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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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225186 85747857 1 N2O5C16H18 A2B5C16D18 -148.39 4.43 -8.65 -0.06 0
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225187 85747858 1 N2O3C14H14 A2B3C14D14 -72.2 3.68 -8.69 -0.26 0
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225188 85747864 1 NO3C22H39 AB3C22D39 -169.4 2.48 -8.13 0.38 0
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225189 85747866 1 NO3C24H43 AB3C24D43 -179.06 1.18 -8.16 0.43 0
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225190 85747869 1 NO3C9H13 AB3C9D13 -97.95 3.28 -8.55 0.23 0
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225191 85747871 1 O4C9H16 A4B9C16 -206.35 2.0 -10.88 0.64 0
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225192 85747872 1 NO2C16H25 AB2C16D25 -109.0 2.35 -8.24 0.53 0
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225193 85747880 1 N2O3C15H16 A2B3C15D16 -84.14 6.21 -8.32 -0.3 0
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225194 85747881 1 N2O3C15H16 A2B3C15D16 -70.71 6.32 -8.34 -0.24 0
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225195 85747887 1 NC3H3O5 AB3C3D5 -112.7 1.45 -11.58 -1.74 0
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225196 85747889 1 O2N3C18H29 A2B3C18D29 -18.98 8.99 -8.75 -0.95 0
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225197 85747890 1 N2O4H18C21 A2B4C18D21 -83.76 4.99 -8.57 -0.94 0
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225198 85747894 1 O3C14H28 A3B14C28 -193.71 3.84 -10.47 0.8 0
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225199 85747898 1 NSiO3S3C21H27 ABC3D3E21F27 -171.96 4.2 -8.49 -1.1 0
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225200 85747906 1 N7O8C40H57 A7B8C40D57 -368.09 7.89 -9.25 0.08 0
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225201 85747911 2 N3H14C19 A3B14C19 239.53 10.81 -8.4 -1.92 0
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225202 85747912 1 ON2C24H26 AB2C24D26 -8.08 5.16 -8.34 -1.06 0
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225203 85747917 1 ClNOC13H18 ABCD13E18 -39.91 1.92 -8.85 0.28 0
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225204 85747918 1 LiC17H29 AB17C29 -47.43 7.29 -7.08 2.25 0
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225205 85747923 1 OC16H18 AB16C18 16.48 1.65 -8.81 0.06 0
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225206 85747926 1 FSN2O4H11C16 ABC2D4E11F16 -110.02 5.07 -9.2 -1.95 0
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225207 85747932 16 CH AB 50.03 0.76 -8.75 0.24 0
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225208 85747935 16 CH AB 82.15 0.75 -8.33 0.0 0
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225209 85747936 2 ClNH3C6 ABC3D6 68.24 4.23 -9.51 -1.62 -1
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225210 85747942 1 O4H13C19 A4B13C19 -38.07 2.26 0.0 0.0 0
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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
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225236 85752766 2 O2C13H22 A2B13C22 -261.9 3.53 -9.91 0.85 0
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225237 85752836 1 H3F7C12 A3B7C12 -267.14 2.59 -10.4 -1.46 0
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225238 85752852 1 OF5H7C13 AB5C7D13 -229.65 1.44 -10.23 -1.34 0
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225239 85752860 1 H4O5C7 A4B5C7 -115.6 1.17 -10.63 -2.16 0
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225240 85752865 1 NOC10H19 ABC10D19 -17.75 6.17 -8.93 0.82 0
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225241 85752870 1 NO3H13C21 AB3C13D21 90.16 5.14 -9.55 -1.55 0
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225242 85752877 1 FOC19H35 ABC19D35 -157.14 2.75 -9.67 0.73 0
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225243 85752880 1 O5H6C8 A5B6C8 -169.36 3.66 -10.92 -1.37 0
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225244 85752884 1 N2O3H14C19 A2B3C14D19 -2.45 9.54 -8.91 -1.15 0
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225245 85752891 1 NO3C21H23 AB3C21D23 -80.52 2.17 -8.84 -0.6 0
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225246 85752892 1 ClNO3H18C19 ABC3D18E19 -73.54 3.8 -9.0 -0.91 -1
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225247 85752900 1 NO4C15H26 AB4C15D26 -190.28 3.21 0.0 0.0 0
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225248 85752901 1 NO4C15H27 AB4C15D27 -207.42 5.15 -9.94 0.0 0
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225249 85752903 1 O5N6C23H30 A5B6C23D30 -109.8 7.54 -9.62 -1.29 0
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225250 85752909 1 NOCl2H9C13 ABC2D9E13 -1.68 4.44 -8.89 -1.16 0
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225251 85752915 1 SO2Cl3H5C12 AB2C3D5E12 -43.65 4.09 -9.86 -1.82 0
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225252 85752920 1 OCl3H7C14 AB3C7D14 -7.56 4.07 -9.37 -1.28 0
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225253 85752922 1 BrN2H13C19 AB2C13D19 100.22 4.44 -8.95 -1.1 0
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225254 85752925 1 NO5C17H25 AB5C17D25 -220.11 3.51 -9.01 -0.34 0
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225255 85752931 1 NO5C15H21 AB5C15D21 -210.29 6.57 -9.12 -0.45 0
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225256 85752935 2 O2C7H7 A2B7C7 -129.08 7.19 -8.93 -0.41 0
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225257 85752936 2 NSiO4C13H19 ABC4D13E19 -467.8 5.1 -8.02 -0.98 0
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225258 85752953 1 BrNO2H16C19 ABC2D16E19 -24.52 1.08 -9.28 -0.39 0
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225259 85752956 1 NO3H21C25 AB3C21D25 -34.58 1.62 -8.72 -0.26 0
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225260 85752958 1 NO5H25C35 AB5C25D35 -48.15 2.19 -8.44 -1.43 0