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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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227725 87562319 1 SN3O4C19H21 AB3C4D19E21 -72.84 7.48 -8.58 -1.23 0
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227726 87562320 2 Cl2N6O6H15C20 A2B6C6D15E20 -242.06 4.65 -9.47 -2.12 0
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227727 87562321 1 ClON4H11C14 ABC4D11E14 34.9 4.53 -9.04 -1.22 0
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227728 87562322 1 ClN4H13C14 AB4C13D14 76.35 4.96 -8.86 -0.82 1
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227729 87562325 1 F2N2O3H5C9 A2B2C3D5E9 -125.02 7.21 0.0 0.0 0
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227730 87562326 1 F2N2O3H4C9 A2B2C3D4E9 -118.93 6.52 -9.88 -1.01 1
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227731 87562327 1 F2N2O3H5C9 A2B2C3D5E9 -119.57 2.36 0.0 0.0 0
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227732 87562329 1 NP2S2C88H181 AB2C2D88E181 -539.98 9.06 -8.66 0.23 0
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227733 87562346 1 NO3C5H9 AB3C5D9 -126.55 8.17 -10.16 0.05 0
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227734 87562348 1 NO3C5H9 AB3C5D9 -125.98 3.63 -9.31 -0.09 0
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227735 87562358 1 F3N3O4C16H18 A3B3C4D16E18 -217.6 5.91 -8.92 -0.94 0
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227736 87562361 1 OSN2C4H4 ABC2D4E4 45.74 2.39 -9.41 -0.94 0
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227737 87562362 1 SSiO3C10H19 ABC3D10E19 -106.47 2.78 0.0 0.0 0
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227738 87562363 1 SSiO3C10H22 ABC3D10E22 -244.02 4.07 -8.13 0.55 0
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227739 87562365 1 ClO2N3H12C19 AB2C3D12E19 73.74 2.43 -9.38 -1.56 0
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227740 87562366 1 N3O4C9H17 A3B4C9D17 -179.69 4.88 -9.18 0.06 0
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227741 87562367 1 ClO3N5H18C19 AB3C5D18E19 -15.62 4.38 -9.8 -0.76 0
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227742 87562368 1 BrO2N6C17H21 AB2C6D17E21 -11.57 2.81 -8.97 -0.92 0
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227743 87562369 1 BrSiO2N4C29H29 ABC2D4E29F29 24.93 4.36 -8.65 -1.39 0
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227744 87562370 1 ClO2N3C11H12 AB2C3D11E12 -29.19 4.01 -9.2 -0.92 0
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227745 87562372 1 FO3H13C15 AB3C13D15 -49.24 1.57 -9.05 -0.25 0
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227746 87562373 1 NO3C10H21 AB3C10D21 -179.83 4.58 -9.51 0.92 0
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227747 87562374 1 N2O3C43H82 A2B3C43D82 -246.19 2.1 -8.8 0.15 0
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227748 87562376 1 S2N4O5C23H26 A2B4C5D23E26 -149.74 6.67 -9.26 -1.26 0
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227749 87562378 1 O3N5C25H25 A3B5C25D25 28.52 3.93 -9.22 -1.16 0