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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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394098 135022323 1 ClNH14C19 ABC14D19 89.69 2.3 -8.79 -1.12 0
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394099 135022324 1 ClNH16C20 ABC16D20 79.38 3.57 -8.65 -0.96 0
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394100 135022325 1 NO2H13C17 AB2C13D17 -9.25 1.07 -8.97 -0.8 0
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394101 135022326 1 N2O7C27H32 A2B7C27D32 -290.94 7.06 -9.02 -0.58 0
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394102 135022327 1 N2O7C27H32 A2B7C27D32 -290.54 3.21 -8.73 -0.28 0
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394103 135022328 1 NO6C18H25 AB6C18D25 -248.12 4.62 -8.94 -0.32 0
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394104 135022329 1 N2O11C35H46 A2B11C35D46 -447.53 8.12 -8.75 -1.0 0
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394105 135022330 1 N2O7C28H34 A2B7C28D34 -287.53 1.2 -8.75 -0.31 0
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394106 135022331 1 N2O7C28H34 A2B7C28D34 -288.59 4.08 -8.84 -0.39 0
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394107 135022332 1 N2O7C27H32 A2B7C27D32 -292.99 3.92 -9.04 -0.59 0
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394108 135022333 1 N2O7C27H32 A2B7C27D32 -291.95 2.43 -8.85 -0.4 0
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394109 135022334 1 NO5C18H23 AB5C18D23 -157.33 3.82 -8.96 -0.3 0
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394110 135022359 1 NSH17C24 ABC17D24 101.35 1.16 -8.63 -0.86 0
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394111 135022360 4 OC4H6 AB4C6 -53.5 2.58 -9.64 1.2 0
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394112 135022361 4 OC4H6 AB4C6 -158.71 1.92 -9.04 0.77 0
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394113 135022362 1 O2N3H15C16 A2B3C15D16 -29.15 6.11 -9.21 -0.96 0
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394114 135022363 1 OS2C20H24 AB2C20D24 -5.92 3.16 -8.74 -0.36 0
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394115 135022372 2 NH2C4 AB2C4 176.53 2.62 -10.16 -1.35 0
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394116 135022377 1 OC15H28 AB15C28 -96.2 2.54 -10.11 2.82 0
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394117 135022378 1 N3O5C18H25 A3B5C18D25 -121.88 6.41 -9.76 -0.04 0
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394118 135022379 1 ON3C17H17 AB3C17D17 67.47 5.4 -9.46 -0.39 0
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394119 135022381 1 ON3C18H27 AB3C18D27 2.9 4.33 -9.61 -0.01 0
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394120 135022382 1 N3O3C20H23 A3B3C20D23 -23.04 5.24 -9.6 -0.12 0
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394121 135022383 1 NO2H15C18 AB2C15D18 -8.41 3.4 -8.18 -0.72 0
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394122 135022384 1 NO2H15C18 AB2C15D18 7.96 4.28 -8.33 -0.91 0
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394123 135022385 1 NO2H11C13 AB2C11D13 8.08 2.48 -9.07 -0.97 0
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394124 135022386 2 NC10H12 AB10C12 55.76 2.58 -8.37 0.36 0
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394125 135022387 1 NO9C21H31 AB9C21D31 -334.38 3.85 -10.02 -0.82 0
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394126 135022388 1 IO2C13H23 AB2C13D23 -93.7 2.13 -9.74 -0.75 0
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394127 135022389 1 SiO3C17H24 AB3C17D24 -155.65 5.78 -9.63 -0.11 -1
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394128 135022390 1 NiN2O2H23C28 AB2C2D23E28 123.86 5.91 0.0 0.0 0
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394129 135022392 1 N3O7C15H15 A3B7C15D15 -194.55 4.29 -10.01 -1.37 0
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394130 135022393 1 NO6H17C20 AB6C17D20 -109.5 0.58 -9.87 -1.58 0
