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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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4975 12367 1 OC9H20 AB9C20 -94.52 2.32 -10.29 3.02 0
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4976 12368 2 BrC3H6 AB3C6 -28.78 2.79 -10.47 -0.09 0
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4977 12369 1 BrC7H15 AB7C15 -36.73 1.97 -10.4 0.02 0
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4978 12370 2 C4H7 A4B7 21.98 1.03 -10.57 1.86 0
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4979 12371 1 ClC7H15 AB7C15 -47.03 2.37 -10.59 0.9 0
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4980 12372 1 NC7H13 AB7C13 -4.14 4.01 -11.42 1.32 0
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4981 12373 2 IC3H6 AB3C6 -0.96 2.78 -9.73 -0.84 0
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4982 12374 2 OC3H7 AB3C7 -112.49 3.04 -10.34 2.57 0
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4983 12375 2 OC3H7 AB3C7 -100.01 0.06 -9.75 1.63 0
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4984 12376 2 C2O2H3 A2B2C3 -165.24 1.5 -11.19 0.2 0
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4985 12378 8 CH AB 58.4 0.01 -8.97 0.27 0
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4986 12379 1 NaO2C12H23 AB2C12D23 -178.93 5.79 -9.53 0.45 0
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4987 12381 1 O2C7H16 A2B7C16 -122.74 0.16 -10.46 2.58 0
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4988 12383 1 OCl2C6H12 AB2C6D12 -83.65 0.61 -10.01 0.85 0
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4989 12385 2 NC4H6 AB4C6 28.71 5.34 -11.76 1.14 0
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4990 12390 1 NC13H25 AB13C25 -32.65 3.83 -10.88 1.36 0
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4991 12391 1 C15H32 A15B32 -78.71 0.06 -10.72 4.05 0
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4992 12392 1 OC14H30 AB14C30 -105.49 1.46 -9.56 2.4 0
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4993 12394 1 BrC15H31 AB15C31 -74.77 2.22 -10.48 -0.02 0
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4994 12396 2 C8H15 A8B15 -16.21 1.16 -10.58 1.82 0
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4995 12398 1 C17H36 A17B36 -86.2 0.04 -10.45 4.12 0
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4996 12399 1 OC16H34 AB16C34 -118.23 1.99 -9.62 2.38 0
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4997 12400 1 O2C31H62 A2B31C62 -227.53 1.77 -10.28 0.74 0
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4998 12401 1 C19H40 A19B40 -95.15 0.06 -10.48 4.08 0
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4999 12402 1 IC18H37 AB18C37 -76.85 1.99 -9.72 -0.7 0
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5001 12406 1 C25H52 A25B52 -121.84 0.04 -10.43 4.1 0
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5002 12410 1 C31H64 A31B64 -154.15 0.09 -10.32 4.01 0
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5003 12416 1 NC5H9 AB5C9 2.8 3.88 -11.98 1.45 0
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5004 12422 1 SO9C28H32 AB9C28D32 -346.29 10.04 -9.8 -1.41 0
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5005 12423 1 CIN3O6 ABC3D6 45.61 3.19 -11.44 -3.53 0
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5006 12427 1 ClN2O2C16H27 AB2C2D16E27 -109.94 6.06 -9.0 -0.7 0
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5007 12428 2 NOC8H13 ABC8D13 -72.89 2.38 -8.54 -0.5 0
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5008 12431 1 NO4C8H20 AB4C8D20 -154.48 1.98 0.0 0.0 1
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5009 12432 1 NC2O2H7 AB2C2D7 -104.54 7.44 -10.66 1.16 0
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5010 12436 1 OH2C3Cl4 AB2C3D4 -61.41 1.89 -10.77 -1.48 0
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5011 12437 1 ON2C5H12 AB2C5D12 -44.23 3.57 -9.2 1.09 0
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5012 12441 1 NO4C19H19 AB4C19D19 -99.32 2.17 -8.28 -0.51 0
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5013 12443 1 O3Br4C8 A3B4C8 -51.72 4.7 -10.65 -2.53 0
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5014 12444 1 BrO2H7C14 AB2C7D14 -3.59 1.14 -10.01 -1.83 0
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5015 12448 1 N3H19C20 A3B19C20 96.61 6.06 -8.41 -0.68 0
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5016 12449 1 SN2O4C27H34 AB2C4D27E34 -93.42 15.84 -8.35 -1.75 0
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5017 12452 1 O2C19H24 A2B19C24 -85.92 4.36 -9.68 -0.58 0
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5018 12454 1 ClOSN2C22H25 ABCD2E22F25 4.49 1.77 -8.48 -0.67 0
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5019 12455 1 O2C19H22 A2B19C22 -50.12 2.95 -8.65 0.16 0
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5020 12456 1 ClNO4H18C20 ABC4D18E20 -96.14 0.9 -8.02 -0.77 0
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5021 12458 1 NaSN2O4H11C16 ABC2D4E11F16 -88.98 6.41 -8.44 -0.8 0
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5022 12459 1 ClOH7C10 ABC7D10 -11.43 3.01 -8.67 -0.78 0
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5023 12460 1 NOC12H17 ABC12D17 -22.82 1.51 -8.58 0.34 0
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5024 12461 1 OH12C13 AB12C13 -1.28 3.83 -9.14 -1.0 0
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5025 12463 2 HCl2C3 AB2C3 -3.44 1.86 -9.71 -1.01 0