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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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14392 410684 1 O3C8H12 A3B8C12 -114.6 6.56 -10.55 0.33 0
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14393 410685 1 NC15H17 AB15C17 17.11 1.4 -7.93 -0.13 0
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14394 410687 1 ClH17C25 AB17C25 90.32 2.18 -9.02 -0.71 0
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14395 410688 2 OH10C13 AB10C13 14.0 0.81 -8.98 -0.27 0
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14396 410734 1 HgCl2O2H8C13 AB2C2D8E13 11.66 2.71 -9.78 -1.22 0
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14397 410735 1 NSO4H13C20 ABC4D13E20 -65.29 4.14 -8.77 -1.28 0
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14398 410773 1 NC13H19 AB13C19 5.87 1.61 -8.63 0.48 0
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14399 410775 1 INC19H19 ABC19D19 74.12 3.21 0.0 0.0 1
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14400 410786 1 NF3C11H15 AB3C11D15 -123.04 7.26 0.0 0.0 1
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14401 410801 1 NC19H26 AB19C26 42.3 2.44 0.0 0.0 1
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14402 410802 1 NC19H26 AB19C26 32.57 1.25 0.0 0.0 1
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14403 410803 1 NC19H36 AB19C36 -1.32 0.31 0.0 0.0 1
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14404 410811 1 ClNOC10H14 ABCD10E14 -2.18 3.16 -9.38 -0.87 0
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14405 410813 1 NO3C7H13 AB3C7D13 -136.79 5.35 -9.6 0.89 0
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14406 410823 1 NO3H15C17 AB3C15D17 -56.6 5.96 -9.24 -0.71 0
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14407 410837 1 NOH21C22 ABC21D22 38.09 3.38 -9.08 -0.63 0
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14408 410838 1 NSC21H23 ABC21D23 59.31 3.47 -8.0 0.09 0
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14409 410839 1 NO2C21H21 AB2C21D21 -22.89 2.68 -8.81 0.07 0
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14410 410840 1 NC21H21 AB21C21 67.36 1.67 -8.97 0.12 0
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14411 410841 1 NO2C23H23 AB2C23D23 -13.4 0.88 -8.79 0.08 0
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14412 410916 1 BrN3O3C20H24 AB3C3D20E24 -89.49 5.74 -8.63 -0.86 0
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14413 410922 1 N3C25H27 A3B25C27 79.6 2.57 -8.17 -0.21 0
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14414 410936 1 ClO5C18H18 AB5C18D18 -64.56 2.93 0.0 0.0 1
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14415 410945 1 NO4C11H20 AB4C11D20 -150.68 1.16 0.0 0.0 1
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14416 410946 1 ZnN4O4C34H36 AB4C4D34E36 39.01 7.61 -8.08 -1.16 -4
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14417 410947 2 N2O2C17H20 A2B2C17D20 -89.68 4.58 -7.75 -0.95 0
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14418 410951 1 SCl2H2N4C5 AB2C2D4E5 107.16 3.72 -10.15 -2.26 0
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14419 410952 1 ClON7H8C11 ABC7D8E11 120.46 7.22 -9.34 -1.41 0
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14420 411057 1 SN2C10H14 AB2C10D14 20.34 2.41 -9.02 -0.22 0
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14421 411060 1 NO3C12H15 AB3C12D15 -109.08 6.19 -9.11 -0.1 0
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14422 411062 1 PN3O4C12H30 AB3C4D12E30 -246.0 4.83 -8.48 0.92 0
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14423 411073 1 NO2C22H25 AB2C22D25 -28.78 2.2 -8.87 -0.5 0
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14424 411082 2 NC11H17 AB11C17 88.75 3.14 -3.57 -2.54 2
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14425 411105 1 ON2C22H32 AB2C22D32 -13.48 1.43 -8.62 0.28 0
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14426 411138 1 N2O3C24H30 A2B3C24D30 -64.32 3.44 -8.94 -0.48 0
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14427 411141 2 NOC13H20 ABC13D20 -90.79 1.74 -8.34 0.32 0
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14428 411163 1 ClNC18H22 ABC18D22 25.89 1.93 -8.95 0.16 0
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14429 411268 1 NOS2C8H9 ABC2D8E9 11.3 1.83 -8.64 -0.47 0
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14430 411293 1 NO2C16H17 AB2C16D17 -28.25 4.28 -9.39 -0.76 0
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14431 411299 2 SN2C8H17 AB2C8D17 -23.41 1.84 -8.84 0.16 0
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14432 411300 1 NO2H14C17 AB2C14D17 -0.34 6.77 0.0 0.0 1
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14433 411301 1 NOH16C17 ABC16D17 23.97 1.7 0.0 0.0 1
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14434 411302 1 NO3C17H19 AB3C17D19 -69.9 3.11 -8.9 -0.24 0
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14435 411307 1 NOC17H21 ABC17D21 -11.74 1.21 -9.15 0.19 0
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14436 411312 1 NO3C18H21 AB3C18D21 -77.75 3.05 -8.72 -0.09 0
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14437 411340 1 NO2C22H31 AB2C22D31 -73.63 4.02 -8.78 0.06 0
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14438 411352 1 OCl2N3C16H21 AB2C3D16E21 -17.7 3.12 -8.31 -0.57 0
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14439 411381 1 SN6C7H10 AB6C7D10 122.16 9.33 -9.7 -1.76 0
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14440 411413 1 NOC18H20 ABC18D20 33.18 5.09 0.0 0.0 1
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14441 411432 1 NOC21H23 ABC21D23 13.5 2.94 -8.45 -0.52 0