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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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228681 87565534 1 OS2C16H20 AB2C16D20 -7.26 4.36 -8.68 0.06 0
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228682 87565535 1 OS2C16H18 AB2C16D18 3.13 3.45 -8.76 -0.06 0
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228683 87565536 1 SN3F6O6H23C26 AB3C6D6E23F26 -491.28 10.66 -10.01 -1.48 1
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228684 87565537 1 SN3F6O6H22C26 AB3C6D6E22F26 -447.76 9.33 0.0 0.0 0
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228685 87565539 1 C2N2F3H3 A2B2C3D3 -129.2 5.07 -10.13 -0.16 0
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228686 87565541 1 LiNC15H22 ABC15D22 27.04 5.75 -7.13 0.75 0
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228687 87565546 2 OC9H10 AB9C10 -40.2 6.71 -9.44 -0.93 0
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228688 87565547 1 O3H12C14 A3B12C14 -9.73 2.83 -9.27 -1.12 -4
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228690 87565551 1 O2H4N4C11 A2B4C4D11 121.13 0.9 -10.65 -2.1 0
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228691 87565552 1 PO7C18H27 AB7C18D27 -327.84 4.06 -10.09 -0.51 0
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228692 87565555 1 P2N3O15C30H55 A2B3C15D30E55 -840.09 6.12 -9.63 -0.1 0
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228693 87565556 2 NSC6H7 ABC6D7 60.41 2.58 -8.94 -0.67 0
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228694 87565557 1 Cl2O4N6C21H22 A2B4C6D21E22 -74.04 4.6 -9.01 -0.73 0
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228696 87565560 2 NO4C9H16 AB4C9D16 -389.2 5.58 -9.99 0.23 0
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228697 87565562 1 SCl2O2N13C46H47 AB2C2D13E46F47 174.15 4.43 -8.64 -0.85 1
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228698 87565564 1 N3O5C29H30 A3B5C29D30 -47.52 5.95 0.0 0.0 0
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228699 87565566 1 PF2N2O6C28H31 AB2C2D6E28F31 -363.44 3.68 -9.43 -0.37 0
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228700 87565568 1 SN4O7C23H32 AB4C7D23E32 -239.9 2.85 -9.68 -0.98 0
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228702 87565571 1 PF2N2O7C28H31 AB2C2D7E28F31 -397.21 5.85 -8.72 -0.26 0
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228703 87565572 1 PSF2N2O6C27H31 ABC2D2E6F27G31 -360.67 3.94 -9.41 -0.62 0
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228704 87565575 1 N5F6H13C16 A5B6C13D16 -237.41 7.8 -8.96 -1.06 0
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228705 87565577 1 ON2C14H14 AB2C14D14 52.01 3.23 -9.24 -0.83 0
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228706 87565578 1 ON2C14H14 AB2C14D14 51.61 2.35 -9.22 -0.81 0
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228707 87565580 1 N2O2F7H21C25 A2B2C7D21E25 -390.79 7.92 -9.57 -0.73 0
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228708 87565581 1 O4C27H44 A4B27C44 -220.54 2.77 -8.76 0.04 0
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228709 87565587 1 LiNC12H18 ABC12D18 19.57 5.46 -6.8 0.79 0
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228710 87565589 1 OCl2F3N3H22C24 AB2C3D3E22F24 -152.12 6.04 -9.54 -0.76 0
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228711 87565590 1 OCl2F3N3H22C24 AB2C3D3E22F24 -151.01 2.34 -9.43 -0.61 0
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228712 87565591 1 SbO2C7H14 AB2C7D14 -56.75 1.4 0.0 0.0 0
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228713 87565599 2 NH9C10 AB9C10 79.41 1.11 -7.75 -1.21 0
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228714 87565600 1 S2F3N3O5C18H24 A2B3C3D5E18F24 -357.62 7.56 -8.87 -0.86 0
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228715 87565601 1 S2N3O3C16H23 A2B3C3D16E23 -110.77 4.5 -8.61 -0.53 0
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228716 87565602 1 OSN2C12H22 ABC2D12E22 -8.1 0.85 -8.96 -0.29 0
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228717 87565607 1 F3O5C9H11 A3B5C9D11 -382.26 6.54 -11.19 -0.92 0
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228718 87565608 1 F3O5C9H11 A3B5C9D11 -372.45 3.81 -11.31 -1.39 0
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228719 87565609 1 F3O5C9H11 A3B5C9D11 -377.86 4.45 -11.51 -1.78 0
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228720 87565610 1 N7O8C52H53 A7B8C52D53 13.86 6.25 -8.43 -1.78 0
