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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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52721 12015774 1 N5O6C43H55 A5B6C43D55 -227.81 4.27 -8.38 0.03 0
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52722 12015776 4 NOC7H8 ABC7D8 -104.08 10.11 -8.9 -1.64 0
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52723 12015777 1 N2O13C38H60 A2B13C38D60 -534.81 5.04 -8.84 -1.57 0
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52724 12015778 2 NO6C22H36 AB6C22D36 -544.55 9.62 -9.18 0.28 0
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52725 12015784 1 SN2O7C25H32 AB2C7D25E32 -269.82 5.79 -9.39 -0.67 0
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52726 12015788 1 SO3C9F9H11 AB3C9D9E11 -602.45 5.44 -11.22 -0.09 0
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52727 12015789 1 IC8H8F9 AB8C8D9 -461.95 3.44 -9.89 -0.94 0
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52728 12015793 1 O2F9C18H25 A2B9C18D25 -579.6 2.75 -10.1 -0.09 0
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52729 12015795 1 SO4F9C32H37 AB4C9D32E37 -648.14 2.97 -8.48 -0.11 0
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52730 12015797 2 NC7H11 AB7C11 5.52 3.88 -9.18 -0.02 0
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52731 12015798 2 NC8H10 AB8C10 39.47 3.66 -8.94 0.09 0
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52732 12015800 1 ClH4N5C8 AB4C5D8 125.23 5.81 -10.41 -2.05 0
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52733 12015808 1 PN5H30C32 AB5C30D32 115.24 0.78 -7.71 -0.19 0
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52734 12015810 1 N5C14H21 A5B14C21 21.03 5.73 -8.09 0.07 0
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52735 12015811 1 N5C13H19 A5B13C19 28.53 4.34 -7.69 0.33 0
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52736 12015812 1 N5C17H27 A5B17C27 4.23 4.38 -7.6 0.41 0
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52737 12015814 1 N5C17H23 A5B17C23 38.81 7.06 -8.44 -0.59 0
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52738 12015815 1 NOSSiC9H19 ABCDE9F19 -54.6 5.94 -8.78 0.07 0
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52739 12015816 1 NC9H19 AB9C19 -39.33 1.73 -9.25 3.4 0
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52740 12015818 1 O2N3H25C26 A2B3C25D26 -18.01 2.69 -8.35 -0.67 0
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52741 12015820 1 N3O3H19C23 A3B3C19D23 -35.55 2.52 -8.33 -0.71 0
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52742 12015821 1 O2N3C26H27 A2B3C26D27 -34.85 3.93 -8.3 -0.66 0
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52743 12015824 1 ClO2N4H23C25 AB2C4D23E25 1.09 3.4 -8.68 -0.8 0
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52744 12015827 1 N4O4H26C27 A4B4C26D27 -76.63 5.21 -9.06 -0.95 0
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52745 12015828 1 O2N3C26H27 A2B3C26D27 -28.92 7.74 -8.52 -0.47 0
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52746 12015830 1 O2N5H23C24 A2B5C23D24 34.89 6.12 -8.86 -1.42 0
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52747 12015831 1 O2N4H24C25 A2B4C24D25 -7.54 2.93 -8.71 -0.79 0
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52748 12015835 1 BrNOC12H14 ABCD12E14 -17.55 3.35 -8.55 -0.2 0
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52749 12015837 2 OC7H8 AB7C8 -64.47 6.78 -9.29 -0.88 0
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52750 12015838 1 O13N15C59H85 A13B15C59D85 -582.22 5.04 -8.35 -0.04 0
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52752 12015847 1 N3O5C30H35 A3B5C30D35 -146.32 4.54 -9.51 -0.95 0
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52753 12015848 1 N3O5C30H35 A3B5C30D35 -156.02 5.95 -9.44 -0.74 0
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52754 12015849 1 N2O4C25H26 A2B4C25D26 -78.33 5.31 -9.49 -0.71 0
