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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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340531 127262542 1 NO3C13H13 AB3C13D13 -86.64 1.69 -9.15 -0.21 0
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340532 127262543 1 N2O2H12C15 A2B2C12D15 -9.32 4.39 -9.25 -0.61 0
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340533 127262544 1 N2O2H12C15 A2B2C12D15 -8.13 5.67 -9.11 -0.73 0
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340534 127262545 1 N2O2H12C15 A2B2C12D15 -7.71 6.08 -9.25 -0.68 0
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340535 127262546 1 N2O2H12C15 A2B2C12D15 -8.03 4.95 -9.2 -0.63 0
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340536 127262547 1 N2O2H12C15 A2B2C12D15 -8.67 4.98 -9.19 -0.69 0
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340537 127262548 1 NO2C14H15 AB2C14D15 -46.85 3.37 -9.47 0.14 0
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340538 127262549 1 NO3H13C14 AB3C13D14 -71.51 7.58 -9.52 -0.51 0
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340539 127262550 1 N2O2C11H12 A2B2C11D12 -44.43 4.67 -9.21 -0.68 0
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340540 127262551 1 N2O2C11H12 A2B2C11D12 -45.01 3.21 -9.17 -0.85 0
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340541 127262552 3 OH2N2C4 AB2C2D4 133.53 2.6 -8.58 -3.15 0
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340542 127262553 1 ClNO2H4C6 ABC2D4E6 -32.12 1.26 -9.36 -0.74 0
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340543 127262554 2 NH9C13 AB9C13 179.9 1.93 -8.49 -1.37 0
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340544 127262555 2 NOH5C7 ABC5D7 61.68 6.27 -9.18 -0.88 0
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340545 127262556 1 OBr2H8C17 AB2C8D17 51.35 4.66 -9.12 -1.9 0
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340546 127262557 1 NSSiO3C15H23 ABCD3E15F23 -147.31 7.17 -8.85 -0.07 0
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340547 127262558 1 ION3H22C24 ABC3D22E24 60.32 6.81 -8.3 -0.77 0
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340548 127262559 1 N4O4H16C17 A4B4C16D17 -37.08 4.7 -8.95 -0.55 0
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340549 127262560 1 IN2C33H39 AB2C33D39 106.27 22.39 -5.45 -1.61 0
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340550 127262561 1 BrClH2C3N4 ABC2D3E4 59.06 3.33 -9.62 -1.28 0
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340551 127262562 1 SO2N3H5C6 AB2C3D5E6 -18.3 5.37 -9.27 -1.27 0
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340552 127262563 1 ClFNaO2H3C7 ABCD2E3F7 -158.4 10.34 -9.53 -0.73 0
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340553 127262564 1 F3O3N4H7C9 A3B3C4D7E9 -210.04 6.58 -10.62 -1.93 0
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340554 127262565 1 F3O3N4H7C10 A3B3C4D7E10 -185.72 6.63 -10.62 -1.94 0
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340555 127262566 1 PN2O2H25C30 AB2C2D25E30 40.54 4.19 -8.48 -0.1 0
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340556 127262567 1 INOC12H14 ABCD12E14 6.41 3.36 -9.71 -1.29 0
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340557 127262568 1 FNOSC8H10 ABCDE8F10 -55.81 4.8 -9.86 -0.34 0
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340558 127262569 1 NO4C14H25 AB4C14D25 -232.03 3.43 -9.64 0.83 0
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340559 127262570 1 BNO3C7H10 ABC3D7E10 -164.86 5.17 -9.29 -0.34 0
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340562 127262573 1 ClN2O2C11H17 AB2C2D11E17 -104.06 4.92 -9.58 -0.29 0
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340563 127262574 1 BClNO2C16H21 ABCD2E16F21 -180.27 3.04 -8.23 -0.34 0
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340564 127262575 1 FCl2N2C10H15 AB2C2D10E15 -94.64 6.28 -9.26 -0.75 0
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340565 127262576 1 Cl2N2C11H18 A2B2C11D18 -50.19 4.73 -8.61 -0.14 0
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340566 127262577 2 ClNC6H10 ABC6D10 -57.41 5.21 -8.92 0.11 0
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340567 127262578 1 NO2C14H19 AB2C14D19 -78.59 1.88 -9.2 -0.56 0
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340568 127262579 1 NO2C14H19 AB2C14D19 -79.25 3.82 -9.12 -0.46 0
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340569 127262580 1 ON3H5C9 AB3C5D9 68.6 3.68 -9.84 -1.46 0
