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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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433100 135173237 1 NOH23C36 ABC23D36 137.31 2.19 -8.81 -0.62 0
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433101 135173238 1 NSH23C36 ABC23D36 166.47 3.12 -8.41 -0.66 0
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433102 135173239 1 NSH27C37 ABC27D37 177.01 0.93 -8.43 -0.66 0
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433103 135173240 1 N3H31C46 A3B31C46 231.69 2.8 -8.9 -0.94 0
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433104 135173241 1 N4O4C19H28 A4B4C19D28 -177.97 4.95 -8.44 0.05 0
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433105 135173242 1 N3O4C20H29 A3B4C20D29 -180.11 4.5 -8.52 0.17 0
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433106 135173243 1 NO4C10H13 AB4C10D13 -151.96 6.28 -9.44 -0.35 0
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433107 135173244 1 SN3O3C25H25 AB3C3D25E25 10.83 8.68 -8.6 -0.43 0
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433108 135173245 5 NH7C11 AB7C11 298.93 2.36 -8.51 -1.22 0
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433109 135173246 1 N5C17H17 A5B17C17 128.22 4.85 -8.41 -0.64 0
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433110 135173247 2 N3O4C21H29 A3B4C21D29 -356.9 2.46 -8.62 -0.15 0
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433111 135173248 1 SN2O5C18H26 AB2C5D18E26 -199.37 6.5 -9.22 -0.76 0
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433112 135173249 1 NSO4C10H11 ABC4D10E11 -140.14 5.19 -9.85 -0.68 0
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433113 135173250 1 SN2O4C17H24 AB2C4D17E24 -149.18 3.71 -9.3 -0.65 0
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433114 135173251 1 BrN3O3H22C24 AB3C3D22E24 11.23 4.77 -8.5 -0.44 0
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433115 135173252 1 ClNSC8H10 ABCD8E10 49.17 3.72 -8.78 -0.42 0
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433116 135173253 1 ClNOSC11H14 ABCDE11F14 3.91 5.09 -9.27 -0.72 0
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433117 135173254 1 ClNOSC9H12 ABCDE9F12 -8.36 4.96 -9.27 -0.76 0
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433118 135173255 1 INOC26H46 ABCD26E46 -107.48 3.04 -8.24 -0.5 0
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433119 135173256 1 ClFSN3H7C8 ABCD3E7F8 18.4 2.68 -9.43 -1.43 0
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433120 135173257 1 O2N7C20H25 A2B7C20D25 42.09 5.57 -8.26 -0.45 0
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433121 135173258 1 ON4C8H10 AB4C8D10 21.99 3.46 -8.76 -0.85 0
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433122 135173259 1 O2N5C18H27 A2B5C18D27 -34.38 5.72 -8.62 -0.76 0
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433123 135173260 1 SC10H18 AB10C18 -4.93 2.14 -8.4 0.56 0
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433124 135173261 1 NOS2C10H21 ABC2D10E21 -55.23 2.28 -8.39 -0.17 0
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433125 135173262 1 ClOSN2C13H17 ABCD2E13F17 -28.88 1.77 -8.62 -0.35 0
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433126 135173263 1 S2O4N5C12H15 A2B4C5D12E15 -113.89 11.58 -9.4 -1.09 0
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433127 135173264 2 ON2C10H13 AB2C10D13 -19.32 2.68 -8.47 -0.24 0
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433128 135173265 1 NSF2O3H19C22 ABC2D3E19F22 -115.68 2.42 -8.64 -0.67 0
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433129 135173266 1 O4N7C37H41 A4B7C37D41 -93.12 6.13 -8.24 -0.7 0
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433130 135173267 1 IN3O3C18H18 AB3C3D18E18 -34.32 3.87 -9.26 -1.18 0
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433131 135173268 1 O6N8C47H52 A6B8C47D52 -147.48 4.57 -8.35 -0.84 0
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433132 135173269 1 SN2O4C23H24 AB2C4D23E24 -44.73 7.77 -9.17 -0.69 0
