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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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19709 570888 1 SC9H12 AB9C12 11.5 1.44 -8.53 0.14 0
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19710 570933 1 NO2C24H29 AB2C24D29 -54.75 5.18 -9.36 -0.02 0
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19711 571036 2 ON2C15H16 AB2C15D16 35.19 3.58 -8.19 -0.52 0
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19712 571045 1 OC13H16 AB13C16 -26.92 2.18 -9.4 0.1 0
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19713 571176 1 NSO2F3H16C19 ABC2D3E16F19 -202.94 2.33 -8.15 -1.04 0
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19715 571236 1 ON2H12C16 AB2C12D16 50.26 3.61 -9.72 -1.07 0
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19716 571246 1 N2F3O3H19C23 A2B3C3D19E23 -198.89 2.6 -8.6 -0.82 0
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19717 571253 1 SN3H13C14 AB3C13D14 79.52 4.59 -8.79 -0.6 0
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19718 571254 1 INSO2H16C17 ABCD2E16F17 -33.36 1.4 -8.54 -1.87 0
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19719 571266 1 ClNO2H12C14 ABC2D12E14 -39.27 6.41 -8.64 -0.56 0
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19720 571295 1 NO3C24H29 AB3C24D29 -84.78 3.71 -9.35 -1.03 0
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19721 571300 1 Br2O2C9H10 A2B2C9D10 -2.67 1.03 -9.8 -0.76 0
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19722 571328 1 N2O3H14C17 A2B3C14D17 -9.72 2.38 -8.5 -0.6 0
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19723 571338 1 NO4C17H17 AB4C17D17 -86.85 3.98 -9.32 -0.45 0
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19724 571355 1 N4O5H24C33 A4B5C24D33 -12.01 2.77 -8.77 -1.56 0
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19725 571359 1 ClO2N7H22C29 AB2C7D22E29 73.39 7.23 -8.49 -0.61 0
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19726 571366 2 BO3C9H9 AB3C9D9 -321.52 0.71 -9.68 -0.2 0
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19727 571411 1 IO3H11C15 AB3C11D15 -41.17 3.17 -9.51 -1.05 0
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19728 571435 12 OH3C4 AB3C4 -300.96 3.53 -9.65 -0.71 0
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19729 571448 1 OS2H20C29 AB2C20D29 80.63 3.12 -8.36 -1.4 0
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19730 571463 1 O9C29H34 A9B29C34 -347.29 4.32 -8.71 -0.97 0
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19731 571464 1 NSO7H29C34 ABC7D29E34 -160.61 7.03 -8.36 -0.97 0
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19732 571503 1 NOSC8H17 ABCD8E17 -51.2 3.07 -9.42 -0.16 0
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19733 571520 2 NOC7H7 ABC7D7 36.56 4.77 -8.58 -1.42 0
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19734 571529 1 ClSN2O3H9C16 ABC2D3E9F16 -37.87 4.08 -9.62 -1.67 0
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19735 571531 1 N5O6H9C13 A5B6C9D13 15.71 3.35 -9.73 -2.09 0
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19736 571629 1 N3O3H11C16 A3B3C11D16 5.97 5.26 -8.72 -1.57 0
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19737 571630 1 N2O2F3H11C14 A2B2C3D11E14 -182.24 7.61 -9.09 -0.89 0
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19738 571713 1 NO3H15C16 AB3C15D16 -84.94 5.44 -9.79 -0.89 0
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19739 571752 1 N2O3H16C17 A2B3C16D17 -81.25 2.1 -8.7 -0.25 0
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19740 571780 1 ON2C15H16 AB2C15D16 -6.78 3.15 -8.57 -0.09 0
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19741 571811 1 O2N3C10H11 A2B3C10D11 -23.15 6.48 -9.15 -1.14 0
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19742 571814 1 NO2C11H15 AB2C11D15 -81.77 5.67 -9.74 -0.18 0
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19743 571815 1 NO2C9H9 AB2C9D9 -21.36 3.14 -9.41 -0.13 0
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19744 571818 2 OC5H5 AB5C5 -68.75 3.05 -9.08 -0.66 0
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19745 571837 1 N2O2C9H12 A2B2C9D12 -64.36 3.65 -8.49 0.37 0
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19746 571843 1 NOC14H19 ABC14D19 -39.08 2.12 -9.28 0.33 0
