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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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84093 49864113 1 OCl2N6H22C23 AB2C6D22E23 65.43 6.31 -9.11 -1.41 0
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84094 49864114 1 FNO3H14C17 ABC3D14E17 -118.27 4.55 -8.67 -1.16 0
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84095 49864119 1 O7C26H34 A7B26C34 -288.04 6.65 -9.54 -1.8 0
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84096 49864138 1 O5C21H24 A5B21C24 -177.57 9.04 -9.51 -1.63 0
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84097 49864146 1 BrO3N5C15H20 AB3C5D15E20 -63.46 7.83 -9.18 -1.42 0
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84098 49864147 1 NF3O3H12C18 AB3C3D12E18 -219.02 7.09 -9.0 -1.46 0
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84099 49864156 2 NO2C7H14 AB2C7D14 -177.88 1.42 -8.89 0.08 0
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84100 49864164 1 NO8C29H37 AB8C29D37 -268.87 18.98 -8.75 -1.43 0
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84101 49864171 1 NO3C20H21 AB3C20D21 -78.34 3.15 -8.7 -1.36 0
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84102 49864183 1 FNO4H12C17 ABC4D12E17 -142.75 5.39 -8.83 -1.32 0
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84103 49864190 1 NO3C24H29 AB3C24D29 -99.05 1.51 -8.77 -1.35 0
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84104 49864191 1 ClNO3H16C18 ABC3D16E18 -83.23 5.99 -9.19 -1.57 0
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84105 49864193 1 NO2C30H43 AB2C30D43 -104.51 4.87 -9.09 -0.2 0
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84106 49864195 1 ClON7H20C21 ABC7D20E21 101.58 6.75 -9.64 -1.59 0
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84107 49864218 1 BrCl2O4N6C57H85 AB2C4D6E57F85 -173.75 7.14 -7.31 -0.05 0
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84108 49864223 1 ClN2O3C40H63 AB2C3D40E63 -206.01 13.81 -8.01 -1.0 0
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84109 49864255 1 F3N4O11C43H69 A3B4C11D43E69 -677.76 5.27 -8.55 -0.35 0
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84110 49864256 1 N5O13C42H69 A5B13C42D69 -539.54 2.74 -8.75 -0.92 0
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84111 49864262 1 N4O11C42H66 A4B11C42D66 -460.18 7.09 -8.94 -0.38 0
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84112 49864263 1 N5O11C43H67 A5B11C43D67 -433.95 15.26 -8.75 0.08 0
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84113 49864264 1 N5O11C45H71 A5B11C45D71 -492.09 4.75 -8.24 -0.54 0
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84114 49864280 1 N3O5H15C16 A3B5C15D16 -121.47 6.99 -9.21 -1.09 0
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84115 49864287 1 N2O3C29H36 A2B3C29D36 -101.94 5.82 -8.71 -0.98 0
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84116 49864289 1 SO2N3C25H29 AB2C3D25E29 1.09 5.47 -8.08 -0.98 0
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84117 49864300 1 N5O5C17H25 A5B5C17D25 -203.81 8.33 -9.31 -0.3 0
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84118 49864301 1 N6O7C20H32 A6B7C20D32 -309.59 5.52 -8.96 0.03 0
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84119 49864307 1 ClS2N4O6C23H27 AB2C4D6E23F27 -217.74 10.93 -8.64 -0.42 0
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84120 49864320 1 OSN6H18C20 ABC6D18E20 110.24 5.45 -8.98 -1.28 0
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84121 49864321 1 ION6C18H19 ABC6D18E19 110.9 6.13 -8.43 -1.25 0
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84122 49864322 1 N4O7C20H30 A4B7C20D30 -310.47 6.75 -9.18 -0.18 0
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84123 49864323 1 SN3O5C16H23 AB3C5D16E23 -208.1 7.65 -8.72 -0.18 0
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84124 49864326 1 N3O7C10H15 A3B7C10D15 -256.55 1.93 -10.37 -1.16 0
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84125 49864328 1 ClFO3N4H20C23 ABC3D4E20F23 -106.67 3.24 -8.85 -0.81 0
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84126 49864329 1 ClFN4O4H22C25 ABC4D4E22F25 -154.76 4.64 -8.94 -0.86 0
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84127 49864330 1 ClON3H20C23 ABC3D20E23 38.94 6.48 -8.54 -0.51 0
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84128 49864365 1 FN3O5C21H26 AB3C5D21E26 -254.69 6.57 -8.72 -0.42 0
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84129 49864431 1 O3N6C14H24 A3B6C14D24 -125.17 6.5 -9.11 0.34 0
