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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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193012 78337138 1 OSN5C17H21 ABC5D17E21 62.2 2.73 -8.78 -0.15 0
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193013 78337139 1 O2S3N4H22C24 A2B3C4D22E24 25.17 2.81 -8.77 -0.86 0
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193014 78337140 4 NOC6H6 ABC6D6 -20.94 19.63 -8.26 -1.45 0
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193015 78337141 4 NOC6H6 ABC6D6 -39.87 4.74 -8.99 -1.39 0
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193016 78337460 1 ON4C19H28 AB4C19D28 1.02 4.39 -8.93 0.28 0
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193017 78337553 1 BrN2O3H21C23 AB2C3D21E23 -46.93 3.16 -9.19 -1.16 0
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193018 78337554 1 FN4O4H17C22 AB4C4D17E22 -75.64 6.11 -9.28 -1.24 0
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193019 78337555 1 OSN3H25C30 ABC3D25E30 103.79 2.69 -8.18 -1.46 0
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193020 78337556 1 NO5C26H35 AB5C26D35 -192.64 2.38 -8.82 -0.72 0
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193021 78337557 1 N4O7C23H24 A4B7C23D24 -151.0 8.73 -8.53 -1.74 0
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193022 78337558 1 S2N3O3H17C18 A2B3C3D17E18 22.44 4.42 -8.81 -1.95 0
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193023 78337559 1 ClN3O6C26H30 AB3C6D26E30 -165.51 5.21 -8.61 -0.91 1
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193024 78337560 1 N5O5C24H32 A5B5C24D32 -154.81 1.77 0.0 0.0 0
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193025 78337561 1 SO3N5C17H17 AB3C5D17E17 -8.88 11.31 -8.81 -1.69 0
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193026 78337562 1 SO2N5C27H37 AB2C5D27E37 -52.44 4.3 -9.1 -0.68 0
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193027 78337563 1 N3O3H19C22 A3B3C19D22 2.31 4.61 -8.78 -1.64 0
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193028 78337564 1 FN3O3H4C7 AB3C3D4E7 -18.24 3.41 -10.09 -2.1 0
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193029 78337565 1 Cl2N2F3O3H19C21 A2B2C3D3E19F21 -239.51 3.25 -8.6 -0.69 0
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193030 78337566 1 O2S2N3H23C24 A2B2C3D23E24 10.25 5.69 -8.66 -1.42 0
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193031 78337567 1 SO3N5C27H33 AB3C5D27E33 -72.82 4.99 -8.68 -0.52 0
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193032 78337568 1 SN3O6C19H23 AB3C6D19E23 -192.35 9.08 -9.89 -1.71 0
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193033 78337569 1 O2F3N4C19H25 A2B3C4D19E25 -244.03 4.46 -9.74 -0.76 0
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193034 78337570 1 F3O4N5H20C21 A3B4C5D20E21 -200.79 11.84 -9.76 -1.35 0
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193035 78337571 1 SN3O5C22H29 AB3C5D22E29 -177.93 8.79 -9.23 -1.0 0
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193036 78337572 1 SN4O7C18H26 AB4C7D18E26 -194.32 9.45 -9.42 -1.91 0