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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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408729 135081497 1 AuPO2C16H16 ABC2D16E16 48.11 4.93 -8.67 -1.48 0
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408730 135081498 1 AuPO3H20C26 ABC3D20E26 62.41 3.02 -8.53 -1.4 0
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408731 135081499 1 AuPH22C28 ABC22D28 198.24 1.95 -8.63 -0.77 0
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408732 135081500 1 AuFPC12H19 ABCD12E19 32.77 17.56 -6.2 -1.0 0
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408733 135081501 1 AuNPSH19C25 ABCDE19F25 334.2 5.5 -8.5 -1.28 0
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408734 135081502 1 AuNPSH17C21 ABCDE17F21 365.08 2.29 -7.63 -1.0 0
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408737 135081505 1 ClSP2O4H25C26 ABC2D4E25F26 7.9 7.39 -9.25 -2.64 -2
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408738 135081506 2 AuClPO5H16C20 ABCD5E16F20 135.59 27.4 -9.18 -3.7 -1
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408739 135081507 1 OPH16C20 ABC16D20 82.87 1.87 0.0 0.0 -2
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408740 135081508 2 AuClPC14H14 ABCD14E14 103.71 14.35 -8.86 -1.66 0
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408742 135081510 2 AuPH17C21 ABC17D21 308.45 10.1 -8.29 -1.17 0
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408744 135081512 1 AuClHC2 ABCD2 131.08 5.42 0.0 0.0 -1
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408745 135081513 1 AuBrHC2 ABCD2 235.74 0.18 0.0 0.0 -4
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408747 135081515 1 AuOPC22H22 ABCD22E22 102.4 2.5 -8.62 -1.21 0
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408748 135081516 1 AuNPH17C20 ABCD17E20 155.44 14.68 -8.2 -0.96 0
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408749 135081517 1 AuSbC14H20 ABC14D20 164.92 0.74 -8.59 -1.15 0
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408750 135081518 1 AuPC26H38 ABC26D38 165.98 27.02 -5.8 -2.4 0
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408751 135081519 1 NPC19H22 ABC19D22 61.07 1.38 -8.41 0.18 0
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408752 135081520 1 TlO4H5F6C7 AB4C5D6E7 -416.51 7.32 -11.12 -4.06 0
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408753 135081521 1 O3C15H20 A3B15C20 -121.96 2.02 -8.28 0.12 1
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408754 135081522 1 N2O2H9C17 A2B2C9D17 71.0 2.57 0.0 0.0 1
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408755 135081523 1 ON5H12C18 AB5C12D18 168.89 8.73 0.0 0.0 1
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408756 135081524 1 O2N6C17H21 A2B6C17D21 3.73 8.49 0.0 0.0 1
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408757 135081525 1 BN2O2C6H6 AB2C2D6E6 -76.05 3.51 0.0 0.0 0
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408758 135081526 2 O3C15H23 A3B15C23 -271.65 7.48 -9.04 -1.24 0
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408759 135081527 1 O7H28C33 A7B28C33 -155.76 16.05 -8.44 -1.34 0
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408760 135081528 1 BC14H27 AB14C27 -66.29 0.1 -9.32 0.68 0
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408761 135081529 1 BC16H31 AB16C31 -78.41 0.03 -9.18 0.73 0
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408762 135081530 1 NO8C21H29 AB8C21D29 -372.44 4.97 -9.61 -0.9 0
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408763 135081531 2 NOC4H5 ABC4D5 -13.42 5.37 -9.43 -0.39 1
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408764 135081532 1 N2O2C8H11 A2B2C8D11 -6.57 5.07 0.0 0.0 0
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408767 135081535 1 ClOPN2H10C13 ABCD2E10F13 38.86 4.9 -9.28 -0.68 0
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408768 135081536 1 PtSI2C6H12 ABC2D6E12 26.67 3.08 -8.7 -2.69 0
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408769 135081537 1 PtSeCl2C6H12 ABC2D6E12 110.93 2.43 -9.11 -3.96 0
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408770 135081538 1 SeC6H12 AB6C12 4.99 1.68 -8.23 0.37 0
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408771 135081539 1 PtSeBr2C6H12 ABC2D6E12 64.24 2.17 -8.64 -3.1 0
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408772 135081540 1 BOC11H21 ABC11D21 -101.24 1.5 -9.76 0.92 0
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408773 135081541 1 BNC15H26 ABC15D26 -40.79 2.39 -8.2 1.82 0
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408774 135081542 2 BC4H7 AB4C7 -22.44 0.27 -8.34 0.88 1
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408775 135081543 1 KC9H15 AB9C15 9.67 8.45 -5.56 0.5 1
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408776 135081544 1 KC7H11 AB7C11 8.14 9.15 -5.38 0.31 1
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408777 135081545 1 KC10H15 AB10C15 19.44 9.1 -5.54 0.27 0
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408778 135081546 5 C2H3 A2B3 24.37 0.81 0.0 0.0 1
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408779 135081547 1 KSC9H9 ABC9D9 28.03 10.34 -6.47 0.04 0
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408780 135081548 2 KH2C4 AB2C4 99.67 14.37 -5.9 0.75 0
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408781 135081549 1 KH3F4C7 AB3C4D7 -186.51 9.12 -6.99 -0.31 0
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408782 135081550 1 BrKH6C7 ABC6D7 7.26 10.08 -6.32 -0.21 0
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408783 135081551 1 ClKH6C7 ABC6D7 -2.23 9.61 -6.11 -0.13 0
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408784 135081552 1 BrKH6C7 ABC6D7 7.19 9.45 -6.21 -0.15 0
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408785 135081553 1 FKH6C7 ABC6D7 -28.16 7.1 -7.2 0.65 0
