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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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413714 135086664 1 ClN2O4H23C27 AB2C4D23E27 -68.22 3.15 -8.67 -1.06 0
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413715 135086665 1 NF3C12H18 AB3C12D18 -162.71 5.55 -10.34 0.54 0
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413716 135086666 1 NSBr2O2C24H33 ABC2D2E24F33 -80.59 4.36 -9.32 -0.89 0
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413717 135086667 1 SSiO5C27H34 ABC5D27E34 -172.83 1.87 -8.81 -1.27 0
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413718 135086668 1 SiF3O5C30H35 AB3C5D30E35 -324.52 4.69 -8.78 -1.53 0
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413719 135086669 1 SiO5C32H42 AB5C32D42 -194.46 5.71 -8.62 -1.02 0
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413720 135086670 1 NC21H27 AB21C27 39.5 1.76 -8.76 0.42 0
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413721 135086671 2 OC10H13 AB10C13 -77.52 3.65 -8.58 -0.09 0
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413722 135086672 1 O7C22H22 A7B22C22 -260.72 3.01 -10.12 -0.72 0
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413723 135086673 1 O3C13H18 A3B13C18 -99.23 4.88 -8.37 -0.04 0
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413724 135086674 1 NO2F3H12C17 AB2C3D12E17 -166.54 1.42 -9.5 -1.11 0
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413725 135086675 1 O2C21H26 A2B21C26 -77.97 2.07 -8.95 -0.51 0
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413726 135086676 1 BrO2C16H21 AB2C16D21 -87.06 2.75 -9.64 -0.36 0
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413727 135086677 1 S2O3H16C17 A2B3C16D17 -8.87 6.09 -8.3 -1.02 0
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413728 135086678 1 SO2C20H20 AB2C20D20 -1.98 5.8 -8.56 -0.65 0
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413729 135086679 1 ClO2S2H15C17 AB2C2D15E17 5.4 7.94 -8.78 -1.13 0
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413730 135086680 1 SeO2C20H22 AB2C20D22 -56.08 6.06 -8.7 -0.75 0
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413731 135086681 1 STeC18H28 ABC18D28 -6.33 2.83 -8.03 -0.01 0
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413732 135086682 2 H10C11 A10B11 64.38 0.85 -8.77 -0.18 0
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413733 135086683 1 NOSiC9H15 ABCD9E15 -32.84 5.19 -8.94 0.16 0
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413734 135086684 1 O2C15H20 A2B15C20 -79.55 1.88 -9.43 -0.36 0
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413735 135086685 1 NF3O3C18H20 AB3C3D18E20 -282.82 2.27 -10.13 -0.81 0
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413736 135086686 1 NO4C15H19 AB4C15D19 -152.65 2.07 -9.16 -0.82 0
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413737 135086687 1 OPH19C21 ABC19D21 12.81 5.21 -9.04 -0.11 0
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413738 135086688 1 SO2C19H22 AB2C19D22 -44.1 6.4 -9.56 -0.19 0
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413739 135086689 1 SO2C16H16 AB2C16D16 -30.19 6.83 -9.25 -0.48 0
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413740 135086690 1 NO2C13H17 AB2C13D17 -27.47 4.2 -9.1 0.06 0
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413741 135086691 2 NOC7H7 ABC7D7 -4.0 3.57 -9.14 -0.68 0
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413742 135086692 1 PO2C17H25 AB2C17D25 -106.89 1.04 -8.78 0.09 0
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413743 135086693 1 PO2C17H27 AB2C17D27 -131.75 1.16 -9.06 0.11 0
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413744 135086694 3 OC5H6 AB5C6 -120.42 3.97 -9.17 0.28 0
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413745 135086695 1 ClO3H11C12 AB3C11D12 -95.16 2.21 -9.53 -1.0 0
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413746 135086696 1 BrSN2O2H17C19 ABC2D2E17F19 -18.52 4.55 -8.66 -0.69 0
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413747 135086697 1 ClNO2H16C17 ABC2D16E17 -34.12 4.23 -9.55 -0.29 0
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413748 135086698 1 NO3C18H19 AB3C18D19 -66.88 2.71 -8.84 -0.27 0
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413749 135086699 1 NO2C18H19 AB2C18D19 -35.61 2.46 -9.22 -0.07 0
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413750 135086700 1 NO2C18H19 AB2C18D19 -35.11 4.07 -9.28 -0.15 0
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413751 135086701 1 NF3H12C18 AB3C12D18 -70.61 4.25 -8.9 -1.06 0
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413752 135086702 1 NF3H12C18 AB3C12D18 -71.51 4.76 -9.09 -1.09 0
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413753 135086703 1 BrO3C13H13 AB3C13D13 -93.63 4.14 -9.58 -0.45 0
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413754 135086704 1 BrSN2O2H19C20 ABC2D2E19F20 -25.31 9.28 -9.15 -0.6 0
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413755 135086705 1 NOF3H14C20 ABC3D14E20 -120.36 3.98 -9.01 -1.04 0
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413756 135086706 2 O2C8H9 A2B8C9 -109.69 2.11 -9.54 -0.22 0
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413757 135086707 1 O4C17H20 A4B17C20 -103.63 4.02 -9.37 -0.26 0
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413758 135086708 1 NF3O5C16H18 AB3C5D16E18 -365.99 0.33 -10.24 -1.24 0
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413759 135086709 1 N3O4C16H21 A3B4C16D21 -123.85 1.83 -9.62 -0.51 1
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413760 135086710 1 N3O4C16H22 A3B4C16D22 -113.11 3.34 0.0 0.0 0
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413761 135086711 1 N3O4C17H23 A3B4C17D23 -134.07 2.34 -9.4 -0.45 1
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413762 135086712 1 N3O4C17H24 A3B4C17D24 -130.46 4.26 0.0 0.0 0
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413763 135086713 1 O4C17H20 A4B17C20 -114.09 5.87 -9.5 -0.15 0