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340570 127262581 1 Cl2N3C8H15 A2B3C8D15 -36.93 3.54 -8.98 0.46 0
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340571 127262582 1 ClNO3C7H14 ABC3D7E14 -178.98 2.75 -9.7 0.03 0
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340572 127262583 2 NOC8H8 ABC8D8 -10.45 0.63 -8.38 0.12 0
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340573 127262584 1 ClSN3O7C16H20 ABC3D7E16F20 -244.26 1.99 -9.02 -1.1 0
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340574 127262585 1 Cl4N4O6C49H52 A4B4C6D49E52 -194.69 7.64 -8.86 -1.48 0
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340575 127262586 1 PN5O10C49H58 AB5C10D49E58 -327.2 4.33 -8.6 -0.94 0
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340576 127262587 1 ClINF3C8H8 ABCD3E8F8 -154.43 2.09 -9.82 -1.36 0
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340577 127262588 1 FINO2H3C6 ABCD2E3F6 -72.01 6.18 -10.44 -1.91 0
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340578 127262589 1 ON2C12H14 AB2C12D14 15.53 1.1 -9.39 -0.08 0
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340580 127262591 1 NCl2F4H7C8 AB2C4D7E8 -225.6 2.32 -9.7 -1.03 0
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340581 127262592 1 BN2O2C9H13 AB2C2D9E13 -126.64 7.05 -8.71 -0.11 0
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340582 127262593 1 NOF4H9C10 ABC4D9E10 -211.65 2.25 -9.56 -0.65 0
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340583 127262594 1 ClNO2H12C13 ABC2D12E13 -56.96 3.94 -9.32 -1.1 0
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340584 127262595 1 N2O6C29H34 A2B6C29D34 -153.98 10.83 -8.96 -0.59 0
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340585 127262596 1 BrO2N4C19H21 AB2C4D19E21 83.74 34.08 -5.7 -3.22 1
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340586 127262597 1 O2N4C19H21 A2B4C19D21 32.81 6.27 0.0 0.0 0
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340587 127262598 1 BrO3N4C19H21 AB3C4D19E21 -18.25 7.33 -8.32 -1.28 1
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340588 127262599 1 O3N4C19H21 A3B4C19D21 3.57 5.24 0.0 0.0 0
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340589 127262600 1 ClO2N3C9H12 AB2C3D9E12 -65.28 6.3 -9.8 -0.99 0
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340590 127262601 1 N2O6H16C19 A2B6C16D19 -154.77 2.01 -9.4 -1.16 0
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340591 127262602 1 BSO4C15H23 ABC4D15E23 -248.92 5.44 -9.86 -0.31 0
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340592 127262603 1 OSN4C16H22 ABC4D16E22 10.24 4.09 -8.15 -0.26 0
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340593 127262604 1 ClN5C9H16 AB5C9D16 15.12 6.94 -8.74 -0.62 0
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340594 127262605 1 SN3O3C7H7 AB3C3D7E7 -9.78 8.04 -9.41 -1.79 0
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340595 127262606 1 O2N3H11C13 A2B3C11D13 -13.96 3.75 -9.01 -0.89 0
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340596 127262607 1 SN2O4C13H18 AB2C4D13E18 -155.12 5.36 -8.38 -0.7 0
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340597 127262608 1 SN2O4C18H20 AB2C4D18E20 -118.15 3.81 -8.61 -0.62 0
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340598 127262609 1 N2O3C11H22 A2B3C11D22 -179.94 2.98 -9.4 0.67 0
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340599 127262610 1 NO2C20H23 AB2C20D23 -48.18 1.9 -8.98 -0.19 0
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340600 127262611 1 NO5C24H27 AB5C24D27 -178.19 4.47 -9.27 -0.91 0
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340601 127262612 1 NO5C24H27 AB5C24D27 -185.1 2.59 -9.23 -0.11 0
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340602 127262613 1 NO5C27H35 AB5C27D35 -227.84 3.01 -9.16 -0.18 0
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340603 127262614 1 NO5C28H37 AB5C28D37 -235.34 1.07 -9.03 0.0 0
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340604 127262615 1 ClF2N3O5C24H26 AB2C3D5E24F26 -259.71 7.68 -9.45 -1.51 0
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340605 127262616 1 BrClO2N3C12H15 ABC2D3E12F15 -84.19 2.22 -10.02 -1.18 0
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340606 127262617 1 ClNO2C11H14 ABC2D11E14 -112.19 2.09 -8.53 0.18 0
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340607 127262618 1 NaO2N7C17H18 AB2C7D17E18 -25.91 19.09 -8.44 -0.83 0
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340608 127262619 1 SiN3O4C23H39 AB3C4D23E39 -194.68 3.0 -8.89 -0.38 0