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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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409357 135082137 1 OC10H16 AB10C16 -66.63 1.38 -8.56 1.46 0
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409360 135082140 1 LiOC10H15 ABC10D15 -84.72 5.39 -7.67 2.58 0
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409361 135082141 1 OC10H16 AB10C16 -64.36 2.6 -8.8 1.46 0
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409362 135082142 1 LiOC10H15 ABC10D15 -82.69 5.47 -7.65 2.55 0
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409363 135082143 1 OC10H16 AB10C16 -64.52 0.77 -8.9 1.36 0
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409364 135082144 1 OSN2H14C16 ABC2D14E16 39.09 1.77 -8.27 -0.73 0
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409365 135082145 1 ON2C23H24 AB2C23D24 40.04 1.96 -8.9 -0.18 1
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409366 135082146 1 N3C35H48 A3B35C48 56.49 2.76 0.0 0.0 1
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409367 135082147 1 N3C36H50 A3B36C50 49.26 3.46 0.0 0.0 0
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409368 135082148 1 NO2C15H17 AB2C15D17 -56.77 5.87 -8.56 -0.27 0
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409369 135082150 2 SiC30H42 AB30C42 113.42 0.3 -8.34 -1.06 0
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409370 135082151 2 Si2C44H63 A2B44C63 206.3 0.33 -8.35 -1.1 0
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409371 135082152 2 Si3C58H84 A3B58C84 238.23 0.23 -8.3 -1.23 0
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409372 135082153 2 Si4C72H105 A4B72C105 327.68 0.13 -8.25 -1.31 0
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409373 135082154 2 Si5C86H126 A5B86C126 351.98 0.39 -8.2 -1.34 -1
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409374 135082155 1 PO3H11F15C21 AB3C11D15E21 -877.38 8.42 0.0 0.0 -1
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409375 135082156 1 PO4F12H18C27 AB4C12D18E27 -700.54 14.17 0.0 0.0 -1
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409376 135082157 1 ClPO3F12H15C26 ABC3D12E15F26 -695.96 4.64 0.0 0.0 -1
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409377 135082158 1 PO3F12H24C38 AB3C12D24E38 -616.0 1.55 0.0 0.0 -1
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409378 135082159 1 PO3F15H19C33 AB3C15D19E33 -830.86 10.2 0.0 0.0 -1
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409379 135082160 1 PO4F12H26C39 AB4C12D26E39 -682.44 8.13 0.0 0.0 -1
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409381 135082162 1 PO3F15H15C27 AB3C15D15E27 -863.95 3.92 0.0 0.0 -1
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409382 135082163 1 PO4F12H22C33 AB4C12D22E33 -721.33 3.23 0.0 0.0 -1
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409383 135082164 1 ClPO3F12H19C32 ABC3D12E19F32 -656.31 8.61 0.0 0.0 -1
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409385 135082166 1 PO5F12H28C40 AB5C12D28E40 -594.28 5.92 0.0 0.0 -1
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409386 135082167 1 PCl2O3F12H22C38 AB2C3D12E22F38 -629.27 8.54 0.0 0.0 -1
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409387 135082168 1 PO4F12H12C25 AB4C12D12E25 -708.37 4.94 0.0 0.0 -1
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409388 135082169 1 PO3F12H16C26 AB3C12D16E26 -565.2 10.65 0.0 0.0 -1
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409389 135082170 1 PO4F12H22C33 AB4C12D22E33 -700.97 7.26 0.0 0.0 -1
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409391 135082172 1 BrMgSN2O2C5H7 ABCD2E2F5G7 -84.03 3.47 -7.46 -1.81 0
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409392 135082173 1 SN2O2C5H8 AB2C2D5E8 -83.93 7.66 -9.43 -0.6 0
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409393 135082174 1 SBr2Mg2N2O4C6H6 AB2C2D2E4F6G6 -289.01 6.23 -9.38 -1.02 0
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409394 135082175 1 SN2O4C6H8 AB2C4D6E8 -163.72 4.35 -10.13 -1.4 0
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409395 135082176 2 SO2C7H9 AB2C7D9 -162.73 2.01 -8.92 -0.92 0
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409396 135082177 1 NOLi2C12H15 ABC2D12E15 -58.96 1.66 -8.14 1.33 0
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409397 135082178 1 NOLi3H14C22 ABC3D14E22 50.36 15.96 -7.31 0.88 0
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409398 135082179 1 ClNO2C11H12 ABC2D11E12 -36.0 4.44 -9.1 -0.36 0
