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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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29623 835854 1 ON4C15H20 AB4C15D20 21.47 2.7 -8.77 -0.34 0
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29624 835875 2 O2H9C11 A2B9C11 -80.87 3.73 -9.63 -0.67 0
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29625 835877 1 ON3C17H21 AB3C17D21 -12.71 3.25 -9.39 -0.38 0
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29626 835879 1 N2O2C11H14 A2B2C11D14 -58.69 4.97 -9.78 -0.49 0
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29627 835881 1 N2O2C11H14 A2B2C11D14 -58.54 4.9 -9.76 -0.5 1
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29628 835884 1 N3O3H12C13 A3B3C12D13 8.63 7.86 0.0 0.0 0
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29629 835906 1 O2N3H19C21 A2B3C19D21 0.69 2.16 -9.65 -0.99 0
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29630 835913 1 NO2C17H19 AB2C17D19 -47.33 2.62 -9.15 0.04 0
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29631 835921 1 ON3H11C12 AB3C11D12 20.14 2.79 -9.17 -0.85 0
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29632 835926 1 SO2N3C13H15 AB2C3D13E15 -13.2 5.54 -9.39 -0.95 0
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29633 835927 1 N2O3H14C18 A2B3C14D18 -19.42 3.91 -9.0 -1.16 0
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29634 835935 1 NO4C19H23 AB4C19D23 -129.77 2.47 -8.78 -0.35 0
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29635 835939 1 NO2C20H25 AB2C20D25 -73.92 3.36 -8.93 0.18 0
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29636 835949 1 NO4C15H19 AB4C15D19 -152.8 1.53 -8.74 -0.67 0
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29637 835951 1 NO3H15C18 AB3C15D18 -57.7 3.19 -8.72 -0.49 0
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29638 835966 1 NOC13H19 ABC13D19 -52.14 4.33 -9.52 -0.06 0
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29639 835967 1 NOCl2C12H15 ABC2D12E15 -59.93 3.47 -9.82 -0.91 0
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29640 835977 2 NOC11H12 ABC11D12 -25.06 2.99 -7.84 -0.49 0
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29641 836018 1 FON2H11C13 ABC2D11E13 -39.45 1.91 -9.07 -0.63 0
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29642 836028 1 N4O4H14C15 A4B4C14D15 -79.34 4.88 -9.12 -0.79 0
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29643 836031 1 NOC15H21 ABC15D21 -60.06 3.33 -8.5 0.35 0
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29644 836042 1 O2N5C13H21 A2B5C13D21 -66.5 4.95 -8.91 -0.35 0
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29645 836044 1 NO3C21H25 AB3C21D25 -114.86 3.14 -9.11 -0.65 0
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29646 836136 1 BrNO2C14H16 ABC2D14E16 -63.54 9.31 -8.47 -0.7 0
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29647 836145 1 NOC13H15 ABC13D15 -26.43 4.02 -8.6 -0.34 0
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29648 836155 1 NO2C15H15 AB2C15D15 -40.54 3.35 -8.9 -0.07 0
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29649 836159 1 NO2C17H19 AB2C17D19 -51.34 4.26 -8.76 -0.05 1
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29650 836160 1 N2O4C14H19 A2B4C14D19 -138.23 3.33 0.0 0.0 0
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29651 836173 1 NO2C23H23 AB2C23D23 -23.03 1.86 -8.24 0.1 0
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29652 836174 1 NOC19H23 ABC19D23 -22.95 3.95 -9.47 0.01 0
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29653 836182 1 ClNO2H12C15 ABC2D12E15 -33.99 2.26 -9.13 -1.08 0
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29654 836190 1 NO2C13H17 AB2C13D17 -82.83 4.48 -8.72 0.0 0
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29655 836213 1 N2O2C15H16 A2B2C15D16 -40.22 1.25 -9.16 -0.28 0
