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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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411629 135084461 1 INOH12C13 ABCD12E13 27.28 4.13 -8.3 -0.68 0
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411630 135084462 1 ClNSO2F3H7C8 ABCD2E3F7G8 -213.28 2.73 -9.82 -1.2 0
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411631 135084463 1 N2O2C13H16 A2B2C13D16 -37.38 3.5 -8.99 -0.31 0
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411632 135084464 1 BrSiO2C13H27 ABC2D13E27 -173.18 1.53 -8.87 -0.58 0
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411633 135084465 1 OC14H16 AB14C16 -30.74 1.07 -8.5 -0.36 0
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411634 135084466 1 Br3H5C8 A3B5C8 44.91 1.94 -9.78 -1.2 0
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411635 135084467 1 O5C11H18 A5B11C18 -175.14 2.58 -10.2 1.4 0
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411636 135084468 2 OC5H9 AB5C9 -110.55 4.99 -9.78 0.59 0
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411637 135084469 1 O3C14H20 A3B14C20 -83.42 2.28 -9.45 -0.27 0
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411638 135084470 1 ON3C12H17 AB3C12D17 3.5 3.4 -8.27 -0.02 0
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411639 135084471 1 ON2C13H14 AB2C13D14 33.9 6.22 -8.65 -0.38 0
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411640 135084472 1 OC14H20 AB14C20 -39.28 2.11 -9.54 0.23 0
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411641 135084473 1 NH7C11 AB7C11 123.78 4.41 -9.64 -0.87 0
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411642 135084474 1 ON2C12H14 AB2C12D14 -8.75 7.19 -8.6 -0.25 0
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411643 135084475 1 NOSiC13H27 ABCD13E27 -98.32 2.78 -8.01 0.59 0
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411644 135084476 1 NO2H11C12 AB2C11D12 -4.69 3.47 -9.68 -0.83 0
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411645 135084477 1 NOBr2C13H17 ABC2D13E17 -16.3 5.48 -8.92 -0.38 0
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411646 135084478 1 NSO2H11C12 ABC2D11E12 48.9 5.65 -9.89 -0.55 0
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411647 135084479 1 ClNSO3C8H10 ABCD3E8F10 -74.72 5.54 -9.62 -0.71 0
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411648 135084480 1 BBrZnO2C9H18 ABCD2E9F18 -178.7 5.96 -9.35 -0.47 0
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411649 135084481 1 ClN3H8C12 AB3C8D12 86.08 3.47 -8.66 -1.1 0
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411650 135084482 1 OPC14H25 ABC14D25 -83.7 4.21 -9.55 1.0 0
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411651 135084483 1 BrNOF2H8C12 ABCD2E8F12 -84.74 1.68 -10.03 -0.84 0
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411652 135084484 1 IO2C13H17 AB2C13D17 -71.19 3.48 -9.77 -0.78 0
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411653 135084485 2 NOC6H7 ABC6D7 -41.47 1.37 -8.23 -0.01 0
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411654 135084488 1 O2C13H14 A2B13C14 -52.5 1.45 -8.93 -0.12 0
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411655 135084489 1 OSiC14H30 ABC14D30 -113.7 3.23 -8.97 0.45 0
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411656 135084490 1 ON3C12H13 AB3C12D13 51.28 4.15 -8.96 -0.3 0
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411657 135084491 1 ON2C11H14 AB2C11D14 -22.92 4.72 -9.55 0.13 0
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411658 135084492 1 ON3C13H13 AB3C13D13 91.74 5.97 -9.64 -1.16 0
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411659 135084493 1 O2C13H14 A2B13C14 20.37 2.53 -9.56 0.12 0
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411660 135084494 1 ClO2H9C12 AB2C9D12 6.63 1.24 -9.26 -0.47 0
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411661 135084495 1 NO2C14H17 AB2C14D17 -14.88 4.09 -9.61 0.04 0
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411662 135084496 1 NOC9H13 ABC9D13 -16.87 2.73 -10.21 0.36 0
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411663 135084497 1 C17H20 A17B20 54.2 0.71 -8.7 0.07 0
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411664 135084498 1 NC10H19 AB10C19 6.41 1.87 -9.76 0.85 0
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411665 135084499 1 O3C12H16 A3B12C16 -86.69 3.43 -10.1 0.26 0
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411666 135084500 1 SiO3C12H22 AB3C12D22 -138.36 1.85 -9.22 0.44 0
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411667 135084501 1 O2C7H14 A2B7C14 -96.08 1.67 -9.13 1.01 0
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411668 135084502 1 ISH9C10 ABC9D10 72.89 3.28 -8.42 -0.81 0
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411669 135084503 1 TeS2H6C12 AB2C6D12 132.41 2.1 -8.08 -0.71 0
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411670 135084504 1 FO2C9H15 AB2C9D15 -145.3 2.91 -10.51 0.73 0
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411671 135084505 1 NPO5C9H18 ABC5D9E18 -288.75 1.7 -9.73 0.17 0
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411672 135084506 1 NO2C13H15 AB2C13D15 -55.13 3.4 -9.73 -0.39 0
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411673 135084507 1 SO4C11H16 AB4C11D16 -145.41 3.27 -9.17 -0.29 0
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411674 135084508 1 SO3C10H14 AB3C10D14 -54.92 2.79 -8.85 -0.08 0
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411675 135084509 1 O3C13H14 A3B13C14 -43.35 3.53 -9.55 -0.43 0
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411676 135084510 1 BrNO3H10C12 ABC3D10E12 -85.12 3.75 -9.25 -0.86 0
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411677 135084511 1 NO2C21H27 AB2C21D27 -64.16 2.88 -8.49 -0.52 1
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411678 135084512 1 PO3F12H16C36 AB3C12D16E36 -644.51 9.41 0.0 0.0 0