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408786 135081554 1 FKH6C7 ABC6D7 -29.8 6.79 -7.25 0.65 0
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408787 135081555 1 FKH6C7 ABC6D7 -29.47 7.02 -7.22 0.63 1
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408788 135081556 1 OSiK2C9H18 ABC2D9E18 -71.16 14.54 -5.17 0.68 0
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408789 135081557 1 OSiC9H19 ABC9D19 -70.51 2.17 0.0 0.0 0
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408790 135081558 1 FKO2C8H8 ABC2D8E8 -91.25 8.02 -6.93 -0.05 0
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408791 135081559 1 KO2F3H6C8 AB2C3D6E8 -188.3 10.38 -7.44 -0.17 0
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408792 135081560 1 KF2O2H3C7 AB2C2D3E7 -153.88 6.74 -7.44 -0.15 0
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408793 135081561 1 FKH10C13 ABC10D13 -27.72 7.98 -6.17 0.04 0
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408794 135081562 1 FKH10C13 ABC10D13 -25.69 8.19 -6.52 -0.15 1
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408795 135081563 1 KC8H13 AB8C13 26.8 10.37 -5.47 0.2 1
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408796 135081564 1 KC9H15 AB9C15 25.06 8.55 -5.31 0.35 0
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408797 135081565 3 C3H5 A3B5 22.99 0.29 0.0 0.0 1
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408798 135081566 1 KC15H23 AB15C23 72.99 21.7 -3.91 -1.25 0
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408799 135081567 1 C15H23 A15B23 26.34 0.57 0.0 0.0 0
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408800 135081568 1 N2O2S2C5H6 A2B2C2D5E6 -55.26 1.85 -9.34 -1.58 0
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408801 135081569 1 NOH7C11 ABC7D11 36.43 7.39 -8.7 -1.8 0
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408802 135081570 1 SeN4H8C13 AB4C8D13 124.99 0.9 -8.39 -1.42 0
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408804 135081572 2 N2O4C24H27 A2B4C24D27 -180.55 23.09 -6.21 -2.76 0
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408805 135081573 1 LiNC8H8 ABC8D8 91.9 9.24 -7.52 1.44 0
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408806 135081574 1 NNaC8H8 ABC8D8 62.54 6.89 -6.89 0.57 0
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408807 135081575 1 KNC8H8 ABC8D8 48.58 8.51 -6.61 0.1 0
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408808 135081576 1 OH12C16 AB12C16 78.2 2.23 -8.9 -0.42 0
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408809 135081577 3 OC2H4 AB2C4 -57.99 2.44 -9.93 0.07 0
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408813 135081582 1 ClO2C11H15 AB2C11D15 -76.02 1.62 -8.94 0.1 0
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408814 135081583 1 O4C19H24 A4B19C24 -159.75 3.52 -10.2 -1.16 0
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408815 135081584 1 O2C21H22 A2B21C22 -14.39 4.38 -8.99 -0.22 0
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408816 135081585 1 O2C21H22 A2B21C22 -15.85 4.42 -8.85 -0.36 0
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408818 135081587 1 FeCl2N3C11H15 AB2C3D11E15 42.67 5.42 -8.3 -0.6 0
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408819 135081588 1 FeBr2N3C11H15 AB2C3D11E15 19.28 2.68 -7.93 -0.92 -1
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408820 135081589 1 FNNiOPH36C40 ABCDEF36G40 72.78 3.14 0.0 0.0 0
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408821 135081590 1 FNOC16H16 ABCD16E16 -43.0 3.52 -8.38 -1.24 0
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408822 135081592 1 ClNOC16H16 ABCD16E16 -5.96 4.04 -8.4 -1.28 0
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408823 135081593 1 ZrCl2H30C35 AB2C30D35 38.03 5.17 -8.38 -1.66 0
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408824 135081594 5 H6C7 A6B7 196.31 0.74 -7.44 -1.98 0
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408825 135081595 1 PdBr2N2C24H32 AB2C2D24E32 29.98 6.03 -7.72 -1.18 0
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408826 135081596 1 FeBr2N3C15H23 AB2C3D15E23 81.97 9.64 -6.92 -0.9 0
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408827 135081597 1 FeCl2N3C15H23 AB2C3D15E23 -112.22 8.83 -8.79 -0.84 0
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408828 135081598 3 H8C9 A8B9 127.86 0.62 -8.89 -0.23 0
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408830 135081600 1 NSiO2C24H25 ABC2D24E25 -37.22 5.32 -8.18 -0.48 0
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408831 135081601 1 INSC8H10 ABCD8E10 44.46 4.54 -8.54 -0.84 -1
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408832 135081602 1 NSiTiCl2C23H31 ABCD2E23F31 130.17 9.68 -8.1 -2.87 0
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408833 135081603 1 NSiC23H32 ABC23D32 -21.83 0.85 0.0 0.0 -2
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408835 135081605 1 BNSn2C15H36 ABC2D15E36 17.47 3.38 -7.65 -0.33 0
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408836 135081606 1 LiS2F3O4H6C8 AB2C3D4E6F8 -329.94 9.37 -10.38 -0.97 0
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408837 135081607 1 LiSe2C4H7 AB2C4D7 20.41 7.7 -6.76 1.0 0
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408838 135081608 1 SN3H9C11 AB3C9D11 100.12 3.39 -9.0 -0.78 0
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408839 135081609 1 SN3H11C16 AB3C11D16 134.54 3.15 -8.95 -0.97 0
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408840 135081610 1 NOC11H20 ABC11D20 -58.31 4.07 0.0 0.0 0
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408841 135081611 1 O3C7H12 A3B7C12 -144.31 3.0 -10.39 0.28 0
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408842 135081612 1 NSO5C19H33 ABC5D19E33 -256.31 3.38 -9.54 0.2 0