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433133 135173270 1 O7N9C49H55 A7B9C49D55 -181.31 5.15 -8.44 -0.85 0
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433134 135173271 1 SN2O5C24H24 AB2C5D24E24 -105.48 11.15 -9.43 -0.75 0
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433135 135173272 1 N2S2O5H28C29 A2B2C5D28E29 -55.3 10.47 -8.37 -0.69 0
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433136 135173273 1 O4N5C20H23 A4B5C20D23 -33.17 6.22 -9.15 -0.7 0
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433137 135173274 1 O3N5C24H27 A3B5C24D27 -31.47 2.15 -8.63 -0.3 0
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433138 135173275 1 O3N4C17H20 A3B4C17D20 -14.67 5.72 -8.58 -0.51 0
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433139 135173276 1 N2O5C14H22 A2B5C14D22 -237.97 6.5 -9.62 0.08 0
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433140 135173277 1 ClO2H15C17 AB2C15D17 -63.26 2.72 -8.61 -0.8 0
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433141 135173278 1 IO2N5C17H18 AB2C5D17E18 23.94 4.56 -9.25 -1.17 0
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433142 135173279 1 O2N5C18H21 A2B5C18D21 -6.58 5.41 -9.08 -1.04 0
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433143 135173280 1 FNSO4H20C22 ABCD4E20F22 -97.46 5.63 -8.39 -0.63 0
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433144 135173281 1 NO3C15H15 AB3C15D15 -49.47 3.7 -9.1 -0.46 0
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433145 135173282 1 SN2O5C20H24 AB2C5D20E24 -136.78 8.79 -9.41 -0.76 0
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433146 135173283 1 NO3F6H17C23 AB3C6D17E23 -346.07 8.16 -9.46 -1.13 0
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433147 135173284 1 SN3O5C23H23 AB3C5D23E23 -19.01 2.77 -9.21 -1.6 0
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433148 135173285 1 NC14H27 AB14C27 -13.4 1.95 -8.83 1.22 0
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433149 135173286 1 OC15H18 AB15C18 -9.09 4.12 -9.18 -0.64 0
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433150 135173287 1 OC14H18 AB14C18 -30.9 1.35 -9.23 0.3 0
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433151 135173288 1 SN2F3O5C22H25 AB2C3D5E22F25 -303.88 7.45 -9.25 -0.6 0
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433152 135173289 1 SN2O3C20H24 AB2C3D20E24 -50.7 4.68 -9.07 -0.34 -1
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433153 135173290 1 SN2O5C20H23 AB2C5D20E23 -73.49 9.61 0.0 0.0 0
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433154 135173291 1 SN2O5C20H24 AB2C5D20E24 -138.85 9.65 -8.62 -0.69 0
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433155 135173292 1 NC14H21 AB14C21 1.21 2.23 -8.6 0.59 0
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433156 135173293 1 ON2C11H14 AB2C11D14 -3.05 3.34 -8.69 0.43 0
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433157 135173294 2 ClN3H7C8 AB3C7D8 112.37 4.13 -9.25 -1.17 0
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433158 135173295 1 ON2F3C11H11 AB2C3D11E11 -158.82 4.28 -9.61 -0.5 0
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433159 135173296 1 O3N5C21H23 A3B5C21D23 -47.53 7.73 -8.63 -0.65 0
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433160 135173297 1 IOC18H37 ABC18D37 -102.16 1.71 -9.28 -2.31 0
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433161 135173298 1 NOC43H81 ABC43D81 -200.33 3.29 -9.06 0.51 0
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433162 135173299 1 FC10H19 AB10C19 -95.42 2.05 -10.6 3.21 0
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433163 135173300 2 O4C11H19 A4B11C19 -388.84 3.02 -9.57 0.32 0
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433164 135173301 1 ClNS2O3C15H16 ABC2D3E15F16 -84.61 3.92 -9.68 -0.9 0
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433165 135173302 1 N2C23H42 A2B23C42 -62.93 2.51 -8.86 0.44 0
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433166 135173303 1 NC23H49 AB23C49 -87.52 1.64 -8.48 3.23 0