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29656 836216 1 NOSC10H15 ABCD10E15 -40.9 3.26 -9.35 -0.36 0
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29657 836217 1 N3O5C14H17 A3B5C14D17 -99.66 3.86 -8.58 -0.93 0
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29658 836218 1 SN2O2H12C14 AB2C2D12E14 -6.62 3.28 -8.78 -0.88 0
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29659 836219 1 N2O3H10C14 A2B3C10D14 -13.15 6.38 -9.19 -1.17 0
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29660 836250 1 ClO2H13C15 AB2C13D15 -54.96 1.35 -9.04 -1.03 0
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29661 836263 1 ON3C13H13 AB3C13D13 13.14 2.47 -9.49 -0.44 0
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29662 836299 1 ClNO3C12H16 ABC3D12E16 -123.01 7.79 -8.18 -0.1 0
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29663 836307 1 ClNO3C18H20 ABC3D18E20 -95.22 7.23 -8.18 -0.1 0
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29664 836309 1 SN2O5C14H14 AB2C5D14E14 -158.72 5.33 -8.85 -0.84 0
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29665 836320 1 ON6C15H28 AB6C15D28 -38.05 2.37 -8.92 0.52 0
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29666 836324 2 OC7H9 AB7C9 -68.71 1.48 -8.97 0.13 0
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29667 836326 1 N2O3H18C19 A2B3C18D19 -40.95 3.95 -8.61 -0.29 0
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29668 836331 1 NOC16H17 ABC16D17 -17.07 3.65 -8.91 -0.23 0
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29669 836341 1 ON2C16H18 AB2C16D18 -12.36 2.18 -9.1 -0.14 0
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29670 836346 1 N3O3C13H13 A3B3C13D13 -97.19 5.0 -9.61 -0.85 0
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29671 836347 1 ON2C16H18 AB2C16D18 -2.11 5.11 -9.38 -0.39 0
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29672 836348 1 NOC18H21 ABC18D21 -18.73 3.42 -9.31 0.16 0
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29673 836357 1 NOC17H19 ABC17D19 -20.79 2.64 -8.79 0.18 0
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29674 836362 1 NOC18H21 ABC18D21 -21.97 4.22 -8.74 0.16 0
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29675 836364 1 NO2C18H21 AB2C18D21 -56.44 4.56 -8.25 0.16 0
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29676 836366 1 ClNOC16H16 ABCD16E16 -20.23 5.29 -9.14 -0.25 0
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29677 836378 1 O4C11H12 A4B11C12 -156.61 7.18 -9.95 -0.81 0
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29678 836413 1 NCl2O2H13C15 AB2C2D13E15 -54.72 5.0 -9.07 -0.63 0
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29679 836416 2 NOC7H7 ABC7D7 43.87 6.69 -9.43 -1.31 0
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29680 836434 1 FNO2H14C16 ABC2D14E16 -90.57 4.73 -9.21 -0.63 0
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29681 836436 1 ClN2O2C15H15 AB2C2D15E15 -45.25 2.44 -9.0 -0.76 0
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29682 836441 1 FO2C18H19 AB2C18D19 -109.71 1.12 -9.07 -0.28 0
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29683 836450 1 N2O2C15H16 A2B2C15D16 -35.37 5.26 -8.5 -0.61 0
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29684 836451 1 N2O2H18C19 A2B2C18D19 -21.91 2.76 -8.75 -0.84 0
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29685 836457 1 O3C22H28 A3B22C28 -119.33 1.22 -8.79 0.03 0
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29686 836461 1 O2S2N3C13H15 A2B2C3D13E15 -15.64 5.41 -8.5 -0.84 0
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29687 836462 1 O3H16C19 A3B16C19 -54.21 2.53 -8.81 -0.58 0
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29688 836465 1 NO2C18H21 AB2C18D21 -68.98 2.2 -8.8 0.08 0
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29689 836466 1 ClNO2C17H18 ABC2D17E18 -67.74 4.42 -8.89 -0.24 0
