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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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216698 85086632 1 NO4C16H23 AB4C16D23 -169.57 3.28 -9.6 0.08 0
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216699 85086634 1 ON3C18H19 AB3C18D19 30.8 3.51 -8.56 -0.72 0
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216700 85086635 1 NO3C17H27 AB3C17D27 -177.73 5.86 -9.4 0.74 0
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216701 85086636 1 NSO2C16H23 ABC2D16E23 -72.64 1.84 -8.2 -0.19 0
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216702 85086638 1 N4O5C12H14 A4B5C12D14 -85.11 2.42 -9.42 -2.08 0
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216703 85086639 1 N4O5C12H16 A4B5C12D16 -182.81 5.15 -9.74 -0.25 0
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216704 85086642 1 O5C16H22 A5B16C22 -220.86 2.48 -9.85 -0.09 0
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216705 85086643 1 O5C16H22 A5B16C22 -214.23 5.66 -9.41 -0.49 0
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216706 85086644 1 O3H18C19 A3B18C19 -15.85 2.27 -8.33 -0.21 0
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216707 85086651 1 OSN2H16C17 ABC2D16E17 28.18 7.64 -8.9 -1.58 0
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216708 85086652 1 O4C17H26 A4B17C26 -180.51 3.43 -9.29 0.39 0
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216709 85086653 2 OC10H11 AB10C11 -50.08 4.88 -8.95 -0.33 0
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216710 85086654 1 N2O3C16H26 A2B3C16D26 -113.3 2.98 -9.65 0.74 0
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216711 85086655 1 FON2C17H27 ABC2D17E27 -56.08 3.6 -9.1 0.05 0
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216712 85086657 3 OC6H10 AB6C10 -161.89 5.37 -9.45 0.35 0
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216713 85086658 3 OC6H10 AB6C10 -133.24 4.35 -8.49 0.24 0
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216714 85086660 1 INO2C9H14 ABC2D9E14 -64.81 2.96 -9.39 -0.69 0
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216715 85086661 1 NSF3O3C11H12 ABC3D3E11F12 -268.16 8.19 -9.91 -0.39 0
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216716 85086665 1 NSiO5C13H17 ABC5D13E17 -109.53 5.97 -9.65 -1.92 0
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216717 85086666 1 NO4C16H25 AB4C16D25 -154.03 7.25 -9.54 0.57 0
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216718 85086667 1 NO2C19H21 AB2C19D21 -50.91 3.23 -9.43 -0.54 0
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216719 85086668 1 NO2C19H21 AB2C19D21 -42.73 1.79 -9.16 0.19 0
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216720 85086669 1 ClNSO4C11H18 ABCD4E11F18 -99.94 2.99 -8.16 -2.37 0
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216721 85086670 1 ClNSO4C11H20 ABCD4E11F20 -199.73 3.17 -10.03 -1.62 0
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216722 85086671 1 BrON3C12H14 ABC3D12E14 16.61 5.38 -9.54 -2.02 0
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216723 85086672 1 BrNOC14H18 ABCD14E18 -39.81 2.35 -8.82 -0.3 0
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216724 85086674 1 N2O6C13H18 A2B6C13D18 -256.02 4.29 -10.26 -0.69 0
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216725 85086675 1 LiSN2O2C15H19 ABC2D2E15F19 -57.34 14.58 -6.32 0.01 0
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216726 85086676 1 SN2O2C15H20 AB2C2D15E20 -68.6 7.02 -8.91 -0.61 0
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216727 85086677 1 N2O5C14H20 A2B5C14D20 -170.34 6.13 -8.94 -1.16 0
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216728 85086683 1 O3C19H20 A3B19C20 -70.02 1.24 -8.55 0.22 0
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216729 85086684 1 O3C19H20 A3B19C20 -82.15 1.68 -9.5 -0.54 0
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216730 85086685 1 N2O4C15H24 A2B4C15D24 -107.12 1.09 -8.86 -0.09 0
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216731 85086686 2 NOC9H10 ABC9D10 -23.13 1.07 -8.38 -0.42 0
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216732 85086687 2 NOC9H10 ABC9D10 53.61 7.19 -8.56 -0.61 0
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216733 85086693 1 NO4H15C17 AB4C15D17 -99.62 1.84 -9.64 -0.95 0
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216734 85086694 1 NO4H15C17 AB4C15D17 -84.72 3.44 -8.8 -0.58 0
