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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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32126 4266208 1 BrNO4H18C19 ABC4D18E19 -112.68 3.49 -8.8 -0.8 0
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32127 4266220 1 N3O5C20H23 A3B5C20D23 -143.64 5.74 -9.41 -0.48 0
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32128 4266322 1 ClO5H15C19 AB5C15D19 -157.18 4.63 -8.72 -1.28 0
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32129 4266323 1 SF2N3O3H15C17 AB2C3D3E15F17 -152.03 2.88 -8.6 -0.75 0
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32130 4266324 1 ClSF3N3O5H17C19 ABC3D3E5F17G19 -244.21 5.73 -9.52 -1.82 0
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32131 4266326 1 ClSN4O5H19C21 ABC4D5E19F21 -119.01 8.53 -8.58 -1.3 0
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32132 4266327 1 ClS2O4N5H20C25 AB2C4D5E20F25 31.41 5.52 -9.28 -1.93 0
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32133 4266328 1 ClFOSN3H17C22 ABCDE3F17G22 32.92 2.38 -8.79 -0.77 0
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32134 4266335 1 ClN3O3C11H12 AB3C3D11E12 -100.33 3.27 -9.44 -0.93 0
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32135 4266337 1 SO3N5H17C21 AB3C5D17E21 3.13 7.47 -8.41 -1.32 0
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32136 4266338 2 N3H8C11 A3B8C11 174.89 10.08 -8.85 -1.34 0
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32137 4266339 1 ClSN3O3H20C27 ABC3D3E20F27 -3.64 5.4 -8.69 -1.37 0
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32138 4266340 1 N2O2C29H30 A2B2C29D30 -1.71 5.6 -8.98 -0.85 0
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32139 4266341 1 ClNO3H22C27 ABC3D22E27 -48.13 2.95 -9.08 -1.12 0
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32140 4266347 2 NSO2C10H13 ABC2D10E13 -140.83 5.15 -8.57 -0.35 0
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32141 4266348 1 N3O5H13C14 A3B5C13D14 -23.83 7.65 -9.28 -1.19 0
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32142 4266362 1 NSO5H21C27 ABC5D21E27 -82.49 5.26 -9.08 -1.44 0
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32143 4266376 1 N3O9C45H61 A3B9C45D61 -311.24 4.57 -8.65 -0.16 0
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32144 4266377 1 ClN3O8C39H58 AB3C8D39E58 -292.16 5.24 -8.41 0.04 0
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32145 4266378 1 ClSN2O8C43H59 ABC2D8E43F59 -295.51 6.27 -8.72 -0.35 0
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32146 4266383 1 N2S2O3C29H32 A2B2C3D29E32 -54.67 6.1 -8.53 -0.89 0
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32147 4266384 1 N2S2O3C20H26 A2B2C3D20E26 -71.72 6.25 -9.24 -0.27 0
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32148 4266385 1 ClN3O6C23H26 AB3C6D23E26 -216.89 4.76 -9.21 -0.28 0
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32149 4266386 1 FSN2O2C27H29 ABC2D2E27F29 -57.67 3.05 -9.22 -0.31 0
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32150 4266387 1 N3O5C30H39 A3B5C30D39 -156.85 7.65 -8.5 0.01 0
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32151 4266392 1 N3O3C25H29 A3B3C25D29 -58.71 6.28 -8.85 -0.79 0
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32152 4266393 1 SO2N5C35H49 AB2C5D35E49 -59.53 4.63 -8.8 -0.39 0
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32153 4266408 1 ClOF3N7C22H23 ABC3D7E22F23 -109.04 4.8 -8.56 -0.76 0
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32154 4266412 1 O4N7C26H37 A4B7C26D37 -55.97 4.11 -9.36 -1.55 0
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32155 4266413 3 OC6H6 AB6C6 -92.43 6.01 -8.8 -0.88 0
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32156 4266414 1 SO2Cl3N4H33C35 AB2C3D4E33F35 23.43 4.62 -8.19 -0.68 -1
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32157 4266415 1 NSO5H8C10 ABC5D8E10 -117.7 9.68 0.0 0.0 0
