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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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227572 87562015 1 BrNO3C16H16 ABC3D16E16 -80.14 4.0 -9.22 -0.98 0
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227573 87562020 1 ClZnC3H3 ABC3D3 202.64 6.46 -7.02 -5.01 -1
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227574 87562021 1 ClZnC3H4 ABC3D4 119.91 2.45 0.0 0.0 0
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227575 87562022 1 PSN3O8C24H28 ABC3D8E24F28 -272.58 11.37 -9.39 -1.04 0
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227576 87562024 1 O3N5H21C23 A3B5C21D23 35.47 5.09 -9.09 -1.16 0
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227577 87562026 1 ClN3H16C22 AB3C16D22 136.86 4.61 -9.32 -1.48 0
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227578 87562027 1 ClN2O3H21C25 AB2C3D21E25 4.62 3.86 -8.94 -1.4 0
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227579 87562030 1 ClLiSO3H5C6 ABCD3E5F6 -132.77 6.48 0.0 0.0 0
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227580 87562031 1 ClN2O3C9H17 AB2C3D9E17 -168.36 6.73 -9.97 -0.13 0
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227581 87562036 1 BrFSO2N5C16H17 ABCD2E5F16G17 -39.47 1.19 -9.26 -1.14 0
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227582 87562037 1 ClFN2O3H8C11 ABC2D3E8F11 -93.02 3.11 -10.11 -1.2 0
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227583 87562040 1 NO2C15H23 AB2C15D23 -26.94 2.87 -8.99 -0.38 0
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227584 87562043 1 OF2N2C6H12 AB2C2D6E12 -137.15 1.95 -9.34 0.39 0
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227585 87562045 4 OC11H21 AB11C21 -338.77 2.66 -10.46 -0.85 0
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227586 87562046 4 OC11H21 AB11C21 -344.16 0.48 -10.58 -1.18 0
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227587 87562047 1 N4O4C27H34 A4B4C27D34 -137.19 5.47 -8.7 -1.5 0
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227588 87562048 1 BrNSO3H12C13 ABCD3E12F13 -68.26 3.59 -8.92 -1.13 0
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227589 87562049 1 NO3H15C22 AB3C15D22 24.44 4.14 -9.16 -1.37 0
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227590 87562053 1 ClFSO2N4C21H22 ABCD2E4F21G22 -58.37 7.98 -8.97 -1.02 0
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227591 87562054 1 ClFSO2N4C21H22 ABCD2E4F21G22 -52.51 8.34 -9.16 -1.2 0
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227592 87562058 1 O4N5C21H21 A4B5C21D21 -60.07 3.94 -8.35 -1.03 0
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227593 87562059 1 N2C7H14 A2B7C14 10.36 4.01 -8.87 1.28 0
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227594 87562061 1 O3N4F13C45H45 A3B4C13D45E45 -711.8 8.33 -7.82 -1.42 0
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227595 87562063 1 BBrO5C13H30 ABC5D13E30 -333.74 4.88 -9.38 -0.29 0
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227596 87562064 1 O2N3C21H25 A2B3C21D25 -29.13 6.93 -8.54 -0.66 0