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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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434002 135174152 1 SN3O3C26H37 AB3C3D26E37 -80.02 7.3 -8.97 -0.52 0
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434003 135174153 1 BrON2C19H23 ABC2D19E23 8.46 3.9 -8.67 -0.4 0
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434004 135174154 1 F3N3C22H22 A3B3C22D22 -72.08 5.91 -9.23 -1.52 0
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434005 135174155 1 OCl3N3C18H18 AB3C3D18E18 -2.12 4.25 -8.98 -1.14 0
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434006 135174156 1 ON2C22H30 AB2C22D30 1.98 3.29 -8.88 0.19 0
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434007 135174157 2 NC12H16 AB12C16 30.7 2.22 -8.75 -0.18 0
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434008 135174159 1 ClON2C20H25 ABC2D20E25 -14.42 4.65 -8.96 -0.16 0
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434009 135174160 1 BrClSN2C19H22 ABCD2E19F22 36.03 2.09 -8.73 -0.72 0
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434010 135174161 1 PN3O5C15H28 AB3C5D15E28 -257.6 5.3 -9.33 0.25 0
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434011 135174162 1 ON4C23H26 AB4C23D26 72.99 7.03 -9.05 -1.33 0
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434012 135174165 1 BrN2C21H23 AB2C21D23 87.62 2.0 -8.77 -0.62 0
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434013 135174166 1 ClON2C23H31 ABC2D23E31 -27.95 2.65 -8.74 -0.09 0
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434014 135174167 1 ON2C23H32 AB2C23D32 -16.86 2.99 -8.65 0.21 0
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434015 135174168 1 PO4N5C17H20 AB4C5D17E20 -107.65 3.49 -8.85 -0.26 0
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434016 135174169 1 PO4N6C26H33 AB4C6D26E33 -126.19 4.65 -9.1 -0.55 0
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434017 135174170 1 PO4N5C19H20 AB4C5D19E20 -116.39 5.76 -8.68 -0.65 1
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434018 135174171 1 ClPO3N5C19H20 ABC3D5E19F20 -66.33 1.98 0.0 0.0 0
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434019 135174172 1 FPN3O8C31H35 ABC3D8E31F35 -393.95 8.0 -8.88 -0.55 0
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434020 135174173 1 SO2C7H10 AB2C7D10 -74.5 3.05 -8.8 -0.04 0
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434021 135174174 1 PO4N6C26H33 AB4C6D26E33 -123.44 1.25 -8.97 -0.39 0
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434022 135174175 1 BrClN2O2C23H26 ABC2D2E23F26 10.6 3.48 -8.79 -0.76 0
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434023 135174176 1 PO4N6C28H31 AB4C6D28E31 -91.03 7.09 -8.55 -1.06 0
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434024 135174177 1 ON5C11H15 AB5C11D15 33.77 3.76 -8.78 -0.19 0
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434025 135174178 1 PO3N6C27H29 AB3C6D27E29 -15.89 2.33 -8.96 -0.59 0
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434026 135174179 1 BrClON2C22H26 ABCD2E22F26 4.15 2.08 -8.95 -0.59 0