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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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232551 87576409 1 N2O5H20C21 A2B5C20D21 -161.69 11.12 -8.62 -1.24 0
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232552 87576410 1 SN2O4H26C30 AB2C4D26E30 -89.68 5.87 -8.77 -1.23 0
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232553 87576411 1 BrN2O4H21C22 AB2C4D21E22 -126.85 7.01 -8.92 -1.42 0
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232554 87576412 1 S2O7N11C55H55 A2B7C11D55E55 -71.55 4.65 -8.55 -1.07 0
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232555 87576413 1 SO4N6H30C31 AB4C6D30E31 -41.26 7.81 -8.46 -1.03 0
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232556 87576414 1 NO3C40H79 AB3C40D79 -308.97 5.28 -9.66 0.34 0
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232557 87576415 1 S2O7N11C55H55 A2B7C11D55E55 -68.53 4.1 -8.06 -1.0 0
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232558 87576419 1 PSC4H11 ABC4D11 -42.5 1.38 -9.15 0.3 0
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232559 87576420 1 O6N8C61H68 A6B8C61D68 -92.98 10.17 -8.77 -0.3 0
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232560 87576421 1 O3N4C29H32 A3B4C29D32 -53.34 3.87 -8.95 -0.44 0
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232561 87576422 1 SF2N3O6H21C26 AB2C3D6E21F26 -267.44 14.6 -8.71 -1.84 0
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232562 87576423 2 N2S4O10H47C54 A2B4C10D47E54 -398.48 8.89 -8.56 -2.25 0
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232563 87576426 1 ClO2N5C16H20 AB2C5D16E20 -34.18 5.18 -8.72 -0.42 0
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232564 87576430 1 F5O5H17C21 A5B5C17D21 -410.65 5.67 -9.81 -1.08 0
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232566 87576434 1 ClO2N6C18H23 AB2C6D18E23 -40.95 3.47 -8.8 -0.29 0
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232567 87576437 1 N3O5C18H25 A3B5C18D25 -201.84 3.78 -9.37 -0.98 0
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232568 87576439 1 ClSiO2N5C21H27 ABC2D5E21F27 -13.84 4.31 0.0 0.0 0
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232569 87576441 1 O2C19H38 A2B19C38 -178.51 1.5 -10.54 0.9 0
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232570 87576442 1 ClSiO2N5C21H28 ABC2D5E21F28 -61.5 3.55 -8.85 -0.94 0
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232571 87576444 1 ClSiO2N5C21H26 ABC2D5E21F26 -10.45 2.4 -7.42 -0.91 0
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232572 87576446 1 ClOSiN4C16H29 ABCD4E16F29 -95.73 2.84 -8.84 -0.24 0
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232573 87576447 1 BrO2C5H9 AB2C5D9 -86.26 4.68 -11.08 -1.3 0
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232574 87576449 1 ClO3N4F8H9C15 AB3C4D8E9F15 -465.67 5.2 -9.78 -1.64 0
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232575 87576450 1 SN3O4C7H9 AB3C4D7E9 -152.36 3.47 -9.9 -1.88 0
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232576 87576451 1 ClNO2C18H20 ABC2D18E20 -51.34 4.64 -8.85 -0.12 1
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232577 87576453 1 OPC12H20 ABC12D20 -3.19 1.35 0.0 0.0 0
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232578 87576454 1 SN2O5H30C31 AB2C5D30E31 -138.02 3.89 -8.9 -1.02 1
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232579 87576455 1 OPC12H20 ABC12D20 1.59 2.0 0.0 0.0 0
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232582 87576462 1 N2H5F7C11 A2B5C7D11 -308.2 5.68 -10.22 -1.44 0
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232583 87576463 1 ON2S2C7H14 AB2C2D7E14 6.93 11.1 -6.38 -0.13 0
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232584 87576464 2 FNO2H10C13 ABC2D10E13 -190.65 9.92 -9.0 -1.53 0
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232585 87576465 1 ClN2O2H3C6 AB2C2D3E6 28.27 4.65 -9.35 -1.48 0
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232586 87576466 1 N2O3H12C17 A2B3C12D17 33.66 2.82 -9.61 -1.62 1
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232587 87576470 1 PO4C8H18 AB4C8D18 -197.61 3.28 0.0 0.0 0
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232588 87576471 1 O2H18C29 A2B18C29 114.51 0.92 -8.7 -1.76 0
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232589 87576472 1 O3C14H16 A3B14C16 -96.05 2.79 -9.62 -0.26 0
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232590 87576473 2 PC26H35 AB26C35 -93.71 1.3 -8.05 -0.15 0
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232591 87576474 1 O3N5F7H14C18 A3B5C7D14E18 -426.94 5.28 -9.61 -1.19 0
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232592 87576475 1 OTeH8C10 ABC8D10 1.7 2.49 -8.41 -0.93 0
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232593 87576477 1 O4C17H30 A4B17C30 -196.87 6.02 -10.78 -0.36 0
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232594 87576478 1 OTeH6C9 ABC6D9 16.95 3.65 -8.54 -0.99 0
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232595 87576481 1 NSO6C9H15 ABC6D9E15 -232.17 4.1 -9.16 -0.38 0
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232596 87576483 1 NSO6C9H15 ABC6D9E15 -229.32 5.64 -9.04 -0.17 0
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232597 87576485 1 O3C10H24 A3B10C24 -158.74 2.22 -9.72 1.43 0
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232598 87576492 1 ISeH5C8 ABC5D8 60.03 1.91 -8.66 -0.97 0
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232599 87576493 1 OSeC11H12 ABC11D12 -15.09 2.64 -8.32 -0.11 0
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232600 87576496 1 ClN4C8H11 AB4C8D11 19.18 2.98 -8.92 -0.08 0
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232601 87576500 1 PS3N5O13C82H82 AB3C5D13E82F82 -319.85 5.74 -8.72 -0.37 0
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232602 87576501 1 SiO2C4Cl4H8 AB2C4D4E8 -253.88 5.9 -10.91 -0.84 0
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232603 87576502 1 SiO2Cl3C4H7 AB2C3D4E7 -219.4 4.8 -10.97 -0.83 0