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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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51726 12014454 1 NSO3C12H15 ABC3D12E15 -108.46 4.28 -9.56 -0.34 0
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51727 12014455 1 NSO4C36H55 ABC4D36E55 -217.23 4.25 -9.36 -0.32 0
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51729 12014457 2 N3O5H9C10 A3B5C9D10 -18.9 18.37 -10.08 -2.63 0
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51731 12014459 2 NOI2H9C10 ABC2D9E10 55.8 8.9 -8.94 -1.55 0
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51733 12014461 2 NOBr2H9C10 ABC2D9E10 -0.77 10.57 -8.95 -1.53 0
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51734 12014462 1 NC14H19 AB14C19 27.41 1.46 -8.97 0.41 0
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51735 12014463 1 OC13H20 AB13C20 -55.42 1.83 -9.35 0.3 0
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51739 12014468 2 N2H4C9 A2B4C9 208.11 8.69 -9.96 -2.26 0
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51740 12014469 2 BrN2H3C9 AB2C3D9 224.37 3.63 -9.85 -2.74 0
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51741 12014470 6 OH4C5 AB4C5 -102.43 3.82 -9.44 -0.84 0
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51742 12014471 3 BrOH7C10 ABC7D10 -5.86 2.23 -9.98 -1.3 0
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51743 12014472 3 BrOH9C10 ABC9D10 -30.71 2.51 -8.91 -0.57 0
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51744 12014473 2 OBr2H15C19 AB2C15D19 58.81 6.26 -8.33 -0.9 0
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51745 12014474 2 BrO2H21C29 AB2C21D29 56.01 3.79 -8.21 -0.72 0
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51746 12014475 1 NOC22H31 ABC22D31 -40.05 1.64 -9.28 0.0 0
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51747 12014476 1 NOC22H31 ABC22D31 -38.21 1.32 -9.22 -0.03 0
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51748 12014477 1 NOC23H33 ABC23D33 -44.61 1.6 -9.29 0.01 0
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51749 12014479 1 OC9H14 AB9C14 -29.45 2.23 -9.22 0.46 0
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51750 12014480 1 SO2N3C15H19 AB2C3D15E19 -48.46 4.65 -8.91 -0.74 0
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51751 12014481 1 SO2N3C16H21 AB2C3D16E21 -51.04 9.85 -8.48 -0.86 0
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51752 12014482 1 SO2N3C16H21 AB2C3D16E21 -56.65 4.65 -8.86 -0.71 0
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51753 12014484 1 ClSO2N3H18C19 ABC2D3E18F19 -18.54 9.7 -8.73 -0.99 0
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51754 12014485 1 SN3O3C20H21 AB3C3D20E21 -48.68 10.49 -8.44 -0.88 0
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51755 12014486 1 SN3O3C20H21 AB3C3D20E21 -47.89 6.46 -8.64 -0.93 0
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51756 12014487 1 SN3O3C20H21 AB3C3D20E21 -46.34 8.69 -8.68 -0.77 0
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51757 12014488 1 SO2N3C20H21 AB2C3D20E21 -13.77 7.14 -8.46 -0.27 0
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51758 12014489 1 SO2N3C20H21 AB2C3D20E21 -18.44 7.3 -8.73 -0.59 0
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51759 12014490 1 O4N5C22H23 A4B5C22D23 -31.56 6.01 -8.12 -0.6 0
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51760 12014491 3 OC4H6 AB4C6 -139.23 2.86 -9.21 0.01 0
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51761 12014492 1 BrO3C12H17 AB3C12D17 -131.58 3.05 -9.4 -0.95 0
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51762 12014493 1 O3C12H16 A3B12C16 -119.69 4.21 -8.69 0.01 0
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51763 12014496 1 ClO3C13H19 AB3C13D19 -154.39 1.61 -9.26 -0.17 0
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51764 12014497 1 H34C43 A34B43 187.43 0.27 -9.05 0.02 0
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51765 12014500 2 O3H17C19 A3B17C19 34.74 0.64 -8.87 -0.18 0
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51766 12014501 2 O3C13H15 A3B13C15 -213.7 1.92 -9.09 -0.23 0
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51767 12014502 2 OBr2C13H13 AB2C13D13 -39.42 1.78 -9.17 -0.81 0
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51768 12014503 1 NC14H23 AB14C23 11.84 2.04 -9.46 0.92 0
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51769 12014506 1 OSC13H20 ABC13D20 -78.97 1.08 -8.79 0.36 0
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51770 12014507 1 OSC18H22 ABC18D22 -48.93 1.24 -8.76 0.03 0
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51771 12014508 1 OSC18H22 ABC18D22 -45.91 1.05 -8.78 0.15 0
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51772 12014509 2 OC9H11 AB9C11 -87.14 0.59 -9.39 0.2 0
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51773 12014510 4 SO2C11H14 AB2C11D14 -211.44 9.1 -7.98 -0.5 0
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51774 12014511 1 PO6C31H31 AB6C31D31 -192.62 13.08 -8.12 -0.98 0
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51775 12014513 1 PO6C32H33 AB6C32D33 -202.51 13.14 -8.2 -0.98 0
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51776 12014515 1 PO5H33C36 AB5C33D36 -116.43 14.22 -8.22 -1.01 1
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51777 12014516 1 PO5H34C36 AB5C34D36 -114.19 2.14 0.0 0.0 0
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51778 12014517 1 NO3H17C22 AB3C17D22 2.38 2.53 -9.02 -0.93 0
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51779 12014518 1 NO3H19C27 AB3C19D27 40.33 2.58 -8.98 -0.9 0
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51780 12014519 1 NO4H17C22 AB4C17D22 -36.75 2.03 -9.03 -0.91 0
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51781 12014520 1 NO4H19C23 AB4C19D23 -45.36 2.58 -9.02 -0.93 0