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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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147773 53787431 1 N2O3C16H24 A2B3C16D24 -123.83 3.29 -8.23 0.13 0
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147774 53787432 1 S2N4O7C21H22 A2B4C7D21E22 -226.59 4.58 -8.28 -0.96 0
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147775 53787433 1 BrOC28H31 ABC28D31 39.64 1.14 -9.36 0.0 0
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147776 53787434 1 N3O7C24H25 A3B7C24D25 -89.6 2.85 -9.64 -1.6 0
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147777 53787435 1 N2O4C23H34 A2B4C23D34 -185.57 6.52 -8.73 0.08 0
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147778 53787436 1 O2N3C17H23 A2B3C17D23 -10.75 1.85 -9.38 -0.13 1
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147779 53787437 1 ON2C24H41 AB2C24D41 -56.88 3.87 0.0 0.0 0
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147780 53787438 1 S2N3O6H19C23 A2B3C6D19E23 -118.69 6.63 -9.22 -1.04 0
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147781 53787439 1 SN2O3H12C13 AB2C3D12E13 -61.46 3.86 -9.29 -0.84 0
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147782 53787440 1 ClO5C22H29 AB5C22D29 -204.29 4.65 -9.03 -0.26 0
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147783 53787441 2 C18H29 A18B29 -5.92 0.58 -8.62 0.59 0
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147784 53787442 1 FON4H25C26 ABC4D25E26 48.8 5.54 -8.95 -0.04 0
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147785 53787443 2 O3C17H18 A3B17C18 -173.46 2.15 -9.36 0.05 0
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147786 53787444 2 O3C17H18 A3B17C18 -175.33 2.57 -9.33 0.07 0
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147787 53787445 2 O3C17H18 A3B17C18 -183.85 4.65 -9.54 -0.09 0
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147788 53787446 1 SF2O2N4C16H20 AB2C2D4E16F20 -102.22 2.36 -10.08 -0.79 0
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147789 53787447 1 SSiO4C24H36 ABC4D24E36 -219.03 3.07 -8.27 0.24 0
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147790 53787448 1 ClFNO2C24H25 ABCD2E24F25 -79.17 4.05 -8.78 -0.98 0
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147791 53787449 1 NO5C20H29 AB5C20D29 -162.0 5.05 -8.8 -0.02 0
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147792 53787450 1 NO2F6H15C20 AB2C6D15E20 -354.38 2.08 -10.01 -1.58 0
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147793 53787451 1 C6O7H8 A6B7C8 -253.44 2.63 -11.21 -0.63 0
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147794 53787452 1 S3N4O4C22H26 A3B4C4D22E26 -99.45 7.82 -8.25 -0.67 0
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147795 53787453 1 NC21H45 AB21C45 -95.14 1.61 -9.07 3.57 0
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147796 53787454 1 OSN5H15C16 ABC5D15E16 87.7 3.28 -8.96 -0.83 0
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147797 53787455 1 N5C12H15 A5B12C15 114.44 8.0 -8.13 -1.18 0
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147798 53787456 1 NSO5C30H41 ABC5D30E41 -225.78 3.25 -9.1 -0.73 0
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147799 53787457 1 ON4C15H20 AB4C15D20 38.66 6.41 -9.29 -0.71 0
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147800 53787458 1 O2N5C25H29 A2B5C25D29 5.94 4.25 -9.05 -0.92 0
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147801 53787459 2 O3C19H19 A3B19C19 -121.67 1.52 -9.02 -0.85 0
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147802 53787460 1 H5N7C9 A5B7C9 199.63 3.5 -9.06 -1.35 0
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147803 53787461 1 O3C17H18 A3B17C18 -108.25 3.92 -9.66 -0.64 0
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147804 53787462 1 N2O4C21H22 A2B4C21D22 -112.1 2.55 -9.67 -0.37 0
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147805 53787463 1 SN4O5C26H28 AB4C5D26E28 -115.64 6.78 -9.49 -1.01 0
