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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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227121 87560270 1 NOC11H13 ABC11D13 -8.02 3.06 -9.38 -0.03 0
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227122 87560280 2 OSiS2C6H15 ABC2D6E15 -226.31 1.79 -8.26 -1.28 0
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227123 87560285 1 ClN4C18H19 AB4C18D19 96.18 3.64 -8.34 -0.66 0
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227124 87560295 1 AlO6C27H49 AB6C27D49 -244.94 15.43 -8.51 -3.74 0
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227126 87560298 1 ClO2N6H25C27 AB2C6D25E27 116.51 5.43 -8.81 -1.14 0
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227127 87560299 1 NO2C5H9 AB2C5D9 -67.28 4.9 -9.67 0.93 0
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227128 87560304 1 O2F3C8H13 A2B3C8D13 -277.69 4.89 -11.11 0.3 0
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227129 87560306 2 S2C3H6 A2B3C6 -12.94 2.99 -8.86 -1.19 0
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227130 87560307 1 O10C17H18 A10B17C18 -387.61 6.37 -9.18 -1.19 0
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227131 87560308 1 ClF2N4C13H17 AB2C4D13E17 -64.06 3.04 -9.22 -0.94 0
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227132 87560309 1 O2N3C19H19 A2B3C19D19 27.75 4.59 -8.91 -0.3 0
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227133 87560311 1 MgS2O6C38H62 AB2C6D38E62 -394.1 7.86 -9.77 -0.54 0
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227134 87560312 1 MgS2O6C38H62 AB2C6D38E62 -343.85 9.8 -8.92 -0.81 0
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227135 87560315 1 Cl2N2O2C9H16 A2B2C2D9E16 -100.71 5.39 -10.83 -0.32 0
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227136 87560316 1 FSN2O2C27H31 ABC2D2E27F31 -35.1 3.46 -8.81 -0.5 1
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227138 87560321 1 ClFSO2N4C22H24 ABCD2E4F22G24 -63.32 4.57 -9.17 -1.13 0
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227139 87560323 1 H2C3N4O4 A2B3C4D4 19.51 0.69 -12.29 -2.86 0
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227140 87560326 1 Cl2N2O4C21H22 A2B2C4D21E22 -69.69 5.7 -8.17 -0.39 0
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227141 87560327 1 ClFO2N4H18C21 ABC2D4E18F21 65.42 7.03 -8.52 -0.49 0
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227142 87560328 1 Cl2N2O4C21H22 A2B2C4D21E22 -68.83 4.4 -8.71 -0.59 0
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227144 87560335 1 ClBr2N2O3H17C19 AB2C2D3E17F19 -18.4 7.34 -8.88 -0.5 0
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227145 87560340 1 N3S3O4C16H17 A3B3C4D16E17 -64.57 8.07 -8.44 -1.2 0
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227146 87560344 1 N2O2F3H11C13 A2B2C3D11E13 -161.79 6.74 -9.36 -0.66 0
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227147 87560345 1 CoSO2C3H6 ABC2D3E6 -64.91 10.03 0.0 0.0 0
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227148 87560348 1 O3C37H56 A3B37C56 -139.61 1.35 -8.38 -0.5 0
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227149 87560353 1 NS2C12H19 AB2C12D19 12.59 3.2 -8.81 -0.49 0
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227150 87560354 1 N2O2S2C13H22 A2B2C2D13E22 -75.96 6.51 -8.89 -0.29 0
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227151 87560355 1 SN4O5C10H16 AB4C5D10E16 -173.31 5.21 -10.17 -0.13 0
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227152 87560362 1 N2O3F6H14C15 A2B3C6D14E15 -416.43 5.29 -10.41 -1.07 1
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227153 87560363 1 BrNOC7H17 ABCD7E17 -24.63 3.16 0.0 0.0 0
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227154 87560364 1 FSCl2O2N4C21H21 ABC2D2E4F21G21 -60.87 3.76 -9.12 -1.08 0
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227155 87560369 1 ClF2N4O5H23C25 AB2C4D5E23F25 -166.7 0.7 -8.88 -1.17 0
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227156 87560381 1 FNO3H10C14 ABC3D10E14 -64.39 6.41 -9.48 -1.03 0
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227157 87560383 1 N2O2C21H26 A2B2C21D26 -10.72 2.72 -8.15 -0.67 0
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227158 87560390 1 N4O10C25H26 A4B10C25D26 -290.38 7.78 -8.37 -2.54 0
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227159 87560394 1 ISiO3C8H19 ABC3D8E19 -224.99 4.2 -8.73 -0.09 0
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227160 87560397 1 ClO2N7H22C25 AB2C7D22E25 103.1 7.49 -8.5 -1.19 0