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32158 4266416 1 NSO5H9C10 ABC5D9E10 -186.13 8.39 -10.05 -1.0 0
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32159 4266417 1 SN3O3H27C29 AB3C3D27E29 -9.06 8.17 -8.27 -1.05 0
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32160 6435730 1 ClNO4C22H26 ABC4D22E26 -123.23 2.78 -9.16 -0.67 0
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32161 6435732 1 NO7C25H29 AB7C25D29 -223.72 16.08 -9.27 -1.19 0
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32162 6435736 1 NO3C23H29 AB3C23D29 -62.6 2.0 -8.63 -0.29 0
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32163 6435737 1 NO10C30H37 AB10C30D37 -370.85 32.41 -8.71 -1.47 0
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32164 6435738 1 NO3C24H29 AB3C24D29 -59.43 5.68 -8.65 -0.18 0
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32165 6435739 1 N2O11C32H38 A2B11C32D38 -370.16 7.74 -8.6 -1.39 0
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32166 6435740 1 N2O3C24H30 A2B3C24D30 -44.94 6.9 -8.66 -0.14 0
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32167 6435741 1 ClNO10C28H34 ABC10D28E34 -405.82 6.0 -8.88 -0.94 0
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32168 6435742 1 ClNO3C22H26 ABC3D22E26 -69.83 2.36 -8.57 -0.62 0
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32169 6435743 1 ClNO9C28H36 ABC9D28E36 -342.41 6.41 -8.64 -0.98 0
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32170 6435744 1 ClNO3C24H30 ABC3D24E30 -78.35 3.64 -8.54 -0.59 0
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32171 6435745 1 NCl2O3C23H27 AB2C3D23E27 -72.02 9.03 -9.06 -1.34 0
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32172 6435749 1 NOS3C22H27 ABC3D22E27 22.53 5.06 -8.54 -0.74 0
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32173 6435750 1 NO2S2C18H19 AB2C2D18E19 9.56 6.0 -8.55 -0.99 0
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32174 6435751 1 O7H14C17 A7B14C17 -233.08 4.77 -8.82 -1.12 0
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32175 6435752 1 N2O7C30H40 A2B7C30D40 -282.62 2.48 -8.0 -1.53 0
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32176 6435754 2 SN3O3H6C8 AB3C3D6E8 -47.85 6.03 -9.52 -1.77 0
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32177 6435756 1 NO12C44H69 AB12C44D69 -552.54 0.87 -9.53 -0.92 0
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32178 6435767 1 O2C17H22 A2B17C22 19.7 1.77 -8.94 -0.67 0
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32179 6435769 1 ClN2O2H13C17 AB2C2D13E17 -22.14 2.15 -9.4 -0.9 0
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32180 6435771 1 ClN2O2H13C17 AB2C2D13E17 -27.52 5.0 -9.15 -1.19 0
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32181 6435774 1 ClN2O2H13C17 AB2C2D13E17 -28.38 5.34 -9.36 -1.16 0
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32182 6435783 1 O3C27H40 A3B27C40 -120.9 1.72 -8.65 0.19 0
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32183 6435784 2 O3N4H8C9 A3B4C8D9 -27.01 3.53 -9.11 -1.9 0
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32184 6435791 1 SN3O7C11H11 AB3C7D11E11 -136.46 2.68 -10.0 -2.17 0
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32185 6435792 1 SN2O6C12H14 AB2C6D12E14 -179.07 6.6 -9.57 -1.15 0
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32186 6435794 1 S2N3O7C11H13 A2B3C7D11E13 -207.45 2.97 -10.26 -1.54 0
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32187 6435795 1 SN2O5C11H12 AB2C5D11E12 -144.68 5.46 -10.01 -1.41 0
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32188 6435801 1 PN2O5C8H15 AB2C5D8E15 -245.33 4.87 -9.6 -0.05 2
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32189 6435803 2 NOC12H18 ABC12D18 116.51 1.82 -2.09 -1.02 0
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32190 6435806 1 ClN2O6C23H29 AB2C6D23E29 -254.7 11.46 -8.81 -1.98 0
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32191 6435808 1 FN3O4C10H12 AB3C4D10E12 -178.4 5.33 -9.74 -0.52 0
