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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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402654 135056740 1 ClOC14H15 ABC14D15 -12.56 3.46 -9.29 -0.14 0
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402655 135056742 1 N2F3O5H23C26 A2B3C5D23E26 -284.82 3.42 -8.5 -0.93 0
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402656 135056752 1 OC10H10 AB10C10 5.46 2.61 -9.41 0.1 0
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402657 135056758 1 N2O2C13H18 A2B2C13D18 -56.35 3.56 -7.92 0.11 0
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402658 135056761 1 NO3C10H19 AB3C10D19 -122.67 1.26 -9.38 0.64 0
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402659 135056777 1 OC11H16 AB11C16 -35.72 1.47 -9.14 1.08 0
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402660 135056780 1 NOLi2C10H17 ABC2D10E17 -75.69 5.45 -7.34 1.94 0
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402661 135056785 1 ON2S2H4C6 AB2C2D4E6 23.38 4.01 -9.12 -2.1 0
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402662 135056786 1 NO3C11H11 AB3C11D11 -73.85 3.18 -9.39 -1.11 0
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402663 135056789 1 NOC14H17 ABC14D17 23.32 2.07 -8.37 0.31 0
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402664 135056790 1 BrClLiZnO2C7H13 ABCDE2F7G13 -228.29 2.23 -10.6 -1.19 0
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402665 135056793 1 ClNO4C11H12 ABC4D11E12 -124.73 5.91 -10.53 -1.59 0
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402666 135056794 1 BKNF3H8C9 ABCD3E8F9 -291.34 10.79 -8.16 0.09 -1
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402667 135056795 1 BNF3H8C9 ABC3D8E9 -189.31 16.03 0.0 0.0 0
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402668 135056796 1 BKO2F3C8H9 ABC2D3E8F9 -394.56 11.86 -8.36 -0.14 -1
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402669 135056797 1 BO2F3C8H9 AB2C3D8E9 -319.86 2.76 0.0 0.0 0
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402670 135056801 1 NCl2O2H17C18 AB2C2D17E18 -65.08 2.65 -8.52 -0.71 0
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402671 135056808 1 ClO2H9C11 AB2C9D11 -33.1 1.01 -9.32 -1.25 0
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402672 135056810 1 NO2C9H19 AB2C9D19 -122.13 3.24 -9.32 1.13 0
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402673 135056816 1 NSO2C10H15 ABC2D10E15 -80.1 1.64 -9.32 -0.58 0
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402674 135056817 1 NOSeH6C7 ABCD6E7 30.9 4.25 0.0 0.0 0
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402675 135056819 1 NOTeC13H15 ABCD13E15 62.38 6.17 -8.98 -1.32 0
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402676 135056820 1 O2C13H18 A2B13C18 -96.21 1.44 -9.32 0.29 0
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402677 135056821 1 NO3C10H17 AB3C10D17 -115.03 2.07 -9.31 0.88 0
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402678 135056822 1 NO2C12H13 AB2C12D13 -59.18 5.17 -9.51 -0.55 0
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402679 135056824 1 FOH11C12 ABC11D12 -58.6 1.56 -9.02 -0.59 0
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402680 135056825 1 BOF3C9H10 ABC3D9E10 -316.17 8.0 -9.9 -0.94 0
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402681 135056831 1 OC14H14 AB14C14 -2.78 1.74 -8.86 -0.48 0
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402682 135056832 1 NOSiC12H21 ABCD12E21 -89.03 2.38 -8.52 0.29 0
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402683 135056834 1 O4C13H22 A4B13C22 -196.68 3.02 -10.32 0.59 0
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402684 135056840 1 SiO2C11H24 AB2C11D24 -121.34 1.72 -9.29 1.24 0
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402685 135056842 3 OC4H6 AB4C6 -125.65 2.05 -9.42 0.28 0
