D13 -131.28 5.78 -8.75 -0.72 0
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144943 53435186 2 NOH4C5 ABC4D5 20.61 2.76 -9.85 -1.25 0
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144944 53435187 1 BN2O3C9H9 AB2C3D9E9 -106.66 3.18 -9.66 -0.84 -1
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144945 53435516 1 O3C8H13 A3B8C13 -95.68 3.45 0.0 0.0 0
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144946 53435742 1 NO2C26H31 AB2C26D31 -57.27 5.85 -8.64 -1.19 0
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144947 53436329 1 O3C14H16 A3B14C16 -115.34 6.76 -10.2 -0.86 0
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144948 53436330 1 ClO2H9C10 AB2C9D10 -42.4 4.21 -9.3 -0.71 -1
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144949 53436331 1 O3C8H15 A3B8C15 -95.87 1.74 0.0 0.0 0
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144950 53436533 2 O5C7H13 A5B7C13 -41.24 4.37 -9.4 -1.45 0
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144951 53436714 1 SN3O4C13H17 AB3C4D13E17 -95.45 1.51 -8.95 -1.4 1
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144952 53436775 1 NO5C16H18 AB5C16D18 -149.48 5.95 0.0 0.0 0
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144953 53436886 1 BrO2C15H27 AB2C15D27 -123.08 4.2 -10.1 -0.56 0
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144954 53437099 1 SiO2C3H7 AB2C3D7 -124.13 0.47 0.0 0.0 1
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144955 53437607 1 N3C18H22 A3B18C22 87.16 11.71 0.0 0.0 0
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144956 53439011 1 NO5C14H15 AB5C14D15 -115.53 4.66 -8.7 -0.89 0
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144957 53439012 1 ON2S2C5H6 AB2C2D5E6 -8.06 6.04 -8.62 -1.09 0
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144958 53439202 2 OC8H15 AB8C15 -144.67 1.76 -9.53 0.59 0
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144959 53439203 2 HPF10C12 ABC10D12 -750.29 2.68 -9.47 -1.86 1
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144960 53439296 1 ClN2C12H20 AB2C12D20 36.6 2.13 0.0 0.0 0