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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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9475 89817 1 CsN3 AB3 30.49 11.58 -7.95 -0.07 0
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9476 89822 1 BrClNO2F3H12C17 ABCD2E3F12G17 -190.73 5.39 -10.13 -1.14 0
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9477 89832 2 O2C5H6 A2B5C6 -155.33 2.64 -8.63 -0.84 0
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9478 89833 1 O6C11H14 A6B11C14 -234.92 3.92 -10.87 -1.35 0
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9479 89892 1 NSCl2H3O6C7 ABC2D3E6F7 -138.91 2.28 -11.47 -2.6 0
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9480 89893 1 ClSN2H5O6C7 ABC2D5E6F7 -134.08 3.55 -11.14 -2.26 0
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9481 89903 1 PNa2O6H7C10 AB2C6D7E10 -397.29 3.44 -8.56 -0.46 0
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9482 89912 1 SN2O5C7H14 AB2C5D7E14 -208.83 4.93 -9.01 -0.76 0
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9483 89933 1 NBr2O2C18H19 AB2C2D18E19 -43.42 5.88 -8.35 -0.74 0
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9484 89953 1 ON2C9H12 AB2C9D12 -34.95 4.3 -8.41 0.23 0
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9485 89967 1 NO2C7H15 AB2C7D15 -110.71 2.0 -9.78 0.57 0
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9486 90031 1 CoC6N6 AB6C6 460.75 4.06 0.0 0.0 -4
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9487 90033 2 NC2O2H4 AB2C2D4 -167.54 6.84 -10.9 0.0 0
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9488 90048 1 NSO3H7C9 ABC3D7E9 -71.66 2.58 -10.1 -1.52 0
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9489 90050 1 O2C9H16 A2B9C16 -111.36 2.27 -10.66 0.61 0
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9490 90054 1 C11H12 A11B12 22.78 0.38 -8.67 0.16 0
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9491 90058 1 SN2O4H11C16 AB2C4D11E16 -32.89 5.02 0.0 0.0 1
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9492 90065 1 N2Cl3O3H5C8 A2B3C3D5E8 -40.13 3.49 -10.03 -1.83 0
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9493 90104 1 S2O4N5C26H43 A2B4C5D26E43 -142.3 9.62 -9.56 -1.29 0
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9494 90105 1 IN3C8H10 AB3C8D10 87.58 4.58 -8.65 -0.69 0
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9495 90106 1 FN3C8H10 AB3C8D10 24.65 4.15 -8.82 -0.15 0
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9496 90139 1 ZrO4C12H28 AB4C12D28 -225.5 6.74 -6.98 -0.69 0
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9497 90181 1 N3O6C11H15 A3B6C11D15 -159.13 11.58 -9.73 -0.97 0
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9498 90247 1 ON2H10C18 AB2C10D18 56.95 4.08 -8.95 -1.73 0
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9499 90287 3 FNOH4C5 ABCD4E5 -235.38 4.66 -8.97 -1.1 0
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9500 90289 1 NO3C8H9 AB3C8D9 -37.92 5.3 -10.22 -1.33 0
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9501 90304 1 ClNO4C13H20 ABC4D13E20 -167.16 5.76 -8.65 -0.59 0
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9502 90316 1 N2O3C16H26 A2B3C16D26 -112.0 7.21 -8.62 -0.34 0
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9503 90328 1 N3C7H9 A3B7C9 50.35 0.84 -9.37 0.39 0
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9504 90340 1 NaSO9C12H13 ABC9D12E13 -400.72 8.49 -10.58 -1.14 0
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9505 90353 1 O5C9H10 A5B9C10 -177.44 5.14 -9.38 -1.36 0
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9506 90371 1 BrNSO3C8H10 ABCD3E8F10 -113.9 3.55 -9.78 -1.34 0
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9507 90383 1 O5N7C19H19 A5B7C19D19 53.73 11.23 -8.84 -2.31 0
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9508 90384 1 PS3H9C12 AB3C9D12 93.92 1.64 -8.82 -0.3 0
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9509 90388 1 N2O3C6H12 A2B3C6D12 -145.05 2.12 -10.18 0.38 0
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9510 90389 1 OC13H20 AB13C20 -53.16 3.53 -9.37 0.04 0
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9511 90432 1 ClNO2C17H20 ABC2D17E20 -67.92 1.08 -9.18 -0.73 0
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9512 90464 1 SN2O5C6H6 AB2C5D6E6 -110.26 2.47 -9.76 -1.97 0
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9513 90465 4 OC4H4 AB4C4 -119.38 3.09 -8.81 -0.39 0
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9514 90470 2 OC3H4 AB3C4 -41.72 3.25 -11.04 0.01 0
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9515 90473 1 ClSO5N6C15H23 ABC5D6E15F23 -168.4 10.2 -9.52 -1.45 0
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9516 90475 1 SCl2N2O3C13H17 AB2C2D3E13F17 -117.28 2.61 0.0 0.0 1
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9517 90486 4 OC3H3 AB3C3 -120.82 2.06 -8.96 -0.95 0
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9518 90493 1 SN2C5H10 AB2C5D10 11.85 3.09 -8.83 0.02 0
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9519 90504 1 O6C25H28 A6B25C28 -179.43 5.62 -8.63 -0.54 0
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9520 90509 1 N2O3C6H8 A2B3C6D8 -141.4 1.78 -11.09 -0.76 0
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9521 90512 2 NOC15H21 ABC15D21 0.93 13.2 -4.84 0.24 2
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9522 90516 1 O2C25H50 A2B25C50 -204.45 2.18 -10.42 0.89 0
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9523 90519 1 OSC8H18 ABC8D18 -80.01 2.84 -8.82 0.52 0
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9524 90543 1 SN2O3C11H16 AB2C3D11E16 -123.48 7.02 -10.03 -0.45 0