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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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37753 8024109 1 OSN2C15H18 ABC2D15E18 -7.58 2.36 -8.84 -0.64 0
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37754 8024112 1 N3O4C17H17 A3B4C17D17 -73.86 4.74 -9.51 -1.06 1
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37755 8024117 1 NO3C22H26 AB3C22D26 -68.04 11.41 0.0 0.0 0
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37756 8024135 1 FN3O4H14C18 AB3C4D14E18 -132.9 1.46 -9.12 -1.4 0
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37757 8024139 1 N3O4H17C19 A3B4C17D19 -97.75 3.25 -8.64 -1.48 0
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37758 8024142 1 N3O4C21H21 A3B4C21D21 -94.64 6.52 -9.48 -0.98 1
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37759 8024149 1 ClN2O3C20H26 AB2C3D20E26 -77.15 4.99 0.0 0.0 0
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37760 8024154 1 ClON5C20H22 ABC5D20E22 37.39 9.29 -8.92 -0.9 0
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37761 8024157 1 ClSO2N3C21H24 ABC2D3E21F24 -50.68 5.72 -8.53 -0.92 0
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37762 8024175 1 F3N3O4H12C18 A3B3C4D12E18 -217.01 6.41 -9.45 -1.58 0
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37763 8024176 1 FN2O2C17H17 AB2C2D17E17 -100.39 6.09 -9.17 -0.47 0
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37764 8024178 1 BrFNOH11C14 ABCDE11F14 -44.8 4.8 -8.96 -0.89 0
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37765 8024184 1 BrClN2O2C18H18 ABC2D2E18F18 -76.18 1.82 -9.08 -0.63 0
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37766 8024186 1 N3O4H15C18 A3B4C15D18 -87.63 4.53 -8.88 -1.45 0
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37767 8024192 2 NO2C11H11 AB2C11D11 -100.24 3.39 -9.66 -1.25 0
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37768 8024194 2 NO2C11H11 AB2C11D11 -99.64 4.25 -9.62 -1.17 0
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37769 8024210 1 N2O4H20C21 A2B4C20D21 -95.06 2.78 -9.2 -1.29 0
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37770 8024220 1 NO2C18H23 AB2C18D23 -74.4 6.86 -8.97 -0.79 1
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37771 8024223 1 NO2C18H24 AB2C18D24 -64.43 14.49 0.0 0.0 0
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37772 8024228 1 N3O4C23H25 A3B4C23D25 -103.02 4.18 -8.17 -0.35 0
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37773 8024239 1 SO2N4C8H10 AB2C4D8E10 -55.25 2.99 -9.42 -1.04 0
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37774 8024257 2 SN2H7C10 AB2C7D10 155.61 6.36 -8.51 -0.88 0
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37775 8024266 1 N2O5C22H24 A2B5C22D24 -160.25 4.47 -8.3 -0.26 0
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37776 8024299 1 N2O3C12H12 A2B3C12D12 -48.09 2.25 -9.59 -0.76 0
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37777 8024357 2 NOC9H12 ABC9D12 -56.69 3.87 -8.88 -0.53 0
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37778 8024362 1 SO3N5C16H17 AB3C5D16E17 31.92 8.6 -9.37 -1.37 0
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37779 8024367 1 N3O3C20H23 A3B3C20D23 -101.63 1.46 -9.11 -0.8 0
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37780 8024371 1 SN3O6C17H19 AB3C6D17E19 -94.46 8.57 -8.57 -1.48 0
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37781 8024376 1 N2S2O3H14C19 A2B2C3D14E19 -26.29 7.07 -8.75 -1.4 0
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37782 8024377 1 SO4N5H15C16 AB4C5D15E16 -18.78 5.1 -9.03 -1.44 0
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37783 8024381 1 S2N3O3H13C18 A2B3C3D13E18 -12.21 9.2 -8.78 -1.52 0
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37784 8024382 1 SN2O3C18H20 AB2C3D18E20 -73.82 2.72 -8.32 -0.01 1
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37785 8024386 1 N2O5C19H21 A2B5C19D21 -118.6 2.87 0.0 0.0 0
