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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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436913 135212902 1 SO3N4C29H42 AB3C4D29E42 -82.37 3.99 -8.92 0.1 0
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436914 135212910 1 SO3N4C28H40 AB3C4D28E40 -71.52 3.01 -8.89 0.31 0
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436915 135212913 1 SN2O3C30H38 AB2C3D30E38 -55.65 7.0 -8.99 -0.6 0
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436916 135212919 1 SO3N4C28H40 AB3C4D28E40 -79.58 2.01 -8.91 0.08 0
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436917 135212923 1 FSN2O3C30H35 ABC2D3E30F35 -119.37 6.69 -9.06 -0.6 0
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436918 135212930 1 SO2N3C23H25 AB2C3D23E25 9.78 8.63 -8.9 -0.01 0
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436919 135212943 1 NOC26H31 ABC26D31 -11.84 4.11 -9.19 0.22 0
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436920 135212945 1 SN2O4C30H36 AB2C4D30E36 -88.9 6.95 -8.61 -0.52 0
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436921 135212946 2 O2H15C16 A2B15C16 -63.71 3.17 -9.04 -0.56 0
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436922 135212953 1 FSO3N4C28H39 ABC3D4E28F39 -137.85 3.39 -9.0 0.16 0
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436923 135212956 1 SO3N4C28H40 AB3C4D28E40 -74.02 4.05 -8.79 0.22 0
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436924 135212966 1 FSN2O3C23H27 ABC2D3E23F27 -90.48 1.99 -8.85 -0.29 0
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436925 135213002 1 SN3O4C36H53 AB3C4D36E53 -128.89 2.39 -8.74 0.22 0
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436926 135213006 1 SF3N3O3C30H34 AB3C3D3E30F34 -222.9 2.08 -9.11 -1.59 0
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436927 135213010 1 SN2O3C28H32 AB2C3D28E32 -56.54 5.71 -8.83 -0.55 0
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436928 135213050 1 N4C27H36 A4B27C36 70.85 2.17 -7.51 0.34 0
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436929 135213053 1 N2C27H32 A2B27C32 99.95 3.52 -8.43 -0.12 0
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436930 135213056 1 IN2C5H9 AB2C5D9 21.45 1.98 -8.86 -1.66 0
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436931 135213057 1 FSC12H17 ABC12D17 -15.54 3.87 -7.04 0.56 0
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436932 135213084 1 SN2O3F6C30H30 AB2C3D6E30F30 -373.86 6.64 -9.15 -1.19 0
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436933 135213089 1 SN2O3C29H34 AB2C3D29E34 -62.39 4.16 -9.03 -0.46 0
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436934 135213099 1 FSN3O3C28H32 ABC3D3E28F32 -97.62 7.81 -9.13 -0.62 0
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436935 135213106 2 NC5H11 AB5C11 -27.06 1.1 -8.3 1.33 0
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436936 135213111 1 SN3O4C35H51 AB3C4D35E51 -132.94 3.84 -8.75 0.2 0
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436937 135213124 1 SN2O3C24H34 AB2C3D24E34 -93.15 2.14 -8.42 -0.13 0
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436938 135213152 1 ClNC12H16 ABC12D16 0.33 2.29 -8.66 0.12 0
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436939 135213170 1 ClC11H13 AB11C13 -13.98 3.08 -9.03 0.21 0
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436940 135213184 1 ClN2C10H13 AB2C10D13 18.23 3.5 -9.12 -0.03 0
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436941 135213186 1 INC13H26 ABC13D26 -11.11 2.25 -8.62 -0.42 0
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436942 135213195 1 ON4C18H38 AB4C18D38 -87.15 3.32 -8.52 1.82 0
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436943 135213197 1 ION3H26C27 ABC3D26E27 184.25 4.95 -8.2 -1.06 0
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436944 135213198 1 ON4C25H38 AB4C25D38 -24.18 6.2 -8.66 -0.51 0
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436945 135213201 1 ON2C31H52 AB2C31D52 175.93 4.71 -8.31 0.5 0
