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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
Show
200495 79400015 1 BrOSN2C12H13 ABCD2E12F13 14.93 1.95 -8.85 -0.63 0
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200496 79400145 1 BrOS2N3C8H8 ABC2D3E8F8 26.91 1.37 -9.14 -1.23 0
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200497 79400391 1 BrN2S2C10H11 AB2C2D10E11 41.04 4.8 -8.76 -0.56 0
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200498 79400392 1 BrSN2O2C7H11 ABC2D2E7F11 -72.15 4.9 -8.72 -0.56 0
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200499 79400914 1 O2N3C14H23 A2B3C14D23 -74.38 2.63 -9.02 0.66 0
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200500 79401008 1 ClON4C14H17 ABC4D14E17 6.17 3.82 -9.44 -0.68 0
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200501 79401147 1 SO2N4C11H16 AB2C4D11E16 -38.23 1.98 -9.78 -1.06 0
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200502 79401289 1 O2N3C13H23 A2B3C13D23 -90.0 6.53 -9.51 0.94 0
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200503 79401441 1 O2N3C13H23 A2B3C13D23 -93.09 4.61 -8.76 0.63 0
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200504 79401442 1 O2N3C12H21 A2B3C12D21 -92.26 5.65 -8.98 0.61 0
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200505 79401443 1 O2N3C11H21 A2B3C11D21 -95.69 4.54 -9.36 0.64 0
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200506 79401830 1 O2N3C13H25 A2B3C13D25 -103.05 3.72 -9.48 0.79 0
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200507 79401920 1 SN2O2C12H20 AB2C2D12E20 -89.12 6.97 -9.03 -0.4 0
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200508 79401982 1 O2S2N3C10H11 A2B2C3D10E11 -30.08 3.34 -9.31 -0.88 0
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200509 79402177 1 SO3N4C11H16 AB3C4D11E16 -90.64 6.63 -9.45 -0.9 0
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200510 79402178 1 SN3O3C10H15 AB3C3D10E15 -113.42 4.6 -9.62 -1.04 0
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200511 79402603 1 SO2N3H11C13 AB2C3D11E13 -3.51 4.28 -9.4 -1.2 0
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200512 79403264 1 FNSO3C13H16 ABCD3E13F16 -162.09 2.92 -8.67 -0.26 0
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200513 79403265 1 NSO3C11H15 ABC3D11E15 -116.27 2.4 -9.15 -0.17 0
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200514 79403919 1 OSC17H18 ABC17D18 -3.91 2.32 -8.35 0.07 0
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200515 79403920 1 OSBr2H12C14 ABC2D12E14 17.34 3.8 -8.93 -0.65 0
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200516 79403955 1 ClNO3C12H14 ABC3D12E14 -125.18 2.66 -9.66 -0.28 -1
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200517 79404270 1 BBr2O2F3H7C8 AB2C2D3E7F8 -291.28 1.92 0.0 0.0 0
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200518 79404383 1 O2N3C11H25 A2B3C11D25 -110.21 4.52 -8.78 1.12 0
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200519 79404907 1 OC15H20 AB15C20 -51.69 2.51 -8.94 0.4 0
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200520 79404908 1 ON2C15H20 AB2C15D20 -12.0 3.99 -8.64 -0.24 0
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200521 79404909 1 NF3C13H18 AB3C13D18 -161.51 4.92 -9.36 -0.38 0
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200522 79404910 1 NC18H39 AB18C39 -84.81 1.72 -8.84 3.19 0
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200523 79404937 1 OSN6C7H14 ABC6D7E14 29.04 5.37 -9.55 -0.74 0
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200524 79404988 1 SN3O3C10H19 AB3C3D10E19 -86.55 5.16 -10.2 -0.34 0
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200525 79405093 1 ClON3C12H14 ABC3D12E14 20.16 4.72 -8.86 -1.09 0
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200526 79405094 1 ON3C10H19 AB3C10D19 -15.57 3.47 -9.62 -0.17 0
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200527 79405095 1 ON3C12H23 AB3C12D23 -22.1 1.4 -9.37 -0.17 0
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200528 79405133 1 NC12H25 AB12C25 -28.38 2.16 -8.75 1.44 0
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200529 79405352 1 BrNSC12H20 ABCD12E20 1.68 3.77 -8.99 -0.12 0
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200530 79405386 1 SO2N3C14H25 AB2C3D14E25 -85.76 7.5 -9.29 0.43 0
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200531 79405402 1 Cl2N3C13H15 A2B3C13D15 33.53 5.72 -8.92 -0.44 0
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200532 79405480 1 NO2C13H17 AB2C13D17 -59.82 4.71 -9.22 -0.37 0
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200533 79405481 1 NO2C12H15 AB2C12D15 -40.4 3.73 -9.77 -0.84 0
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200534 79406055 1 SN3C12H17 AB3C12D17 43.23 2.3 -8.39 -0.08 0
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200535 79406483 2 NC7H15 AB7C15 -47.19 1.96 -8.3 2.69 0
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200536 79406878 2 NC9H15 AB9C15 -9.03 1.63 -8.56 0.42 0
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200537 79407612 2 NOC6H12 ABC6D12 -107.68 4.6 -8.74 0.66 0
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200538 79407659 1 N2O2F3C14H19 A2B2C3D14E19 -243.87 2.72 -9.32 -0.17 0
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200539 79408014 1 FON2C14H21 ABC2D14E21 -74.18 1.23 -8.33 -0.01 0
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200540 79408275 1 N2C13H28 A2B13C28 -35.64 1.58 -8.12 3.04 0
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200541 79408812 1 ON2C12H22 AB2C12D22 -33.97 2.46 -8.8 0.79 0
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200542 79408889 1 O2N4C9H18 A2B4C9D18 -81.06 4.75 -9.54 0.79 0
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200543 79409015 1 ON3C11H23 AB3C11D23 -33.96 4.06 -9.1 1.09 0
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200544 79409333 1 OSN3C13H23 ABC3D13E23 -24.65 3.39 -9.11 -0.29 0