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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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397589 135030429 1 F2N5C18H23 A2B5C18D23 -26.8 4.58 -9.06 -0.68 0
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397590 135030431 1 N3O3C22H31 A3B3C22D31 -151.35 5.2 -8.96 -0.18 0
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397591 135030432 1 SN3O5C28H37 AB3C5D28E37 -201.17 4.93 -8.51 -0.35 0
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397593 135030434 1 ON3C13H19 AB3C13D19 -28.07 6.14 -8.95 -0.16 0
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397594 135030436 1 SO4H12C20 AB4C12D20 -65.59 2.33 -9.62 -1.01 0
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397595 135030438 2 SH11C19 AB11C19 173.82 0.25 -8.37 -1.3 0
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397596 135030441 1 NBr2H27C34 AB2C27D34 104.46 1.6 -8.08 -1.28 0
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397597 135030444 1 NSiO2C18H29 ABC2D18E29 -119.41 3.14 -8.96 0.2 0
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397598 135030448 1 O4N5C36H45 A4B5C36D45 -112.83 4.02 -9.16 0.07 0
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397599 135030450 2 NOH8C11 ABC8D11 46.67 3.15 -9.31 -0.7 0
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397600 135030451 1 N3H13C17 A3B13C17 113.57 4.45 -8.63 -0.44 0
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397601 135030452 1 OSN2H20C29 ABC2D20E29 101.15 3.17 -8.75 -1.14 0
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397602 135030453 1 Br2H8C9 A2B8C9 38.75 2.35 -9.43 -1.08 0
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397603 135030454 1 S2N4O4C25H34 A2B4C4D25E34 -133.3 7.71 -9.26 -1.5 0
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397604 135030456 2 NO2C10H14 AB2C10D14 -199.61 2.47 -8.74 0.13 0
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397606 135030461 2 BrO2H11C17 AB2C11D17 -0.87 8.36 -9.51 -1.03 0
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397607 135030463 1 NO4C19H19 AB4C19D19 -102.25 1.73 -10.02 -1.47 0
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397608 135030464 1 BrO3C16H19 AB3C16D19 -113.16 1.99 -9.48 -0.06 0
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397609 135030465 1 OH18C20 AB18C20 32.45 1.75 -9.18 0.14 0
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397610 135030466 1 O4C27H32 A4B27C32 -133.54 1.82 -9.18 -0.59 0
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397611 135030468 1 KON2H9C13 ABC2D9E13 -7.42 10.04 -7.0 -0.6 0
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397612 135030469 1 NSO4H21C22 ABC4D21E22 -96.5 4.77 -9.23 -0.89 0
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397613 135030470 1 SSiN2F3O5C15H17 ABC2D3E5F15G17 -314.51 2.05 -9.17 -1.23 0
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397614 135030471 1 SN3O4H21C24 AB3C4D21E24 -47.99 9.94 -8.87 -0.9 -1
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397615 135030472 1 SeSiC5H13 ABC5D13 -17.32 2.11 0.0 0.0 0
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397616 135030473 2 NOC8H9 ABC8D9 -41.73 2.67 -9.81 -0.97 0
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397617 135030474 1 N2O2C17H20 A2B2C17D20 -51.53 3.4 -9.45 -0.89 0
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397618 135030476 1 BrNOSH14C16 ABCDE14F16 9.78 4.44 -9.31 -0.99 0
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397619 135030477 1 FNH24C33 ABC24D33 99.74 3.45 -8.3 -0.24 0
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397620 135030478 1 NH27C34 AB27C34 163.24 2.03 -8.04 0.06 0
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397621 135030479 1 ClNH26C34 ABC26D34 152.3 3.63 -8.15 -0.07 0
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397622 135030483 1 N3O3C18H23 A3B3C18D23 -120.98 3.51 -8.95 -0.61 0
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397623 135030484 1 SO3C15H22 AB3C15D22 -116.62 2.73 -8.35 -0.02 1
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397624 135030485 1 S2F3O5C16H22 A2B3C5D16E22 -370.52 4.81 0.0 0.0 -1
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397625 135030486 1 SC3H7 AB3C7 62.25 2.02 0.0 0.0 -1
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397626 135030487 1 C12H13 A12B13 42.24 0.79 0.0 0.0 0
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397627 135030488 1 NOH21C24 ABC21D24 56.0 2.64 -8.5 -0.61 0
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397629 135030490 1 BrNOH14C17 ABCD14E17 36.59 2.98 -8.77 -0.78 0
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397630 135030491 1 FNH12C15 ABC12D15 3.71 3.08 -8.92 -0.81 1
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397631 135030493 1 ON3C26H32 AB3C26D32 70.0 17.7 0.0 0.0 0
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397632 135030494 1 ON3C26H31 AB3C26D31 40.01 5.48 -8.64 -0.49 0
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397633 135030495 1 O2F3S3C13H17 A2B3C3D13E17 -259.32 7.81 -9.02 -0.84 0
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397634 135030496 1 SiO4C21H30 AB4C21D30 -188.89 0.3 -8.85 -0.16 0
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397635 135030497 1 Si2O4C27H44 A2B4C27D44 -255.48 1.26 -8.76 -0.1 0
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397636 135030498 1 SiO4C21H30 AB4C21D30 -186.79 0.17 -8.84 -0.1 0
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397637 135030499 1 BIO2C11H18 ABC2D11E18 -140.94 4.63 -9.07 -0.66 0
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397638 135030500 1 BO4C22H33 AB4C22D33 -204.93 4.01 -8.79 -0.27 0
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397639 135030501 1 BO4C22H35 AB4C22D35 -248.21 4.66 -8.58 -0.08 0
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397640 135030502 1 N2O3C16H16 A2B3C16D16 1.79 9.71 -8.95 -0.99 0
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397641 135030504 1 NSiO4C16H25 ABC4D16E25 -193.08 3.51 -9.57 -0.77 1