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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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402551 135056347 1 BrClMgO2C3H4 ABCD2E3F4 -104.38 3.07 -10.1 -1.35 0
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402552 135056348 1 NF3O3H8C9 AB3C3D8E9 -256.38 4.39 -9.22 -0.71 0
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402553 135056352 1 NCl2H9C13 AB2C9D13 52.76 2.84 -9.51 -0.6 0
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402554 135056353 1 O5C11H14 A5B11C14 -194.11 3.41 -8.83 -0.15 0
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402555 135056358 2 O3C8H12 A3B8C12 -236.37 1.19 -8.48 0.17 0
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402556 135056378 1 KO2C18H31 AB2C18D31 -165.07 6.85 -9.11 0.39 0
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402558 135056380 1 N5O5C35H39 A5B5C35D39 -155.64 6.64 -8.12 -0.18 0
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402560 135056388 2 N2O3C17H19 A2B3C17D19 16.85 15.73 -5.94 -3.42 0
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402561 135056394 1 ClNO2C8H12 ABC2D8E12 -111.4 3.57 -9.86 0.44 0
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402562 135056398 1 N6O14C47H62 A6B14C47D62 -592.82 10.34 -9.41 -0.38 0
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402563 135056399 1 O11C13H26 A11B13C26 -514.42 3.11 -10.22 -0.33 0
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402564 135056404 2 ON2C6H8 AB2C6D8 -47.02 5.54 -10.76 -0.62 0
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402565 135056408 1 O11C12H22 A11B12C22 -483.11 4.85 -10.41 -0.54 0
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402566 135056413 1 N2C15H20 A2B15C20 30.24 3.25 -8.68 -0.63 0
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402567 135056414 1 O2C13H24 A2B13C24 -139.8 1.79 -10.79 0.88 0
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402568 135056425 1 ClNF3C8H9 ABC3D8E9 -174.22 5.49 -10.17 -0.42 0
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402569 135056438 1 ClNOSH8C13 ABCDE8F13 36.83 1.03 -9.02 -1.01 -2
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402570 135056451 1 PC6O9H11 AB6C9D11 -334.21 3.36 -10.57 -2.25 0
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402571 135056457 1 NO2C13H17 AB2C13D17 -49.61 2.67 -8.95 -0.12 1
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402572 135056459 1 NSeO2C11H12 ABC2D11E12 -49.06 4.49 0.0 0.0 0
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402573 135056461 1 OSeN2C9H10 ABC2D9E10 0.02 1.51 -7.85 -0.4 0
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402574 135056462 1 BrKNH5C8 ABCD5E8 17.93 10.44 -7.38 -0.27 0
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402575 135056464 1 O3C12H16 A3B12C16 -90.4 2.12 -8.35 -0.1 0
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402576 135056465 1 OF2N2H6C10 AB2C2D6E10 -52.38 2.63 -10.21 -1.02 0
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402577 135056468 1 ZnO2C10H14 AB2C10D14 135.08 3.35 -9.43 -1.75 0
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402578 135056469 1 O3C13H14 A3B13C14 -52.77 3.24 -9.48 -1.04 0
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402579 135056470 1 O2C13H18 A2B13C18 -68.75 2.45 -8.5 0.12 0
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402580 135056471 1 OC14H22 AB14C22 -34.94 0.91 -9.04 0.56 0
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402581 135056472 1 NO3C11H11 AB3C11D11 -13.88 6.04 -9.55 -1.38 0
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402582 135056474 1 NOC11H13 ABC11D13 -8.34 1.9 -9.2 -0.11 0
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402583 135056476 1 NS2O4C16H17 AB2C4D16E17 -78.17 2.41 -8.94 -1.07 0
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402584 135056479 1 OC12H18 AB12C18 -51.58 1.87 -9.33 0.39 0
