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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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407877 135080632 1 NO2C11H19 AB2C11D19 -100.23 3.61 -10.97 0.48 0
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407878 135080633 2 O3C4H8 A3B4C8 -277.33 3.48 -10.36 0.57 -2
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407879 135080634 1 NO5C8H13 AB5C8D13 -212.31 0.91 -8.68 0.34 -2
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407880 135080635 1 PC7O8H13 AB7C8D13 -303.13 3.73 -10.34 -1.69 -2
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407881 135080636 1 NO4C11H17 AB4C11D17 -188.75 1.6 -8.36 0.29 0
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407882 135080637 1 N3O5C6H11 A3B5C6D11 -154.4 1.5 -10.33 -0.55 0
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407883 135080638 1 O3C14H16 A3B14C16 -121.46 5.34 -9.71 -0.58 0
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407884 135080639 1 BrNOC10H10 ABCD10E10 -1.66 4.8 -9.94 -0.54 0
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407885 135080640 1 IO2C9H9 AB2C9D9 -48.15 3.27 -9.72 -1.22 -2
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407886 135080641 1 NO5C6H9 AB5C6D9 -206.37 2.88 -8.48 0.67 0
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407887 135080642 1 O2C9H14 A2B9C14 -86.1 4.33 -9.72 0.07 0
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407888 135080643 1 O2C15H20 A2B15C20 -89.59 3.95 -9.44 0.31 0
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407889 135080644 1 OSN2C10H10 ABC2D10E10 26.67 10.08 -9.71 -1.14 0
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407890 135080645 1 O3C13H16 A3B13C16 -94.75 3.89 -9.4 0.06 0
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407891 135080646 1 NO3C11H19 AB3C11D19 -144.68 4.41 -11.29 -0.23 0
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407892 135080647 1 BrSC11H13 ABC11D13 29.27 3.33 -8.7 -0.21 0
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407893 135080648 1 SO2C8H8 AB2C8D8 -59.79 4.68 -9.48 -0.58 0
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407894 135080649 1 TiN9C68H81 AB9C68D81 187.1 7.44 -7.05 -1.6 0
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407896 135080651 1 ZnN8O8C136H160 AB8C8D136E160 78.19 2.03 -7.96 -2.42 0
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407897 135080652 2 N4O4C68H81 A4B4C68D81 88.2 17.85 -7.23 -2.72 0
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407898 135080653 1 NiN8H30C44 AB8C30D44 551.51 6.41 -8.63 -1.79 0
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407899 135080654 1 ClNO2C8H14 ABC2D8E14 -75.5 2.22 -9.26 0.45 0
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407900 135080655 1 CoN24C120H160 AB24C120D160 772.79 133.51 0.0 0.0 0
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407901 135080656 6 N4C20H27 A4B20C27 534.96 4.56 -8.12 -2.38 0
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407902 135080657 1 ZnCl8O8N16H32C72 AB8C8D16E32F72 481.94 10.76 -7.81 -3.4 0
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407903 135080658 2 Cl4O4N8H17C36 A4B4C8D17E36 436.2 12.18 -9.16 -2.7 0
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407904 135080659 1 IInN8O8C160H184 ABC8D8E160F184 218.53 12.02 -7.17 -2.42 0
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407907 135080662 1 BON6H15C25 ABC6D15E25 100.87 3.38 -7.61 -2.08 0
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407908 135080663 1 BN12O13H37C58 AB12C13D37E58 345.06 11.07 -8.48 -3.37 0
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407909 135080664 1 BN6O13H55C70 AB6C13D55E70 -142.39 31.72 -6.92 -4.72 0
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407910 135080665 3 OZnS6N9C69H87 ABC6D9E69F87 1073.46 8.56 -7.7 -2.78 0
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407912 135080667 1 BrNSO2C12H16 ABCD2E12F16 -45.61 3.86 -9.24 -0.66 0
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407913 135080668 1 N2O3C11H14 A2B3C11D14 -124.18 3.63 -10.09 -0.17 0
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407914 135080669 1 NSeO2C11H11 ABC2D11E11 -28.69 4.6 -8.57 -0.56 0
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407915 135080670 1 F2C13H14 A2B13C14 -63.79 2.1 -9.57 0.09 0
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407916 135080671 1 O3C12H20 A3B12C20 -156.24 2.95 -10.12 0.36 0
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407917 135080672 1 OF2C11H14 AB2C11D14 -141.6 2.54 -9.82 -0.04 0
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407918 135080673 1 N3O5C6H11 A3B5C6D11 -155.04 2.53 -10.2 -0.59 0
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407919 135080674 1 ON2C12H16 AB2C12D16 -10.09 5.04 -9.51 -0.48 0
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407920 135080675 1 NO3C9H15 AB3C9D15 -80.69 6.47 -10.27 -0.52 -2
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407921 135080676 1 NPC6O8H12 ABC6D8E12 -312.34 2.14 -10.16 -1.67 0
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407922 135080677 1 F3N3O3C7H8 A3B3C3D7E8 -192.59 2.27 -10.73 -1.46 0
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407923 135080678 1 LiNSH10C13 ABCD10E13 91.63 7.18 -7.22 0.37 0
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407924 135080679 1 NO5C7H13 AB5C7D13 -166.54 3.5 -10.67 -0.44 0
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407925 135080680 1 NC7O7H13 AB7C7D13 -246.95 2.44 -10.69 -0.74 0
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407926 135080681 1 NOF3H10C11 ABC3D10E11 -167.09 5.25 -10.31 -0.82 0
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407927 135080682 1 NO2C12H17 AB2C12D17 -80.63 3.17 -9.37 0.35 -2
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407928 135080683 1 NO5C7H11 AB5C7D11 -216.67 1.28 -8.67 0.03 0
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407929 135080684 1 NO2C11H13 AB2C11D13 -46.45 1.89 -9.02 0.04 -2
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407930 135080685 1 NO4C10H15 AB4C10D15 -179.98 1.3 -8.17 0.1 0
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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