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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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449059 135295634 1 NO2C16H19 AB2C16D19 -53.76 3.96 -7.99 0.25 0
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449060 135295637 1 SN2O2C24H30 AB2C2D24E30 -21.44 6.44 -7.92 0.0 0
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449061 135295669 1 OF2N4H22C25 AB2C4D22E25 -19.49 3.43 -8.61 -1.0 0
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449062 135295680 1 SN2O2C23H24 AB2C2D23E24 -4.25 4.48 -8.18 -0.63 0
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449063 135295682 1 N2O3C23H30 A2B3C23D30 -70.02 1.97 -8.25 -0.27 0
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449064 135295684 1 OF2N2C26H26 AB2C2D26E26 -62.55 6.39 -8.4 -0.74 0
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449065 135295690 1 F3N3O3C33H38 A3B3C3D33E38 -178.13 6.38 -8.41 -0.44 0
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449066 135295711 2 N2H15C17 A2B15C17 161.27 4.68 -9.28 -1.26 1
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449067 135295726 1 S2N3H14C18 A2B3C14D18 115.28 6.79 0.0 0.0 1
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449068 135295729 1 SN3H18C20 AB3C18D20 100.77 5.25 0.0 0.0 0
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449069 135295745 1 SN2O6H18C37 AB2C6D18E37 239.91 10.32 -9.36 -1.64 0
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449070 135295748 2 O9C11H17 A9B11C17 -805.36 3.6 -10.49 -0.86 0
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449071 135295753 1 OF3N6H25C27 AB3C6D25E27 -46.18 7.39 -8.43 -0.64 0
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449072 135295776 1 NOH35C49 ABC35D49 154.31 1.01 -7.91 -0.67 0
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449073 135295790 1 NOH37C56 ABC37D56 204.08 2.08 -8.01 -0.64 0
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449074 135295792 1 NOH33C50 ABC33D50 180.54 1.03 -8.06 -0.64 0
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449075 135295823 1 BrOH17C28 ABC17D28 95.86 1.3 -8.8 -0.8 0
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449076 135295831 1 BrOH17C28 ABC17D28 86.99 1.59 -8.86 -0.78 0
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449077 135295848 1 NH21C28 AB21C28 112.72 0.83 -8.35 -0.47 0
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449078 135295877 1 ClPN4O5C12H20 ABC4D5E12F20 -274.57 7.46 -9.33 -0.58 0
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449079 135295890 1 ClPO5N7C17H27 ABC5D7E17F27 -232.74 7.75 -8.97 -0.37 0
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449080 135295893 1 N3O3C10H15 A3B3C10D15 -125.64 5.69 -9.52 -0.56 0
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449081 135295895 1 PO7N9C24H38 AB7C9D24E38 -313.24 7.46 -9.33 -0.72 0
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449082 135295901 1 ClPO4N7C20H25 ABC4D7E20F25 -134.74 3.8 -9.04 -0.97 0
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449083 135295903 1 PO8N10C27H41 AB8C10D27E41 -339.58 10.78 -9.16 -0.61 0
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449084 135295906 1 ClPO5N7C17H27 ABC5D7E17F27 -231.76 8.4 -8.78 -0.11 0
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449085 135295907 1 PO7N10C31H41 AB7C10D31E41 -251.93 1.74 -9.38 -0.88 0
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449086 135295918 1 N2O3H20C22 A2B3C20D22 -36.56 2.09 -9.11 -0.71 0
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449087 135295926 1 NSO2H17C20 ABC2D17E20 6.96 2.6 -9.08 -0.74 0
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449088 135295938 1 ON3C8H15 AB3C8D15 -8.55 2.19 -8.81 0.22 0
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449089 135295947 1 ON3C9H17 AB3C9D17 -39.68 2.87 -9.9 0.32 0
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449090 135295951 1 N3C11H17 A3B11C17 52.13 2.05 -9.77 0.45 0
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449091 135295953 1 NOC10H15 ABC10D15 -23.73 1.58 -9.11 -0.18 0
