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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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381350 134972060 1 NO3C16H19 AB3C16D19 13.27 6.85 -10.13 -1.28 0
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381351 134972061 1 NSiO5C43H51 ABC5D43E51 -67.16 4.66 -8.99 -1.35 0
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381352 134972062 1 NO18C33H39 AB18C33D39 -758.5 1.74 -10.01 -1.3 0
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381353 134972063 2 O3C10H12 A3B10C12 -206.0 2.16 -9.34 -0.62 0
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381354 134972064 2 O2C11H17 A2B11C17 -186.86 2.05 -8.9 0.59 0
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381355 134972065 1 OC11H16 AB11C16 -5.16 2.04 -9.73 1.25 -1
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381356 134972067 1 NOC12H16 ABC12D16 9.64 1.55 0.0 0.0 0
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381357 134972068 1 NOC12H17 ABC12D17 -11.74 6.42 -8.17 0.07 0
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381358 134972069 1 NSi2O5C32H65 AB2C5D32E65 -374.64 9.31 -8.65 0.33 0
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381359 134972070 1 NO2C10H17 AB2C10D17 -41.51 2.59 -9.87 0.67 0
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381360 134972073 1 NSiO3C20H31 ABC3D20E31 -184.67 2.96 -8.63 -0.37 0
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381361 134972075 1 N2O5C22H22 A2B5C22D22 -136.38 3.85 -9.12 -1.09 0
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381362 134972077 1 NOC12H21 ABC12D21 -40.59 1.66 -8.18 1.38 0
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381363 134972080 1 ClO6H29C31 AB6C29D31 -150.36 2.25 -9.28 -1.91 0
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381364 134972081 1 PN2O6H39C40 AB2C6D39E40 -140.39 3.24 -8.93 -0.48 0
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381365 134972082 2 O3C10H12 A3B10C12 -207.42 4.71 -9.04 -0.58 0
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381366 134972083 1 O7C21H26 A7B21C26 -241.21 5.41 -8.81 -0.46 0
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381367 134972084 1 O9C23H30 A9B23C30 -327.45 6.12 -8.6 -0.12 0
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381368 134972085 1 N2O5C22H24 A2B5C22D24 -135.41 6.11 -9.6 -0.88 0
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381369 134972086 1 PN2O6H39C40 AB2C6D39E40 -131.24 5.59 -8.45 -0.54 1
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381370 134972087 1 PN2O6C40H40 AB2C6D40E40 -152.12 2.8 0.0 0.0 0
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381371 134972088 2 NO2C7H12 AB2C7D12 -175.11 2.48 -9.38 -0.2 0
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381372 134972089 1 NO2C25H25 AB2C25D25 -4.13 2.84 -8.5 -0.43 1
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381373 134972090 1 NO2C26H30 AB2C26D30 -16.55 4.22 0.0 0.0 0
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381374 134972091 1 NO2C26H29 AB2C26D29 -38.74 3.16 -8.39 0.05 0
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381377 134972094 4 H4C5 A4B5 117.86 2.44 -8.52 -0.61 0
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381378 134972095 1 ON2C24H28 AB2C24D28 11.29 1.28 -8.68 -0.71 0
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381379 134972096 1 SiO4C18H32 AB4C18D32 -241.22 2.52 -9.02 0.04 0
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381380 134972097 1 N5O5C29H33 A5B5C29D33 -178.2 9.53 -8.74 -0.27 0
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381381 134972098 1 NO2C13H17 AB2C13D17 -53.58 2.24 -8.86 0.03 0
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381382 134972099 1 N2O3C21H22 A2B3C21D22 -55.54 3.34 -7.98 -1.6 0
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381383 134972100 1 N3O5H17C19 A3B5C17D19 -49.14 7.76 -8.93 -2.01 0
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381384 134972101 1 N4O9C32H36 A4B9C32D36 -310.03 2.52 -8.6 -0.98 0
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381385 134972102 2 N2O5C16H18 A2B5C16D18 -348.88 2.07 -8.29 -0.98 0
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381386 134972104 2 BrPO2C10H10 ABC2D10E10 -202.26 4.8 -8.31 -1.13 0
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381387 134972105 1 BrH19C21 AB19C21 59.91 2.78 -8.33 -1.12 1
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381388 134972106 1 PO4C21H22 AB4C21D22 -112.22 4.58 0.0 0.0 0
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381389 134972107 1 ClP2O6C24H31 AB2C6D24E31 -351.34 3.63 -9.15 -0.24 0
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381390 134972108 1 O4C17H22 A4B17C22 -157.63 3.1 -9.74 -0.19 0
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381391 134972109 1 O7C23H30 A7B23C30 -295.84 2.02 -9.66 -0.07 0
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381392 134972110 1 O7C23H30 A7B23C30 -293.87 0.93 -9.67 -0.06 0
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381393 134972111 2 O2C14H15 A2B14C15 -107.99 1.53 -9.26 0.04 0
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381394 134972113 1 O2N3H17C22 A2B3C17D22 28.32 4.51 -7.97 -1.67 0
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381395 134972114 1 ClO2N3H16C22 AB2C3D16E22 17.79 6.02 -8.05 -1.78 0
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381396 134972116 1 Cl2P2O5C25H30 A2B2C5D25E30 -307.63 9.3 -9.15 -0.7 0
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381397 134972117 1 PO3C20H21 AB3C20D21 -142.97 3.63 -8.14 -0.86 0
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381398 134972118 1 Cl2O3H8C15 A2B3C8D15 -47.97 3.46 -9.21 -1.41 0
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381399 134972119 1 ON2H10C11 AB2C10D11 31.71 5.79 -8.81 -0.44 0
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381400 134972120 1 ISnO2C19H35 ABC2D19E35 -125.71 3.02 -9.16 -0.67 0
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381401 134972121 1 OSC13H20 ABC13D20 -53.24 1.1 -8.76 0.48 0