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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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89448 49961811 1 NO6H23C24 AB6C23D24 -165.11 3.15 -8.42 -0.66 0
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89449 49961814 1 SN2O5H14C19 AB2C5D14E19 -56.67 8.46 -9.29 -1.23 0
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89450 49961818 1 NO3H19C22 AB3C19D22 -61.08 1.87 -8.79 -0.69 0
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89451 49961820 1 N2O3H16C22 A2B3C16D22 -21.05 5.94 -9.09 -0.95 0
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89452 49961823 1 NSO3H19C22 ABC3D19E22 -52.59 2.66 -8.44 -0.79 0
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89453 49961838 1 N2O3H16C19 A2B3C16D19 -50.56 3.39 -8.52 -0.8 0
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89454 49961860 1 NO5H17C22 AB5C17D22 -116.21 2.2 -8.54 -0.79 0
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89455 49961870 1 Cl2O2N3H9C10 A2B2C3D9E10 -51.49 1.17 -9.47 -1.48 0
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89456 49961881 1 BrO2N3H12C14 AB2C3D12E14 -11.97 4.25 -9.42 -0.69 0
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89457 49961882 1 N3O5C17H19 A3B5C17D19 -125.0 5.23 -8.65 -0.49 0
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89458 49961892 1 BrSO2N3H10C12 ABC2D3E10F12 0.04 4.74 -9.45 -0.78 0
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89459 49961896 1 FO2N3H12C14 AB2C3D12E14 -61.78 4.18 -9.4 -0.64 0
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89460 49961907 1 Cl2O2N3H11C14 A2B2C3D11E14 -29.14 5.15 -9.44 -0.72 0
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89461 49961918 1 O2N3C15H15 A2B3C15D15 -23.64 2.49 -9.21 -0.49 0
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89462 49961925 1 SO3N5H21C24 AB3C5D21E24 33.0 5.94 -8.58 -1.66 0
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89463 49961932 1 O3N4C12H12 A3B4C12D12 -86.03 6.93 -9.3 -1.5 0
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89464 49961933 1 O3N4C12H12 A3B4C12D12 -86.45 7.3 -9.28 -1.45 0
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89465 49961934 1 ClN3O3H10C16 AB3C3D10E16 52.11 4.63 -8.93 -1.87 0
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89466 49961954 1 ON5H13C17 AB5C13D17 116.62 7.95 -8.68 -1.52 0
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89467 49961961 1 NNaO2C12H14 ABC2D12E14 -91.73 7.61 -8.91 0.28 0
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89468 49961989 1 N3O3C18H19 A3B3C18D19 -79.97 4.9 -8.53 0.04 0
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89469 49961991 1 N3O3C17H17 A3B3C17D17 -61.52 5.92 -8.46 0.01 0
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89470 49961995 1 SO2N3H13C14 AB2C3D13E14 -21.28 5.1 -8.67 -0.2 0
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89471 49962020 1 N2O3H22C26 A2B3C22D26 -39.89 4.06 -8.02 -0.7 0
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89472 49962024 1 Cl2N2O3H16C18 A2B2C3D16E18 -97.19 5.26 -8.77 -0.27 0
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89473 49962037 1 O2N3C17H17 A2B3C17D17 -34.91 5.37 -8.62 -0.19 0
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89474 49962041 1 N2O4H22C23 A2B4C22D23 -100.12 1.64 -8.46 -0.31 0
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89475 49962043 2 N2O2H7C8 A2B2C7D8 -33.02 5.66 -8.89 -1.01 0
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89476 49962045 1 O2N4H14C17 A2B4C14D17 4.66 9.89 -8.89 -0.48 0
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89477 49962048 1 N2O4C17H18 A2B4C17D18 -122.66 3.24 -8.56 -0.12 0
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89478 49962049 1 N3O4C18H19 A3B4C18D19 -102.24 5.04 -7.95 -0.24 0
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89479 49962050 2 N2O2H7C8 A2B2C7D8 -32.9 11.32 -9.0 -0.98 0
