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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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393736 135021576 1 O2N3C11H11 A2B3C11D11 25.87 5.27 -10.1 -1.73 0
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393737 135021577 2 NOC10H13 ABC10D13 42.54 5.59 -8.27 0.34 0
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393738 135021578 1 O3C14H24 A3B14C24 -156.57 4.19 -9.72 1.69 0
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393739 135021585 1 SO2C18H18 AB2C18D18 6.69 5.95 -9.7 -0.91 0
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393740 135021586 1 NO4H23C26 AB4C23D26 -19.0 7.03 -9.65 -0.71 0
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393741 135021587 1 NSO3C21H23 ABC3D21E23 -50.08 5.8 -9.12 -0.43 0
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393742 135021588 1 NSO3C16H21 ABC3D16E21 -77.26 4.14 -9.39 -0.38 0
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393743 135021589 1 NO3H17C19 AB3C17D19 -19.09 5.88 -8.78 -0.26 0
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393744 135021590 1 O3H16C18 A3B16C18 24.73 2.71 -8.02 -0.43 0
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393745 135021591 1 O5C24H26 A5B24C26 -85.68 4.09 -8.31 -0.52 0
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393746 135021592 1 O5C24H26 A5B24C26 -94.69 3.36 -7.57 -1.49 0
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393747 135021593 1 O5C24H26 A5B24C26 -135.53 1.48 -8.22 -0.26 0
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393748 135021594 2 O2H9C10 A2B9C10 67.81 4.0 -8.29 -0.79 0
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393749 135021595 1 O5H26C30 A5B26C30 -15.04 3.7 -8.02 -0.52 0
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393750 135021598 1 O2C21H30 A2B21C30 -82.25 2.42 -9.2 -0.18 0
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393751 135021599 1 O2C21H28 A2B21C28 -66.15 2.6 -9.27 -0.91 -1
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393752 135021600 1 YO3H5C10 AB3C5D10 -7.66 11.18 -7.19 -2.17 0
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393753 135021601 1 BrMgN4H7C8 ABC4D7E8 132.54 11.36 -9.18 -1.12 0
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393754 135021602 1 FSiO3C18H27 ABC3D18E27 -215.55 2.49 -9.3 -0.17 0
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393755 135021603 1 NO7H25C29 AB7C25D29 -218.89 15.73 -8.66 -1.13 0
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393756 135021604 1 NO8C33H33 AB8C33D33 -277.79 12.73 -8.56 -1.21 0
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393757 135021637 2 NSiO3C11H21 ABC3D11E21 -312.14 3.09 -8.79 -0.99 1
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393758 135021638 1 N2Si2O6C22H43 A2B2C6D22E43 -304.17 1.16 0.0 0.0 0
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393759 135021639 1 SO3H12C16 AB3C12D16 -68.45 2.43 -8.59 -1.14 0
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393761 135021646 1 NO3C16H23 AB3C16D23 -135.66 1.6 -10.29 0.14 0
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393766 135021657 1 N2O3C17H32 A2B3C17D32 -129.51 4.56 -7.98 1.28 0
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393767 135021658 1 N3O3H13C17 A3B3C13D17 -12.61 5.62 -9.02 -1.63 0
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393768 135021666 1 SN2O2H16C24 AB2C2D16E24 157.92 6.67 -9.41 -0.98 0
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393769 135021667 1 SO2C9H10 AB2C9D10 43.5 10.42 -7.77 -3.46 0
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393770 135021668 1 SN2C14H20 AB2C14D20 24.59 2.0 -8.62 -0.13 0
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393771 135021669 1 KN4H7C8 AB4C7D8 69.68 11.06 -8.49 -0.35 0
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393772 135021670 1 NO3C7H9 AB3C7D9 -104.82 5.41 -10.31 0.47 0
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393773 135021671 1 NSiC22H29 ABC22D29 43.43 2.33 -8.95 -0.42 0
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393774 135021672 1 SiN2C25H32 AB2C25D32 49.14 3.35 -8.75 -0.52 0
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393776 135021674 1 O3C13H16 A3B13C16 -114.46 3.56 -8.94 -0.59 0
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393777 135021675 1 S2O5C18H24 A2B5C18D24 -194.64 5.57 -9.03 -0.78 0
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393778 135021676 1 O2N3C27H27 A2B3C27D27 -6.71 2.8 -8.98 -0.84 0
