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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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52514 12015398 1 SO4N5C19H21 AB4C5D19E21 -89.26 6.55 -8.41 -1.03 0
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52515 12015400 1 OC11H16 AB11C16 -47.87 2.33 -9.23 0.54 0
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52516 12015401 1 OC12H18 AB12C18 -57.9 1.99 -9.01 0.45 0
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52517 12015402 1 FOC11H15 ABC11D15 -96.26 3.78 -9.36 0.11 0
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52518 12015405 1 OSC9H14 ABC9D14 -43.26 2.81 -8.88 0.12 0
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52519 12015406 3 O2H12C13 A2B12C13 -127.04 7.66 -9.89 -0.9 0
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52520 12015410 6 C9H10 A9B10 140.71 1.48 -8.85 0.47 0
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52521 12015415 1 NSO4C18H21 ABC4D18E21 -127.84 6.36 -9.69 -0.46 0
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52522 12015417 1 NSSiO4C25H35 ABCD4E25F35 -192.63 5.01 -8.93 -0.54 0
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52523 12015418 1 SN2O3C25H32 AB2C3D25E32 -79.57 3.93 -8.71 -0.52 0
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52524 12015420 1 SN2O3C28H30 AB2C3D28E30 -34.81 6.05 -9.11 -0.44 0
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52525 12015421 1 NSSiO4C27H39 ABCD4E27F39 -183.72 2.33 -8.81 -0.53 0
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52526 12015422 1 NSiO2C19H31 ABC2D19E31 -150.19 4.05 -8.74 0.18 0
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52527 12015423 1 ON2C19H28 AB2C19D28 -31.39 3.82 -8.78 0.08 0
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52528 12015424 1 NSiO2C21H35 ABC2D21E35 -137.2 4.16 -8.7 0.16 0
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52529 12015425 1 NSSiO4C24H35 ABCD4E24F35 -198.71 5.0 -8.86 -0.42 0
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52530 12015426 1 NO2C18H21 AB2C18D21 -25.17 5.32 -8.13 0.03 0
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52531 12015427 4 NOH8C12 ABC8D12 149.82 7.56 -8.42 -0.82 0
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52532 12015429 2 NOH15C25 ABC15D25 395.73 5.09 -8.59 -0.9 0
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52533 12015430 4 H5C9 A5B9 199.45 0.02 -9.05 -0.18 0
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52534 12015432 1 N2O2H40C57 A2B2C40D57 165.04 3.4 -8.52 -0.62 0
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52535 12015433 1 N2H38C57 A2B38C57 291.34 4.3 -7.71 -1.74 0
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52536 12015434 1 SO2N5H11C16 AB2C5D11E16 144.81 3.78 -9.62 -2.07 0
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52537 12015439 1 BrS2N4O4H19C20 AB2C4D4E19F20 -79.12 2.36 -9.16 -1.67 0
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52538 12015441 2 SN2O2C7H7 AB2C2D7E7 -105.67 3.89 -9.12 -1.8 0
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52539 12015446 1 ClPF2H10C14 ABC2D10E14 -40.7 2.35 -9.25 -0.12 0
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52540 12015448 1 ClPF2C8H14 ABC2D8E14 -126.09 2.48 -9.0 0.1 0
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52543 12015454 2 NOC12H14 ABC12D14 -25.19 1.12 -9.34 -0.31 0
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52544 12015455 1 CuSN2F3O5C25H28 ABC2D3E5F25G28 -247.78 7.25 -9.3 -1.2 0
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52545 12015456 1 CuSN2F3O5C27H32 ABC2D3E5F27G32 -257.54 6.11 -9.15 -1.16 0
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52546 12015457 1 CuSN2F3O5H24C31 ABC2D3E5F24G31 -164.5 2.13 -9.38 -1.29 0
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52547 12015458 1 CuSN2F3O5H28C33 ABC2D3E5F28G33 -177.37 7.94 -9.28 -1.29 0
