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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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147873 53787531 1 N4O5H8C11 A4B5C8D11 -22.79 5.25 -8.31 -1.24 1
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147874 53787532 1 N4O5H9C11 A4B5C9D11 -32.18 3.84 0.0 0.0 0
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147875 53787533 1 I4O6C21H26 A4B6C21D26 -226.1 9.29 -8.73 -1.83 0
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147876 53787534 1 N4O11C26H44 A4B11C26D44 -576.39 4.44 -10.14 -0.04 0
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147877 53787535 1 N2F3O4C40H53 A2B3C4D40E53 -320.55 9.17 -8.99 -1.43 0
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147878 53787536 1 ClSSiN2O4C23H35 ABCD2E4F23G35 -251.88 3.55 -9.31 -0.48 0
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147879 53787537 2 NOC19H36 ABC19D36 -206.58 5.61 -10.16 0.41 0
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147880 53787538 1 ON3C25H35 AB3C25D35 -44.43 5.19 -8.11 0.19 0
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147881 53787539 2 NSO2C6H6 ABC2D6E6 27.6 0.78 -9.18 -1.28 0
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147882 53787541 1 O5N8C32H46 A5B8C32D46 -179.22 10.99 -8.88 -1.16 0
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147883 53787542 1 FSO2N3C24H28 ABC2D3E24F28 -66.09 2.59 -8.52 -0.94 0
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147884 53787543 1 NC28H61 AB28C61 -133.62 1.73 -8.63 2.96 0
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147885 53787544 2 OC5H7 AB5C7 -93.18 1.53 -8.55 0.17 0
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147886 53787545 1 C5O5H8 A5B5C8 -221.22 3.67 -11.13 -0.47 0
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147887 53787546 1 NOC22H31 ABC22D31 -41.06 3.2 -8.42 0.17 0
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147888 53787547 1 SO4C12H22 AB4C12D22 -223.15 3.08 -8.97 0.41 0
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147889 53787548 1 BrClC17H18 ABC17D18 13.03 1.29 -9.37 -0.1 0
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147890 53787549 1 NO9C14H21 AB9C14D21 -375.83 3.85 -10.18 -0.5 1
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147891 53787550 1 NSO2C29H54 ABC2D29E54 -150.16 4.06 0.0 0.0 0
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147892 53787551 1 FSO9C28H39 ABC9D28E39 -438.74 6.74 -9.47 -0.4 0
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147893 53787552 1 NO2C15H21 AB2C15D21 -83.91 5.42 -9.22 -0.71 0
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147894 53787553 2 PO4C19H20 AB4C19D20 -380.14 4.68 -9.13 -0.09 0
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147895 53787554 1 S3N5O9H23C26 A3B5C9D23E26 -178.4 10.59 -8.44 -1.92 0
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147896 53787555 2 O2N3C16H23 A2B3C16D23 -137.38 5.54 -8.87 -0.14 0
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147897 53787556 1 NO3C21H25 AB3C21D25 -101.75 5.46 -8.99 0.0 0