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394131 135022401 1 Br2O2C15H20 A2B2C15D20 -44.68 1.65 -9.37 -0.67 0
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394132 135022402 1 Br2O2C15H20 A2B2C15D20 -51.39 0.66 -9.68 -0.71 0
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394133 135022403 1 NSiO5C30H51 ABC5D30E51 -244.04 4.03 -8.67 0.3 0
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394134 135022404 2 BrNO4H7C8 ABC4D7E8 -112.01 3.64 -9.75 -1.66 0
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394135 135022405 2 NO2C8H10 AB2C8D10 -117.54 3.17 -8.24 -0.09 0
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394136 135022406 2 N2O5C21H23 A2B5C21D23 -331.57 7.6 -8.7 -0.39 0
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394137 135022407 1 N3O7C29H33 A3B7C29D33 -226.21 0.98 -8.56 -0.3 0
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394138 135022408 1 SN3O9C36H39 AB3C9D36E39 -283.61 4.39 -8.75 -0.7 0
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394139 135022409 1 NO2C16H23 AB2C16D23 -79.08 0.83 -8.99 0.5 1
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394140 135022410 1 NOC10H17 ABC10D17 -42.61 1.54 -8.44 1.31 0
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394141 135022412 1 NO2S2C21H23 AB2C2D21E23 -18.02 5.38 -8.37 -0.56 0
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394142 135022413 1 NSiCl3O3C17H28 ABC3D3E17F28 -181.06 2.38 -8.86 -0.88 0
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394143 135022414 1 O6C25H32 A6B25C32 -230.97 1.59 -8.03 0.15 0
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394144 135022415 1 O6C25H32 A6B25C32 -233.01 1.38 -8.07 0.12 1
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394145 135022416 1 NOC10H16 ABC10D16 -28.49 0.79 0.0 0.0 0
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394146 135022417 1 N5C20H21 A5B20C21 115.94 5.27 -8.86 -0.72 0
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394147 135022418 1 I2F3H3C7 A2B3C3D7 -84.03 3.0 -9.85 -1.59 0
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394148 135022422 1 FSiO5C19H23 ABC5D19E23 -237.13 3.54 -8.98 -0.57 0
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394149 135022425 1 O3C17H24 A3B17C24 -62.89 4.46 -9.12 0.51 0
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394150 135022426 1 ON4H34C35 AB4C34D35 98.77 6.52 -9.07 -0.92 0
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394151 135022427 2 O3H8C11 A3B8C11 -155.55 2.28 -9.34 -1.57 -1
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394152 135022428 1 O6H15C22 A6B15C22 -127.4 6.95 0.0 0.0 1
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394153 135022430 1 ClNH9C10 ABC9D10 79.28 4.14 0.0 0.0 0
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394154 135022431 2 O3C10H16 A3B10C16 -302.31 2.98 -9.99 0.18 0
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394155 135022432 1 O6C19H28 A6B19C28 -275.29 2.04 -9.64 0.16 0
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394156 135022433 1 SO5C16H18 AB5C16D18 -186.26 4.12 -9.02 -0.45 -2
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394157 135022434 1 NOYH9C13 ABCD9E13 83.25 3.56 0.0 0.0 0
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394158 135022435 1 SiO5C23H34 AB5C23D34 -242.76 3.42 -8.23 -0.42 0
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394159 135022436 1 SiO5C21H28 AB5C21D28 -230.72 5.12 -9.22 -1.56 0
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394160 135022437 1 O10C31H42 A10B31C42 -406.37 6.08 -8.89 -0.93 0
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394161 135022438 1 S2O5C27H28 A2B5C27D28 -145.75 4.53 -8.53 -1.25 1
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394162 135022439 1 OI2S2N3C38H40 AB2C2D3E38F40 99.59 5.41 0.0 0.0 1
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394163 135022440 1 N3S3O4H24C35 A3B3C4D24E35 82.82 6.44 0.0 0.0 2
