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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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1463 4519 1 O2C4N5H12 A2B4C5D12 30.51 4.76 0.0 0.0 -1
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1464 4527 2 N2O2C3H5 A2B2C3D5 -101.94 3.45 -11.15 -1.07 0
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1465 4533 1 N3O6C40H43 A3B6C40D43 -141.13 2.38 -8.47 -0.05 0
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1466 4537 2 OC10H13 AB10C13 -60.96 4.67 -9.15 0.76 0
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1467 4538 1 NO2C8H11 AB2C8D11 -70.49 2.8 -9.15 0.06 0
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1468 4539 1 FN3O3C16H18 AB3C3D16E18 -134.29 13.13 -8.98 -0.99 0
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1469 4546 1 N2O11C31H36 A2B11C31D36 -420.5 6.91 -8.8 -0.67 0
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1470 4554 1 BrCl3C10H14 AB3C10D14 -38.18 2.66 -9.32 -0.53 0
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1471 4556 1 NO2C19H23 AB2C19D23 -61.54 3.67 -8.79 -0.49 0
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1472 4557 1 O2C17H24 A2B17C24 5.64 2.48 -9.64 -0.54 0
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1473 4561 2 OC18H27 AB18C27 -97.39 3.24 -8.46 0.04 0
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1474 4562 1 O2C31H46 A2B31C46 -96.39 1.81 -8.54 0.0 0
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1475 4564 1 ON5C12H17 AB5C12D17 8.58 6.21 -8.73 -0.44 0
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1476 4566 1 SO3N6C18H22 AB3C6D18E22 -40.36 11.92 -8.89 -0.85 0
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1477 4567 1 NO2C19H25 AB2C19D25 -66.72 2.39 -9.04 0.11 0
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1478 4572 1 P2N3C9O11H13 A2B3C9D11E13 -436.33 5.33 -9.85 -1.61 0
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1479 4573 1 NO3C10H13 AB3C10D13 -105.08 4.12 -9.66 0.06 0
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1480 4575 1 NO4C21H21 AB4C21D21 -116.72 5.44 -8.69 -0.93 0
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1481 4577 1 N2P2C8O9H12 A2B2C8D9E12 -428.35 3.6 -9.14 -1.36 0
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1482 4579 1 O3C28H44 A3B28C44 -166.36 4.63 -9.99 -0.93 0
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1483 4580 1 ClNO6H18C20 ABC6D18E20 -236.31 8.12 -9.71 -1.67 0
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1484 4581 1 NO2C8H11 AB2C8D11 -69.86 2.71 -9.05 0.01 0
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1485 4582 1 S3N4O5C23H36 A3B4C5D23E36 -212.37 0.8 -8.29 -0.88 0
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1486 4583 1 FN3O4C18H20 AB3C4D18E20 -167.21 10.33 -8.76 -1.18 0
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1487 4584 1 O13C44H68 A13B44C68 -631.2 6.5 -9.46 0.28 0
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1488 4585 1 SN4C17H20 AB4C17D20 78.03 4.88 -7.78 -0.83 0
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1489 4587 1 NO12C35H61 AB12C35D61 -559.93 1.65 -9.1 0.38 0
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1490 4588 1 OF3C19H33 AB3C19D33 -239.89 2.9 -9.58 1.01 0
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1491 4589 1 NPO5C25H52 ABC5D25E52 -333.19 13.89 -9.05 -0.34 0
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1492 4590 1 NPO5C25H53 ABC5D25E53 -328.51 10.3 0.0 0.0 1
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1493 4592 1 ON6C15H18 AB6C15D18 39.79 1.97 -8.36 -0.05 0
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1494 4594 1 SN3O3C17H19 AB3C3D17E19 -37.55 2.86 -8.46 -0.44 0
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1495 4596 1 O4N6C23H30 A4B6C23D30 -96.03 1.44 -8.77 -0.75 0
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1496 4597 1 NO7C12H15 AB7C12D15 -203.4 5.97 -9.99 -1.39 0
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1497 4599 1 NO5C29H53 AB5C29D53 -303.22 7.5 -10.22 0.35 0
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1498 4600 1 O6C23H38 A6B23C38 -307.96 2.17 -9.72 0.55 0
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1499 4601 1 NOC18H23 ABC18D23 -2.92 2.03 -8.81 0.32 0
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1500 4603 2 NO2C8H14 AB2C8D14 -201.87 2.97 -9.43 -0.4 0
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1501 4605 1 O12C29H44 A12B29C44 -554.49 6.31 -9.96 -0.33 0
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1502 4606 1 NOSC8H18 ABCD8E18 -28.69 2.15 0.0 0.0 1
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1503 4607 1 SN3O5H18C19 AB3C5D18E19 -100.42 2.94 0.0 0.0 -1
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1504 4608 1 SN3O5C19H19 AB3C5D19E19 -118.32 3.97 -9.63 -0.75 0
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1505 4609 1 PtN2O4C8H14 AB2C4D8E14 -65.1 3.89 -10.1 -1.58 0
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1506 4610 2 NC3H7 AB3C7 -19.62 3.07 -9.14 3.12 0
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1507 4615 1 ON4C27H30 AB4C27D30 41.01 1.39 -8.72 -0.2 0
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1508 4616 1 ClN2O2H11C15 AB2C2D11E15 -19.4 4.37 -9.49 -1.14 0
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1509 4618 1 PS2O4C6H15 AB2C4D6E15 -234.43 4.82 -8.52 -0.37 0
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1510 4619 1 NO3C20H33 AB3C20D33 -138.39 2.25 -8.72 0.2 0
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1511 4621 1 N3O3C28H41 A3B3C28D41 -112.35 7.08 -8.93 0.1 0
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1512 4622 3 NOC4H5 ABC4D5 -87.93 0.93 -8.37 -0.34 0