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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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125076 50909115 1 BClN3O5C30H37 ABC3D5E30F37 -217.19 7.74 -8.28 -0.46 0
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125077 50909132 1 O6C19H26 A6B19C26 -244.51 4.64 -9.55 0.54 0
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125078 50909286 3 CO2Hg3H5 AB2C3D5 -186.27 4.06 0.0 0.0 0
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125081 50909562 1 CuOSN4C15H16 ABCD4E15F16 84.76 2.76 0.0 0.0 0
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125082 50909563 1 PdN2C6O6H14 AB2C6D6E14 -226.49 5.59 -8.03 0.19 0
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125083 50909564 1 IPdN3C12H28 ABC3D12E28 9.86 6.24 -7.54 0.31 4
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125084 50909565 1 CuN2O3C27H32 AB2C3D27E32 126.08 9.24 0.0 0.0 6
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125085 50909566 1 CoO6C16H20 AB6C16D20 -280.75 6.74 0.0 0.0 2
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125086 50909567 1 CuSN4C15H16 ABC4D15E16 153.31 5.25 0.0 0.0 0
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125088 50909569 1 NiN2P2O6C16H24 AB2C2D6E16F24 -109.71 6.95 -7.61 -3.72 3
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125091 50909572 1 MnN4O4C8H18 AB4C4D8E18 -47.93 6.16 0.0 0.0 -3
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125092 50909576 1 CoN6H15 AB6C15 -7.87 5.04 -7.67 -2.98 2
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125093 50909678 1 ZnO2N7H19C21 AB2C7D19E21 96.36 7.55 -7.02 -1.06 6
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125095 50909707 1 CoSO2N4C14H17 ABC2D4E14F17 -22.74 26.11 -10.49 -5.91 3
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125096 50909712 1 CuSN5C13H20 ABC5D13E20 130.25 3.98 -8.1 -0.24 0
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125097 50909713 1 ZnO2N4H18C19 AB2C4D18E19 54.68 11.07 -5.95 -0.84 1
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125098 50909729 1 HgSO2C22H30 ABC2D22E30 -68.18 8.63 -7.93 -0.21 2
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125099 50909730 1 ZnN4C40H60 AB4C40D60 40.6 11.63 -5.97 -1.3 0
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125102 50909763 1 ZnO2C8H9 AB2C8D9 -32.29 1.92 0.0 0.0 0
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125103 50909764 1 FeCl2H2O8 AB2C2D8 -159.13 4.53 -11.45 -2.78 0
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125104 50909792 1 OSN3C20H23 ABC3D20E23 25.67 5.41 -8.57 -0.63 0
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125105 50909897 1 N2O12C43H68 A2B12C43D68 -553.54 12.79 -9.05 -0.84 0
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125106 50909907 1 SN4O5H12C13 AB4C5D12E13 -73.98 2.58 -9.74 -1.64 6
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125107 50910053 1 NiN4O4C24H32 AB4C4D24E32 -68.42 5.96 -7.28 -0.8 2
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125108 50910176 1 SnO2P2Cl4N6C48H62 AB2C2D4E6F48G62 -77.95 3.28 -7.64 -3.25 2
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125109 50910177 1 NiSN4C10H14 ABC4D10E14 131.33 5.49 -7.47 -0.21 2
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125112 50910304 2 CuN2O4C6H13 AB2C4D6E13 37.03 7.2 -3.23 -3.11 -2
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125113 50910306 1 CuN8H24C40 AB8C24D40 460.87 7.99 0.0 0.0 1
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125114 50910417 1 OPdN2H11C12 ABC2D11E12 91.29 3.34 0.0 0.0 1
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125118 50910421 1 NO2H19C23 AB2C19D23 102.88 4.95 -9.15 -0.48 0
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125119 50910422 1 ZnN4O4C34H36 AB4C4D34E36 -99.51 2.87 -7.48 -1.44 2
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125121 50910424 1 ZnN2S2O4H22C24 AB2C2D4E22F24 57.1 4.26 -7.91 -1.66 4
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125122 50910438 1 NORuSC13H16 ABCDE13F16 57.64 7.69 0.0 0.0 -4