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89480 49962053 1 ClN2O3H17C18 AB2C3D17E18 -90.27 3.87 -8.66 -0.17 0
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89481 49962055 1 ON3H15C20 AB3C15D20 67.26 6.13 -8.69 -0.36 0
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89482 49962056 1 O3N4H12C16 A3B4C12D16 45.6 4.97 -8.83 -0.71 0
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89483 49962058 1 N3O3H13C17 A3B3C13D17 -15.51 6.14 -8.6 -0.32 -1
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89484 49962061 1 ClNOC8H15 ABCD8E15 -36.37 1.91 0.0 0.0 0
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89485 49962065 1 NOC12H23 ABC12D23 -48.67 2.33 -9.28 0.9 -1
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89486 49962066 1 ClNC18H23 ABC18D23 77.2 0.77 0.0 0.0 0
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89487 49962070 1 NOC12H23 ABC12D23 -51.27 2.78 -9.2 0.77 -1
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89488 49962071 1 ClNOC15H21 ABCD15E21 -9.69 3.57 0.0 0.0 -1
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89489 49962073 1 ClNC15H27 ABC15D27 8.83 2.12 0.0 0.0 0
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89490 49962074 1 NC15H27 AB15C27 -20.08 2.12 -8.96 1.28 -1
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89491 49962075 1 ClNC14H25 ABC14D25 19.87 1.54 0.0 0.0 -1
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89492 49962076 1 ClNC12H21 ABC12D21 30.16 1.29 0.0 0.0 -1
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89493 49962082 1 ClNC10H17 ABC10D17 32.02 1.82 0.0 0.0 -1
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89494 49962093 1 ClNC17H23 ABC17D23 47.59 1.28 0.0 0.0 -1
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89495 49962096 1 ClNC13H23 ABC13D23 18.2 1.67 0.0 0.0 -1
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89496 49962097 1 ClNC12H21 ABC12D21 36.19 2.45 0.0 0.0 0
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89497 49962104 1 N3O4H17C19 A3B4C17D19 -73.61 8.22 -8.68 -0.32 0
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89498 49962105 1 N2O5C18H18 A2B5C18D18 -133.96 5.44 -8.68 -0.41 0
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89499 49962111 1 OSN3H13C15 ABC3D13E15 42.37 5.92 -8.71 -0.21 0
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89500 49962116 1 ON3C19H19 AB3C19D19 22.05 5.58 -8.61 -0.2 0
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89501 49962127 1 OSN5C18H19 ABC5D18E19 67.12 5.58 -9.02 -1.2 0
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89502 49962129 1 SO4N5H17C18 AB4C5D17E18 -36.34 4.38 -8.68 -1.23 0
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89503 49962141 1 OSN5H17C23 ABC5D17E23 125.9 5.5 -8.31 -1.24 0
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89504 49962148 1 N3O3H23C24 A3B3C23D24 -40.01 5.48 -8.18 -0.52 0
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89505 49962163 1 S2O3N6C17H22 A2B3C6D17E22 -29.97 6.42 -8.66 -1.76 0
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89506 49962167 1 OSN6C17H18 ABC6D17E18 85.95 4.59 -8.11 -1.13 0
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89507 49962171 1 ClSO3N6H9C11 ABC3D6E9F11 58.61 0.73 -8.73 -2.06 0
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89508 49962191 1 BrNCl3H9C13 ABC3D9E13 24.56 3.96 -8.75 -0.94 0
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89509 49962192 1 BrNCl2H10C13 ABC2D10E13 33.54 5.17 -8.66 -0.57 0
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89510 49962199 1 BrClNH13C14 ABCD13E14 32.51 5.94 -8.55 -0.16 0
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89511 49962213 1 NOCl2C17H23 ABC2D17E23 -47.16 3.81 -8.89 -0.22 0
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89512 49962217 1 NOCl5H12C15 ABC5D12E15 -41.74 3.43 -8.84 -0.74 0
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89513 49962219 1 NOCl4H15C16 ABC4D15E16 -40.93 2.83 -8.98 -0.57 0
