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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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137312 52189389 1 BrN3O3C17H22 AB3C3D17E22 -114.84 3.82 -8.76 -0.26 0
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137313 52189857 1 N4O5C15H16 A4B5C15D16 -82.24 2.15 -9.53 -1.47 0
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137314 52189858 1 N3O5C20H23 A3B5C20D23 -93.02 7.28 -8.77 -1.17 0
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137315 52189859 1 N3O5C20H23 A3B5C20D23 -97.82 7.85 -8.87 -1.06 0
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137316 52189860 1 N3O5C20H23 A3B5C20D23 -93.06 8.08 -8.8 -1.07 0
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137317 52189861 1 N3O5C20H23 A3B5C20D23 -93.31 7.62 -8.82 -1.08 0
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137318 52189862 1 N3O4H17C18 A3B4C17D18 -30.22 5.57 -9.26 -1.31 0
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137319 52189863 1 N3O4H17C18 A3B4C17D18 -30.24 5.99 -9.3 -1.29 1
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137320 52189864 1 SO3N4C19H27 AB3C4D19E27 14.55 9.64 0.0 0.0 0
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137321 52189865 1 SO3N4C19H26 AB3C4D19E26 -11.8 7.74 -8.75 -1.19 0
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137322 52190033 1 N3O3C18H25 A3B3C18D25 -118.41 5.46 -8.98 0.18 0
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137323 52190567 1 ClO3N4C19H25 AB3C4D19E25 -77.76 5.13 -8.86 -0.2 0
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137324 52190938 1 O3N5C19H25 A3B5C19D25 -70.64 7.59 -8.68 -0.12 0
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137325 52190939 1 O3N4C20H26 A3B4C20D26 -71.68 5.89 -8.85 -0.12 0
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137326 52191030 2 ON3C8H13 AB3C8D13 -49.89 7.74 -8.96 0.41 0
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137327 52191474 1 N2O3C14H14 A2B3C14D14 -86.55 2.64 -9.0 -0.66 0
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137328 52191483 1 OF2N3C19H21 AB2C3D19E21 -99.83 4.98 -8.69 -0.38 0
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137329 52191490 3 NOC7H9 ABC7D9 -83.18 4.31 -8.38 0.09 1
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137330 52191531 1 N3O4C22H30 A3B4C22D30 -98.91 2.89 0.0 0.0 0
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137331 52191536 1 N3O4C22H29 A3B4C22D29 -123.57 5.86 -8.11 -0.26 0
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137332 52191581 1 N3C14H19 A3B14C19 32.19 4.22 -8.79 -0.02 0
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137333 52191650 1 O2N3C23H27 A2B3C23D27 -1.03 5.46 -8.83 -0.14 1
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137334 52191651 1 OSN2C15H25 ABC2D15E25 -12.84 14.41 0.0 0.0 0
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137335 52191879 1 SN3O3C18H29 AB3C3D18E29 -132.52 10.6 -9.06 -0.46 0
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137336 52191889 1 SN3O3C21H27 AB3C3D21E27 -70.04 10.02 -9.13 -0.51 0
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137337 52192166 1 SN2O2C20H26 AB2C2D20E26 -73.22 1.23 -9.21 -0.34 0
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137338 52192279 1 SF2N2O2C17H18 AB2C2D2E17F18 -144.39 2.96 -8.98 -0.7 0
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137339 52192280 1 SN2O3F4H16C17 AB2C3D4E16F17 -283.7 1.74 -9.14 -0.81 1
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137340 52192281 1 OSF2N4C18H21 ABC2D4E18F21 -98.35 4.35 0.0 0.0 0
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137341 52192867 1 ClO2N3C19H22 AB2C3D19E22 -72.52 5.41 -8.33 -0.23 0
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137342 52192868 1 ClO2N3C19H22 AB2C3D19E22 -70.05 6.97 -8.3 -0.2 0
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137343 52192869 1 ClO2N3C19H22 AB2C3D19E22 -71.09 4.78 -8.27 -0.34 0
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137344 52193292 1 NO3C20H31 AB3C20D31 56.58 6.95 -8.66 0.5 0
