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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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341650 127264343 1 NiP3C36H84 AB3C36D84 -122.35 5.87 0.0 0.0 4
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341653 127264346 1 AuNPO3H17C18 ABCD3E17F18 94.71 10.8 -9.32 -0.87 1
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341655 127264348 1 AuPH25C34 ABC25D34 299.0 2.28 0.0 0.0 1
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341656 127264349 1 AuPO2C22H23 ABC2D22E23 87.07 8.31 0.0 0.0 2
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341658 127264351 1 AuClPH14C18 ABCD14E18 153.16 14.69 0.0 0.0 1
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341659 127264352 1 AuNPO2H20C24 ABCD2E20F24 228.2 18.61 0.0 0.0 0
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341660 127264353 1 AuClNSO2C9H9 ABCDE2F9G9 3.66 8.1 -9.9 -2.02 1
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341661 127264354 1 AuClPC18H28 ABCD18E28 13.23 15.36 0.0 0.0 1
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341662 127264355 1 AuOPH23C25 ABCD23E25 164.2 2.21 0.0 0.0 1
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341663 127264356 1 AuOPH23C25 ABCD23E25 166.53 1.52 0.0 0.0 0
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341664 127264357 1 AuBPF4H16C18 ABCD4E16F18 -101.42 11.91 0.0 0.0 1
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341666 127264359 1 AuPSC23H27 ABCD23E27 156.5 9.94 0.0 0.0 1
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341667 127264360 1 AuOPCl5H17C24 ABCD5E17F24 114.39 10.28 -7.13 -1.75 1
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341668 127264361 1 AuPSC17H23 ABCD17E23 88.9 3.01 0.0 0.0 1
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341669 127264362 1 AuPSC12H21 ABCD12E21 48.88 2.55 0.0 0.0 4
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341671 127264364 1 AuPSH23C25 ABCD23E25 216.79 6.85 0.0 0.0 1
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341672 127264365 1 AuClNOPH19C20 ABCDEF19G20 171.29 7.8 0.0 0.0 1
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341673 127264366 1 AuNPO2F5H22C23 ABCD2E5F22G23 -198.94 33.28 -8.24 -1.64 1
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341675 127264368 1 AuOPC23H23 ABCD23E23 177.97 6.05 0.0 0.0 1
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341676 127264369 1 AuOPC30H37 ABCD30E37 87.95 13.51 0.0 0.0 1
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341680 127264373 1 AuPC22H23 ABC22D23 321.15 3.51 0.0 0.0 1
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341681 127264374 1 AuPH27C28 ABC27D28 315.41 12.24 0.0 0.0 1
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341682 127264375 1 AuPC19H37 ABC19D37 37.32 10.42 0.0 0.0 2
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341697 127264390 1 FePO3H19C21 ABC3D19E21 64.5 7.82 -7.08 -0.73 0
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341698 127264391 1 PWO5H21C23 ABC5D21E23 47.05 2.95 -6.11 -0.66 6
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341706 127264399 1 FN2Cl3C6H8 AB2C3D6E8 -83.4 1.02 -9.36 -0.72 0
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341707 127264400 1 NSO2H13C16 ABC2D13E16 10.19 7.91 -9.58 -1.32 0
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341708 127264401 1 BrClSH4C8 ABCD4E8 38.61 2.49 -9.0 -1.03 0
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341709 127264402 1 ClSBr2H5C9 ABC2D5E9 29.67 3.17 -9.09 -1.11 0
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341710 127264403 2 BrNOSCl2C19H19 ABCDE2F19G19 -28.94 1.6 -8.74 -1.66 0
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341711 127264404 2 BrNOSCl2C19H19 ABCDE2F19G19 -31.69 2.77 -8.81 -1.64 0
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341712 127264405 2 SH2O2C4 AB2C2D4 -106.82 0.03 -9.84 -2.01 0
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341713 127264406 2 SnS2C37H45 AB2C37D45 116.35 0.39 -7.91 -1.0 0
