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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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18726 547011 1 NO2C13H19 AB2C13D19 -67.24 5.16 -8.75 0.12 0
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18727 547017 1 OSiC7H14 ABC7D14 -84.43 4.04 -9.46 0.95 0
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18728 547019 1 O3C21H44 A3B21C44 -209.01 1.32 -9.47 1.8 0
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18729 547023 1 NO3C7H13 AB3C7D13 -112.28 3.12 -9.4 0.51 0
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18730 547027 1 O2N7C12H21 A2B7C12D21 -83.82 4.73 -9.64 -0.37 0
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18731 547028 1 NO5C25H37 AB5C25D37 -172.92 8.65 -5.42 0.42 0
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18732 547034 1 NC12H23 AB12C23 -6.97 1.49 -8.68 1.4 0
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18733 547038 2 ON3C14H21 AB3C14D21 -16.61 4.48 -8.23 -0.87 0
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18734 547039 1 N2O5C17H28 A2B5C17D28 -229.16 5.41 -8.52 0.16 0
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18735 547040 1 NOC13H19 ABC13D19 -28.65 0.96 -9.44 0.3 0
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18736 547044 1 N2O3C11H24 A2B3C11D24 -165.51 1.39 -8.74 1.02 0
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18737 547046 1 OCl2N4H30C31 AB2C4D30E31 64.15 4.83 -8.64 -0.96 0
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18738 547047 1 ClN3O3C27H28 AB3C3D27E28 -0.73 3.13 -8.24 -0.98 0
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18739 547050 1 NC9H19 AB9C19 -4.84 1.72 -8.54 1.58 0
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18740 547059 2 O2C3H7 A2B3C7 -182.77 0.18 -9.97 1.07 0
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18741 547103 1 O3C11H22 A3B11C22 -166.31 3.26 -9.9 0.94 0
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18742 547107 1 NOC10H21 ABC10D21 -101.32 3.71 -9.66 1.46 0
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18743 547188 1 OCl3N3C24H24 AB3C3D24E24 -2.73 5.87 -8.4 -0.96 0
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18744 547197 1 ClN3O3C25H28 AB3C3D25E28 -27.32 8.35 -8.4 -1.14 0
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18745 547198 1 OCl3N3C24H24 AB3C3D24E24 -4.46 3.51 -8.48 -0.84 0
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18746 547240 1 ClN3O4C28H30 AB3C4D28E30 -39.92 3.0 -8.29 -0.95 0
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18747 547244 1 NOSiC13H23 ABCD13E23 -88.42 1.71 -8.95 0.06 0
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18748 547315 1 ON2C8H20 AB2C8D20 -52.45 1.93 -8.51 2.47 0
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18749 547337 1 NO2C16H29 AB2C16D29 -108.85 0.55 -8.54 1.45 0
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18750 547340 1 NOC17H25 ABC17D25 -36.13 3.57 -9.07 0.38 0
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18751 547366 1 NO3C7H13 AB3C7D13 -152.77 4.09 -10.14 0.46 0
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18752 547387 1 ON3C6H13 AB3C6D13 -35.63 4.02 -9.45 0.33 0
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18753 547415 3 OC3H6 AB3C6 -146.25 1.94 -9.7 2.05 0
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18754 547422 2 NC5H11 AB5C11 -34.31 2.45 -8.7 2.94 0
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18755 547423 1 NOC13H19 ABC13D19 -41.72 3.87 -9.22 0.23 0
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18756 547427 1 ON2C24H30 AB2C24D30 2.66 1.61 -8.45 -0.79 0
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18757 547438 1 NiSN2O4C16H26 ABC2D4E16F26 10.36 5.66 -7.52 -3.63 0
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18758 547441 2 SO2H3N3C5 AB2C3D3E5 62.19 3.05 -9.52 -1.59 0
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18759 547462 1 SN2O2C13H14 AB2C2D13E14 -36.9 1.51 -9.1 -0.9 0
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18760 547494 1 NSH7C9 ABC7D9 61.54 1.39 -9.18 -0.95 0
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18761 547496 1 NO3C13H17 AB3C13D17 -106.19 4.52 -8.63 0.01 0
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18762 547500 1 NSO2C15H17 ABC2D15E17 -49.28 4.51 -8.46 -0.1 0
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18763 547502 1 NC16H17 AB16C17 37.94 1.96 -8.65 -0.24 0
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18764 547505 1 O3F4H5N5C11 A3B4C5D5E11 -90.42 5.75 -9.85 -1.63 0
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18765 547556 1 NPSi2O3C9H26 ABC2D3E9F26 -398.72 3.77 -8.78 0.19 0
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18766 547626 1 MoN2O3C16H29 AB2C3D16E29 -57.13 7.38 0.0 0.0 0
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18767 547629 2 N2C13H16 A2B13C16 80.01 2.7 -7.67 -0.28 0
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18768 547630 1 O3N5C20H29 A3B5C20D29 -76.49 6.96 -8.55 -0.24 0
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18769 547633 2 NOC11H15 ABC11D15 -39.82 2.37 -7.52 0.25 0
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18770 547639 1 OC10H15 AB10C15 -24.46 1.01 0.0 0.0 -3
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18771 547643 1 ClFON3H25C26 ABCD3E25F26 -14.9 6.75 -8.47 -0.72 0
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18773 547709 1 OC9H20 AB9C20 -89.85 1.84 -10.17 2.87 0
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18774 547801 1 O3C7H14 A3B7C14 -123.62 1.42 -9.56 1.08 0
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18775 547830 1 SCl2O4C10H10 AB2C4D10E10 -160.34 3.72 -10.06 -1.25 0
