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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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12638 142322 2 C7H10 A7B10 -15.08 1.0 -9.0 0.53 0
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12639 142336 1 OH10C13 AB10C13 -6.06 2.39 -8.84 -0.57 0
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12640 142337 18 CH AB 29.94 0.02 -9.05 0.43 0
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12641 142433 1 HfSi4C16H44 AB4C16D44 -232.25 10.51 -7.23 -1.72 0
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12642 142441 3 OC2H2 AB2C2 -47.11 2.23 -8.3 0.14 0
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12643 142535 2 C2H3N5 A2B3C5 222.19 0.62 -10.79 -2.56 0
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12644 142537 1 N2O2F3C9H9 A2B2C3D9E9 -142.29 10.64 -9.22 -1.36 0
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12645 142538 2 C4H5 A4B5 45.89 0.0 -9.39 1.18 0
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12646 142539 2 C5H8 A5B8 -9.02 0.68 -8.46 0.83 0
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12647 142570 1 NC15H15 AB15C15 55.98 1.27 -8.59 0.23 0
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12648 142589 1 OC11H14 AB11C14 -15.4 0.56 -9.0 0.17 0
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12649 142591 1 NO4H9C10 AB4C9D10 -44.72 3.71 -10.04 -1.81 0
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12650 142672 1 NPC20H20 ABC20D20 69.73 4.33 -7.85 -0.06 0
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12651 142677 1 NO3C14H21 AB3C14D21 -60.95 7.64 -9.75 -1.11 0
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12652 142691 2 NC3H8 AB3C8 -2.05 2.02 -8.6 2.37 0
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12653 142716 1 OC19H22 AB19C22 -23.04 2.09 -9.19 0.31 0
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12654 142727 1 N2C5H14 A2B5C14 6.22 2.11 -8.73 2.4 0
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12656 142844 1 CHgF3 ABC3 -150.27 2.91 0.0 0.0 1
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12657 142869 1 BrNO2C10H10 ABC2D10E10 -23.12 4.31 -8.75 -0.37 0
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12658 142974 2 NOC10H12 ABC10D12 -55.38 3.13 -8.81 0.38 0
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12659 143030 2 BrHSC3 ABCD3 62.27 1.75 -8.83 -1.05 0
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12660 143063 1 FN2C9H11 AB2C9D11 -0.82 2.23 -8.67 -0.01 0
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12661 143089 2 NC5H10 AB5C10 -9.52 1.35 -7.94 2.47 0
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12662 143120 1 ZrCl2 AB2 -52.53 0.03 -6.39 -1.04 0
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12663 143212 1 C17H32 A17B32 -65.92 0.09 -10.04 3.94 0
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12664 143213 1 C17H32 A17B32 -73.17 0.07 -10.42 4.04 0
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12665 143215 1 AuPC11H22 ABC11D22 152.05 1.98 -8.92 -1.7 -3
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12666 143233 1 WN6C12H36 AB6C12D36 195.56 7.76 -5.91 1.09 -6
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12667 143235 2 N2C3H6 A2B3C6 66.56 4.12 -8.22 0.09 0
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12668 143238 1 OC17H20 AB17C20 -16.0 2.89 -9.14 -0.38 0
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12669 143239 1 OC13H16 AB13C16 -49.03 4.16 -8.93 0.34 0
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12671 143293 1 OC8H12 AB8C12 -51.78 3.58 -9.65 0.84 0
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12672 143333 1 NO2C9H11 AB2C9D11 -48.54 1.92 -8.99 0.27 0
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12673 143447 1 F2C3H4 A2B3C4 -79.25 0.91 -11.68 1.77 0
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12674 143460 4 C2H3 A2B3 37.43 0.35 -9.82 1.05 0
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12675 143467 1 C4H4N4O7 A4B4C4D7 -7.44 2.37 -11.64 -1.87 0
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12676 143623 1 ClNOC11H18 ABCD11E18 -66.73 0.37 -8.75 0.22 0
