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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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407566 135080313 2 NH6C7 AB6C7 65.58 4.15 -8.58 -0.49 0
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407567 135080314 1 C17H22 A17B22 49.6 0.2 -9.35 0.4 0
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407568 135080315 1 OC11H14 AB11C14 20.25 1.58 -8.78 0.94 0
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407569 135080317 2 NC4H6 AB4C6 14.42 5.31 -8.7 1.14 0
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407570 135080318 1 BrO2C14H27 AB2C14D27 -154.41 2.97 -10.29 0.13 0
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407571 135080319 1 ClON2C11H13 ABC2D11E13 -34.97 4.21 -9.0 -0.69 0
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407572 135080320 1 OCl2C10H12 AB2C10D12 -43.33 2.14 -9.56 0.08 0
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407573 135080321 1 O2C11H18 A2B11C18 -82.02 2.1 -9.59 0.33 0
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407574 135080322 1 FO2C10H11 AB2C10D11 -115.56 0.38 -9.53 0.22 0
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407575 135080323 1 OF2C10H10 AB2C10D10 -109.86 1.05 -9.82 -0.44 0
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407576 135080324 1 O2C11H18 A2B11C18 -102.8 7.78 -9.45 0.34 0
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407577 135080325 1 OC14H22 AB14C22 -29.59 1.07 -8.4 0.7 0
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407578 135080326 1 NO3C9H17 AB3C9D17 -161.82 6.78 -10.11 0.96 0
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407579 135080327 2 OC5H11 AB5C11 -146.58 0.22 -10.26 2.34 0
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407580 135080328 1 O2C15H22 A2B15C22 -98.15 1.79 -9.43 0.25 0
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407581 135080329 1 FO3C11H13 AB3C11D13 -165.24 4.65 -10.32 -0.9 0
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407582 135080330 2 OH4C6 AB4C6 21.33 3.19 -9.03 -1.03 0
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407583 135080331 1 ISH9C10 ABC9D10 51.36 2.68 -8.6 -0.82 0
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407584 135080332 2 OC6H7 AB6C7 -67.33 1.9 -9.41 0.18 0
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407585 135080333 1 NOC15H17 ABC15D17 18.62 2.95 -8.67 -0.37 0
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407586 135080334 1 BrNOH8C11 ABCD8E11 15.02 6.21 -8.39 -1.25 0
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407587 135080335 1 SO2C14H18 AB2C14D18 -42.63 6.7 -9.99 -0.45 0
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407588 135080336 1 PO4C11H15 AB4C11D15 -206.0 4.92 -10.14 -0.4 0
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407589 135080337 1 O2C11H16 A2B11C16 -89.03 5.32 -10.31 0.2 0
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407590 135080338 1 OC15H30 AB15C30 -112.55 2.01 -10.17 2.89 0
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407591 135080339 1 C15H28 A15B28 -28.53 0.43 -9.42 1.28 0
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407592 135080341 1 N3O3C10H11 A3B3C10D11 -32.31 9.19 -9.12 -1.55 0
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407593 135080342 1 ON2H14C15 AB2C14D15 31.57 1.17 -8.55 -0.17 0
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407594 135080343 1 NOC13H15 ABC13D15 -35.13 4.44 -8.65 0.23 0
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407595 135080344 1 ON2C8H8 AB2C8D8 36.88 3.74 -9.25 -0.65 0
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407596 135080345 1 Li2N2O2C11H14 A2B2C2D11E14 -112.6 6.38 -6.51 1.38 0
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407597 135080346 1 NO2C9H15 AB2C9D15 -89.54 4.93 -9.55 0.36 0
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407598 135080347 1 ON2C13H18 AB2C13D18 -26.38 3.03 -8.36 0.14 0
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407599 135080348 2 C5H6 A5B6 91.23 0.06 -9.23 0.34 0
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407601 135080350 1 NSiC12H17 ABC12D17 19.44 1.23 -8.81 -0.51 0
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407602 135080351 1 NSiC9H15 ABC9D15 -5.11 4.62 -9.13 1.2 0
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407604 135080353 1 OF3C11H11 AB3C11D11 -162.25 2.04 -9.68 0.08 0
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407605 135080354 1 BrNO3H12C13 ABC3D12E13 -91.05 5.9 -9.15 -1.11 0
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407606 135080355 1 FO2C12H13 AB2C12D13 -109.28 1.82 -9.67 -0.03 0
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407607 135080356 1 FC13H17 AB13C17 -33.0 1.84 -9.16 0.47 0
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407608 135080357 1 NSO4C9H21 ABC4D9E21 -204.91 8.85 -10.73 0.26 0
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407609 135080358 1 BrClOC5H10 ABCD5E10 -81.0 2.0 -10.54 -0.63 0
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407610 135080359 1 ClNOC11H14 ABCD11E14 -51.05 3.22 -9.54 -0.29 0
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407611 135080360 1 BrSN2C13H13 ABC2D13E13 78.77 3.52 -8.82 -0.32 0
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407612 135080361 1 N2C13H20 A2B13C20 45.48 2.36 -8.94 -0.2 0
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407613 135080362 1 ON2C7H8 AB2C7D8 18.55 5.09 -10.64 -0.1 0
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407614 135080363 1 ON4C13H16 AB4C13D16 10.21 2.19 -9.52 -0.19 0
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407615 135080364 1 O2C11H12 A2B11C12 -56.42 3.29 -9.51 0.23 0
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407616 135080365 2 OC8H11 AB8C11 -89.74 3.53 -9.56 0.14 0
