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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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389994 134996467 1 NPO2C14H24 ABC2D14E24 -113.04 1.02 -7.9 0.63 0
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389995 134996468 1 NPO6C8H10 ABC6D8E10 -209.96 4.52 -10.16 -1.34 0
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389996 134996500 1 SO2N5C7H7 AB2C5D7E7 45.97 2.77 -10.12 -1.64 0
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389997 134996501 1 OC12H16 AB12C16 18.24 2.51 -8.82 0.71 0
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389998 134996502 1 Br2O2H8C9 A2B2C8D9 -20.49 0.6 -9.99 -0.76 0
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389999 134996506 2 NOC6H9 ABC6D9 -17.41 5.57 -9.68 -0.58 0
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390000 134996509 1 NSiC15H25 ABC15D25 -36.68 1.97 -7.91 0.74 0
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390001 134996512 1 O3C12H14 A3B12C14 -119.98 5.72 -10.07 0.26 0
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390002 134996515 1 OS2C8H14 AB2C8D14 -45.28 2.49 -8.08 0.34 0
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390003 134996542 1 PBr2O4C8H11 AB2C4D8E11 -228.91 4.35 -10.7 -0.88 0
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390004 134996544 1 NPO2C14H20 ABC2D14E20 -132.03 4.9 -9.97 -0.38 0
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390005 134996548 1 NC14H19 AB14C19 21.87 1.92 -7.98 0.61 0
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390006 134996552 1 P2O7C8H18 A2B7C8D18 -417.0 1.66 -9.29 0.36 0
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390007 134996554 2 NSC6H8 ABC6D8 68.8 2.74 -9.07 -1.29 0
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390008 134996556 1 S3C11H14 A3B11C14 32.9 1.03 -8.5 -1.14 0
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390009 134996561 2 SC7H12 AB7C12 -15.27 0.27 -7.72 0.48 0
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390010 134996568 1 PO2C12H25 AB2C12D25 -148.43 7.75 -9.43 0.67 0
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390011 134996569 1 BrNSSeO2H8C9 ABCDE2F8G9 51.21 5.26 -8.9 -1.52 0
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390012 134996570 1 BrSe2C10H11 AB2C10D11 38.48 2.05 -8.23 -0.82 0
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390013 134996578 1 NPO4C11H16 ABC4D11E16 -135.55 1.06 -9.88 -0.48 0
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390014 134996582 1 PO2C13H15 AB2C13D15 -100.09 3.28 -9.07 -0.66 0
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390015 134996584 1 NBr3C11H22 AB3C11D22 -21.49 11.11 -8.05 -1.19 0
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390016 134996588 1 NB2Br2C11H17 AB2C2D11E17 -123.96 3.06 -9.15 -0.37 0
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390017 134996594 1 OS2C12H18 AB2C12D18 -71.19 4.49 -8.72 -0.02 0
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390018 134996597 1 O4C13H14 A4B13C14 -129.19 4.65 -9.63 -0.38 0
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390019 134996623 1 NOSC13H17 ABCD13E17 -5.84 2.85 -7.99 0.28 0
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390020 134996644 1 NPO2C12H20 ABC2D12E20 -126.19 5.21 -9.15 -0.06 0
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390021 134996645 1 NPO3C12H18 ABC3D12E18 -162.03 2.32 -9.37 -0.1 0
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390022 134996649 1 N2O5H10C11 A2B5C10D11 -88.13 5.72 -9.34 -1.4 0
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390023 134996661 1 SO2F3C12H19 AB2C3D12E19 -266.45 3.21 -9.13 -1.2 0
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390024 134996671 1 PO5C11H21 AB5C11D21 -286.61 2.01 -10.3 -0.1 0
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390025 134996673 1 SN2C12H12 AB2C12D12 58.52 0.6 -8.52 -0.85 1
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390026 134996679 1 BOPC7H9 ABCD7E9 76.03 3.35 0.0 0.0 0
