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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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232577 87576453 1 OPC12H20 ABC12D20 -3.19 1.35 0.0 0.0 0
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232578 87576454 1 SN2O5H30C31 AB2C5D30E31 -138.02 3.89 -8.9 -1.02 1
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232579 87576455 1 OPC12H20 ABC12D20 1.59 2.0 0.0 0.0 0
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232582 87576462 1 N2H5F7C11 A2B5C7D11 -308.2 5.68 -10.22 -1.44 0
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232583 87576463 1 ON2S2C7H14 AB2C2D7E14 6.93 11.1 -6.38 -0.13 0
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232584 87576464 2 FNO2H10C13 ABC2D10E13 -190.65 9.92 -9.0 -1.53 0
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232585 87576465 1 ClN2O2H3C6 AB2C2D3E6 28.27 4.65 -9.35 -1.48 0
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232586 87576466 1 N2O3H12C17 A2B3C12D17 33.66 2.82 -9.61 -1.62 1
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232587 87576470 1 PO4C8H18 AB4C8D18 -197.61 3.28 0.0 0.0 0
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232588 87576471 1 O2H18C29 A2B18C29 114.51 0.92 -8.7 -1.76 0
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232589 87576472 1 O3C14H16 A3B14C16 -96.05 2.79 -9.62 -0.26 0
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232590 87576473 2 PC26H35 AB26C35 -93.71 1.3 -8.05 -0.15 0
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232591 87576474 1 O3N5F7H14C18 A3B5C7D14E18 -426.94 5.28 -9.61 -1.19 0
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232592 87576475 1 OTeH8C10 ABC8D10 1.7 2.49 -8.41 -0.93 0
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232593 87576477 1 O4C17H30 A4B17C30 -196.87 6.02 -10.78 -0.36 0
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232594 87576478 1 OTeH6C9 ABC6D9 16.95 3.65 -8.54 -0.99 0
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232595 87576481 1 NSO6C9H15 ABC6D9E15 -232.17 4.1 -9.16 -0.38 0
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232596 87576483 1 NSO6C9H15 ABC6D9E15 -229.32 5.64 -9.04 -0.17 0
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232597 87576485 1 O3C10H24 A3B10C24 -158.74 2.22 -9.72 1.43 0
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232598 87576492 1 ISeH5C8 ABC5D8 60.03 1.91 -8.66 -0.97 0
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232599 87576493 1 OSeC11H12 ABC11D12 -15.09 2.64 -8.32 -0.11 0
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232600 87576496 1 ClN4C8H11 AB4C8D11 19.18 2.98 -8.92 -0.08 0
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232601 87576500 1 PS3N5O13C82H82 AB3C5D13E82F82 -319.85 5.74 -8.72 -0.37 0
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232602 87576501 1 SiO2C4Cl4H8 AB2C4D4E8 -253.88 5.9 -10.91 -0.84 0
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232603 87576502 1 SiO2Cl3C4H7 AB2C3D4E7 -219.4 4.8 -10.97 -0.83 0
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232604 87576503 1 GeNO2C8H21 ABC2D8E21 -137.56 1.48 -9.43 1.18 0
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232605 87576505 1 N2O3C36H72 A2B3C36D72 -288.53 2.3 -9.77 0.42 0
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232608 87576510 2 OSN3C18H20 ABC3D18E20 53.04 1.98 -7.6 -1.39 0
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232609 87576512 1 ClO2N6C23H31 AB2C6D23E31 -61.36 4.79 -8.76 -0.15 0
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232610 87576514 2 NC7H8 AB7C8 123.92 5.24 -8.17 0.29 0
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232611 87576516 1 BrNO2C8H8 ABC2D8E8 -58.24 2.58 -9.17 -0.65 0
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232612 87576517 1 NPbC8H18 ABC8D18 8.31 3.03 0.0 0.0 0
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232613 87576518 1 SO7C16H30 AB7C16D30 -361.82 4.16 -11.08 -0.55 0
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232614 87576521 1 NNaSO5C10H13 ABCD5E10F13 -243.49 10.45 0.0 0.0 0
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232615 87576523 1 ClSO4N6H21C22 ABC4D6E21F22 -17.56 11.02 -9.28 -1.31 -1
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232616 87576524 1 FCl2S2N11O14C85H91 AB2C2D11E14F85G91 -464.58 21.59 0.0 0.0 0
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232617 87576526 1 SN3O4C16H17 AB3C4D16E17 -74.55 4.7 -9.54 -1.61 0
