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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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141413 52874759 1 SO2N3C23H31 AB2C3D23E31 -72.48 7.21 -8.84 -0.84 0
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141414 52874854 1 O3N5C22H25 A3B5C22D25 -88.68 6.53 -8.87 -0.4 0
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141415 52874902 1 N2O3C22H26 A2B3C22D26 -74.46 2.37 -8.45 0.17 0
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141416 52874903 1 ClN2O3C21H23 AB2C3D21E23 -111.15 3.92 -8.72 -0.28 0
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141417 52874949 1 N4O5C23H26 A4B5C23D26 -146.63 7.08 -9.22 -0.77 1
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141418 52875035 1 OCl2N3C15H16 AB2C3D15E16 -6.86 9.94 0.0 0.0 1
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141419 52875036 1 N3O3C17H22 A3B3C17D22 -66.1 6.99 0.0 0.0 1
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141420 52875037 1 BrON3C15H17 ABC3D15E17 13.93 8.81 0.0 0.0 0
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141421 52875143 1 ClON5C20H24 ABC5D20E24 43.08 4.56 -7.75 -0.81 0
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141422 52875191 1 ClN4C17H25 AB4C17D25 26.6 7.94 -8.81 -0.67 0
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141423 52875575 1 ClNSO3C16H24 ABCD3E16F24 -135.59 4.42 -9.49 -0.64 0
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141424 52875826 1 NO5C10H11 AB5C10D11 -194.62 7.49 -9.32 -0.98 0
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141425 52876529 1 O3N6C20H26 A3B6C20D26 -35.07 5.3 -8.6 -0.22 0
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141426 52876530 1 FSO3N5C21H22 ABC3D5E21F22 -50.4 3.75 -9.58 -1.19 0
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141427 52876644 1 FOSN3C23H24 ABCD3E23F24 -17.28 4.42 -9.09 -1.08 0
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141428 52876822 1 ClON3C21H24 ABC3D21E24 -10.29 4.76 -8.47 -0.02 0
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141429 52876823 1 ClFOSN2H20C22 ABCDE2F20G22 -29.7 5.4 -9.2 -0.89 0
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141430 52876984 1 O2N5C26H35 A2B5C26D35 -62.28 9.28 -7.9 -0.51 0
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141431 52876994 1 ClN2S2O3C17H23 AB2C2D3E17F23 -130.3 6.29 -8.79 -0.32 0
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141432 52877076 1 F3N3O3C15H22 A3B3C3D15E22 -321.74 8.73 -9.65 0.42 1
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141433 52877175 1 BrN2O2C21H24 AB2C2D21E24 -20.18 4.74 0.0 0.0 0
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141434 52877378 1 Cl2O2N3C20H25 A2B2C3D20E25 -82.27 9.42 -9.33 -0.58 1
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141435 52877577 1 N3O3C28H36 A3B3C28D36 -64.97 8.01 0.0 0.0 0
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141436 52877674 1 ON2C15H24 AB2C15D24 -44.03 4.74 -8.96 1.29 0
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141437 52877768 1 OSN4C20H24 ABC4D20E24 4.14 8.4 -8.34 -0.9 0
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141438 52877867 1 ClNOSC15H18 ABCDE15F18 -7.8 1.36 -8.36 -0.68 0
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141439 52877868 2 NOC6H9 ABC6D9 -78.91 1.86 -8.57 0.1 0
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141440 52877869 2 NOC6H9 ABC6D9 -77.47 4.28 -8.73 -0.04 1
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141441 52877870 1 N3O3C26H36 A3B3C26D36 -106.41 5.39 0.0 0.0 0
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141442 52877871 1 N3O3C26H35 A3B3C26D35 -119.84 2.66 -9.04 0.31 1
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141443 52877872 1 N3O3C26H36 A3B3C26D36 -106.19 7.44 0.0 0.0 0
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141444 52877873 1 N3O3C26H35 A3B3C26D35 -121.94 4.64 -9.07 0.22 1
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141445 52877874 1 N3O3C26H36 A3B3C26D36 -110.97 7.08 0.0 0.0 0
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141446 52877875 1 N3O3C26H35 A3B3C26D35 -128.51 3.42 -8.7 0.01 1
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141447 52877876 1 ON2C14H21 AB2C14D21 -16.8 4.83 0.0 0.0 1
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141448 52878048 1 N3O3C21H34 A3B3C21D34 -91.06 2.52 0.0 0.0 0
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141449 52878479 1 ClSN4O5C20H21 ABC4D5E20F21 -160.92 5.35 -9.48 -0.86 0
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141450 52878480 1 ClS2N4O4H15C16 AB2C4D4E15F16 -115.13 4.31 -9.16 -1.11 0
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141451 52878481 1 ClS2N4O4H15C16 AB2C4D4E15F16 -113.63 2.94 -9.51 -0.87 0
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141452 52878482 1 ClSN3O5C21H24 ABC3D5E21F24 -156.84 2.86 -8.4 -0.76 0
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141453 52878483 1 ClSN3O5C21H24 ABC3D5E21F24 -156.05 4.33 -8.63 -0.75 0
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141454 52878516 1 NO4C13H21 AB4C13D21 -198.66 3.36 -9.65 0.52 0
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141455 52878536 1 ClSN3O3C14H14 ABC3D3E14F14 -91.36 2.76 -9.22 -1.14 0
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141456 52878644 1 S2N3O4C23H29 A2B3C4D23E29 -114.53 5.67 -9.11 -1.04 -1
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141457 52879222 1 ClO2S2N4C16H16 AB2C2D4E16F16 42.29 2.37 0.0 0.0 1
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141458 52879456 1 O2N4C18H29 A2B4C18D29 -48.15 4.44 0.0 0.0 0
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141459 52879457 2 ON2C9H14 AB2C9D14 -44.82 5.5 -8.89 -0.17 2
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141460 52879665 1 OCl2N4C21H30 AB2C4D21E30 81.53 17.89 -3.08 -1.39 0
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141461 52880083 1 F3N3O3H10C14 A3B3C3D10E14 -121.88 8.1 -9.79 -1.62 0
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141462 52880319 1 ClOSN5H16C18 ABCD5E16F18 107.75 5.36 -9.01 -1.02 0