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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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4257 11056 2 O2H6C9 A2B6C9 -65.11 2.82 -9.14 -2.06 0
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4258 11059 1 NO2C20H23 AB2C20D23 -46.98 1.34 -8.8 -0.49 0
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4259 11061 1 NOSC20H25 ABCD20E25 -4.68 2.0 -8.74 -0.06 0
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4260 11062 2 O3H6C8 A3B6C8 -169.03 5.66 -8.71 -1.46 0
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4261 11067 1 SK2N2H4O8C10 AB2C2D4E8F10 -239.1 13.73 -9.11 -1.23 0
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4262 11069 1 SN2O6C20H26 AB2C6D20E26 -199.74 6.73 -8.62 -1.09 0
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4263 11070 1 ClNO4C12H18 ABC4D12E18 -179.83 6.77 -8.68 0.05 0
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4265 11073 1 N2O2C17H22 A2B2C17D22 -59.38 4.51 -8.49 -0.71 0
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4266 11074 1 NO2H7C9 AB2C7D9 -44.93 2.95 -10.24 -1.4 0
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4267 11080 1 NSH7C11 ABC7D11 79.99 4.25 -8.76 -1.24 0
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4268 11081 1 O5C20H34 A5B20C34 -260.23 4.99 -9.74 0.6 0
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4269 11085 1 OCl3H5C7 AB3C5D7 -55.35 2.05 -9.2 -0.76 0
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4270 11086 1 NOC8H9 ABC8D9 -20.29 3.35 -8.84 -0.2 0
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4271 11087 1 NO4H5C7 AB4C5D7 -58.54 7.06 -11.13 -1.94 0
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4272 11090 1 N2O3C8H8 A2B3C8D8 -36.46 2.13 -9.61 -1.46 0
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4273 11091 1 LiO3H5C7 AB3C5D7 -149.26 5.25 -8.84 -0.12 0
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4274 11092 1 O3C9H10 A3B9C10 -114.74 3.04 -9.31 -0.55 0
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4275 11093 1 ClC8H9 AB8C9 -0.04 2.0 -9.39 -0.09 0
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4277 11095 3 O2H4C5 A2B4C5 -208.49 3.62 -9.09 -0.5 0
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4278 11097 2 OC8H8 AB8C8 -46.3 0.03 -8.86 0.11 0
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4279 11099 1 NO2C9H13 AB2C9D13 -75.9 3.15 -9.05 -0.11 0
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4280 11101 1 NO3H5C7 AB3C5D7 -4.62 4.85 -10.57 -1.9 0
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4281 11105 1 ClN4C15H17 AB4C15D17 38.11 2.62 -8.26 -1.21 0
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4282 11106 1 N4C15H16 A4B15C16 72.37 0.37 -8.16 -1.06 0
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4283 11110 1 NO2C12H16 AB2C12D16 -46.42 3.29 0.0 0.0 1
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4284 11112 1 ON3C6H7 AB3C6D7 12.37 3.52 -10.32 -0.94 0
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4285 11113 1 LiO2H5C7 AB2C5D7 -96.16 3.68 -9.56 0.01 0
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4286 11114 1 ClN2O2C13H21 AB2C2D13E21 -118.09 3.05 -8.86 -0.64 0
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4287 11116 1 ClN2O2C13H21 AB2C2D13E21 -117.59 3.1 -8.89 -0.3 0
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4288 11118 1 N2O3C9H12 A2B3C9D12 -34.58 7.88 -8.83 -1.13 0
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4289 11120 2 C2O2H3 A2B2C3 -157.11 2.55 -11.02 -0.37 0
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4290 11127 1 I3O3H9C10 A3B3C9D10 -56.21 4.33 -9.72 -1.77 0
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4291 11130 1 ClNC6H16 ABC6D16 -55.86 1.56 -8.7 1.96 0
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4292 11134 1 SN3O3H15C18 AB3C3D15E18 -3.74 8.89 -8.6 -1.45 0
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4293 11136 1 ClHgSO3H5C6 ABCD3E5F6 -34.31 2.4 -8.86 -2.6 0
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4294 11137 1 NO3H5C6 AB3C5D6 -24.89 3.93 -9.93 -1.55 0
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4295 11138 3 H2O2C3 A2B2C3 -217.59 1.52 -11.65 -2.02 0
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4296 11142 2 C5H8 A5B8 -2.04 1.35 -9.03 0.52 0
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4297 11145 1 OCl2N2C12H16 AB2C2D12E16 -53.49 7.12 -8.87 -0.38 0
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4298 11146 1 O6C57H110 A6B57C110 -472.25 2.2 -9.43 0.56 0
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4299 11147 1 O6C51H98 A6B51C98 -485.45 1.72 -10.41 0.53 0
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4300 11153 1 AlO3C6H15 AB3C6D15 -157.24 5.6 -9.05 0.04 0
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4301 11157 1 N2C7H10 A2B7C10 41.26 2.09 -9.01 0.2 0
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4302 11160 2 OC3H6 AB3C6 -113.05 2.0 -10.87 0.85 0
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4303 11164 1 O2C3H6 A2B3C6 -58.33 1.67 -10.42 1.56 0
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4304 11167 1 NSC2H3 ABC2D3 34.74 4.54 -8.99 -0.14 0
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4305 11170 8 OSiC2H6 ABC2D6 -1020.38 0.09 -9.43 1.44 0
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4306 11172 9 OSiC2H6 ABC2D6 -1146.8 0.21 -9.35 1.43 0
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4307 11175 1 OSN2C3H4 ABC2D3E4 -16.41 5.48 -9.82 -0.84 0
