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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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341509 127264202 1 BrClNC10H13 ABCD10E13 -20.09 3.22 -9.33 -0.41 0
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341510 127264203 1 NO4C15H25 AB4C15D25 -210.48 4.11 -9.65 0.59 0
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341511 127264204 1 BrCl2N2C8H11 AB2C2D8E11 -37.64 5.08 -9.56 -0.97 0
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341512 127264205 1 NO3C14H17 AB3C14D17 -92.25 4.09 -9.65 -0.01 0
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341513 127264206 1 N2O2C13H16 A2B2C13D16 -41.55 3.55 -9.49 0.12 0
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341514 127264207 1 ClN2O2C12H17 AB2C2D12E17 -88.56 3.92 -9.62 -0.29 0
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341515 127264208 1 NO4C14H25 AB4C14D25 -229.7 2.91 -9.56 0.98 0
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341516 127264209 2 O2C4H7 A2B4C7 -194.91 1.56 -10.11 0.47 0
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341517 127264210 1 ClNO2C10H18 ABC2D10E18 -125.65 2.8 -9.49 0.22 0
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341518 127264211 1 NO2C10H17 AB2C10D17 -86.43 2.93 -9.34 0.63 0
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341519 127264212 1 ClNO2C8H16 ABC2D8E16 -134.8 1.82 -9.08 1.1 0
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341520 127264213 1 NO3C14H19 AB3C14D19 -115.42 1.66 -9.17 0.29 0
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341521 127264214 1 BrNaN2O2H4C6 ABC2D2E4F6 -95.65 10.94 -9.38 -1.41 0
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341522 127264215 1 NO2C12H17 AB2C12D17 -39.77 2.14 -9.61 0.84 0
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341523 127264216 1 ClNO2C6H14 ABC2D6E14 -135.1 1.51 -9.46 0.9 0
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341524 127264217 2 NOC4H5 ABC4D5 -47.3 5.17 -9.83 -0.4 0
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341525 127264218 1 ClN4C9H15 AB4C9D15 11.34 3.95 -8.73 -0.2 0
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341526 127264219 1 ClNOC8H16 ABCD8E16 -80.62 5.14 -9.99 1.81 0
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341527 127264220 1 ClN2O2C14H27 AB2C2D14E27 -171.3 3.32 -9.04 0.93 0
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341528 127264221 2 NOC7H13 ABC7D13 -140.52 2.72 -8.96 0.89 0
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341529 127264222 1 ClNOC8H18 ABCD8E18 -104.72 6.81 -9.51 1.9 0
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341530 127264223 1 ClNOC5H10 ABCD5E10 -30.08 4.47 -9.29 1.56 0
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341531 127264224 1 ClNOC4H10 ABCD4E10 -54.05 3.27 -8.69 1.78 0
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341532 127264225 1 NCl2O2C6H15 AB2C2D6E15 -174.48 3.36 -9.98 0.79 0
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341533 127264226 1 ClNO2C7H14 ABC2D7E14 -133.58 4.34 -10.12 1.28 0
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341534 127264227 1 ClO2N3C7H10 AB2C3D7E10 -69.54 8.58 -9.97 -0.52 0
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341535 127264228 1 ClN2O2C12H25 AB2C2D12E25 -167.46 2.45 -9.32 1.04 0
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341536 127264229 1 ClNO2C7H14 ABC2D7E14 -135.4 4.7 -10.16 1.27 0
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341537 127264230 1 ClO2N3C8H12 AB2C3D8E12 -76.77 6.73 -10.18 -0.44 0
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341538 127264231 1 ClN2O2C12H25 AB2C2D12E25 -171.03 3.43 -9.3 1.08 0
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341539 127264232 1 ClNC8H16 ABC8D16 -41.78 5.87 -9.89 1.81 0
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341540 127264233 1 NO3C6H13 AB3C6D13 -138.85 7.77 -10.01 0.98 0
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341541 127264234 2 NO5C9H16 AB5C9D16 -485.64 13.9 -9.17 -0.5 0
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341542 127264235 1 NO2C7H13 AB2C7D13 -95.3 3.51 -9.28 1.81 0
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341543 127264236 1 ClOSN3C9H20 ABCD3E9F20 -97.94 4.01 -9.26 -0.49 0
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341544 127264237 1 ClON3C10H14 ABC3D10E14 -54.28 3.07 -8.01 -0.1 0
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341545 127264238 1 ClNSO3C11H16 ABCD3E11F16 -148.78 5.24 -9.7 -1.15 0
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341546 127264239 1 BN2O6C10H17 AB2C6D10E17 -325.82 10.59 -10.01 -0.76 0
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341547 127264240 1 ClFN3C7H7 ABC3D7E7 -28.29 3.91 -8.56 -0.7 0
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341548 127264241 1 ClN3C8H10 AB3C8D10 1.44 4.94 -8.41 -0.55 0
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341549 127264242 1 ClFN3C7H7 ABC3D7E7 -26.65 3.14 -8.5 -0.85 0
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341550 127264243 1 ClN4C7H9 AB4C7D9 15.91 2.95 -8.3 -0.62 0
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341551 127264244 1 O2N3C9H13 A2B3C9D13 -14.6 2.04 -9.78 0.36 0
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341552 127264245 1 ClNO2C11H14 ABC2D11E14 -114.32 6.1 -9.56 -0.04 0
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341553 127264246 1 NO4C15H19 AB4C15D19 -166.43 3.65 -9.62 -0.01 0
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341554 127264247 1 NO4C15H19 AB4C15D19 -166.44 3.66 -9.61 -0.01 0
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341555 127264248 1 BaP2C6H16O16 AB2C6D16E16 -1258.76 6.75 -10.75 -2.06 0
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341556 127264249 2 NC7H7 AB7C7 65.69 2.54 -7.3 -0.32 -2
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341558 127264251 2 ClNC2H4 ABC2D4 -24.47 4.45 -10.08 -0.37 1
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341559 127264252 1 IPPdC20H37 ABCD20E37 13.45 7.17 0.0 0.0 3