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52548 12015460 1 O36C49H74 A36B49C74 -1558.69 2.67 -10.13 -0.84 0
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52549 12015461 1 O38C51H76 A38B51C76 -1646.45 7.19 -10.03 -1.52 0
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52550 12015463 1 O38C51H76 A38B51C76 -1562.27 12.23 -8.33 -1.7 0
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52551 12015464 1 O41C55H84 A41B55C84 -1775.99 2.76 -10.36 -1.05 0
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52552 12015465 1 N2O2H8C9 A2B2C8D9 15.69 3.59 -9.79 -1.29 0
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52553 12015466 1 O6C11H14 A6B11C14 -216.0 3.92 -9.61 -1.13 0
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52554 12015467 2 N2O2H7C10 A2B2C7D10 73.47 5.25 -9.3 -1.79 0
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52555 12015468 2 O6C12H13 A6B12C13 -388.37 3.31 -8.79 -1.44 0
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52556 12015469 2 N2O2H6C9 A2B2C6D9 71.73 0.17 -8.88 -2.5 0
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52557 12015470 2 N2O2H9C12 A2B2C9D12 82.69 3.46 -8.78 -2.01 0
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52558 12015474 4 O2C9H9 A2B9C9 -292.81 2.72 -9.38 -0.1 0
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52559 12015477 4 O2C7H9 A2B7C9 -256.77 6.56 -9.15 -1.45 0
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52560 12015478 4 O2C7H9 A2B7C9 -297.68 2.6 -9.2 -0.99 0
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52561 12015479 4 O2C6H7 A2B6C7 -267.46 1.49 -10.38 -0.13 0
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52562 12015480 1 KO4C9H11 AB4C9D11 -207.27 15.04 -8.13 -0.27 0
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52563 12015481 1 O4C9H12 A4B9C12 -161.63 5.52 -9.73 -0.37 0
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52564 12015482 1 KO4C15H15 AB4C15D15 -185.16 15.19 -8.22 -0.3 0
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52565 12015484 1 KO4C11H15 AB4C11D15 -225.48 14.15 -7.94 -0.22 0
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52566 12015485 1 O4C11H16 A4B11C16 -179.26 4.47 -9.56 -0.21 0
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52567 12015487 1 BrNOC22H32 ABCD22E32 -47.75 2.74 -8.6 -0.03 0
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52568 12015488 1 BrNOC21H30 ABCD21E30 -39.94 2.68 -8.74 -0.01 0
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52569 12015490 1 BrNO2C28H36 ABC2D28E36 -52.73 2.05 -8.49 0.06 0
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52570 12015491 1 BrNOC32H36 ABCD32E36 16.37 2.3 -8.44 0.05 0
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52571 12015493 1 BrNOC27H34 ABCD27E34 -14.39 1.43 -8.82 -0.24 0
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52572 12015494 1 NO2C21H33 AB2C21D33 -90.23 3.24 -8.94 0.43 0
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52573 12015496 1 NO2C20H31 AB2C20D31 -87.03 1.37 -8.69 0.33 0
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52574 12015498 1 NO2C28H37 AB2C28D37 -47.58 3.2 -8.83 0.13 0
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52575 12015499 1 NOC21H29 ABC21D29 -26.28 3.24 -8.57 0.47 0
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52576 12015500 1 NOC32H37 ABC32D37 5.45 1.76 -8.7 0.24 0
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52577 12015501 1 NOC32H37 ABC32D37 14.75 1.83 -8.32 0.06 0
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52578 12015502 1 NOC32H37 ABC32D37 32.39 3.16 -8.99 0.21 0
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52579 12015504 1 NOC21H31 ABC21D31 -42.92 1.58 -8.3 0.62 0
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52580 12015505 1 NOC21H31 ABC21D31 -49.01 3.59 -8.83 0.45 0
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52581 12015506 1 NO2C27H35 AB2C27D35 -52.21 2.17 -8.37 0.43 0
