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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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309075 126536260 1 N2O4C27H28 A2B4C27D28 -26.14 7.47 -8.36 -1.2 0
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309076 126536289 1 N4O4C23H26 A4B4C23D26 -63.44 5.71 -8.85 -0.85 0
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309077 126536308 3 NC6H9 AB6C9 26.42 3.46 -7.6 0.19 0
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309078 126536352 1 ON6C17H22 AB6C17D22 42.89 7.26 -8.94 -1.32 0
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309079 126536368 1 OCl2N2C8H10 AB2C2D8E10 -17.87 4.23 -10.02 -1.19 0
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309080 126536383 1 ClNOC13H18 ABCD13E18 -40.34 3.01 -8.47 0.22 0
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309081 126536418 1 OSF2N5C23H29 ABC2D5E23F29 -101.01 9.75 -8.45 -0.87 1
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309082 126536425 1 P4S6O7C19H41 A4B6C7D19E41 -552.73 8.02 0.0 0.0 0
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309083 126536426 1 SN2O5C6H8 AB2C5D6E8 -70.04 8.54 -10.44 -1.51 0
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309084 126536494 1 ClO2N4C14H25 AB2C4D14E25 -91.91 4.0 -8.76 0.04 0
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309085 126536532 1 O6F12C33H38 A6B12C33D38 -881.91 5.2 -10.56 -0.74 0
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309086 126536619 1 ISO2C7H9 ABC2D7E9 -57.61 1.48 -9.13 -0.98 0
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309087 126536658 1 ON5H35C60 AB5C35D60 305.09 4.25 -8.71 -1.08 0
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309088 126536681 1 ClN2H19C33 AB2C19D33 168.14 4.72 -8.91 -1.22 0
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309089 126536688 1 N2H28C45 A2B28C45 217.01 3.29 -8.79 -1.13 0
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309090 126536694 2 NH14C22 AB14C22 277.98 2.71 -8.38 -1.05 0
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309091 126536697 4 NH8C13 AB8C13 276.65 4.62 -8.78 -1.2 0
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309092 126536716 1 NOC9H11 ABC9D11 16.97 3.12 -8.96 -0.49 0
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309093 126536728 1 OSF3N5C25H32 ABC3D5E25F32 -156.9 5.24 -8.3 -0.96 0
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309094 126536743 1 N3H29C39 A3B29C39 166.56 2.97 -8.66 -0.95 0
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309095 126536745 1 N2H28C45 A2B28C45 223.52 5.08 -8.78 -1.0 0
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309096 126536882 1 SO2N5C23H31 AB2C5D23E31 -38.39 3.14 -8.45 -0.84 0
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309097 126536997 1 NO3C13H23 AB3C13D23 -147.15 1.92 -9.37 0.92 0
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309098 126537039 1 N2H32C53 A2B32C53 259.91 2.76 -8.25 -1.07 0
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309099 126537067 1 N2H24C39 A2B24C39 198.48 2.42 -8.63 -0.85 0
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309100 126537088 1 ClF3N3H9C10 AB3C3D9E10 -81.58 1.98 -9.02 -0.72 0
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309101 126537108 1 ClO2F3N7H33C34 AB2C3D7E33F34 -51.95 8.32 -7.33 -0.83 0
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309102 126537134 1 ClFO2N7C28H33 ABC2D7E28F33 -27.24 1.51 -9.17 -1.03 0
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309103 126537183 2 NH18C27 AB18C27 232.62 2.9 -8.78 -1.07 0
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309104 126537196 1 N4H36C51 A4B36C51 241.8 4.0 -8.47 -0.96 0
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309105 126537237 1 ClN3C10H10 AB3C10D10 67.54 5.9 -9.18 -0.8 0
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309106 126537248 1 ION2C18H19 ABC2D18E19 21.25 5.05 -8.44 -1.35 0
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309107 126537276 1 O2N5C25H35 A2B5C25D35 -34.89 4.12 -8.33 -0.37 0