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216735 85086697 1 OSN3H15C16 ABC3D15E16 55.71 6.55 -9.3 -1.87 0
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216736 85086698 1 OSN3H15C16 ABC3D15E16 37.72 4.68 -9.35 -1.58 0
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216737 85086699 1 NO2C19H23 AB2C19D23 -6.32 1.63 -8.03 -0.18 1
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216738 85086704 1 ClNF3C12H12 ABC3D12E12 -128.24 6.24 0.0 0.0 0
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216739 85086705 1 N4O6C11H14 A4B6C11D14 -170.12 3.46 -10.16 -1.22 0
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216740 85086707 1 O6C15H22 A6B15C22 -195.89 1.77 -9.13 0.25 0
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216741 85086711 1 O3C19H22 A3B19C22 -46.2 4.25 -9.3 0.28 0
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216742 85086712 1 ON4C17H26 AB4C17D26 -28.0 3.36 -8.66 0.11 0
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216743 85086713 1 SiO2C18H22 AB2C18D22 -88.53 5.61 -9.03 -0.04 0
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216744 85086714 1 OC21H30 AB21C30 -56.78 1.14 -9.44 0.29 0
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216745 85086715 1 SiO2C17H34 AB2C17D34 -193.44 4.03 -8.69 0.69 0
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216746 85086716 1 ClO4C15H19 AB4C15D19 -171.63 5.64 -10.18 -0.53 0
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216747 85086717 1 NOC5F11 ABC5D11 -548.16 0.53 -11.98 -1.4 0
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216748 85086720 1 SO4N5C10H13 AB4C5D10E13 -110.68 5.38 -8.94 -0.53 0
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216749 85086721 1 NO4C17H17 AB4C17D17 -145.66 3.37 -9.31 -0.79 0
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216750 85086722 1 BrSiC14H23 ABC14D23 -7.6 2.09 -9.88 0.0 0
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216751 85086723 1 N3O3C16H17 A3B3C16D17 -79.96 10.37 -8.82 -1.18 1
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216752 85086724 1 O2N5C15H16 A2B5C15D16 8.97 5.86 0.0 0.0 0
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216753 85086725 1 NS2O6C9H17 AB2C6D9E17 -265.13 4.29 -8.84 -0.03 0
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216754 85086726 1 NSO2C17H17 ABC2D17E17 37.34 4.93 -9.07 -1.05 0
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216755 85086727 1 NSO2C17H17 ABC2D17E17 -17.57 2.0 -8.24 -0.41 0
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216756 85086728 1 NO4C16H29 AB4C16D29 -223.18 3.68 -10.13 0.25 0
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216757 85086729 1 NO4C16H29 AB4C16D29 -227.96 2.38 -9.8 0.11 0
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216758 85086730 1 NO2C19H25 AB2C19D25 -48.35 0.48 -8.9 -0.39 0
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216759 85086731 1 NO2C19H25 AB2C19D25 -67.18 4.01 -9.95 -0.48 0
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216760 85086732 1 NO3C17H33 AB3C17D33 -193.8 3.51 -9.58 0.78 0
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216761 85086734 1 NOC20H29 ABC20D29 -20.33 2.16 -8.65 0.26 0
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216762 85086739 1 N2O5H12C15 A2B5C12D15 -69.15 3.56 -9.36 -2.24 0
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216763 85086740 2 ON3C7H10 AB3C7D10 23.64 2.03 -8.99 -0.12 0
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216764 85086741 1 FN2O2C17H17 AB2C2D17E17 -65.44 2.54 -8.65 -0.71 0
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216765 85086742 1 FON4C16H17 ABC4D16E17 -9.86 2.79 -9.22 -0.72 0
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216766 85086743 3 O2C5H8 A2B5C8 -275.86 7.88 -10.86 -0.71 0
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216767 85086744 2 O2C9H10 A2B9C10 -103.8 5.52 -9.45 -0.68 0
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216768 85086746 2 O2C9H10 A2B9C10 -111.37 4.88 -9.61 -1.07 0
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216769 85086747 1 N2O3C17H20 A2B3C17D20 -68.25 2.87 -8.37 -0.13 0
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216770 85086748 1 N4O4C13H26 A4B4C13D26 -182.66 5.2 -9.4 0.05 0
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216771 85086749 2 ON2C8H10 AB2C8D10 71.69 8.96 -8.31 -0.94 0
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216772 85086751 1 O5C16H28 A5B16C28 -251.75 4.99 -9.51 1.12 0