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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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410659 135083460 1 BC30H38 AB30C38 54.83 7.06 0.0 0.0 0
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410660 135083461 1 S2O4C25H40 A2B4C25D40 -203.59 4.64 -8.55 0.34 0
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410661 135083462 2 OSC5H11 ABC5D11 -113.57 6.39 -9.09 0.83 0
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410662 135083463 1 B2S2F8C11H26 A2B2C8D11E26 -754.48 4.56 -10.41 -1.54 2
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410663 135083464 1 S2C11H26 A2B11C26 -28.69 3.62 -8.11 1.14 1
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410664 135083465 1 ON2C10H23 AB2C10D23 -42.47 1.73 0.0 0.0 1
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410665 135083466 1 ON2C18H29 AB2C18D29 -19.42 1.88 0.0 0.0 0
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410666 135083467 1 OC8H14 AB8C14 -42.51 2.01 -9.5 1.05 0
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410667 135083468 1 C3O3H4F6 A3B3C4D6 -392.8 2.33 -10.69 -0.37 0
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410668 135083469 1 N4O5C15H16 A4B5C15D16 -59.39 4.64 -9.56 -1.54 0
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410669 135083470 1 N2O3C12H16 A2B3C12D16 -10.83 4.31 -9.72 -0.92 0
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410670 135083471 1 BrOSC16H25 ABCD16E25 -48.99 6.93 -7.78 -0.66 0
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410671 135083472 1 N2S2C3H8O8 A2B2C3D8E8 -178.34 2.97 -9.96 -1.57 0
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410672 135083473 1 NSiO3C5H10 ABC3D5E10 -139.0 4.24 0.0 0.0 0
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410673 135083474 1 ClSH11C15 ABC11D15 83.55 1.11 -8.73 -0.64 0
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410674 135083475 1 P2O6C19H22 A2B6C19D22 -281.28 6.24 -9.37 -0.32 0
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410675 135083476 1 P2O6C23H30 A2B6C23D30 -316.01 5.18 -9.07 -0.25 0
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410676 135083477 1 AuFPC14H15 ABCD14E15 47.62 6.83 -8.67 -1.23 0
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410677 135083478 1 AuFPH19C20 ABCD19E20 100.33 2.49 -8.84 -1.01 0
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410678 135083479 1 AuFPH19C20 ABCD19E20 89.54 8.03 -7.96 -0.48 0
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410679 135083480 1 BiOH8F9C16 ABC8D9E16 -412.81 7.32 -9.92 -1.75 0
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410680 135083481 1 BiNOF6H16C18 ABCD6E16F18 -248.07 6.56 -8.83 -1.56 0
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410684 135083485 1 AuClP2H32C37 ABC2D32E37 212.6 12.38 -7.29 -2.14 0
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410685 135083486 1 AuClP2H34C38 ABC2D34E38 216.49 7.1 -8.54 -1.14 0
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410686 135083487 1 AuClP2H38C40 ABC2D38E40 157.2 8.45 -8.08 -1.23 0
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410688 135083489 1 AuClSiP2C10H28 ABCD2E10F28 -112.77 19.38 -7.42 -1.95 0
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410689 135083490 1 AuClP2Si2C13H36 ABC2D2E13F36 -258.85 12.38 -7.88 -0.3 0
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410690 135083491 2 AuPC9H12 ABC9D12 150.56 13.4 -7.96 -0.79 0
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410691 135083492 1 AuP2C31H31 AB2C31D31 181.6 9.65 -8.33 -0.62 0
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410692 135083493 1 AuSC6H17 ABC6D17 29.58 5.68 -7.42 0.1 0
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410693 135083494 1 AuOSC6H17 ABCD6E17 12.81 2.27 -8.16 0.09 0
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410694 135083495 1 AuPH24C31 ABC24D31 358.68 6.7 -7.3 -0.73 0