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232618 87576528 1 FO3N4C25H27 AB3C4D25E27 -124.5 6.84 -8.55 -1.24 0
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232619 87576529 1 NSiS2O4C9H17 ABC2D4E9F17 -250.33 3.92 -8.45 -0.63 0
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232620 87576536 1 CCoFeHN ABCDE 151.7 20.24 0.0 0.0 0
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232621 87576545 1 ClN2C12H15 AB2C12D15 8.77 4.04 -10.01 -0.6 0
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232622 87576549 1 CCdSN3H5 ABCD3E5 47.31 5.95 -8.55 0.14 0
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232623 87576550 1 AgSC12H25 ABC12D25 -72.77 17.39 -8.88 -4.53 0
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232624 87576551 1 OSeC12H14 ABC12D14 -25.97 2.01 -8.04 -0.15 0
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232625 87576554 1 NO2C13H29 AB2C13D29 -150.47 4.61 -9.76 2.4 0
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232626 87576555 1 NO2C13H29 AB2C13D29 -152.46 2.23 -9.31 1.85 0
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232627 87576558 1 BrNOC2H6 ABCD2E6 -53.87 2.44 -9.43 -0.27 0
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232628 87576566 1 Cl2C11H22 A2B11C22 -83.92 2.49 -10.54 0.78 0
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232629 87576570 2 NO2C4H8 AB2C4D8 -193.46 4.71 -10.16 -0.02 0
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232630 87576572 1 BaOC7H8 ABC7D8 -145.41 1.49 -6.07 -0.42 0
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232631 87576574 1 OSeC12H14 ABC12D14 -23.23 2.43 -8.18 -0.3 0
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232632 87576577 2 ON2H9C10 AB2C9D10 20.85 4.09 -8.6 -0.84 0
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232633 87576578 1 NSO5H19C26 ABC5D19E26 -104.07 7.54 -9.11 -1.53 0
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232635 87576580 1 SC4N4H10 AB4C4D10 61.16 4.72 -8.77 -0.14 4
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232636 87576581 4 N2H9C11 A2B9C11 399.85 17.47 -6.65 -0.41 0
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232637 87576582 1 SiO3C11H21 AB3C11D21 -192.65 0.84 0.0 0.0 4
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232638 87576583 2 N4H19C22 A4B19C22 506.05 12.55 -7.05 -0.76 0
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232639 87576585 1 PO11C12H21 AB11C12D21 -563.72 5.9 -11.18 -0.04 0
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232640 87576586 1 SiCl3C12H25 AB3C12D25 -167.14 3.0 -10.3 -0.51 1
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232641 87576589 1 PO5C10H22 AB5C10D22 -248.86 4.49 0.0 0.0 0
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232642 87576595 1 Si2O3C38H43 A2B3C38D43 -57.69 1.93 0.0 0.0 0
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232643 87576600 4 NO2C14H15 AB2C14D15 -243.59 6.56 -8.46 -1.39 0
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232644 87576613 1 ClO2N5C15H16 AB2C5D15E16 -21.02 2.85 -9.08 -0.53 0
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232646 87576626 1 FO2N3H22C24 AB2C3D22E24 -35.23 4.42 -9.34 -0.99 0
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232647 87576628 1 O4C7H10 A4B7C10 -169.68 3.96 -10.17 -1.32 0
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232649 87576632 1 ClOSiN6C21H35 ABCD6E21F35 -64.68 5.52 -8.73 -0.14 0
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232650 87576634 1 BrClSiO2N5C21H29 ABCD2E5F21G29 -39.27 5.3 -7.32 -0.68 0
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232651 87576636 1 O5C8H14 A5B8C14 -232.95 4.03 -10.11 0.37 0
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232652 87576637 1 ZnO10C16H26 AB10C16D26 -476.18 3.76 -9.96 -0.91 0
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232653 87576642 2 BrC6H12 AB6C12 -64.18 4.0 -10.38 -0.17 0
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232654 87576644 1 SN3O7C24H25 AB3C7D24E25 -239.29 13.13 -9.55 -1.7 0
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232655 87576647 1 ClO2N6C17H19 AB2C6D17E19 -11.85 5.62 -8.65 -0.4 -1
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232656 87576648 1 N2F3O6H20C22 A2B3C6D20E22 -299.28 11.31 0.0 0.0 1
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232657 87576649 1 N2F3O6C22H22 A2B3C6D22E22 -290.7 7.76 0.0 0.0 0
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232658 87576650 2 N2O4C8H15 A2B4C8D15 -348.35 6.86 -9.66 -0.21 0