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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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407462 135080178 1 OC13H20 AB13C20 -23.32 1.04 -8.46 0.7 1
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407463 135080179 1 FN2H8C9 AB2C8D9 36.42 2.11 0.0 0.0 0
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407465 135080181 1 NOF2C6H11 ABC2D6E11 -146.19 0.56 -9.56 2.04 0
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407466 135080182 1 ON2C13H14 AB2C13D14 17.94 2.26 -9.79 -0.82 0
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407467 135080183 1 O2H12C13 A2B12C13 -29.38 1.89 -9.73 -1.0 0
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407468 135080184 1 Cl2N2C13H14 A2B2C13D14 29.45 2.26 -9.23 -0.98 0
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407469 135080185 1 O4C9H14 A4B9C14 -160.54 1.01 -10.14 0.02 0
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407470 135080186 1 O4C7H14 A4B7C14 -199.55 0.85 -10.55 0.61 0
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407471 135080187 1 OC8H12 AB8C12 9.6 1.79 -8.9 0.71 0
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407472 135080188 2 OC7H9 AB7C9 -57.17 2.0 -9.4 -0.2 0
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407473 135080189 1 ClNOC12H14 ABCD12E14 -34.52 3.87 -9.24 -0.41 0
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407474 135080212 1 O2C15H22 A2B15C22 -76.6 6.46 -9.42 -1.53 0
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407475 135080213 2 OC7H8 AB7C8 -65.22 4.5 -9.77 -0.61 0
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407476 135080219 1 SSiC15H22 ABC15D22 14.86 1.68 -8.24 0.26 0
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407477 135080220 1 OTeH12C13 ABC12D13 58.0 3.02 -8.04 -0.36 0
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407478 135080221 2 N2H4C7 A2B4C7 128.8 5.51 -9.15 -1.14 0
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407479 135080222 1 IOSC14H15 ABCD14E15 9.95 2.0 -8.92 -1.11 0
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407480 135080223 2 O2C6H11 A2B6C11 -197.0 4.05 -10.34 0.42 0
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407481 135080226 1 Li2N2O2C11H14 A2B2C2D11E14 -113.03 4.71 -6.7 0.72 0
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407482 135080227 1 Li2N2O2C11H14 A2B2C2D11E14 -100.67 13.51 -6.52 0.86 0
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407483 135080228 1 O5C9H14 A5B9C14 -210.48 3.5 -10.75 0.19 0
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407484 135080229 1 NO2Si3C10H27 AB2C3D10E27 -284.23 2.26 -8.87 0.77 0
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407485 135080230 1 BO3C13H25 AB3C13D25 -252.45 4.38 -9.71 1.42 0
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407486 135080231 1 BrO2C13H15 AB2C13D15 -68.7 4.63 -9.9 -0.69 0
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407487 135080232 1 BrOC16H17 ABC16D17 0.18 4.07 -9.62 -0.48 0
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407488 135080233 1 N4H8C13 A4B8C13 156.04 4.5 -9.32 -1.33 0
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407489 135080234 1 ClO2N3C10H10 AB2C3D10E10 -53.56 1.49 -8.52 -1.01 0
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407490 135080235 1 OSiC13H18 ABC13D18 -46.61 3.23 -9.14 -0.15 0
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407491 135080236 2 ClOC5H5 ABC5D5 -76.57 0.55 -8.8 -0.14 0
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407492 135080237 1 N2Si2C9H18 A2B2C9D18 -32.6 4.8 -9.82 0.58 0
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407493 135080238 1 FC13H17 AB13C17 -26.67 2.0 -9.32 0.41 0
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407494 135080239 1 NSO4C7H17 ABC4D7E17 -201.24 11.12 -10.49 0.64 0
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407495 135080240 1 BrClO2C8H14 ABC2D8E14 -132.01 1.48 -10.34 -0.71 0
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407496 135080241 1 BrClOC9H10 ABCD9E10 -38.97 2.38 -9.87 -0.38 0
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407497 135080242 1 N2C13H22 A2B13C22 15.51 2.62 -8.82 0.15 0
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407498 135080243 2 NC7H12 AB7C12 -14.47 1.85 -8.44 1.33 0
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407499 135080244 1 BNOF3C7H17 ABCD3E7F17 -382.75 8.49 -10.99 0.94 -1
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407500 135080245 1 BNOF3C7H16 ABCD3E7F16 -342.92 8.51 0.0 0.0 0
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407501 135080246 1 NO2H11C12 AB2C11D12 -28.16 4.91 -8.95 -1.02 0
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407502 135080247 1 NOC15H21 ABC15D21 -50.84 3.9 -9.6 -0.2 0
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407503 135080248 1 NO4C8H9 AB4C8D9 -75.15 3.0 -10.21 -0.95 0
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407504 135080249 1 NO3C9H17 AB3C9D17 -122.44 2.28 -9.33 0.3 0
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407505 135080250 1 BrO2C14H17 AB2C14D17 -85.44 3.03 -9.71 -0.37 1
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407506 135080251 1 N2O2C11H11 A2B2C11D11 0.84 3.79 0.0 0.0 0
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407507 135080252 1 NSO2C11H19 ABC2D11E19 -75.54 3.37 -8.54 0.11 0
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407508 135080253 1 NO2C9H11 AB2C9D11 -28.76 5.12 -9.12 0.06 0
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407509 135080254 1 INC14H16 ABC14D16 44.12 2.07 -9.1 -0.92 0
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407510 135080255 1 NPO5C9H20 ABC5D9E20 -306.63 3.13 -9.7 0.62 0
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407511 135080256 1 PO5C8H11 AB5C8D11 -247.98 5.56 -9.16 -0.26 0
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407512 135080257 1 SO2N3H9C10 AB2C3D9E10 62.71 5.97 -8.83 -0.9 0