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390027 134996683 1 OPSC19H25 ABCD19E25 -75.66 4.04 -8.48 0.17 0
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390028 134996692 1 N3C29H39 A3B29C39 44.1 3.15 -9.38 -1.14 0
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390029 134996694 1 NPO3H24C32 ABC3D24E32 48.66 6.94 -9.03 -0.9 0
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390030 134996695 1 ON5C21H21 AB5C21D21 78.41 6.34 -8.75 -1.09 0
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390031 134996700 1 ClOSN3H14C17 ABCD3E14F17 90.37 2.19 -8.87 -1.68 0
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390032 134996713 1 IPN2O4C15H18 ABC2D4E15F18 -162.99 5.77 -9.2 -1.21 0
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390033 134996723 1 N2O4C19H22 A2B4C19D22 -84.83 2.83 -9.45 -0.36 0
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390034 134996726 1 TiO4C23H34 AB4C23D34 -114.44 24.11 -6.79 -4.03 0
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390035 134996727 1 NOC17H19 ABC17D19 39.13 4.15 -8.54 -0.3 0
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390037 134996737 1 NO20C27H47 AB20C27D47 -904.88 8.36 -10.06 0.05 0
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390038 134996744 1 NSiO6C22H37 ABC6D22E37 -288.9 1.81 -9.0 0.43 0
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390039 134996746 1 CrO4C17H18 AB4C17D18 -90.65 3.24 -7.33 0.49 0
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390040 134996762 1 OSSiN3C13H17 ABCD3E13F17 21.96 6.55 -8.9 -0.44 0
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390041 134996770 1 CrSiO6C29H36 ABC6D29E36 -230.35 2.4 -7.4 -0.59 0
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390042 134996791 1 NSC15H21 ABC15D21 35.62 0.86 -8.48 0.0 0
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390043 134996792 1 NOSiC24H37 ABCD24E37 -60.04 0.12 -8.8 0.03 0
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390045 134996794 1 OSN2C12H16 ABC2D12E16 -11.62 1.34 -8.75 -0.38 0
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390046 134996799 1 NSO6C15H15 ABC6D15E15 -178.68 7.21 -10.43 -1.46 0
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390047 134996800 1 NPSO7C37H38 ABCD7E37F38 -244.82 7.91 -8.52 -1.21 0
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390048 134996807 1 NSSiO2C15H23 ABCD2E15F23 -99.6 3.51 -9.56 -0.43 0
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390049 134996810 1 FNH14C16 ABC14D16 8.76 3.0 -9.01 -0.66 0
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390050 134996816 1 FNOSiC12H16 ABCDE12F16 -86.57 2.67 -9.95 -0.33 0
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390051 134996817 1 NSiO3C14H29 ABC3D14E29 -173.88 3.47 -9.77 1.12 0
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390052 134996821 1 OSN2F3C13H23 ABC2D3E13F23 -185.81 5.33 -8.76 0.0 0
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390053 134996824 1 BPC10H14 ABC10D14 101.71 1.76 -7.65 -0.18 1
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390054 134996825 1 BOPC18H23 ABCD18E23 39.25 6.79 0.0 0.0 0
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390055 134996826 1 O2N5C14H17 A2B5C14D17 -25.93 5.27 -8.95 -1.39 0
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390056 134996841 1 N3C31H43 A3B31C43 34.05 3.15 -9.38 -1.13 0
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390057 134996843 1 ClOSN4H25C32 ABCD4E25F32 144.22 10.9 -7.87 -1.38 0
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390058 134996849 1 O4S5C14H16 A4B5C14D16 -154.82 3.49 -8.85 -2.14 0
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390059 134996867 1 NO6H15C17 AB6C15D17 -124.05 4.45 -8.99 -1.33 0
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390060 134996872 1 O4N5H15C19 A4B5C15D19 71.96 4.1 -9.23 -1.76 0
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390061 134996877 1 NO2C19H23 AB2C19D23 -1.21 2.58 -9.16 -0.01 0
