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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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322959 126671647 1 ClN10O11C58H71 AB10C11D58E71 -342.26 9.31 -8.07 -0.89 0
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322960 126671648 1 OF3N3C25H32 AB3C3D25E32 -160.14 4.51 -8.38 -0.47 0
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322961 126671649 1 ClN10O10C58H71 AB10C10D58E71 -297.88 12.82 -8.03 -0.86 0
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322962 126671650 1 ClN9O10C54H62 AB9C10D54E62 -278.74 6.04 -8.3 -1.38 0
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322963 126671651 1 ClO7N10C58H63 AB7C10D58E63 -138.82 6.35 -8.4 -0.89 0
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322964 126671653 1 ClS2O7N10C54H59 AB2C7D10E54F59 -155.77 11.58 -9.05 -1.41 0
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322965 126671654 1 ClS2O7N9C56H58 AB2C7D9E56F58 -123.34 12.76 -8.94 -1.63 0
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322966 126671655 1 ClS2O6N9C52H58 AB2C6D9E52F58 -55.13 6.98 -7.16 -0.69 0
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322967 126671657 1 ClS2O7N9C56H58 AB2C7D9E56F58 -126.86 4.91 -8.73 -1.2 0
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322968 126671658 1 ClS3O8N9C48H58 AB3C8D9E48F58 -238.45 17.47 -9.04 -1.78 0
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322969 126671659 1 O2N4C37H56 A2B4C37D56 -72.45 4.8 -8.5 -0.42 0
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322970 126671660 1 N4O4C35H52 A4B4C35D52 -134.92 2.0 -8.77 -0.46 0
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322971 126671661 2 ON2C16H27 AB2C16D27 -120.68 2.4 -8.8 0.16 0
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322972 126671663 1 O2N3C31H51 A2B3C31D51 -110.3 3.99 -8.66 0.1 0
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322973 126671665 1 ClS2O5N11C51H64 AB2C5D11E51F64 -107.82 12.86 -8.66 -1.59 0
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322974 126671666 1 ClS2O5N11C50H62 AB2C5D11E50F62 -88.25 4.8 -8.39 -0.91 0
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322975 126671667 1 ClS2O8N10C58H71 AB2C8D10E58F71 -221.18 14.14 -8.7 -1.42 0
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322976 126671668 1 ClS2O8N10C58H71 AB2C8D10E58F71 -184.06 8.67 -8.44 -1.51 0
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322977 126671669 1 SN7O9C54H61 AB7C9D54E61 -237.3 5.44 -8.29 -0.83 0
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322978 126671670 1 SO3N4C23H26 AB3C4D23E26 -44.64 11.13 -9.22 -1.43 0
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322979 126671671 1 ClS2O6N9C48H54 AB2C6D9E48F54 -82.87 9.72 -9.1 -1.44 0
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322980 126671672 1 SN2O6C23H32 AB2C6D23E32 -212.01 3.06 -8.39 -0.54 0
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322981 126671673 1 ClS2O7N9C53H60 AB2C7D9E53F60 -180.03 5.16 -8.77 -1.49 0
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322982 126671676 1 N2O5C19H30 A2B5C19D30 -208.29 2.57 -8.96 0.07 1
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322983 126671677 1 NOC18H30 ABC18D30 -25.22 12.23 0.0 0.0 1
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322984 126671678 1 NOC16H24 ABC16D24 -6.24 12.16 0.0 0.0 1
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322985 126671679 1 NOC18H30 ABC18D30 -24.68 11.19 0.0 0.0 1
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322986 126671680 1 NOC16H26 ABC16D26 -15.22 12.15 0.0 0.0 0
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322987 126671681 1 NO2C12H25 AB2C12D25 -150.13 2.36 -9.35 1.02 0
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322988 126671682 1 NO2C14H29 AB2C14D29 -164.34 2.03 -9.7 1.06 0
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322989 126671683 1 NOPH20C22 ABCD20E22 46.85 6.31 -7.76 -0.31 0
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322990 126671684 1 ClS2O7N10C51H57 AB2C7D10E51F57 -146.07 13.49 -8.94 -1.45 0
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322991 126671685 1 SN6O6C27H38 AB6C6D27E38 -216.81 8.57 -8.96 -1.14 0
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322992 126671686 1 ClS2O8N9C55H64 AB2C8D9E55F64 -211.8 17.84 -8.08 -1.63 0
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322993 126671688 1 ClS2O7N10C52H59 AB2C7D10E52F59 -137.29 11.56 -8.76 -1.54 0
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322994 126671692 1 ClN7O10C59H68 AB7C10D59E68 -271.36 8.63 -8.56 -1.07 0
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322995 126671693 1 S2O8N9C53H61 A2B8C9D53E61 -199.33 11.03 -8.49 -1.29 0
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322996 126671694 1 ClS2O6N9C57H64 AB2C6D9E57F64 -77.24 13.47 -9.2 -1.56 0
