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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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396417 135028377 1 NOH17C20 ABC17D20 32.62 4.39 -9.05 -0.87 0
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396418 135028389 1 OSiC12H23 ABC12D23 -58.43 1.62 0.0 0.0 0
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396419 135028392 2 OH9C15 AB9C15 125.81 0.35 -8.38 -1.44 0
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396420 135028394 2 OH9C15 AB9C15 125.44 3.01 -8.23 -1.47 0
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396421 135028395 3 BrOH5C10 ABC5D10 65.36 0.19 -8.67 -1.03 0
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396422 135028396 1 NOC19H19 ABC19D19 38.82 5.67 -8.76 -0.23 0
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396423 135028397 1 N2O2C13H16 A2B2C13D16 -28.08 1.33 -9.33 -0.65 0
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396424 135028401 1 O6H22C23 A6B22C23 -143.19 4.87 -8.51 -0.71 0
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396425 135028402 1 O9C26H30 A9B26C30 -304.4 3.21 -8.52 -1.08 0
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396426 135028403 1 O9C26H32 A9B26C32 -342.42 4.56 -8.52 -0.21 0
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396427 135028404 1 NO6C21H23 AB6C21D23 -210.51 4.29 -8.74 -0.67 0
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396428 135028405 1 NO6C21H23 AB6C21D23 -133.66 5.37 -8.51 -0.79 1
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396429 135028406 1 NO6C21H24 AB6C21D24 -188.81 2.35 0.0 0.0 0
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396430 135028407 1 NO7C22H27 AB7C22D27 -229.39 6.55 -8.54 -1.07 -4
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396431 135028409 1 MnPO5H23C24 ABC5D23E24 62.17 6.09 0.0 0.0 0
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396432 135028410 1 SO5C6H12 AB5C6D12 -236.01 4.16 -9.7 -0.23 0
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396433 135028412 2 S2O3C21H27 A2B3C21D27 -222.12 2.11 -7.65 -1.18 0
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396434 135028413 1 SiN2O2C25H36 AB2C2D25E36 -40.88 3.02 -9.09 -0.12 0
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396435 135028414 1 ON2C12H18 AB2C12D18 -34.28 3.18 -8.93 0.37 0
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396436 135028415 1 O3C20H28 A3B20C28 -85.73 3.24 -9.32 0.37 0
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396437 135028416 1 NBr2O3C16H19 AB2C3D16E19 -48.05 5.0 -9.63 -1.63 1
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396438 135028417 1 NSiO6C33H48 ABC6D33E48 -278.86 3.72 0.0 0.0 0
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396439 135028418 1 NSiO6C33H47 ABC6D33E47 -265.62 2.2 -8.85 0.2 0
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396440 135028419 2 O2C10H11 A2B10C11 -153.69 4.08 -9.75 -0.63 1
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396441 135028420 1 NH8C13 AB8C13 108.34 2.85 0.0 0.0 0
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396442 135028421 2 O2N3C21H22 A2B3C21D22 84.14 3.57 -9.47 -0.39 0
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396443 135028422 1 ON3H7C8 AB3C7D8 66.78 4.88 -8.73 -0.57 0
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396444 135028424 1 O2N3H21C27 A2B3C21D27 58.5 9.41 -8.89 -0.81 0
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396445 135028425 1 O2N3H21C27 A2B3C21D27 55.16 6.04 -8.77 -0.78 0
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396446 135028426 1 O2N3H21C27 A2B3C21D27 42.83 8.35 -8.53 -0.46 0
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396447 135028427 1 BrNC14H20 ABC14D20 42.81 2.74 -8.84 0.03 0
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396448 135028428 1 NO4C26H33 AB4C26D33 -114.71 2.57 -9.46 0.01 0
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396449 135028430 1 NO2C14H17 AB2C14D17 -78.52 2.45 -8.59 0.05 0
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396450 135028433 1 BrS2N4O4H27C28 AB2C4D4E27F28 3.6 11.04 -9.3 -1.02 0
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396451 135028434 1 SN3O3H17C19 AB3C3D17E19 16.72 9.38 -9.72 -0.7 0
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396452 135028435 1 SO2N3H21C23 AB2C3D21E23 58.94 8.65 -9.43 -0.66 0
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396453 135028436 1 SO2N3C15H15 AB2C3D15E15 24.55 7.37 -9.86 -0.32 0
