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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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41153 8145370 1 N4O4C23H32 A4B4C23D32 -140.7 2.82 -8.19 -1.05 1
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41154 8145372 1 N4O4C23H33 A4B4C23D33 -131.39 12.44 0.0 0.0 1
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41155 8145374 1 N4O4C23H33 A4B4C23D33 -129.22 10.44 0.0 0.0 0
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41156 8145375 1 N4O4C23H32 A4B4C23D32 -137.58 4.29 -8.22 -0.93 0
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41157 8145376 1 NOC21H27 ABC21D27 -11.44 3.9 -8.68 0.22 1
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41158 8145379 1 N2O3C23H31 A2B3C23D31 -44.93 4.56 0.0 0.0 0
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41159 8145380 1 N2O3C23H30 A2B3C23D30 -62.7 3.2 -8.43 0.13 1
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41160 8145381 1 N3O5C23H26 A3B5C23D26 -107.9 5.62 0.0 0.0 1
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41161 8145383 1 O3N5C20H24 A3B5C20D24 61.58 9.92 0.0 0.0 0
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41162 8145384 1 O3N5C20H23 A3B5C20D23 46.14 5.94 -8.92 -1.32 1
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41163 8145385 1 FSO2N5C18H23 ABC2D5E18F23 -29.65 3.94 0.0 0.0 0
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41164 8145386 1 FSO2N5C18H22 ABC2D5E18F22 -48.19 6.64 -8.53 -0.6 0
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41165 8145388 1 OSN6H18C19 ABC6D18E19 87.21 5.33 -9.21 -1.17 0
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41166 8145389 1 ClN2O4C20H21 AB2C4D20E21 -131.14 3.68 -8.8 -0.66 1
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41167 8145390 1 ClFSN5C19H20 ABCD5E19F20 74.05 4.28 0.0 0.0 0
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41168 8145391 1 ClFSN5C19H19 ABCD5E19F19 58.41 2.39 -8.46 -0.91 1
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41169 8145392 1 FSN5C21H25 ABC5D21E25 65.69 5.25 0.0 0.0 0
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41170 8145393 1 FSN5C21H24 ABC5D21E24 51.21 4.4 -8.53 -0.53 0
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41171 8145395 1 N3C28H41 A3B28C41 70.65 4.67 -8.16 0.06 1
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41172 8145396 1 FOSN5C20H23 ABCD5E20F23 43.08 4.77 0.0 0.0 0
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41173 8145399 1 ClFSN5C20H21 ABCD5E20F21 45.7 2.33 -8.55 -0.74 0
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41174 8145400 1 N3C28H41 A3B28C41 73.5 2.95 -8.07 -0.1 1
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41175 8145401 1 FSN5C21H25 ABC5D21E25 64.91 4.83 0.0 0.0 0
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41176 8145402 1 FSN5C21H24 ABC5D21E24 48.59 4.18 -8.35 -0.22 1
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41177 8145403 1 FO3N4C22H28 AB3C4D22E28 -119.38 3.63 0.0 0.0 1
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41178 8145405 1 FO2N4C17H24 AB2C4D17E24 -88.26 4.41 0.0 0.0 0
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41179 8145407 1 N3C28H41 A3B28C41 71.35 4.73 -8.14 0.06 0
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41180 8145408 1 SO2N6H16C20 AB2C6D16E20 88.93 6.14 -9.05 -1.24 1
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41181 8145411 1 FO2N4C24H28 AB2C4D24E28 -64.83 4.45 0.0 0.0 0
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41182 8145412 1 FO2N4C24H27 AB2C4D24E27 -84.81 5.61 -8.34 -0.06 1
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41183 8145413 1 FO2N4C24H28 AB2C4D24E28 -64.21 4.34 0.0 0.0 0
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41184 8145414 1 FO2N4C24H27 AB2C4D24E27 -82.38 5.8 -8.29 -0.21 0
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41185 8145418 1 FON2C19H23 ABC2D19E23 -58.39 2.21 -8.52 -0.12 1
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41186 8145419 1 FSN4C15H20 ABC4D15E20 31.21 3.33 0.0 0.0 0
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41187 8145420 1 FSN4C15H19 ABC4D15E19 18.06 5.69 -8.12 0.01 1
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41188 8145421 3 NOC7H8 ABC7D8 -34.01 11.51 0.0 0.0 0
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41189 8145422 1 N3O3C21H23 A3B3C21D23 -51.77 8.08 -8.5 -0.41 1
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41190 8145423 1 FN3O5C20H29 AB3C5D20E29 -227.21 4.82 0.0 0.0 1
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41191 8145426 1 ClFO2N3H18C19 ABC2D3E18F19 -46.25 5.9 0.0 0.0 0
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41192 8145427 1 ClFO2N3H17C19 ABC2D3E17F19 -51.04 4.82 -8.47 -1.71 0
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41193 8145429 1 FS2N5C20H22 AB2C5D20E22 63.97 4.58 -8.37 -1.11 1
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41194 8145435 1 F2O2N3H18C19 A2B2C3D18E19 -83.36 5.85 0.0 0.0 0
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41195 8145436 1 F2O2N3H17C19 A2B2C3D17E19 -87.9 5.17 -8.47 -1.75 1
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41196 8145437 1 FS2N5C17H19 AB2C5D17E19 83.97 3.32 0.0 0.0 0
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41197 8145438 1 FS2N5C17H18 AB2C5D17E18 83.92 7.56 -8.44 -1.55 0
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41198 8145440 1 SN3O3C23H27 AB3C3D23E27 -76.77 3.68 -8.25 -0.65 0
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41199 8145441 1 N2O5H20C21 A2B5C20D21 -54.14 8.52 -9.05 -1.64 1
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41200 8145442 1 FSO3N4C20H20 ABC3D4E20F20 -22.25 6.59 0.0 0.0 0
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41201 8145443 1 FSO3N4H19C20 ABC3D4E19F20 -37.58 4.18 -8.47 -1.18 1
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41202 8145448 1 FSN5C21H25 ABC5D21E25 63.66 6.68 0.0 0.0 1
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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