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52755 12015852 1 O3C28H46 A3B28C46 -189.06 4.56 -9.04 0.37 0
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52756 12015865 1 NOC15H21 ABC15D21 12.12 1.67 -9.17 0.18 0
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52757 12015867 1 NO3C15H19 AB3C15D19 -107.49 3.22 -8.95 -0.07 0
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52758 12015868 1 NO3C16H21 AB3C16D21 -120.2 2.83 -9.04 0.08 0
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52759 12015874 2 OC9H14 AB9C14 -118.79 3.13 -9.72 1.26 0
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52760 12015875 2 OC8H13 AB8C13 -108.31 3.31 -8.57 1.16 0
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52761 12015880 3 OC5H6 AB5C6 -102.55 1.74 -9.49 -0.05 0
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52762 12015887 1 IO4C26H43 AB4C26D43 -231.36 2.86 -9.98 -1.13 0
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52763 12015893 1 SO3C25H38 AB3C25D38 -85.71 3.1 -8.34 -0.34 0
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52764 12015894 1 SN2O2C27H44 AB2C2D27E44 -99.01 1.56 -8.54 0.66 0
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52765 12015896 1 BrNSO5C15H22 ABCD5E15F22 -220.8 2.68 -9.5 -0.42 0
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52766 12015902 2 OC8H10 AB8C10 -84.23 2.75 -9.22 0.29 0
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52767 12015909 1 OC16H28 AB16C28 -58.89 0.94 -8.97 1.67 0
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52768 12015915 1 O5C22H30 A5B22C30 -213.38 6.1 -10.25 -0.46 0
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52769 12015919 1 SC8O8H16 AB8C8D16 -359.69 4.41 -9.96 -0.47 0
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52770 12015923 1 NO10C17H25 AB10C17D25 -462.37 3.63 -9.79 0.39 0
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52771 12015927 1 ClO8H31C32 AB8C31D32 -237.25 2.57 -8.24 -0.89 0
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52772 12015928 1 O5C32H52 A5B32C52 -292.11 4.67 -9.14 0.91 0
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52773 12015931 1 NOC22H37 ABC22D37 -98.15 3.87 -8.86 0.86 0
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52774 12015932 1 NO4C13H19 AB4C13D19 -144.7 1.96 -9.75 -0.7 0
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52775 12015937 1 NPO5C7H12 ABC5D7E12 -260.47 5.84 -10.24 -0.06 1
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52776 12015939 1 PN2O4C8H14 AB2C4D8E14 -149.81 6.7 0.0 0.0 0
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52777 12015941 1 NPO5C7H12 ABC5D7E12 -257.12 3.63 -10.42 0.49 0
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52779 12015946 1 O9C61H94 A9B61C94 -310.16 1.77 -7.9 -0.47 0
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52780 12015947 1 O9C61H90 A9B61C90 -314.52 8.65 -8.89 -0.25 0
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52781 12015949 1 SiO5C38H52 AB5C38D52 -125.09 3.46 -9.14 -0.02 0
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52782 12015950 1 SiO5C39H52 AB5C39D52 -234.78 5.18 -8.84 0.15 0
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52783 12015954 1 NSO5C27H37 ABC5D27E37 -164.91 2.01 -8.9 -0.29 0
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52784 12015955 1 SiN2O2C28H42 AB2C2D28E42 -131.91 2.41 -8.27 0.08 0
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52785 12015958 1 SN2O3C17H28 AB2C3D17E28 -135.69 5.26 -9.5 -0.13 0
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52786 12015959 1 PN3O9C25H44 AB3C9D25E44 -482.29 6.85 -9.92 0.22 0
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52787 12015960 1 N4O8C35H52 A4B8C35D52 -382.94 7.79 -8.7 0.1 0
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52788 12015962 1 N4O6C25H36 A4B6C25D36 -278.8 5.82 -9.14 -0.18 0
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52789 12015964 1 NO11C25H33 AB11C25D33 -436.26 4.54 -8.27 -0.31 0
