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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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409677 135082460 1 BClO2C12H24 ABC2D12E24 -215.3 3.48 -9.95 1.19 0
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409678 135082461 1 BClO5C44H52 ABC5D44E52 -226.62 4.55 -8.59 0.05 0
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409679 135082462 1 BClNO5C47H55 ABCD5E47F55 -202.55 5.7 -8.7 -0.04 0
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409680 135082463 1 BNO2Si2C13H30 ABC2D2E13F30 -261.65 3.11 -8.48 1.44 0
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409681 135082464 1 BClNO2C18H29 ABCD2E18F29 -189.63 5.74 -10.4 0.68 -1
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409682 135082465 1 BNC20H32 ABC20D32 -1.05 3.91 -9.89 -0.52 0
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409683 135082466 1 BClNO2C20H33 ABCD2E20F33 -199.56 7.09 -10.22 0.69 0
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409684 135082467 1 BClNO2C19H31 ABCD2E19F31 -195.06 5.5 -10.41 0.52 0
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409685 135082468 1 BO4C15H23 AB4C15D23 -226.7 2.18 -8.56 0.44 0
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409686 135082469 1 BO4C18H25 AB4C18D25 -206.62 2.45 -8.07 0.27 0
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409687 135082470 1 BClC20H34 ABC20D34 -72.85 2.27 -9.47 0.28 0
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409688 135082471 1 B3O5H23C32 A3B5C23D32 -269.76 1.15 -8.64 -0.75 0
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409689 135082472 1 NO3C15H17 AB3C15D17 -100.68 2.32 -8.94 -0.69 0
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409690 135082473 1 SBr2Mg2N2O4C5H6 AB2C2D2E4F5G6 -280.07 4.08 -9.48 -1.27 0
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409693 135082476 1 OSH12C14 ABC12D14 33.89 2.67 -8.72 -0.89 0
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409694 135082477 1 LiO3C15H15 AB3C15D15 -76.68 7.12 -7.95 -0.39 0
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409695 135082478 1 ClLiO2C10H10 ABC2D10E10 -68.65 7.9 -8.41 0.88 0
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409696 135082479 1 ClS2N3H10C14 AB2C3D10E14 110.99 5.7 -9.57 -1.42 -1
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409697 135082480 1 CoN2O2C26H29 AB2C2D26E29 -63.75 20.62 -9.95 -5.51 0
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409698 135082481 1 O11C20H24 A11B20C24 -437.65 2.91 -9.8 -1.11 0
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409699 135082482 1 NOSLi2C9H9 ABCD2E9F9 113.37 30.26 -5.33 -1.0 0
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409700 135082483 1 SiO2C33H58 AB2C33D58 -222.45 2.33 -8.72 1.2 0
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409701 135082484 1 SiO2C21H40 AB2C21D40 -175.48 3.64 -8.76 0.87 0
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409702 135082485 1 TeSe2H4C5 AB2C4D5 82.95 1.94 -8.2 -2.5 0
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409703 135082486 1 SO2H6C10 AB2C6D10 -18.42 4.48 -8.75 -1.09 0
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409704 135082487 1 FSC3H3O6 ABC3D3E6 -262.29 1.85 -10.16 -0.99 0
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409705 135082488 1 FN2C13H15 AB2C13D15 -21.38 1.64 -8.41 0.01 0
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409707 135082490 1 ON2C33H33 AB2C33D33 98.47 3.3 0.0 0.0 0
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409708 135082491 1 NOPH30C35 ABCD30E35 94.75 3.44 -8.29 -0.13 0
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409709 135082492 1 IOSiC8H15 ABCD8E15 -60.23 2.84 -9.07 -0.93 0
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409711 135082496 1 PC29H33 AB29C33 110.17 2.58 -6.07 0.01 0
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409712 135082497 1 PBr2N2C32H41 AB2C2D32E41 13.34 3.81 -7.6 -0.49 0