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436946 135213204 1 ION4C23H25 ABC4D23E25 147.08 4.42 -8.61 -0.93 0
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436948 135213217 1 OSN2C25H36 ABC2D25E36 -46.19 7.17 -8.51 -0.59 0
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436949 135213231 1 FO5N6C16H23 AB5C6D16E23 -188.54 4.44 -9.49 -0.51 0
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436950 135213232 1 FN3O5C19H30 AB3C5D19E30 -277.79 7.16 -9.35 -0.46 0
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436951 135213236 2 ClC6H8 AB6C8 -11.1 3.06 -9.13 -0.31 0
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436952 135213241 2 NC9H9 AB9C9 103.41 3.2 -8.46 -0.1 0
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436953 135213242 1 FP3N6C11O13H18 AB3C6D11E13F18 -742.46 7.85 -9.68 -0.79 0
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436954 135213251 1 O3C19H40 A3B19C40 -222.73 3.57 -9.41 2.19 0
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436955 135213273 1 ClC4N4H9 AB4C4D9 39.35 3.18 -8.87 -0.03 0
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436956 135213275 1 NO2C12H15 AB2C12D15 -49.46 3.17 -9.91 -1.18 0
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436957 135213278 1 SN2C13H26 AB2C13D26 -2.31 4.28 -8.53 0.64 0
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436958 135213283 1 BrN2O3H15C21 AB2C3D15E21 -8.18 4.75 -8.98 -0.92 0
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436959 135213286 1 N4C21H38 A4B21C38 21.27 2.71 -8.55 2.55 0
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436960 135213348 1 SN9O10C45H77 AB9C10D45E77 -513.49 8.85 -8.62 -0.6 0
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436961 135213349 1 ClPO5N7C46H53 ABC5D7E46F53 -63.86 4.06 -8.29 -0.84 0
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436962 135213350 1 ClNO2C19H20 ABC2D19E20 -62.66 3.97 -8.52 -0.18 0
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436963 135213360 1 IN2C8H17 AB2C8D17 -9.05 5.16 -8.74 -0.47 0
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436964 135213363 1 N7C31H61 A7B31C61 -12.63 3.75 -8.2 2.43 0
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436966 135213371 1 ClSO4N6C45H49 ABC4D6E45F49 8.07 3.5 -8.43 -0.95 0
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436967 135213377 1 O4N5C17H25 A4B5C17D25 -152.64 5.96 -8.69 -0.34 0
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436968 135213388 1 NC14H25 AB14C25 -15.59 1.73 -8.39 0.99 0
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436969 135213397 1 O2N7C28H35 A2B7C28D35 35.42 4.05 -8.34 -0.45 0
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436970 135213399 1 FO2N4C21H23 AB2C4D21E23 -78.05 7.53 -8.22 -0.01 0
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436971 135213414 1 SN6O6C41H66 AB6C6D41E66 -276.07 5.57 -8.41 -0.93 0
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436972 135213415 1 SN6O6C41H66 AB6C6D41E66 -281.26 4.99 -9.09 -0.23 0
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436973 135213416 1 N2S3C8H12 A2B3C8D12 25.02 3.13 -8.93 -1.08 0
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436974 135213417 1 O5C24H44 A5B24C44 -261.83 2.26 -9.61 0.66 0
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436975 135213418 2 N2O2C9H11 A2B2C9D11 -113.12 2.68 -9.7 -0.76 0
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436976 135213423 1 O2N5C20H23 A2B5C20D23 -34.22 4.2 -8.48 -0.42 0
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436977 135213437 1 O2N5C21H25 A2B5C21D25 -12.9 5.05 -8.49 -0.42 0
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436978 135213450 1 PO6C12H21 AB6C12D21 -295.36 4.64 -9.82 0.52 0
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436979 135213456 1 N2O2F3C16H17 A2B2C3D16E17 -183.19 3.78 -9.62 -0.92 0
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436980 135213462 1 O3N4C33H38 A3B4C33D38 -53.49 3.69 -8.11 -0.24 0
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436981 135213481 1 N2O8C33H40 A2B8C33D40 -273.42 2.54 -7.84 -0.6 0
