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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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402730 135057041 1 OLi2C7H16 AB2C7D16 -74.64 12.17 -7.9 2.88 0
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402731 135057042 1 SiO2C13H20 AB2C13D20 -82.24 2.31 -8.79 0.33 0
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402732 135057043 1 O4C11H16 A4B11C16 -156.52 1.82 -9.35 0.37 0
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402733 135057045 1 ClSiO2C10H21 ABC2D10E21 -158.15 1.06 -8.98 -0.43 0
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402734 135057046 1 SO2C13H18 AB2C13D18 -85.98 1.17 -8.63 -0.22 0
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402735 135057064 1 BrClO2H8C11 ABC2D8E11 -51.47 6.13 -9.73 -1.32 0
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402736 135057071 1 OLi2C10H10 AB2C10D10 -43.86 7.35 -6.72 0.9 0
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402737 135057073 2 C3N4H8 A3B4C8 103.56 3.61 -8.57 0.85 0
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402738 135057088 1 O3C10H14 A3B10C14 -108.43 4.43 -8.76 -0.11 0
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402739 135057089 1 NO4C10H15 AB4C10D15 -168.71 2.89 -9.93 0.37 0
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402740 135057090 1 OSC13H18 ABC13D18 -34.15 3.15 -8.44 0.0 0
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402741 135057104 2 OC7H10 AB7C10 -90.72 1.7 -9.55 -0.48 0
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402742 135057105 2 O2C5H6 A2B5C6 -154.76 3.98 -9.86 -0.51 0
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402743 135057106 1 OC12H18 AB12C18 -10.63 2.43 -8.84 -0.13 0
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402744 135057107 1 NOSC9H11 ABCD9E11 17.48 1.27 -8.81 0.02 0
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402745 135057113 1 BO2C13H21 AB2C13D21 -91.97 4.93 -9.25 -0.04 0
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402746 135057115 1 OC13H18 AB13C18 -27.34 1.59 -9.37 0.35 0
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402747 135057120 1 ClN3C9H10 AB3C9D10 54.39 4.56 -10.24 -1.22 0
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402748 135057126 1 IO2C10H11 AB2C10D11 -37.78 1.82 -9.72 -1.66 0
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402749 135057127 1 OC14H18 AB14C18 -30.92 2.41 -9.16 0.41 0
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402750 135057132 1 OS2C8H18 AB2C8D18 -70.37 2.72 -8.32 -0.61 0
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402751 135057134 1 ClON2C12H15 ABC2D12E15 0.45 5.16 -8.66 -0.63 0
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402752 135057137 1 FO3H9C11 AB3C9D11 -127.61 4.14 -9.97 -0.76 0
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402753 135057138 1 BrSH11C13 ABC11D13 59.18 0.61 -8.86 -0.64 0
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402754 135057139 1 Cl2O2H12C13 A2B2C12D13 -74.86 3.61 -9.54 -0.48 0
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402755 135057140 1 ClFOC9H10 ABCD9E10 -87.35 2.6 -9.93 -0.19 0
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402756 135057143 1 O2C11H16 A2B11C16 -83.36 4.97 -8.88 -0.03 0
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402757 135057147 1 NPO3C10H22 ABC3D10E22 -186.64 6.0 -9.91 0.92 0
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402758 135057148 1 NSSiO4C9H19 ABCD4E9F19 -188.84 4.4 -9.95 -0.44 0
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402759 135057150 1 NOC10H13 ABC10D13 -13.26 2.67 -9.78 -0.29 0
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402760 135057152 1 BrOC11H13 ABC11D13 -16.33 3.32 -9.46 -0.18 0
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402761 135057153 1 NO3C10H17 AB3C10D17 -69.47 6.41 -10.19 -0.44 0
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402762 135057166 1 ClNF3C10H11 ABC3D10E11 -162.88 2.03 -10.52 -1.07 0
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402763 135057168 1 SN2O3H8C10 AB2C3D8E10 -20.02 5.59 -9.75 -1.0 0
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402764 135057176 1 NSO4C10H17 ABC4D10E17 -176.52 2.5 -9.05 -0.08 0
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402765 135057178 1 OC15H18 AB15C18 -29.73 5.25 -9.31 0.02 0
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402766 135057183 1 NO3C12H19 AB3C12D19 -130.19 2.5 -10.01 0.1 0