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341714 127264407 1 Cl2N5H43C45 A2B5C43D45 147.18 9.63 -8.38 -0.35 0
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341715 127264408 1 F2N6O8C47H50 A2B6C8D47E50 -344.87 6.89 -8.62 -1.46 0
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341716 127264409 1 O2C9H16 A2B9C16 -112.09 5.82 -10.49 -0.14 0
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341717 127264410 1 N2C23H30 A2B23C30 32.36 1.9 -8.73 0.26 0
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341718 127264411 1 ClON3C9H16 ABC3D9E16 -41.36 2.49 -8.38 -0.15 0
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341719 127264412 1 BBrO3C14H18 ABC3D14E18 -187.25 6.11 -9.81 -0.9 0
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341720 127264413 1 O3C26H42 A3B26C42 -176.33 2.57 -9.18 -0.8 0
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341721 127264414 1 O3C28H46 A3B28C46 -186.38 1.89 -9.17 -0.82 0
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341722 127264415 1 ClN2O4C28H41 AB2C4D28E41 -200.93 5.95 -8.56 -0.47 0
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341723 127264416 1 ClN2O5C16H25 AB2C5D16E25 -168.81 8.89 -8.89 -1.47 0
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341724 127264417 2 O2C24H33 A2B24C33 -208.92 5.39 -9.54 -0.42 0
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341725 127264418 1 BFO3C10H14 ABC3D10E14 -225.51 4.34 -9.28 0.15 0
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341726 127264419 1 N2O3H8C11 A2B3C8D11 18.46 8.31 -10.04 -1.24 0
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341727 127264420 1 N2O3H8C11 A2B3C8D11 11.25 2.02 -9.46 -1.91 0
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341728 127264421 1 ClFO2N3C19H19 ABC2D3E19F19 -107.31 4.67 -9.11 -0.49 0
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341729 127264422 1 ClFO2N3C21H23 ABC2D3E21F23 -118.14 4.6 -9.09 -0.48 0
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341730 127264423 1 ClFO2N3C20H21 ABC2D3E20F21 -115.65 10.06 -8.68 -0.62 0
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341731 127264424 1 N3O3C21H25 A3B3C21D25 -100.08 5.35 -8.56 -0.37 0
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341732 127264425 1 N3O3C22H27 A3B3C22D27 -109.2 7.29 -8.37 -0.48 0
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341733 127264426 1 N3O3C20H23 A3B3C20D23 -96.35 3.09 -8.73 -0.32 0
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341734 127264427 1 N3O3C20H23 A3B3C20D23 -92.04 3.66 -8.35 -0.28 0
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341735 127264428 1 N3O3C21H25 A3B3C21D25 -98.44 5.95 -7.91 -0.47 0
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341736 127264429 1 N3O3C22H27 A3B3C22D27 -104.71 5.93 -7.92 -0.46 0
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341737 127264430 1 O2N3C22H27 A2B3C22D27 -71.97 2.71 -8.53 -0.28 0
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341738 127264431 1 O2N3C21H25 A2B3C21D25 -68.28 6.19 -8.22 -0.46 0
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341739 127264432 1 O2N3C20H23 A2B3C20D23 -62.19 2.95 -8.6 -0.27 0
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341740 127264433 1 O2N3C22H27 A2B3C22D27 -78.99 3.5 -8.52 -0.09 0
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341741 127264434 1 O2N3C23H29 A2B3C23D29 -87.0 7.18 -8.12 -0.26 0
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341742 127264435 1 O2N3C24H31 A2B3C24D31 -88.97 4.43 -8.44 -0.12 0
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341743 127264436 1 N3O3C24H31 A3B3C24D31 -119.89 6.71 -8.22 0.16 0
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341744 127264437 1 N3O3C23H29 A3B3C23D29 -118.16 8.1 -7.94 -0.28 0
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341745 127264438 1 N3O3C22H27 A3B3C22D27 -109.03 4.37 -8.23 -0.14 0
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341746 127264439 1 N3O3C22H27 A3B3C22D27 -117.5 8.39 -8.32 -0.32 0
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341747 127264440 1 N3O3C23H29 A3B3C23D29 -118.15 4.18 -8.64 -0.14 0