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409713 135082498 1 BrNOPC26H39 ABCDE26F39 -42.57 7.07 -8.4 -0.55 0
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409714 135082499 1 AuPCl5H15C24 ABC5D15E24 146.76 2.06 -8.62 -1.63 0
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409717 135082502 1 AuNC8H8 ABC8D8 130.25 8.96 -8.48 0.26 0
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409722 135082507 1 AuNC16H24 ABC16D24 213.67 4.91 -8.6 -1.9 0
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409723 135082508 1 AuNH10C13 ABC10D13 186.67 4.37 -8.91 -1.68 -1
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409724 135082509 1 AuClP2C8H22 ABC2D8E22 -3.96 6.59 -7.09 -0.63 0
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409725 135082510 1 AuBrP2C8H22 ABC2D8E22 14.91 2.72 -7.32 -1.02 1
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409726 135082511 1 PC2S2H3 AB2C2D3 -11.79 2.06 -8.71 -0.51 1
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409727 135082512 1 PSe2H5C6 AB2C5D6 102.83 2.45 -8.4 -0.67 0
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409728 135082513 1 N2S2O3C12H18 A2B2C3D12E18 -105.82 5.61 -9.06 -0.1 0
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409729 135082514 1 NO7C15H21 AB7C15D21 -318.5 5.22 -9.96 0.04 0
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409731 135082516 1 FeP2O4C28H40 AB2C4D28E40 -242.12 2.29 -7.9 0.41 0
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409732 135082517 1 PO2C14H20 AB2C14D20 -58.01 0.43 0.0 0.0 0
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409733 135082518 2 PO4H10C13 AB4C10D13 -325.64 2.83 -8.44 -0.53 0
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409734 135082519 1 PO6C17H17 AB6C17D17 -234.21 1.67 -8.71 -0.7 0
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409735 135082520 1 ClHgO2C9H13 ABC2D9E13 -73.62 7.17 -9.51 -0.83 0
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409736 135082521 1 TiN2O2C12H28 AB2C2D12E28 -115.39 10.32 -7.7 -2.59 0
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409737 135082522 2 SeN2O2H10C14 AB2C2D10E14 88.67 3.94 -8.22 -2.11 0
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409738 135082523 2 SeH6C10 AB6C10 124.76 5.22 -7.94 -2.28 0
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409739 135082524 1 N2O2H6C7 A2B2C6D7 -3.14 2.45 -10.04 -1.59 0
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409740 135082525 2 H2N2O2C7 A2B2C2D7 62.54 0.02 -9.65 -2.52 2
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409741 135082526 2 N2O2H3C7 A2B2C3D7 27.83 4.04 -7.74 -1.76 0
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409742 135082527 1 ClNOC14H18 ABCD14E18 -23.96 3.17 -8.42 0.07 0
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409743 135082528 1 NOCl2C13H15 ABC2D13E15 -28.95 4.65 -8.74 -0.3 0
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409744 135082529 1 BNO2C11H16 ABC2D11E16 -129.4 3.88 -10.36 0.02 0
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409745 135082530 1 BC25H43 AB25C43 -43.66 0.69 -8.87 0.56 0
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409746 135082531 1 BC15H25 AB15C25 -37.8 0.52 -9.0 0.63 0
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409747 135082532 1 O7H20C28 A7B20C28 -172.92 2.11 -8.66 -0.86 0
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409748 135082533 1 SN2O4C11H12 AB2C4D11E12 -127.42 4.41 -10.3 -0.84 0
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409753 135082538 1 BNC10H18 ABC10D18 -46.27 2.47 -8.22 1.87 0
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409754 135082539 2 BC6H10 AB6C10 -16.84 0.01 -8.68 -0.11 0
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409755 135082540 2 BC3H3 AB3C3 166.4 0.0 -5.9 -1.62 0
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409756 135082541 3 BNC6H12 ABC6D12 -120.03 2.01 -7.97 1.22 0
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409757 135082542 1 FKNH3C5 ABCD3E5 -7.7 9.88 -7.31 0.22 0
