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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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34950 7979125 1 SN2O6C18H20 AB2C6D18E20 -237.61 5.32 -9.11 -0.27 0
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34951 7979126 1 ClN2O4H11C17 AB2C4D11E17 -78.85 4.68 -9.28 -1.79 0
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34952 7979127 1 SN2O6C18H20 AB2C6D18E20 -233.64 1.34 -9.16 -0.33 0
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34953 7979128 1 ClSN3O3C19H20 ABC3D3E19F20 -75.47 4.38 -9.18 -1.08 0
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34954 7979129 1 ClN3O4H18C20 AB3C4D18E20 -51.04 2.27 -9.32 -0.78 -1
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34955 7979130 1 NO4H20C23 AB4C20D23 -41.56 4.04 0.0 0.0 0
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34956 7979131 1 FNSO4H20C21 ABCD4E20F21 -161.72 2.4 -9.08 -0.31 0
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34957 7979133 1 FNSO4H20C21 ABCD4E20F21 -159.53 5.24 -9.02 -0.36 0
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34958 7979135 1 FNSO4H20C21 ABCD4E20F21 -161.62 1.6 -9.05 -0.27 0
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34959 7979136 1 ClN3O4C20H20 AB3C4D20E20 -108.51 2.04 -8.27 -0.92 0
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34960 7979137 1 NSO6H19C20 ABC6D19E20 -182.99 3.97 -9.27 -0.83 0
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34961 7979138 1 O3N5H17C22 A3B5C17D22 20.22 3.03 -9.34 -1.09 0
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34962 7979139 1 NSO6H19C20 ABC6D19E20 -186.42 1.0 -9.2 -0.74 0
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34963 7979140 1 O3N4C24H26 A3B4C24D26 -47.15 3.04 -9.36 -1.08 0
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34964 7979141 1 SN2O3C22H24 AB2C3D22E24 -72.87 5.32 -8.95 -0.76 0
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34965 7979142 1 SN3O5C18H21 AB3C5D18E21 -195.94 5.48 -9.34 -0.52 0
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34966 7979143 1 N2O5C11H12 A2B5C11D12 -182.44 4.17 -9.13 -0.4 0
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34967 7979144 1 SN2O3C22H24 AB2C3D22E24 -75.39 7.41 -8.94 -0.87 0
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34968 7979146 1 SN3O5C18H21 AB3C5D18E21 -191.24 4.82 -9.29 -0.41 0
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34969 7979147 1 N4O5H16C17 A4B5C16D17 -63.56 4.18 -9.59 -1.6 0
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34970 7979148 1 N3O5C21H21 A3B5C21D21 -137.82 4.02 -8.34 -0.57 0
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34971 7979149 1 NO6C18H19 AB6C18D19 -193.79 5.11 -8.16 -0.85 0
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34972 7979151 1 SN2O4C22H22 AB2C4D22E22 -125.22 6.49 -8.7 -0.58 0
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34973 7979152 1 BrFN2O3H14C16 ABC2D3E14F16 -98.4 3.24 -9.46 -0.79 0
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34974 7979153 1 N2O4H14C17 A2B4C14D17 -83.08 6.68 -9.3 -1.2 0
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34975 7979154 1 SN2O4C22H22 AB2C4D22E22 -124.87 7.1 -8.62 -0.62 0
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34976 7979155 1 SN2O4C22H22 AB2C4D22E22 -122.64 5.01 -8.83 -0.5 0
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34977 7979157 1 SN2O4C21H26 AB2C4D21E26 -169.09 6.23 -9.36 -0.53 0
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34978 7979158 1 SN2O2C16H18 AB2C2D16E18 -33.22 1.79 -9.16 -0.25 0
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34979 7979159 1 BrFN2O2H14C17 ABC2D2E14F17 -50.01 1.39 -9.42 -1.03 0
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34980 7979160 1 SN2O4C21H26 AB2C4D21E26 -166.55 5.93 -9.33 -0.49 0
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34981 7979161 2 NOSC9H9 ABCD9E9 -15.47 1.03 -9.09 -0.78 0
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34982 7979162 1 SN2O4C20H24 AB2C4D20E24 -150.36 6.46 -9.28 -0.46 0
