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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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30123 840156 1 NO3C11H21 AB3C11D21 -157.07 2.97 -8.99 1.91 0
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30124 840164 1 NO2H11C12 AB2C11D12 4.41 5.12 -8.95 -0.88 0
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30125 840182 1 OS2N3H9C10 AB2C3D9E10 48.86 2.71 -9.31 -1.25 0
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30126 840186 1 O3N4C18H20 A3B4C18D20 -18.29 5.12 -8.73 0.13 0
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30127 840200 1 N2Cl3O3C11H13 A2B3C3D11E13 -103.6 3.6 -9.3 -0.78 0
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30128 840204 1 NO6C15H17 AB6C15D17 -235.15 3.4 -9.34 -1.22 0
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30129 840205 1 FNOSCl3H9C10 ABCDE3F9G10 -82.67 2.78 -9.39 -0.95 0
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30130 840207 1 FNOSCl3H9C10 ABCDE3F9G10 -83.42 0.9 -9.41 -0.92 0
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30131 840210 1 ClO3N4C12H15 AB3C4D12E15 -9.32 8.84 -9.17 -1.59 0
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30132 840211 1 FON2Cl4H9C10 ABC2D4E9F10 -98.09 3.01 -8.92 -0.81 0
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30133 840219 2 NOC5H5 ABC5D5 -62.17 3.19 -9.05 -0.29 0
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30134 840227 1 OSN2C17H18 ABC2D17E18 33.07 3.39 -8.7 -0.94 0
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30135 840228 1 N2O2C21H24 A2B2C21D24 -5.3 4.16 -8.79 -0.51 0
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30136 840245 1 SN2O3C15H18 AB2C3D15E18 -104.34 5.5 -8.52 -0.4 0
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30137 840247 1 OS2N3C14H19 AB2C3D14E19 -24.97 2.06 -8.47 -0.76 0
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30138 840250 1 SO2N3C17H19 AB2C3D17E19 -51.41 3.87 -8.58 -1.11 0
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30139 840263 1 NO2H17C18 AB2C17D18 -21.03 6.59 -9.03 -0.56 0
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30140 840271 1 ClN2O3H15C16 AB2C3D15E16 -87.79 6.66 -9.19 -0.78 0
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30141 840282 1 NO2C18H21 AB2C18D21 -61.47 2.76 -8.48 0.03 0
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30142 840283 1 NO2C18H21 AB2C18D21 -61.56 1.6 -8.56 0.08 0
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30143 840295 1 ClNO2C16H16 ABC2D16E16 -51.8 1.24 -9.03 -0.37 0
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30144 840296 1 ClNO2C16H16 ABC2D16E16 -51.42 1.12 -9.02 -0.34 0
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30145 840305 1 N2O3C12H12 A2B3C12D12 -36.49 8.21 -9.24 -0.59 0
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30146 840313 1 FOSN3H8C11 ABCD3E8F11 8.34 2.37 -9.66 -1.35 0
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30147 840319 1 NS2C8H13 AB2C8D13 16.92 2.64 -8.66 -0.45 0
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30148 840320 1 N3O3H11C13 A3B3C11D13 8.89 4.91 -9.09 -1.63 0
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30149 840322 1 ON2S2H16C17 AB2C2D16E17 39.94 3.17 -8.57 -1.22 0
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30150 840323 1 NSBr2H7C11 ABC2D7E11 90.68 2.51 -9.21 -1.32 0
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30151 840324 1 NO4C17H19 AB4C17D19 -137.98 8.6 -8.72 -0.28 0
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30152 840329 1 NCl2O2H7C9 AB2C2D7E9 17.94 5.19 -10.52 -1.49 0
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30153 840334 1 ClNSH6C11 ABCD6E11 62.05 2.35 -8.66 -1.85 0
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30154 840335 1 ClON2H9C11 ABC2D9E11 25.71 2.66 -9.3 -1.06 0
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30155 840341 1 OSN2H16C18 ABC2D16E18 32.49 2.88 -9.05 -0.84 0
