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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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385072 134978260 2 OC11H20 AB11C20 -135.84 0.72 -9.97 1.97 0
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385073 134978261 1 O4C17H28 A4B17C28 -180.18 1.38 -9.84 1.6 0
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385074 134978262 2 BrO2H8C11 AB2C8D11 -41.62 6.81 -9.07 -0.98 0
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385075 134978264 3 OC7H10 AB7C10 -117.46 5.26 -9.79 0.34 0
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385076 134978268 1 O2C19H28 A2B19C28 -30.25 1.04 -9.66 1.09 0
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385077 134978271 1 O4C17H28 A4B17C28 -184.14 7.09 -9.82 0.55 0
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385078 134978273 1 O5C19H30 A5B19C30 -217.46 5.26 -9.7 1.33 0
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385079 134978274 1 SiO2C23H44 AB2C23D44 -145.19 2.98 -9.02 1.55 0
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385080 134978279 4 H4C5 A4B5 157.9 0.33 -8.67 -0.63 0
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385081 134978280 1 C11H14 A11B14 61.54 0.19 -8.94 0.04 0
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385082 134978281 1 OSiC17H20 ABC17D20 -29.74 0.95 -9.41 0.06 0
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385083 134978284 1 NNaC9H18 ABC9D18 50.87 15.11 -3.71 -0.11 0
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385084 134978285 1 O3C18H22 A3B18C22 -74.77 2.96 -9.69 -0.93 0
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385085 134978287 2 O3C10H11 A3B10C11 -208.32 5.53 -10.11 -1.42 0
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385086 134978288 1 NO3C19H21 AB3C19D21 -40.03 3.69 -8.13 -0.71 0
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385087 134978290 1 BLiN2C9H20 ABC2D9E20 -34.99 4.75 -6.9 1.74 0
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385088 134978292 1 O4C15H22 A4B15C22 -172.48 3.03 -9.14 0.13 0
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385089 134978294 4 H5C6 A5B6 190.86 1.53 -8.27 -0.44 0
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385090 134978295 4 H5C6 A5B6 297.6 0.64 -8.45 -0.43 1
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385091 134978297 1 Se3H17C21 A3B17C21 109.69 0.53 0.0 0.0 1
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385092 134978301 1 NH20C22 AB20C22 117.75 1.39 0.0 0.0 0
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385093 134978302 1 BNF4C21H24 ABC4D21E24 -250.43 12.88 -9.31 -3.07 0
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385095 134978306 1 O6H47C63 A6B47C63 121.7 0.87 0.0 0.0 0
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385096 134978308 1 NSO3C17H25 ABC3D17E25 -111.68 4.34 -9.2 0.24 0
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385097 134978309 1 PBr2C13H25 AB2C13D25 -72.38 5.64 -8.77 -0.47 0
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385098 134978311 1 PC4O6H7 AB4C6D7 -275.15 2.74 -10.35 -0.54 0
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385099 134978312 1 PO2C19H37 AB2C19D37 -208.3 2.57 -9.35 1.59 0
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385100 134978313 1 P2F6C23H24 A2B6C23D24 -222.64 16.67 -6.49 -1.06 0
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385101 134978315 1 P2F6H26C27 A2B6C26D27 -409.68 18.78 -9.27 -1.15 1
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385102 134978316 1 PH26C27 AB26C27 83.77 13.21 0.0 0.0 0
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385103 134978317 1 BrPN2C23H34 ABC2D23E34 -30.24 12.43 -7.66 -0.47 0
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385104 134978318 1 BrPN2C21H28 ABC2D21E28 -8.28 6.47 -7.55 0.07 0
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385105 134978322 1 IPSC17H38 ABCD17E38 -109.0 6.95 -7.98 0.41 0
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385106 134978326 1 IOPC7H16 ABCD7E16 -94.52 7.55 -8.14 0.1 0
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385107 134978328 1 BrPN2O2C26H28 ABC2D2E26F28 -25.67 6.01 -8.52 -0.18 0
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385108 134978332 1 SN2O6C28H28 AB2C6D28E28 -103.0 10.86 -9.11 -1.21 0
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385109 134978333 1 ClNSO4C28H28 ABCD4E28F28 -107.08 7.43 -8.86 -0.68 0
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385110 134978338 2 OC9H14 AB9C14 -132.37 1.69 -9.01 0.46 0
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385111 134978339 2 OC6H8 AB6C8 -86.88 2.97 -9.84 -0.32 0
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385112 134978342 1 BLiP2C34H58 ABC2D34E58 -120.46 6.0 -7.89 0.84 0
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385113 134978344 8 OSi2P3C11H28 AB2C3D11E28 -4001.75 41.19 -5.5 -0.26 0
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385114 134978345 1 P2C47H98 A2B47C98 -250.6 1.59 -8.52 3.09 0
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385115 134978347 1 PC12H17 AB12C17 17.94 2.14 -8.86 0.48 0
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385116 134978348 1 NPO3C15H32 ABC3D15E32 -231.2 4.75 -9.38 0.93 -4
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385120 134978360 2 SiH11C12 AB11C12 244.22 1.42 -8.9 -0.77 0
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385121 134978362 1 O3C16H24 A3B16C24 -120.27 2.83 -8.82 0.09 0
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385122 134978363 1 Si2O3C29H50 A2B3C29D50 -262.46 3.42 -8.87 0.1 0
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385123 134978364 1 SiO4C25H40 AB4C25D40 -230.73 2.97 -8.76 0.14 0
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385125 134978368 2 RuC17H19 AB17C19 338.63 18.84 -7.9 -4.16 0
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385127 134978371 1 NSi2C26H39 AB2C26D39 90.35 4.28 -9.06 0.17 0