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341748 127264441 1 N3O3C24H31 A3B3C24D31 -124.36 5.32 -8.54 0.09 0
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341749 127264442 1 ClFO2N3C23H27 ABC2D3E23F27 -136.49 7.78 -8.57 -0.4 0
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341750 127264443 1 ClFO2N3C22H25 ABC2D3E22F25 -134.57 11.25 -8.6 -0.44 0
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341751 127264444 1 ClFO2N3C21H23 ABC2D3E21F23 -130.1 10.97 -8.66 -0.43 0
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341752 127264445 1 ClNO2C11H12 ABC2D11E12 -44.97 5.48 -9.54 -0.52 0
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341753 127264446 1 AuOH2Cl3 ABC2D3 -24.4 5.65 -10.54 -3.84 0
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341754 127264447 1 NO4F6H15C21 AB4C6D15E21 -403.56 5.27 -9.11 -1.17 0
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341755 127264448 1 NBr2S2H13C16 AB2C2D13E16 88.25 3.63 -8.29 -0.74 0
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341756 127264449 1 ClIO3H6C8 ABC3D6E8 -93.28 1.17 -9.55 -1.39 0
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341757 127264450 1 Cl2N2C7H10 A2B2C7D10 -11.54 1.87 -8.92 -0.34 0
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341758 127264451 1 N2O3C15H18 A2B3C15D18 -106.2 4.91 -10.06 -0.82 0
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341759 127264452 1 N3O5C16H27 A3B5C16D27 -248.86 5.03 -9.4 0.0 0
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341760 127264453 1 O3N6C25H34 A3B6C25D34 -57.92 5.63 -8.58 -0.89 0
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341761 127264454 2 N2O2H19C23 A2B2C19D23 2.28 8.66 -8.68 -0.99 0
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341762 127264455 1 NO3C11H11 AB3C11D11 -118.58 2.53 -8.98 -0.26 0
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341763 127264456 1 N3O3H19C20 A3B3C19D20 -44.51 4.23 -8.48 -0.22 0
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341764 127264457 1 ClN3O4H20C22 AB3C4D20E22 -88.47 3.62 -8.66 -0.53 0
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341765 127264458 1 SN2O5H26C27 AB2C5D26E27 -94.44 4.0 -9.0 -1.18 0
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341766 127264459 1 SN2O5H22C25 AB2C5D22E25 -83.88 3.19 -9.33 -1.0 0
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341767 127264460 1 ClN2O2C11H21 AB2C2D11E21 -150.24 2.66 -9.69 0.55 0
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341768 127264461 1 BNO4C16H18 ABC4D16E18 -140.6 9.31 -9.26 -1.44 0
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341769 127264462 1 ClN3C9H14 AB3C9D14 11.25 3.43 -9.06 0.5 0
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341770 127264463 1 ClN2O2C9H21 AB2C2D9E21 -142.93 5.09 -9.25 0.88 0
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341771 127264464 1 O5H26C28 A5B26C28 -147.67 4.27 -9.54 -0.89 0
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341772 127264465 1 SiO4C22H40 AB4C22D40 -281.55 4.18 -8.97 0.57 0
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341773 127264466 2 O2C7H11 A2B7C11 -203.32 3.92 -9.96 0.71 0
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341774 127264467 1 SiO6C37H62 AB6C37D62 -371.62 2.74 -8.8 0.33 0
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341775 127264468 1 SSiO8C38H64 ABC8D38E64 -457.24 3.25 -8.69 0.32 0
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341776 127264469 1 NO6C15H19 AB6C15D19 -238.06 1.45 -9.69 -0.21 0
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341777 127264470 1 Si2O5C35H66 A2B5C35D66 -395.21 3.65 -8.84 -0.12 0
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341778 127264471 1 SiO5C34H46 AB5C34D46 -261.71 3.94 -8.87 -0.85 0
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341780 127264473 1 Si2O4C29H56 A2B4C29D56 -351.85 4.79 -8.87 0.65 0
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341781 127264474 1 SiO4C24H34 AB4C24D34 -219.85 3.27 -9.06 -0.46 0