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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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311368 126591194 1 O4C15H20 A4B15C20 -163.12 2.9 -9.79 -0.01 0
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311369 126591198 1 NF2O6C16H17 AB2C6D16E17 -327.8 7.33 -9.09 -1.27 0
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311370 126591199 1 N3O5C9H17 A3B5C9D17 -139.57 4.16 -9.76 0.11 0
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311371 126591202 1 NOC17H17 ABC17D17 24.31 6.08 -7.65 0.42 0
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311372 126591224 1 N4H38C55 A4B38C55 299.12 5.4 -8.18 -1.28 0
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311373 126591225 1 SN4H24C41 AB4C24D41 237.8 5.47 -8.07 -1.23 0
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311374 126591229 1 NC25H37 AB25C37 12.6 2.6 -8.2 0.66 0
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311375 126591231 1 NO7C17H21 AB7C17D21 -279.24 3.81 -8.93 -0.97 0
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311376 126591247 1 NOC13H19 ABC13D19 -27.22 4.39 -9.4 0.55 0
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311377 126591248 1 N3O4C9H17 A3B4C9D17 32.0 2.78 -9.25 -1.24 0
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311378 126591250 1 BrNO2C12H16 ABC2D12E16 -74.77 3.56 -9.34 -0.04 0
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311379 126591263 1 NO6C15H17 AB6C15D17 -231.43 6.84 -9.44 -1.19 0
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311380 126591266 1 NO5C9H19 AB5C9D19 -239.76 5.79 -9.89 1.42 0
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311381 126591267 1 INO7H22C23 ABC7D22E23 -212.26 7.35 -8.84 -1.17 0
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311382 126591268 1 O2N4C23H26 A2B4C23D26 124.63 6.46 -8.79 -0.52 0
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311383 126591272 1 N4H38C53 A4B38C53 279.05 1.05 -8.3 -1.23 0
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311384 126591274 1 NO7C23H23 AB7C23D23 -230.65 6.32 -8.81 -0.86 0
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311385 126591275 1 OSN3H5C7 ABC3D5E7 32.91 5.27 -9.32 -1.39 0
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311386 126591278 1 ON3C17H25 AB3C17D25 -34.8 2.79 -8.85 0.38 0
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311387 126591280 1 N2O2C9H16 A2B2C9D16 -70.43 3.02 -9.19 0.66 0
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311388 126591281 1 ClINOC7H7 ABCDE7F7 -7.0 3.56 -9.8 -2.8 0
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311389 126591282 2 NC7H11 AB7C11 38.31 5.09 -9.86 -0.65 0
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311390 126591283 1 ON2C10H18 AB2C10D18 -20.37 1.56 -8.79 1.99 0
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311391 126591284 2 NC5H10 AB5C10 6.88 2.67 -8.69 2.32 0
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311392 126591285 1 N2O7C27H42 A2B7C27D42 -282.49 8.11 -9.09 0.56 0
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311393 126591304 1 F2N2O5C25H38 A2B2C5D25E38 -288.13 4.41 -9.31 0.55 0
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311394 126591308 1 NO5C8H17 AB5C8D17 -227.28 3.69 -9.44 1.11 0
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311395 126591346 1 O4C29H30 A4B29C30 -83.69 3.77 -8.79 -0.46 0
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311396 126591351 1 NOS2C24H35 ABC2D24E35 -19.7 1.62 -8.76 0.03 0
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311397 126591352 1 NOC16H29 ABC16D29 -41.16 4.2 -8.3 1.18 0
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311398 126591376 1 NO2F4C18H21 AB2C4D18E21 -270.13 4.69 -9.91 -0.72 0
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311400 126591466 4 OC4H6 AB4C6 -98.88 1.9 -9.8 0.99 0
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311401 126591489 1 ClO2F3N4H18C20 AB2C3D4E18F20 -165.09 3.13 -8.83 -1.28 0
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311402 126591589 1 O2F3N4H19C20 A2B3C4D19E20 -135.01 5.32 -8.82 -0.94 0
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311403 126591590 1 ON2C10H22 AB2C10D22 -72.8 2.69 -10.06 0.89 0
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311404 126591592 1 N4O4S4C21H32 A4B4C4D21E32 -93.85 6.78 -8.76 -1.86 0
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311405 126591593 1 S4N6O6C23H30 A4B6C6D23E30 -67.31 10.99 -8.99 -2.07 0
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311406 126591594 1 F3O5C15H21 A3B5C15D21 -332.45 3.93 -9.63 0.08 0
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311407 126591595 1 F3O5C15H21 A3B5C15D21 -333.79 4.13 -9.64 0.06 0
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311408 126591596 3 FO2C5H7 AB2C5D7 -363.57 4.18 -9.6 -0.3 0
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311409 126591598 1 F4O5C14H18 A4B5C14D18 -372.09 4.13 -9.89 -0.22 0
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311410 126591632 1 NH47C62 AB47C62 265.88 2.85 -7.89 -0.34 0
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311411 126591766 1 O3N8C22H24 A3B8C22D24 21.49 2.61 -8.57 -0.77 0
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311412 126591767 1 NO8C23H31 AB8C23D31 -226.11 4.07 -9.56 -1.52 0
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311413 126591977 1 ClO2N4C23H29 AB2C4D23E29 -50.51 3.02 -8.64 -0.73 2
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311414 126592033 1 ClN2O12C45H61 AB2C12D45E61 -361.27 7.95 -5.88 -0.33 0
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311415 126592096 1 ClN2C46H55 AB2C46D55 81.75 3.54 -7.78 -0.48 0
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311416 126592235 1 N4H36C53 A4B36C53 248.06 1.58 -8.23 -1.24 0
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311417 126592242 1 FN3O3C24H32 AB3C3D24E32 -149.13 3.71 -8.68 -0.63 0
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311418 126592345 1 ON5H39C60 AB5C39D60 261.22 1.95 -8.16 -1.48 0