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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