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402585 135056480 1 NO4C8H17 AB4C8D17 -220.32 2.25 -10.47 0.82 0
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402586 135056482 1 O6C7H14 A6B7C14 -282.9 2.49 -10.38 -0.28 0
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402587 135056484 2 O2C3H6 A2B3C6 -188.1 1.66 -10.46 -0.04 -2
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402588 135056485 1 PC6O9H11 AB6C9D11 -333.37 3.73 -10.55 -2.4 0
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402589 135056487 1 O3C14H14 A3B14C14 -102.76 2.05 -9.33 -0.72 0
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402590 135056488 1 NO3C10H21 AB3C10D21 -186.82 3.49 -9.9 0.82 0
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402591 135056490 1 SO2H4N4C8 AB2C4D4E8 37.06 5.14 -9.14 -1.54 0
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402593 135056492 1 N2O3C11H20 A2B3C11D20 -169.41 3.23 -9.94 0.47 0
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402594 135056495 1 SSiO3C23H40 ABC3D23E40 -158.59 2.35 -8.25 0.32 0
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402595 135056498 2 OC6H8 AB6C8 -73.61 1.76 -8.63 0.34 0
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402596 135056501 1 OC13H16 AB13C16 -17.63 1.31 -9.07 0.28 0
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402597 135056502 1 NOC15H15 ABC15D15 30.79 3.83 -8.91 -0.34 0
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402598 135056503 1 NOC13H19 ABC13D19 -12.31 2.42 -8.59 0.38 0
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402599 135056504 1 BOF3C9H10 ABC3D9E10 -286.73 7.12 -10.07 -0.62 -1
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402600 135056505 1 BOF3C9H11 ABC3D9E11 -280.79 6.85 0.0 0.0 0
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402601 135056512 1 NOSC14H17 ABCD14E17 -4.83 1.75 -8.67 -0.66 0
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402602 135056530 1 O3C13H16 A3B13C16 -81.57 4.26 -8.28 0.2 0
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402603 135056538 1 ClS2N3C11H18 AB2C3D11E18 8.41 2.89 -8.47 -0.59 0
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402604 135056545 1 NO3C8H15 AB3C8D15 -147.38 2.42 -10.22 0.4 0
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402605 135056552 1 NOC12H21 ABC12D21 -58.11 3.08 -9.64 -0.03 0
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402606 135056553 2 OC7H11 AB7C11 -98.26 4.39 -9.55 -0.51 0
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402607 135056555 1 Si3C14H34 A3B14C34 -113.52 0.34 -7.05 0.36 0
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402608 135056557 1 BrFC12H14 ABC12D14 -32.22 1.1 -9.41 -0.5 0
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402609 135056558 1 FON3C9H10 ABC3D9E10 -3.77 3.56 -9.93 -0.28 0
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402610 135056559 1 BrNO2H18C19 ABC2D18E19 -2.75 6.45 -8.24 -0.31 0
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402611 135056562 1 O3C13H16 A3B13C16 -82.04 2.65 -8.96 0.09 0
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402612 135056563 1 NSO2C12H27 ABC2D12E27 -129.48 3.92 -8.4 0.6 0
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402613 135056567 1 NOC15H25 ABC15D25 -63.77 2.83 -9.6 0.08 0
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402614 135056571 1 FO3C11H11 AB3C11D11 -153.51 4.63 -9.89 -0.46 0
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402615 135056585 1 SN2C12H14 AB2C12D14 43.44 2.6 -8.57 -0.65 0
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402616 135056589 1 NO2C12H15 AB2C12D15 -80.53 5.78 -9.67 -0.18 0
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402617 135056591 1 FeOPC15H24 ABCD15E24 38.95 1.72 0.0 0.0 0
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402618 135056593 1 SN3O3C7H11 AB3C3D7E11 -64.7 4.48 -10.68 -0.46 0
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402619 135056605 1 O3C12H14 A3B12C14 -102.56 2.32 -9.65 -0.82 0