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393779 135021677 1 SO2N3H31C33 AB2C3D31E33 31.11 3.38 -8.96 -0.83 0
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393780 135021678 1 NOC14H17 ABC14D17 -27.65 3.3 -9.49 -0.3 0
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393781 135021679 1 NOC4H6 ABC4D6 19.91 4.05 0.0 0.0 -1
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393782 135021680 1 ON4C17H19 AB4C17D19 64.14 6.19 0.0 0.0 0
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393783 135021681 1 ON4C17H20 AB4C17D20 48.63 2.34 -8.81 0.1 -1
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393784 135021682 1 ON4C16H17 AB4C16D17 73.35 3.15 0.0 0.0 0
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393785 135021683 1 ON4C16H18 AB4C16D18 56.11 3.2 -8.59 0.15 0
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393786 135021684 2 NOH7C8 ABC7D8 10.22 5.12 -9.54 -1.16 0
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393787 135021685 2 NOC8H8 ABC8D8 -2.42 2.93 -9.63 -0.86 0
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393788 135021686 1 BrO2N3H14C16 AB2C3D14E16 -27.29 6.2 -9.32 -1.1 0
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393789 135021687 1 NO2C13H16 AB2C13D16 -28.47 4.77 0.0 0.0 -1
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393790 135021688 1 O2N3C16H16 A2B3C16D16 28.43 4.55 0.0 0.0 0
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393791 135021689 1 O2N3C16H17 A2B3C16D17 8.85 1.26 -9.35 0.03 0
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393792 135021691 1 NOC14H23 ABC14D23 -64.82 3.6 -8.02 1.55 0
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393793 135021705 1 O13C44H82 A13B44C82 -727.07 6.37 -10.24 0.15 0
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393794 135021706 3 OC5H8 AB5C8 -165.24 4.5 -9.59 0.85 0
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393795 135021707 1 O3C16H28 A3B16C28 -185.64 2.87 -9.56 1.65 0
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393796 135021708 1 O7C12H14 A7B12C14 -243.69 1.4 -10.26 -1.1 0
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393797 135021709 1 NSO8C18H25 ABC8D18E25 -333.86 2.77 -8.88 -0.5 0
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393798 135021710 2 N2O3C9H13 A2B3C9D13 -193.12 4.69 -8.87 -0.31 0
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393799 135021711 1 N4O5C13H22 A4B5C13D22 -179.47 4.01 -9.88 -0.43 0
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393800 135021715 1 O2N6C17H24 A2B6C17D24 68.73 4.49 -9.95 -0.99 0
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393801 135021716 1 N6C17H22 A6B17C22 107.81 5.4 -9.02 -0.97 0
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393802 135021717 1 O5C21H38 A5B21C38 -281.32 2.06 -10.23 -0.36 0
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393803 135021718 2 NO3H12C13 AB3C12D13 -175.11 5.22 -8.75 -0.61 0
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393804 135021719 2 NO4C16H16 AB4C16D16 -250.89 4.74 -8.66 -0.42 0
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393805 135021720 1 O2H14C17 A2B14C17 -18.62 3.15 -9.64 -0.85 0
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393808 135021723 1 O2C19H22 A2B19C22 -49.75 3.65 -8.85 0.19 0
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393809 135021724 1 O2C19H22 A2B19C22 -51.97 2.84 -8.74 0.13 0
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393810 135021725 2 OC9H11 AB9C11 -67.67 1.49 -8.65 -0.58 0
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393811 135021726 1 OCl2N3H7C9 AB2C3D7E9 29.13 2.54 -9.76 -0.84 0
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393812 135021727 1 NSO5C14H19 ABC5D14E19 -186.63 1.3 -9.48 -0.23 0
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393813 135021728 2 NO2C11H12 AB2C11D12 -142.19 2.14 -8.55 -0.58 0
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393814 135021763 2 ON3C12H14 AB3C12D14 68.84 5.99 -9.66 -0.43 0
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393815 135021764 1 NO2H13C18 AB2C13D18 4.8 5.18 -8.6 -1.47 0
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393816 135021766 2 NO3C11H13 AB3C11D13 -224.99 2.42 -9.67 -0.14 0
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393817 135021769 1 SO4C23H26 AB4C23D26 -102.13 5.01 -8.61 -0.55 0
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393818 135021780 1 SiO4C18H32 AB4C18D32 -240.73 3.6 -8.85 0.76 0