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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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390934 135001667 1 Cl2S2F3P3N5O11C18H27 A2B2C3D3E5F11G18H27 -776.19 6.96 -8.7 -0.58 0
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390935 135001668 1 N2F3O7C31H37 A2B3C7D31E37 -417.26 3.28 -9.64 -0.3 0
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390936 135001669 1 PCl2N11O27C80H106 AB2C11D27E80F106 -1008.68 11.96 -7.66 -1.57 0
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390937 135001670 1 NO7H21C22 AB7C21D22 -243.2 9.65 -9.35 -0.79 0
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390938 135001677 1 O3C16H22 A3B16C22 -136.23 4.82 -9.25 -0.18 0
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390939 135001682 1 NO2C15H17 AB2C15D17 -50.34 2.85 -9.42 -0.77 0
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390941 135001695 1 NSO4C21H25 ABC4D21E25 -135.69 6.92 -8.98 -0.53 0
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390943 135001704 1 N7O11C34H63 A7B11C34D63 -605.8 2.8 -9.69 0.18 0
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390944 135001708 1 O3C12H14 A3B12C14 -101.99 0.77 -10.11 -0.77 0
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390945 135001712 1 OC12H14 AB12C14 -16.69 1.7 -8.98 0.26 0
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390946 135001715 1 NO2C13H19 AB2C13D19 -45.44 4.08 -8.48 0.18 0
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390947 135001723 1 SN4O8C21H36 AB4C8D21E36 -346.72 4.21 -8.9 -0.5 0
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390948 135001732 1 O2C19H22 A2B19C22 -49.89 3.75 -8.25 0.14 0
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390949 135001736 1 N2O4H14C15 A2B4C14D15 -79.72 3.27 -9.88 -1.11 0
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390950 135001740 1 O4C13H14 A4B13C14 -143.05 2.88 -9.62 -0.7 0
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390951 135001742 1 NO3C13H15 AB3C13D15 -106.73 4.34 -9.35 -0.92 0
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390952 135001754 1 OC17H32 AB17C32 -86.68 1.57 -9.29 0.21 0
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390953 135001785 1 NO10C24H27 AB10C24D27 -378.55 6.12 -9.63 -0.83 0
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390954 135001794 2 OC6H7 AB6C7 -51.01 2.6 -8.82 0.22 0
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390955 135001800 1 N7O16C58H75 A7B16C58D75 -657.26 6.42 -8.45 -0.47 -1
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390956 135001801 1 SO4N5C25H26 AB4C5D25E26 -6.94 3.89 0.0 0.0 0
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390957 135001802 1 ClNSO5C17H18 ABCD5E17F18 -185.88 3.72 -9.96 -1.14 0
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390958 135001827 1 FOC11H11 ABC11D11 -52.29 2.97 -9.39 -0.08 0
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390959 135001835 1 NC17H19 AB17C19 44.15 2.32 -9.24 -0.61 0
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390960 135001836 1 O2C19H20 A2B19C20 -31.43 1.79 -9.31 0.18 0
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390962 135001848 1 SN3O7C47H49 AB3C7D47E49 -201.65 5.21 -8.94 -0.49 0
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390963 135001864 1 O4C13H16 A4B13C16 -131.73 3.85 -8.92 0.08 0
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390964 135001902 1 O4C13H16 A4B13C16 -134.88 3.48 -8.55 0.01 0
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390965 135001903 1 SO3C35H36 AB3C35D36 -27.14 2.22 -8.68 -0.15 0
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390966 135001904 1 NO2C7H13 AB2C7D13 -83.37 1.02 -9.92 0.08 0
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390967 135001914 1 O2F3C14H15 A2B3C14D15 -234.72 3.68 -10.28 -0.75 0
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390968 135001917 1 O11C24H30 A11B24C30 -450.01 1.67 -8.63 0.19 0
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390969 135001920 1 PO2H17C18 AB2C17D18 -51.48 7.74 -9.88 -0.63 0
