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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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6403 68531 1 BrIC2H4 ABC2D4 4.61 0.46 -10.14 -1.49 0
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6404 68535 2 OC2H2 AB2C2 -37.54 6.62 -11.22 -0.22 0
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6405 68536 1 BrO2C3H5 AB2C3D5 -91.91 2.86 -10.71 -0.61 0
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6406 68538 1 ClIO2C20H24 ABC2D20E24 -72.84 2.66 -8.75 -1.36 0
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6407 68539 1 Cl2N2C19H24 A2B2C19D24 5.43 3.23 -8.18 0.12 0
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6409 68544 2 ClNOC12H18 ABCD12E18 -146.94 4.78 -8.79 -0.77 0
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6410 68547 1 SN2O3H8C13 AB2C3D8E13 49.72 3.65 -9.18 -1.58 0
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6411 68548 1 ClSN3O3H12C14 ABC3D3E12F14 -69.45 9.72 -9.55 -0.91 0
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6413 68555 1 NO4C17H25 AB4C17D25 -171.53 4.21 -8.9 -0.09 0
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6414 68558 1 O6H12C17 A6B12C17 -186.76 5.84 -9.82 -1.28 0
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6415 68559 1 SN6O8C31H44 AB6C8D31E44 -287.15 4.53 -8.61 -0.05 0
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6416 68564 1 ClNO6H20C27 ABC6D20E27 -160.39 2.96 -8.68 -1.19 0
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6417 68565 1 O5C12H14 A5B12C14 -136.03 1.5 -10.06 -1.71 0
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6418 68569 1 O2C21H30 A2B21C30 -111.46 2.06 -8.47 0.44 0
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6419 68570 2 OC9H12 AB9C12 -104.04 0.81 -8.74 0.26 0
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6420 68572 1 O3C21H26 A3B21C26 -79.31 3.36 -8.19 0.24 0
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6421 68573 1 NO2C21H27 AB2C21D27 -72.41 4.85 -8.57 0.31 0
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6422 68582 1 SO4C23H30 AB4C23D30 -134.76 3.15 -8.72 -0.18 0
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6423 68586 2 OC11H14 AB11C14 -52.25 3.22 -8.62 0.29 0
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6424 68589 1 Cl3N3O4H16C18 A3B3C4D16E18 -37.31 10.88 -9.59 -1.16 0
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6425 68590 1 SO2N4C14H18 AB2C4D14E18 -30.71 2.5 -8.04 -0.07 0
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6426 68592 1 ClN3O3C6H10 AB3C3D6E10 -62.38 5.47 -10.54 -1.52 0
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6427 68593 1 O3C18H34 A3B18C34 -160.86 3.05 -10.5 0.23 0
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6428 68596 1 O17C47H80 A17B47C80 -870.75 6.1 -9.25 0.95 0
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6429 68598 1 S2N6O10H27C28 A2B6C10D27E28 -273.15 9.34 0.0 0.0 1
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6430 68601 1 ClN2C13H17 AB2C13D17 -6.17 6.21 -9.05 0.04 0
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6431 68603 2 ClNOC11H17 ABCD11E17 -137.32 4.53 -8.67 -0.23 0
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6432 68604 1 FSO2N3C21H24 ABC2D3E21F24 -86.73 2.05 -8.57 -0.79 0
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6433 68608 1 O2N3C22H35 A2B3C22D35 -101.31 3.89 -8.48 0.46 0
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6434 68609 1 O10C27H34 A10B27C34 -415.0 4.11 -9.88 -0.94 0
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6435 68615 1 SO4N8C29H42 AB4C8D29E42 -136.55 6.6 -9.0 0.09 0
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6436 68617 1 NCl2C17H17 AB2C17D17 20.55 3.91 -9.08 -0.3 0
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6437 68618 1 IO2N3C15H18 AB2C3D15E18 -10.25 3.21 -8.66 -1.08 0
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6438 68619 1 BrNO3C18H22 ABC3D18E22 -26.99 4.18 -8.55 -0.62 0
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6440 68622 2 NO2C11H15 AB2C11D15 -139.71 3.89 -8.3 0.14 0
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6441 68623 1 NO3C18H21 AB3C18D21 -80.15 1.28 -8.34 0.13 0
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6443 68625 2 SN6O6C21H32 AB6C6D21E32 -551.07 5.47 -8.89 -0.95 0
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6444 68627 1 SiO2C22H36 AB2C22D36 -179.34 4.4 -9.75 0.06 0
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6445 68628 1 ClSN2C11H13 ABC2D11E13 22.34 3.2 -9.23 -0.38 0
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6446 68629 1 ClSN2C13H15 ABC2D13E15 4.38 5.6 -8.82 -0.57 0
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6447 68630 1 ClSN3O3H8C9 ABC3D3E8F9 16.24 2.68 -8.58 -1.89 0
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6448 68631 1 SN3O3H7C9 AB3C3D7E9 49.48 3.38 -8.68 -1.96 0
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6449 68635 1 ClNO4H14C20 ABC4D14E20 -63.78 3.57 -7.78 -1.41 0
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6450 68636 2 N2C7H8 A2B7C8 117.3 0.97 -8.21 0.12 0
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6451 68638 1 NO4C13H19 AB4C13D19 -182.02 4.11 -8.98 0.12 0
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6452 68639 1 BrNO3C21H26 ABC3D21E26 -89.68 14.16 -7.79 -0.51 0
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6453 68640 1 NO3C21H26 AB3C21D26 -58.82 3.06 0.0 0.0 1
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6455 68646 1 ClNOC12H20 ABCD12E20 -68.43 1.94 -9.21 0.27 0
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6456 68657 1 ClNO3C17H26 ABC3D17E26 -174.23 3.19 -9.7 -0.81 0
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6457 68662 1 NO4C6H11 AB4C6D11 -186.68 4.89 -10.44 0.52 0