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125123 50910472 1 TiC4Cl4N4O4 AB4C4D4E4 29.63 2.51 -9.35 -3.88 0
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125124 50910473 1 NiSN3O4C8H11 ABC3D4E8F11 -72.97 4.35 -8.49 -0.91 6
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125127 50910716 1 OsO6C30H48 AB6C30D48 -142.84 2.99 -8.36 -2.03 1
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125131 50911165 1 NiN2O4C6H14 AB2C4D6E14 -56.85 0.46 -7.64 -3.74 4
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125134 50911322 1 ClCuS2N3H13C14 ABC2D3E13F14 134.45 3.62 -8.66 -1.17 2
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125135 50911434 1 CuN2O2S4C20H26 AB2C2D4E20F26 97.83 5.25 0.0 0.0 2
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125138 50911443 1 MgN6O7C63H92 AB6C7D63E92 -221.41 5.43 -8.28 -1.44 0
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125139 50911444 1 ClPtO2N3C15H16 ABC2D3E15F16 45.39 8.31 -9.35 -1.92 1
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125140 50911445 1 ClOPtN2H12C14 ABCD2E12F14 77.66 8.77 0.0 0.0 -3
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125142 50911447 1 CuC12N12H20 AB12C12D20 239.32 4.15 0.0 0.0 2
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125144 50911481 1 FeO4C14H16 AB4C14D16 74.76 3.43 -7.69 -0.54 4
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125146 50911507 1 BrCuSN4C14H20 ABCD4E14F20 70.72 3.96 -8.35 -0.6 2
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125147 50911508 1 ClCuOSN4C10H11 ABCDE4F10G11 43.33 5.58 0.0 0.0 6
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125149 50911691 1 ZnN4S4C14H28 AB4C4D14E28 77.12 8.73 -8.47 -1.42 3
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125150 50911692 1 FeN3S6C21H45 AB3C6D21E45 158.87 6.24 -7.78 -0.58 1
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125158 50912290 1 CoH10N10 AB10C10 180.11 10.34 0.0 0.0 0
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125159 50912415 1 FeC12O14H24 AB12C14D24 -665.33 8.1 -8.99 -0.53 0
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125162 50912418 1 ZrO8C28H48 AB8C28D48 -147.93 11.08 -6.67 -2.01 0
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125165 50912677 1 PtS2N6O6C28H30 AB2C6D6E28F30 -18.18 15.6 -8.2 -1.74 0
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125166 50912784 1 NNaS2O3C9H10 ABC2D3E9F10 -164.25 9.69 -8.41 -0.13 0
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125167 50912892 1 N2F3O3C30H31 A2B3C3D30E31 -207.53 10.7 -9.57 -0.81 0
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125168 50912978 2 O7C20H21 A7B20C21 -528.23 2.42 -9.08 -1.17 0
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125169 50912986 1 SCl2N3O3H19C27 AB2C3D3E19F27 -5.9 5.83 -8.65 -1.38 0
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125170 50912987 1 SN6O9C41H54 AB6C9D41E54 -290.05 12.62 -8.61 -0.54 0
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125171 50913066 1 O10N21C62H73 A10B21C62D73 -207.81 11.47 -8.44 -0.66 0
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125172 50913100 1 SO2N4C25H40 AB2C4D25E40 -71.25 5.67 -8.39 -1.43 0
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125173 50913101 1 FSO2N4C23H27 ABC2D4E23F27 -52.84 4.76 -8.61 -1.46 0
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125174 50913197 6 NC3H3 AB3C3 105.73 5.22 -8.7 -0.76 0
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125175 50913236 1 N5O9C47H61 A5B9C47D61 -319.95 4.32 -8.46 -0.74 0
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125176 50913443 1 O3N5C15H19 A3B5C15D19 -8.81 7.64 -9.09 -1.36 0
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125177 50913444 1 ON5C15H21 AB5C15D21 -4.4 4.03 -8.2 -0.32 0
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125178 50913450 1 FON5H16C19 ABC5D16E19 77.51 6.41 -9.55 -1.7 0
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125179 50913469 1 N2O3C24H28 A2B3C24D28 -39.88 2.09 -8.18 -0.02 0
