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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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45393 10512669 1 NO5C9H9 AB5C9D9 -123.81 3.82 -9.13 -0.77 0
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45394 10512681 1 NO3C11H17 AB3C11D17 -148.26 3.35 -9.56 -0.69 0
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45395 10512684 1 NSO2C10H13 ABC2D10E13 -66.06 3.67 -8.63 0.02 0
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45396 10512685 1 NO2C12H21 AB2C12D21 -56.36 3.08 -8.8 0.36 0
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45397 10512687 1 NO2C12H21 AB2C12D21 -77.78 3.21 -9.33 0.12 0
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45398 10512728 1 O3C12H20 A3B12C20 -76.86 1.19 -9.66 -0.05 0
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45399 10512756 1 N5C11H11 A5B11C11 93.86 3.82 -9.05 -0.71 0
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45400 10512763 1 NOC14H15 ABC14D15 -3.92 3.87 -9.1 0.36 1
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45401 10512780 1 N5C8H12 A5B8C12 71.37 2.08 0.0 0.0 0
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45402 10512782 1 NOC11H15 ABC11D15 -12.27 2.34 -9.14 0.19 0
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45403 10512812 2 OC7H7 AB7C7 -8.96 1.69 -9.29 -0.31 0
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45404 10512814 1 ON2C13H14 AB2C13D14 -1.84 9.08 -8.97 -0.4 0
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45405 10512815 1 ON2C13H14 AB2C13D14 10.67 6.1 -10.23 -1.53 0
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45406 10512824 1 OC15H18 AB15C18 -16.6 1.36 -8.6 -0.17 0
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45407 10512838 1 OC14H30 AB14C30 -118.31 2.12 -10.17 2.99 0
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45408 10512870 1 NOC14H17 ABC14D17 5.45 3.39 -9.87 -0.12 0
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45409 10512884 1 FO4C10H13 AB4C10D13 -205.84 1.29 -10.74 -1.43 0
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45410 10512889 1 O3H12C13 A3B12C13 -72.26 4.33 -8.76 -0.95 0
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45411 10512897 2 OC7H8 AB7C8 -73.21 5.33 -9.58 0.15 0
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45412 10512910 1 SN2C12H12 AB2C12D12 74.15 2.73 -9.26 -0.72 0
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45413 10512918 2 NC7H10 AB7C10 21.31 3.05 -8.12 0.19 0
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45414 10512919 2 NC7H10 AB7C10 64.71 4.79 -9.07 0.45 0
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45415 10512929 1 BrO2C8H9 AB2C8D9 -77.03 3.77 -9.24 -0.34 0
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45416 10512984 1 ON2F3C9H9 AB2C3D9E9 -152.0 9.49 -9.0 -1.21 0
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45417 10513000 1 O3C13H14 A3B13C14 -48.68 2.12 -8.58 -0.66 0
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45418 10513008 2 NOC6H7 ABC6D7 14.62 9.97 -8.97 -0.83 0
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45419 10513009 1 ON4C11H14 AB4C11D14 7.42 8.19 -9.22 -0.42 0
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45420 10513022 2 OC7H9 AB7C9 -68.48 4.07 -8.09 0.21 0
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45421 10513049 1 NO2F3H8C9 AB2C3D8E9 -204.16 3.11 -10.32 -0.99 0
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45422 10513054 1 N3O3H9C10 A3B3C9D10 -35.02 8.68 -9.4 -1.21 0
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45423 10513074 1 NO4C10H21 AB4C10D21 -223.01 2.2 -9.69 0.97 0
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45424 10513095 1 OF4H8C10 AB4C8D10 -218.68 2.71 -10.02 -1.0 0
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45425 10513111 1 O3C13H16 A3B13C16 -115.38 6.4 -9.51 -0.41 0
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45426 10513157 1 ClOC13H13 ABC13D13 -22.48 4.59 -9.56 -0.85 0
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45427 10513176 1 NO3C12H15 AB3C12D15 -98.35 2.9 -9.02 -0.32 0
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45428 10513194 1 NSC13H19 ABC13D19 7.57 1.02 -8.46 0.08 0
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45429 10513227 1 O3C13H18 A3B13C18 -99.56 2.35 -9.44 0.26 0
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45430 10513243 2 OC7H11 AB7C11 -95.84 3.46 -9.76 0.56 0
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45431 10513272 1 NO4C11H13 AB4C11D13 -149.07 3.3 -9.83 0.1 0
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45432 10513274 1 NO4C11H13 AB4C11D13 -150.3 6.45 -10.4 -0.71 0
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45433 10513284 1 NO2C13H21 AB2C13D21 -89.27 3.44 -8.96 0.05 0
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45434 10513286 1 NO2C13H21 AB2C13D21 -93.62 5.73 -9.03 0.08 0
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45435 10513322 2 ON2C5H8 AB2C5D8 -46.44 3.89 -9.71 -0.02 0
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45436 10513371 1 FNO3C11H12 ABC3D11E12 -166.52 2.88 -10.02 -0.67 0
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45437 10513376 1 NO4C11H15 AB4C11D15 -161.11 7.12 -8.58 -0.3 0
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45438 10513402 1 O5C11H14 A5B11C14 -226.05 4.61 -10.62 1.12 0
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45439 10513408 2 NO2C5H7 AB2C5D7 -154.75 5.43 -9.69 -0.49 0
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45440 10513432 1 N2O3C11H18 A2B3C11D18 -126.83 4.05 -9.82 0.31 0
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45441 10513466 1 ClN2O2C10H11 AB2C2D10E11 -37.37 7.2 -9.48 -0.53 0
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45442 10513476 1 O2N3H9C12 A2B3C9D12 18.14 10.77 -10.23 -1.17 0