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309108 126537293 1 N3H27C46 A3B27C46 243.06 3.92 -8.63 -1.18 0
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309109 126537346 1 FN4O4H17C20 AB4C4D17E20 -52.48 8.2 -9.24 -1.43 0
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309110 126537395 1 ON7C24H35 AB7C24D35 18.51 3.18 -8.48 -0.38 0
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309111 126537435 1 F2O2N3C21H21 A2B2C3D21E21 -119.59 7.71 -9.34 -0.85 0
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309112 126537484 1 PN2O20C96H183 AB2C20D96E183 -1343.3 8.97 -10.01 0.15 0
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309114 126537663 1 N2O4C21H32 A2B4C21D32 -200.99 4.08 -9.44 0.05 0
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309115 126537724 1 NSO2C8H13 ABC2D8E13 -68.41 7.08 -9.61 0.2 0
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309116 126537743 1 ClON6H13C17 ABC6D13E17 95.81 2.57 -8.7 -1.36 0
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309117 126537822 1 PN2O8C14H21 AB2C8D14E21 -392.55 4.03 -10.12 -0.56 0
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309118 126537831 1 FSN2O2C21H23 ABC2D2E21F23 -76.83 4.49 -8.15 -0.77 0
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309119 126537843 1 SN3O5H19C20 AB3C5D19E20 -131.48 5.4 -8.56 -1.03 0
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309120 126537899 1 FN5C18H18 AB5C18D18 59.03 0.67 -8.43 -0.37 0
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309121 126537900 1 F2N6H12C17 A2B6C12D17 35.11 4.8 -8.94 -0.99 0
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309122 126537912 1 N2O3H20C21 A2B3C20D21 -74.25 4.28 -8.76 -1.02 0
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309123 126537935 1 NC22H35 AB22C35 -26.9 2.24 -8.43 0.47 0
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309124 126537939 1 NH21C22 AB21C22 88.96 1.45 -8.09 -0.6 0
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309125 126537977 1 N3O17C47H75 A3B17C47D75 -750.75 5.88 -9.43 0.07 0
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309126 126538004 1 NC30H39 AB30C39 26.23 5.07 -7.38 -0.2 0
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309127 126538010 1 N2O5C28H38 A2B5C28D38 -195.87 10.64 -8.67 -0.8 0
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309128 126538022 1 F3O4C15H19 A3B4C15D19 -333.47 2.88 -10.69 -0.24 0
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309129 126538029 1 ClNC20H28 ABC20D28 -20.86 2.95 -9.19 -0.44 0
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309130 126538084 1 NO4C7H9 AB4C7D9 -164.59 4.94 -10.99 -0.97 0
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309131 126538151 1 NO6C26H33 AB6C26D33 -247.48 10.82 -8.97 -1.19 0
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309133 126538211 1 N2O5C27H34 A2B5C27D34 -189.43 13.29 -8.91 -1.14 0
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309134 126538244 1 SO3H18C23 AB3C18D23 -11.0 4.07 -8.29 -0.56 0
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309135 126538260 1 SN2H26C36 AB2C26D36 156.96 3.82 -7.67 -0.82 0
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309136 126538261 1 NSH17C25 ABC17D25 102.9 3.25 -7.97 -0.77 0
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309137 126538280 1 SN5O5C25H25 AB5C5D25E25 -128.66 5.08 -8.9 -0.76 0
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309138 126538381 2 NC15H21 AB15C21 6.34 3.41 -7.5 -0.28 0
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309139 126538398 1 FO4N5H26C27 AB4C5D26E27 -135.52 4.79 -8.71 -0.78 0
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309140 126538424 1 NH33C46 AB33C46 181.21 1.54 -8.02 -0.47 0
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309143 126538538 1 NH35C56 AB35C56 250.22 0.7 -7.94 -0.52 0
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309144 126538583 1 NO3C18H23 AB3C18D23 -113.2 4.74 -8.67 0.02 0