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433167 135173304 1 NS2O5C18H27 AB2C5D18E27 -186.04 9.53 -9.26 -0.65 0
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433168 135173305 1 NSO4C16H23 ABC4D16E23 -173.53 8.5 -9.25 -0.75 0
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433169 135173306 1 NSO4C17H25 ABC4D17E25 -178.77 5.84 -9.22 -0.7 0
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433170 135173307 1 ClNO3C14H18 ABC3D14E18 -143.5 4.67 -9.89 -0.55 0
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433171 135173308 1 N9O16C72H83 A9B16C72D83 -545.91 5.44 -8.54 -1.69 0
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433172 135173309 1 INOC28H50 ABCD28E50 -113.45 2.26 -8.44 -0.65 0
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433173 135173310 1 ON5C25H27 AB5C25D27 84.78 4.93 -8.5 -0.55 0
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433174 135173311 1 NO3C12H19 AB3C12D19 -138.85 2.82 -9.48 0.88 0
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433175 135173312 1 NSO2C17H23 ABC2D17E23 -58.41 5.85 -8.45 -0.53 0
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433176 135173313 1 O3N5H23C24 A3B5C23D24 -9.1 2.94 -8.8 -0.75 0
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433177 135173314 1 SN2O3C23H24 AB2C3D23E24 -18.69 3.67 -8.29 -0.45 0
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433178 135173315 1 ClOSN2C12H15 ABCD2E12F15 -17.38 3.24 -8.59 -0.24 0
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433179 135173316 1 ClSO2C10H11 ABC2D10E11 -51.54 6.88 -10.33 -0.87 0
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433180 135173317 1 ClNOSC9H12 ABCDE9F12 -7.93 2.47 -8.7 -0.76 0
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433181 135173318 1 ClNSO2C7H12 ABCD2E7F12 -90.06 6.15 -9.71 -0.19 0
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433182 135173319 1 NS2O5C10H19 AB2C5D10E19 -208.96 4.34 -9.47 0.06 0
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433183 135173320 1 NS2O5C9H19 AB2C5D9E19 -233.67 2.23 -9.61 0.12 0
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433184 135173321 1 FNS2O5C16H24 ABC2D5E16F24 -264.49 4.68 -9.74 -0.66 0
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433185 135173322 1 NS2O5C10H21 AB2C5D10E21 -240.1 2.28 -9.57 0.11 0
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433186 135173323 1 SO3N7C19H23 AB3C7D19E23 -26.21 2.78 -8.7 -0.63 0
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433187 135173324 1 OS2C13H18 AB2C13D18 -26.11 2.85 -8.24 -0.6 0
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433188 135173325 1 N2O4C25H30 A2B4C25D30 -104.11 3.84 -9.19 -0.38 0
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433189 135173326 1 N2O4C25H30 A2B4C25D30 -102.86 4.34 -9.25 -0.43 0
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433190 135173327 1 NC23H27 AB23C27 79.36 1.29 -8.61 0.18 0
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433191 135173328 1 SN2O4C10H20 AB2C4D10E20 -184.53 4.93 -9.2 0.05 0
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433192 135173329 1 SN2O4C9H18 AB2C4D9E18 -178.79 3.75 -9.33 0.03 0
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433193 135173330 1 ClNSO4H20C22 ABCD4E20F22 -61.28 4.98 -8.4 -0.7 0
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433194 135173331 1 NSO3C15H15 ABC3D15E15 -57.91 4.02 -8.78 -0.65 0
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433195 135173332 1 N2O3C20H22 A2B3C20D22 -36.37 5.29 -9.15 -0.36 0
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433196 135173333 1 BrSO3C10H13 ABC3D10E13 -103.96 5.26 -10.01 -1.18 0
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433197 135173334 1 ClSN2O3C21H25 ABC2D3E21F25 -65.66 4.81 -8.57 -0.42 0
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433198 135173335 1 ClNF2C10H10 ABC2D10E10 -78.27 1.48 -8.84 -0.3 0
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433199 135173336 1 ClN3C9H10 AB3C9D10 66.72 1.77 -9.26 -0.6 0