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89514 49962232 1 NCl2O2C17H19 AB2C2D17E19 -62.48 1.94 -8.41 -0.51 0
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89515 49962236 1 NOCl4H13C15 ABC4D13E15 -34.15 2.95 -8.77 -0.64 0
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89516 49962237 1 ClON2C21H21 ABC2D21E21 17.62 1.43 -8.1 -0.17 0
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89517 49962239 1 BrNOCl2H14C15 ABCD2E14F15 -13.42 3.35 -8.83 -0.34 0
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89518 49962240 1 ClNOC18H22 ABCD18E22 -34.72 1.52 -8.61 -0.13 0
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89519 49962241 1 NOCl3H14C15 ABC3D14E15 -26.64 3.66 -8.78 -0.38 0
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89520 49962243 1 NOCl3H14C15 ABC3D14E15 -31.18 2.54 -8.99 -0.44 0
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89521 49962244 1 ClNOC17H20 ABCD17E20 -29.58 2.93 -8.44 -0.07 0
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89522 49962245 1 ClNOC17H20 ABCD17E20 -26.4 2.41 -8.25 -0.1 0
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89523 49962246 1 NOCl2C16H17 ABC2D16E17 -26.76 2.28 -8.63 -0.2 0
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89524 49962249 1 ClNOC17H20 ABCD17E20 -13.29 3.28 -8.74 -0.04 0
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89525 49962250 1 ClNO2C16H18 ABC2D16E18 -51.34 3.12 -8.5 -0.13 0
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89526 49962251 1 NOCl4H11C14 ABC4D11E14 -28.49 3.38 -9.03 -0.71 0
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89527 49962263 1 ClNO3C16H18 ABC3D16E18 -78.46 3.58 -8.26 -0.24 0
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89528 49962265 1 ClNOC15H16 ABCD15E16 -9.2 1.86 -8.29 -0.23 0
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89529 49962270 1 ClNOC15H24 ABCD15E24 -58.2 3.74 -8.86 -0.09 0
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89530 49962277 1 BrClNOH13C14 ABCDE13F14 1.06 2.67 -8.65 -0.35 0
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89531 49962278 1 ClNOC16H22 ABCD16E22 -34.34 2.87 -8.9 -0.15 0
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89532 49962279 1 NOCl4H11C14 ABC4D11E14 -24.51 3.2 -8.8 -0.65 0
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89533 49962281 1 ClFNOH13C14 ABCDE13F14 -47.52 1.62 -8.63 -0.31 0
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89534 49962283 1 ClNOC16H18 ABCD16E18 -17.43 2.63 -8.27 -0.1 0
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89535 49962295 1 NOC20H21 ABC20D21 20.4 1.39 -8.46 -0.42 0
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89536 49962299 1 BrNOH16C18 ABCD16E18 26.03 3.63 -8.57 -0.59 0
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89537 49962305 1 NOCl3H12C14 ABC3D12E14 -18.78 2.26 -8.7 -0.64 0
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89538 49962308 1 NOCl2C16H21 ABC2D16E21 -41.87 3.06 -8.97 -0.46 0
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89539 49962309 1 ON2H22C24 AB2C22D24 50.68 2.6 -7.89 -0.53 0
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89540 49962312 1 NOCl3H14C18 ABC3D14E18 1.36 4.64 -8.7 -0.67 0
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89541 49962314 1 NOCl2C16H17 ABC2D16E17 -24.5 2.06 -8.28 -0.54 0
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89542 49962317 1 NOC21H23 ABC21D23 0.9 0.73 -8.53 -0.48 0
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89543 49962329 1 NOC20H21 ABC20D21 10.87 3.2 -8.04 -0.48 0
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89544 49962349 1 OSC11H14 ABC11D14 -21.88 1.68 -9.19 -0.66 0
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89545 49962382 1 OH20C22 AB20C22 37.24 1.75 -9.19 -0.21 0
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89546 49962436 1 OS2C12H12 AB2C12D12 12.73 2.77 -9.1 -0.59 0
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89547 49962467 1 OSiN2C13H18 ABC2D13E18 -38.95 4.53 -9.07 0.19 0