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309145 126538677 1 O3C23H34 A3B23C34 -155.82 3.84 -9.44 0.17 0
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309146 126538689 1 ON2C13H24 AB2C13D24 -55.66 3.22 -9.28 0.15 0
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309148 126538739 1 N2O3C55H56 A2B3C55D56 13.07 7.11 -7.65 -0.48 0
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309149 126538814 1 NO6C24H33 AB6C24D33 -221.94 6.12 -8.33 -0.24 0
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309150 126538832 1 NH35C56 AB35C56 257.88 1.12 -7.95 -0.56 0
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309151 126538904 1 OPC4H9 ABC4D9 -61.8 1.03 -8.93 2.13 0
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309153 126538954 1 O2C19H24 A2B19C24 -28.04 3.25 -8.06 0.39 0
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309155 126539035 1 O5C16H26 A5B16C26 -239.05 2.94 -10.36 0.08 0
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309156 126539065 4 OC4H7 AB4C7 -159.18 4.02 -9.03 1.6 0
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309157 126539073 1 O5N6C22H24 A5B6C22D24 -39.71 6.15 -9.33 -0.92 0
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309158 126539146 1 O5C17H30 A5B17C30 -223.48 1.52 -9.63 0.32 0
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309159 126539181 1 O3N6C11H18 A3B6C11D18 -66.83 3.34 -9.26 0.38 0
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309160 126539215 1 FO2N4C20H31 AB2C4D20E31 -119.11 3.61 -8.62 -0.55 0
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309161 126539226 2 O2C8H13 A2B8C13 -162.72 1.66 -9.01 0.24 0
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309162 126539236 1 BrNO4H8C9 ABC4D8E9 -72.0 1.23 -10.5 -1.48 1
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309163 126539247 1 SN4H53C57 AB4C53D57 199.61 4.57 0.0 0.0 0
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309164 126539254 1 C10O11H18 A10B11C18 -491.73 2.96 -10.52 0.06 2
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309166 126539296 1 ClN6O6C69H97 AB6C6D69E97 -287.16 8.29 -8.98 -0.68 0
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309167 126539354 2 F2C12H13 A2B12C13 -183.59 5.5 -9.57 -0.56 0
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309168 126539363 1 FN4C17H29 AB4C17D29 -40.01 1.42 -8.33 0.07 0
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309169 126539410 1 NF4H21C27 AB4C21D27 -106.44 3.72 -9.24 -0.96 0
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309170 126539446 1 N3O8C25H43 A3B8C25D43 -307.28 5.03 -9.25 0.54 0
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309171 126539450 1 N6O11C42H66 A6B11C42D66 -394.87 7.58 -8.82 -0.97 1
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309172 126539461 1 SN4H55C58 AB4C55D58 214.11 3.96 0.0 0.0 0
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309173 126539475 1 ON3C25H33 AB3C25D33 18.95 3.96 -8.29 0.2 0
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309174 126539495 1 INCl2O3H10C16 ABC2D3E10F16 -39.67 3.53 -9.51 -1.49 0
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309175 126539509 1 SN2O3C16H16 AB2C3D16E16 13.61 7.95 -9.21 -1.11 0
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309176 126539560 1 NF2C21H25 AB2C21D25 -78.12 1.92 -9.24 -0.37 0
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309177 126539572 1 NSC18H33 ABC18D33 -2.54 2.94 -8.46 0.89 0
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309178 126539577 1 SN4H32C39 AB4C32D39 210.26 5.02 -8.26 -1.22 0
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309179 126539592 1 ON2H28C29 AB2C28D29 32.89 5.53 -8.4 -0.25 0
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309180 126539617 2 NC9H18 AB9C18 -60.45 1.13 -8.6 3.14 0
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309181 126539618 1 N3C16H31 A3B16C31 -17.73 2.62 -8.88 1.06 0
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309182 126539620 1 SO2N5H45C50 AB2C5D45E50 184.11 10.05 -7.96 -1.44 0