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125180 50913551 1 SN5O7H23C26 AB5C7D23E26 -148.96 8.69 -9.21 -1.29 0
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125181 50913552 1 SO4N6H24C25 AB4C6D24E25 -17.64 8.74 -9.07 -0.75 0
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125182 50913553 1 SO4N6C26H26 AB4C6D26E26 -32.78 6.71 -8.93 -1.09 0
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125183 50913634 1 ClON6C25H25 ABC6D25E25 79.26 10.1 -8.48 -0.81 0
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125184 50913746 1 FN2H9C16 AB2C9D16 92.12 1.77 -9.23 -1.28 0
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125185 50913747 1 FN2H9C16 AB2C9D16 90.77 1.09 -9.24 -1.34 0
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125186 50914116 1 SN6F10O11C45H54 AB6C10D11E45F54 -924.18 6.41 -8.83 -1.61 0
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125187 50914117 1 SF4N6O7C41H52 AB4C6D7E41F52 -448.98 6.94 -8.92 -0.86 0
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125188 50914144 1 ClO2N5C26H42 AB2C5D26E42 -99.72 7.53 -8.62 -0.08 0
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125189 50914196 1 N2O3F6C25H26 A2B3C6D25E26 -413.67 13.99 -8.59 -0.74 0
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125190 50914197 1 ON2F3C23H25 AB2C3D23E25 -131.41 6.29 -9.03 -0.34 0
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125191 50914272 1 SN5O7C43H57 AB5C7D43E57 -250.26 4.28 -8.92 -0.72 0
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125192 50914512 1 O3N5C20H23 A3B5C20D23 -30.88 9.96 -9.14 -0.53 0
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125193 50914513 1 O3N4C27H28 A3B4C27D28 -24.48 1.72 -8.59 -0.48 0
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125194 50914514 1 O3N4C24H30 A3B4C24D30 -63.45 8.8 -8.88 -0.37 0
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125195 50914515 1 F2O3N4C21H22 A2B3C4D21E22 -126.22 5.57 -8.74 -0.98 0
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125196 50914516 1 ClO3N4C22H25 AB3C4D22E25 -64.01 1.39 -8.68 -0.63 0
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125197 50914600 1 ClSN2O3H15C18 ABC2D3E15F18 -56.77 6.24 -8.72 -1.49 0
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125198 50914660 2 N2O2C11H13 A2B2C11D13 -81.11 3.53 -8.7 -0.38 0
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125199 50914679 1 O2C17H18 A2B17C18 -60.4 5.42 -9.37 -0.03 0
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125200 50914728 1 SN5O7H27C28 AB5C7D27E28 -163.4 9.41 -8.88 -1.33 0
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125201 50914783 1 ClN3O3C25H26 AB3C3D25E26 -98.08 1.23 -9.39 -0.98 0
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125202 50914786 1 NO3F5C19H22 AB3C5D19E22 -342.69 4.99 -9.4 -0.68 0
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125203 50914908 1 P3C8O11H19 A3B8C11D19 -699.94 5.4 -10.16 -0.27 0
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125204 50914957 2 ON3H18C19 AB3C18D19 76.59 5.74 -8.7 -0.79 0
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125205 50914992 1 SN6O7C44H62 AB6C7D44E62 -165.62 4.89 -7.16 -1.04 0
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125206 50915054 2 FN3H9C10 AB3C9D10 41.12 7.27 -8.85 -1.04 0
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125207 50915080 1 O4N5H19C25 A4B5C19D25 10.72 7.54 -8.07 -0.84 0
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125208 50915089 2 ON3C19H24 AB3C19D24 -1.88 6.73 -8.65 -0.8 0
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125209 50915261 1 NOC15H21 ABC15D21 -37.09 4.15 -9.05 0.44 0
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125210 50915262 1 NOC15H21 ABC15D21 -31.64 3.56 -9.03 0.57 0
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125211 50915287 1 NO4C20H35 AB4C20D35 -200.13 6.34 -8.57 0.22 0
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125212 50915288 1 N3O4C11H19 A3B4C11D19 -108.12 11.05 -9.0 -0.18 1
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125213 50915289 1 NO6C29H50 AB6C29D50 -284.58 1.64 0.0 0.0 0