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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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404441 135066298 1 NO2C18H25 AB2C18D25 -89.26 1.99 -9.23 0.17 0
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404442 135066300 1 FNO3C16H16 ABC3D16E16 -136.76 2.81 -9.75 -0.49 0
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404443 135066301 2 OC8H12 AB8C12 -107.12 1.44 -9.51 0.2 0
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404444 135066302 1 O3C12H14 A3B12C14 -118.79 4.6 -10.3 -0.93 0
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404445 135066303 1 NO2C13H17 AB2C13D17 -59.11 4.56 -9.58 0.19 0
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404446 135066305 1 NSO5C17H19 ABC5D17E19 -165.3 6.25 -9.72 -0.6 0
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404447 135066306 1 O3C14H22 A3B14C22 -139.87 5.42 -9.57 0.05 0
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404448 135066307 1 BrOF3C13H22 ABC3D13E22 -254.71 4.01 -10.39 -0.1 0
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404449 135066308 1 N2S2O4H20C21 A2B2C4D20E21 -53.97 5.02 -9.49 -0.8 0
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404450 135066309 1 N2S2O5H20C21 A2B2C5D20E21 -96.69 4.7 -9.04 -1.04 0
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404451 135066350 1 NOC19H23 ABC19D23 7.04 4.18 -8.68 0.22 0
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404452 135066406 1 FOC22H23 ABC22D23 -30.95 1.41 -8.91 -0.29 0
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404453 135066407 1 FNSO3C12H24 ABCD3E12F24 -206.51 2.71 -8.45 0.48 0
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404454 135066408 1 FNS2O3C18H22 ABC2D3E18F22 -120.65 3.87 -8.09 -0.71 0
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404455 135066409 1 NSO5C19H23 ABC5D19E23 -150.57 5.93 -9.32 -0.64 0
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404456 135066410 1 NSO4C19H23 ABC4D19E23 -122.68 4.78 -9.42 -0.46 0
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404457 135066413 2 N4O4Si4C84H89 A4B4C4D84E89 -34.21 12.03 -8.1 -2.62 0
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404458 135066414 1 ZnN8O8H48C64 AB8C8D48E64 484.48 5.08 -9.1 -2.0 -2
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404460 135066416 1 CuO4N12C56H56 AB4C12D56E56 609.18 13.12 0.0 0.0 0
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404462 135066418 1 InN8Cl17C32 AB8C17D32 302.73 3.75 -8.56 -2.76 0
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404463 135066421 1 CuN8C56F64 AB8C56D64 -2607.07 3.51 0.0 0.0 0
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404464 135066422 1 ZnN8O8Cl16C128H128 AB8C8D16E128F128 117.8 5.8 -8.55 -1.9 0
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404465 135066424 1 CuCl8N8S8C64H72 AB8C8D8E64F72 326.12 8.16 0.0 0.0 0
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404466 135066425 2 Cl4N4S4C32H37 A4B4C4D32E37 138.75 6.93 -7.75 -2.51 0
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404467 135066428 1 CoO4N8Cl12H20C56 AB4C8D12E20F56 512.94 23.56 0.0 0.0 0
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404468 135066429 2 O2N4Cl6H11C28 A2B4C6D11E28 224.15 7.58 -8.2 -2.78 0
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404469 135066430 1 CoCl8N8O8H40C80 AB8C8D8E40F80 423.0 38.3 0.0 0.0 0
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404470 135066431 2 Cl4N4O4H21C40 A4B4C4D21E40 355.78 10.8 -8.26 -2.36 0
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404471 135066434 1 ZnF8N8S8O72C144H152 AB8C8D8E72F144G152 -3007.81 17.18 -8.58 -2.99 0
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404472 135066435 2 F4N4S4O36C72H77 A4B4C4D36E72F77 -3106.78 2.74 -8.55 -2.85 0
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404473 135066436 1 ZnN8O16C112H176 AB8C16D112E176 -470.7 26.4 -7.31 -1.66 0
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404474 135066438 1 CuN16C32H48 AB16C32D48 414.86 7.06 0.0 0.0 0
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404475 135066439 1 ZnN16H112C128 AB16C112D128 782.63 9.42 -6.78 -1.7 0
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404476 135066440 2 N8H57C64 A8B57C64 659.32 3.65 -7.11 -1.8 0
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404477 135066441 1 ZnN8S8H56C72 AB8C8D56E72 577.87 7.48 -8.04 -2.06 0
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404478 135066442 1 MgN8H24F48C80 AB8C24D48E80 -1936.73 21.77 -7.54 -3.79 0
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404479 135066444 2 O2N5C18H18 A2B5C18D18 166.25 4.34 -8.33 -2.64 0
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404480 135066445 1 ClGaH8N8F16C48 ABC8D8E16F48 -434.06 8.72 -7.92 -3.19 0
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404481 135066447 1 SiBr4O6N8H102C104 AB4C6D8E102F104 -27.13 5.9 -7.11 -2.21 0
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404482 135066481 1 N2S2O4C19H20 A2B2C4D19E20 -107.11 9.78 -9.69 -0.92 0
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404483 135066489 1 SN2H12C14 AB2C12D14 93.48 3.04 -8.69 -0.64 0
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404484 135066495 1 SO2F3N4C15H19 AB2C3D4E15F19 -185.5 4.88 -9.06 -1.54 0
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404485 135066543 1 O8C27H40 A8B27C40 -339.46 9.83 -9.46 0.0 0
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404486 135066544 2 OH7C8 AB7C8 -19.56 4.51 -8.84 -0.97 0
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404487 135066545 2 OC6H7 AB6C7 -62.21 5.35 -8.88 -0.67 0
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404488 135066546 1 IPO2H16C19 ABC2D16E19 -34.32 3.75 -9.33 -0.8 0
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404489 135066547 1 NSiO5C27H47 ABC5D27E47 -255.62 1.67 -8.77 0.4 0
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404490 135066548 1 ClNPO2C19H25 ABCD2E19F25 -114.01 5.09 -9.09 -0.07 0
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404491 135066549 1 PSnO2C15H19 ABC2D15E19 -72.26 2.69 -9.52 -0.17 0
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404492 135066550 1 NO2C20H25 AB2C20D25 -87.12 2.92 -8.7 -0.34 0