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4311 11183 1 MgC4H10 AB4C10 8.76 0.15 -7.39 -1.98 0
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4312 11184 1 NiC2N2 AB2C2 121.81 6.31 -9.94 -1.84 0
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4313 11186 1 ZnC2N2 AB2C2 90.41 0.01 -11.53 -0.69 0
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4314 11188 1 O4C7H14 A4B7C14 -200.97 3.11 -10.37 0.43 0
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4315 11190 2 CNOH2 ABCD2 19.97 3.75 -9.14 -1.22 0
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4316 11191 1 OC5H10 AB5C10 -35.32 1.73 -9.68 1.12 0
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4317 11192 1 ZnC4O4H6 AB4C4D6 -200.65 0.14 -11.48 -0.73 0
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4318 11193 1 IC8H17 AB8C17 -31.05 2.68 -9.58 -0.65 0
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4319 11199 1 OC2H4 AB2C4 -33.24 0.82 -9.78 0.97 0
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4321 11202 1 BrC3H5 AB3C5 5.12 1.91 -10.04 0.01 0
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4322 11203 1 ClC3H5 AB3C5 -7.34 1.94 -10.0 0.68 0
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4323 11205 1 CBr4 AB4 23.07 0.0 -10.93 -2.03 0
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4324 11207 1 CFSO2H3 ABCD2E3 -138.18 5.03 -12.09 0.04 0
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4325 11208 1 OC4H8 AB4C8 -29.05 2.62 -10.08 2.22 0
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4326 11209 1 NPC4F6H12 ABC4D6E12 -464.52 18.57 -11.78 -0.95 0
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4327 11210 6 CH2 AB2 -10.32 0.5 -10.05 1.35 0
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4328 11211 1 O2H5C10F13 A2B5C10D13 -714.69 3.04 -11.54 -0.77 0
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4329 11215 2 C4H9 A4B9 -45.02 0.06 -10.53 4.12 0
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4330 11216 8 CH2 AB2 -21.99 0.89 -9.56 1.55 0
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4331 11217 1 NO12C39H61 AB12C39D61 -622.49 1.94 -8.96 0.45 0
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4332 11219 1 O6C23H34 A6B23C34 -292.67 7.3 -10.12 -0.5 0
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4333 11220 1 BrCN3O6 ABC3D6 -2.11 2.27 -12.07 -2.9 0
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4334 11224 1 N2O5C21H28 A2B5C21D28 -183.32 9.53 -9.14 -0.68 0
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4335 11227 1 NP2O5C9H23 AB2C5D9E23 -340.75 5.48 -9.22 0.6 0
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4336 11229 1 C7H16 A7B16 -41.11 0.01 -10.75 4.18 0
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4337 11231 1 N2O3C10H14 A2B3C10D14 -102.11 4.14 -10.74 -0.22 0
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4338 11234 1 NPO6C8H20 ABC6D8E20 -331.45 12.24 -9.52 -0.34 0
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4339 11236 1 CClON3H6 ABCD3E6 -65.63 6.29 -10.6 0.12 0
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4340 11239 5 CH2 AB2 -4.64 0.55 -10.1 1.3 0
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4341 11241 1 ClC4H7 AB4C7 -10.22 1.85 -10.14 0.32 0
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4342 11250 6 CH2 AB2 -19.59 0.06 -8.69 1.77 0
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4343 11251 1 OC5H10 AB5C10 -62.55 3.63 -9.93 0.74 0
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4344 11252 1 ClOC4H9 ABC4D9 -81.69 1.68 -10.48 0.66 0
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4345 11253 1 BrNC2O2H4 ABC2D2E4 -24.62 4.08 -11.14 -1.55 0
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4346 11256 2 NO4C11H12 AB4C11D12 -308.64 4.92 -8.97 -1.05 0
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4347 11258 1 FS2C10H11 AB2C10D11 -30.44 2.13 -9.03 -0.26 0
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4348 11261 1 OC6H14 AB6C14 -80.44 2.06 -10.24 3.01 0
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4349 11264 1 OC6H14 AB6C14 -80.21 1.95 -10.18 2.89 0
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4350 11268 1 BrO2C5H9 AB2C5D9 -105.84 4.02 -10.98 -1.07 0
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4351 11269 2 C4H9 A4B9 -44.99 0.05 -10.63 4.09 0
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4352 11271 1 OC7H14 AB7C14 -70.22 2.9 -9.61 0.78 0
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4353 11272 1 O4C21H32 A4B21C32 -215.58 5.68 -9.71 -0.18 0
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4354 11274 1 O3C20H32 A3B20C32 -186.39 4.81 -10.07 0.4 0
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4355 11275 2 OC10H16 AB10C16 -128.95 3.46 -9.44 1.1 0
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4356 11276 1 O4C23H34 A4B23C34 -216.78 2.94 -9.38 0.31 0
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4357 11281 1 NO3C19H21 AB3C19D21 -73.83 2.61 -7.95 -0.21 0
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4358 11282 1 ClNO3C26H30 ABC3D26E30 -73.15 2.31 -8.22 0.12 0
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4359 11284 1 OH16C20 AB16C20 27.28 1.9 -8.18 -0.85 0
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4360 11285 1 OH16C20 AB16C20 24.08 2.64 -8.31 -0.97 0
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4361 11286 1 O3N4C9H12 A3B4C9D12 -86.46 4.53 -8.91 -0.4 0
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4362 11287 12 CH AB 25.9 1.49 -8.44 -0.17 0