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402686 135056851 1 NO2C13H21 AB2C13D21 -75.68 2.29 -9.04 0.05 0
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402687 135056869 1 SeO2S2C10H12 AB2C2D10E12 1.08 4.67 -7.71 -1.73 0
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402688 135056876 1 PO5C9H17 AB5C9D17 -276.8 0.75 -10.04 0.19 0
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402689 135056877 1 OC15H18 AB15C18 -0.42 3.52 -9.38 0.33 0
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402690 135056881 1 SnC10H20 AB10C20 12.29 0.21 -9.25 1.06 0
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402691 135056886 1 OC15H18 AB15C18 -16.33 2.48 -8.87 -0.04 0
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402692 135056906 1 OSC12H12 ABC12D12 6.12 1.31 -8.52 -0.12 0
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402694 135056922 1 ClOSN2C11H13 ABCD2E11F13 -6.31 5.52 -8.87 -0.59 0
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402695 135056927 1 BrClON2C4H6 ABCD2E4F6 -17.34 3.87 -10.59 -0.8 0
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402696 135056928 1 ClFNC8H11 ABCD8E11 -67.76 5.46 -10.06 -0.27 0
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402697 135056929 1 O3C13H24 A3B13C24 -146.59 2.24 -9.96 0.85 0
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402698 135056938 1 SO2C9H10 AB2C9D10 -26.27 3.78 -9.44 -0.11 0
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402699 135056939 1 N2O3C11H16 A2B3C11D16 -127.67 6.88 -9.72 -0.09 0
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402700 135056941 2 OC5H6 AB5C6 -51.21 1.86 -9.17 -0.09 0
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402701 135056942 1 O3C10H14 A3B10C14 -114.53 3.15 -9.52 0.12 0
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402702 135056946 1 NO3C12H15 AB3C12D15 -122.27 4.22 -10.07 -0.17 0
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402703 135056955 1 OC10H16 AB10C16 -27.8 4.13 -9.87 -0.36 0
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402704 135056956 1 O2C13H18 A2B13C18 -60.31 1.69 -9.44 0.28 0
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402705 135056960 1 ISeN2H7C9 ABC2D7E9 81.53 3.69 -8.65 -0.79 0
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402706 135056961 1 NaO3C6H9 AB3C6D9 -172.74 5.29 -8.04 0.66 0
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402707 135056974 1 NOSC11H23 ABCD11E23 -55.47 3.7 -8.38 0.72 0
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402708 135056975 1 BrO2C13H13 AB2C13D13 -52.79 4.76 -9.65 -0.6 0
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402709 135056976 1 BrO3C10H11 AB3C10D11 -108.49 2.19 -9.91 -0.46 0
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402710 135056977 1 NO4C10H11 AB4C10D11 -128.79 4.61 -10.01 -0.35 0
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402711 135056979 1 O3C11H24 A3B11C24 -179.33 3.31 -9.96 1.6 0
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402712 135056987 1 SO3C9H16 AB3C9D16 -139.24 4.35 -9.57 -0.57 0
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402713 135056989 2 OC7H10 AB7C10 -73.69 3.47 -8.7 0.21 0
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402714 135056993 1 SO2C12H20 AB2C12D20 -113.13 2.54 -8.64 0.11 0
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402715 135056994 1 OC8H10 AB8C10 0.07 1.95 -9.58 0.14 0
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402716 135057006 2 C7H13 A7B13 -24.8 0.48 -9.46 1.26 0
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402717 135057007 1 N2S2C13H14 A2B2C13D14 58.15 3.15 -8.4 -0.77 0
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402718 135057009 1 O2N3C9H13 A2B3C9D13 -27.95 1.68 -9.84 -0.44 0
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402719 135057013 1 NO3C11H13 AB3C11D13 -23.74 6.9 -10.32 -1.34 0
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402720 135057016 1 OF3C11H13 AB3C11D13 -200.78 2.11 -9.71 0.06 0