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37786 8024387 1 N2O5C19H20 A2B5C19D20 -137.93 1.94 -8.3 -0.25 0
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37787 8024395 1 NOSCl2H13C14 ABCD2E13F14 -24.86 3.44 -9.18 -0.82 1
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37788 8024396 1 N2O2C18H29 A2B2C18D29 -76.62 3.03 0.0 0.0 1
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37789 8024400 1 ClOSN3C19H23 ABCD3E19F23 45.28 17.67 0.0 0.0 0
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37790 8024403 1 SN3O4C15H15 AB3C4D15E15 -84.47 1.98 -8.79 -1.32 0
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37791 8024448 1 N2F3O3H17C21 A2B3C3D17E21 -204.13 2.63 -9.46 -0.75 -1
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37792 8024462 1 NSO4C14H18 ABC4D14E18 -140.7 5.35 0.0 0.0 0
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37793 8024500 1 F2N6H8C15 A2B6C8D15 52.06 6.68 -9.57 -1.33 0
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37794 8024503 1 ClS2N3C12H12 AB2C3D12E12 81.93 4.6 -8.48 -1.11 0
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37795 8024540 1 OSN4C22H22 ABC4D22E22 38.17 4.56 -8.87 -0.91 0
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37796 8024550 1 SO3N4C20H24 AB3C4D20E24 -56.28 4.59 -9.33 -0.87 0
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37797 8024551 1 OS2N4C20H28 AB2C4D20E28 -6.35 3.57 -8.31 -0.96 1
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37798 8024558 1 S2N5H10C12 A2B5C10D12 118.0 9.48 0.0 0.0 0
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37799 8024577 2 OSN2C10H10 ABC2D10E10 20.62 6.98 -8.02 -0.62 0
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37800 8024579 2 OSN2C10H10 ABC2D10E10 24.49 6.06 -8.38 -1.0 0
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37801 8024581 1 O2S3N4C14H22 A2B3C4D14E22 -62.78 2.79 -8.95 -1.38 0
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37802 8024583 1 SO2N5C19H19 AB2C5D19E19 25.65 3.0 -9.0 -1.35 0
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37803 8024585 1 SN2O4H18C19 AB2C4D18E19 -91.53 6.15 -9.0 -0.78 0
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37804 8024602 1 SN2F3O3H13C16 AB2C3D3E13F16 -206.86 6.85 -9.05 -1.37 0
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37805 8024638 1 NO3C17H21 AB3C17D21 -112.77 7.3 -9.08 -0.79 1
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37806 8024640 1 NO3C17H22 AB3C17D22 -98.05 11.89 0.0 0.0 0
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37807 8024676 1 OSN4C18H20 ABC4D18E20 29.91 3.84 -9.08 -0.98 0
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37808 8024682 1 SN3O6C15H19 AB3C6D15E19 -117.3 6.69 -9.56 -1.31 0
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37809 8024708 1 FNO2H20C21 ABC2D20E21 -75.07 2.61 -9.38 -0.82 0
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37810 8024726 1 SN2O3C19H22 AB2C3D19E22 -28.99 6.49 -8.84 -1.69 0
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37811 8024748 1 O3N4C19H22 A3B4C19D22 -69.89 5.8 -9.95 -1.51 2
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37812 8024763 1 N2O3C13H22 A2B3C13D22 -71.23 3.61 -8.71 -0.03 0
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37813 8024767 1 N3C14H19 A3B14C19 64.29 3.62 -8.31 0.34 1
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37814 8024774 1 NO4C21H26 AB4C21D26 -100.49 2.53 0.0 0.0 1
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37815 8024795 1 NO3C27H34 AB3C27D34 -61.47 3.82 0.0 0.0 0
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37816 8024808 1 NO2C23H25 AB2C23D25 -20.77 1.3 -8.63 -0.03 1
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37817 8024815 1 SO2N3C20H30 AB2C3D20E30 -57.69 9.94 0.0 0.0 2
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37818 8024820 1 ClN2O3C20H31 AB2C3D20E31 27.36 9.85 -5.66 0.09 1
