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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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336561 127255568 1 O2F3N7C24H26 A2B3C7D24E26 -163.27 7.24 -8.47 -0.69 0
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336562 127255569 1 O3F6N7H25C26 A3B6C7D25E26 -351.28 7.14 -8.41 -0.88 0
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336563 127255570 1 Cl2F3O3N7C28H30 A2B3C3D7E28F30 -226.88 7.4 -8.28 -0.65 0
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336564 127255571 1 NOC21H27 ABC21D27 -19.77 1.56 -8.23 0.27 0
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336565 127255572 1 N2O3H6C8 A2B3C6D8 -40.68 4.81 -10.12 -2.09 0
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336566 127255573 2 ClN2O2C5H5 AB2C2D5E5 -105.25 8.17 -9.79 -1.33 0
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336567 127255574 1 NBr2O2H5C9 AB2C2D5E9 -44.27 5.15 -9.41 -1.49 0
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336568 127255575 1 ClON2H7C9 ABC2D7E9 11.0 2.96 -9.31 -1.2 0
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336569 127255576 1 NO4H7C10 AB4C7D10 -131.97 2.36 -9.45 -1.48 0
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336570 127255577 2 BrNH9C15 ABC9D15 146.02 0.21 -8.01 -0.93 0
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336571 127255578 1 BrO3H7C9 AB3C7D9 -82.1 4.4 -9.33 -0.88 0
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336572 127255579 1 FN2H5C9 AB2C5D9 24.94 5.34 -9.18 -0.95 0
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336573 127255580 1 ON2C9H10 AB2C9D10 -2.24 1.55 -8.5 -0.05 0
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336574 127255581 1 N3O4C33H41 A3B4C33D41 -140.87 3.93 -9.35 -0.14 0
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336575 127255582 1 NOC17H19 ABC17D19 -14.23 3.67 -8.23 -0.17 0
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336576 127255583 1 ClN2O2C13H15 AB2C2D13E15 -72.88 5.03 -9.84 -0.92 0
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336577 127255584 1 SiN2O7C24H32 AB2C7D24E32 -209.99 8.89 -9.7 -1.78 0
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336578 127255585 2 NO3C10H18 AB3C10D18 -337.86 6.86 -9.52 0.16 0
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336579 127255586 1 F2N2O6H44C45 A2B2C6D44E45 -247.3 3.31 -8.49 -0.17 0
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336580 127255587 1 NO18H47C49 AB18C47D49 -616.78 11.42 -8.94 -1.24 0
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336581 127255588 1 FO6C20H21 AB6C20D21 -270.74 5.86 -10.23 -0.9 0
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336582 127255589 1 NOCl3C11H14 ABC3D11E14 -65.8 2.06 -8.7 -0.77 0
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336583 127255590 2 N2O4C13H23 A2B4C13D23 -424.48 5.9 -9.47 -0.34 0
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336584 127255591 1 BrNO5H6C8 ABC5D6E8 -109.61 4.23 -10.19 -1.71 0
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336585 127255592 1 ClNC8H20 ABC8D20 -78.08 3.5 -9.46 2.08 0
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336586 127255593 1 NaS3N8O8C18H19 AB3C8D8E18F19 -250.38 11.32 -9.0 -1.16 0
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336587 127255594 1 N3O4C20H37 A3B4C20D37 -227.86 6.73 -9.83 -0.27 0
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336588 127255595 1 O20C39H50 A20B39C50 -811.26 8.01 -8.93 -1.16 0
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336589 127255596 1 S2O5N9C19H19 A2B5C9D19E19 19.39 4.06 -7.52 -0.94 0
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336590 127255597 1 SO13N19C59H89 AB13C19D59E89 -517.93 7.51 -9.25 -0.55 0
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336592 127255599 1 NaSF2N3O5C16H16 ABC2D3E5F16G16 -287.56 9.66 -7.84 -0.79 0
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336593 127255600 1 N3O15C17H25 A3B15C17D25 -665.01 8.38 -10.09 -0.31 0
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336596 127255603 2 O4N5C35H48 A4B5C35D48 -236.28 5.7 -8.26 -0.17 0
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336597 127255604 1 SN12O12C40H78 AB12C12D40E78 -586.51 4.31 -9.07 -0.93 0
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336600 127255607 1 ClF2S2O3N5H28C31 AB2C2D3E5F28G31 -108.52 3.28 -8.73 -1.22 0
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336606 127255613 1 NSO22C25H45 ABC22D25E45 -965.25 5.65 -9.3 -1.0 1
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336607 127255614 1 CaF3O4H22C26 AB3C4D22E26 -286.56 5.6 0.0 0.0 0