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137345 52193457 1 ClN2O3H15C16 AB2C3D15E16 -91.77 2.4 -9.34 -0.89 -1
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137346 52194079 1 O6C18H29 A6B18C29 -264.3 4.68 0.0 0.0 0
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137347 52194312 1 O2N5C19H25 A2B5C19D25 -33.02 3.63 -8.76 -0.03 0
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137348 52194313 1 O2N5C19H25 A2B5C19D25 -33.89 2.34 -8.79 -0.07 0
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137349 52194314 1 SN2O2C16H20 AB2C2D16E20 -56.69 3.4 -8.88 -0.2 0
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137350 52194791 1 SN3O3C22H29 AB3C3D22E29 -76.67 3.77 -9.02 -0.36 0
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137351 52194980 1 F2O3N4C15H16 A2B3C4D15E16 -170.54 10.33 -8.96 -0.45 1
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137352 52195170 1 O2N4C23H41 A2B4C23D41 -67.67 3.59 0.0 0.0 0
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137353 52195265 1 O2F3N5C19H20 A2B3C5D19E20 -139.27 4.62 -8.99 -1.18 0
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137354 52195354 1 N3O3C20H23 A3B3C20D23 -63.78 5.59 -9.07 -0.3 0
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137355 52196091 1 FSN2O3C17H25 ABC2D3E17F25 -194.29 3.2 -8.96 -0.45 0
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137356 52196169 1 S2N4O4C17H22 A2B4C4D17E22 -139.57 0.9 -8.66 -1.16 0
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137357 52196209 1 O2N5C20H25 A2B5C20D25 -31.86 1.35 -8.92 -0.15 0
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137358 52196243 1 N3O3C21H25 A3B3C21D25 -104.18 5.24 -9.15 -0.42 0
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137359 52196244 1 ClSN2O2C17H17 ABC2D2E17F17 -46.68 4.41 -9.07 -0.68 0
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137360 52196696 1 ON3C18H25 AB3C18D25 11.17 3.6 -8.59 -0.19 1
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137361 52197664 1 ON8C17H21 AB8C17D21 112.92 6.9 0.0 0.0 0
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137362 52198220 1 NSO5C19H21 ABC5D19E21 -131.86 5.38 -8.88 -0.83 0
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137363 52198221 1 NOSH11C15 ABCD11E15 61.3 4.75 -9.42 -1.04 0
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137364 52198222 1 NSO2H13C16 ABC2D13E16 21.92 5.32 -8.9 -0.96 1
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137365 52198459 1 O3N5C18H24 A3B5C18D24 -66.99 3.3 0.0 0.0 0
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137366 52199007 1 O2N3C21H25 A2B3C21D25 -44.11 7.19 -8.58 0.09 0
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137367 52199016 1 O2N3C15H21 A2B3C15D21 -69.2 7.1 -8.59 0.1 0
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137368 52199379 1 O3N4C19H20 A3B4C19D20 -63.46 8.06 -8.55 -0.55 0
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137369 52199380 1 O3N4C19H20 A3B4C19D20 -56.96 8.35 -8.83 -0.55 0
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137370 52200069 1 O3N4C22H24 A3B4C22D24 -38.77 3.22 -8.75 -0.34 0
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137371 52200086 1 FO2N3C17H26 AB2C3D17E26 -125.62 4.52 -8.61 -0.06 0
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137372 52200414 1 FSN3O3C15H16 ABC3D3E15F16 -116.46 7.3 -9.35 -0.76 0
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137373 52200453 1 ClFO2N3C19H19 ABC2D3E19F19 -106.63 4.11 -8.64 -0.21 0
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137374 52200864 1 ClFN2O3C17H18 ABC2D3E17F18 -136.84 3.52 -8.3 -0.38 0
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137375 52201012 1 ClFON4H18C20 ABCD4E18F20 8.87 2.19 -8.54 -1.08 0
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137376 52201019 1 NO2C19H21 AB2C19D21 -54.37 3.48 -8.64 -0.21 0
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137377 52201510 2 N2O2C11H12 A2B2C11D12 -59.53 3.85 -8.51 -0.97 0
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137378 52201547 1 SO2N3H21C23 AB2C3D21E23 11.06 6.46 -8.78 -1.19 1
