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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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309241 126540928 1 N2O4C17H32 A2B4C17D32 -236.48 1.5 -9.94 0.52 0
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309242 126540938 1 NC13H25 AB13C25 -33.77 1.25 -8.48 2.84 0
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309243 126540946 1 O3N5C24H25 A3B5C24D25 -61.3 5.34 -8.28 -0.43 0
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309244 126540955 1 NC11H23 AB11C23 -32.73 1.5 -8.4 2.91 0
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309245 126540959 1 O3N4C13H20 A3B4C13D20 -109.91 3.38 -8.81 -0.3 0
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309246 126540968 1 SO4N6C23H30 AB4C6D23E30 -103.65 4.11 -8.68 -0.86 0
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309247 126540969 1 NC14H31 AB14C31 -69.08 1.32 -8.69 3.18 0
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309248 126540971 1 ON3C14H21 AB3C14D21 45.67 3.94 -9.26 -0.34 0
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309249 126540986 2 OF4H16C22 AB4C16D22 -365.72 2.18 -8.6 -0.92 0
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309250 126541006 1 PSN2O2C11H17 ABC2D2E11F17 -4.35 3.98 -8.33 -0.12 0
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309251 126541007 1 N5C15H23 A5B15C23 48.47 2.36 -7.98 -0.17 0
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309252 126541038 1 NO2C9H11 AB2C9D11 -66.65 4.51 -9.8 -0.26 1
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309254 126541157 1 SN2O4C23H30 AB2C4D23E30 -133.12 3.32 -8.7 -0.93 0
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309255 126541169 1 FSCl2N2O4C17H17 ABC2D2E4F17G17 -176.9 1.54 -9.69 -1.26 0
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309256 126541199 1 SF3N4O4C23H27 AB3C4D4E23F27 -248.11 6.0 -9.25 -0.56 0
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309257 126541242 1 ClFNOSC7H7 ABCDEF7G7 -58.7 2.13 -8.7 -0.44 0
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309258 126541255 1 OF3N3H12C16 AB3C3D12E16 -80.13 2.31 -8.55 -1.69 0
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309259 126541264 1 O3N6C25H32 A3B6C25D32 27.83 3.29 -8.61 -0.53 0
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309260 126541286 1 SN2O4C24H30 AB2C4D24E30 -118.16 7.13 -8.76 -0.59 0
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309261 126541303 1 NSC11H15 ABC11D15 31.85 0.59 -8.46 -0.27 0
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309262 126541358 1 N2C9H12 A2B9C12 38.67 2.37 -9.46 -0.59 0
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309263 126541364 1 S2N3O6C24H33 A2B3C6D24E33 -214.01 6.94 -8.85 -0.47 0
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309264 126541383 1 I2N2O5C9H12 A2B2C5D9E12 -160.48 4.58 -9.71 -2.48 0
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309265 126541410 1 N4O4H16C17 A4B4C16D17 -18.76 3.94 -9.87 -1.07 0
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309266 126541427 1 SO3N6C20H20 AB3C6D20E20 33.26 4.6 -9.3 -1.04 0
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309267 126541430 1 SO2F3N4C28H33 AB2C3D4E28F33 -143.44 4.57 -8.64 -1.21 0
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309268 126541432 1 ClF3N4O4C28H32 AB3C4D4E28F32 -230.24 4.23 -9.14 -1.07 0
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309269 126541436 2 N3O6C21H25 A3B6C21D25 -443.08 4.43 -8.77 -0.22 0
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309270 126541444 1 OS3C24H32 AB3C24D32 -37.7 0.35 -8.49 -0.6 0
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309271 126541464 2 O7C13H25 A7B13C25 -660.68 8.19 -9.7 1.12 0
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309272 126541484 1 F2O2N4C23H28 A2B2C4D23E28 -142.23 0.97 -8.49 -0.59 0
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309273 126541496 1 SO2N5C20H25 AB2C5D20E25 -2.78 5.05 -8.37 -0.44 0
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309274 126541502 1 SF2O3N4C27H32 AB2C3D4E27F32 -123.13 5.28 -8.58 -1.16 0
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309275 126541504 1 N5O11C21H41 A5B11C21D41 -492.51 8.32 -9.56 0.31 0
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309276 126541539 1 BrO2N4C18H23 AB2C4D18E23 -43.97 3.84 -8.98 -0.53 0
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309277 126541547 1 NC22H27 AB22C27 49.18 1.72 -9.12 0.25 0
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309278 126541551 1 FO3C13H13 AB3C13D13 -160.43 4.79 -9.35 -1.11 0
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309279 126541803 1 N3C27H47 A3B27C47 -42.5 3.44 -8.65 2.8 0
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309281 126541897 1 NS2O5F6C35H49 AB2C5D6E35F49 -567.19 6.2 -8.54 -0.88 0
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309282 126542031 1 SN5O5C28H45 AB5C5D28E45 -235.68 9.08 -9.17 -0.27 0
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309283 126542048 1 FSN5O5C30H42 ABC5D5E30F42 -240.78 3.42 -9.16 -0.6 0
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309284 126542122 2 ClON3C11H12 ABC3D11E12 -18.54 1.08 -8.3 -0.64 0
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309286 126542359 1 N8C48H53 A8B48C53 144.46 5.75 0.0 0.0 0
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309287 126542476 2 FN2O2C13H16 AB2C2D13E16 -225.72 6.44 -9.1 -1.17 0
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309288 126542554 1 NO2H77C80 AB2C77D80 48.51 2.98 -8.53 -1.12 0
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309289 126542596 1 NO2H11C19 AB2C11D19 29.69 4.04 -9.47 -1.77 0
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309290 126542648 1 NF2C8H15 AB2C8D15 -130.99 3.03 -8.92 2.17 0
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309291 126542670 1 OCl2N6C26H30 AB2C6D26E30 18.3 1.95 -8.39 -0.61 0
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309292 126542688 2 N3O4C20H24 A3B4C20D24 -299.17 1.43 -8.98 -0.78 1
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309293 126542695 1 O2N10C70H79 A2B10C70D79 126.77 9.04 0.0 0.0 0