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449092 135295955 1 N2O2C11H18 A2B2C11D18 -84.25 4.09 -9.62 -0.21 0
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449093 135295958 1 NOC10H15 ABC10D15 -24.21 1.54 -9.15 0.04 0
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449094 135295959 1 NOC11H19 ABC11D19 -52.41 0.92 -9.36 0.47 0
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449095 135295965 2 NC6H11 AB6C11 -8.28 2.76 -8.96 1.01 0
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449096 135295966 1 NC12H15 AB12C15 45.94 2.49 -9.54 0.02 0
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449097 135295970 1 NO2C12H17 AB2C12D17 -73.59 4.82 -9.27 -0.2 0
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449098 135295974 1 ON3C12H19 AB3C12D19 -38.29 3.08 -9.14 -0.43 0
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449099 135295982 1 N2C11H16 A2B11C16 67.6 1.55 -9.23 0.74 0
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449103 135296000 1 OF2N6H20C24 AB2C6D20E24 39.77 4.95 -9.97 -1.1 0
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449104 135296002 1 SN3O4H15C18 AB3C4D15E18 -40.66 2.73 -8.39 -1.22 0
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449105 135296016 1 SN2O6H20C21 AB2C6D20E21 -121.92 5.85 -8.2 -0.78 0
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449107 135296021 1 F2N7H21C24 A2B7C21D24 84.69 8.42 -9.6 -1.04 0
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449108 135296028 1 NSO2C6H13 ABC2D6E13 -96.46 0.23 -8.89 0.46 0
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449114 135296074 1 OF2N6H24C26 AB2C6D24E26 27.37 4.44 -9.53 -1.03 0
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449120 135296141 1 N6C17H26 A6B17C26 79.44 3.91 -9.04 0.46 0
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449121 135296142 1 O2S2N3C7H11 A2B2C3D7E11 -23.67 5.9 -8.65 0.04 2
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449122 135296153 2 ON2C24H41 AB2C24D41 -70.2 22.09 -4.14 -0.64 2
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449123 135296156 2 ON2C24H41 AB2C24D41 -84.41 17.16 -5.46 -0.78 0
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449124 135296161 1 N9C36H59 A9B36C59 47.48 5.86 -8.26 0.86 0
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449125 135296181 1 SN3C20H25 AB3C20D25 66.86 2.8 -8.96 -0.23 0
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449126 135296187 1 SO4C18H26 AB4C18D26 -201.22 7.04 -9.11 -0.32 0
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449127 135296190 2 NOC6H6 ABC6D6 -28.67 6.98 -9.2 -1.01 0
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449128 135296196 1 FO2N3H8C10 AB2C3D8E10 -41.77 5.65 -9.74 -1.49 0
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449129 135296206 1 OPH25C26 ABC25D26 4.43 3.7 -8.31 -0.16 0
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449130 135296211 1 OPH21C24 ABC21D24 7.84 4.4 -8.46 -0.3 0
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449131 135296222 1 F3O3N6H27C29 A3B3C6D27E29 -138.25 10.1 -8.84 -0.78 0
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449132 135296234 1 SF3O3N5H22C26 AB3C3D5E22F26 -132.58 9.08 -9.0 -0.94 0
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449133 135296249 1 SO4C8H10 AB4C8D10 -149.67 4.63 -9.19 -0.1 0
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449134 135296252 1 O11C13H24 A11B13C24 -509.89 1.7 -10.51 0.56 0
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449135 135296265 1 O2F3N4H21C25 A2B3C4D21E25 -110.69 5.14 -9.13 -0.93 0
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449136 135296272 1 SF3N3O3H18C24 AB3C3D3E18F24 -143.16 5.49 -9.17 -0.92 0
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449137 135296276 1 FO2N4H27C31 AB2C4D27E31 22.74 6.15 -8.92 -0.76 0
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449138 135296278 1 O2F3N5H22C26 A2B3C5D22E26 -89.18 5.5 -8.72 -0.73 0
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449139 135296281 1 O3N4C29H30 A3B4C29D30 -42.48 6.27 -8.78 -0.37 0
