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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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440950 135232419 1 PN3O7C27H33 AB3C7D27E33 -308.91 10.28 0.0 0.0 1
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440951 135232422 1 N2O3C26H29 A2B3C26D29 -82.21 7.82 0.0 0.0 1
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440952 135232426 1 N3O3C28H32 A3B3C28D32 -73.59 7.46 0.0 0.0 1
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440953 135232428 1 N2O5C29H33 A2B5C29D33 -149.21 3.93 0.0 0.0 1
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440954 135232432 1 N2O5C30H33 A2B5C30D33 -164.91 9.36 0.0 0.0 0
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440955 135232439 1 NO4H21C23 AB4C21D23 -90.64 9.34 -8.52 -1.33 0
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440956 135232444 1 NPSO8H16C20 ABCD8E16F20 -321.65 13.08 -8.7 -1.96 0
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440957 135232448 1 NO4H21C23 AB4C21D23 -109.6 18.36 -8.69 -1.81 0
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440958 135232453 1 NO6C26H27 AB6C26D27 -188.41 17.25 -8.58 -1.69 1
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440959 135232460 1 SN2O2H27C31 AB2C2D27E31 36.77 8.36 0.0 0.0 1
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440960 135232466 1 SN2O6C29H35 AB2C6D29E35 -216.2 3.69 0.0 0.0 0
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440961 135232468 1 SN3O8C41H51 AB3C8D41E51 -235.74 34.5 -8.26 -2.36 1
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440962 135232469 1 SN3O8C41H52 AB3C8D41E52 -308.03 3.63 0.0 0.0 0
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440963 135232492 1 NO2C16H23 AB2C16D23 -75.68 3.53 -7.36 0.04 0
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440964 135232494 1 NOC16H23 ABC16D23 -37.4 0.41 -7.67 0.43 0
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440965 135232502 1 NO4C18H25 AB4C18D25 -175.69 10.78 -8.48 -0.11 0
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440966 135232510 1 NO4H27C29 AB4C27D29 -90.96 10.92 -8.28 -1.32 0
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440967 135232512 1 NO3H29C30 AB3C29D30 -47.82 11.91 -8.27 -1.22 0
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440968 135232513 1 SN4C8H10 AB4C8D10 58.88 2.12 -9.05 -1.2 0
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440969 135232516 1 N3C12H17 A3B12C17 53.62 2.88 -8.2 -0.07 0
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440970 135232525 1 SO2N4H18C20 AB2C4D18E20 -14.65 7.17 -8.56 -0.92 0
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440971 135232531 1 SO3N5H23C27 AB3C5D23E27 -10.44 6.18 -8.28 -1.18 0
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440972 135232534 1 SN4O5C22H22 AB4C5D22E22 -144.36 5.61 -8.46 -1.22 0
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440973 135232538 1 SO2N6C26H26 AB2C6D26E26 18.83 6.87 -8.25 -0.64 0
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440974 135232539 1 SO3N5C22H25 AB3C5D22E25 -58.11 8.55 -8.19 -0.52 0
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440975 135232540 1 SO2N5C20H21 AB2C5D20E21 -12.4 7.82 -8.44 -0.73 0
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440976 135232542 1 N11C24H43 A11B24C43 76.23 4.31 -8.54 -0.48 0
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440979 135232563 1 NC17H25 AB17C25 -9.77 1.32 -8.48 0.51 0
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440980 135232572 1 FN3C12H12 AB3C12D12 38.28 1.73 -8.51 -0.66 0
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440981 135232574 2 NC7H10 AB7C10 25.86 1.4 -8.73 0.14 0
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440982 135232575 1 ON3C10H11 AB3C10D11 18.1 2.59 -8.91 -0.52 0
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440983 135232577 1 O3N6C23H24 A3B6C23D24 -12.86 5.39 -8.33 -0.72 0
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440984 135232581 1 N3C11H15 A3B11C15 36.86 1.86 -8.58 0.0 0
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440985 135232585 1 N2O2H30C49 A2B2C30D49 145.47 2.49 -8.07 -0.85 0
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440986 135232587 1 N2O2H34C49 A2B2C34D49 140.97 3.11 -7.93 -0.88 0
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440987 135232590 1 NO2H27C38 AB2C27D38 80.36 4.09 -8.52 -0.77 0
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440988 135232591 1 N3C15H23 A3B15C23 23.48 2.17 -8.78 -0.22 0
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440989 135232593 1 N2S2O6H30C49 A2B2C6D30E49 -10.86 10.61 -8.79 -1.47 0
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440990 135232594 1 SN3C9H11 AB3C9D11 35.6 5.69 -8.58 -0.65 0
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440991 135232595 1 NO2H31C50 AB2C31D50 138.52 4.07 -8.36 -0.9 0
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440992 135232601 1 Cl2O3N6H12C20 A2B3C6D12E20 46.32 2.99 -8.67 -1.6 0
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440993 135232604 1 SO3C7H10 AB3C7D10 -74.25 4.17 -10.57 -0.04 0
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440994 135232612 1 SN3C11H11 AB3C11D11 60.2 2.66 -8.5 -0.69 0
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440995 135232617 1 PF2N3O8C27H32 AB2C3D8E27F32 -468.15 5.76 -8.89 -0.62 0
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440996 135232619 1 PF2N3O8C26H34 AB2C3D8E26F34 -487.68 6.38 -9.45 -0.68 0
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440997 135232621 1 PF2N3O8C25H34 AB2C3D8E25F34 -490.19 7.84 -9.61 -0.56 0
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440998 135232622 1 PF2N4O9C23H37 AB2C4D9E23F37 -573.44 4.07 -9.78 -0.74 0
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440999 135232623 1 PF2N4O9C29H45 AB2C4D9E29F45 -590.0 3.51 -9.62 -0.57 0
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441000 135232632 1 PF2N4O8C22H29 AB2C4D8E22F29 -481.52 4.52 -9.47 -0.73 0
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441001 135232642 1 N4C9H12 A4B9C12 52.09 6.78 -8.58 -0.29 0