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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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177404 76181437 2 NO3C7H10 AB3C7D10 -245.5 3.47 -9.67 -0.51 2
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177406 76181826 1 S4O10N11C52H55 A4B10C11D52E55 -234.53 2.02 -8.69 -1.47 0
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177407 76181843 1 CoO2N6C36H44 AB2C6D36E44 76.1 9.97 0.0 0.0 0
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177408 76181945 1 NO6H7C8 AB6C7D8 -219.39 2.49 -10.64 -1.51 0
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177409 76181946 2 O5C13H16 A5B13C16 -391.14 3.22 -8.52 -1.4 0
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177410 76182333 1 SN4O8C39H46 AB4C8D39E46 -281.45 10.65 -8.8 -0.69 0
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177411 76182509 1 SN4O5C17H18 AB4C5D17E18 -78.48 7.48 -9.78 -1.38 0
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177412 76182892 1 O4C11H16 A4B11C16 -169.08 1.05 -9.93 -0.41 0
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177413 76183475 1 ClNO3H10C11 ABC3D10E11 -56.83 4.97 -9.11 -1.65 -1
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177414 76183632 1 SO6H13C16 AB6C13D16 -146.31 5.32 0.0 0.0 -1
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177415 76183633 1 BrSO5H10C15 ABC5D10E15 -100.59 1.92 0.0 0.0 3
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177416 76183762 1 OYN2H8C10 ABC2D8E10 10.97 5.14 0.0 0.0 0
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177417 76183786 1 O3C10H16 A3B10C16 -152.76 2.02 -9.94 0.02 -1
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177418 76183787 1 PO7C13H24 AB7C13D24 -337.47 4.54 0.0 0.0 0
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177419 76183788 1 O3C11H18 A3B11C18 -156.38 2.45 -9.98 -0.04 -1
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177420 76183789 1 PO7C16H32 AB7C16D32 -358.17 4.53 0.0 0.0 0
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177421 76183790 1 O3C14H26 A3B14C26 -180.92 1.53 -10.17 -0.1 -1
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177422 76183791 1 PO7C15H22 AB7C15D22 -306.69 3.78 0.0 0.0 0
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177423 76183841 6 O2C6H7 A2B6C7 -497.14 3.63 -9.2 -0.58 0
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177424 76184286 1 O4N5H11C15 A4B5C11D15 -10.32 4.47 -9.47 -1.61 0
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177425 76184298 1 O3C11H16 A3B11C16 -118.8 6.07 -9.89 -0.37 0
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177426 76184299 1 NO2C12H15 AB2C12D15 -81.35 4.19 -9.77 -0.09 0
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177427 76184313 1 ClN2O3H13C18 AB2C3D13E18 -14.95 5.51 -8.3 -1.69 0
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177428 76184372 1 Cl2N2O4C17H20 A2B2C4D17E20 -177.25 8.4 -9.17 -0.63 0
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177429 76184373 1 BrO6H15C17 AB6C15D17 -186.02 2.18 -8.73 -1.48 1