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228721 87565613 1 FSN2O2C24H25 ABC2D2E24F25 -45.5 5.9 -9.31 -0.41 2
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228723 87565620 1 SF3N3O3C14H18 AB3C3D3E14F18 -242.92 10.36 -8.91 -0.94 0
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228724 87565621 1 OSN3C12H17 ABC3D12E17 -5.75 4.52 -8.84 -0.19 0
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228725 87565622 1 FN2O2S2C22H23 AB2C2D2E22F23 -39.77 3.65 -9.15 -0.9 0
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228726 87565623 1 ClFSO3N4C23H28 ABCD3E4F23G28 -100.23 3.43 -9.05 -0.57 0
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228727 87565624 1 ClFO2S2N6H12C20 ABC2D2E6F12G20 57.89 6.3 -8.92 -1.44 0
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228728 87565626 1 FSO3N4C23H27 ABC3D4E23F27 -65.44 4.78 -9.05 -0.38 0
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228729 87565627 1 ON4C15H24 AB4C15D24 4.5 2.88 -8.84 -0.29 0
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228730 87565630 1 FSN4O4C27H33 ABC4D4E27F33 -122.98 7.49 -9.13 -0.44 0
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228731 87565632 1 FO3N4C22H23 AB3C4D22E23 -73.69 4.47 -9.04 -0.76 0
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228732 87565635 1 FSN3O4C24H26 ABC3D4E24F26 -117.1 5.15 -9.11 -0.45 0
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228733 87565639 1 FON2S2C20H21 ABC2D2E20F21 9.83 2.5 -8.95 -0.7 0
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228734 87565643 1 SN3F6O6H17C24 AB3C6D6E17F24 -466.28 5.85 -9.66 -1.45 0
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228735 87565645 1 SN3F6O7H19C24 AB3C6D7E19F24 -523.81 7.57 -9.65 -1.65 0
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228736 87565646 1 NaSO3C10H16 ABC3D10E16 -62.54 4.58 0.0 0.0 0
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228737 87565647 1 NO3F6H21C23 AB3C6D21E23 -386.96 2.83 -9.76 -1.21 0
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228738 87565648 1 SN4O5F6H22C24 AB4C5D6E22F24 -465.55 6.11 -9.74 -1.25 0
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228739 87565650 1 OC30H62 AB30C62 -193.39 2.34 -10.09 2.83 0
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228740 87565652 1 SN4O4C40H40 AB4C4D40E40 5.23 8.54 -8.84 -0.61 0
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228741 87565653 1 N3O8C24H43 A3B8C24D43 -397.05 7.59 -9.53 0.0 0
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228742 87565654 1 FSN3O4C21H24 ABC3D4E21F24 -143.08 4.13 -8.92 -0.26 0
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228743 87565655 1 N3O6C26H47 A3B6C26D47 -326.5 1.83 -9.26 0.32 0
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228744 87565657 1 SN2F3O4C13H15 AB2C3D4E13F15 -285.42 3.39 -9.11 -0.88 0
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228745 87565658 1 SN2O2C11H14 AB2C2D11E14 -38.25 4.96 -9.24 -0.52 0
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228746 87565660 1 ON3F7H24C26 AB3C7D24E26 -347.89 4.76 -9.75 -0.96 0
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228747 87565663 1 FSN3O4C25H28 ABC3D4E25F28 -116.67 4.44 -9.06 -0.21 0
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228748 87565664 1 H4C5F6 A4B5C6 -265.88 1.28 -10.79 -1.09 0
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228749 87565665 1 N2C4O7H8 A2B4C7D8 -127.96 1.5 -11.76 -1.39 1
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228750 87565668 1 ClSF3N3O5C23H24 ABC3D3E5F23G24 -279.87 7.85 0.0 0.0 0
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228751 87565671 1 O5C7H16 A5B7C16 -237.76 3.63 -10.59 0.14 0
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228752 87565672 1 NOC9H17 ABC9D17 -58.63 3.55 -10.31 0.4 0
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228753 87565673 1 BrO2N4H7C9 AB2C4D7E9 42.27 3.0 -9.58 -1.24 0
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228754 87565674 1 OF2H8C9 AB2C8D9 -87.31 1.38 -9.92 -0.54 0
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228755 87565677 1 NSiO10C25H43 ABC10D25E43 -552.99 8.69 -9.74 -0.14 0
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228757 87565683 1 O9C11H20 A9B11C20 -422.92 9.3 -10.57 -0.42 0
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228758 87565685 1 SF3O6H17C18 AB3C6D17E18 -322.41 4.01 -9.41 -2.01 0
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228759 87565689 1 ON7H23C24 AB7C23D24 121.49 5.53 -8.9 -0.77 0
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228760 87565690 1 ON7H23C24 AB7C23D24 119.74 3.76 -8.82 -0.88 0