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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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51782 12014521 1 NO4H25C27 AB4C25D27 -58.76 2.83 -8.96 -0.88 0
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51783 12014523 1 O3C16H18 A3B16C18 -94.99 2.19 -10.03 -0.79 0
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51784 12014524 1 O3H14C17 A3B14C17 -47.57 2.05 -9.68 -0.88 0
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51785 12014525 3 NOC2H3 ABC2D3 -52.15 5.16 -10.15 -0.65 0
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51786 12014527 1 N3O10C16H21 A3B10C16D21 -390.62 4.02 -10.29 -0.42 0
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51787 12014528 2 NO2C3H7 AB2C3D7 -192.8 1.65 -9.92 1.48 0
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51788 12014529 3 NOC2H3 ABC2D3 -51.73 3.85 -9.94 -0.18 0
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51789 12014530 1 NO2C27H37 AB2C27D37 -93.32 2.21 -8.55 0.41 0
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51790 12014531 1 NO2C7H13 AB2C7D13 -106.43 4.72 -9.57 0.44 0
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51791 12014532 1 O2N3H19C23 A2B3C19D23 72.37 4.65 -9.15 -0.45 0
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51792 12014534 1 O3C15H16 A3B15C16 -106.24 2.44 -8.74 -0.3 0
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51793 12014535 6 OC3H3 AB3C3 -217.14 4.52 -8.68 -0.71 0
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51794 12014536 1 NCl2O3H9C12 AB2C3D9E12 -69.55 2.88 -9.98 -0.92 0
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51795 12014539 1 O3H18C19 A3B18C19 -82.4 1.99 -8.99 -0.96 0
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51796 12014540 4 OC6H8 AB6C8 -173.21 4.38 -8.78 -0.66 0
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51797 12014542 1 O3C19H30 A3B19C30 -177.14 2.74 -9.97 0.58 0
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51798 12014545 2 O2C13H18 A2B13C18 -187.47 5.14 -8.7 0.25 0
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51799 12014546 4 OH7C8 AB7C8 -37.19 1.76 -9.69 -0.21 0
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51800 12014547 4 OH7C8 AB7C8 -37.24 1.8 -9.69 -0.22 0
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51801 12014548 4 OH7C8 AB7C8 -37.24 1.8 -9.69 -0.22 0
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51802 12014549 4 OC8H8 AB8C8 -43.49 3.06 -9.3 0.09 0
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51803 12014551 1 BrCrSiO6C21H34 ABCD6E21F34 -174.74 3.51 0.0 0.0 0
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51804 12014552 1 CrSiCl2O6C21H33 ABC2D6E21F33 -15.92 8.95 0.0 0.0 0
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51805 12014553 1 SiCl2O3C18H30 AB2C3D18E30 -197.23 2.68 -8.86 -0.63 0
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51806 12014555 2 N3O4H11C15 A3B4C11D15 -18.03 10.19 -9.55 -1.63 0
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51807 12014556 2 N4O6H10C15 A4B6C10D15 -4.68 13.88 -10.11 -2.42 0
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51808 12014558 2 ClN2O2H11C15 AB2C2D11E15 -25.35 8.19 -9.07 -0.97 0
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51809 12014559 4 NOH7C8 ABC7D8 -19.53 7.65 -8.87 -0.62 0
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51810 12014560 2 N2O3H14C16 A2B3C14D16 -65.4 6.75 -8.67 -0.65 0
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51811 12014561 2 BrN2O3H13C16 AB2C3D13E16 -59.08 6.99 -8.98 -0.88 0
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51812 12014562 2 ClN2O3H13C16 AB2C3D13E16 -82.7 6.67 -8.95 -0.85 0
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51813 12014563 2 N2O3H16C17 A2B3C16D17 -100.35 7.66 -8.47 -0.73 0
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51814 12014565 2 BrN2O2H13C16 AB2C2D13E16 122.8 6.15 -9.07 -0.88 0