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12677 143639 1 OC9H20 AB9C20 -93.83 1.91 -10.11 3.01 0
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12678 143655 1 N3O5C14H23 A3B5C14D23 -178.37 6.27 -9.03 -0.09 0
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12679 143656 2 OC6H12 AB6C12 -128.47 2.34 -9.41 2.3 0
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12680 143667 1 O4N5C13H19 A4B5C13D19 -94.83 4.26 -8.9 -0.34 0
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12681 143714 1 C11H12 A11B12 31.45 0.24 -8.6 0.57 0
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12682 143716 1 O2C7H8 A2B7C8 -34.39 0.97 -10.44 0.19 0
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12683 143750 1 BrNO2C11H16 ABC2D11E16 -68.8 4.17 -8.55 -0.06 0
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12684 143770 1 NS2H15C23 AB2C15D23 149.71 3.58 -7.88 -1.97 0
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12685 143785 12 CH AB 68.39 0.01 -8.64 0.26 0
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12686 143791 1 NiC5H5 AB5C5 87.24 2.58 0.0 0.0 -5
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12687 143804 1 O2C13H20 A2B13C20 -79.29 3.09 -8.7 0.4 0
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12688 143809 1 OC8H14 AB8C14 -32.61 1.63 -8.65 0.86 0
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12689 143832 1 NO2C11H11 AB2C11D11 -29.08 1.81 -9.06 -0.32 0
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12690 143838 3 C3H4 A3B4 55.9 1.22 -9.22 1.23 0
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12691 143918 1 OS2H4C7 AB2C4D7 -4.94 4.06 -9.3 -1.1 0
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12692 143939 2 N2O3C18H20 A2B3C18D20 -119.1 3.29 -7.91 -1.43 0
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12693 143946 1 NOC4H7 ABC4D7 -18.66 3.29 -10.54 0.71 0
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12694 143969 4 C4H5 A4B5 59.93 0.54 -8.17 -0.37 0
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12695 144011 1 GeSC14H14 ABC14D14 37.71 1.94 -8.14 0.03 0
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12696 144012 2 O6C13H19 A6B13C19 -279.73 7.69 -10.09 -1.8 0
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12697 144013 1 OH12C13 AB12C13 21.6 3.85 -9.44 -0.33 0
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12700 144087 1 SN3C4H7 AB3C4D7 72.91 5.15 -8.57 -1.1 0
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12701 144125 2 ClSiC4H9 ABC4D9 -85.66 0.02 -9.09 0.18 0
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12702 144126 2 BrSiC4H9 ABC4D9 -65.78 0.01 -9.32 -0.51 0
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12703 144137 1 Br2S3H4C8 A2B3C4D8 88.08 2.2 -8.74 -0.91 0
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12704 144173 2 C7H10 A7B10 -18.28 1.05 -8.92 0.63 0
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12705 144182 4 C2H3 A2B3 36.95 1.23 -10.4 1.73 0
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12706 144273 1 NC8H15 AB8C15 5.2 1.6 -9.11 0.39 0
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12707 144316 2 OC4H5 AB4C5 -76.77 0.63 -10.15 0.14 0
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12708 144327 2 NC6H14 AB6C14 -31.64 1.83 -8.47 2.37 0
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12709 144365 1 SiC8H16 AB8C16 -28.19 0.65 -9.13 1.4 0
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12710 144383 1 OC11H16 AB11C16 -36.55 2.38 -9.62 1.07 0
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12711 144397 1 O3C10H12 A3B10C12 -117.51 6.38 -9.33 -0.25 0
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12712 144422 4 H5C11 A5B11 291.56 0.53 -8.05 -1.26 0
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12713 144457 1 SO2C6H12 AB2C6D12 -108.71 4.9 -9.17 0.26 0
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12714 144463 2 C3H4 A3B4 63.17 0.14 -9.96 0.85 0
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12715 144464 1 SO4C26H34 AB4C26D34 -170.7 3.45 -8.26 -0.23 0
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12716 144470 1 O2C15H18 A2B15C18 -76.25 2.26 -9.37 0.33 0