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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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90401 49969472 3 N2O2C13H18 A2B2C13D18 -266.93 5.66 -8.69 -0.27 0
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90402 49969475 2 N3O3C17H23 A3B3C17D23 -239.8 14.22 -8.87 -0.37 0
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90403 49969495 1 FO5N6C41H51 AB5C6D41E51 -238.16 7.03 -8.94 -0.68 0
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90404 49969500 1 FO5N6C41H51 AB5C6D41E51 -238.19 5.33 -8.89 -0.33 0
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90405 49969503 1 O5N6C37H52 A5B6C37D52 -220.75 5.43 -8.86 -0.45 0
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90406 49969516 1 O5N6C33H44 A5B6C33D44 -215.96 10.86 -8.83 -0.77 0
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90407 49969519 1 O5N6C39H54 A5B6C39D54 -236.1 13.45 -8.68 -0.85 0
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90408 49969521 1 O5N6C37H52 A5B6C37D52 -233.62 10.81 -8.83 -0.84 0
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90409 49969537 1 ClO5N6C39H47 AB5C6D39E47 -195.25 5.53 -8.82 -0.51 0
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90410 49969550 1 O5N6C39H54 A5B6C39D54 -234.75 10.99 -8.82 -0.31 0
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90411 49969556 1 F2O5N6C39H46 A2B5C6D39E46 -274.99 10.37 -8.8 -0.71 0
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90412 49969557 1 F2O5N6C39H46 A2B5C6D39E46 -276.05 6.01 -8.86 -0.49 0
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90413 49969560 1 F2O5N6C39H46 A2B5C6D39E46 -273.52 4.95 -8.91 -0.77 0
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90414 49969584 1 ClO5N6C35H47 AB5C6D35E47 -232.2 4.69 -8.73 -0.26 0
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90415 49969585 1 ClO5N6C34H45 AB5C6D34E45 -226.32 13.28 -8.7 -0.6 0
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90416 49969586 1 O5N6C39H56 A5B6C39D56 -247.41 5.5 -8.88 -0.34 0
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90417 49969588 1 O5N6C39H56 A5B6C39D56 -241.1 9.26 -8.86 -0.22 0
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90418 49969591 1 F2O5N6C41H50 A2B5C6D41E50 -283.57 7.89 -8.81 -0.67 0
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90419 49969592 1 FO5N6C42H53 AB5C6D42E53 -251.28 9.19 -8.96 -0.49 0
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90420 49969593 1 FO5N6C42H53 AB5C6D42E53 -248.8 11.47 -9.07 -0.5 0
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90421 49969594 1 F2O5N6C41H50 A2B5C6D41E50 -286.71 3.75 -8.94 -0.62 0
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90423 49969598 1 FO5N6C40H49 AB5C6D40E49 -236.29 5.41 -8.68 -0.37 0
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90424 49969600 1 FO5N6C39H47 AB5C6D39E47 -233.34 8.9 -8.86 -0.64 0
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90425 49969601 1 F2O5N6C39H46 A2B5C6D39E46 -276.67 13.46 -8.92 -0.49 0
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90426 49969603 1 FO5N6C40H49 AB5C6D40E49 -238.29 11.63 -8.61 -0.51 0