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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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407931 135080686 1 NO2C12H15 AB2C12D15 -50.06 3.44 -8.88 0.05 0
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407932 135080687 1 FO6H9C12 AB6C9D12 -244.02 3.31 -8.75 -0.91 0
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407933 135080688 1 ClOF2H7C9 ABC2D7E9 -102.66 2.83 -9.44 -0.44 0
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407935 135080690 1 FOC14H17 ABC14D17 -70.19 2.2 -9.68 -0.72 0
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407936 135080691 1 BrSC10H11 ABC10D11 37.39 1.15 -8.67 -0.48 0
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407937 135080692 1 FO2C12H13 AB2C12D13 -111.23 2.82 -9.41 0.1 0
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407938 135080693 1 O3C12H14 A3B12C14 -74.2 1.75 -8.97 -0.26 0
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407939 135080694 1 ClSC13H25 ABC13D25 -46.18 1.86 -8.71 0.12 0
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407940 135080695 1 OSeN2H6C8 ABC2D6E8 24.0 3.03 -8.38 -1.39 0
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407941 135080696 2 O2C5H7 A2B5C7 -146.0 3.21 -10.63 -0.58 0
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407942 135080697 2 NOSC4H5 ABCD4E5 -62.1 5.96 -8.55 -1.06 0
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407943 135080698 1 NPH4O4C5F6 ABC4D4E5F6 -536.87 2.19 -11.93 -1.04 0
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407944 135080699 1 F2O3H12C13 A2B3C12D13 -203.23 4.05 -9.61 -1.03 0
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407945 135080700 2 O2C4H7 A2B4C7 -167.78 2.41 -10.24 -0.24 0
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407946 135080701 2 O2C6H9 A2B6C9 -189.41 5.28 -9.96 0.07 0
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407947 135080702 1 LiOSH3C6 ABCD3E6 33.46 7.8 -7.82 0.89 0
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407948 135080703 1 NOC11H17 ABC11D17 -40.83 2.68 -9.86 -0.12 -1
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407949 135080704 1 NO5C6H10 AB5C6D10 -213.33 1.75 0.0 0.0 0
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407950 135080705 1 NO5C6H11 AB5C6D11 -229.53 4.0 -10.28 -0.01 0
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407951 135080706 1 F3N3O3C7H8 A3B3C3D7E8 -190.93 3.9 -9.55 -1.06 0
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407952 135080707 1 NO2C12H15 AB2C12D15 -57.51 2.7 -9.56 0.08 0
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407953 135080708 4 OC2H4 AB2C4 -197.99 3.71 -10.28 -0.22 0
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407954 135080709 1 N3O5C7H13 A3B5C7D13 -163.72 7.26 -9.95 0.02 0
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407955 135080710 1 BrO2C9H9 AB2C9D9 -61.47 4.44 -9.85 -0.54 -1
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407956 135080711 1 NO5C8H14 AB5C8D14 -221.58 3.55 0.0 0.0 0
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407957 135080712 1 NO5C8H15 AB5C8D15 -236.47 4.19 -9.97 0.47 0
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407959 135080714 1 BrO2C6H13 AB2C6D13 -118.53 2.87 -10.62 -0.2 0
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407960 135080715 1 FNOC7H14 ABCD7E14 -125.33 5.25 -9.94 0.82 0
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407961 135080716 1 NO3C10H15 AB3C10D15 -129.87 2.68 -10.21 0.3 0
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407962 135080717 1 OC14H16 AB14C16 -26.2 3.4 -9.3 0.26 0
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407963 135080718 3 OC3H4 AB3C4 -93.46 2.67 -8.88 0.1 0
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407964 135080719 1 ClSC14H19 ABC14D19 1.73 2.17 -8.75 -0.01 0
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407966 135080721 1 ZnH4N8F28C40 AB4C8D28E40 -984.81 7.32 -8.93 -3.93 0
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407967 135080722 2 H3N4F14C20 A3B4C14D20 -1146.82 6.15 -9.19 -3.79 0
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407968 135080723 1 MgN16C32H48 AB16C32D48 444.22 16.33 -6.76 -0.87 0
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407969 135080724 1 MgN8O14H68C89 AB8C14D68E89 179.57 11.53 -7.08 -2.27 0
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407970 135080725 1 N8O14H70C89 A8B14C70D89 195.14 3.48 -7.97 -2.48 0
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407971 135080726 1 NiN11H21C29 AB11C21D29 587.63 6.51 -8.06 -2.47 0
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407972 135080727 1 N11H23C29 A11B23C29 304.48 5.38 -8.22 -2.75 0
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407973 135080728 1 NiN10C30H30 AB10C30D30 471.39 11.75 -7.56 -3.66 0
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407974 135080729 2 N5C15H16 A5B15C16 233.22 10.24 -7.9 -2.39 0
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407975 135080730 1 ClNO2C9H16 ABC2D9E16 -77.67 2.17 -9.28 0.41 0
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407976 135080731 1 ClNPO4C12H17 ABCD4E12F17 -199.78 8.56 -8.61 -0.57 0
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407977 135080732 1 CoO4Cl12N12H16C52 AB4C12D12E16F52 583.14 44.08 0.0 0.0 0
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407978 135080733 2 O2Cl6N6H9C26 A2B6C6D9E26 275.78 11.33 -8.43 -2.99 0
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407979 135080734 1 CoCl8O8N16H32C72 AB8C8D16E32F72 647.71 20.96 0.0 0.0 0
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407980 135080735 2 Cl4O4N8H17C36 A4B4C8D17E36 422.37 13.44 -8.13 -2.58 0
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407981 135080736 1 NiN8H44C48 AB8C44D48 386.9 9.21 -8.23 -2.02 0
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407982 135080737 1 PCl2O3C8H15 AB2C3D8E15 -194.02 1.97 -9.81 -0.27 0
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407983 135080738 1 ClOC10H11 ABC10D11 -29.83 1.33 -9.47 -0.18 0