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390062 134996883 1 O4C59H90 A4B59C90 -163.14 3.85 -8.67 -1.66 0
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390063 134996885 1 OSiC17H32 ABC17D32 -98.94 2.35 -8.8 0.92 0
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390064 134996893 1 NOSiC20H25 ABCD20E25 9.15 3.17 -8.1 0.01 0
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390065 134996894 1 BrCrSiO5C28H33 ABCD5E28F33 -211.23 4.1 -7.96 -0.87 0
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390066 134996895 1 CrNO4C18H23 ABC4D18E23 -43.73 6.63 -5.83 0.2 0
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390067 134996896 2 OSC7H9 ABC7D9 -56.95 6.49 -8.05 -0.41 0
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390068 134996897 1 OSC13H18 ABC13D18 -41.26 0.89 -8.5 -0.05 0
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390069 134996904 1 NSC21H21 ABC21D21 85.88 0.45 -8.2 -0.41 0
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390070 134996929 1 N2O2C19H22 A2B2C19D22 -29.59 4.96 -9.17 -1.17 0
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390071 134996930 1 ON2C20H22 AB2C20D22 29.84 2.81 -9.0 -1.32 0
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390072 134996936 1 ON2C21H24 AB2C21D24 12.64 5.53 -9.06 -1.08 0
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390073 134996945 2 PSC8H16 ABC8D16 -161.66 6.78 -8.34 1.52 0
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390074 134996947 2 SiO2C9H20 AB2C9D20 -319.56 2.64 -8.79 0.78 0
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390075 134996954 1 N3C31H41 A3B31C41 59.4 3.18 -9.39 -1.1 0
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390076 134996955 1 ON3H17C22 AB3C17D22 101.28 4.26 -9.0 -1.28 0
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390077 134996956 1 SN4H14C18 AB4C14D18 147.45 2.98 -8.98 -1.84 0
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390078 134996960 1 N6O12C33H46 A6B12C33D46 -337.16 1.51 -9.5 -0.95 0
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390079 134996961 1 NO7C17H19 AB7C17D19 -203.5 5.99 -10.52 -1.44 1
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390080 134996975 1 MnPO2H19C23 ABC2D19E23 174.55 8.22 0.0 0.0 1
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390081 134996976 1 MoPO5H14C21 ABC5D14E21 150.16 8.92 0.0 0.0 1
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390082 134996979 1 PWO5H12C16 ABC5D12E16 23.43 6.2 0.0 0.0 0
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390083 134996986 1 N2O2C15H20 A2B2C15D20 -61.13 2.42 -9.6 -0.87 0
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390084 134996988 1 ON2C9H16 AB2C9D16 8.27 3.41 -8.83 0.48 0
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390085 134996990 1 N2O2C17H22 A2B2C17D22 -61.52 3.45 -9.34 -0.78 0
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390086 134996996 1 SiO6C42H68 AB6C42D68 -375.71 3.8 -8.9 0.23 0
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390087 134997003 1 ClNSO15H54C63 ABCD15E54F63 -425.57 4.76 -9.0 -1.17 0
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390088 134997006 1 FN2S2O23C50H61 AB2C2D23E50F61 -1034.2 4.29 -9.02 -0.6 0
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390089 134997007 1 NSO12C52H53 ABC12D52E53 -365.5 6.22 -9.04 -1.47 0
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390090 134997008 1 N3O7C50H57 A3B7C50D57 -143.26 6.05 -9.15 -1.87 0
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390091 134997014 1 ClN2H13C17 AB2C13D17 87.4 6.24 -9.33 -1.06 0
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390092 134997022 1 CrNO4C20H25 ABC4D20E25 25.71 5.64 -7.79 0.19 -2
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390094 134997033 1 NOC20H29 ABC20D29 -54.93 2.61 -8.58 0.37 0
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390096 134997039 1 S2N3O3C11H15 A2B3C3D11E15 -72.02 4.44 -8.39 -0.89 -1
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390097 134997043 1 AlNOC17H29 ABCD17E29 -26.57 8.52 0.0 0.0 0