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410695 135083496 1 AuClFePH23C28 ABCDE23F28 442.33 7.97 -8.46 -0.83 0
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410696 135083497 1 AuOPC25H26 ABCD25E26 179.34 5.09 -8.51 -0.64 0
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410697 135083498 1 AuOPH20C22 ABCD20E22 111.87 8.96 -6.91 -1.19 0
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410698 135083499 1 AuPH26C27 ABC26D27 120.24 7.36 -7.03 -0.92 0
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410699 135083500 1 AuPC28H28 ABC28D28 249.27 1.62 -7.87 -1.47 0
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410700 135083501 1 AuBrFePH23C28 ABCDE23F28 547.13 2.56 -8.43 -1.76 0
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410701 135083502 1 AuFeOPH26C29 ABCDE26F29 169.85 6.56 -6.86 -0.84 0
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410702 135083503 1 N3O8C10H15 A3B8C10D15 -320.32 8.16 -9.34 -0.99 0
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410703 135083504 1 N3O7C9H13 A3B7C9D13 -273.59 6.32 -9.58 -0.9 0
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410704 135083505 2 OC5H6 AB5C6 -59.83 1.94 -9.49 -0.01 0
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410705 135083506 1 F3N3O10C29H32 A3B3C10D29E32 -535.77 7.06 -9.68 -0.47 0
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410706 135083507 1 N3O10C29H35 A3B10C29D35 -399.81 8.56 -9.85 -0.51 0
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410707 135083508 1 BSiC14H25 ABC14D25 -3.29 0.85 -9.17 0.67 0
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410708 135083509 1 BSiC16H25 ABC16D25 12.85 2.01 -8.89 0.02 -1
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410709 135083510 1 P2N7O14C21H26 A2B7C14D21E26 -553.21 18.93 0.0 0.0 0
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410710 135083511 1 ClNOC11H18 ABCD11E18 -84.35 2.6 -8.79 -0.04 0
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410711 135083512 1 NOSeC9H10 ABCD9E10 31.79 5.22 0.0 0.0 0
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410712 135083513 1 NSO4C7H13 ABC4D7E13 -157.81 5.22 -10.32 0.25 0
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410713 135083514 1 NS2O3C11H11 AB2C3D11E11 -75.87 4.78 -9.09 -1.31 0
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410714 135083515 1 NSO2C12H15 ABC2D12E15 -48.05 3.47 -9.98 -0.49 1
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410715 135083516 1 PWO11C22H24 ABC11D22E24 -324.71 18.72 0.0 0.0 0
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410716 135083517 1 LiOC11H13 ABC11D13 -40.52 4.88 -8.42 -0.34 0
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410717 135083518 1 NOF2C11H11 ABC2D11E11 -103.88 5.43 -9.32 -0.41 0
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410718 135083519 1 NSO2C11H15 ABC2D11E15 -77.06 1.61 -9.28 0.04 0
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410719 135083520 1 NO5C6H13 AB5C6D13 -231.88 1.76 -10.42 0.81 0
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410720 135083521 1 BSO2C10H15 ABC2D10E15 -118.08 3.71 -8.83 -0.25 0
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410721 135083522 1 OC13H14 AB13C14 16.98 2.02 -9.24 -0.22 0
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410722 135083523 1 O5C13H16 A5B13C16 -135.71 3.68 -9.53 -0.64 0
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410723 135083524 1 GeC16H22 AB16C22 42.53 1.66 -8.93 0.1 0
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410724 135083525 2 OC7H10 AB7C10 -94.73 3.07 -9.9 -0.28 0
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410725 135083526 2 OC6H8 AB6C8 2.78 2.57 -9.94 0.81 0
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410726 135083527 1 LiNSO2C11H12 ABCD2E11F12 -49.39 6.2 -8.61 0.0 0
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410727 135083528 1 LiSO2C12H15 ABC2D12E15 -78.16 2.65 -7.93 0.06 0
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410728 135083529 2 OC6H9 AB6C9 -39.02 0.67 -9.63 -0.09 0