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52790 14708964 1 SN2O6C22H22 AB2C6D22E22 -136.95 10.11 -8.81 -1.28 0
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52791 14708965 1 SN2O6C23H24 AB2C6D23E24 -142.33 9.1 -8.61 -1.03 0
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52792 14708966 1 SN2O6H20C21 AB2C6D20E21 -125.11 4.93 -8.69 -1.1 0
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52793 14708967 1 SN2O6C22H22 AB2C6D22E22 -133.1 6.6 -8.55 -1.05 0
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52794 14708968 1 SN2O6C23H24 AB2C6D23E24 -142.34 5.41 -8.5 -1.12 0
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52795 14708970 1 NSO3C17H17 ABC3D17E17 -90.46 3.79 -8.49 -0.94 0
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52796 14708974 1 NSO3H21C23 ABC3D21E23 -61.49 3.8 -8.32 -0.96 0
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52797 14708975 1 ClNSO3H16C21 ABCD3E16F21 -52.8 4.51 -8.62 -1.18 0
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52798 14708978 1 BrNSO3H16C21 ABCD3E16F21 -40.61 4.65 -8.63 -1.19 0
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52799 14708979 1 BrNSO3H18C22 ABCD3E18F22 -50.75 8.57 -8.55 -1.07 0
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52800 14708981 1 SN2O4H16C20 AB2C4D16E20 -17.56 7.15 -8.64 -1.47 0
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52801 14708982 1 SN2O4H18C21 AB2C4D18E21 -28.41 8.4 -8.56 -1.43 0
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52802 14708983 1 SN2O4H20C22 AB2C4D20E22 -36.73 8.48 -8.44 -1.4 0
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52803 14708984 1 SN2O3H14C15 AB2C3D14E15 -78.07 4.06 -8.1 -1.07 0
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52804 14708985 1 SN2O3C16H16 AB2C3D16E16 -89.22 5.1 -8.03 -0.95 0
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52805 14708986 1 SN2O3C17H18 AB2C3D17E18 -95.82 5.11 -7.99 -0.92 0
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52806 14708987 1 SN2O3H16C20 AB2C3D16E20 -37.66 7.57 -8.09 -1.05 0
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52807 14708988 1 SN2O3H18C21 AB2C3D18E21 -48.67 8.68 -8.0 -0.92 0
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52808 14708989 1 SN2O3H20C22 AB2C3D20E22 -54.97 8.37 -8.0 -0.92 0
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52809 14708991 1 ClSN2O3H17C21 ABC2D3E17F21 -59.0 8.22 -8.11 -0.99 0
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52810 14708992 1 ClSN2O3H19C22 ABC2D3E19F22 -65.22 7.96 -8.11 -1.01 0
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52811 14708993 1 BrSN2O3H15C20 ABC2D3E15F20 -39.45 6.25 -8.24 -1.17 0
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52812 14708994 1 BrSN2O3H17C21 ABC2D3E17F21 -50.76 7.45 -8.16 -1.04 0
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52813 14708995 1 BrSN2O3H19C22 ABC2D3E19F22 -53.13 8.03 -8.12 -1.02 0
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52814 14708996 1 SN3O4H15C19 AB3C4D15E19 -11.97 9.3 -8.33 -1.34 0
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52815 14709002 1 NSO4H13C15 ABC4D13E15 -118.96 4.38 -8.49 -1.14 0
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52816 14709003 1 NSO4H15C16 ABC4D15E16 -129.87 5.49 -8.44 -1.05 0
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52817 14709004 1 NSO4H15C20 ABC4D15E20 -83.93 0.89 -8.48 -1.03 0
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52818 14709005 1 NSO4H17C21 ABC4D17E21 -95.34 0.39 -8.43 -1.05 0
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52819 14709007 1 ClNSO4H16C21 ABCD4E16F21 -104.81 2.36 -8.54 -1.13 0
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52820 14709008 1 BrNSO4H14C20 ABCD4E14F20 -81.48 1.28 -8.6 -1.14 0
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52821 14709010 1 SN2O5H14C19 AB2C5D14E19 -55.23 6.17 -9.25 -1.52 0
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52822 14709016 1 NSO4H19C22 ABC4D19E22 -83.79 6.35 -8.38 -0.93 0