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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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23517 604341 1 N2O3H18C19 A2B3C18D19 -68.84 7.44 -8.86 -0.59 0
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23518 604342 1 ClOC5N5H6 ABC5D5E6 -8.13 4.68 -9.05 -0.86 0
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23519 604346 1 OSiC13H30 ABC13D30 -144.2 1.65 -8.68 1.24 0
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23520 604347 1 SiO2C13H28 AB2C13D28 -202.72 2.61 -8.89 1.23 0
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23521 604348 1 BrO2C14H19 AB2C14D19 -88.86 1.69 -8.64 -0.34 0
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23522 604349 1 NO2H9C11 AB2C9D11 -29.37 4.03 -8.99 -0.58 0
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23523 604351 1 CrC14H21 AB14C21 193.27 0.29 0.0 0.0 -9
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23524 604352 1 CrC20H31 AB20C31 170.68 0.82 0.0 0.0 -11
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23525 604353 2 C5H8 A5B8 37.69 1.41 -9.13 0.47 -6
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23526 604354 1 CrC18H27 AB18C27 152.86 1.73 0.0 0.0 -11
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23527 604355 1 CrC20H23 AB20C23 215.61 0.07 0.0 0.0 -11
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23528 604356 1 CrC22H33 AB22C33 258.81 1.04 0.0 0.0 -9
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23529 604358 1 ClN2O2H7C10 AB2C2D7E10 -16.02 2.06 -9.21 -1.32 0
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23530 604360 2 NOC10H13 ABC10D13 -87.66 3.69 -9.42 -0.04 0
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23531 604361 1 MnNO3H10C12 ABC3D10E12 58.21 2.78 -7.26 -0.43 -5
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23532 604362 1 NC9H10 AB9C10 67.14 3.59 0.0 0.0 -5
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23533 604373 1 OSiF2C10H14 ABC2D10E14 -180.05 2.7 -9.6 -0.22 0
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23534 604381 1 SiC13H18 AB13C18 18.87 0.47 -9.32 0.44 0
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23535 604386 1 OSiC14H32 ABC14D32 -155.3 1.76 -9.13 1.48 0
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23536 604389 1 SiO2C12H26 AB2C12D26 -180.01 3.01 -8.94 0.65 0
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23537 604394 2 ON2H5C6 AB2C5D6 8.59 5.78 -10.69 -1.26 0
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23538 604395 1 ISO3C8H11 ABC3D8E11 -112.81 3.08 -9.98 -1.31 0
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23539 604399 1 PCl2N4O4C13H15 AB2C4D4E13F15 -144.43 6.67 -9.73 -1.03 0
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23540 604400 1 O4C15H28 A4B15C28 -220.47 2.27 -9.72 1.63 0
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23541 604401 2 ClOC8H9 ABC8D9 -100.66 5.0 -8.87 -0.51 0
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23542 604404 1 FON3C19H20 ABC3D19E20 -11.14 2.9 -8.84 -0.64 0
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23543 604486 1 NOC12H13 ABC12D13 -24.68 4.44 -8.74 -0.09 0
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23544 604488 1 O2N5C15H21 A2B5C15D21 -27.96 3.34 -8.46 0.03 0
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23545 604493 1 NO4H11C12 AB4C11D12 -145.95 6.98 -10.34 -1.64 0
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23546 604512 2 O2C7H7 A2B7C7 -145.74 6.5 -9.08 -0.99 0
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23547 604526 1 BrC9H15 AB9C15 11.9 2.11 -10.23 -0.01 0
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23548 604564 1 OC14H18 AB14C18 -57.78 4.38 -9.07 -0.19 0
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23549 604580 2 O2C8H11 A2B8C11 -179.59 3.63 -9.18 -0.17 0
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23550 604613 1 O2N5C15H15 A2B5C15D15 -30.77 9.23 -9.18 -1.27 0
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23551 604614 2 O3C17H26 A3B17C26 -336.48 4.8 -9.28 0.86 0
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23552 604671 1 NSi2O4C28H51 AB2C4D28E51 -293.02 4.02 -9.45 0.5 0
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23553 604672 1 PO3C8H13 AB3C8D13 -125.4 3.42 -9.72 -0.07 0
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23554 604673 1 ON2C11H12 AB2C11D12 7.96 4.75 -8.65 -0.27 0
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23555 604675 1 ON2C11H12 AB2C11D12 -13.46 2.09 -8.97 -0.82 0
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23556 604676 1 N2O3C20H26 A2B3C20D26 -66.31 6.12 -8.67 -0.89 0
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23557 604677 1 FN2H9C11 AB2C9D11 11.78 2.41 -9.59 -1.05 0
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23558 604678 2 NOH4C5 ABC4D5 -20.3 4.52 -9.63 -0.95 0
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23559 604679 1 OS2C8H12 AB2C8D12 -61.11 1.88 -8.93 0.1 0
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23560 604681 1 NPSiO6C23H34 ABCD6E23F34 -335.88 2.5 -9.09 -0.15 0
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23561 604683 1 N2O2H14C15 A2B2C14D15 0.89 1.11 -9.02 -0.3 0
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23562 604684 2 C7H10 A7B10 13.63 0.22 -9.88 2.67 0
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23563 604685 1 ON2C11H12 AB2C11D12 0.65 3.76 -9.3 0.05 0
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23564 604687 2 BrOC6H6 ABC6D6 -56.92 0.78 -9.77 -1.41 0
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23565 604688 2 NO2H10C11 AB2C10D11 -24.47 1.67 -9.84 -0.81 0
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23566 604693 1 OSN3H15C18 ABC3D15E18 60.45 3.4 -8.3 -0.55 0