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34983 7979163 1 SN2O2C17H18 AB2C2D17E18 -24.62 1.62 -8.78 -0.61 0
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34984 7979164 3 NOC5H7 ABC5D7 -114.71 4.82 -9.43 -0.42 0
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34985 7979165 1 SN2O4C20H24 AB2C4D20E24 -153.0 4.2 -9.2 -0.44 0
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34986 7979166 3 NOC5H7 ABC5D7 -117.4 2.49 -9.49 -0.28 0
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34987 7979167 1 SN2O4C20H24 AB2C4D20E24 -152.02 2.83 -9.19 -0.36 0
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34988 7979168 1 SN3O5C16H17 AB3C5D16E17 -136.54 5.54 -9.56 -0.98 0
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34989 7979169 2 NO2H9C10 AB2C9D10 -58.8 1.61 -9.1 -0.81 0
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34990 7979171 1 NSO4C24H25 ABC4D24E25 -125.26 2.6 -9.2 -0.39 0
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34991 7979172 1 BrN2O2H15C17 AB2C2D15E17 -2.8 1.97 -8.98 -1.06 0
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34992 7979173 1 SN3O5C18H21 AB3C5D18E21 -190.06 3.61 -9.05 -0.2 0
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34993 7979174 1 N3O4C15H15 A3B4C15D15 -87.42 4.97 -9.27 -0.62 0
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34994 7979175 1 SN3O5C18H21 AB3C5D18E21 -197.36 3.13 -9.31 -0.46 0
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34995 7979176 1 SN2O4C17H18 AB2C4D17E18 -103.27 7.08 -9.16 -0.68 0
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34996 7979177 1 SN3O5C18H21 AB3C5D18E21 -195.24 5.26 -9.31 -0.49 0
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34997 7979178 3 NOC7H9 ABC7D9 -118.27 3.97 -9.56 -0.46 0
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34998 7979179 1 SN2O4C22H28 AB2C4D22E28 -171.96 4.91 -9.31 -0.42 0
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34999 7979180 1 SN2O4C22H28 AB2C4D22E28 -170.14 5.0 -9.29 -0.45 0
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35000 7979181 1 NF2O2H11C14 AB2C2D11E14 -125.61 3.6 -8.76 -1.16 0
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35001 7979182 1 SN3O3C20H23 AB3C3D20E23 -69.7 6.15 -8.46 -0.67 0
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35002 7979183 1 SN2O4C22H28 AB2C4D22E28 -170.34 5.01 -9.3 -0.48 0
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35003 7979184 1 N2O4H22C23 A2B4C22D23 -67.67 3.37 -8.67 -0.46 0
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35004 7979185 1 SN2O4C22H28 AB2C4D22E28 -171.13 5.04 -9.3 -0.44 0
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35005 7979186 1 NSO4C23H23 ABC4D23E23 -127.8 3.79 -8.99 -0.49 0
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35006 7979187 1 IN2O2H13C15 AB2C2D13E15 0.2 2.7 -9.13 -1.18 0
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35007 7979188 1 NSO4C23H23 ABC4D23E23 -124.7 3.83 -9.1 -0.34 0
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35008 7979189 1 ClN2O3C19H21 AB2C3D19E21 -89.38 3.39 -8.71 -0.49 0
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35009 7979190 1 NSO4C23H23 ABC4D23E23 -122.17 2.42 -9.11 -0.32 0
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35010 7979191 1 N3O3C17H17 A3B3C17D17 -58.41 4.67 -9.32 -0.58 0
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35011 7979192 1 NSO4C23H23 ABC4D23E23 -126.7 4.17 -9.09 -0.48 0
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35012 7979193 1 N2O4C19H22 A2B4C19D22 -109.1 2.3 -8.17 -0.32 0
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35013 7979194 1 SN2O4C16H18 AB2C4D16E18 -153.79 6.14 -9.39 -0.55 0
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35014 7979195 1 N2O3C19H22 A2B3C19D22 -80.72 2.28 -8.77 -0.41 0
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35015 7979196 1 SN2O4C16H18 AB2C4D16E18 -153.15 2.71 -9.26 -0.39 0