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84130 49864433 1 N5O5C10H19 A5B5C10D19 -230.59 2.05 -9.96 -0.17 0
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84131 49864435 1 ClFO3N4H26C27 ABC3D4E26F27 -91.62 5.7 -8.95 -0.94 0
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84132 49864458 1 ClFSO3N4H24C28 ABCD3E4F24G28 -77.21 5.44 -8.83 -0.78 0
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84133 49864476 2 SO11N14C49H79 AB11C14D49E79 -1028.72 2.72 -8.67 -0.41 0
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84134 49864477 1 N3O4C10H19 A3B4C10D19 -202.56 4.61 -10.07 0.13 1
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84138 49864494 1 N2O3C10H20 A2B3C10D20 -163.81 5.41 -9.68 0.27 0
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84139 49864501 1 SCl2N3O5H23C26 AB2C3D5E23F26 -159.74 6.82 -9.4 -1.25 0
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84140 49864504 1 NSiO5C29H35 ABC5D29E35 -195.61 4.77 -8.47 -0.64 0
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84141 49864508 1 BrO5H17C19 AB5C17D19 -132.46 3.33 -8.7 -1.43 0
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84142 49864520 1 ClN2O2C5H11 AB2C2D5E11 -116.61 4.46 -9.43 0.52 0
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84143 49864561 1 SN43O48C152H223 AB43C48D152E223 -2030.26 18.01 -8.39 -1.19 0
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84145 49864576 1 SN42O50C155H224 AB42C50D155E224 -2108.52 8.06 -8.64 -1.38 0
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84147 49864581 1 N3O16C24H41 A3B16C24D41 -740.28 7.39 -9.9 0.16 0
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84148 49864587 2 SN6O20C34H57 AB6C20D34E57 -1810.97 14.55 -8.87 -0.78 0
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84149 49864590 2 SN6O20C37H63 AB6C20D37E63 -1835.26 23.57 -9.08 -0.6 0
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84150 49864591 2 SN6O21C35H59 AB6C21D35E59 -1877.06 12.19 -8.72 -0.51 0
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84151 49864602 1 SO2N3C20H27 AB2C3D20E27 -37.24 5.52 -8.23 -0.47 0
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84152 49864612 1 NSO11C18H25 ABC11D18E25 -510.99 6.91 -9.83 -0.5 0
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84153 49864613 1 N3O6C16H29 A3B6C16D29 -314.11 5.61 -9.89 0.1 0
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84154 49864624 1 N5O17C55H89 A5B17C55D89 -822.44 13.29 -9.07 -0.94 0
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84155 49864625 1 N5O17C56H91 A5B17C56D91 -813.78 9.3 -8.38 -0.38 0
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84156 49864631 1 FN4O17C56H87 AB4C17D56E87 -814.47 18.04 -9.03 -0.91 0
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84157 49864639 1 N5O16C54H89 A5B16C54D89 -729.78 10.96 -8.44 -0.63 0
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84158 49864649 1 ClN5O16C58H94 AB5C16D58E94 -739.11 6.21 -8.62 -0.98 0
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84159 49864654 1 ClN5O17C57H88 AB5C17D57E88 -772.77 6.61 -8.63 -1.05 0
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84160 49864665 1 ON3C25H29 AB3C25D29 16.33 4.54 -8.33 -0.62 0
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84161 49864680 1 N3O4C15H29 A3B4C15D29 -227.45 8.19 -9.97 0.52 0
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84162 49864682 1 SO4N6C20H32 AB4C6D20E32 -158.59 3.38 -8.71 0.1 0
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84163 49864688 1 ON3C25H29 AB3C25D29 16.04 4.19 -8.35 -0.57 0
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84164 49864690 1 ClON3C21H26 ABC3D21E26 -10.66 4.57 -8.35 -0.47 0
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84165 49864708 1 FPSN6O12C33H38 ABCD6E12F33G38 -486.66 14.26 -9.41 -1.48 0
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84166 49864709 1 FSN6O12C34H37 ABC6D12E34F37 -426.5 2.7 -8.93 -1.14 0
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84167 49864710 1 FSN6O12C37H41 ABC6D12E37F41 -433.79 3.12 -9.05 -1.12 0
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84168 49864715 1 F2O14H26C35 A2B14C26D35 -568.77 4.29 -8.96 -1.37 0
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84169 49864723 1 SO2N3C24H29 AB2C3D24E29 -22.38 6.77 -8.24 -0.92 0
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84170 49864729 1 ClN4O4C19H27 AB4C4D19E27 -171.27 5.65 -8.8 -0.34 0
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84171 49864734 1 O5C28H44 A5B28C44 -246.91 7.38 -9.69 0.72 0
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84172 49864736 1 N2O3C13H26 A2B3C13D26 -174.99 5.22 -9.44 0.2 0