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137379 52201548 1 O3N4C19H29 A3B4C19D29 -22.3 1.98 0.0 0.0 0
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137380 52201549 1 O3N4C19H28 A3B4C19D28 -41.79 1.54 -8.3 -0.16 0
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137381 52201659 1 N2O3C18H22 A2B3C18D22 -74.16 3.58 -8.26 0.09 0
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137382 52201982 1 OSN3C21H27 ABC3D21E27 -0.01 4.25 -8.62 -0.04 0
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137383 52202012 1 FO2N3C24H30 AB2C3D24E30 -66.99 3.35 -8.3 -0.32 1
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137384 52202275 1 N3O4C20H28 A3B4C20D28 -62.39 6.28 0.0 0.0 0
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137385 52202857 1 FNS2O3C13H16 ABC2D3E13F16 -161.21 8.38 -9.43 -0.92 0
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137386 52202858 1 FNS2O3C13H16 ABC2D3E13F16 -161.13 6.25 -9.4 -0.94 0
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137387 52202868 1 SN2O4C12H16 AB2C4D12E16 -145.91 7.15 -9.94 -0.96 0
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137388 52203259 1 FNO4H12C15 ABC4D12E15 -96.32 1.55 -9.52 -1.52 0
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137389 52203260 1 FN3O4C20H20 AB3C4D20E20 -144.92 5.12 -8.97 -0.25 0
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137390 52203261 1 FN3O4C20H20 AB3C4D20E20 -146.86 0.84 -9.12 -0.36 0
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137391 52203262 1 N3O4C19H25 A3B4C19D25 -145.86 3.23 -9.24 -0.13 0
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137392 52203263 1 N3O4C19H25 A3B4C19D25 -144.39 4.95 -9.24 -0.15 0
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137393 52203264 1 N3O4C17H21 A3B4C17D21 -90.84 3.56 -9.22 -0.03 0
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137394 52203561 1 ClSN2F3O3H14C17 ABC2D3E3F14G17 -234.14 3.5 -8.71 -1.41 0
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137395 52203562 1 N2F3O4C16H21 A2B3C4D16E21 -324.54 4.25 -9.16 -0.49 0
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137396 52203563 1 N2F3O4C16H21 A2B3C4D16E21 -324.49 3.52 -9.06 -0.41 0
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137397 52204145 1 ClSN2O3H15C17 ABC2D3E15F17 -26.13 5.29 -9.66 -0.87 0
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137398 52204146 1 ClNSO3H16C18 ABCD3E16F18 -63.25 5.26 -9.31 -0.87 0
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137399 52204147 1 SCl2O3H14C15 AB2C3D14E15 -99.44 7.76 -9.33 -0.69 0
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137400 52204148 1 ClSN2O3H15C17 ABC2D3E15F17 -28.29 5.78 -9.55 -0.91 0
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137401 52204149 1 NSO3C19H23 ABC3D19E23 -105.53 1.93 -9.0 -0.2 0
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137402 52204150 1 NSO3C19H23 ABC3D19E23 -107.45 2.3 -8.94 -0.17 0
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137403 52204151 1 BrO2N3C17H20 AB2C3D17E20 -34.87 2.97 -8.07 -0.78 0
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137404 52204152 1 SO2N3C17H21 AB2C3D17E21 -36.54 1.46 -8.05 -1.0 0
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137405 52204153 2 FON2C11H13 ABC2D11E13 -142.27 5.84 -8.12 -0.65 0
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137406 52204154 1 OSN5C14H19 ABC5D14E19 29.49 5.41 -8.22 -1.51 0
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137407 52204155 1 O2N4C15H24 A2B4C15D24 -88.74 2.28 -8.14 0.0 0
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137408 52204156 2 ON2C8H12 AB2C8D12 -76.29 2.21 -8.15 -0.03 0
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137409 52204322 1 N3O3C24H29 A3B3C24D29 -108.08 8.58 -9.12 -0.19 1
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137410 52204755 1 SO3N5C18H24 AB3C5D18E24 -79.31 8.63 0.0 0.0 0
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137411 52204779 1 FSN2O4C19H19 ABC2D4E19F19 -168.04 5.89 -9.14 -0.86 0