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402620 135056619 1 ClPC6O8H12 ABC6D8E12 -431.19 5.02 -11.16 -1.07 0
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402621 135056620 1 O5C6H12 A5B6C12 -227.43 2.96 -10.32 -0.18 0
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402622 135056622 1 NO3C12H13 AB3C12D13 -100.93 5.92 -8.91 -0.59 0
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402623 135056626 1 ClC12H15 AB12C15 3.55 1.77 -9.6 -0.01 0
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402624 135056629 2 OC6H7 AB6C7 -46.66 1.86 -8.84 0.29 0
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402625 135056630 1 OC10H16 AB10C16 -54.62 3.28 -9.63 0.74 0
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402626 135056631 1 PdO2H12C14 AB2C12D14 118.11 9.54 -6.98 -1.01 0
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402627 135056633 1 NOSC10H15 ABCD10E15 2.55 1.9 -8.89 -0.29 0
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402628 135056637 2 OSC6H7 ABC6D7 -45.69 2.48 -8.65 -0.33 0
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402629 135056639 1 PSC5O7H11 ABC5D7E11 -375.32 3.18 -10.1 -1.12 0
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402630 135056643 1 ISN2O2H9C11 ABC2D2E9F11 -16.69 4.98 -8.74 -1.26 0
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402631 135056645 1 OTiC5H10 ABC5D10 19.11 1.97 -7.66 -1.73 0
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402632 135056647 1 GeSC15H22 ABC15D22 50.52 0.76 -8.95 -0.17 0
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402633 135056648 1 SN2O4C11H14 AB2C4D11E14 -124.49 4.69 -9.23 -0.88 0
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402634 135056649 1 O3C12H16 A3B12C16 -128.24 2.22 -8.75 0.09 0
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402635 135056650 1 LiZnC10H19 ABC10D19 265.78 31.5 -3.74 -2.24 0
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402636 135056651 1 NO2H11C12 AB2C11D12 -26.5 4.62 -10.07 -0.7 0
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402637 135056659 1 O2C15H18 A2B15C18 -43.27 2.44 -8.71 0.3 0
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402638 135056661 1 O3C13H18 A3B13C18 -133.71 2.79 -9.7 -0.01 0
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402639 135056667 1 IOC12H13 ABC12D13 -7.03 2.31 -9.44 -0.88 0
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402640 135056669 1 OC15H26 AB15C26 -77.25 1.36 -9.46 1.1 0
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402641 135056670 1 N3C13H19 A3B13C19 43.58 5.26 -8.44 1.03 0
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402642 135056671 1 NOSC10H21 ABCD10E21 -55.94 2.86 -8.26 0.52 0
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402643 135056672 1 SeN2O2C9H12 AB2C2D9E12 -54.24 8.14 -8.97 -0.79 0
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402644 135056673 1 NSH7C9 ABC7D9 90.14 4.55 -8.6 -0.99 0
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402645 135056676 1 O3C13H16 A3B13C16 -93.6 5.79 -9.16 -0.39 1
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402646 135056678 1 BPC13H13 ABC13D13 152.56 5.68 0.0 0.0 0
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402647 135056683 1 ClNF2C12H14 ABC2D12E14 -117.31 8.07 -9.53 -0.04 0
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402648 135056692 1 SO2C12H18 AB2C12D18 -85.1 3.7 -8.55 -0.05 0
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402649 135056696 1 OSeN4C8H10 ABC4D8E10 25.49 5.27 -8.49 -0.84 0
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402650 135056700 1 SN4H8C10 AB4C8D10 101.87 5.5 -9.18 -1.29 -1
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402651 135056710 1 BClOF3C9H10 ABCD3E9F10 -295.51 2.74 0.0 0.0 0
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402652 135056711 1 O2C11H14 A2B11C14 -69.6 2.25 -9.11 -0.07 0
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402653 135056727 2 NOC7H7 ABC7D7 -34.78 1.51 -9.67 -0.97 0