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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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234398 92298339 2 NO2H8C9 AB2C8D9 -99.28 2.82 -9.14 -0.53 0
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234399 92298343 1 ClNO2C16H22 ABC2D16E22 -108.08 1.8 -8.98 -0.15 0
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234400 92298344 1 ClNO2C16H22 ABC2D16E22 -108.65 3.56 -8.99 -0.11 0
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234401 92298345 1 NO4C18H25 AB4C18D25 -182.07 4.2 -9.53 -0.56 0
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234402 92298349 1 SN3O3H19C20 AB3C3D19E20 -33.02 7.07 -8.31 -1.12 0
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234403 92298350 1 Cl2O2N3H11C13 A2B2C3D11E13 -8.31 2.42 -9.48 -0.86 0
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234404 92298351 2 ClNO2H8C9 ABC2D8E9 -88.11 4.75 -8.56 -0.82 0
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234405 92298352 1 SN2O2H22C23 AB2C2D22E23 24.59 6.21 -9.06 -0.43 0
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234406 92298356 1 N3O4H15C16 A3B4C15D16 -4.82 6.22 -9.26 -1.42 0
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234407 92298357 1 NO2C14H19 AB2C14D19 -73.47 3.3 -9.08 0.08 0
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234408 92298361 1 NO3C20H23 AB3C20D23 -103.13 3.67 -9.21 -0.23 0
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234409 92298364 2 NO3C4H8 AB3C4D8 -280.74 3.61 -10.2 0.12 0
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234410 92298368 1 NO2C13H19 AB2C13D19 -81.93 2.83 -8.62 0.27 0
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234411 92298376 1 IN2O2C15H19 AB2C2D15E19 -31.77 7.32 -9.09 -0.96 0
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234412 92298382 1 NOC19H27 ABC19D27 -63.06 3.39 -9.39 0.23 0
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234413 92298383 1 NOC21H23 ABC21D23 2.25 4.33 -9.09 -0.35 0
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234414 92298384 1 NO3C15H21 AB3C15D21 -111.47 3.86 -8.52 -0.09 0
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234415 92298391 1 O5C25H36 A5B25C36 -214.45 4.26 -9.4 -1.25 0
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234416 92298393 1 SN2O5C19H24 AB2C5D19E24 -140.1 3.97 -8.2 -1.03 0
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234417 92298395 1 N2O2C15H30 A2B2C15D30 -125.68 4.24 -8.81 0.96 0
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234418 92298396 1 N2O3C21H24 A2B3C21D24 -75.53 5.02 -8.65 -0.59 0
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234419 92298398 1 ClNO2C15H20 ABC2D15E20 -87.71 3.31 -9.14 -0.29 0
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234420 92298400 1 ClSN2O2C16H19 ABC2D2E16F19 -60.04 4.96 -8.89 -0.77 0
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234421 92298401 1 SO3N4C21H40 AB3C4D21E40 -176.14 2.8 -8.65 0.01 0
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234422 92298406 1 N2O4C15H20 A2B4C15D20 -84.98 7.05 -9.68 -1.3 0
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234423 92298407 1 ClNO2C15H20 ABC2D15E20 -85.89 3.5 -9.12 -0.27 0
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234424 92298408 1 NO3C16H23 AB3C16D23 -113.78 3.72 -8.65 0.0 0
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234425 92298411 1 NSO2F3C14H18 ABC2D3E14F18 -231.55 5.69 -9.54 -1.08 0
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234426 92298412 4 OC5H6 AB5C6 -132.23 3.46 -9.5 0.05 0
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234427 92298414 1 NO2C11H17 AB2C11D17 -93.13 7.16 -9.71 0.83 0
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234428 92298415 2 O2C3H6 A2B3C6 -197.06 3.84 -10.17 1.31 0
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234429 92298416 1 IO3C5H7 AB3C5D7 -113.81 5.22 -10.64 -1.9 0
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234430 92298421 1 IO3C5H7 AB3C5D7 -116.69 3.1 -10.42 -1.73 1
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234431 92298423 1 SN4O4C15H19 AB4C4D15E19 -79.59 7.66 0.0 0.0 0
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234432 92298424 1 N2O3C19H20 A2B3C19D20 -85.41 3.57 -8.64 -0.09 0
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234436 92298435 1 Cl2O2N3H11C13 A2B2C3D11E13 -5.55 3.67 -9.17 -0.64 0
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234437 92298436 2 ClNO2H8C9 ABC2D8E9 -89.52 3.22 -8.82 -0.82 0
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234438 92298437 1 SN2O2H22C23 AB2C2D22E23 25.7 5.42 -8.94 -0.53 0
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234439 92298439 1 SO2N3C21H25 AB2C3D21E25 -68.51 5.71 -8.82 -0.51 0
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234440 92298440 1 ClOSH13C15 ABCD13E15 1.27 0.7 -8.87 -0.89 0
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234441 92298442 1 NO3C20H23 AB3C20D23 -103.01 3.89 -9.38 -0.25 0
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234442 92298443 1 N2O5C22H24 A2B5C22D24 -131.24 3.35 -8.76 -0.5 0
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234443 92298444 1 FNO2C6H12 ABC2D6E12 -153.51 3.75 -9.99 0.38 0
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234444 92298445 2 NO3C4H8 AB3C4D8 -283.77 5.0 -10.19 0.16 0
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234445 92298447 1 NO2C13H19 AB2C13D19 -78.82 3.37 -8.55 0.26 0
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234446 92298448 2 NO3C4H8 AB3C4D8 -283.07 2.91 -9.9 0.31 0
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234447 92298451 1 NO2C13H19 AB2C13D19 -79.63 1.35 -8.48 0.44 0
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234448 92298457 1 NOC21H23 ABC21D23 3.63 4.11 -9.11 -0.3 0
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234449 92298458 1 NO3C15H21 AB3C15D21 -109.92 3.82 -8.48 -0.08 0
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234450 92298459 2 NO2C7H9 AB2C7D9 -78.38 6.47 -9.71 -1.33 0