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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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232659 87576653 1 SN2O4H26C30 AB2C4D26E30 -89.63 7.18 -8.79 -1.26 0
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232660 87576654 1 ClO3N5C18H20 AB3C5D18E20 -55.61 7.33 -8.75 -0.72 0
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232661 87576658 1 ClO4N5C17H18 AB4C5D17E18 -111.07 8.21 -9.23 -1.02 0
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232662 87576661 1 SN2O4C5H12 AB2C4D5E12 -170.69 4.76 -10.02 -0.3 0
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232663 87576662 1 S2O3H6C8 A2B3C6D8 -82.11 4.31 -9.21 -1.28 0
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232664 87576666 2 SN3O6H29C30 AB3C6D29E30 -376.23 17.35 -8.13 -1.63 0
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232665 87576670 1 ClON6C16H21 ABC6D16E21 12.45 6.95 -8.85 -0.44 0
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232666 87576671 1 BrClSiO3N4C22H30 ABCD3E4F22G30 -128.86 3.46 -8.8 -0.64 0
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232667 87576672 1 ClO2N5C15H16 AB2C5D15E16 -16.06 3.3 -9.01 -0.53 0
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232668 87576676 1 N4O7C31H36 A4B7C31D36 -193.6 4.13 -8.84 -0.88 0
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232669 87576680 1 MnO2C8H20 AB2C8D20 -70.9 3.23 0.0 0.0 0
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232670 87576682 1 BrSiO2C11H22 ABC2D11E22 -131.66 3.64 0.0 0.0 0
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232671 87576685 1 O4N5F6H17C24 A4B5C6D17E24 -384.13 4.26 -9.66 -1.3 0
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232672 87576686 2 ClC5H9 AB5C9 -53.95 0.24 -10.4 -0.16 0
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232673 87576688 1 NSiO2C12H15 ABC2D12E15 -49.63 5.11 -8.97 -0.41 0
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232674 87576694 1 ClN2O3H13C14 AB2C3D13E14 -69.77 4.38 -9.09 -1.29 0
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232675 87576696 1 NSO4C9H13 ABC4D9E13 -149.21 5.56 -9.44 -0.42 0
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232676 87576697 1 BrNOC9H12 ABCD9E12 -48.22 3.4 -9.53 -0.45 0
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232677 87576699 1 NSO5C8H15 ABC5D8E15 -212.55 6.02 -8.61 0.1 0
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232678 87576700 1 NO2C10H19 AB2C10D19 -101.97 2.65 -9.03 -0.12 0
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232679 87576701 1 NO2C10H19 AB2C10D19 -90.08 2.07 -8.75 -0.04 0
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232680 87576703 1 O8C13H22 A8B13C22 -389.61 10.2 -10.69 -0.23 -1
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232683 87576717 1 O5N9C54H75 A5B9C54D75 -214.59 8.5 -8.48 -0.22 0
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232684 87576718 2 NO2C14H14 AB2C14D14 -105.03 4.19 -8.45 -0.67 0
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232685 87576719 1 AgNC18H19 ABC18D19 92.92 4.62 0.0 0.0 1
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232686 87576720 1 SN2O5C24H53 AB2C5D24E53 -266.8 14.46 0.0 0.0 0
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232687 87576723 1 NOC11H13 ABC11D13 5.76 2.78 -9.38 -0.78 0
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232688 87576726 2 ClC6H11 AB6C11 -60.69 3.56 -10.29 0.01 0
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232689 87576727 2 ClC6H11 AB6C11 -63.84 0.76 -10.39 -0.17 0
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232690 87576729 2 NOC3H6 ABC3D6 -4.66 4.36 -8.88 -0.97 0
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232691 87576730 1 OSiCl2C4H8 ABC2D4E8 -134.55 0.87 -9.97 -0.17 0
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232692 87576732 1 OSiCl2C4H6 ABC2D4E6 -2.13 1.97 -8.25 -1.83 0
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232693 87576734 1 NO3C21H25 AB3C21D25 -125.93 5.69 -9.35 0.04 0
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232694 87576736 1 O2C13H14 A2B13C14 -45.93 5.47 -9.75 -0.42 0
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232695 87576737 1 ClNOC4H6 ABCD4E6 -38.92 3.78 -9.38 -0.64 0
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232696 87576740 1 PN5F6O6C16H20 AB5C6D6E16F20 -546.67 9.16 -9.64 -1.56 0
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232697 87576741 1 NSO3C22H33 ABC3D22E33 -127.25 7.77 -8.53 -0.75 0