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19747 571845 1 N2O2C25H26 A2B2C25D26 -23.08 2.14 -8.93 -0.56 0
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19748 571895 1 O2N3C16H17 A2B3C16D17 -24.33 4.55 -9.12 -0.32 0
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19749 571910 1 BrNSO2H12C13 ABCD2E12F13 -30.47 3.33 -9.24 -1.06 0
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19750 571943 1 ClO2C6H13 AB2C6D13 -119.96 1.86 -10.24 0.63 0
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19751 571956 1 OC12H20 AB12C20 -58.12 3.44 -9.07 0.74 0
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19752 571957 2 NO2C6H7 AB2C6D7 -158.38 2.81 -9.16 -0.15 0
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19753 571959 1 NO2C11H15 AB2C11D15 -18.36 3.13 -9.09 -0.49 0
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19754 571989 1 SN4C10H14 AB4C10D14 72.15 3.13 -9.01 -0.78 0
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19755 571990 1 SN4C10H14 AB4C10D14 74.58 2.56 -9.15 -0.74 0
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19756 571991 1 SN4C10H14 AB4C10D14 75.09 1.01 -8.97 -0.8 0
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19757 572000 1 PSO2C7H17 ABC2D7E17 -174.69 3.96 -9.43 0.06 0
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19758 572042 1 SN2O2C6H6 AB2C2D6E6 23.48 4.43 -9.02 -1.64 0
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19759 572083 1 OC16H22 AB16C22 -31.53 2.34 -9.32 0.4 0
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19760 572084 1 OC9H16 AB9C16 -70.97 2.56 -8.98 1.44 0
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19761 572085 1 NO3C13H13 AB3C13D13 -82.53 4.29 -9.67 -0.45 0
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19762 572099 1 N5O7H9C13 A5B7C9D13 39.66 5.5 -10.34 -1.99 0
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19763 572107 2 NOC12H14 ABC12D14 -13.47 0.82 -8.99 -0.06 0
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19764 572109 1 N3O4C14H17 A3B4C14D17 -160.81 7.32 -9.4 -0.4 0
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19765 572158 2 NC4H6 AB4C6 25.74 1.44 -8.77 0.08 0
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19766 572234 2 NC9H10 AB9C10 54.09 3.74 -8.64 0.06 0
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19767 572252 2 NC3H4 AB3C4 41.78 4.18 -9.26 0.62 0
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19768 572368 1 N5O7C22H25 A5B7C22D25 -88.02 8.23 -9.14 -2.2 0
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19769 572384 1 O2C21H32 A2B21C32 -121.43 1.5 -8.89 0.23 0
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19770 572396 1 ON2H16C19 AB2C16D19 77.06 2.05 -8.64 -1.01 0
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19771 572400 1 NF3O3C17H18 AB3C3D17E18 -281.61 1.04 -9.52 -0.72 0
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19772 572401 1 NO4H9C11 AB4C9D11 -124.48 1.6 -9.71 -0.61 0
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19773 572410 1 FON2H6C8 ABC2D6E8 3.09 4.14 0.0 0.0 1
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19774 572433 1 SO2N3H15C16 AB2C3D15E16 -25.97 3.44 -8.92 -1.52 0
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19775 572474 1 ON4C11H12 AB4C11D12 7.17 3.32 -8.7 -0.38 0
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19776 572490 1 NO2C15H21 AB2C15D21 -97.4 3.5 -8.72 0.05 0
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19777 572494 1 O2N3F6C11H11 A2B3C6D11E11 -350.7 5.57 -9.3 -0.48 0
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19778 572531 1 O3N4C10H12 A3B4C10D12 -22.96 7.47 -8.85 -0.88 0
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19779 572532 1 ClSO2N4C5H5 ABC2D4E5F5 24.75 1.46 -9.7 -1.66 0
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19780 572538 1 ON2C12H18 AB2C12D18 -42.45 1.93 -9.11 -0.15 0
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19781 572586 1 FOSN3H10C11 ABCD3E10F11 -1.74 4.3 -9.38 -1.14 0
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19782 572598 1 SN3C13H13 AB3C13D13 92.14 0.97 -8.72 -0.6 0
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19783 572614 1 ClON2F3H10C16 ABC2D3E10F16 -128.46 4.99 -9.83 -1.59 0
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19784 572650 1 O5C17H22 A5B17C22 -193.54 6.01 -9.59 -0.45 0