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390970 135001926 1 OC35H60 AB35C60 -138.43 2.08 -8.89 0.81 0
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390971 135001930 1 SN4O9C38H42 AB4C9D38E42 -265.74 2.65 -9.2 -0.95 0
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390972 135001938 1 O3C12H14 A3B12C14 -103.41 2.06 -9.68 -0.4 0
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390973 135001947 1 SN2O2H14C16 AB2C2D14E16 19.9 6.74 -9.22 -0.74 0
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390974 135001954 3 OC6H8 AB6C8 -109.28 2.24 -8.75 0.18 0
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390975 135001956 1 NO2C23H23 AB2C23D23 -22.0 4.42 -8.52 0.04 0
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390976 135001958 1 NOF2H7C11 ABC2D7E11 -41.88 4.86 -9.24 -1.12 0
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390977 135001968 1 N3O7C22H33 A3B7C22D33 -329.91 1.08 -9.59 -0.11 0
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390978 135001969 1 N3O5C14H27 A3B5C14D27 -265.04 3.98 -9.73 0.24 0
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390979 135001970 1 SN12O18C56H100 AB12C18D56E100 -976.96 7.08 -8.72 0.09 0
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390980 135001972 1 SN5O9C35H47 AB5C9D35E47 -403.44 3.53 -8.74 -0.29 0
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390981 135001981 1 F4N4O7H36C37 A4B4C7D36E37 -375.69 11.98 -8.35 -0.99 0
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390982 135001990 1 NO2C29H29 AB2C29D29 23.48 0.83 -8.18 -0.34 0
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390983 135001991 1 ClPN2S2O4C13H14 ABC2D2E4F13G14 -106.6 6.95 -9.24 -1.74 0
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390984 135002037 1 N2O7C23H26 A2B7C23D26 -265.89 2.27 -9.55 -0.41 0
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390985 135002054 1 N4O5C17H22 A4B5C17D22 -148.77 2.07 -9.79 -0.28 0
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390986 135002057 2 O2C9H11 A2B9C11 -134.52 1.1 -9.26 -0.23 0
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390987 135002058 1 NOC20H31 ABC20D31 -54.46 3.57 -9.27 -0.38 0
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390988 135002059 1 NO2C22H27 AB2C22D27 -44.46 3.57 -8.85 -0.65 0
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390989 135002060 1 NO2C21H25 AB2C21D25 -40.02 4.95 -9.1 -0.63 0
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390990 135002066 1 O4C17H22 A4B17C22 -163.38 2.54 -9.64 0.06 0
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390991 135002068 1 NO4C17H21 AB4C17D21 -115.95 4.41 -8.85 -1.03 0
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390992 135002072 1 BrNO2H22C24 ABC2D22E24 8.47 4.04 -8.78 -0.71 0
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390993 135002081 1 ClNO2C19H20 ABC2D19E20 -34.0 2.85 -9.07 -0.72 0
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390994 135002083 1 BrNOC19H26 ABCD19E26 14.78 3.76 -8.32 -0.37 0
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390995 135002087 1 NO4H25C27 AB4C25D27 -54.39 7.55 -8.22 -0.72 0
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390996 135002093 1 NO3H21C27 AB3C21D27 13.96 2.95 -8.46 -0.84 0
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390997 135002099 1 ClNO6H20C22 ABC6D20E22 -179.48 3.34 -8.76 -1.24 0
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390998 135002100 1 OSiN2C22H44 ABC2D22E44 -138.22 3.97 -8.19 0.58 0
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390999 135002106 1 NO7C17H21 AB7C17D21 -218.92 5.91 -10.25 -1.38 0
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391000 135002123 1 N2C15H18 A2B15C18 22.7 4.58 -8.7 0.07 0
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391001 135002134 1 NC19H21 AB19C21 52.63 2.26 -8.03 0.15 0
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391002 135002141 1 FOC14H19 ABC14D19 -83.81 1.04 -9.31 0.27 0