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402767 135057184 1 FOC12H21 ABC12D21 -117.15 1.21 -10.2 -0.36 0
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402768 135057190 1 O4C13H14 A4B13C14 -129.06 6.76 -9.03 -0.25 0
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402769 135057192 1 NOC13H17 ABC13D17 5.19 3.73 -9.13 0.54 0
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402770 135057193 1 FKO3C12H12 ABC3D12E12 -179.04 7.68 -9.32 0.08 0
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402771 135057194 1 FO3C12H13 AB3C12D13 -136.94 3.67 -9.96 -0.33 0
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402772 135057195 1 O3C12H22 A3B12C22 -163.41 2.25 -9.4 0.44 0
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402773 135057196 1 NO2C14H15 AB2C14D15 -35.17 3.04 -9.37 -0.1 0
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402774 135057212 1 SN2O3C12H12 AB2C3D12E12 -80.79 4.16 -9.18 -1.29 0
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402775 135057213 1 NCl3C9H16 AB3C9D16 -49.39 4.83 -10.22 -0.35 0
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402776 135057217 1 O2C13H16 A2B13C16 -68.1 1.94 -9.86 -0.62 0
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402778 135057223 1 BrO4H11C12 AB4C11D12 -114.28 3.18 -8.96 -0.91 0
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402779 135057225 1 O2C13H16 A2B13C16 -48.01 2.41 -9.12 -0.24 0
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402780 135057228 1 ClOSH11C14 ABCD11E14 31.07 2.89 -8.67 -0.69 0
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402781 135057230 1 NOSC12H25 ABCD12E25 -71.71 2.83 -8.06 0.68 0
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402782 135057245 1 ClO2C13H17 AB2C13D17 -86.51 2.02 -9.57 -0.3 0
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402783 135057259 1 C8H9N11 A8B9C11 233.07 3.62 -9.04 -1.88 0
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402784 135057269 1 O3C14H20 A3B14C20 -153.73 0.93 -9.17 0.15 0
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402785 135057279 2 O2C6H9 A2B6C9 -173.2 3.15 -9.47 -0.76 0
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402786 135057280 1 OC13H20 AB13C20 -40.29 1.41 -8.72 1.61 0
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402787 135057283 4 OC3H5 AB3C5 -193.97 2.63 -10.37 0.52 0
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402788 135057284 1 OSeC14H16 ABC14D16 -21.43 2.72 -8.54 -0.69 0
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402789 135057286 1 NPO3C10H20 ABC3D10E20 -166.97 2.52 -9.98 1.01 0
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402790 135057288 1 SiO3C11H24 AB3C11D24 -201.25 4.18 -9.52 0.8 0
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402791 135057291 1 SnC9H18 AB9C18 0.32 0.49 -8.56 1.01 1
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402792 135057292 1 NC5F5H7 AB5C5D7 -250.0 5.29 0.0 0.0 -1
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402793 135057293 1 NOH6C8 ABC6D8 64.83 3.82 0.0 0.0 0
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402794 135057294 1 O5C11H14 A5B11C14 -152.56 6.87 -10.42 -0.81 0
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402795 135057295 1 BrNSeC13H18 ABCD13E18 20.99 10.0 -8.8 -0.83 0
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402796 135057300 1 NO2C9H9 AB2C9D9 -4.34 4.25 -9.32 -1.25 0
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402797 135057303 1 NO2C17H21 AB2C17D21 -57.58 4.63 -8.62 -0.25 0
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402798 135057306 1 NO2C14H17 AB2C14D17 -73.68 4.85 -8.73 -0.32 0
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402799 135057309 1 NO2C18H25 AB2C18D25 -87.41 3.45 -8.7 -0.29 0
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402800 135057310 1 NO3C18H21 AB3C18D21 -86.36 3.28 -9.05 -0.69 0
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402801 135057313 1 NO2C13H19 AB2C13D19 -82.07 1.06 -8.75 -0.31 0
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402802 135057323 1 N2O4C25H28 A2B4C25D28 -135.52 6.73 -8.89 -0.78 0
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402803 135057337 1 OSN2H12C14 ABC2D12E14 45.46 1.66 -8.94 -1.08 0
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402804 135057341 1 O2N3C14H15 A2B3C14D15 -8.18 6.13 -9.32 -0.57 0
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402805 135057349 1 NO5C17H25 AB5C17D25 -192.76 4.76 -9.61 -2.38 0