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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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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
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52617 12015556 1 O3C16H24 A3B16C24 -110.84 1.71 -9.51 1.2 0
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52618 12015557 1 O3C18H28 A3B18C28 -120.36 2.62 -9.61 1.02 0
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52619 12015558 1 O3C16H24 A3B16C24 -86.23 2.44 -9.73 0.64 0
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52620 12015559 1 O3C20H32 A3B20C32 -102.37 2.03 -9.7 1.03 0
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52621 12015560 1 NOC12H21 ABC12D21 -75.42 3.2 -9.57 2.96 0
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52622 12015561 1 O17C35H62 A17B35C62 -698.24 5.43 -8.72 -0.64 0
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52623 12015562 1 NO3H9C14 AB3C9D14 6.83 4.37 -9.15 -1.7 0
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52624 12015564 1 ZnCl2N4O8C56H116 AB2C4D8E56F116 -160.36 0.84 -8.31 -5.53 0
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52627 12015574 1 SeN2O3C18H22 AB2C3D18E22 -78.84 2.6 -8.21 -0.42 0
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52628 12015575 1 SeN2O3C19H24 AB2C3D19E24 -74.74 3.11 -8.59 -0.3 0
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52629 12015576 1 SeN2O3C19H24 AB2C3D19E24 -78.1 1.63 -8.23 -0.37 0
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52630 12015577 1 NOSeC16H21 ABCD16E21 -2.67 4.04 -8.24 0.15 0
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52631 12015578 1 NOSeC18H25 ABCD18E25 6.31 3.29 -8.08 0.12 0
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52632 12015580 1 NOSeC18H25 ABCD18E25 3.46 3.44 -8.06 0.12 0
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52633 12015581 1 NOSeC18H25 ABCD18E25 -11.07 4.02 -7.97 0.24 0
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52634 12015582 1 NOSeC12H15 ABCD12E15 13.21 4.07 -8.42 -0.21 0
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52635 12015583 1 NOSeC12H15 ABCD12E15 18.81 3.56 -8.64 -0.38 0
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52636 12015584 1 NOC8H15 ABC8D15 -14.95 1.4 -9.63 0.99 0
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52637 12015588 1 S3F5C11H11 A3B5C11D11 -237.6 4.63 -8.88 -1.71 0
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52638 12015589 1 O2Cl3H13C18 A2B3C13D18 -50.65 2.61 -9.36 -0.83 0
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52639 12015592 1 NO4H17C23 AB4C17D23 -13.01 4.69 -9.43 -1.9 0
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52640 12015594 1 N3O5C20H21 A3B5C20D21 -128.86 6.15 -9.52 -0.42 0
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52641 12015598 1 OSC12H12 ABC12D12 -4.05 2.98 -8.26 -0.36 0
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52642 12015601 1 SC7H12 AB7C12 28.07 1.97 -8.24 0.5 0
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52643 12015602 1 SCo2O6C15H20 AB2C6D15E20 -267.24 29.67 -9.49 -5.44 0