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409399 135082180 1 ClNO6C11H12 ABC6D11E12 -5.47 9.07 -9.54 -2.9 0
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409400 135082181 1 O4N5C10H15 A4B5C10D15 -85.04 4.16 -9.8 -0.91 0
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409401 135082182 2 GaO2C9H13 AB2C9D13 -145.84 3.96 -8.27 -0.22 0
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409402 135082183 1 GaO2C9H13 AB2C9D13 -79.06 3.65 -8.54 -0.18 0
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409403 135082184 2 GaO2C11H17 AB2C11D17 -159.8 4.55 -7.79 0.18 0
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409404 135082185 1 GaO2C11H17 AB2C11D17 -78.2 3.53 -8.24 0.15 0
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409405 135082186 2 AlO2C10H15 AB2C10D15 -231.09 5.94 -8.94 0.03 0
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409409 135082190 1 O5C24H38 A5B24C38 -152.79 3.52 -7.94 0.18 0
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409410 135082191 1 Li2H4N4C7 A2B4C4D7 84.87 14.24 -7.7 0.75 0
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409411 135082192 2 ON3C8H9 AB3C8D9 26.31 6.23 -9.54 -0.58 0
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409412 135082193 1 NSF2O6C16H29 ABC2D6E16F29 -367.16 4.61 -9.02 -0.02 0
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409413 135082194 1 FO3N5C11H14 AB3C5D11E14 -109.46 12.82 -9.15 -0.17 1
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409414 135082195 1 N2O2C4H9 A2B2C4D9 -1.15 4.47 0.0 0.0 0
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409415 135082196 1 SeS2H4C5 AB2C4D5 61.54 2.34 -8.22 -1.9 1
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409416 135082197 1 H3C4S4 A3B4C4 35.87 1.02 0.0 0.0 0
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409417 135082198 1 O2H6C9 A2B6C9 0.27 5.92 -8.52 -2.04 1
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409418 135082199 1 O2H7C9 A2B7C9 -31.37 2.16 0.0 0.0 0
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409419 135082200 2 Br2C4H5 A2B4C5 20.73 2.37 -10.11 -1.43 0
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409425 135082206 1 BiON2F6C21H23 ABC2D6E21F23 -262.95 11.26 -8.51 -0.63 0
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409426 135082207 1 BiO2H11F12C19 AB2C11D12E19 -603.63 6.82 -9.92 -1.75 0
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409427 135082208 1 AuPF2H18C24 ABC2D18E24 16.48 10.69 -8.73 -0.77 0
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409428 135082209 1 AuPF3H17C24 ABC3D17E24 38.8 1.7 -8.64 -1.3 0
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409429 135082210 1 AuPCl5C12H15 ABC5D12E15 112.87 20.52 -7.26 -3.25 0
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409430 135082211 1 AuPBr5H15C24 ABC5D15E24 285.32 7.07 -8.72 -3.01 0
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409436 135082217 1 BiO2H9F12C18 AB2C9D12E18 -609.57 6.94 -9.97 -1.9 0
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409437 135082218 1 BiO2C19H23 AB2C19D23 -8.19 6.28 -8.55 -0.26 -4
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409438 135082219 2 AuClC4H10 ABC4D10 40.17 13.04 -9.26 -1.9 -4
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409439 135082220 2 AuIC4H10 ABC4D10 33.3 11.42 -9.38 -1.63 -2
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409440 135082221 1 AuPCl2F4H18C25 ABC2D4E18F25 48.52 12.19 -9.32 -2.64 0
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409444 135082225 1 ClPC10H24 ABC10D24 -87.36 7.55 -8.69 1.8 -2
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409445 135082226 1 Au2P2O4H41C43 A2B2C4D41E43 198.28 17.77 0.0 0.0 -2
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409449 135082230 1 ClH3C5 AB3C5 121.62 2.17 -9.52 -1.65 0
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409453 135082234 1 OC6H6 AB6C6 89.83 2.28 -8.36 -1.33 0
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409456 135082237 1 NC8H11 AB8C11 126.75 0.91 -8.76 -1.13 0
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409459 135082240 1 AuClO2S2C6H16 ABC2D2E6F16 -34.94 7.42 -8.73 0.43 0
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409461 135082242 1 NAu2P3H35C38 AB2C3D35E38 197.71 5.82 0.0 0.0 0
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409462 135082244 1 AuPH20C26 ABC20D26 288.42 2.15 -8.4 -0.93 0
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409463 135082245 1 AuPH18C21 ABC18D21 224.39 1.95 -8.23 -0.39 0