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51815 12014566 2 ClN2O2H13C16 AB2C2D13E16 99.11 7.15 -8.99 -0.8 0
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51816 12014567 2 N2O2H16C17 A2B2C16D17 -42.0 7.45 -8.52 -0.55 0
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51817 12014568 2 N2O3H14C16 A2B3C14D16 -70.45 5.4 -8.72 -0.46 0
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51818 12014569 2 BrN2O3H13C16 AB2C3D13E16 -81.99 10.75 -8.97 -0.77 0
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51819 12014570 2 ClN2O3H13C16 AB2C3D13E16 -101.65 9.75 -8.96 -0.74 0
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51820 12014571 2 N2O3H16C17 A2B3C16D17 -110.24 9.14 -8.61 -0.48 0
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51821 12014572 2 FN2O2H11C15 AB2C2D11E15 -76.58 3.4 -9.07 -0.94 0
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51822 12014573 2 N2O3H14C16 A2B3C14D16 -74.41 4.68 -8.64 -0.61 2
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51823 12014574 2 NOPC13H13 ABCD13E13 -14.55 7.54 -6.44 -1.05 0
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51824 12014575 2 OPSN2C17H21 ABCD2E17F21 -144.27 0.69 -8.51 -0.29 0
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51825 12014576 1 NP2Br4C13H13 AB2C4D13E13 -50.72 9.01 -9.04 -0.52 0
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51826 12014578 2 O2H14C17 A2B14C17 -56.1 3.81 -9.16 -0.96 0
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51827 12014579 2 O2H10C15 A2B10C15 -27.13 6.09 -8.91 -1.17 0
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51828 12014580 2 O2H14C17 A2B14C17 -66.3 6.33 -8.87 -0.91 0
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51829 12014581 1 O2H12C17 A2B12C17 5.52 5.84 -9.21 -1.32 0
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51830 12014582 2 OH7C9 AB7C9 -4.74 6.68 -9.13 -1.18 0
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51831 12014583 1 NO5H19C25 AB5C19D25 -47.51 4.01 -8.65 -1.31 0
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51832 12014584 2 NO3H8C12 AB3C8D12 -11.05 9.0 -9.22 -1.67 0
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51833 12014585 1 N2O5H14C23 A2B5C14D23 30.47 4.14 -9.47 -1.69 0
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51834 12014587 2 NO3H8C12 AB3C8D12 -11.03 4.69 -8.95 -1.63 0
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51835 12014588 1 N3O7H13C23 A3B7C13D23 26.89 9.77 -10.18 -1.94 0
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51836 12014589 1 ClSO3N5H14C20 ABC3D5E14F20 -48.1 6.67 -8.86 -1.2 0
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51837 12014590 1 FSO3N5H14C20 ABC3D5E14F20 -85.9 6.58 -8.84 -1.18 0
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51838 12014591 1 FO3N4H7C14 AB3C4D7E14 -95.34 5.5 -10.09 -1.72 0
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51839 12014592 1 SO11C58H78 AB11C58D78 -454.13 7.24 -8.11 0.0 0
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51840 12014593 1 SO11C58H78 AB11C58D78 -468.82 4.35 -8.03 -0.08 0
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51841 12014594 8 OC6H8 AB6C8 -336.77 4.91 -8.19 0.21 0
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51842 12014595 8 OC6H8 AB6C8 -345.15 2.23 -8.17 0.25 0
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51843 12014597 8 OC8H12 AB8C12 -306.47 4.92 -7.74 0.28 0
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51844 12014598 8 OC8H12 AB8C12 -397.91 2.57 -8.06 -0.16 0
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51846 12014600 4 O2C23H38 A2B23C38 -525.61 3.53 -7.8 0.36 0
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51847 12014601 2 ON3H10C15 AB3C10D15 174.18 7.67 -8.53 -2.08 0
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51848 12014602 1 ON4H12C15 AB4C12D15 94.33 5.73 -8.64 -1.58 0
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51849 12014603 1 ON4H18C22 AB4C18D22 111.8 6.21 -8.54 -1.55 0