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30156 840342 2 NOF3C5H6 ABC3D5E6 -414.12 6.82 -10.63 -0.4 0
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30157 840345 1 SN4H10C13 AB4C10D13 116.6 5.28 -8.85 -1.42 0
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30158 840358 1 SO2N3C17H23 AB2C3D17E23 -36.19 6.97 -8.59 -1.19 0
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30159 840379 1 N2O2C19H22 A2B2C19D22 -31.21 8.06 -8.91 -0.01 0
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30160 840383 1 BrO2N4C10H13 AB2C4D10E13 -76.84 4.24 -9.25 -0.97 0
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30161 840400 1 SN4O4C11H14 AB4C4D11E14 -148.86 4.1 -9.37 -1.23 0
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30162 840403 1 SO2N4C9H12 AB2C4D9E12 -65.69 2.44 -8.51 -1.0 0
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30163 840405 1 ClON2S2H7C10 ABC2D2E7F10 56.62 5.27 -8.95 -1.27 0
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30164 840408 2 NO2H4C5 AB2C4D5 -53.66 3.17 -10.82 -2.35 0
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30165 840411 1 N2O6H8C11 A2B6C8D11 -129.85 7.0 -11.07 -2.27 0
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30166 840415 1 ClNO4H8C11 ABC4D8E11 -142.78 6.77 -10.53 -2.14 0
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30167 840418 2 NO3H5C6 AB3C5D6 -134.61 7.33 -10.71 -2.44 0
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30168 840419 2 NO3H5C6 AB3C5D6 -134.51 7.98 -10.72 -2.44 0
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30169 840426 2 NO3C5H5 AB3C5D5 -95.3 6.63 -9.43 -1.31 0
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30170 840427 2 NOC6H10 ABC6D10 -102.44 2.08 -8.49 0.79 0
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30171 840428 1 ClSN2O2C15H15 ABC2D2E15F15 -19.0 4.17 -9.13 -0.68 0
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30172 840429 1 FSCl2N2O2H9C13 ABC2D2E2F9G13 -58.82 4.42 -9.43 -0.99 0
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30173 840430 1 OSN3H15C16 ABC3D15E16 46.66 4.37 -8.59 -0.68 0
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30174 840437 2 ON2H4C6 AB2C4D6 60.06 9.15 -9.96 -1.67 0
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30175 840446 1 SN2O2C16H18 AB2C2D16E18 -18.95 5.34 -8.96 -0.52 0
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30176 840447 1 ClOSN2C10H11 ABCD2E10F11 -20.35 2.88 -8.94 -0.93 0
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30177 840451 1 N4O4C15H20 A4B4C15D20 -62.2 1.31 -9.43 -1.17 0
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30178 840452 1 ClN2O4H13C15 AB2C4D13E15 -88.07 7.28 -8.51 -1.03 0
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30179 840457 2 NC6H9 AB6C9 -0.05 3.24 -8.38 0.57 0
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30180 840491 1 ClSN2O2C16H17 ABC2D2E16F17 -29.12 5.67 -8.78 -0.93 1
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30181 840505 1 INOC6H7 ABCD6E7 3.2 6.93 0.0 0.0 0
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30182 840511 1 ON3C19H23 AB3C19D23 43.98 2.1 -8.1 0.01 0
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30183 840514 1 N3O3H15C20 A3B3C15D20 16.76 3.7 -9.25 -0.77 0
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30184 840526 1 Cl3N3O3H8C11 A3B3C3D8E11 -73.03 2.36 -10.15 -1.19 0
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30185 840529 1 N2O5C18H20 A2B5C18D20 -110.05 1.28 -8.37 -0.36 0
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30186 840530 1 ON4C5H6 AB4C5D6 -1.53 1.91 -9.75 -0.89 0
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30187 840531 1 OSN2C19H20 ABC2D19E20 11.67 6.22 -8.87 -0.76 0
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30188 840532 1 ON2C19H20 AB2C19D20 30.01 3.21 -9.09 -0.5 0
