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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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195245 78664948 1 ClN3O3C21H23 AB3C3D21E23 -67.62 5.47 0.0 0.0 0
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195246 78664949 1 ClN3O3C21H22 AB3C3D21E22 -83.85 3.92 -8.63 -0.3 1
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195247 78664950 1 N3O3C22H26 A3B3C22D26 -67.34 4.72 0.0 0.0 0
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195248 78664951 1 N3O3C22H25 A3B3C22D25 -81.21 3.11 -8.5 -0.1 1
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195249 78665016 1 ClN3O5C20H21 AB3C5D20E21 -123.74 6.59 0.0 0.0 2
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195250 78665158 1 O2N4C21H26 A2B4C21D26 25.31 12.34 -5.44 -1.34 0
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195251 78665167 1 ClNSO4C19H20 ABCD4E19F20 -101.45 5.26 -8.3 -1.1 0
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195252 78665223 1 ClSN2O4C20H23 ABC2D4E20F23 -132.89 4.47 -9.05 -1.18 0
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195253 78665528 1 FNSO2C16H16 ABCD2E16F16 -60.64 6.34 -9.57 -0.94 0
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195254 78665716 1 NF4O4H17C20 AB4C4D17E20 -319.71 3.26 -8.95 -1.05 2
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195255 78666073 1 ON4C24H34 AB4C24D34 34.41 8.6 -7.8 -0.41 0
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195256 78666074 1 ON4C24H32 AB4C24D32 0.78 1.84 -8.92 0.26 0
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195257 78666075 2 NO3C10H10 AB3C10D10 -198.13 3.87 -9.56 -0.74 0
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195258 78666358 1 FON2C18H21 ABC2D18E21 -63.13 2.48 -8.6 -0.18 0
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195259 78666374 1 O2N3C19H23 A2B3C19D23 -56.94 2.71 -8.42 -0.29 0
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195260 78666375 1 ClSN3O3H16C18 ABC3D3E16F18 -32.08 5.14 -9.05 -1.14 0
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195261 78666376 1 O2N3C20H25 A2B3C20D25 -64.66 2.81 -8.39 -0.28 0
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195262 78666489 1 SN3O5C18H21 AB3C5D18E21 -137.94 6.74 -8.65 -0.6 0
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195263 78666584 1 FO2N3C17H18 AB2C3D17E18 -96.42 5.85 -8.4 -0.28 0
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195264 78666649 1 SN2O2C23H24 AB2C2D23E24 -11.62 2.58 -8.23 -0.33 0
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195265 78666650 1 O2N3H21C23 A2B3C21D23 18.94 7.95 -8.58 -0.71 0
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195266 78667034 1 SO2N3C17H19 AB2C3D17E19 -41.07 3.67 -8.44 -0.46 0
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195267 78667395 1 O2N3C21H33 A2B3C21D33 -88.36 1.82 -8.73 0.22 1
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195268 78667396 1 N4O4C21H27 A4B4C21D27 -30.1 16.72 0.0 0.0 0
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195269 78667397 1 N4O4C21H26 A4B4C21D26 -47.77 5.8 -8.92 -1.26 0