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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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28323 827037 1 SN3C20H21 AB3C20D21 86.42 4.75 -8.4 -0.83 1
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28324 827040 1 ON2C15H17 AB2C15D17 -3.79 5.78 0.0 0.0 0
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28325 827041 1 NOSH11C14 ABCD11E14 13.33 2.56 -8.4 -0.76 0
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28326 827042 1 SO3H14C16 AB3C14D16 -61.43 1.97 -8.56 -0.73 0
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28327 827045 1 ClOSH9C14 ABCD9E14 7.45 3.35 -9.01 -0.92 0
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28328 827046 1 SO2H10C14 AB2C10D14 -28.47 1.36 -8.72 -0.96 0
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28329 827049 1 NSO2H13C16 ABC2D13E16 -33.96 5.73 -8.76 -0.64 0
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28330 827057 1 ClSO2H7C14 ABC2D7E14 -6.79 4.46 -9.22 -1.44 0
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28331 827060 1 NSO2H15C16 ABC2D15E16 -48.67 2.83 -8.41 -0.27 0
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28332 827065 1 NSC15H15 ABC15D15 46.87 1.54 -8.43 -0.11 0
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28333 827072 1 OSN3C11H13 ABC3D11E13 0.78 4.9 -8.83 -0.49 0
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28334 827074 1 SN2C21H26 AB2C21D26 48.4 3.15 -8.56 -0.01 1
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28335 827075 1 SN2C21H27 AB2C21D27 80.45 2.69 0.0 0.0 0
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28336 827081 1 OS2H10C12 AB2C10D12 12.18 0.88 -8.55 -0.49 0
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28337 827083 1 NOS2C17H21 ABC2D17E21 2.27 5.64 -8.24 -0.11 0
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28338 827088 1 SN2O2H14C15 AB2C2D14E15 -8.89 4.79 -8.69 -1.43 0
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28339 827091 1 NSO2C20H23 ABC2D20E23 -31.82 2.6 -8.41 -0.78 0
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28340 827111 1 ClSN3H10C13 ABC3D10E13 79.89 3.5 -8.9 -0.97 0
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28341 827113 1 ClSO3H11C15 ABC3D11E15 -84.56 4.13 -9.05 -1.32 0
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28342 827123 1 SO2F3H11C15 AB2C3D11E15 -202.14 4.91 -9.46 -1.16 0
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28343 827127 1 NOSC13H13 ABCD13E13 -0.63 2.45 -8.52 -0.3 0
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28344 827128 1 ClNO4H6C8 ABC4D6E8 -79.52 6.3 -10.72 -1.96 1
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28345 827129 1 BrNH13C14 ABC13D14 65.82 5.75 0.0 0.0 0
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28346 827131 1 O2N3H11C14 A2B3C11D14 70.48 9.27 -9.75 -1.26 0
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28347 827132 1 OSN2C19H22 ABC2D19E22 3.41 3.37 -8.61 -0.38 0
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28348 827134 1 SN2O2C19H22 AB2C2D19E22 -37.22 4.56 -8.65 -0.67 0
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28349 827140 1 N2O2C21H28 A2B2C21D28 -24.73 4.94 -8.27 0.26 0
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28350 827146 1 NSC16H19 ABC16D19 43.42 2.79 -8.44 -0.3 0
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28351 827163 1 ClFOSH8C13 ABCDE8F13 -41.49 1.39 -8.77 -0.84 0
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28352 827165 1 NOSC21H25 ABCD21E25 -5.98 2.84 -8.36 -0.26 0
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28353 827171 1 ClN2C19H23 AB2C19D23 25.2 1.8 -8.41 0.33 0
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28354 827173 1 NO2C15H17 AB2C15D17 -50.4 3.62 -8.93 0.15 0
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28355 827176 1 NOC11H17 ABC11D17 -34.71 2.3 -8.51 0.14 0