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45443 10513491 1 NO2H13C14 AB2C13D14 20.65 1.41 -8.83 -0.4 0
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45444 10513510 1 ClNH10C14 ABC10D14 53.63 2.03 -8.6 -0.56 0
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45445 10513513 1 BrNO2H6C8 ABC2D6E8 -43.49 3.58 -8.33 -0.41 0
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45446 10513527 1 FO4C11H13 AB4C11D13 -193.99 4.55 -9.45 -0.42 0
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45447 10513532 1 O5C11H16 A5B11C16 -194.1 3.86 -9.72 -0.57 0
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45448 10513576 1 ClSO3C8H17 ABC3D8E17 -165.79 3.9 -11.18 -1.69 0
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45449 10513593 1 NO2C14H15 AB2C14D15 -16.41 3.32 -8.42 0.14 0
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45450 10513602 1 N3C14H19 A3B14C19 45.11 5.02 -8.11 0.44 0
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45451 10513661 1 SN2C13H14 AB2C13D14 63.71 5.4 -9.05 -0.5 0
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45452 10513665 1 N2C15H22 A2B15C22 9.71 2.25 -8.36 0.37 0
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45453 10513667 1 SiO3C11H22 AB3C11D22 -180.04 6.26 -9.53 0.41 0
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45454 10513684 1 NO3C13H13 AB3C13D13 -95.51 8.8 -8.96 -1.0 0
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45455 10513694 1 NO4C11H21 AB4C11D21 -210.19 2.43 -9.99 0.63 0
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45456 10513695 1 NO4C11H21 AB4C11D21 -225.74 6.22 -10.04 0.6 0
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45457 10513697 1 NO2C14H17 AB2C14D17 -60.57 3.6 -8.97 -0.24 0
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45458 10513700 1 NO2C14H17 AB2C14D17 -29.41 5.57 -9.67 -0.33 0
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45460 10513763 1 O2C15H20 A2B15C20 -72.2 1.16 -8.54 0.38 0
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45461 10513782 1 C17H28 A17B28 -13.14 0.88 -8.67 0.77 0
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45462 10513784 1 S3C10H16 A3B10C16 -19.68 5.63 -8.83 0.09 0
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45463 10513788 2 NC6H12 AB6C12 -31.24 2.28 -9.15 1.43 0
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45464 10513802 1 NO3C13H15 AB3C13D15 -100.89 2.92 -8.17 -0.08 0
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45465 10513806 1 FN3C13H16 AB3C13D16 12.01 3.6 -9.16 -0.17 0
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45467 10513825 1 NOC15H23 ABC15D23 -51.37 3.57 -9.13 0.34 0
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45468 10513895 1 NO4C12H13 AB4C12D13 -130.72 2.79 -10.04 -0.31 0
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45469 10513905 1 O2N5C10H13 A2B5C10D13 -19.07 8.32 -9.37 -0.78 0
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45470 10513923 1 NO2C14H21 AB2C14D21 -87.17 4.36 -9.46 -0.02 0
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45471 10513950 2 NO3C4H8 AB3C4D8 -250.55 4.13 -9.96 0.59 0
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45472 10513967 1 O4C13H16 A4B13C16 -154.83 2.45 -8.63 0.26 0
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45473 10513969 1 O4C13H16 A4B13C16 -161.88 3.55 -9.13 -0.5 0
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45474 10513970 2 OH6C8 AB6C8 52.69 1.1 -9.98 -1.3 0
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45475 10513984 1 O3C14H20 A3B14C20 -103.13 3.62 -9.59 0.14 0
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45476 10514001 1 O2C15H24 A2B15C24 -88.39 1.34 -8.73 -0.11 0
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45477 10514011 1 SSiC13H20 ABC13D20 -11.59 1.86 -8.05 0.2 0
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45478 10514035 1 ON3H11C14 AB3C11D14 60.64 7.75 -8.46 -0.92 0
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45479 10514041 1 O2N3C12H19 A2B3C12D19 -61.84 6.36 -9.11 -0.41 0
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45480 10514044 1 NSO2C12H15 ABC2D12E15 -49.08 4.32 -8.97 -0.52 0
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45481 10514045 1 OSN3C11H15 ABC3D11E15 45.53 5.0 -8.61 -0.87 0
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45482 10514049 1 ClNOF3H7C9 ABCD3E7F9 -200.48 7.56 -9.68 -0.9 0
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45483 10514060 1 O5C12H14 A5B12C14 -218.26 5.24 -10.67 0.02 0
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45484 10514062 1 O5C12H14 A5B12C14 -190.22 5.13 -9.91 -1.04 0
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45485 10514075 1 PO4C10H23 AB4C10D23 -278.59 3.73 -10.04 1.21 0
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45486 10514101 1 O3C14H22 A3B14C22 -125.58 2.67 -8.54 0.38 0
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45487 10514107 1 SO2C13H18 AB2C13D18 -82.22 1.78 -8.62 0.01 0
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45488 10514110 1 O2C15H26 A2B15C26 -133.39 3.19 -9.13 1.48 0
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45489 10514113 2 C9H11 A9B11 26.93 0.61 -8.76 -0.32 0
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45490 10514132 1 BrN4H7C8 AB4C7D8 104.67 5.32 -9.6 -0.96 0
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45491 10514142 1 O3N5C9H13 A3B5C9D13 -88.1 4.78 -10.14 -0.88 0
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45492 10514146 1 NO4C12H17 AB4C12D17 -161.28 3.57 -9.77 0.72 0
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45493 10514169 1 ClNO3H10C11 ABC3D10E11 -72.01 3.62 -9.54 -1.15 0
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45494 10514177 1 OF3H11C13 AB3C11D13 -148.11 7.17 -9.29 -1.53 0