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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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381080 134971713 1 LiNOH2C3 ABCD2E3 -9.27 3.01 -8.56 1.07 0
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381081 134971714 1 NOC3H3 ABC3D3 19.93 2.14 -9.69 0.0 0
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381083 134971718 2 BC2H2 AB2C2 182.83 1.57 -8.01 -0.5 0
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381084 134971719 1 B2H2C3 A2B2C3 192.98 2.87 -8.18 0.16 0
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381085 134971721 2 N2C7H15 A2B7C15 -11.86 1.88 -8.26 2.45 0
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381086 134971722 1 SO2N4C10H10 AB2C4D10E10 41.43 3.06 -8.87 -1.26 0
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381087 134971723 1 O2C13H22 A2B13C22 -74.36 3.43 -9.32 0.66 0
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381088 134971724 2 O5C28H29 A5B28C29 -247.05 4.34 -8.47 -0.17 0
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381089 134971725 1 O6H44C49 A6B44C49 -88.57 1.47 -8.59 -0.06 0
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381090 134971727 2 NO3C12H16 AB3C12D16 -264.06 6.18 -9.13 -0.68 0
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381091 134971729 1 N2O5C17H20 A2B5C17D20 -163.95 2.66 -9.32 -1.23 0
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381092 134971731 1 SC14H20 AB14C20 42.27 3.03 -8.02 0.47 0
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381093 134971733 1 SiO4C16H32 AB4C16D32 -230.77 1.74 -8.8 0.6 0
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381094 134971736 1 NC10H21 AB10C21 -21.36 1.41 -8.62 1.32 0
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381095 134971737 1 SiN2O5C27H30 AB2C5D27E30 -144.3 3.48 -9.06 -0.96 0
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381096 134971738 2 NOSC8H10 ABCD8E10 -32.95 5.35 -8.91 -1.18 0
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381097 134971739 1 NO2H13C17 AB2C13D17 -15.44 4.52 -8.26 -1.26 1
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381098 134971740 1 INO10C33H33 ABC10D33E33 -377.54 5.44 0.0 0.0 0
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381099 134971741 1 ClO6C11H21 AB6C11D21 -262.95 2.7 -9.76 -0.09 0
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381101 134971743 1 O2N4C11H24 A2B4C11D24 -110.79 4.62 -9.11 1.02 0
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381102 134971745 1 N4O6C31H40 A4B6C31D40 -240.58 3.67 -8.95 -0.51 0
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381103 134971746 1 O3N4H12C13 A3B4C12D13 74.98 8.21 -10.27 -1.4 1
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381104 134971747 1 O3N4C13H13 A3B4C13D13 87.99 5.31 0.0 0.0 1
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381105 134971748 1 O8C24H31 A8B24C31 -197.49 1.48 0.0 0.0 0
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381106 134971750 1 ON2C19H22 AB2C19D22 25.71 2.04 -9.47 0.02 0
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381107 134971751 1 ON2C19H20 AB2C19D20 54.85 1.67 -9.54 0.0 0
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381108 134971752 1 OC9H16 AB9C16 -64.03 2.26 -9.96 1.0 0
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381109 134971753 1 O2C13H16 A2B13C16 -41.96 2.31 -9.3 -0.05 -1
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381110 134971754 1 NO2C11H14 AB2C11D14 -26.53 3.96 0.0 0.0 0
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381111 134971756 1 SO6N7C30H41 AB6C7D30E41 -201.06 5.3 -9.04 -0.68 0
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381112 134971757 1 BCl2C7H11 AB2C7D11 -83.93 3.05 -9.45 -0.36 0
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381113 134971758 1 BO2C15H27 AB2C15D27 -157.15 1.66 -9.49 1.29 -1
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381114 134971761 1 RuC2H5O5 AB2C5D5 -64.28 1.57 0.0 0.0 0
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381115 134971762 1 NO4C9H13 AB4C9D13 -116.34 1.99 -9.96 -0.79 0
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381116 134971764 1 N4O4C21H44 A4B4C21D44 -251.21 4.15 -8.99 0.9 0
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381117 134971765 1 N5O7C38H67 A5B7C38D67 -405.4 9.71 -8.71 0.17 0
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381118 134971766 1 ON3C20H37 AB3C20D37 -97.44 2.56 -8.74 1.27 0
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381119 134971767 1 N4O4C39H64 A4B4C39D64 -263.36 1.11 -8.86 0.48 0
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381120 134971768 1 SO2N4C10H10 AB2C4D10E10 41.2 5.09 -9.12 -1.02 0
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381121 134971769 1 O2C13H22 A2B13C22 -93.7 2.0 -9.53 0.63 0
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381122 134971770 1 NOLi2C9H9 ABC2D9E9 -57.29 7.34 -7.31 0.84 0
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381123 134971771 1 NOLi2C9H9 ABC2D9E9 -58.26 6.22 -7.28 0.84 0
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381124 134971772 1 SC14H20 AB14C20 43.22 3.1 -7.86 0.47 0
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381125 134971773 1 NSO4C16H23 ABC4D16E23 -179.5 4.99 -9.64 -0.4 0
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381126 134971774 2 NO2C8H12 AB2C8D12 -186.47 2.4 -8.4 0.12 0
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381127 134971775 1 NO3C10H19 AB3C10D19 -137.89 2.62 -9.06 0.09 0
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381128 134971777 1 BrNO5C18H22 ABC5D18E22 -187.92 4.71 -9.76 -0.52 0
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381130 134971779 1 O5C12H22 A5B12C22 -263.95 4.14 -9.7 0.35 0
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381131 134971780 1 O2N4H8C9 A2B4C8D9 41.37 2.17 -9.44 -1.44 0
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381132 134971781 1 O2N4H8C9 A2B4C8D9 41.89 4.26 -9.63 -1.44 -1