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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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39753 8142156 1 O3N4C23H26 A3B4C23D26 -49.42 2.05 -8.72 -0.96 1
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39754 8142159 1 O2N4C22H25 A2B4C22D25 5.05 3.97 0.0 0.0 0
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39755 8142164 1 N3O3C24H31 A3B3C24D31 -99.63 3.71 -8.69 0.07 1
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39756 8142171 1 N3O3C23H30 A3B3C23D30 -75.64 6.48 0.0 0.0 1
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39757 8142177 1 SO2N3C21H26 AB2C3D21E26 -9.64 2.73 0.0 0.0 0
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39758 8142178 1 SO2N3C21H25 AB2C3D21E25 -26.92 1.34 -8.94 -1.06 0
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39759 8142183 1 SO3N4C18H20 AB3C4D18E20 -89.51 2.05 -9.21 -0.9 0
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39760 8142184 1 SN3O6H15C18 AB3C6D15E18 -78.56 6.67 -8.74 -1.63 0
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39761 8142187 1 NOC19H29 ABC19D29 -69.76 3.58 -8.75 0.7 0
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39762 8142190 1 N2O3C25H36 A2B3C25D36 -174.45 5.92 -8.7 -0.2 0
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39763 8142209 1 ClSN3O4C16H22 ABC3D4E16F22 -161.41 2.5 -9.84 -1.25 0
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39764 8142210 1 N2O3C19H20 A2B3C19D20 -89.94 2.8 -9.06 -0.43 0
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39765 8142211 1 ClN3O4C12H14 AB3C4D12E14 -85.5 2.0 -10.02 -2.15 0
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39766 8142213 1 SN3O5C16H23 AB3C5D16E23 -187.47 3.14 -9.59 -1.3 0
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39767 8142214 1 SN3O4C19H23 AB3C4D19E23 -121.81 7.73 -8.72 -1.1 0
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39768 8142215 1 SO2N4C19H20 AB2C4D19E20 4.68 1.67 -9.01 -0.87 0
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39769 8142217 1 FSN2O3H21C22 ABC2D3E21F22 -96.41 4.47 -9.5 -0.78 0
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39770 8142218 1 SN2O4C22H22 AB2C4D22E22 -72.68 4.95 -9.02 -0.94 0
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39771 8142220 1 SN2O3C23H24 AB2C3D23E24 -62.86 4.49 -9.17 -0.84 0
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39772 8142222 1 SN3O3H21C23 AB3C3D21E23 -21.92 2.67 -9.33 -1.36 0
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39773 8142229 1 SN2O4C21H22 AB2C4D21E22 -77.18 2.68 -9.02 -0.53 0
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39774 8142234 1 SN2O3C21H22 AB2C3D21E22 -55.54 4.46 -8.77 -0.38 0
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39775 8142235 1 SO2N3H17C20 AB2C3D17E20 28.68 5.32 -9.26 -0.82 0
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39776 8142239 1 SN2O2C20H20 AB2C2D20E20 -17.71 3.12 -8.8 -0.55 0
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39777 8142243 1 O7C21H26 A7B21C26 -235.42 3.83 -8.27 -0.45 0
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39778 8142248 1 NO6C22H23 AB6C22D23 -201.06 2.69 -8.29 -1.31 0
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39779 8142255 1 SN3O3H17C19 AB3C3D17E19 23.46 5.69 -9.25 -1.76 0
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39780 8142259 1 SN2O2C20H20 AB2C2D20E20 -17.14 2.27 -8.8 -0.54 0
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39781 8142265 1 N2O4H18C21 A2B4C18D21 -11.37 2.38 -8.9 -1.64 0
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39782 8142267 1 BrNO2H18C21 ABC2D18E21 -8.54 4.89 -8.82 -0.62 0
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39783 8142271 1 NO2H21C23 AB2C21D23 4.86 2.73 -8.73 -0.6 0
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39784 8142272 1 N2O4H18C21 A2B4C18D21 -11.29 5.86 -9.12 -1.68 0
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39785 8142274 1 NO2C21H25 AB2C21D25 -57.9 2.11 -8.8 0.14 0
