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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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226645 87550956 1 O4C17H24 A4B17C24 -129.9 4.16 -8.2 0.16 0
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226646 87550957 2 O3C6H8 A3B6C8 -227.81 3.92 -10.64 -0.45 0
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226647 87550958 1 FO2N3H16C19 AB2C3D16E19 67.15 3.34 -9.04 -1.18 0
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226648 87550959 1 ClS2N4O5H29C33 AB2C4D5E29F33 -73.47 1.6 -8.63 -1.0 -1
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226650 87550961 1 MgNaH5C6O7 ABC5D6E7 -368.93 7.27 -9.45 -1.03 0
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226651 87550962 1 SO3C4F5H5 AB3C4D5E5 -399.43 5.55 -12.25 -0.92 0
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226652 87550964 1 ClFNO7H17C21 ABCD7E17F21 -174.71 5.63 -9.54 -1.22 0
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226653 87550968 1 N4O4Si4C19H46 A4B4C4D19E46 -376.41 5.54 -9.51 0.83 0
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226654 87550969 1 NF6H15C17 AB6C15D17 -269.97 2.1 -8.26 -1.52 2
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226655 87550970 1 BrCP2H3O6 ABC2D3E6 -342.8 4.33 -10.95 -1.5 0
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226656 87550971 1 NSC6O6H15 ABC6D6E15 -281.36 2.73 -10.18 -0.26 0
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226657 87550980 1 NO3C4H11 AB3C4D11 -154.35 2.07 -9.82 1.78 0
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226658 87550981 1 BrN4S5O7H23C29 AB4C5D7E23F29 -92.43 14.2 -9.02 -1.54 0
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226659 87550983 2 ON2H8C9 AB2C8D9 109.85 3.84 -9.11 -1.21 0
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226660 87550984 1 ClFON2C10H10 ABCD2E10F10 -29.49 5.59 -10.13 -0.78 1
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226661 87550985 1 ClSN2O4C12H26 ABC2D4E12F26 -183.5 4.83 0.0 0.0 1
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226662 87550986 1 ClSN2O4C12H26 ABC2D4E12F26 -184.87 5.29 0.0 0.0 0
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226663 87550988 1 ClF3N3O5C29H35 AB3C3D5E29F35 -358.9 11.68 -9.66 -0.87 0
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226664 87550989 2 ClO2S2N3C26H32 AB2C2D3E26F32 -84.71 4.33 -8.31 -1.42 0
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226665 87550990 1 FSN4O5H23C24 ABC4D5E23F24 -163.21 8.45 -8.82 -1.41 0
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226666 87550995 1 ClOSN4C15H17 ABCD4E15F17 29.82 2.81 -9.11 -0.8 0
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226667 87550999 1 NSCl2O3H13C14 ABC2D3E13F14 -87.18 10.13 -8.61 -1.23 0
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226668 87551002 2 NPO4C8H20 ABC4D8E20 -509.71 22.84 -9.22 -0.96 2
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226669 87551004 2 NPO4C8H22 ABC4D8E22 -410.09 21.04 -5.42 -0.39 0
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226670 87551006 1 ClSN2O5H27C28 ABC2D5E27F28 -112.78 2.45 -8.84 -1.22 0
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226671 87551007 1 ClN2O4C17H21 AB2C4D17E21 -163.45 3.35 -8.69 -0.36 0
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226672 87551010 1 NF2O3C10H11 AB2C3D10E11 -69.04 3.58 -9.51 -0.98 0
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226673 87551011 1 ClN2O5C13H19 AB2C5D13E19 -182.28 19.49 -7.95 -1.42 0
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226674 87551012 1 ClN2O5C13H17 AB2C5D13E17 -150.77 6.28 -9.44 -2.41 0
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226675 87551013 1 N2O5C13H16 A2B5C13D16 -170.98 4.65 -8.84 -0.23 0
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226676 87551014 1 S4O5N6C60H82 A4B5C6D60E82 -145.1 8.57 -8.14 -0.41 0
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226677 87556690 1 NOH23C24 ABC23D24 9.57 4.06 -8.82 -0.39 0
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226678 87556705 1 O2C11H22 A2B11C22 -121.06 2.24 -9.18 0.91 0
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226679 87556834 1 PO19C63H111 AB19C63D111 -817.85 3.06 -9.11 0.1 1
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226680 87556841 1 N2O4C9H15 A2B4C9D15 -126.26 8.42 0.0 0.0 0
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226681 87556842 1 N4H10C11 A4B10C11 92.13 6.37 -9.36 0.11 0
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226682 87556843 2 ClNOC4H7 ABCD4E7 -129.33 0.03 -9.97 -0.1 0
