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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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225487 85852510 1 N3C14H17 A3B14C17 73.18 1.79 -7.42 0.14 1
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225488 85852511 1 C2F2H3 A2B2C3 -76.98 0.63 0.0 0.0 0
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225489 85852526 1 BrO3H17C18 AB3C17D18 -73.42 1.43 -9.12 -1.12 0
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225490 85852529 2 O2C17H22 A2B17C22 -184.51 5.42 -8.86 -0.54 0
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225491 85852543 1 ON3C24H25 AB3C24D25 58.12 7.68 -8.25 -0.21 0
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225492 85852545 1 SiCl2C16H20 AB2C16D20 -89.66 2.28 -9.27 -0.48 0
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225493 85852546 1 ClSiC22H25 ABC22D25 -31.08 1.89 -9.09 -0.4 0
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225494 85852548 1 OPSC22H45 ABCD22E45 -172.74 1.38 -8.48 0.48 0
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225495 85852549 1 INC15H16 ABC15D16 65.55 6.16 -7.91 -0.64 1
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225496 85852550 1 NC15H16 AB15C16 60.53 2.16 0.0 0.0 0
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225497 85852551 1 PS2C24H49 AB2C24D49 -149.97 1.52 -8.34 0.13 0
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225498 85852552 1 NPSC18H30 ABCD18E30 -60.5 1.16 -8.43 0.25 0
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225499 85852553 1 NH33C44 AB33C44 206.64 1.86 -8.62 -0.5 0
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225500 85852555 1 NOPC24H50 ABCD24E50 -172.82 1.27 -8.57 1.65 0
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225501 85852563 1 ClO4C9H11 AB4C9D11 -175.94 4.64 -9.16 -0.12 1
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225502 85852573 1 PN4O6C8H14 AB4C6D8E14 -282.94 3.67 0.0 0.0 0
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225503 85852583 1 N2O3C7H14 A2B3C7D14 -130.46 4.43 -9.65 0.37 0
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225504 85852585 1 NO3C16H17 AB3C16D17 -60.84 1.6 -9.39 -0.17 0
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225505 85852592 2 OC12H20 AB12C20 -139.73 3.15 -9.08 1.34 0
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225506 85852593 1 O5C25H42 A5B25C42 -298.45 4.44 -10.03 0.98 0
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225507 85852595 1 ClNO3C12H22 ABC3D12E22 -159.32 1.83 -8.74 -0.64 0
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225508 85852598 1 NH27C32 AB27C32 122.01 1.13 -7.99 0.06 0
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225509 85852601 1 NO3C20H25 AB3C20D25 -86.37 3.67 -8.51 -0.01 0
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225510 85852646 1 FNO4C11H12 ABC4D11E12 -198.22 6.05 -10.14 -0.58 0
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225511 85852662 3 FH9C10 AB9C10 -85.78 1.81 -9.05 -0.67 0
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225512 85852663 2 N4O5C14H21 A4B5C14D21 -455.95 11.81 -9.87 -0.15 0
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225513 85852667 5 FH5C6 AB5C6 -175.74 2.74 -9.49 -0.58 0
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225514 85852676 5 FH5C6 AB5C6 -172.61 1.39 -9.26 -0.62 0
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225515 85852677 1 BrN2C10H11 AB2C10D11 49.31 3.47 -8.5 0.29 0
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225516 85852678 1 NO2Cl3C12H14 AB2C3D12E14 -100.83 4.78 -9.3 -0.83 0
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225517 85852679 5 FH5C6 AB5C6 -174.83 3.98 -9.29 -0.81 0
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225518 85852680 1 O2C13H14 A2B13C14 -55.56 3.93 -8.76 -0.49 0
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225519 85852681 5 FH5C6 AB5C6 -176.44 3.28 -9.27 -0.76 0
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225520 85852685 6 FH4C5 AB4C5 -218.67 2.97 -9.32 -0.94 0
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225521 85852686 2 F2H13C15 A2B13C15 -128.73 3.21 -9.21 -0.76 0
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225522 85852706 6 FH4C5 AB4C5 -218.48 1.05 -9.44 -0.89 0
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225523 85852711 1 O3C10H12 A3B10C12 -106.53 3.09 -8.03 -0.03 0
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225524 85852713 2 F2H13C15 A2B13C15 -130.32 2.09 -9.23 -0.45 0
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225525 85852716 1 OF3H13C17 AB3C13D17 -139.69 4.44 -9.82 -0.53 0
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225526 85852717 1 N7O9C26H39 A7B9C26D39 -412.2 1.64 -9.73 -0.06 0
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225527 85852718 1 N2C5H10 A2B5C10 48.83 2.41 -8.93 1.46 0
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225528 85852725 1 O9N10C40H58 A9B10C40D58 -394.13 3.41 -9.34 -0.1 0
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225529 85852732 6 FH4C5 AB4C5 -222.17 4.83 -9.39 -1.04 0
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225530 85852757 1 ON4C18H26 AB4C18D26 -15.01 3.71 -8.68 0.05 0
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225531 85852758 6 FH4C5 AB4C5 -222.52 3.03 -9.43 -0.97 0
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225532 85852763 1 N2C5H8 A2B5C8 78.83 2.74 -8.74 0.36 0
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225533 85852764 3 FH9C10 AB9C10 -85.83 1.88 -9.19 -0.57 0
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225534 85852775 1 BaAl2Ge2H14 AB2C2D14 -608.96 4.16 -7.72 -1.6 0
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225535 85852781 1 NO3C19H23 AB3C19D23 -79.81 0.7 -8.52 0.1 0
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225536 85852784 1 La2Ni3Ge5H20 A2B3C5D20 -1499.49 7.38 -6.2 0.62 0