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39786 8142276 1 NO4C25H25 AB4C25D25 -73.12 3.2 -8.44 -0.62 0
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39787 8142284 1 NF2O2H17C21 AB2C2D17E21 -102.54 3.23 -8.97 -0.79 0
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39788 8142308 1 NO2H21C22 AB2C21D22 -17.23 4.89 -8.84 -0.18 0
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39789 8142312 1 NO3C23H23 AB3C23D23 -59.17 2.14 -8.92 0.08 0
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39790 8142313 1 NO3C24H25 AB3C24D25 -67.48 4.84 -8.81 0.06 0
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39791 8142315 1 FNO3H20C22 ABC3D20E22 -94.38 1.92 -8.84 -0.26 0
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39792 8142317 1 NO3C24H25 AB3C24D25 -63.99 2.41 -8.81 0.1 0
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39793 8142319 1 FNO3H20C22 ABC3D20E22 -87.93 5.38 -8.88 -0.31 0
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39794 8142320 1 FNO3H20C22 ABC3D20E22 -89.81 3.43 -8.95 -0.39 0
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39795 8142327 3 NOH7C8 ABC7D8 -16.92 3.79 -8.84 -0.96 0
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39796 8142332 2 NOH9C11 ABC9D11 25.33 6.73 -8.92 -1.0 0
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39797 8142335 1 NO4H23C25 AB4C23D25 -79.09 4.09 -8.88 -1.03 0
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39798 8142350 1 NSO2C23H23 ABC2D23E23 -26.39 1.88 -8.83 -1.18 0
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39799 8142353 1 Cl2N2O6H14C17 A2B2C6D14E17 -138.19 6.48 -9.42 -1.64 0
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39800 8142354 1 Cl3N4H9C11 A3B4C9D11 61.49 2.75 -9.09 -1.1 0
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39801 8142364 1 BrNO4C15H20 ABC4D15E20 -152.29 5.69 -9.78 -1.19 0
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39802 8142367 1 BrSN3O4C11H14 ABC3D4E11F14 -121.6 5.0 -9.82 -0.94 0
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39803 8142383 1 ClNOH16C17 ABCD16E17 0.73 2.22 -8.81 -0.88 0
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39804 8142384 1 SN3O3H19C22 AB3C3D19E22 5.02 6.05 -8.77 -1.41 0
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39805 8142386 1 ClN3H18C23 AB3C18D23 119.24 5.13 -8.83 -0.8 0
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39806 8142387 1 FN7C21H24 AB7C21D24 73.49 1.88 -9.08 -0.53 -1
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39807 8142398 1 NO4H12C17 AB4C12D17 -112.62 7.43 0.0 0.0 0
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39808 8142409 1 N2O4H14C21 A2B4C14D21 9.58 5.19 -9.68 -1.69 0
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39809 8142417 2 O3C12H16 A3B12C16 -144.65 5.91 -6.0 -2.54 0
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39810 8142418 2 O3C12H16 A3B12C16 -144.64 5.91 -6.0 -2.54 0
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39811 8142420 1 SN2O5H18C21 AB2C5D18E21 -42.54 3.92 -8.76 -1.03 0
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39812 8142422 1 BrNOH10C13 ABCD10E13 35.6 0.35 -9.04 -0.92 0
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39813 8142428 1 NSO4H21C22 ABC4D21E22 -79.61 4.27 -8.7 -1.18 0
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39814 8142438 2 ON3C4H7 AB3C4D7 62.88 6.8 -9.25 -0.76 0
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39815 8142464 3 FNOC6H6 ABCD6E6 -230.22 2.18 -8.92 -0.55 0
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39816 8142468 1 F3N3O4C19H20 A3B3C4D19E20 -254.83 4.63 -8.55 -0.51 0
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39817 8142476 1 NO2C29H35 AB2C29D35 -47.14 3.43 -8.1 -0.54 0
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39818 8142478 1 NO2H19C21 AB2C19D21 5.73 7.67 -8.26 -0.55 0
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39819 8142479 1 NO2H19C21 AB2C19D21 4.91 7.95 -8.18 -0.5 0