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52582 12015507 1 NOC27H35 ABC27D35 -18.67 1.22 -8.33 0.42 0
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52583 12015508 1 NOC26H33 ABC26D33 -13.15 1.33 -8.45 0.34 0
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52584 12015510 1 NSO2H21C23 ABC2D21E23 8.97 5.16 -9.14 -0.35 0
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52585 12015513 1 NOC20H29 ABC20D29 -29.58 2.2 -8.72 0.3 0
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52586 12015514 1 NOC21H31 ABC21D31 -41.48 1.97 -8.54 0.35 0
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52587 12015516 1 NOC27H35 ABC27D35 -30.32 2.14 -8.68 0.47 0
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52588 12015517 1 N4O8H12C13 A4B8C12D13 -53.66 6.65 -9.25 -1.91 0
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52589 12015519 1 ClN4O6H7C10 AB4C6D7E10 23.1 5.22 -9.32 -2.04 0
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52590 12015520 1 N4O7H10C11 A4B7C10D11 -21.8 3.72 -9.24 -1.98 0
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52591 12015522 1 N2Cl3O4H31C35 A2B3C4D31E35 -111.17 1.83 -9.5 -2.48 0
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52592 12015527 2 NO2H20C24 AB2C20D24 12.67 0.24 -8.88 -2.51 0
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52593 12015528 2 NO2H19C22 AB2C19D22 -47.89 1.44 -8.92 -2.53 0
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52594 12015529 1 N3O4H39C41 A3B4C39D41 -79.85 1.56 -8.57 -2.34 0
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52596 12015531 1 OC18H20 AB18C20 -5.33 3.03 -9.23 0.07 0
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52597 12015532 1 ON2C14H22 AB2C14D22 -20.47 3.89 -9.04 1.26 0
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52598 12015533 1 ON2C14H22 AB2C14D22 -21.61 3.98 -8.88 0.88 0
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52599 12015534 2 NOC7H12 ABC7D12 -119.05 2.3 -9.02 0.47 0
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52600 12015535 2 NOC7H12 ABC7D12 -115.73 1.87 -9.05 0.29 0
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52601 12015538 1 PSO3C31H37 ABC3D31E37 -176.51 7.03 -8.84 -0.18 0
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52602 12015539 1 PSeO3C31H37 ABC3D31E37 -117.18 7.16 -8.39 -0.14 0
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52603 12015540 1 PH25C29 AB25C29 100.99 1.7 -8.65 0.12 0
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52604 12015542 1 PC29H31 AB29C31 53.38 1.52 -8.67 0.14 0
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52605 12015543 1 BPC29H34 ABC29D34 85.4 2.43 -8.56 -0.03 -1
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52606 12015544 1 OPRhC30H32 ABCD30E32 22.6 12.31 -9.23 -3.78 0
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52607 12015545 1 OH16C17 AB16C17 11.41 1.86 -8.87 -0.01 0
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52608 12015546 1 OH16C17 AB16C17 13.0 2.22 -9.01 -0.17 0
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52609 12015547 1 OC9H14 AB9C14 -30.81 2.07 -9.77 1.0 0
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52610 12015548 1 O2C17H24 A2B17C24 -62.94 1.83 -9.52 1.1 0
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52611 12015549 1 O2C15H20 A2B15C20 -33.89 2.12 -9.66 0.7 0
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52612 12015550 1 O2C19H28 A2B19C28 -56.24 1.75 -9.61 1.12 0
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52613 12015551 1 BrO3C18H27 AB3C18D27 68.91 4.17 -6.93 -0.11 0
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52614 12015552 1 BrO3C16H23 AB3C16D23 -71.78 4.73 -9.31 0.21 0
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52615 12015553 1 BrO3C20H31 AB3C20D31 -73.38 3.86 -9.56 -0.48 0
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52616 12015555 2 O2C7H11 A2B7C11 -159.86 3.0 -9.8 1.04 0