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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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183690 77058611 2 NO2C7H8 AB2C7D8 -144.78 4.73 -8.96 -0.34 0
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183691 77058612 1 N3O5C12H13 A3B5C12D13 -133.65 7.66 -10.12 -2.55 0
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183692 77058644 1 BF19C26 AB19C26 -724.04 0.73 -10.31 -2.6 0
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183693 77058650 1 O38N41C136H223 A38B41C136D223 -1797.92 21.69 -8.23 -0.18 0
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183694 77058954 1 BN2O5C16H23 AB2C5D16E23 -195.31 6.63 -8.71 -0.82 0
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183695 77059057 1 NSO5C12H17 ABC5D12E17 -193.81 8.51 -10.08 -0.69 0
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183696 77059175 1 ON5C9H9 AB5C9D9 72.08 6.02 -9.5 -1.45 0
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183697 77059268 1 ClSN4H7C10 ABC4D7E10 127.15 1.14 -8.56 -2.42 0
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183698 77059269 1 SO2N6C11H18 AB2C6D11E18 6.08 1.03 -8.72 -1.65 0
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183699 77060125 1 F3N4C8H13 A3B4C8D13 -144.21 3.73 -8.92 0.16 0
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183700 77060146 1 SF3N3H6C8 AB3C3D6E8 -68.85 1.01 -9.07 -1.52 0
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183701 77060147 1 FSN3C9H10 ABC3D9E10 9.66 5.16 -8.78 -1.03 0
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183702 77060148 1 SN3C8H15 AB3C8D15 9.24 6.23 -8.54 -0.1 0
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183703 77060149 1 OSN3C6H13 ABC3D6E13 -18.5 4.41 -8.7 -0.4 0
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183704 77060150 1 SN3C11H21 AB3C11D21 -3.24 6.61 -8.51 -0.09 0
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183705 77060161 1 SO2C5N5H11 AB2C5D5E11 -45.59 2.92 -8.9 -0.52 0
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183706 77060162 1 OSN4C7H14 ABC4D7E14 -0.41 4.31 -8.76 -0.05 0
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183707 77060359 1 SN2O2C11H20 AB2C2D11E20 -119.23 3.14 -8.94 0.21 0
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183708 77060360 2 NOC8H11 ABC8D11 -50.1 3.82 -8.19 -0.09 0
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183709 77060440 1 SO2N5C8H13 AB2C5D8E13 2.23 6.66 -9.48 -1.38 0
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183710 77060644 1 SN4C5H10 AB4C5D10 46.81 4.12 -8.98 -0.56 0
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183711 77060801 1 S2N3C10H11 A2B3C10D11 71.41 1.71 -8.59 -0.48 0
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183712 77060856 1 S2O3N4C7H14 A2B3C4D7E14 -103.64 5.47 -9.19 -0.67 0
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183713 77060952 1 SN3C5H11 AB3C5D11 35.05 1.59 -8.66 -0.07 0
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183714 77060953 1 OSN3C4H11 ABC3D4E11 -13.64 1.63 -8.75 -0.02 1
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183715 77061372 1 N4O4C11H17 A4B4C11D17 -127.02 6.84 0.0 0.0 0
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183716 77061427 1 ON6C12H20 AB6C12D20 21.06 7.76 -9.01 0.87 0
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183717 77061428 1 ON6C10H18 AB6C10D18 0.14 7.51 -9.04 0.83 0
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183718 77061429 1 ON6C13H14 AB6C13D14 64.36 9.27 -9.05 -1.34 0
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183719 77061430 1 N5C10H19 A5B10C19 41.04 4.13 -8.71 0.57 0
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183720 77061431 1 ON6C13H22 AB6C13D22 -3.12 3.59 -9.05 0.39 0
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183721 77061991 1 O2N4C9H20 A2B4C9D20 -68.78 3.21 -8.94 0.92 0
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183722 77061992 1 O2N4C9H20 A2B4C9D20 -68.82 4.25 -8.92 0.86 0
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183723 77061993 1 OF2N3C13H19 AB2C3D13E19 -92.07 3.77 -9.06 -0.23 0
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183724 77061994 1 ON3C12H27 AB3C12D27 -43.86 2.75 -8.84 0.94 0
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183725 77061995 1 O2N3C12H25 A2B3C12D25 -73.83 3.68 -8.68 0.84 0
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183726 77061996 1 ON3C10H19 AB3C10D19 19.44 1.71 -8.99 0.89 0
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183727 77062582 1 N2O2F3C13H17 A2B2C3D13E17 -199.47 7.03 -9.28 -0.23 0
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183728 77062964 1 ON3C15H25 AB3C15D25 -3.14 2.3 -8.79 0.51 0
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183729 77063361 1 ClFN2O2C13H18 ABC2D2E13F18 -94.4 2.98 -9.01 -0.48 0
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183730 77063414 1 ClN3O4C13H18 AB3C4D13E18 -51.88 4.09 -9.15 -1.62 0
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183731 77063415 1 N2O3C15H24 A2B3C15D24 -83.52 1.71 -8.75 0.32 0
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183732 77063416 1 OSN2C14H22 ABC2D14E22 -4.28 1.79 -8.64 0.05 0
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183733 77063417 1 OSN5C9H17 ABC5D9E17 28.61 2.74 -9.09 -0.31 0
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183734 77063418 1 OS2N4C9H16 AB2C4D9E16 36.5 3.18 -9.06 -1.07 0
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183735 77063419 1 OSN2C10H22 ABC2D10E22 -42.8 2.78 -8.55 0.8 0
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183736 77063420 1 OSN4C15H20 ABC4D15E20 34.63 2.85 -9.0 -1.05 0
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183737 77063421 1 ON5C13H25 AB5C13D25 12.9 3.44 -9.07 0.8 0
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183738 77063422 1 ON5C12H23 AB5C12D23 10.54 4.26 -9.1 0.71 0
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183739 77063423 1 O2N3C13H27 A2B3C13D27 -71.82 2.23 -8.72 1.03 0