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30189 840536 1 OSN2C9H12 ABC2D9E12 18.16 0.7 -8.53 -0.51 0
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30190 840549 1 ON2C12H18 AB2C12D18 11.32 3.54 -9.18 0.34 0
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30191 840558 1 N2O2C9H14 A2B2C9D14 -54.99 2.23 -9.51 0.31 0
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30192 840561 1 N2O2C19H22 A2B2C19D22 -72.58 1.52 -8.89 0.01 0
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30193 840563 1 BrOC12H13 ABC12D13 13.65 1.74 -9.59 -0.28 0
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30194 840564 1 Cl2N2O3H10C14 A2B2C3D10E14 -58.56 6.06 -8.7 -1.34 0
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30195 840575 1 SO3N4C16H18 AB3C4D16E18 24.67 9.99 -8.91 -1.74 0
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30196 840636 2 NO2C6H8 AB2C6D8 -107.69 5.77 -8.04 -0.44 1
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30197 840639 1 NOSC11H14 ABCD11E14 -32.98 4.28 0.0 0.0 0
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30198 840650 1 N2O3H18C20 A2B3C18D20 -10.5 5.19 -8.39 -0.86 0
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30199 840665 1 OCl2N2C16H18 AB2C2D16E18 -12.43 4.58 -9.24 -1.02 0
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30200 840676 1 O4N5H9C11 A4B5C9D11 66.35 5.51 -9.92 -1.84 0
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30201 840693 1 O2N3C16H19 A2B3C16D19 -14.33 3.85 -8.31 -0.66 0
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30202 840694 1 NO2C12H19 AB2C12D19 -72.68 2.65 -8.21 0.32 0
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30203 840703 1 ClON2C16H21 ABC2D16E21 -32.98 1.46 -9.09 -0.54 1
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30204 840704 1 NS2C12H12 AB2C12D12 39.51 6.01 0.0 0.0 0
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30205 840710 2 NOC8H10 ABC8D10 -33.05 6.0 -9.01 -0.16 0
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30206 840711 1 N2O4C19H22 A2B4C19D22 -83.85 4.77 -8.34 -0.26 0
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30207 840714 1 N2O3C19H20 A2B3C19D20 -28.02 3.54 -8.74 -0.5 0
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30208 840741 1 ClNSO2H6C9 ABCD2E6F9 -10.54 1.83 -9.77 -1.92 0
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30209 840743 1 N3O4C12H13 A3B4C12D13 -66.43 1.99 -9.12 -1.1 0
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30210 840744 1 ClSO2N3C16H16 ABC2D3E16F16 -61.17 4.35 -9.15 -0.72 0
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30211 840746 1 O2N3C10H11 A2B3C10D11 -7.78 5.28 -9.47 -1.14 0
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30212 840748 2 ClNOH6C7 ABCD6E7 -28.51 2.7 -9.13 -0.64 0
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30213 840758 1 NO4C16H19 AB4C16D19 -114.43 5.99 -8.65 -0.65 0
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30214 840764 1 N3O6H13C16 A3B6C13D16 -85.32 5.08 -9.34 -1.57 0
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30215 840769 1 ClFN2O4H10C14 ABC2D4E10F14 -89.58 10.11 -9.48 -1.46 0
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30216 840791 1 O4C15H18 A4B15C18 -144.18 4.63 -8.91 -0.66 0
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30217 840792 1 O4C15H18 A4B15C18 -144.6 3.85 -8.82 -0.71 0
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30218 840799 2 ClNOH6C7 ABCD6E7 -29.38 3.6 -9.27 -0.7 0
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30219 840800 1 N3O4C18H21 A3B4C18D21 -101.88 1.11 -8.05 -0.77 0
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30220 840803 1 O2N4C15H18 A2B4C15D18 18.08 4.43 -9.13 -0.83 0
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30221 840804 1 O2N3C11H11 A2B3C11D11 -35.4 2.61 -9.21 -0.8 0
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30222 840816 1 N3O3C19H23 A3B3C19D23 -60.15 3.07 -7.96 -0.5 0