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51850 12014604 1 O5N6H14C21 A5B6C14D21 114.62 4.77 -9.22 -2.3 0
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51851 12014605 1 BiSO3H30C32 ABC3D30E32 103.56 2.01 0.0 0.0 0
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51852 12014606 1 BiSO3H28C31 ABC3D28E31 93.48 5.77 0.0 0.0 0
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51853 12014609 1 N2P2O4S4C25H26 A2B2C4D4E25F26 -219.6 11.51 -8.68 -0.93 0
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51854 12014610 2 NOPS3C12H12 ABCD3E12F12 -100.52 14.25 -8.69 -1.85 0
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51855 12014612 1 O2P2N3S5H29C30 A2B2C3D5E29F30 -90.73 3.57 -8.56 -1.1 0
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51856 12014613 1 O2P2N3S5C31H31 A2B2C3D5E31F31 -80.96 9.74 -8.45 -1.01 0
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51857 12014615 1 BrNO3C17H20 ABC3D17E20 -70.42 4.35 -8.54 -0.28 0
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51858 12014617 1 BrNO4H16C17 ABC4D16E17 -106.72 4.15 -8.92 -0.68 0
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51859 12014619 1 KSSeO6C23H39 ABCD6E23F39 -239.22 9.33 -7.72 -0.49 0
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51860 12014620 1 KSSeO6C20H31 ABCD6E20F31 -234.49 22.87 -6.65 -0.6 0
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51862 12014622 1 SSeH7C8 ABC7D8 75.87 3.19 0.0 0.0 0
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51863 12014623 1 RbSSeO6C20H31 ABCD6E20F31 -244.9 15.22 -7.16 0.04 0
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51864 12014624 1 CsSSeO6C20H31 ABCD6E20F31 -265.0 8.59 -7.82 -0.66 0
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51869 12014629 1 FC6H11 AB6C11 -56.45 1.48 -10.11 0.93 0
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51870 12014630 1 SO6H18C26 AB6C18D26 -138.08 2.02 -9.9 -1.51 0
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51871 12014631 1 SO8H16C21 AB8C16D21 -251.16 5.79 -9.79 -1.57 0
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51872 12014632 1 NSO6H11C19 ABC6D11E19 -125.83 2.95 -9.89 -1.71 0
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51873 12014633 1 NSO7H17C21 ABC7D17E21 -224.58 10.65 -9.87 -1.5 0
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51874 12014634 1 NSO6H15C20 ABC6D15E20 -179.09 4.16 -9.97 -1.62 0
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51875 12014635 1 SO5H10C16 AB5C10D16 -114.52 6.59 -9.94 -1.78 0
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51876 12014636 1 N2O2H14C17 A2B2C14D17 15.98 6.51 -9.09 -1.41 0
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51877 12014637 1 ClN2O2H13C17 AB2C2D13E17 6.4 5.98 -9.15 -1.59 0
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51878 12014638 2 NOH8C9 ABC8D9 5.46 6.87 -9.05 -1.37 0
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51879 12014639 1 BrN2O2H15C17 AB2C2D15E17 -9.53 6.62 -9.24 -1.26 0
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51880 12014640 1 BrClN2O2H14C17 ABC2D2E14F17 -18.64 8.01 -9.31 -1.47 0
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51881 12014641 1 BrN2O2H17C18 AB2C2D17E18 -20.19 6.74 -9.2 -1.16 0
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51882 12014642 1 N5H13C16 A5B13C16 143.97 1.3 -8.49 -0.86 0
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51883 12014643 1 SnN4C20H34 AB4C20D34 46.66 4.32 -8.78 -0.13 0
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51884 12014644 1 S2O3N5C14H15 A2B3C5D14E15 -55.28 5.85 -8.74 -1.5 0
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51885 12014645 1 N2O4F6C17H22 A2B4C6D17E22 -467.42 2.57 -9.78 -0.57 0
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51886 12014646 1 Si2O4C15H30 A2B4C15D30 -250.08 6.26 -8.66 0.36 0
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51887 12014647 1 Si2O4C15H30 A2B4C15D30 -253.12 0.93 -8.54 0.33 0