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409758 135082543 1 FKNH5C9 ABCD5E9 9.59 10.2 -7.15 -0.24 1
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409759 135082544 1 NC2H2Se2 AB2C2D2 60.64 1.84 0.0 0.0 0
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409760 135082545 1 NOSeH4C6 ABCD4E6 31.86 1.01 0.0 0.0 0
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409761 135082546 1 NO4H7C13 AB4C7D13 -84.14 11.04 -9.62 -2.05 0
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409762 135082547 1 OH2P2 AB2C2 -24.0 3.57 -9.86 0.18 0
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409763 135082548 1 SeH2P2 AB2C2 93.48 0.67 -8.98 -0.47 0
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409764 135082549 1 ClPO2C16H34 ABC2D16E34 -189.08 6.66 -9.06 1.31 0
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409765 135082550 1 ClPO2C24H28 ABC2D24E28 -58.05 7.98 -8.9 0.05 0
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409766 135082551 1 BrPO2C24H28 ABC2D24E28 -42.49 5.6 -8.72 -0.19 0
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409767 135082552 1 ClPO2C18H40 ABC2D18E40 -209.43 6.47 -9.12 1.55 0
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409768 135082553 1 FeO4H5C7 AB4C5D7 63.97 4.58 0.0 0.0 0
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409769 135082554 1 FePO2H20C25 ABC2D20E25 53.1 3.81 0.0 0.0 0
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409770 135082555 1 NO7H29C31 AB7C29D31 -188.0 3.83 -8.83 -0.3 0
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409772 135082557 1 PtC16H24 AB16C24 148.11 2.11 -9.04 -0.92 -1
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409773 135082558 1 PtC17H18 AB17C18 170.76 2.59 -9.25 -1.65 0
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409774 135082559 2 C6H7 A6B7 61.3 0.68 -9.14 0.54 -1
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409776 135082561 1 PtSP2F3O3H29C32 ABC2D3E3F29G32 -54.88 1.92 -8.44 -2.01 -1
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409777 135082562 1 PtC28H42 AB28C42 210.11 10.47 -5.24 -3.1 0
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409778 135082563 2 C9H14 A9B14 -12.27 0.25 -8.13 0.96 -1
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409780 135082565 1 PtH30C38 AB30C38 242.81 3.09 -8.39 -1.44 0
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409781 135082566 1 BClNSnC27H33 ABCDE27F33 76.89 17.62 -6.15 -1.45 0
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409782 135082567 1 BO3C30H33 AB3C30D33 -113.44 3.08 -9.11 0.19 0
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409783 135082568 1 BPN3O8C17H25 ABC3D8E17F25 -303.83 8.04 -8.4 -0.81 0
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409784 135082569 1 BClO3C25H38 ABC3D25E38 -236.76 4.7 -9.12 0.55 -1
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409785 135082570 1 BNC13H26 ABC13D26 -45.07 4.11 -9.92 -0.44 -1
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409786 135082571 1 BNC11H13 ABC11D13 40.77 3.55 0.0 0.0 0
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409787 135082572 1 BClNO2C21H35 ABCD2E21F35 -206.48 1.91 -10.24 0.78 0
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409788 135082573 1 BClNO3C27H39 ABCD3E27F39 -212.27 4.44 -9.64 0.1 0
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409789 135082574 1 BO4C38H45 AB4C38D45 -167.96 3.16 -9.25 0.11 0
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409790 135082575 1 BO5C43H51 AB5C43D51 -207.53 0.53 -8.47 0.12 0
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409791 135082576 1 BClO3C24H36 ABC3D24E36 -230.88 5.08 -9.38 0.34 0
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409792 135082577 1 BClO3C26H40 ABC3D26E40 -242.4 3.27 -9.26 0.43 0
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409793 135082578 1 BClO2C24H42 ABC2D24E42 -232.16 3.34 -9.54 0.84 0
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409794 135082579 1 BO4C26H33 AB4C26D33 -187.58 4.61 -9.01 0.18 0