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407617 135080366 1 O2C13H20 A2B13C20 -99.65 2.83 -9.53 0.24 1
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407618 135080367 1 NC11H16 AB11C16 10.91 2.5 0.0 0.0 0
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407619 135080368 1 PO3C12H17 AB3C12D17 -137.15 2.1 -9.67 0.09 0
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407620 135080369 1 O3C10H16 A3B10C16 -110.43 3.93 -10.59 0.67 0
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407621 135080370 1 OC16H32 AB16C32 -116.66 2.07 -10.08 2.9 0
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407622 135080371 1 O2C13H24 A2B13C24 -134.89 3.14 -9.6 2.28 0
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407623 135080372 1 OSiC15H24 ABC15D24 -59.93 3.41 -9.12 0.24 1
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407624 135080373 1 BP2O3C10H24 AB2C3D10E24 -195.09 6.33 0.0 0.0 0
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407625 135080374 1 O2H14C15 A2B14C15 -9.4 3.75 -9.8 -0.9 0
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407627 135080376 1 NC13H17 AB13C17 31.72 1.49 -8.7 0.44 0
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407628 135080377 1 NOC7H9 ABC7D9 23.26 4.09 -10.5 -0.32 0
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407629 135080378 1 SC16H20 AB16C20 16.56 1.11 -8.56 -0.37 0
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407631 135080380 1 ClN3C9H10 AB3C9D10 32.4 2.47 -8.2 -0.42 0
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407632 135080381 1 BrC9H13 AB9C13 42.87 1.83 -10.17 -0.44 0
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407633 135080382 1 OF3C11H11 AB3C11D11 -169.83 4.1 -9.5 -0.15 0
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407634 135080383 1 O2N3C11H11 A2B3C11D11 47.09 8.23 -9.24 -2.32 0
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407635 135080384 1 SiC14H18 AB14C18 38.23 0.86 -9.17 0.22 0
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407636 135080385 1 FO2C12H15 AB2C12D15 -132.76 1.93 -9.12 0.08 0
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407637 135080386 1 NOF4C11H17 ABC4D11E17 -278.0 4.9 -10.09 0.1 1
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407638 135080387 1 N3H8C10 A3B8C10 106.4 4.94 0.0 0.0 0
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407639 135080389 1 BrClOC10H18 ABCD10E18 -83.98 5.1 -9.49 -0.24 0
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407640 135080390 2 NC6H6 AB6C6 77.46 2.87 -8.55 -0.2 0
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407641 135080391 1 FN2O2H11C12 AB2C2D11E12 -68.6 1.77 -9.77 -1.08 0
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407642 135080392 2 NF2H3C5 AB2C3D5 -138.72 1.74 -9.91 -1.18 0
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407643 135080393 1 NO3C12H13 AB3C12D13 -92.92 3.6 -9.55 -0.98 0
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407644 135080394 1 NO3C7H13 AB3C7D13 -114.46 4.05 -9.3 0.32 0
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407645 135080395 1 ON4C13H16 AB4C13D16 6.65 2.57 -9.6 -0.33 0
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407646 135080396 1 NO3C11H15 AB3C11D15 -76.89 2.82 -10.9 -0.39 0
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407647 135080397 1 NO3C13H21 AB3C13D21 -130.68 2.28 -9.37 0.39 0
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407648 135080398 1 BrNO2H10C11 ABC2D10E11 -36.4 5.05 -10.14 -1.14 0
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407649 135080399 2 OC7H9 AB7C9 -37.97 6.36 -9.65 0.59 0
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407650 135080400 1 OTeC10H10 ABC10D10 13.01 2.23 -8.13 -0.45 0
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407651 135080401 1 O4C13H24 A4B13C24 -232.42 4.96 -9.87 1.5 0
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407653 135080403 2 C7H10 A7B10 7.18 0.79 -9.23 0.52 0
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407654 135080404 2 C8H11 A8B11 21.42 0.54 -9.18 0.5 1
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407655 135080405 1 BP2O5C7H18 AB2C5D7E18 -268.33 4.25 0.0 0.0 0
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407656 135080406 3 OC4H6 AB4C6 -125.44 2.57 -9.84 0.56 0
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407657 135080407 1 N2O3C10H10 A2B3C10D10 -72.65 11.28 -8.25 -1.16 0
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407658 135080408 1 N2O2C11H12 A2B2C11D12 -50.74 3.15 -9.02 -0.4 0
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407659 135080409 1 BNO2C13H26 ABC2D13E26 -173.03 1.51 -8.35 0.85 0
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407660 135080410 1 OC16H18 AB16C18 -1.56 2.84 -9.5 -0.34 0
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407661 135080411 1 N2C11H16 A2B11C16 54.06 2.2 -9.2 -0.08 1
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407663 135080414 1 ON2H12C14 AB2C12D14 19.39 5.9 -8.25 -0.74 0
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407664 135080415 2 ClOC5H6 ABC5D6 -91.75 2.66 -9.76 -0.23 0
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407665 135080416 1 FO3C8H15 AB3C8D15 -216.85 2.55 -10.6 0.51 0
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407666 135080417 1 ClOH11C14 ABC11D14 18.65 4.07 -8.73 -0.41 0
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407667 135080418 1 FOC11H13 ABC11D13 -70.82 1.91 -9.56 0.19 0
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407669 135080420 1 ClO2F3H8C10 AB2C3D8E10 -224.16 3.3 -9.04 -0.44 1
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407670 135080421 1 N2O2C12H13 A2B2C12D13 -17.96 3.6 0.0 0.0 1
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407671 135080422 1 N2C13H17 A2B13C17 52.18 0.98 0.0 0.0 0
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407672 135080423 1 O3C12H16 A3B12C16 -130.68 1.06 -9.3 0.27 0