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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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18626 544749 1 NOSC8H15 ABCD8E15 -69.14 6.3 -9.08 0.07 0
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18627 544795 3 BOC4H9 ABC4D9 -394.16 0.06 -9.87 1.02 0
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18628 544823 1 S2N4O5H16C21 A2B4C5D16E21 2.94 9.59 -8.9 -1.82 0
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18629 544844 1 O2F3N3H12C13 A2B3C3D12E13 -175.77 5.58 -9.02 -0.85 0
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18630 544865 1 SCl2N2O5H16C17 AB2C2D5E16F17 -163.68 6.53 -9.09 -1.66 0
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18631 544878 1 ON4C12H16 AB4C12D16 38.23 4.01 -8.82 -0.1 0
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18632 544886 1 NPO3C5H12 ABC3D5E12 -205.47 6.21 -10.27 1.0 0
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18633 544887 1 NO2C7H13 AB2C7D13 -107.45 6.22 -9.8 0.57 0
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18634 544914 1 NOC6H11 ABC6D11 -7.09 5.21 -9.76 1.06 0
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18635 544915 1 NO3C9H17 AB3C9D17 -119.48 1.06 -9.4 0.89 0
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18636 544917 1 N4O7C20H38 A4B7C20D38 -267.61 3.69 -8.92 0.72 0
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18637 545008 1 ClN2O3C15H17 AB2C3D15E17 -120.83 3.11 -9.32 -0.45 0
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18638 545020 1 BrFN2O2C20H20 ABC2D2E20F20 -74.32 5.72 -8.9 -0.76 0
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18639 545024 1 ON6C10H18 AB6C10D18 32.37 5.75 -8.84 -0.77 0
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18640 545031 1 ClSN2O2F6H11C14 ABC2D2E6F11G14 -358.16 7.37 -9.02 -1.24 0
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18641 545063 1 ON2H16C17 AB2C16D17 29.13 3.66 -9.31 0.06 0
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18642 545072 1 ON4H18C19 AB4C18D19 71.97 2.58 -8.44 -0.43 0
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18643 545102 1 SO3C9H16 AB3C9D16 -165.06 1.43 -9.46 -0.01 0
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18644 545111 1 N2O2C5H12 A2B2C5D12 -10.64 4.39 -9.25 0.1 0
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18645 545213 1 NO3C11H21 AB3C11D21 -163.01 3.89 -9.86 0.72 0
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18646 545215 2 BrC4H7 AB4C7 -10.31 2.25 -10.37 -0.61 0
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18647 545217 1 NSF2C7H9 ABC2D7E9 -68.41 6.33 -9.21 -0.74 0
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18648 545223 1 OC7H14 AB7C14 -58.39 1.47 -10.07 0.87 0
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18649 545238 1 NOF7C12H18 ABC7D12E18 -431.69 4.92 -10.56 -0.16 0
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18650 545247 1 O2C9H18 A2B9C18 -128.46 0.5 -9.88 2.3 0
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18651 545285 1 OC13H26 AB13C26 -87.8 3.63 -9.85 0.62 0
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18652 545290 1 NO3C13H23 AB3C13D23 -101.29 5.63 -10.18 -0.47 0
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18653 545304 2 OC8H15 AB8C15 -135.78 2.41 -9.98 0.95 0
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18654 545312 2 OC6H12 AB6C12 -152.09 1.89 -10.32 1.14 0
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18655 545344 1 SO2C11H18 AB2C11D18 -124.19 4.14 -9.49 0.06 0
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18656 545361 1 N3O4C15H19 A3B4C15D19 -161.62 5.97 -10.19 -0.68 0
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18657 545365 1 OC11H20 AB11C20 -67.08 3.13 -9.4 0.75 0
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18658 545426 1 PO4C6H11 AB4C6D11 -210.2 3.08 -10.58 0.26 0
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18659 545430 1 NO4C12H19 AB4C12D19 -121.53 6.04 -10.56 -1.06 0
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18660 545461 2 NSF3O3C9H13 ABC3D3E9F13 -598.22 4.15 -9.35 -1.18 0
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18661 545491 4 O2C9H16 A2B9C16 -509.71 3.26 -10.35 0.75 0
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18662 545553 1 OC14H30 AB14C30 -113.59 2.02 -9.99 2.9 0
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18663 545565 1 OC28H48 AB28C48 -127.55 1.94 -9.06 1.54 0
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18664 545621 1 O6C53H102 A6B53C102 -488.6 2.45 -10.48 0.6 0
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18665 545662 2 OC4H8 AB4C8 -121.55 4.58 -10.01 0.43 0
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18666 545663 3 OC6H12 AB6C12 -213.9 3.64 -10.28 0.49 0
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18667 545684 2 O3C6H10 A3B6C10 -288.57 0.78 -10.27 0.28 0
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18668 545774 12 CH2 AB2 -34.87 0.52 -10.14 2.81 0
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18669 545945 2 C9H19 A9B19 -91.04 0.06 -10.44 4.1 0
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18670 545955 1 C13H28 A13B28 -63.44 0.04 -10.36 4.14 0
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18671 545956 2 C11H23 A11B23 -109.73 0.08 -10.22 4.09 0
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18672 545983 1 OC12H24 AB12C24 -94.62 3.17 -9.91 0.76 0
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18673 546094 2 SC5H11 AB5C11 -51.49 2.41 -8.68 -0.74 0
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18674 546122 1 NO4C12H23 AB4C12D23 -234.52 3.51 -9.8 0.47 0
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18675 546124 1 Cl2O2C7H10 A2B2C7D10 -54.16 2.6 -10.25 0.05 0