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147806 53787464 1 O2N3C7H11 A2B3C7D11 -59.55 3.17 -9.52 0.41 0
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147807 53787465 1 ClNO3C12H20 ABC3D12E20 -140.81 5.39 -9.46 0.07 0
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147808 53787466 1 SN6C10H16 AB6C10D16 82.36 5.59 -8.67 -0.44 0
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147809 53787467 1 N3C19H31 A3B19C31 8.41 1.35 -8.41 0.38 0
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147810 53787468 1 ClF4C35H41 AB4C35D41 -202.9 6.07 -9.02 -0.8 0
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147811 53787469 1 BrO3C20H35 AB3C20D35 -191.35 5.58 -10.22 -1.09 0
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147812 53787470 1 NO2C16H17 AB2C16D17 4.35 1.43 -8.82 -0.17 0
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147813 53787471 1 PN3O4C11H24 AB3C4D11E24 -228.01 4.95 -8.8 0.53 0
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147814 53787472 1 ClN4C9H11 AB4C9D11 69.23 2.64 -8.88 -0.51 0
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147815 53787473 1 ClO2C7H11 AB2C7D11 -70.72 3.28 -10.01 -1.32 0
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147816 53787474 1 NO6C8H11 AB6C8D11 -264.01 6.62 -10.73 -0.45 0
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147817 53787475 1 ClN2O5C18H27 AB2C5D18E27 -219.31 1.9 -9.83 -0.54 0
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147818 53787476 1 ClNO2H18C19 ABC2D18E19 -32.31 4.52 -9.68 -0.53 0
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147819 53787477 1 OCl2N4C14H16 AB2C4D14E16 50.54 5.86 -9.68 -0.94 0
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147820 53787478 2 N2O2C27H32 A2B2C27D32 -28.71 6.16 -7.86 -1.09 0
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147821 53787479 1 PN2O3C10H25 AB2C3D10E25 -223.85 2.76 -8.98 0.88 0
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147822 53787480 1 O5C20H26 A5B20C26 -185.54 6.93 -8.8 -0.64 0
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147823 53787481 1 ClOC13H17 ABC13D17 -55.36 2.92 -9.39 -0.11 0
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147824 53787482 1 S3N5O9H21C27 A3B5C9D21E27 -177.51 9.28 -8.79 -2.0 0
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147825 53787483 1 BrOSN2H13C14 ABCD2E13F14 29.7 2.58 -8.68 -0.54 0
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147826 53787484 1 ClNO2C25H30 ABC2D25E30 -57.27 4.22 -8.24 0.17 0
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147827 53787485 1 N5O12C22H37 A5B12C22D37 -567.17 6.11 -10.02 -0.53 0
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147828 53787486 1 O2F3Cl4C19H19 A2B3C4D19E19 -257.88 1.29 -9.57 -0.61 0
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147829 53787487 1 NO2C19H29 AB2C19D29 -107.31 7.58 -9.11 0.6 0
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147830 53787488 2 O2Cl3C6F8 A2B3C6D8 -907.42 1.46 -11.69 -2.65 0
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147831 53787489 1 SO6N7C37H55 AB6C7D37E55 -214.76 8.93 -8.91 -0.75 0
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147832 53787490 1 NO3C26H27 AB3C26D27 -45.54 3.66 -8.44 -0.46 0
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147833 53787491 1 SN2O3C26H26 AB2C3D26E26 -56.54 5.11 -8.44 -0.63 0
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147834 53787492 1 ClO2C17H17 AB2C17D17 -45.38 3.41 -9.25 -0.61 0
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147835 53787493 1 N3O11H21C24 A3B11C21D24 -256.55 7.58 -9.78 -1.51 0
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147836 53787494 1 ON3C9H17 AB3C9D17 -46.96 4.32 -9.13 1.15 0
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147837 53787495 1 SN2O2C9H10 AB2C2D9E10 -48.9 2.1 -9.19 -1.28 0
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147838 53787496 1 SN3O8C20H21 AB3C8D20E21 -285.38 7.89 -9.55 -2.29 0