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402721 135057017 1 OC14H20 AB14C20 -38.96 1.83 -9.52 0.09 0
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402722 135057019 1 ClC13H17 AB13C17 0.24 2.23 -9.3 0.39 0
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402723 135057024 1 O2F3H13C14 A2B3C13D14 -220.18 3.63 -10.0 -0.51 -1
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402724 135057034 1 AlNC13H27 ABC13D27 -4.94 7.51 0.0 0.0 0
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402725 135057035 1 OSiC12H16 ABC12D16 -26.63 4.23 -8.69 0.1 0
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402726 135057037 1 NO2C14H19 AB2C14D19 -70.11 3.59 -9.88 -0.35 1
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402727 135057038 1 BOPC9H11 ABCD9E11 93.91 7.51 0.0 0.0 0
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402728 135057039 1 SH5C7N7 AB5C7D7 207.64 1.79 -9.2 -1.2 0
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402729 135057040 2 HOSN3C4 ABCD3E4 87.28 0.69 -9.26 -2.14 0
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402730 135057041 1 OLi2C7H16 AB2C7D16 -74.64 12.17 -7.9 2.88 0
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402731 135057042 1 SiO2C13H20 AB2C13D20 -82.24 2.31 -8.79 0.33 0
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402732 135057043 1 O4C11H16 A4B11C16 -156.52 1.82 -9.35 0.37 0
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402733 135057045 1 ClSiO2C10H21 ABC2D10E21 -158.15 1.06 -8.98 -0.43 0
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402734 135057046 1 SO2C13H18 AB2C13D18 -85.98 1.17 -8.63 -0.22 0
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402735 135057064 1 BrClO2H8C11 ABC2D8E11 -51.47 6.13 -9.73 -1.32 0
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402736 135057071 1 OLi2C10H10 AB2C10D10 -43.86 7.35 -6.72 0.9 0
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402737 135057073 2 C3N4H8 A3B4C8 103.56 3.61 -8.57 0.85 0
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402738 135057088 1 O3C10H14 A3B10C14 -108.43 4.43 -8.76 -0.11 0
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402739 135057089 1 NO4C10H15 AB4C10D15 -168.71 2.89 -9.93 0.37 0
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402740 135057090 1 OSC13H18 ABC13D18 -34.15 3.15 -8.44 0.0 0
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402741 135057104 2 OC7H10 AB7C10 -90.72 1.7 -9.55 -0.48 0
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402742 135057105 2 O2C5H6 A2B5C6 -154.76 3.98 -9.86 -0.51 0
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402743 135057106 1 OC12H18 AB12C18 -10.63 2.43 -8.84 -0.13 0
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402744 135057107 1 NOSC9H11 ABCD9E11 17.48 1.27 -8.81 0.02 0
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402745 135057113 1 BO2C13H21 AB2C13D21 -91.97 4.93 -9.25 -0.04 0
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402746 135057115 1 OC13H18 AB13C18 -27.34 1.59 -9.37 0.35 0
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402747 135057120 1 ClN3C9H10 AB3C9D10 54.39 4.56 -10.24 -1.22 0
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402748 135057126 1 IO2C10H11 AB2C10D11 -37.78 1.82 -9.72 -1.66 0
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402749 135057127 1 OC14H18 AB14C18 -30.92 2.41 -9.16 0.41 0
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402750 135057132 1 OS2C8H18 AB2C8D18 -70.37 2.72 -8.32 -0.61 0
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402751 135057134 1 ClON2C12H15 ABC2D12E15 0.45 5.16 -8.66 -0.63 0
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402752 135057137 1 FO3H9C11 AB3C9D11 -127.61 4.14 -9.97 -0.76 0
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402753 135057138 1 BrSH11C13 ABC11D13 59.18 0.61 -8.86 -0.64 0
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402754 135057139 1 Cl2O2H12C13 A2B2C12D13 -74.86 3.61 -9.54 -0.48 0