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449140 135296286 1 N4O4C37H62 A4B4C37D62 -216.79 11.64 -9.14 0.15 0
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449141 135296298 1 FN5H26C30 AB5C26D30 113.17 7.87 -8.23 -1.61 0
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449142 135296309 1 FN5H28C35 AB5C28D35 152.25 3.03 -8.33 -1.72 0
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449143 135296333 1 FON7H30C32 ABC7D30E32 84.56 1.4 -8.29 -1.67 0
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449144 135296334 1 FN2O3C15H17 AB2C3D15E17 -119.55 3.15 -9.07 -0.37 0
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449145 135296345 1 FSO2N8C20H23 ABC2D8E20F23 -19.73 7.7 -8.56 -1.08 0
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449146 135296348 1 IN3O3C14H22 AB3C3D14E22 -131.6 5.0 -8.46 -1.12 0
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449147 135296357 2 NO3C12H20 AB3C12D20 -185.01 7.87 -9.62 0.23 0
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449148 135296371 1 ClFN3O5H45C47 ABC3D5E45F47 -106.01 3.59 -8.69 -1.09 0
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449149 135296376 1 N2C19H36 A2B19C36 -11.8 3.5 -8.6 1.78 0
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449150 135296388 1 ISO5N8H37C38 ABC5D8E37F38 -29.13 7.15 -9.11 -1.43 0
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449151 135296397 1 NO3C47H53 AB3C47D53 -18.08 3.27 -8.08 0.13 0
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449152 135296399 1 BrSN2O3C25H25 ABC2D3E25F25 -23.9 6.78 -8.44 -0.98 0
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449153 135296413 1 SO2F3N7H16C20 AB2C3D7E16F20 -83.6 9.02 -9.69 -1.73 0
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449154 135296441 1 N3O5C10H11 A3B5C10D11 -103.75 4.62 -10.04 -1.23 0
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449155 135296444 1 N3O5C16H23 A3B5C16D23 -185.68 9.19 -9.78 -0.81 1
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449156 135296451 1 N2O3C7H9 A2B3C7D9 -25.68 3.8 0.0 0.0 0
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449157 135296454 1 ON4C25H32 AB4C25D32 17.08 4.77 -8.22 0.11 0
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449158 135296456 1 O5N6C30H32 A5B6C30D32 -66.73 5.39 -8.77 -1.75 0
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449159 135296464 1 N5O5C29H37 A5B5C29D37 -160.35 4.73 -8.82 -0.84 0
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449160 135296465 2 NO3C9H18 AB3C9D18 -289.03 3.3 -9.59 1.08 0
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449161 135296474 1 ON3C14H29 AB3C14D29 -38.67 0.8 -8.16 1.76 0
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449162 135296480 1 N3O3S4C23H43 A3B3C4D23E43 -139.56 6.79 -8.78 -0.24 0
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449163 135296493 1 N3O4C13H19 A3B4C13D19 -194.51 4.57 -9.61 -0.49 0
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449164 135296494 1 N3O3C14H19 A3B3C14D19 -132.12 3.53 -9.34 -0.27 0
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449165 135296496 1 N3O5C19H23 A3B5C19D23 -184.58 8.61 -8.66 -0.69 0
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449166 135296501 2 NO4C11H23 AB4C11D23 -381.75 5.68 -9.35 1.23 0
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449167 135296506 1 SN4O9C32H40 AB4C9D32E40 -341.72 11.17 -9.53 -1.47 0
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449168 135296522 1 F2O4N5C29H29 A2B4C5D29E29 -169.02 3.98 -8.78 -1.52 0
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449169 135296525 2 O2N3C20H26 A2B3C20D26 -71.6 5.97 -8.55 -1.09 0
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449170 135296528 1 O5N6C30H30 A5B6C30D30 -55.82 11.47 -8.83 -1.43 0
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449171 135296530 4 NOC6H7 ABC6D7 -105.22 2.8 -8.56 -0.96 0
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449172 135296539 1 F2N4O4H28C29 A2B4C4D28E29 -154.49 4.31 -8.8 -1.52 0