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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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94349 49999812 1 FO5N6C44H57 AB5C6D44E57 -268.08 6.36 -8.79 -0.42 0
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94350 49999813 1 F2O5N6C43H54 A2B5C6D43E54 -296.99 11.32 -9.0 -0.41 0
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94351 49999814 1 O5N6C43H56 A5B6C43D56 -210.69 7.17 -8.79 -0.56 0
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94352 49999815 1 FO5N6C43H55 AB5C6D43E55 -256.44 10.97 -8.91 -0.42 0
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94353 49999818 1 ClO5N6C41H57 AB5C6D41E57 -253.29 2.42 -8.99 -0.6 0
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94354 49999947 1 O5N6C38H52 A5B6C38D52 -223.75 8.7 -8.74 -0.69 0
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94355 49999948 1 O5N6C39H54 A5B6C39D54 -233.1 12.28 -8.61 -0.81 0
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94356 49999967 1 O5N6C40H56 A5B6C40D56 -232.34 3.83 -9.01 -0.29 0
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94357 49999968 1 O5N6C41H58 A5B6C41D58 -240.15 3.81 -8.84 -0.21 0
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94359 49999980 1 FO5N6C41H51 AB5C6D41E51 -239.31 10.36 -8.75 -0.63 0
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94360 50000078 1 ClO5N6C39H53 AB5C6D39E53 -231.5 9.57 -9.14 -0.52 0
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94361 50000097 1 O5N6C40H56 A5B6C40D56 -229.25 10.53 -8.89 -0.53 0
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94362 50000106 1 F2O5N6C40H48 A2B5C6D40E48 -280.13 8.13 -9.12 -0.68 0
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94363 50000110 1 O5N6C41H52 A5B6C41D52 -199.85 6.07 -8.74 -0.68 0
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94364 50000112 1 F2O5N6C40H48 A2B5C6D40E48 -287.12 7.4 -8.87 -0.99 0
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94365 50000113 1 FO5N6C40H49 AB5C6D40E49 -240.63 6.58 -8.73 -0.92 0
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94366 50000122 1 N6O6C37H52 A6B6C37D52 -253.02 6.3 -8.84 -0.38 0
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94367 50000261 1 FO5N6C38H53 AB5C6D38E53 -288.84 6.33 -8.7 -0.37 0
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94368 50000268 1 ClO5N6C37H51 AB5C6D37E51 -251.45 4.14 -8.8 -0.32 0
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94369 50000285 1 O5N6C41H58 A5B6C41D58 -243.13 9.06 -9.2 -0.28 0
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94370 50000286 3 N2O2C13H18 A2B2C13D18 -266.28 9.41 -8.9 -0.4 0
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94371 50000287 1 O5N6C40H56 A5B6C40D56 -232.65 8.7 -9.12 -0.45 0
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94372 50000322 1 SO4N5C34H47 AB4C5D34E47 -180.76 3.05 -8.39 -0.13 0
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94373 50000354 1 ClO5N6C37H51 AB5C6D37E51 -247.36 6.62 -8.39 -0.4 0
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94374 50000355 1 ClO5N6C36H49 AB5C6D36E49 -243.54 9.57 -8.75 -0.57 0