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37819 8024822 1 ClN3C18H19 AB3C18D19 100.86 11.89 0.0 0.0 2
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37820 8024860 1 ON2C19H26 AB2C19D26 90.14 4.06 -3.63 -0.73 1
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37821 8024864 1 SN2O2C18H21 AB2C2D18E21 -8.41 7.58 0.0 0.0 0
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37822 8024868 1 NO3C11H19 AB3C11D19 -112.38 1.52 -9.2 0.59 0
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37823 8024885 1 NOC14H29 ABC14D29 -98.68 1.81 -8.73 2.22 1
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37824 8024904 1 NOC13H26 ABC13D26 -61.79 1.18 0.0 0.0 0
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37825 8024916 1 SN3C23H29 AB3C23D29 54.47 5.54 -8.1 -0.01 0
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37826 8024927 1 ClOSN3H16C17 ABCD3E16F17 53.22 4.61 -8.79 -0.61 1
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37827 8024928 1 BrSN4C17H18 ABC4D17E18 135.46 4.5 0.0 0.0 1
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37828 8024932 1 ON3C20H22 AB3C20D22 74.91 4.69 0.0 0.0 0
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37829 8024936 1 S2N3O4C16H21 A2B3C4D16E21 -142.82 3.52 -9.06 -1.44 0
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37830 8024940 1 OS2N4C15H18 AB2C4D15E18 40.53 5.27 -8.64 -1.19 0
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37831 8024942 1 OS2N4C15H18 AB2C4D15E18 40.11 5.45 -8.66 -1.23 0
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37832 8024944 1 S2O3N5C17H19 A2B3C5D17E19 -55.88 8.91 -8.98 -1.52 0
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37833 8024956 1 OS2N4C20H28 AB2C4D20E28 -9.72 5.54 -8.57 -1.17 0
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37834 8024967 1 NF2O3C19H19 AB2C3D19E19 -190.84 2.34 -8.73 -1.6 0
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37835 8024979 1 N2O2C17H32 A2B2C17D32 -96.96 2.92 -8.93 1.33 0
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37836 8024982 1 SO2N4C21H26 AB2C4D21E26 12.26 3.22 -8.64 -0.73 2
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37837 8025008 1 N5C22H39 A5B22C39 123.33 3.21 -6.24 0.04 1
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37838 8025015 1 SN2O4C20H27 AB2C4D20E27 -103.08 8.41 0.0 0.0 1
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37839 8025036 1 ClO3N4C17H22 AB3C4D17E22 -103.56 13.71 0.0 0.0 1
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37840 8025037 1 NOC12H22 ABC12D22 -0.61 2.11 0.0 0.0 0
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37841 8025038 1 NOC12H21 ABC12D21 -23.08 1.5 -8.96 1.3 1
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37842 8025051 1 ON2C23H29 AB2C23D29 19.39 4.42 0.0 0.0 1
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37843 8025053 1 SN2C20H27 AB2C20D27 28.41 3.72 0.0 0.0 1
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37844 8025065 1 BrClSN2O3C13H19 ABCD2E3F13G19 -75.98 4.38 0.0 0.0 0
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37845 8025085 1 ClOSN2H19C20 ABCD2E19F20 3.95 3.49 -8.55 -0.62 0
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37846 8025088 1 NSO2H17C18 ABC2D17E18 -16.66 5.28 -8.98 -0.59 0
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37847 8025090 1 N2S2O4C19H22 A2B2C4D19E22 -102.48 4.56 -9.13 -1.07 0
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37848 8025095 1 O2N4C21H22 A2B4C21D22 45.45 35.43 -7.72 -1.51 0
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37849 8025100 1 SO2N3H15C19 AB2C3D15E19 50.47 4.0 -9.14 -1.42 0
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37850 8025102 1 S2N3O3C19H21 A2B3C3D19E21 -80.46 0.92 -8.71 -1.12 0
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37851 8025103 1 ON2S2H18C19 AB2C2D18E19 37.54 5.05 -8.99 -1.0 0
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37852 8025112 1 NO2C18H19 AB2C18D19 -64.51 3.41 -8.97 -0.68 0