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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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399447 135040319 1 ON2C14H18 AB2C14D18 4.34 1.53 -8.24 -0.14 0
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399448 135040320 1 NSO2F3C7H12 ABC2D3E7F12 -228.03 3.37 -9.11 -0.77 0
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399449 135040321 1 N3O3C11H19 A3B3C11D19 -101.31 3.11 -9.88 0.05 0
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399450 135040323 1 NBr2O4C13H21 AB2C4D13E21 -220.26 2.74 -10.23 -0.69 0
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399451 135040337 1 BrON2H15C16 ABC2D15E16 21.69 2.05 -9.69 -0.88 0
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399452 135040346 2 N2O2C5H6 A2B2C5D6 -98.86 3.31 -10.13 -1.18 -1
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399453 135040349 1 NO2C5H10 AB2C5D10 -79.4 1.15 0.0 0.0 0
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399454 135040355 1 O2C17H22 A2B17C22 -70.98 4.3 -9.56 0.06 0
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399455 135040376 1 N2O2C9H14 A2B2C9D14 -58.07 4.24 -8.93 0.43 0
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399456 135040378 1 BrN5H6C10 AB5C6D10 145.76 0.68 -9.9 -1.37 0
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399457 135040380 1 O3C12H14 A3B12C14 -126.74 3.08 -9.07 -0.1 0
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399458 135040400 1 N2F3O4C11H13 A2B3C4D11E13 -307.09 4.4 -9.54 -0.93 0
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399459 135040403 1 ClO3C11H17 AB3C11D17 -153.11 2.66 -9.64 0.66 0
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399460 135040422 1 O3C13H18 A3B13C18 -131.03 2.57 -9.05 0.88 0
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399461 135040426 1 SiF3C11H13 AB3C11D13 -156.1 4.34 -9.79 -0.54 0
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399462 135040427 1 NO2C16H21 AB2C16D21 -91.83 3.16 -9.14 -0.17 0
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399463 135040428 1 O2N3C14H25 A2B3C14D25 -57.81 2.46 -9.91 -0.07 0
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399464 135040429 1 ON2C14H14 AB2C14D14 30.41 4.58 -8.34 -0.82 0
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399465 135040431 1 NC16H17 AB16C17 74.11 2.22 -8.14 -0.27 0
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399466 135040468 1 ON4H10C13 AB4C10D13 39.92 4.74 -9.09 -1.08 0
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399467 135040469 1 NC15H15 AB15C15 93.32 3.42 -8.13 -0.17 0
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399468 135040471 1 SO2F3N4C10H11 AB2C3D4E10F11 -138.78 4.53 -9.8 -1.23 0
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399469 135040473 1 LiBr3H6C12 AB3C6D12 62.49 6.24 -8.74 -0.58 0
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399470 135040474 1 NO4C9H15 AB4C9D15 -124.39 5.29 -11.08 -0.65 0
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399471 135040475 1 O2C13H22 A2B13C22 -112.08 1.47 -9.23 0.64 -1
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399472 135040476 1 BOC10H20 ABC10D20 -84.73 1.21 0.0 0.0 0
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399473 135040478 1 NO2F3C12H12 AB2C3D12E12 -237.45 7.45 -8.93 -0.79 0
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399474 135040479 1 FOC17H21 ABC17D21 -76.61 3.57 -9.74 -0.36 0
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399475 135040480 1 OC18H24 AB18C24 -38.95 4.07 -9.48 -0.12 0
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399476 135040481 1 NC17H19 AB17C19 68.94 3.23 -8.16 -0.06 0
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399478 135040483 1 NO2H13C14 AB2C13D14 -49.6 6.21 -8.52 -0.12 0
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399479 135040484 1 SO3C12H14 AB3C12D14 -73.76 2.09 -8.7 -0.72 0
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399480 135040485 1 NOC10H13 ABC10D13 -21.62 2.31 -8.88 0.15 0
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399481 135040488 5 OC3H4 AB3C4 -191.72 5.07 -9.19 -0.34 0
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399482 135040497 1 OC13H16 AB13C16 -17.78 3.62 -9.84 -0.33 0
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399483 135040500 1 SiO2C15H32 AB2C15D32 -169.91 0.94 -8.82 0.91 0
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399484 135040509 2 NOC6H8 ABC6D8 -71.99 4.52 -9.08 -0.38 0
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399486 135040528 1 SiO2C14H26 AB2C14D26 -112.06 3.53 -8.16 0.8 0
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399487 135040529 1 OC11H20 AB11C20 -60.52 2.03 -10.02 2.44 0
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399489 135040534 1 NC18H21 AB18C21 31.73 0.72 -8.8 0.33 0
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399490 135040537 1 OC14H18 AB14C18 -14.01 1.52 -8.54 0.35 0
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399491 135040539 2 OC8H14 AB8C14 -110.63 1.61 -10.05 0.98 0
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399492 135040542 1 NSC15H21 ABC15D21 52.48 1.66 -8.69 -0.1 0
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399493 135040545 11 CH2 AB2 -40.26 0.49 -9.33 1.54 0
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399494 135040553 1 ClOH15C17 ABC15D17 4.96 3.04 -9.37 -0.18 0
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399495 135040555 1 SN2O4H10C13 AB2C4D10E13 -56.44 6.64 -9.81 -1.78 0
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399496 135040576 1 NOC11H15 ABC11D15 -13.57 3.07 -9.16 0.29 0
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399497 135040577 1 NOC15H19 ABC15D19 5.91 1.62 -8.99 0.25 0
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399498 135040601 1 O3C13H14 A3B13C14 -95.14 6.22 -9.88 -0.58 0
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399499 135040618 2 OC9H12 AB9C12 -53.85 3.29 -8.16 0.3 0