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227161 87560401 1 SF3O3N5C26H26 AB3C3D5E26F26 -133.81 5.93 -9.15 -0.96 0
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227162 87560410 1 ClOH11C19 ABC11D19 45.35 3.33 -8.29 -1.72 1
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227163 87560411 1 O2S2N3H22C24 A2B2C3D22E24 75.61 19.81 0.0 0.0 0
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227164 87560412 1 SN2O2F4H18C24 AB2C2D4E18F24 -196.66 3.88 -8.73 -1.16 0
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227165 87560413 1 NO7C13H23 AB7C13D23 -297.52 5.18 -9.75 -0.55 0
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227166 87560414 1 NO6C13H21 AB6C13D21 -239.71 5.61 -10.3 -0.5 0
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227167 87560415 1 NO7C13H23 AB7C13D23 -291.92 5.52 -10.09 -0.68 0
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227168 87560416 1 NO3C7H9 AB3C7D9 -102.41 3.11 -10.34 -0.47 0
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227169 87560417 1 ClNO2H10C18 ABC2D10E18 60.21 6.37 -9.11 -1.68 0
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227170 87560418 2 N3O3C8H11 A3B3C8D11 -150.86 3.99 -9.12 -0.77 0
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227171 87560419 1 O2N3C28H33 A2B3C28D33 -3.4 3.2 -8.57 -0.64 0
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227172 87560420 1 OSN3F6H11C20 ABC3D6E11F20 -246.2 4.16 -8.66 -1.25 0
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227174 87560438 1 ClFSO2N4C21H22 ABCD2E4F21G22 -51.47 3.78 -8.88 -0.96 0
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227175 87560441 1 ClSO3H9C16 ABC3D9E16 -66.42 6.96 -9.16 -1.9 0
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227176 87560446 1 SO2N4C19H34 AB2C4D19E34 -59.19 7.69 -8.82 -0.75 0
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227177 87560447 1 SO2N4C19H34 AB2C4D19E34 -55.78 4.87 -9.14 -0.4 0
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227178 87560451 1 SO3F5H9C10 AB3C5D9E10 -327.03 3.71 -9.83 -1.25 0
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227179 87560457 1 P2Cl4O7C9H18 A2B4C7D9E18 -499.13 2.47 -10.83 -0.59 0
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227180 87560462 1 OC20H32 AB20C32 -25.82 2.18 -9.48 1.05 0
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227181 87560464 2 ClN3C6H12 AB3C6D12 2.83 6.58 -9.02 -0.59 0
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227183 87560481 1 ZnO2N3S4C7H15 AB2C3D4E7F15 -98.36 3.01 -8.65 -0.4 0
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227184 87560484 1 IO2F3N3H11C13 AB2C3D3E11F13 -159.98 2.53 -9.74 -1.82 0
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227185 87560490 1 NF4O4H63C68 AB4C4D63E68 -230.77 6.67 -8.52 -1.71 0
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227186 87560491 1 SN3O5C21H29 AB3C5D21E29 -180.34 6.15 -9.24 -0.77 0
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227187 87560493 1 Cl2N3O4C25H25 A2B3C4D25E25 -108.66 1.22 -8.95 -0.72 0
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227188 87560494 1 OC15H28 AB15C28 -58.29 1.71 -9.54 1.52 0
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227189 87560495 1 NOC15H23 ABC15D23 -32.69 3.55 -8.56 0.27 0
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227190 87560498 1 SF3O4H21C24 AB3C4D21E24 -244.68 7.3 -8.46 -1.1 0
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227191 87560501 1 SF3O4H17C18 AB3C4D17E18 -275.18 6.58 -8.77 -0.85 0
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227192 87560508 1 ClSF4N5O5C30H30 ABC4D5E5F30G30 -256.83 5.92 -8.92 -1.64 0
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227193 87560509 1 ClSF4N5O5C30H32 ABC4D5E5F30G32 -283.93 3.41 -8.69 -0.4 0
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227194 87560511 1 ClN2O3C26H29 AB2C3D26E29 -102.49 3.78 -8.88 -0.76 0
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227195 87560523 1 N3C26H53 A3B26C53 -64.24 2.09 -8.87 1.18 0
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227196 87560527 1 ClON2C7H7 ABC2D7E7 14.65 5.17 -8.75 -1.27 0
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227197 87560536 1 SN3O6C19H27 AB3C6D19E27 -212.15 2.11 -8.95 -0.55 0
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227198 87560543 1 N3C22H49 A3B22C49 -82.43 4.69 -8.88 2.92 0
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227199 87560551 1 FS2N8O9C43H49 AB2C8D9E43F49 -244.81 7.87 -8.92 -0.79 0
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227200 87560557 1 SH22C30 AB22C30 117.26 1.64 -8.27 -1.02 0