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18676 546135 1 N3O5C15H21 A3B5C15D21 -196.14 3.19 -9.68 -0.16 0
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18677 546136 1 ClPC11H16 ABC11D16 -40.95 2.91 -9.06 0.46 0
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18678 546158 1 O2C11H22 A2B11C22 -137.44 3.13 -10.17 2.65 0
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18679 546186 1 SO2C20H34 AB2C20D34 -129.65 1.7 -9.14 -0.16 0
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18680 546191 2 OC4H8 AB4C8 -84.27 2.2 -9.4 1.22 0
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18681 546192 1 NOC9H17 ABC9D17 -49.8 4.04 -9.24 0.94 0
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18682 546226 1 NO4C12H21 AB4C12D21 -216.26 5.7 -10.28 0.01 0
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18683 546277 1 ClN4C12H15 AB4C12D15 74.89 3.37 -9.01 -0.75 0
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18684 546369 1 N3O6C13H19 A3B6C13D19 -273.16 3.61 -10.16 -0.8 0
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18685 546370 2 N2O3C6H9 A2B3C6D9 -174.81 6.61 -10.28 -1.12 0
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18686 546384 1 OC14H28 AB14C28 -111.86 2.18 -10.14 2.91 0
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18687 546402 1 NO3C13H25 AB3C13D25 -173.98 2.53 -9.84 0.55 0
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18688 546408 1 O2C11H22 A2B11C22 -141.51 2.08 -10.46 0.98 0
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18689 546412 1 FN2O2C12H19 AB2C2D12E19 -148.44 4.66 -9.68 -0.68 0
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18690 546415 1 NOC12H15 ABC12D15 5.94 3.47 -9.43 0.19 0
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18691 546428 1 OC12H16 AB12C16 -24.84 1.67 -9.39 0.34 0
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18692 546431 1 O2N4C11H16 A2B4C11D16 -65.33 2.5 -8.88 0.21 0
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18693 546438 1 NO2C14H21 AB2C14D21 -93.49 6.99 -10.31 -1.02 0
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18694 546441 1 ZnC28H50 AB28C50 145.12 2.2 -7.02 -1.6 0
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18695 546446 1 B2O4C9H18 A2B4C9D18 -315.96 2.45 -10.83 1.36 0
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18696 546450 1 ClON2C12H13 ABC2D12E13 5.01 3.6 -9.6 -1.02 0
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18697 546455 1 NO3C10H13 AB3C10D13 -123.27 11.78 -9.22 -0.92 0
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18698 546524 1 ClON2C15H23 ABC2D15E23 -64.65 6.58 -8.86 -0.01 0
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18699 546536 1 SN2O4C10H14 AB2C4D10E14 -109.47 6.83 -9.16 -1.12 0
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18700 546537 1 SN2O3C11H18 AB2C3D11E18 -146.16 1.92 -9.38 -0.3 0
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18701 546540 1 SN2O2C13H24 AB2C2D13E24 -116.17 3.58 -8.57 -0.13 0
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18702 546679 1 NF3O5C14H22 AB3C5D14E22 -414.31 2.98 -10.73 -0.32 0
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18703 546719 1 SO3N4C16H18 AB3C4D16E18 40.75 6.47 -8.89 -1.69 0
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18704 546720 1 N2F3O3C17H23 A2B3C3D17E23 -289.53 3.54 -8.7 -0.09 0
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18705 546721 1 O2N3C15H21 A2B3C15D21 3.88 3.41 -8.74 -0.8 0
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18706 546752 1 ClN2F3O4C15H18 AB2C3D4E15F18 -318.2 1.64 -8.7 -0.36 0
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18707 546757 1 NCl4O4H17C18 AB4C4D17E18 -134.23 1.99 -9.7 -1.3 0
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18708 546764 1 NBr2O2C15H19 AB2C2D15E19 -77.29 3.29 -9.61 -0.75 0
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18709 546775 1 N2O2C15H22 A2B2C15D22 -68.32 3.5 -9.0 -0.02 0
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18710 546796 2 OC13H24 AB13C24 -164.06 1.58 -9.35 0.91 0
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18711 546812 1 ClNO3C17H20 ABC3D17E20 -104.25 2.05 -9.16 -0.78 0
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18712 546824 1 P2C23H40 A2B23C40 -45.48 0.25 -8.15 0.5 0
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18713 546826 1 IN2O3C17H31 AB2C3D17E31 -175.84 3.68 -9.38 -0.79 0
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18714 546865 2 MoO2C15H21 AB2C15D21 -85.03 10.89 -7.66 -0.42 -10
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18715 546869 1 O2C61H122 A2B61C122 -363.85 1.95 -10.23 0.82 0
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18716 546906 1 NSC8H19 ABC8D19 -22.17 2.11 -8.39 1.0 0
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18717 546915 1 N3C10H21 A3B10C21 38.74 2.18 -8.73 1.02 0
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18718 546990 2 OC5H9 AB5C9 -110.78 1.82 -9.7 0.53 0
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18719 546991 1 O3C6H8 A3B6C8 -124.45 1.61 -10.25 -0.2 0
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18720 546996 1 OC6H12 AB6C12 -54.95 0.86 -9.09 1.54 0
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18721 546998 1 NO2C8H17 AB2C8D17 -125.4 5.62 -9.9 1.13 0
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18722 547001 1 ON2C24H24 AB2C24D24 17.63 4.01 -8.38 -0.79 0
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18723 547002 1 FON2C20H21 ABC2D20E21 -46.35 4.15 -8.46 -0.5 0
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18724 547006 1 OC14H28 AB14C28 -106.13 3.38 -10.04 0.79 0
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18725 547007 1 OC8H16 AB8C16 -70.74 1.86 -10.2 2.96 0