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396454 135028438 1 SO2N3C25H27 AB2C3D25E27 25.94 5.75 -9.6 -0.6 0
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396455 135028439 1 SO2N3H19C21 AB2C3D19E21 47.23 8.99 -9.77 -0.64 0
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396456 135028440 1 SO2N3H15C16 AB2C3D15E16 52.42 5.51 -10.05 -0.57 0
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396457 135028450 1 O2C17H30 A2B17C30 -133.21 1.99 -9.39 2.18 0
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396458 135028452 1 OSC15H20 ABC15D20 -31.8 3.17 -8.94 -0.17 0
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396459 135028453 2 FC5H5 AB5C5 -66.5 2.28 -9.63 0.14 0
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396460 135028460 1 O5C17H22 A5B17C22 -195.9 4.04 -10.04 -0.47 0
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396461 135028465 1 NO5C22H37 AB5C22D37 -256.86 3.38 -9.3 -0.02 0
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396462 135028469 1 SiO5C18H30 AB5C18D30 -244.64 1.17 -8.97 0.19 0
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396463 135028472 1 N3O7C14H23 A3B7C14D23 -273.2 2.63 -10.42 -0.53 0
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396464 135028477 1 OF2H10C16 AB2C10D16 -55.35 1.62 -8.63 -0.9 0
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396465 135028483 1 O4C13H18 A4B13C18 -124.13 1.55 -8.81 0.23 0
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396466 135028489 1 NO5C23H25 AB5C23D25 -138.38 6.52 -9.23 -1.02 0
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396467 135028495 1 BrO2H15C18 AB2C15D18 -15.53 3.22 -9.64 -0.53 0
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396468 135028504 2 N2O3H9C13 A2B3C9D13 -35.95 7.35 -10.06 -1.58 0
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396469 135028506 1 ON2C12H20 AB2C12D20 -6.65 1.67 -9.33 0.28 -1
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396470 135028512 1 OPdSiC9H12 ABCD9E12 -17.73 2.98 -7.01 0.96 0
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396471 135028516 2 OC12H13 AB12C13 -29.55 3.58 -8.82 -0.04 0
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396472 135028517 1 IN2O3H5C7 AB2C3D5E7 -1.96 3.17 -9.92 -1.77 0
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396473 135028519 1 NOC19H25 ABC19D25 17.84 3.91 -8.74 0.3 1
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396474 135028521 1 N3O5C24H32 A3B5C24D32 -127.12 5.39 0.0 0.0 0
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396475 135028524 1 C17H20 A17B20 106.16 1.27 -8.27 -0.4 0
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396476 135028527 1 ORhC18H18 ABC18D18 130.38 11.2 0.0 0.0 0
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396477 135028543 1 ON2H14C17 AB2C14D17 61.41 1.03 -9.36 -0.84 0
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396478 135028544 2 NOH8C9 ABC8D9 19.72 2.47 -8.81 -0.81 0
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396479 135028545 1 ON3H13C16 AB3C13D16 71.84 2.79 -9.58 -1.08 0
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396482 135028552 2 O2C11H15 A2B11C15 -148.03 7.92 -9.59 -0.41 0
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396484 135028567 1 NF4O4H21C23 AB4C4D21E23 -332.08 3.64 -9.36 -0.7 0
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396485 135028569 1 SiO4C22H26 AB4C22D26 -118.1 2.94 -9.12 -0.76 0
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396486 135028572 1 O4C19H22 A4B19C22 -109.84 1.53 -9.05 -0.13 0
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396487 135028573 4 OH4C5 AB4C5 -54.58 5.45 -9.0 -0.8 0
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396488 135028575 2 O3H10C11 A3B10C11 -133.35 1.71 -8.29 -0.35 0
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396489 135028576 1 NO6H15C20 AB6C15D20 -55.13 10.65 -9.56 -1.68 0
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396490 135028577 1 NO4H17C23 AB4C17D23 -26.29 7.71 -9.09 -1.13 0
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396491 135028578 1 SO4H14C18 AB4C14D18 -50.63 5.46 -8.91 -0.92 0
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396492 135028583 1 N3O4C21H21 A3B4C21D21 -57.24 4.04 -8.54 -0.58 0
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396493 135028585 1 O2N3H19C23 A2B3C19D23 42.07 4.2 -8.7 -0.97 0
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396494 135028586 1 O2N3C17H21 A2B3C17D21 -24.62 4.04 -9.18 -0.66 0