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436982 135213488 2 NOC7H13 ABC7D13 -126.1 3.06 -8.72 0.94 0
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436983 135213491 1 FN3C24H30 AB3C24D30 -5.78 1.93 -8.82 -0.04 0
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436984 135213510 1 N2O3C18H26 A2B3C18D26 -136.31 6.54 -8.45 -0.33 0
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436985 135213519 1 Cl2N2S2O4C9H12 A2B2C2D4E9F12 -146.95 2.17 -10.21 -1.55 0
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436986 135213522 1 ON2C16H26 AB2C16D26 -44.06 3.17 -8.64 0.28 0
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436987 135213540 1 SO2N3C16H17 AB2C3D16E17 19.68 9.29 -8.67 -0.69 0
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436988 135213543 1 IN2O2C5H9 AB2C2D5E9 -65.35 2.42 -9.39 -3.0 0
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436990 135213567 1 S2N7O10C57H91 A2B7C10D57E91 -426.43 5.82 -8.48 -1.34 0
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436991 135213568 1 ClS2N8O14C71H101 AB2C8D14E71F101 -568.41 7.28 -7.91 -1.66 0
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436993 135213572 1 N2S2O3C14H20 A2B2C3D14E20 -90.94 7.29 -9.03 -1.08 0
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436995 135213574 1 Cl2N3O4H17C22 A2B3C4D17E22 -84.94 6.69 -8.52 -1.25 0
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436996 135213597 1 NO3C12H15 AB3C12D15 -123.77 2.63 -9.6 -0.67 0
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436997 135213602 1 ClO2N5C25H32 AB2C5D25E32 -53.16 3.22 -8.08 -0.57 0
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436998 135213618 1 S2O6N7C16H21 A2B6C7D16E21 -102.81 9.91 -8.43 -1.16 0
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436999 135213627 1 O2N3C25H31 A2B3C25D31 -29.11 4.02 -8.53 -0.49 0
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437000 135213657 1 N2O4H14C15 A2B4C14D15 -115.78 5.37 -9.54 -1.52 0
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437001 135213662 1 SN6O7C17H20 AB6C7D17E20 -142.71 11.15 -8.96 -1.2 0
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437002 135213672 1 O2N5C22H29 A2B5C22D29 -14.33 6.92 -9.01 -0.66 0
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437003 135213677 1 ClN3O3C23H28 AB3C3D23E28 -90.0 3.7 -8.62 -0.26 0
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437004 135213678 1 N2O3C18H24 A2B3C18D24 -112.01 4.44 -8.72 -0.89 0
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437005 135213686 1 N3O3C14H21 A3B3C14D21 -111.71 9.16 -8.41 -0.88 0
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437007 135213692 1 S2N7O25C82H133 A2B7C25D82E133 -1081.95 10.09 -8.62 -1.59 0
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437008 135213708 1 O4N6C33H40 A4B6C33D40 -82.63 5.89 -9.16 -0.52 0
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437009 135213712 2 O4H8C11 A4B8C11 -261.03 7.15 -9.9 -2.23 0
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437010 135213718 1 O3C18H28 A3B18C28 -126.94 2.05 -10.01 0.48 1
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437011 135213723 1 SO7N9C17H24 AB7C9D17E24 -128.97 10.0 0.0 0.0 0
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437012 135213725 1 N7O7C22H33 A7B7C22D33 -212.86 2.55 -9.21 -0.32 0
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437013 135213726 1 SO6N7C14H23 AB6C7D14E23 -149.5 11.56 -8.91 -1.42 0
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437014 135213728 1 SN6O6C18H20 AB6C6D18E20 -97.05 8.56 -9.12 -1.27 0
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437015 135213729 1 SN3O4C17H27 AB3C4D17E27 -131.91 7.3 -8.39 -0.62 0
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437016 135213730 1 O7N12C65H104 A7B12C65D104 -360.04 6.34 -8.95 0.32 0
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437017 135213732 1 SN6O6C18H20 AB6C6D18E20 -95.85 8.25 -9.36 -1.25 0
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437018 135213737 1 NO2C11H19 AB2C11D19 -100.61 5.09 -9.59 -0.02 1