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336608 127255615 1 O7N8C23H32 A7B8C23D32 -173.4 9.83 -9.23 -1.2 0
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336609 127255616 1 N10O14C73H104 A10B14C73D104 -610.31 9.76 -8.61 -0.31 0
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336610 127255617 1 O6N8C27H38 A6B8C27D38 -201.57 2.32 -8.02 -0.64 0
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336611 127255618 1 SN7O9C51H77 AB7C9D51E77 -352.46 4.18 -8.31 -1.54 0
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336612 127255619 1 SN6O6C39H62 AB6C6D39E62 -247.49 9.81 -8.43 -0.64 0
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336615 127255622 2 O2C15H24 A2B15C24 -118.73 4.82 -9.16 0.75 0
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336616 127255623 1 N2F3O6C29H29 A2B3C6D29E29 -324.85 12.91 -8.72 -1.87 0
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336617 127255624 1 N2O2F3C25H25 A2B2C3D25E25 -169.35 5.72 -8.27 -1.25 0
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336618 127255625 1 N2O4C27H30 A2B4C27D30 -132.0 3.86 -9.04 -0.24 0
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336619 127255626 1 ClSN6O6C41H67 ABC6D6E41F67 -283.24 8.59 -8.43 -0.56 0
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336620 127255627 1 SN6O6C41H66 AB6C6D41E66 -256.55 5.99 -8.64 -0.69 0
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336621 127255628 1 ClPN2O5C16H20 ABC2D5E16F20 -280.52 4.95 -9.29 -0.55 0
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336622 127255629 1 FNO2C22H30 ABC2D22E30 -130.53 15.01 -7.65 -1.35 0
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336623 127255630 1 NaSN2O5C20H23 ABC2D5E20F23 -209.84 5.85 -8.44 -0.58 0
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336624 127255631 1 FSN5O5C35H48 ABC5D5E35F48 -226.25 5.67 -8.73 -0.5 0
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336626 127255633 1 PN2O8C24H29 AB2C8D24E29 -338.9 2.78 -8.45 -0.36 0
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336627 127255634 1 O4C27H44 A4B27C44 -223.93 4.23 -8.51 0.32 0
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336628 127255635 1 I2O2N5H23C27 A2B2C5D23E27 160.92 35.07 -5.0 -3.24 2
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336629 127255636 1 O2N5H23C27 A2B5C23D27 141.03 5.39 -4.52 -2.62 0
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336630 127255637 1 O3C27H44 A3B27C44 -181.16 1.54 -8.65 0.22 0
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336632 127255639 1 ClN3O8C31H46 AB3C8D31E46 -334.81 6.9 -8.58 -0.47 0
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336633 127255640 1 N6O10C49H78 A6B10C49D78 -463.87 3.78 -8.55 -1.53 0
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336634 127255641 1 ClN3O8C31H44 AB3C8D31E44 -300.48 6.7 -8.85 -1.56 0
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336635 127255642 1 N2O3C33H46 A2B3C33D46 -90.09 11.56 -9.46 -1.35 0
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336636 127255643 1 OCl2N3C18H19 AB2C3D18E19 27.42 5.06 -8.84 -0.86 0
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336637 127255644 1 CaP2N10O16C36H48 AB2C10D16E36F48 -651.1 9.56 -4.88 -1.3 0
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336638 127255645 1 CaNNaP2C5O7H13 ABCD2E5F7G13 -466.01 6.99 0.0 0.0 0
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336639 127255646 1 NaP2N7O16C19H27 AB2C7D16E19F27 -746.37 12.62 0.0 0.0 0
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336640 127255647 2 MgPC3H5O6 ABC3D5E6 -614.82 20.1 -9.45 -4.1 0
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336641 127255648 1 SrP2C6O12H14 AB2C6D12E14 -957.51 4.82 -9.67 -0.58 0
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336642 127255649 1 N2O2C5H8 A2B2C5D8 -78.44 4.02 -10.34 0.5 0
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336643 127255650 1 N2O4H16C17 A2B4C16D17 -96.07 5.43 -8.52 -0.77 0
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336644 127255651 1 ClN2O4C15H19 AB2C4D15E19 -193.19 4.72 -9.85 -1.71 0
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336645 127255652 1 N2O4C15H18 A2B4C15D18 -155.74 5.1 -9.6 -1.62 0
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336646 127255653 1 ClN2O3C11H19 AB2C3D11E19 -161.62 1.31 -9.29 -0.2 0
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336647 127255654 1 N2O3C11H18 A2B3C11D18 -130.44 3.51 -9.19 -0.19 0
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336648 127255655 1 ClN2O3C12H25 AB2C3D12E25 -210.1 5.59 -9.59 0.86 0
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336649 127255656 1 ClNO2C10H20 ABC2D10E20 -158.13 1.28 -9.18 0.76 0