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28356 827179 1 NOSH13C15 ABCD13E15 6.63 4.12 -8.36 -0.22 0
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28357 827183 1 NO3C11H11 AB3C11D11 -38.68 3.13 -8.85 -0.17 0
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28358 827188 1 ClSN2C18H19 ABC2D18E19 63.28 3.38 -8.87 -0.67 0
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28359 827189 1 ON2C19H26 AB2C19D26 -53.04 4.03 -8.74 0.39 0
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28360 827201 1 N2C15H22 A2B15C22 10.96 2.08 -8.07 0.52 0
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28361 827202 1 FSN2C19H21 ABC2D19E21 6.74 2.94 -8.61 -0.46 0
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28362 827203 1 N2O3C14H16 A2B3C14D16 -104.33 9.4 -8.74 -1.05 0
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28363 827204 1 FSN2C19H21 ABC2D19E21 7.04 2.85 -8.15 -0.27 0
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28364 827205 1 FSN2C19H21 ABC2D19E21 6.65 2.22 -8.61 -0.46 0
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28365 827206 1 N2O5C11H14 A2B5C11D14 -95.44 2.65 -9.67 -1.86 0
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28366 827208 1 ON2C19H30 AB2C19D30 -49.32 3.05 -7.88 0.61 0
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28367 827209 1 ON2C19H30 AB2C19D30 -49.45 2.67 -8.12 0.43 0
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28368 827228 1 ClNSO2H16C17 ABCD2E16F17 -58.66 1.14 -8.83 -0.66 0
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28369 827232 1 ON2C19H26 AB2C19D26 -49.99 3.08 -8.6 0.36 0
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28370 827233 1 ON2C20H28 AB2C20D28 -57.48 2.43 -8.6 0.37 0
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28371 827235 1 ON2C19H28 AB2C19D28 -56.67 3.8 -8.51 0.46 0
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28372 827238 1 NO2C18H23 AB2C18D23 -32.19 1.71 -8.29 0.26 0
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28373 827243 1 NO2C13H21 AB2C13D21 -69.75 1.26 -8.49 0.23 0
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28374 827253 1 ON2C20H30 AB2C20D30 -37.4 3.82 -8.22 -0.38 0
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28375 827257 1 ClFNSH17C18 ABCDE17F18 -0.45 2.26 -8.46 -0.68 0
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28376 827273 1 SN2C21H26 AB2C21D26 44.35 3.77 -7.94 0.0 0
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28377 827276 1 NSO2C20H23 ABC2D20E23 -37.11 3.48 -8.3 -0.26 0
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28378 827283 1 SN2C19H22 AB2C19D22 53.4 0.91 -7.86 -0.01 0
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28379 827288 1 ClNSC19H20 ABCD19E20 26.2 1.26 -8.56 -0.54 0
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28380 827297 1 ClNS2C18H20 ABC2D18E20 35.23 1.29 -8.56 -0.41 0
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28381 827298 1 O2N3C15H23 A2B3C15D23 -69.4 4.83 -8.35 -0.4 0
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28382 827312 1 ClNOSC19H22 ABCDE19F22 -13.08 4.61 -8.77 -0.48 1
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28383 827325 1 NS2C19H24 AB2C19D24 78.03 2.34 0.0 0.0 0
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28384 827326 2 ON3C5H5 AB3C5D5 81.77 7.21 -9.34 -0.88 0
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28385 827328 1 NSO2C18H19 ABC2D18E19 -29.03 4.29 -8.82 -0.61 0
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28386 827331 1 NOSC14H21 ABCD14E21 -32.18 2.6 -8.67 0.4 0
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28387 827341 1 ClNOSC14H20 ABCDE14F20 -45.28 3.53 -8.68 -0.09 0
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28388 827345 1 NOSF3C15H20 ABCD3E15F20 -196.34 1.96 -8.84 -0.68 0