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322997 126671695 1 SN7O9C57H67 AB7C9D57E67 -252.14 7.56 -8.28 -0.88 0
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322998 126671698 1 ClS2O6N9C53H60 AB2C6D9E53F60 -141.65 12.77 -9.13 -1.55 0
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322999 126671699 1 S2O8N9C54H63 A2B8C9D54E63 -212.48 13.71 -8.47 -1.12 0
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323000 126671700 1 ClS2O6N10C61H73 AB2C6D10E61F73 -130.38 15.18 -8.34 -1.52 0
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323001 126671701 1 S2O8N9C57H69 A2B8C9D57E69 -211.86 17.52 -7.69 -1.29 0
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323002 126671702 1 S2O8N9C57H69 A2B8C9D57E69 -213.02 8.98 -8.21 -1.37 0
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323003 126671703 1 ClFS2O6N9C54H61 ABC2D6E9F54G61 -189.74 15.4 -8.87 -1.6 0
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323004 126671705 1 ClS2O7N9C55H60 AB2C7D9E55F60 -160.92 14.24 -9.05 -1.6 0
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323005 126671706 1 ClS2O6N11C53H60 AB2C6D11E53F60 -65.24 20.13 -8.05 -1.72 0
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323006 126671708 1 ClS2O7N9C51H56 AB2C7D9E51F56 -154.47 9.56 -8.91 -1.59 0
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323007 126671709 1 ClS2O7N9C51H56 AB2C7D9E51F56 -158.57 14.56 -8.52 -1.61 0
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323008 126671710 1 ClS2O6N11C53H60 AB2C6D11E53F60 -95.31 10.64 -8.66 -1.52 0
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323009 126671711 1 ClS2O6N11C56H62 AB2C6D11E56F62 -85.61 6.3 -8.8 -1.44 0
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323010 126671712 1 ClS3O6N9C48H58 AB3C6D9E48F58 -122.3 6.85 -8.7 -1.48 0
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323011 126671713 1 ClS3O6N9C48H58 AB3C6D9E48F58 -111.08 1.31 -8.48 -1.48 0
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323012 126671714 1 ClS2O4N11C53H56 AB2C4D11E53F56 31.06 3.78 -8.32 -1.42 0
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323013 126671715 1 ClS2O8N9C49H60 AB2C8D9E49F60 -230.03 3.78 -9.11 -1.38 0
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323014 126671716 1 ClS2O7N9C52H58 AB2C7D9E52F58 -153.5 9.36 -8.7 -1.51 0
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323015 126671718 1 ClS2O7N9C52H58 AB2C7D9E52F58 -141.47 6.78 -8.9 -1.35 0
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323016 126671719 1 ClS2O5N11C53H56 AB2C5D11E53F56 -11.81 12.44 -8.87 -1.42 0
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323017 126671720 1 ClFS2O6N9C53H59 ABC2D6E9F53G59 -178.79 12.13 -8.93 -1.39 0
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323018 126671721 1 ClS2O7N8C50H61 AB2C7D8E50F61 -202.6 14.38 -9.01 -1.63 0
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323019 126671735 1 SN4O4C29H36 AB4C4D29E36 -85.72 5.12 -9.34 -0.88 0
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323020 126671798 1 ClS2O5N12C52H55 AB2C5D12E52F55 2.89 15.65 -9.09 -1.64 0
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323021 126671799 1 ClS2O5N11C53H56 AB2C5D11E53F56 142.83 8.25 -8.46 -1.25 0
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323022 126671800 1 ClSO6N10C54H61 ABC6D10E54F61 -124.05 6.23 -8.93 -1.51 0
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323023 126671808 1 ClS2O7N9C56H62 AB2C7D9E56F62 -115.61 11.95 -9.1 -1.42 0
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323024 126671809 1 ClS2O6N10C51H61 AB2C6D10E51F61 -163.08 8.67 -9.18 -1.37 0
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323025 126671814 1 ClS2O7N9C51H64 AB2C7D9E51F64 -204.19 11.16 -9.21 -1.46 0
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323026 126671816 1 OSN3C16H25 ABC3D16E25 -15.65 4.77 -8.37 -0.28 0
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323027 126671820 1 ClS2O8N9C54H62 AB2C8D9E54F62 -202.16 12.34 -8.14 -1.57 0
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323028 126671821 1 ClS2O8N9C55H64 AB2C8D9E55F64 -209.83 9.28 -8.22 -1.48 0
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323029 126671823 1 FSN4O4C29H37 ABC4D4E29F37 -157.38 5.07 -9.45 -0.65 0
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323030 126671832 1 ClS2O7N10C52H59 AB2C7D10E52F59 -158.41 7.12 -9.01 -1.4 0
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323031 126671835 1 ClS2O6N10C51H57 AB2C6D10E51F57 -115.04 12.57 -8.95 -1.47 0
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323032 126671836 1 SN8O8C56H66 AB8C8D56E66 -185.09 10.74 -8.25 -0.98 0
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323033 126671839 1 SO4N6C30H34 AB4C6D30E34 -84.1 7.28 -9.2 -0.96 0