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35016 7979197 1 ClSN2O2H17C20 ABC2D2E17F20 -5.86 1.57 -8.86 -1.17 0
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35017 7979199 1 SN2O4C16H18 AB2C4D16E18 -149.36 5.13 -9.33 -0.48 0
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35018 7979200 1 N2O2C17H18 A2B2C17D18 -38.81 1.72 -9.27 -0.34 0
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35019 7979201 1 N2O5C18H20 A2B5C18D20 -133.76 2.26 -8.93 -0.43 0
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35020 7979202 1 SN2O3C16H16 AB2C3D16E16 -74.47 3.61 -9.34 -0.41 0
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35021 7979203 1 SN2O3C16H16 AB2C3D16E16 -74.4 4.51 -9.24 -0.38 0
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35022 7979204 1 SN2O3C16H16 AB2C3D16E16 -72.71 4.33 -9.27 -0.42 0
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35023 7979205 1 BrN2O3C18H19 AB2C3D18E19 -69.52 4.09 -8.9 -0.55 0
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35024 7979206 1 SN2O3C16H16 AB2C3D16E16 -74.11 5.13 -9.32 -0.5 0
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35025 7979207 2 NOC9H10 ABC9D10 -38.16 1.84 -9.52 -0.35 0
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35026 7979208 1 SN3O5C20H25 AB3C5D20E25 -206.7 2.38 -9.1 -0.25 0
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35027 7979209 2 NOC9H10 ABC9D10 -37.05 1.62 -9.12 -0.4 0
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35028 7979210 1 SN3O5C20H25 AB3C5D20E25 -203.47 4.85 -9.24 -0.42 0
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35029 7979211 1 SN3O5C20H25 AB3C5D20E25 -207.88 3.09 -9.34 -0.47 0
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35030 7979212 1 N2O2F3H15C18 A2B2C3D15E18 -168.39 3.97 -9.43 -1.18 0
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35031 7979215 1 N2O4C19H20 A2B4C19D20 -90.33 2.99 -8.78 -0.57 0
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35032 7979216 1 SN3O5C19H23 AB3C5D19E23 -200.39 4.02 -9.34 -0.5 0
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35033 7979217 1 N3O4C21H21 A3B4C21D21 -54.77 3.88 -9.32 -0.44 0
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35034 7979218 1 SN3O5C19H23 AB3C5D19E23 -200.3 2.86 -9.25 -0.43 0
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35035 7979219 1 BrSN2O2C17H17 ABC2D2E17F17 -27.45 2.99 -9.1 -0.82 0
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35036 7979220 1 SN3O5C19H23 AB3C5D19E23 -203.22 2.26 -9.26 -0.42 0
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35037 7979221 1 SN3O5C19H23 AB3C5D19E23 -203.46 9.33 -9.56 -0.72 0
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35038 7979222 1 N3O3H21C25 A3B3C21D25 -7.13 4.18 -8.74 -1.04 0
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35039 7979223 1 SN3O5C19H23 AB3C5D19E23 -199.68 7.98 -9.42 -0.55 0
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35040 7979224 1 SN3O5C20H23 AB3C5D20E23 -147.81 6.26 -9.42 -0.9 0
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35041 7979225 1 SN3O5C19H23 AB3C5D19E23 -198.57 5.67 -9.1 -0.29 0
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35042 7979226 1 SN3O3C20H23 AB3C3D20E23 -81.92 5.73 -9.04 -0.8 0
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35043 7979227 1 SN3O5C19H23 AB3C5D19E23 -197.33 6.78 -9.37 -0.54 0
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35044 7979228 1 N3O4C21H21 A3B4C21D21 -52.01 3.47 -9.2 -0.56 0
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35045 7979229 1 SN2O4C19H22 AB2C4D19E22 -134.68 4.94 -9.33 -0.45 0
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35046 7979230 1 SN3O4C21H27 AB3C4D21E27 -133.23 4.79 -9.36 -0.45 0
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35047 7979231 1 SN2O4C19H22 AB2C4D19E22 -135.11 5.99 -9.51 -0.6 0
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35048 7979232 1 SN3O4C21H27 AB3C4D21E27 -129.49 4.68 -9.13 -0.67 0
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35049 7979233 1 SN2O4C19H22 AB2C4D19E22 -133.34 6.35 -9.37 -0.54 0