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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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41203 8145450 1 FS2N5C20H23 AB2C5D20E23 55.95 12.38 0.0 0.0 0
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41204 8145451 1 FS2N5C20H22 AB2C5D20E22 66.65 5.59 -8.33 -1.02 0
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41205 8145453 1 FOSN6C19H21 ABCD6E19F21 56.41 1.97 -8.54 -0.72 0
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41206 8145454 2 NC12H12 AB12C12 70.57 0.32 -8.84 0.12 1
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41207 8145458 1 FSN5C22H23 ABC5D22E23 83.49 5.86 0.0 0.0 0
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41208 8145459 1 FSN5C22H22 ABC5D22E22 71.78 5.03 -8.24 -1.0 1
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41209 8145460 1 ClN3O3C21H23 AB3C3D21E23 -47.58 6.29 0.0 0.0 0
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41210 8145465 1 FSN5C20H22 ABC5D20E22 63.88 5.86 -8.29 -0.68 1
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41211 8145468 1 FSN6C18H22 ABC6D18E22 71.37 3.89 0.0 0.0 0
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41212 8145469 1 FSN6C18H21 ABC6D18E21 57.74 4.57 -8.48 -1.06 1
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41213 8145471 1 FSN5C18H25 ABC5D18E25 35.18 7.2 0.0 0.0 0
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41214 8145473 1 ON2S2H20C22 AB2C2D20E22 48.15 3.69 -8.62 -0.45 0
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41215 8145475 1 FSN6C20H23 ABC6D20E23 78.61 1.68 -8.63 -0.69 1
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41216 8145476 1 N3O5C23H28 A3B5C23D28 -112.57 7.14 0.0 0.0 0
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41217 8145477 1 N3O5C23H27 A3B5C23D27 -129.43 8.97 -8.25 -0.34 1
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41218 8145478 1 FO2N4C19H26 AB2C4D19E26 -93.46 0.79 0.0 0.0 0
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41219 8145479 1 FO2N4C19H25 AB2C4D19E25 -114.74 4.76 -8.3 0.04 0
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41220 8145488 1 N3O5C23H27 A3B5C23D27 -127.61 12.96 -8.55 -0.34 1
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41221 8145489 1 FO2N4C22H26 AB2C4D22E26 -60.68 3.87 0.0 0.0 0
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41222 8145490 1 FO2N4C22H25 AB2C4D22E25 -80.93 4.22 -8.43 -0.14 0
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41223 8145492 1 FO2N4C20H27 AB2C4D20E27 -118.47 5.12 -8.34 0.07 1
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41224 8145493 1 FO2N4C20H28 AB2C4D20E28 -93.73 5.03 0.0 0.0 0
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41225 8145494 1 FO2N4C20H27 AB2C4D20E27 -114.71 4.79 -8.28 0.05 1
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41226 8145495 1 N3O3C22H26 A3B3C22D26 -43.94 7.13 0.0 0.0 0
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41227 8145496 1 N3O3C22H25 A3B3C22D25 -60.06 7.3 -8.51 -0.46 1
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41228 8145497 1 FON4C25H26 ABC4D25E26 45.26 4.2 0.0 0.0 0
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41229 8145498 1 FON4C25H25 ABC4D25E25 26.43 2.25 -8.6 -0.37 1
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41230 8145500 1 N3O3C22H26 A3B3C22D26 -45.26 6.9 0.0 0.0 0
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41231 8145501 1 N3O3C22H25 A3B3C22D25 -60.22 6.89 -8.52 -0.49 1
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41232 8145502 1 ClFOSN4C19H19 ABCDE4F19G19 34.76 5.89 0.0 0.0 1
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41233 8145504 1 FSO2N4C20H22 ABC2D4E20F22 -0.71 8.46 0.0 0.0 -1
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41234 8145506 1 N4O6H7C10 A4B6C7D10 15.44 1.58 0.0 0.0 0
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41235 8145507 2 N2O3H4C5 A2B3C4D5 -39.58 5.59 -10.54 -2.42 1
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41236 8145510 1 FO2N4C21H24 AB2C4D21E24 -52.04 2.95 0.0 0.0 0
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41237 8145511 1 FO2N4C21H23 AB2C4D21E23 -72.24 4.43 -8.29 -0.2 1
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41238 8145512 1 N3O4C23H24 A3B4C23D24 -41.43 7.52 0.0 0.0 1
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41239 8145514 1 FO2N4C21H24 AB2C4D21E24 -52.3 3.72 0.0 0.0 1
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41240 8145516 1 FO2N4C22H26 AB2C4D22E26 -56.65 3.86 0.0 0.0 1
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41241 8145519 1 FO2N4C22H26 AB2C4D22E26 -56.32 3.78 0.0 0.0 0
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41242 8145520 1 FO2N4C22H25 AB2C4D22E25 -75.12 4.61 -8.41 -0.23 0
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41243 8145521 2 NO4H6C10 AB4C6D10 -86.45 1.82 -10.5 -2.29 0
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41244 8145523 1 N3O4C23H23 A3B4C23D23 -60.51 8.57 -8.59 -0.82 1
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41245 8145524 1 FO2N4C20H30 AB2C4D20E30 -116.06 1.6 0.0 0.0 0
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41246 8145527 1 FO2N4C20H29 AB2C4D20E29 -127.91 4.43 -8.54 -0.04 1
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41247 8145528 1 FO2N4C23H34 AB2C4D23E34 -112.81 5.24 0.0 0.0 0
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41248 8145529 1 FO2N4C23H33 AB2C4D23E33 -133.65 5.51 -8.32 0.05 1
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41249 8145530 1 ON3C23H30 AB3C23D30 6.91 9.16 0.0 0.0 0
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41250 8145531 1 ON3C23H29 AB3C23D29 -7.12 7.2 -9.15 -0.54 1
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41251 8145532 1 FO3N4C22H26 AB3C4D22E26 -93.16 4.81 0.0 0.0 1
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41252 8145534 1 FO3N4C22H26 AB3C4D22E26 -93.12 4.68 0.0 0.0 1