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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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165341 74534810 1 FO2N7C24H26 AB2C7D24E26 -22.76 8.41 -8.76 -1.03 0
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165342 74534811 1 O3N7C22H25 A3B7C22D25 -4.65 7.94 -8.8 -1.1 0
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165343 74534812 1 SO2N7C22H25 AB2C7D22E25 29.99 8.01 -8.68 -1.34 0
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165344 74534832 1 O3N7C26H31 A3B7C26D31 -21.67 7.36 -8.75 -0.4 0
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165345 74535292 1 O3N6C22H32 A3B6C22D32 -94.47 6.81 -9.4 -0.42 1
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165346 74535587 1 ClFO2N4H21C27 ABC2D4E21F27 22.86 5.44 0.0 0.0 -1
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165347 74535685 1 ClFSN4O5H15C19 ABCD4E5F15G19 -83.51 4.95 0.0 0.0 -1
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165348 74535857 1 FSN2O6C23H24 ABC2D6E23F24 -180.83 2.5 0.0 0.0 -1
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165349 74535999 1 N2O4H17C22 A2B4C17D22 1.13 10.85 0.0 0.0 0
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165350 74536069 1 SO3N4C20H24 AB3C4D20E24 -75.72 7.48 -8.73 -0.65 0
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165351 74536070 1 SO3N4C19H24 AB3C4D19E24 -99.32 5.03 -8.91 -0.6 0
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165352 74536071 2 ON2C9H10 AB2C9D10 1.47 5.52 -8.99 -0.38 0
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165353 74536072 1 SO3N4C19H24 AB3C4D19E24 -99.51 6.92 -8.72 -0.65 0
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165354 74536563 1 SN3O5C19H21 AB3C5D19E21 -105.85 7.91 -9.61 -1.85 0
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165355 74536725 1 S2N3O6C22H25 A2B3C6D22E25 -205.95 4.0 -9.13 -0.62 1
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165356 74536834 1 NO4C12H24 AB4C12D24 -125.58 3.35 0.0 0.0 -1
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165357 74537266 1 OF3N5H13C21 AB3C5D13E21 -36.34 8.72 0.0 0.0 0
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165358 74537337 1 SCl2N2O3H16C20 AB2C2D3E16F20 -53.91 5.48 -9.04 -1.73 0
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165359 74537338 1 SCl2O2N4H16C20 AB2C2D4E16F20 -21.21 3.24 -8.83 -1.7 0
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165360 74537776 1 NSO6C22H25 ABC6D22E25 -230.61 4.54 -9.23 -1.25 -1
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165361 74538602 1 FNO4C23H23 ABC4D23E23 -126.21 10.48 0.0 0.0 0
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165362 74538784 1 OF4N5H13C17 AB4C5D13E17 -136.05 7.27 -9.17 -1.39 0
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165364 74539341 2 NH9C13 AB9C13 145.49 7.33 -7.75 -1.17 -1
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165365 74540186 1 FNO4H15C22 ABC4D15E22 -67.54 6.43 0.0 0.0 2
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165366 74540476 2 NC12H13 AB12C13 88.55 2.46 -6.92 -0.2 0
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165367 74540741 1 F2N2O3H16C20 A2B2C3D16E20 -102.35 6.63 -9.04 -1.17 0
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165368 74541011 1 N2O3H18C24 A2B3C18D24 -9.25 4.85 -8.77 -0.96 0
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165369 74541298 1 ClO2N5H20C22 AB2C5D20E22 44.84 5.7 -8.92 -1.69 0
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165370 74541334 1 SO2N3C21H31 AB2C3D21E31 -97.37 2.96 -8.76 -0.1 0
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165371 74541335 1 FSO2N4H17C21 ABC2D4E17F21 2.63 4.8 -9.24 -1.78 -2
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165372 74541384 1 ClNO7H18C22 ABC7D18E22 -169.38 10.66 -8.75 -0.93 0
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165373 74541393 1 SN3O4C19H25 AB3C4D19E25 -159.35 6.78 -8.98 -0.37 0
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165374 74541403 1 N2O4C23H26 A2B4C23D26 -115.94 6.62 -8.08 -0.63 1
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165375 74541509 1 N3O5H18C19 A3B5C18D19 -103.64 5.09 0.0 0.0 1
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165376 74541510 1 N3O4H18C19 A3B4C18D19 -72.13 4.2 0.0 0.0 -1
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165377 74541668 1 ON2S2H11C15 AB2C2D11E15 79.24 4.17 0.0 0.0 0
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165378 74542400 1 N4O4H10C17 A4B4C10D17 130.83 4.33 -9.7 -2.24 0
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165379 74542499 1 ClFN4O4C20H28 ABC4D4E20F28 -216.78 2.04 -9.79 -0.98 0
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165380 74542500 1 ClFN4O5C19H26 ABC4D5E19F26 -250.44 4.5 -9.39 -0.62 1
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165381 74543094 1 ClFN3O3H20C22 ABC3D3E20F22 -89.36 10.42 0.0 0.0 0
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165382 74543095 1 SO2N4H20C22 AB2C4D20E22 37.34 8.6 -8.72 -2.25 0
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165383 74543096 1 SN2O4H20C25 AB2C4D20E25 -39.48 3.11 -8.64 -1.61 0
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165384 74544089 1 ClN2O4C21H23 AB2C4D21E23 -150.91 6.21 -9.09 -0.87 0
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165385 74544395 1 ClN2O6C24H27 AB2C6D24E27 -200.46 3.41 -8.77 -0.96 0
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165386 74544488 5 OC4H4 AB4C4 -157.94 10.84 -9.37 -1.06 -1
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165387 74544550 1 NO3C12H12 AB3C12D12 -83.18 11.28 0.0 0.0 0
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165388 74544836 1 BrON2C11H13 ABC2D11E13 -22.2 4.89 -9.65 -0.54 0
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165389 74545079 1 O2N6C19H26 A2B6C19D26 -20.25 4.44 -9.25 -0.8 0
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165390 74545206 1 SO4N5C26H27 AB4C5D26E27 -29.24 7.88 -8.87 -0.79 0
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165391 74545405 1 OSN2H14C17 ABC2D14E17 51.53 2.99 -8.54 -1.27 1