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39820 8142488 1 ON6C21H26 AB6C21D26 60.68 7.45 -8.46 -0.21 0
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39821 8142489 1 N2O2C25H36 A2B2C25D36 -89.51 4.99 -8.35 0.36 0
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39822 8142508 1 OSN2C12H12 ABC2D12E12 32.56 3.85 -9.19 -0.68 0
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39823 8142514 2 NO2C7H8 AB2C7D8 -147.09 7.22 -9.06 -1.17 0
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39824 8142519 1 ClO2N3H10C12 AB2C3D10E12 -23.37 2.49 -9.67 -0.72 0
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39825 8142520 1 ClO2N3H10C12 AB2C3D10E12 -23.38 2.48 -9.67 -0.72 0
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39826 8142522 1 N2O3H18C21 A2B3C18D21 17.01 4.63 -8.56 -1.28 0
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39827 8142526 1 SO3N4C17H22 AB3C4D17E22 -67.29 4.71 -8.19 -0.81 0
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39828 8142527 1 SO3N4C17H22 AB3C4D17E22 -62.15 10.7 -8.42 -1.02 0
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39829 8142529 1 SO2N4C22H28 AB2C4D22E28 -46.87 5.88 -8.47 -0.88 0
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39830 8142532 1 SO3N4C21H26 AB3C4D21E26 -60.3 7.87 -8.21 -0.85 0
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39831 8142534 1 ClSN2O4H11C18 ABC2D4E11F18 -92.91 1.95 -9.28 -1.26 0
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39832 8142535 1 ClSN2O4H11C18 ABC2D4E11F18 -92.87 3.51 -9.28 -1.28 0
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39833 8142537 1 FSO2N4C19H23 ABC2D4E19F23 -83.08 8.05 -8.84 -1.18 0
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39834 8142538 1 FSO2N4C19H23 ABC2D4E19F23 -82.61 12.1 -8.72 -1.07 0
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39835 8142542 1 ClFSO2N4C15H16 ABCD2E4F15G16 -82.01 12.84 -8.91 -1.19 0
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39836 8142543 1 N3O5C23H25 A3B5C23D25 -141.11 3.32 -8.44 -0.43 0
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39837 8142544 1 N3O5C23H25 A3B5C23D25 -140.02 0.55 -8.35 -0.71 0
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39838 8142545 1 NF3O6C19H24 AB3C6D19E24 -430.75 3.93 -9.38 -0.54 0
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39839 8142546 1 NF3O6C19H24 AB3C6D19E24 -430.14 8.07 -9.42 -0.53 0
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39840 8142549 1 NO2C23H23 AB2C23D23 -28.87 2.33 -8.62 -0.19 4
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39841 8142551 2 N3C10H18 A3B10C18 75.78 4.96 -8.76 -0.02 0
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39842 8142554 1 N2F3O5C9H13 A2B3C5D9E13 -278.84 5.58 -9.03 -1.29 0
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39843 8142555 1 N2F3O5C9H13 A2B3C5D9E13 -278.61 5.91 -9.09 -1.36 0
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39844 8142556 1 NOCl3H12C16 ABC3D12E16 18.67 3.2 -8.7 -1.12 0
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39845 8142559 2 BrOC7H8 ABC7D8 -87.07 3.39 -9.83 -0.73 0
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39846 8142561 2 BrOC7H8 ABC7D8 -88.2 6.41 -9.97 -0.52 0
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39847 8142562 1 ON2C19H24 AB2C19D24 10.37 3.71 -9.08 -0.27 0
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39848 8142565 1 NO4C17H27 AB4C17D27 -186.06 2.66 -8.69 -0.46 0
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39849 8142566 4 OC6H9 AB6C9 -205.65 3.03 -8.96 -0.1 0
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39850 8142570 1 BrN3O3H18C19 AB3C3D18E19 -38.34 1.69 -9.13 -0.51 0
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39851 8142571 1 BrN3O3H18C19 AB3C3D18E19 -37.95 7.4 -9.19 -0.49 0
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39852 8142572 1 N3O6H11C20 A3B6C11D20 30.62 7.25 -9.38 -2.42 0