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29690 836516 1 BrON3H10C12 ABC3D10E12 20.91 2.07 -9.47 -1.23 0
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29691 836519 1 N2O2H14C17 A2B2C14D17 -6.38 3.3 -8.73 -0.84 0
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29692 836530 1 NO2C16H17 AB2C16D17 -56.33 4.23 -8.85 -0.1 0
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29693 836531 1 NO2C16H17 AB2C16D17 -56.15 4.21 -8.84 -0.13 0
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29694 836535 1 FON2H13C17 ABC2D13E17 -20.71 1.95 -8.73 -0.81 0
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29695 836540 1 ClNO2F3H13C16 ABC2D3E13F16 -210.71 5.3 -9.21 -0.9 0
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29696 836543 1 FOSN3C12H12 ABCD3E12F12 -27.33 2.53 -9.68 -1.12 0
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29697 836551 1 NO2C10H13 AB2C10D13 -79.98 2.81 -8.44 -0.01 0
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29698 836563 1 NO2H21C23 AB2C21D23 -14.26 2.55 -8.8 -0.67 0
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29699 836564 1 NO3C15H15 AB3C15D15 -83.51 5.67 -8.42 -0.44 0
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29700 836602 1 ON2C23H26 AB2C23D26 4.2 1.92 -8.92 -0.33 0
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29701 836609 1 ON2C18H22 AB2C18D22 -19.71 1.73 -9.16 -0.19 0
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29702 836611 1 NO2H19C22 AB2C19D22 -9.1 3.6 -8.98 -0.81 0
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29703 836613 1 O3H20C23 A3B20C23 -53.66 2.75 -9.25 -0.8 0
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29704 836630 1 NO3C17H19 AB3C17D19 -84.02 3.79 -8.52 -0.02 0
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29705 836631 1 NO3C17H19 AB3C17D19 -83.14 4.12 -8.46 0.01 0
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29706 836634 1 O2N3C13H13 A2B3C13D13 -18.4 3.54 -9.23 0.21 0
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29707 836650 1 N4O4H12C13 A4B4C12D13 -31.86 9.69 -9.77 -1.24 0
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29708 836659 1 ClNOH16C19 ABCD16E19 -3.29 4.52 -8.82 -0.68 0
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29709 836660 1 ClNO3C17H18 ABC3D17E18 -96.45 8.48 -8.14 -0.23 0
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29710 836666 1 NOS2C13H13 ABC2D13E13 4.09 2.75 -8.58 -0.49 0
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29711 836689 1 ON2F3H9C13 AB2C3D9E13 -144.14 2.57 -9.5 -1.28 0
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29712 836691 1 Cl2N2O2H12C15 A2B2C2D12E15 -56.91 5.87 -8.52 -1.05 0
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29713 836697 1 NO3C13H19 AB3C13D19 -118.84 3.46 -8.19 0.05 0
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29714 836699 1 NO3C13H19 AB3C13D19 -120.84 3.3 -8.4 0.04 0
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29715 836700 1 NSO5C16H17 ABC5D16E17 -161.6 7.66 -8.94 -0.68 0
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29716 836701 1 O2F3H13C16 A2B3C13D16 -206.4 2.37 -9.13 -1.43 0
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29717 836704 1 NOF3H12C18 ABC3D12E18 -137.04 3.31 -8.73 -1.22 0
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29718 836705 1 NOF3C14H16 ABC3D14E16 -202.96 4.76 -10.0 -0.99 0
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29719 836707 1 OSN2F3H11C16 ABC2D3E11F16 -138.33 1.28 -8.76 -1.58 1
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29720 836708 1 N2C15H17 A2B15C17 39.18 3.73 0.0 0.0 0
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29721 836710 1 ClNOF3H11C15 ABCD3E11F15 -170.24 2.86 -9.34 -0.95 0
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29722 836712 1 BrOS2N3H8C10 ABC2D3E8F10 42.38 3.75 -8.5 -1.47 0