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32192 6435810 1 O3C30H46 A3B30C46 -146.14 1.12 -8.6 0.2 0
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32193 6435811 1 ClON2C8H15 ABC2D8E15 -24.52 3.14 -8.9 -0.07 0
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32194 6435812 1 ON2C8H14 AB2C8D14 10.16 1.11 -8.72 0.21 0
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32195 6435845 1 ClN4O6C13H17 AB4C6D13E17 -136.97 9.36 -9.97 -2.28 0
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32196 6435861 2 OC6H11 AB6C11 -119.0 2.02 -10.59 -0.1 0
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32197 6435862 1 O2N3C22H45 A2B3C22D45 -129.87 5.15 -9.04 0.57 0
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32198 6435863 1 O5C21H42 A5B21C42 -293.17 4.92 -9.6 0.69 0
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32199 6435867 1 SO6C22H42 AB6C22D42 -326.94 1.35 -9.52 -0.77 0
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32200 6435873 1 NCl2O2C28H47 AB2C2D28E47 -141.91 2.63 -8.59 -0.67 0
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32202 6435903 2 OC6H11 AB6C11 -117.06 1.62 -9.44 0.84 0
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32203 6435906 1 SNa2O6C18H32 AB2C6D18E32 -428.21 16.23 -8.68 0.29 0
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32204 6435912 4 O2C15H27 A2B15C27 -523.11 0.65 -9.4 0.31 0
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32205 6435917 4 OC4H7 AB4C7 -224.82 5.33 -9.65 -0.32 0
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32206 6435920 2 OC7H12 AB7C12 -115.35 4.7 -10.18 0.58 0
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32207 6435924 1 SN4O10C24H28 AB4C10D24E28 -354.85 7.36 -9.14 -0.84 0
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32208 6435932 1 O2N3H19C23 A2B3C19D23 44.36 3.89 -8.73 -1.01 0
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32209 6435934 1 N2O2H14C17 A2B2C14D17 7.96 6.21 -8.71 -1.18 0
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32210 6435936 1 IN3O3H16C23 AB3C3D16E23 38.39 3.42 -8.91 -1.38 0
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32211 6435938 1 OSN6H18C21 ABC6D18E21 127.23 4.12 -9.26 -1.45 0
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32212 6435940 1 IO2N4H17C21 AB2C4D17E21 53.33 2.67 -9.27 -1.32 0
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32213 6435942 1 ClSN4O5C25H27 ABC4D5E25F27 -152.53 6.67 -8.48 -1.49 0
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32214 6435944 1 Cl2N2O3H18C24 A2B2C3D18E24 -44.8 2.32 -8.84 -1.37 0
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32215 6435946 1 OSN5H23C31 ABC5D23E31 152.13 5.03 -8.23 -1.56 0
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32216 6435948 2 N2O2H8C11 A2B2C8D11 36.19 6.13 -8.89 -1.83 0
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32217 6435953 1 O3N4H14C21 A3B4C14D21 77.69 5.2 -9.36 -1.9 0
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32218 6435956 1 ClON3H22C31 ABC3D22E31 86.61 5.24 -8.58 -0.96 0
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32219 6435958 1 BrOCl2N3H18C30 ABC2D3E18F30 89.73 6.69 -8.76 -1.24 0
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32220 6435964 1 IN4O4H21C23 AB4C4D21E23 -22.51 4.01 -8.4 -1.24 0
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32221 6435975 1 BrClON3H19C30 ABCD3E19F30 99.87 7.23 -8.68 -1.22 0
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32222 6435979 1 BrN4O4H17C23 AB4C4D17E23 41.23 7.18 -9.07 -1.51 0
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32223 6435981 1 N2O3H20C24 A2B3C20D24 -32.98 2.78 -8.46 -0.88 0
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32224 6435983 2 N2O2H10C11 A2B2C10D11 -36.08 3.46 -8.37 -1.24 0
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32225 6435989 1 BrON3H20C30 ABC3D20E30 109.38 7.72 -8.57 -1.1 0
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32226 6435993 1 Cl2N4C9H16 A2B4C9D16 22.78 8.21 -8.68 -0.45 2