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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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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