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391003 135002146 1 N3O5C26H29 A3B5C26D29 -128.06 6.06 -9.41 -1.02 0
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391004 135002158 1 O2H20C27 A2B20C27 27.19 3.38 -8.73 -0.58 0
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391006 135002176 1 BrInSi2F4C24H42 ABC2D4E24F42 -227.88 6.97 -9.41 -1.24 0
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391007 135002181 1 NO2C16H17 AB2C16D17 -22.1 3.77 -8.14 -0.42 0
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391008 135002185 2 C9H10 A9B10 94.6 0.88 -8.94 -0.04 0
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391009 135002216 1 N2O7C26H32 A2B7C26D32 -291.14 2.51 -9.38 -0.06 0
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391010 135002218 1 N3O3C19H19 A3B3C19D19 -8.67 5.3 -8.71 -1.49 0
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391011 135002219 1 N2O2C17H18 A2B2C17D18 -35.67 3.48 -8.54 0.1 0
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391012 135002221 1 N2O5C18H22 A2B5C18D22 -185.44 1.85 -8.6 -0.36 0
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391013 135002227 1 NO2C16H21 AB2C16D21 -59.14 4.31 -8.8 -0.06 0
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391014 135002234 1 N2O11C39H60 A2B11C39D60 -547.91 3.55 -9.52 0.15 0
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391015 135002235 1 N2O12C37H58 A2B12C37D58 -575.78 6.34 -9.38 -0.04 0
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391016 135002241 1 BrSN2C21H21 ABC2D21E21 58.8 6.16 -8.48 -0.51 0
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391017 135002251 1 NO4C19H21 AB4C19D21 -131.69 4.2 -8.35 -0.94 0
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391018 135002258 1 N3O7C32H41 A3B7C32D41 -271.9 1.46 -8.57 -0.21 0
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391019 135002276 1 NO2H23C24 AB2C23D24 4.82 3.82 -8.89 -0.68 0
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391020 135002277 1 NO4C17H21 AB4C17D21 -110.88 5.01 -8.5 -1.02 0
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391021 135002281 1 N2O3H16C23 A2B3C16D23 61.83 5.06 -9.08 -1.7 0
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391022 135002286 1 NO4C16H17 AB4C16D17 -98.77 3.65 -8.91 -1.28 0
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391023 135002287 1 NS2O3H11C13 AB2C3D11E13 -51.58 2.24 -9.31 -1.88 0
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391024 135002299 2 NOC13H13 ABC13D13 -0.04 5.47 -9.29 -0.42 0
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391025 135002300 1 NO5C16H21 AB5C16D21 -209.41 1.54 -8.93 0.01 0
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391026 135002301 1 NO5C16H21 AB5C16D21 -208.42 3.81 -8.96 0.0 0
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391027 135002323 1 SN2O3C32H40 AB2C3D32E40 -82.04 5.12 -8.56 -0.23 0
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391028 135002332 1 N5H19C28 A5B19C28 205.61 1.87 -8.52 -0.36 0
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391029 135002333 2 O3C13H14 A3B13C14 -206.0 6.29 -9.61 -0.77 0
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391030 135002334 1 SO4C24H32 AB4C24D32 -178.21 6.11 -9.79 -0.89 0
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391031 135002335 1 NO4C31H43 AB4C31D43 -21.3 2.79 -8.06 -0.11 0
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391032 135002338 1 ON2C22H26 AB2C22D26 0.56 5.31 -8.5 -0.04 0
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391033 135002340 1 ClNOC19H22 ABCD19E22 0.51 1.5 -7.99 -0.27 0
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391034 135002349 1 NO4C19H23 AB4C19D23 -117.29 4.4 -8.7 -0.62 0
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391035 135002352 1 NSiH21C23 ABC21D23 67.99 4.93 -9.06 -0.91 0
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391036 135002366 1 SN3O5C17H29 AB3C5D17E29 -216.41 7.71 -9.11 -0.58 0
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391037 135002386 1 N2C23H26 A2B23C26 66.65 1.74 -9.05 0.27 0