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232698 87576743 1 ClOSiN4C13H23 ABCD4E13F23 -83.26 2.73 -8.87 -0.3 0
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232699 87576745 1 ClON7C19H22 ABC7D19E22 51.88 2.6 -8.92 -0.56 0
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232700 87576746 1 NO2Cl3C18H18 AB2C3D18E18 -49.49 3.6 -9.13 -0.53 0
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232702 87576753 2 NSO2C9H18 ABC2D9E18 -195.12 4.99 -8.62 -1.0 0
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232703 87576757 1 SeN2H6C12 AB2C6D12 121.65 6.26 -9.0 -1.75 0
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232704 87576759 1 BrNOC10H14 ABCD10E14 -52.54 3.35 -9.56 -0.44 0
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232705 87576760 1 AsNO3C32H34 ABC3D32E34 33.8 5.06 -7.83 -0.72 0
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232706 87576764 4 O2C4H7 A2B4C7 -397.37 7.25 -10.48 -0.39 0
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232707 87576765 1 ClION5C16H17 ABCD5E16F17 47.61 7.44 -8.57 -0.75 0
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232708 87576769 1 N8O8H28C31 A8B8C28D31 -127.16 10.89 -9.23 -1.5 0
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232709 87576772 1 S2O4N7C18H23 A2B4C7D18E23 -75.21 6.48 -8.7 -1.38 0
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232710 87576780 1 AsO2F3H8C10 AB2C3D8E10 -132.74 4.23 -8.87 -1.16 0
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232711 87576782 1 N2O6C11H20 A2B6C11D20 -274.91 10.74 -10.14 0.1 0
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232712 87576786 1 SiCl3H11C15 AB3C11D15 -65.95 1.18 -8.27 -1.0 0
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232713 87576791 1 OSeC12H14 ABC12D14 -27.54 1.95 -8.34 -0.02 0
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232714 87576795 1 ClON6C19H25 ABC6D19E25 -19.07 2.26 -8.95 -0.32 0
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232715 87576798 1 S3H10C11 A3B10C11 84.12 3.69 -8.88 -1.31 0
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232716 87576799 2 NOC10H11 ABC10D11 -44.74 3.94 -8.44 -0.22 -1
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232717 87576800 1 HfCl2C23H23 AB2C23D23 -21.75 5.41 0.0 0.0 0
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232718 87576801 1 ON2H6C12 AB2C6D12 89.28 6.2 -9.67 -1.66 0
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232719 87576805 1 SiO3C20H44 AB3C20D44 -313.28 2.59 -9.63 0.98 0
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232720 87576807 1 O2F3N3C16H28 A2B3C3D16E28 -270.2 4.5 -8.89 -0.18 0
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232721 87576813 1 ClNaSO3H8C14 ABCD3E8F14 -125.19 13.26 -9.26 -1.25 0
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232722 87576814 1 SN3O4F5C25H26 AB3C4D5E25F26 -373.7 3.55 -8.66 -0.78 0
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232723 87576816 1 ClO4N6C22H29 AB4C6D22E29 -125.76 4.23 -8.85 -0.33 0
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232724 87576817 1 O2N3C25H27 A2B3C25D27 -18.49 4.51 -9.28 -0.92 0
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232725 87576819 1 O2N3C22H27 A2B3C22D27 8.11 7.75 -9.21 -2.26 0
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232726 87576821 1 PN7O10C48H64 AB7C10D48E64 -456.94 1.88 -9.11 -0.45 0
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232727 87576823 1 O8C11H14 A8B11C14 -335.67 5.62 -10.65 -0.74 0
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232728 87576827 1 BN2F4C10H17 AB2C4D10E17 -338.64 13.74 -10.27 -1.1 0
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232729 87576828 1 SrO6C8H10 AB6C8D10 -281.05 7.56 -8.53 -0.58 0
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232730 87576833 1 NCl2O2F3H14C17 AB2C2D3E14F17 -199.91 3.82 -9.31 -0.77 0
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232731 87576834 1 OSiCl3C4H7 ABC3D4E7 -155.42 3.87 -10.7 -0.45 0
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232732 87576837 1 S2N6C23H34 A2B6C23D34 85.37 5.0 -8.93 0.07 0
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232733 87576839 1 S2N6C23H34 A2B6C23D34 75.78 4.96 -8.8 0.1 0
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232734 87576841 1 N3O3C11H23 A3B3C11D23 -124.49 1.75 -9.41 -0.08 0
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232735 87576842 1 N3O3C11H23 A3B3C11D23 -131.5 1.37 -9.61 0.14 0
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232736 87576843 1 NO2Cl3H22C23 AB2C3D22E23 -55.46 1.75 -8.86 -0.65 0