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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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410431 135083227 1 N3O12C19H27 A3B12C19D27 -405.78 4.07 -10.05 -1.2 0
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410432 135083228 1 NO7C15H21 AB7C15D21 -305.11 7.35 -10.34 0.26 0
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410433 135083229 1 NO7C15H21 AB7C15D21 -312.29 3.51 -10.39 -0.19 0
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410434 135083230 1 PN2O5C10H19 AB2C5D10E19 -302.25 6.21 -10.56 -0.27 -2
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410435 135083231 1 NPO4C5H8 ABC4D5E8 -141.89 6.19 -9.31 -0.63 0
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410436 135083232 1 PN2H7C10 AB2C7D10 81.41 2.46 -8.3 -0.88 0
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410437 135083234 1 O9C31H36 A9B31C36 -224.83 4.81 -9.59 -2.26 0
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410438 135083235 1 PtP2C16H36 AB2C16D36 18.05 1.9 -8.65 -0.73 0
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410439 135083236 1 BO2C12H21 AB2C12D21 -156.24 1.17 -8.22 0.72 0
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410440 135083237 1 BC6H11 AB6C11 -10.2 0.74 -9.36 0.72 0
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410441 135083238 1 BCl2H9C10 AB2C9D10 -34.32 1.59 -9.12 -0.67 0
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410442 135083239 1 BSi6C30H63 AB6C30D63 -99.51 2.07 -8.16 0.56 0
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410443 135083240 1 BC25H41 AB25C41 -7.07 1.03 -9.26 0.35 0
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410444 135083241 1 N3C5H7 A3B5C7 78.49 6.56 -8.14 -0.79 0
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410445 135083242 1 H6C7 A6B7 111.48 0.21 -9.67 -0.5 0
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410446 135083243 2 H3C4 A3B4 149.81 0.03 -9.22 -1.14 0
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410447 135083244 3 H2C3 A2B3 179.14 0.27 -9.08 -1.05 0
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410448 135083245 2 ClN2C18H22 AB2C18D22 81.53 33.11 -6.19 -2.18 2
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410449 135083246 4 NC9H11 AB9C11 106.13 13.66 -5.04 -0.82 0
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410450 135083247 1 OH24C42 AB24C42 216.34 0.67 -8.15 -1.89 0
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410451 135083248 3 ClH7C9 AB7C9 95.47 3.45 -8.9 -0.87 0
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410452 135083249 3 NH7C10 AB7C10 220.5 7.28 -9.36 -1.35 0
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410453 135083250 1 ON2C12H18 AB2C12D18 -19.38 4.41 -8.77 -0.34 0
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410455 135083252 1 IOSC9H11 ABCD9E11 8.65 5.4 -8.27 -0.96 0
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410456 135083253 1 LiSe2C6H11 AB2C6D11 4.46 4.93 -7.22 1.01 0
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410457 135083254 1 N2O2C15H16 A2B2C15D16 44.11 1.01 -9.26 0.1 0
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410458 135083255 1 PSN2O2Cl3F3H5C8 ABC2D2E3F3G5H8 -248.69 2.87 -10.01 -1.98 0
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410459 135083256 1 PO3N4H31C38 AB3C4D31E38 131.25 18.38 -7.39 -1.03 1
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410460 135083257 1 PO3N4H32C38 AB3C4D32E38 136.02 11.14 0.0 0.0 0
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410461 135083258 1 N2P2O6H18C19 A2B2C6D18E19 -290.5 0.98 -9.24 -0.34 0
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410462 135083259 1 PN3H26C31 AB3C26D31 150.61 10.44 -7.09 -0.48 0
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410463 135083260 1 NOPH26C33 ABCD26E33 96.29 5.24 -8.62 -0.1 0
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410464 135083261 1 NOPC25H38 ABCD25E38 -68.75 3.86 -8.32 -0.09 0
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410465 135083262 1 NPO5C30H40 ABC5D30E40 -227.88 5.24 -8.51 -0.48 0
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410466 135083264 2 OPC20H34 ABC20D34 -151.24 4.69 -8.13 0.32 0
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410468 135083266 1 P2Si6C32H65 A2B6C32D65 -282.26 3.35 0.0 0.0 0
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410469 135083267 1 BPN2S2F4C18H22 ABC2D2E4F18G22 -319.02 12.79 -8.41 -0.67 0
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410470 135083268 1 PN2S2C18H21 AB2C2D18E21 46.59 1.21 -7.89 0.07 0
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410471 135083269 1 NOPC33H38 ABCD33E38 2.7 4.48 -8.51 -0.2 0
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410472 135083270 1 NOPC21H34 ABCD21E34 -68.04 4.17 -8.3 0.14 0
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410473 135083271 1 ClOSN2C14H15 ABCD2E14F15 -11.71 6.82 -8.25 -0.68 0
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410474 135083272 1 N2S2C15H18 A2B2C15D18 34.92 3.11 -8.24 -0.41 0
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410475 135083273 1 NOS2C13H13 ABC2D13E13 3.76 2.16 -9.1 -0.82 0
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410476 135083274 1 SN3O3C11H11 AB3C3D11E11 2.75 12.02 -8.68 -1.28 0
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410477 135083275 1 ClSN2O2H15C18 ABC2D2E15F18 -16.49 4.94 -8.64 -1.61 0
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410478 135083276 1 NSO4H13C14 ABC4D13E14 -124.88 2.76 -8.54 -0.71 0
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410479 135083277 1 SN3H9C11 AB3C9D11 102.68 3.08 -9.06 -0.96 0
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410480 135083278 1 SN3H7C10 AB3C7D10 110.75 2.3 -9.08 -0.9 0
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410481 135083279 1 BrOPN2C40H40 ABCD2E40F40 112.42 7.88 -7.59 -0.21 1
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410482 135083280 1 OPN2C40H40 ABC2D40E40 86.63 2.44 0.0 0.0 0