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18776 547991 1 IO2C5H9 AB2C5D9 -88.89 2.66 -9.82 -0.85 0
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18777 547993 1 OC10H20 AB10C20 -70.15 1.85 -9.9 1.09 0
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18778 548131 1 FN2O2C11H11 AB2C2D11E11 -116.81 6.3 -9.51 -0.73 0
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18779 548175 1 NO3S3C22H25 AB3C3D22E25 -15.1 4.16 -8.53 -1.17 0
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18780 548176 1 NO2C23H27 AB2C23D27 -53.41 1.11 -8.47 -0.14 0
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18781 548178 1 O2C27H46 A2B27C46 -177.35 4.28 -9.24 1.37 0
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18782 548179 1 ClN4O4C20H25 AB4C4D20E25 -139.14 6.3 -9.53 -0.82 0
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18783 548200 1 SN2O4C8H14 AB2C4D8E14 -185.15 4.51 -9.56 -0.38 0
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18784 548203 1 O3C6H10 A3B6C10 -121.14 0.9 -8.98 0.44 0
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18785 548204 1 NO4C6H11 AB4C6D11 -186.24 3.96 -10.23 0.06 0
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18786 548235 1 OSC7H14 ABC7D14 -75.66 2.61 -8.66 0.72 0
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18787 548236 1 NOSC11H11 ABCD11E11 3.32 4.36 -9.17 -0.8 0
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18788 548237 1 OSN2C8H8 ABC2D8E8 10.58 3.42 -9.29 -0.69 0
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18789 548247 2 O2C3H6 A2B3C6 -193.18 1.54 -10.31 1.38 0
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18790 548264 1 NO2C12H25 AB2C12D25 -59.43 1.36 -8.76 0.52 0
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18791 548271 1 SO2C8H14 AB2C8D14 -105.02 3.25 -8.98 0.14 0
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18792 548322 2 OSC4H9 ABC4D9 -106.95 4.3 -8.68 0.38 0
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18793 548338 1 N3O5C8H13 A3B5C8D13 -170.21 4.82 -9.61 -0.3 0
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18794 548368 1 SO2C6H10 AB2C6D10 -81.99 2.12 -9.34 -0.17 0
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18795 548378 1 S2O3C11H14 A2B3C11D14 -94.58 1.3 -8.99 -0.74 0
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18796 548379 1 SO4C7H12 AB4C7D12 -185.27 4.68 -9.36 -0.38 0
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18797 548380 1 BClC6H14 ABC6D14 -73.67 1.83 -10.09 0.23 0
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18798 548381 1 ClO2C5H11 AB2C5D11 -111.22 2.09 -10.33 0.61 0
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18799 548394 1 SO3C6H14 AB3C6D14 -136.33 2.17 -8.88 0.48 0
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18800 548430 1 NO3H11C20 AB3C11D20 -10.33 2.76 -8.94 -1.79 0
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18801 548480 1 ClBr2N4H13C17 AB2C4D13E17 78.57 3.23 -8.77 -0.88 0
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18802 548484 1 ON4H6C8 AB4C6D8 62.05 2.31 -10.17 -1.41 0
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18803 548495 1 ClON2H4C6 ABC2D4E6 30.54 3.6 0.0 0.0 1
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18804 548497 1 AsS2C3H3F6 AB2C3D3E6 -333.87 4.44 -9.98 -1.86 0
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18805 548500 1 Cl3N5C13H14 A3B5C13D14 81.32 8.27 -9.15 -1.03 0
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18806 548513 1 S2Cl3C4O4H7 A2B3C4D4E7 -159.27 1.97 -10.63 -0.77 0
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18807 548514 1 BrOF3N3H9C13 ABC3D3E9F13 -113.07 6.69 -8.96 -1.23 0
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18808 548515 1 N2O3H6C7 A2B3C6D7 32.89 5.98 -8.78 -1.54 0
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18809 548532 1 NCl2O3H11C16 AB2C3D11E16 -41.15 2.48 -9.22 -1.74 0
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18810 548587 1 SCl2O3N5H13C20 AB2C3D5E13F20 2.83 7.69 -9.56 -2.04 0
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18811 548599 1 ClNC2F3H3 ABC2D3E3 -100.72 2.12 -10.78 -1.15 0
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18812 548600 1 H3C4N5 A3B4C5 134.25 6.85 -10.82 -1.76 0
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18813 548602 1 O2N4H6C7 A2B4C6D7 88.55 6.8 -9.65 -1.29 0
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18814 548605 1 FNO3H10C13 ABC3D10E13 -44.58 6.15 -9.71 -1.29 0
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18815 548643 1 OCl2C6H6 AB2C6D6 -24.56 3.63 -10.32 -0.57 0
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18816 548651 1 N2O2H6C7 A2B2C6D7 8.06 4.16 -9.68 -1.74 0
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18817 548666 1 O5N7C35H35 A5B7C35D35 -56.34 5.75 -9.08 -1.55 0
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18818 548674 1 O3C11H12 A3B11C12 -98.04 5.97 -10.48 -0.24 0
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18819 548675 1 SiCl2C5H6 AB2C5D6 -63.29 2.29 -9.35 -0.34 0
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18820 548677 1 OC11H16 AB11C16 -31.79 1.64 -9.49 1.3 -2
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18821 548678 1 NOC6H7 ABC6D7 -1.22 4.15 -9.92 0.22 0
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18822 548718 1 OC8H12 AB8C12 -40.29 3.39 -9.85 0.62 0
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18823 548720 2 C5H8 A5B8 6.44 0.6 -9.56 1.26 0
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18824 548723 2 OC4H5 AB4C5 -54.31 1.77 -9.84 0.51 0
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18825 548724 1 OC10H14 AB10C14 -3.51 2.27 -9.64 1.02 0
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18826 548732 1 O3C10H12 A3B10C12 -29.71 5.02 -10.0 -0.51 0