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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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225211 85747943 1 BrNOSeC16H22 ABCDE16F22 -17.92 4.23 -8.23 -0.48 0
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225212 85747953 1 BrNOSeC14H18 ABCDE14F18 105.34 17.98 -6.95 -2.49 1
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225213 85747954 1 NOSeC14H18 ABCD14E18 14.19 1.41 0.0 0.0 0
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225214 85747958 2 H7C8 A7B8 133.62 0.82 -8.15 -0.36 1
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225215 85747961 1 PN2O4H20C25 AB2C4D20E25 64.3 8.45 0.0 0.0 0
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225216 85747962 1 NO6H37C41 AB6C37D41 -118.58 2.13 -7.9 -0.65 0
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225217 85747965 1 NO6H43C52 AB6C43D52 -40.67 1.86 -7.84 -0.64 0
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225218 85747969 1 O2C13H24 A2B13C24 -134.94 2.11 -9.65 2.07 0
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225219 85747971 1 O2C17H22 A2B17C22 -42.41 1.33 -8.54 0.04 0
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225220 85747972 1 N7O12C27H49 A7B12C27D49 -588.33 3.51 -9.68 -0.23 0
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225221 85747977 1 NO7H37C41 AB7C37D41 -148.72 1.83 -7.82 -0.67 0
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225222 85747983 1 ClO5C17H17 AB5C17D17 -142.94 4.58 -8.8 -0.42 0
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225223 85747988 1 OC20H24 AB20C24 -20.75 3.22 -9.24 0.41 0
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225224 85747990 1 NOC12H13 ABC12D13 -21.32 3.7 -8.98 0.2 0
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225225 85747992 1 NO2C13H15 AB2C13D15 -62.07 4.91 -8.74 0.23 0
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225226 85748007 1 FSN3O4H12C16 ABC3D4E12F16 -106.15 6.95 -8.44 -1.64 0
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225227 85748010 1 FOSC3N3H6 ABCD3E3F6 -60.07 3.44 -9.08 -0.51 0
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225228 85748011 1 SiO4C15H24 AB4C15D24 -209.32 6.28 -8.96 -0.42 0
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225229 85752747 1 N4O5C26H28 A4B5C26D28 -132.58 1.11 -8.96 -0.27 0
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225230 85752752 1 N2O7C19H24 A2B7C19D24 -285.08 5.24 -9.29 -1.4 0
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225231 85752759 2 O5C10H16 A5B10C16 -471.9 7.38 -9.73 0.13 0
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225232 85752760 1 ClON3C10H14 ABC3D10E14 -27.78 2.02 -9.19 -0.52 0
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225233 85752761 1 ClON3C13H20 ABC3D13E20 -45.72 2.3 -9.15 -0.48 0
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225234 85752762 1 ON2Cl3C10H11 AB2C3D10E11 9.19 5.54 -9.34 -1.1 0
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225235 85752763 1 O2Cl3N3H4C7 A2B3C3D4E7 -4.4 1.85 -10.35 -1.66 0