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394164 135022441 1 N3S3O4H25C35 A3B3C4D25E35 106.81 11.34 -6.67 -1.61 0
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394165 135022442 4 NOH4C5 ABC4D5 -18.54 2.7 -9.42 -1.2 0
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394166 135022443 1 O2C15H18 A2B15C18 -63.53 3.25 -9.49 -0.19 0
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394167 135022444 1 SSi2O3C24H44 AB2C3D24E44 -259.7 2.23 -8.71 -0.15 0
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394168 135022445 1 SSi3O4C30H58 AB3C4D30E58 -366.17 0.97 -8.79 -0.18 0
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394169 135022446 1 Si3O4C24H52 A3B4C24D52 -369.93 1.68 -8.68 0.48 0
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394170 135022447 1 SSi3O4C30H58 AB3C4D30E58 -365.22 3.05 -8.63 -0.3 0
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394171 135022448 1 SO4C33H34 AB4C33D34 -67.28 1.42 -9.1 -0.42 0
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394172 135022449 1 O5C27H30 A5B27C30 -148.42 3.53 -9.37 0.09 0
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394173 135022473 1 ON2H14C18 AB2C14D18 37.15 7.71 -9.06 -0.83 0
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394174 135022474 1 NSO4H17C20 ABC4D17E20 -87.35 6.83 -9.67 -0.64 0
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394175 135022475 1 ClNSO2H14C18 ABCD2E14F18 -10.01 5.64 -9.72 -0.86 0
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394176 135022476 1 NSO3H15C18 ABC3D15E18 -42.46 6.69 -8.69 -1.42 0
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394177 135022477 1 N2S2O4H22C25 A2B2C4D22E25 -60.99 4.02 -9.27 -0.74 0
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394178 135022478 2 NSO2H14C18 ABC2D14E18 -3.68 7.86 -9.75 -1.0 0
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394179 135022479 2 BrNSO2H11C17 ABCD2E11F17 23.36 4.39 -9.95 -1.27 0
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394180 135022480 1 ON2H14C18 AB2C14D18 36.89 8.24 -8.62 -0.96 0
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394181 135022483 1 O3C19H24 A3B19C24 -88.28 2.47 -9.76 -0.77 0
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394182 135022484 1 N5H19C27 A5B19C27 196.42 4.71 -8.93 -0.9 0
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394183 135022485 2 N2H8C11 A2B8C11 146.09 4.93 -9.04 -0.84 0
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394184 135022486 1 NO3H17C24 AB3C17D24 -33.17 8.3 -9.06 -1.06 0
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394185 135022487 4 H11C35 A11B35 842.27 2.58 -7.69 -1.94 0
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394186 135022492 1 N2O11C33H38 A2B11C33D38 -379.17 2.61 -9.64 -0.64 0
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394189 135022503 1 NO6H17C20 AB6C17D20 -107.2 5.32 -9.85 -1.74 0
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394190 135022504 1 N3O8C28H43 A3B8C28D43 -333.38 2.54 -8.32 -1.86 0
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394191 135022506 4 NOC5H6 ABC5D6 -79.57 2.7 -9.13 -0.27 0
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394192 135022508 1 N2O4H14C17 A2B4C14D17 -54.46 3.94 -9.73 -1.62 0
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394193 135022509 2 NO3H8C9 AB3C8D9 -118.9 5.47 -8.73 -1.75 0
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394194 135022510 2 NO2H8C9 AB2C8D9 -64.15 4.29 -9.63 -1.75 1
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394195 135022512 2 H7C9 A7B9 162.12 0.55 -7.74 -1.07 1
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394196 135022513 3 H5C6 A5B6 79.61 0.77 0.0 0.0 0
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394197 135022515 1 OSiC10H20 ABC10D20 -62.9 1.61 -9.15 0.94 0
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394198 135022516 1 OSiC17H30 ABC17D30 -57.6 1.23 -9.52 0.84 0
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394199 135022525 1 ClO2F3H12C17 AB2C3D12E17 -184.68 6.63 -8.55 -1.01 0