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410729 135083530 1 SO3H12C13 AB3C12D13 -75.07 2.25 -9.28 -0.55 0
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410730 135083531 1 ON2C12H20 AB2C12D20 -36.94 8.02 -8.84 -0.23 1
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410731 135083532 1 ON2C12H21 AB2C12D21 -45.27 4.17 0.0 0.0 0
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410732 135083533 1 SiO3C12H16 AB3C12D16 -122.1 6.85 -10.12 -0.1 0
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410733 135083534 1 NO3C7H11 AB3C7D11 -104.1 2.85 -10.04 -0.07 0
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410734 135083535 1 NOH11C12 ABC11D12 30.3 4.37 -8.79 -0.61 0
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410735 135083536 1 NOSC10H21 ABCD10E21 -56.86 3.13 -8.28 0.52 0
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410736 135083537 1 O2C9H16 A2B9C16 -68.3 3.41 -9.62 0.96 0
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410738 135083539 2 OC7H7 AB7C7 7.51 3.7 -8.74 -0.19 0
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410739 135083540 1 OSF2N3H7C10 ABC2D3E7F10 -63.64 5.25 -9.24 -1.37 0
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410740 135083541 1 ClO2N3C4H6 AB2C3D4E6 -20.62 2.13 -11.26 -1.14 0
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410741 135083542 1 O2N3C4H5 A2B3C4D5 19.42 1.54 -10.77 -0.96 0
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410742 135083543 1 N3C16H25 A3B16C25 26.25 1.84 -8.31 0.47 0
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410743 135083544 1 SN3C9H17 AB3C9D17 15.91 5.21 -8.12 -0.03 0
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410744 135083545 1 LiOC12H15 ABC12D15 -40.24 5.78 -8.98 0.58 0
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410745 135083546 1 OC12H16 AB12C16 -27.52 2.46 -9.43 0.31 0
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410746 135083547 1 NSeO2C8H13 ABC2D8E13 -69.07 6.19 -8.51 -0.58 0
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410747 135083548 1 ClO2C13H13 AB2C13D13 -63.0 1.4 -9.72 -0.51 0
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410748 135083549 1 NO2C11H21 AB2C11D21 -127.17 2.07 -8.9 0.69 0
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410749 135083550 2 OH6C7 AB6C7 -24.17 1.53 -9.13 -0.9 0
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410750 135083551 1 FNO2C12H14 ABC2D12E14 -106.53 1.24 -10.03 -1.18 0
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410751 135083552 1 O4C7H10 A4B7C10 -174.59 4.64 -11.69 -0.74 0
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410752 135083553 1 PO5C7H11 AB5C7D11 -255.82 5.38 -10.3 -0.32 0
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410753 135083554 1 O4C13H16 A4B13C16 -140.09 2.09 -8.86 -0.26 0
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410754 135083555 1 OH10C11 AB10C11 26.84 3.05 -10.01 -0.58 0
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410755 135083556 2 OC7H14 AB7C14 -150.28 4.25 -10.11 0.42 0
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410756 135083557 1 OSiC12H18 ABC12D18 -43.43 1.91 -8.69 0.45 0
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410757 135083558 1 NO3C13H21 AB3C13D21 -145.51 8.32 -10.34 0.0 0
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410759 135083560 1 SN3C10H21 AB3C10D21 0.64 5.86 -8.06 -0.06 0
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410760 135083561 1 OSN3C12H13 ABC3D12E13 9.84 3.13 -8.86 -0.88 0
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410761 135083562 1 O2C11H20 A2B11C20 -56.68 3.36 -10.32 1.24 0
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410762 135083563 1 C11H16 A11B16 20.19 1.1 -9.27 0.7 0
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410763 135083564 1 NSO2C10H11 ABC2D10E11 -17.38 3.33 -10.11 -0.5 0
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410764 135083565 1 OSiC13H24 ABC13D24 -74.21 1.72 -9.03 0.14 0