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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
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5026 12473 1 NO2C5H5 AB2C5D5 -55.48 5.42 -9.84 -0.34 0
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5027 12474 1 N3O7C42H45 A3B7C42D45 -212.34 2.15 -8.02 -1.25 0
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5028 12475 1 O3C8H8 A3B8C8 -106.33 6.19 -10.96 -1.61 0
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5029 12476 1 ClNO2H6C7 ABC2D6E7 -72.14 5.26 -9.22 -0.92 0
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5030 12478 1 NO5C14H19 AB5C14D19 -167.73 2.21 -8.47 -0.21 0
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5031 12479 2 O2C5H5 A2B5C5 -145.99 3.48 -9.18 -0.21 0
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5032 12481 1 ClO2H5C7 AB2C5D7 -57.8 5.05 -9.49 -1.05 0
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5033 12482 1 NSH11C13 ABC11D13 69.73 3.79 -8.92 -0.46 0
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5034 12485 1 OSN2C5H6 ABC2D5E6 -21.8 2.08 -9.43 -0.91 0
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5035 12488 2 HI2C3 AB2C3 94.94 0.0 -9.66 -1.72 0
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5036 12490 1 O5H6C8 A5B6C8 -186.61 6.84 -10.69 -1.54 0
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5037 12491 2 O2C6H7 A2B6C7 -161.14 2.17 -10.43 -0.98 0
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5038 12492 1 ClSN3O3C14H20 ABC3D3E14F20 -100.58 4.31 -9.01 -1.1 0
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5039 12495 1 INO2H4C6 ABC2D4E6 36.42 4.01 -10.15 -1.72 0
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5041 12498 1 Cl2N5C11H17 A2B5C11D17 -2.94 4.86 -9.28 -0.67 0
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5042 12500 1 C9H10 A9B10 27.99 0.96 -8.94 0.16 0
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5043 12501 1 NSC7H7 ABC7D7 47.91 1.31 -9.19 -0.17 0
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5045 12507 1 OC9H10 AB9C10 -2.87 1.61 -8.58 0.11 0
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5046 12509 2 NOC2H5 ABC2D5 -76.01 3.86 -9.53 0.49 0
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5047 12510 1 ClIH4C6 ABC4D6 30.37 0.25 -9.48 -1.1 0
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5048 12511 2 OC3H4 AB3C4 -88.82 0.01 -10.3 0.09 0
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5049 12512 1 OC6H14 AB6C14 -76.19 1.49 -9.61 2.46 0
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5050 12513 1 IC5H11 AB5C11 -16.06 2.59 -9.58 -0.64 0
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5051 12514 1 SC6H8 AB6C8 7.5 0.12 -8.95 0.23 0
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5052 12516 1 O2C7H12 A2B7C12 -102.46 2.32 -10.25 0.1 0
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5053 12518 1 NS2C6H13 AB2C6D13 -12.4 3.42 -8.47 0.45 0
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5054 12519 1 PC6H7 AB6C7 25.18 1.77 -8.99 0.23 0
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5055 12520 3 OC6H12 AB6C12 -221.67 2.35 -10.3 0.52 0
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5056 12523 2 C10H21 A10B21 -105.01 0.19 -10.37 3.98 0
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5058 12526 2 NOSC4H8 ABCD4E8 -111.03 5.74 -8.9 -1.11 0
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5059 12527 1 IC6H13 AB6C13 -18.91 1.93 -9.75 -0.75 0
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5060 12528 1 SC6H14 AB6C14 -28.88 1.88 -8.49 0.88 0
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5061 12529 2 OC3H6 AB3C6 -107.23 1.73 -11.05 0.5 0
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5062 12530 1 O2C13H26 A2B13C26 -147.08 4.89 -10.85 0.67 0
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5063 12532 1 NC18H35 AB18C35 -56.09 3.95 -10.73 1.34 0
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5064 12533 1 OC18H36 AB18C36 -92.28 2.89 -9.88 0.51 0
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5066 12536 2 O3C12H16 A3B12C16 -260.13 9.17 -9.73 -0.39 0
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5067 12540 1 ClSnH15C18 ABC15D18 64.58 3.63 -9.72 -0.28 0
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5068 12542 1 FNOC2H4 ABCD2E4 -94.62 2.53 -10.77 0.7 0
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5069 12544 1 NO5C26H43 AB5C26D43 -289.35 5.94 -10.09 0.23 0
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5070 12545 1 NO2C18H19 AB2C18D19 -35.72 2.51 -8.35 -0.35 0
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5071 12548 1 O6H10C15 A6B10C15 -206.62 1.77 -9.37 -1.99 0
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5072 12549 6 H3C4 A3B4 95.25 0.04 -8.93 -0.14 0
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5073 12550 1 N2O9C28H40 A2B9C28D40 -413.31 9.18 -8.89 -1.07 0
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5074 12551 1 O2N3C9H13 A2B3C9D13 -70.28 5.84 -9.53 -0.15 0
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5075 12552 1 NOC19H25 ABC19D25 -4.93 1.58 -8.71 0.17 0
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5076 12553 1 NO2H15C17 AB2C15D17 -41.11 3.53 -8.64 -0.34 0
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5077 12554 1 N4O5H16C19 A4B5C16D19 -4.39 2.44 -8.99 -2.5 0
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5078 12555 1 ON3C19H23 AB3C19D23 43.99 1.89 -8.26 -0.19 0
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5079 12557 1 ClNaSN3O5H17C19 ABCD3E5F17G19 -173.17 4.96 -9.25 -0.69 0