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226684 87556873 1 N2C25H26 A2B25C26 74.8 1.15 -8.62 -0.34 0
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226685 87556877 1 BrFNH5C8 ABCD5E8 42.45 2.8 -9.96 -0.62 0
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226686 87556882 1 O6C33H62 A6B33C62 -407.26 2.98 -10.74 0.68 0
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226687 87556884 1 OAl2C5H9 AB2C5D9 -35.88 0.98 0.0 0.0 1
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226688 87556885 1 SF3N3O7C24H37 AB3C3D7E24F37 -430.81 8.85 0.0 0.0 0
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226689 87556895 1 AlO2C38H63 AB2C38D63 -232.86 0.2 -8.18 0.69 0
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226690 87556906 1 N2S2C9H18 A2B2C9D18 4.9 5.93 -8.43 -0.42 0
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226691 87556911 1 NO2C21H45 AB2C21D45 -201.45 1.39 -9.48 2.15 0
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226692 87556912 1 SC7O7H10 AB7C7D10 -282.44 1.54 -10.08 -0.91 0
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226693 87556913 1 NO2C21H45 AB2C21D45 -199.21 1.24 -9.61 2.1 0
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226694 87556914 1 I2N2C21H28 A2B2C21D28 20.33 2.34 -8.25 -0.73 0
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226695 87556917 1 N5H7C10 A5B7C10 121.67 3.53 -11.11 -1.44 0
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226696 87556921 1 N2Si3C15H35 A2B3C15D35 -20.58 1.56 0.0 0.0 0
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226697 87556927 1 BrNF2O2H14C15 ABC2D2E14F15 -77.1 9.15 -8.92 -1.71 0
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226698 87556932 1 O2S5H10C12 A2B5C10D12 -23.19 7.96 -8.73 -1.5 0
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226699 87556956 3 OC3H6 AB3C6 -165.33 3.14 -10.19 0.47 0
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226700 87556958 1 NO3C9H21 AB3C9D21 -178.54 2.92 -10.24 0.82 0
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226701 87556960 3 OC3H6 AB3C6 -166.08 0.6 -10.34 0.39 0
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226702 87556962 1 SN3O5C21H21 AB3C5D21E21 -114.33 4.96 -8.04 -0.69 0
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226705 87556970 1 NOC13H21 ABC13D21 -38.44 2.92 -9.32 0.38 0
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226706 87556972 1 H28C37 A28B37 182.7 1.63 -7.9 -1.55 0
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226707 87556973 2 O2C12H23 A2B12C23 -255.61 3.76 -10.19 0.51 0
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226708 87556980 1 SO2C10H12 AB2C10D12 -54.07 4.65 -8.98 -0.31 0
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226709 87557018 1 NCl2O2C10H15 AB2C2D10E15 -111.34 4.08 -9.99 -0.61 0
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226710 87557019 1 N2O5H28C32 A2B5C28D32 -84.56 8.14 -9.17 -0.99 0
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226711 87557025 1 ON2C12H22 AB2C12D22 -51.68 2.62 -9.62 0.67 0
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226712 87557026 1 SCl2O3N4H22C24 AB2C3D4E22F24 -6.26 6.09 -9.08 -0.97 0
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226713 87557032 1 N3O4C7H13 A3B4C7D13 -178.35 8.77 -9.87 -0.39 0
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226715 87557036 2 ClO3C39H62 AB3C39D62 -426.62 7.92 -10.03 -0.99 0
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226716 87557054 1 NPO3C20H42 ABC3D20E42 -255.09 8.66 -8.91 1.7 0
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226717 87557056 1 PSN4O5C20H23 ABC4D5E20F23 -206.77 5.85 -8.73 -0.8 0
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226718 87557068 1 NO2C11H17 AB2C11D17 -42.72 3.68 -7.85 -0.24 -2
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226719 87557817 1 SiZrCl2C25H32 ABC2D25E32 0.48 3.14 -7.46 -0.9 0
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226720 87557818 2 O2C4H5 A2B4C5 -160.44 9.13 -10.66 -0.34 0
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226721 87557833 1 OSN4C14H20 ABC4D14E20 -25.16 2.12 -8.68 -0.11 0
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226722 87557842 1 N2O4H14C17 A2B4C14D17 -63.57 2.99 -9.38 -0.2 1
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226723 87557843 1 N2F3O5C27H36 A2B3C5D27E36 -332.05 13.12 0.0 0.0 0
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226724 87557845 1 Br2O4C11H18 A2B4C11D18 -202.96 4.25 -10.59 -1.46 1