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147839 53787497 1 NO2C9H13 AB2C9D13 -53.02 2.12 -8.42 -0.05 0
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147840 53787498 2 FNOH3C6 ABCD3E6 -86.14 6.08 -9.48 -1.55 0
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147841 53787499 1 ON4C17H24 AB4C17D24 12.81 5.39 -8.09 0.48 0
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147842 53787500 1 NO3C10H13 AB3C10D13 -83.28 4.63 -9.42 -0.64 0
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147843 53787501 1 OF3C11H11 AB3C11D11 -166.97 2.89 -9.5 -0.26 0
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147844 53787502 1 SN3O3C29H29 AB3C3D29E29 26.21 3.55 -8.63 -0.51 0
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147845 53787503 1 ClON2H11C14 ABC2D11E14 55.52 4.28 -9.37 -0.96 0
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147846 53787504 1 N5O7C22H27 A5B7C22D27 -246.76 4.99 -9.8 -0.54 0
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147847 53787505 1 N5O7C22H27 A5B7C22D27 -245.5 4.11 -9.79 -0.75 0
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147848 53787506 1 NC9H15 AB9C15 6.31 2.04 -8.94 2.9 0
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147849 53787507 1 Cl2N3O3H29C35 A2B3C3D29E35 -2.32 7.06 -9.09 -0.75 0
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147850 53787508 1 NSO3C6H7 ABC3D6E7 -111.41 6.49 -9.19 -0.84 0
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147851 53787509 1 SO6C30H34 AB6C30D34 -202.45 3.42 -9.14 -0.16 0
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147852 53787510 1 ClS3N5O9C15H18 AB3C5D9E15F18 -274.83 4.8 -9.57 -1.17 0
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147853 53787511 1 FN3O4H16C17 AB3C4D16E17 -162.62 7.64 -9.99 -1.28 0
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147854 53787512 1 ClFS2N3O4C19H21 ABC2D3E4F19G21 -146.84 2.77 -9.22 -1.77 0
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147855 53787513 1 NO2H13C18 AB2C13D18 -7.63 2.83 -8.8 -1.32 0
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147856 53787514 1 ON2S2F3C15H19 AB2C2D3E15F19 -217.06 6.71 -9.1 -0.9 0
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147857 53787515 4 OC5H6 AB5C6 -148.88 3.31 -8.11 -0.39 0
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147858 53787516 1 NO4C25H45 AB4C25D45 -213.64 5.27 -9.13 0.88 0
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147859 53787517 1 O5N7H47C49 A5B7C47D49 14.68 7.62 -8.94 -0.7 0
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147860 53787518 1 N2O2C23H26 A2B2C23D26 -42.25 3.95 -8.72 -0.76 0
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147861 53787519 2 OC10H14 AB10C14 -73.44 1.0 -8.55 0.28 0
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147862 53787520 1 SO4C10H12 AB4C10D12 -125.37 5.95 -9.6 -1.71 0
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147863 53787521 1 PO4C24H27 AB4C24D27 -188.32 1.28 -9.16 -0.15 0
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147864 53787522 1 ClOC17H17 ABC17D17 -26.64 3.82 -8.67 -0.5 0
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147865 53787523 1 NO4C52H91 AB4C52D91 -281.05 4.28 -8.53 -0.26 0
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147866 53787524 2 N2H10C11 A2B10C11 107.56 2.1 -8.37 -0.57 0
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147867 53787525 2 ON2C12H13 AB2C12D13 -4.21 3.99 -8.11 -0.95 0
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147868 53787526 1 N2O3C37H48 A2B3C37D48 -118.71 6.0 -8.95 -0.72 0
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147869 53787527 1 N2O4C11H18 A2B4C11D18 -183.53 5.86 -9.16 -0.31 0
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147870 53787528 1 N3O8C26H37 A3B8C26D37 -239.93 2.4 -9.52 -0.46 0
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147871 53787529 1 SN3O4C13H21 AB3C4D13E21 -153.71 7.21 -9.39 -0.63 0
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147872 53787530 1 OSiN2C18H18 ABC2D18E18 32.8 4.62 -8.58 -1.08 0