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28389 827346 1 N3O3H11C12 A3B3C11D12 13.06 5.82 -10.1 -1.75 0
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28390 827349 1 NOSC11H15 ABCD11E15 -44.63 4.41 -8.69 -0.32 0
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28391 827351 1 NSO2C20H21 ABC2D20E21 -24.91 6.02 -8.72 -0.75 0
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28392 827352 1 NSO2C20H21 ABC2D20E21 -23.47 5.22 -8.7 -0.76 0
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28393 827353 1 NS2C17H19 AB2C17D19 51.86 2.28 -8.2 -0.31 0
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28394 827354 1 NS2C17H19 AB2C17D19 48.62 2.03 -8.34 -0.4 0
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28395 827355 1 NS2C18H21 AB2C18D21 45.76 1.39 -8.31 -0.4 0
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28396 827360 1 NSO2C17H17 ABC2D17E17 -39.77 5.03 -8.61 -0.33 0
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28397 827363 1 ClNOSH12C15 ABCDE12F15 -5.4 4.53 -8.69 -0.54 0
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28398 827364 1 ClNOSH12C15 ABCDE12F15 -5.82 3.28 -8.87 -0.67 0
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28399 827368 1 NSC17H17 ABC17D17 48.39 1.63 -8.64 -0.15 0
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28400 827369 1 ClN4H11C13 AB4C11D13 99.61 2.92 -9.01 -0.85 0
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28401 827374 1 NOSC16H19 ABCD16E19 9.48 3.21 -8.41 -0.16 0
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28402 827375 1 NSO2C14H15 ABC2D14E15 -35.82 1.23 -8.41 -0.34 0
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28403 827376 1 NOSC15H17 ABCD15E17 4.72 3.65 -8.34 -0.05 0
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28404 827377 1 ON4C11H12 AB4C11D12 31.83 8.53 -9.3 -0.32 0
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28405 827384 1 NOSC17H21 ABCD17E21 -6.88 3.03 -8.2 -0.18 0
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28406 827397 1 ON2C17H30 AB2C17D30 -41.45 1.81 -8.45 0.37 0
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28407 827414 1 ClON6C10H17 ABC6D10E17 -4.51 2.87 -9.46 -0.4 0
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28408 827420 1 NO2H15C16 AB2C15D16 -31.58 3.64 -9.77 -0.52 0
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28409 827426 1 SN5H13C14 AB5C13D14 117.48 3.93 -9.02 -0.84 0
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28410 827431 1 ClON5C10H10 ABC5D10E10 26.17 3.34 -8.84 -0.68 0
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28411 827441 2 ON2C9H13 AB2C9D13 -67.69 3.19 -9.01 0.09 0
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28412 827445 1 N2S2O3H4C7 A2B2C3D4E7 20.32 5.42 -9.41 -2.63 0
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28413 827446 1 NO4C19H21 AB4C19D21 -136.29 3.88 -9.06 -0.66 0
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28414 827448 1 FSN2O2C17H17 ABC2D2E17F17 -105.77 4.71 -8.49 -1.05 0
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28415 827450 1 N2O2H12C13 A2B2C12D13 -10.84 5.8 -9.64 -1.05 0
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28416 827452 1 Cl2N2O2H8C15 A2B2C2D8E15 12.04 2.79 -9.63 -1.12 0
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28417 827460 1 N2O2C15H20 A2B2C15D20 -43.71 5.67 -8.6 -0.38 0
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28418 827461 3 OC4H6 AB4C6 -152.5 3.39 -10.15 0.29 0
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28419 827463 1 ClNO2C8H8 ABC2D8E8 -82.92 3.36 -9.06 -0.9 0
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28420 827466 1 O2C11H20 A2B11C20 -126.83 4.58 -9.55 0.52 0
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28421 827470 1 INO2C12H18 ABC2D12E18 -94.13 1.64 -9.12 -0.94 0
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28422 827477 1 ClNO3C14H14 ABC3D14E14 -120.76 2.84 -9.42 -0.65 0