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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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11787 121016 1 GeO2C5H14 AB2C5D14 -107.85 4.69 -10.7 0.68 0
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11788 121018 1 N3C7H13 A3B7C13 18.74 3.16 -8.56 1.03 0
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11789 121028 1 N2O2C11H16 A2B2C11D16 -66.78 3.06 -8.26 0.02 0
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11790 121032 1 ON2S2C12H16 AB2C2D12E16 10.32 7.26 -8.57 -0.36 0
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11791 121044 1 ClN2O2C19H21 AB2C2D19E21 -26.4 2.71 -8.66 -0.15 0
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11792 121046 1 ON3C28H31 AB3C28D31 52.0 2.29 -8.04 -0.11 0
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11793 121055 3 NH3C4 AB3C4 90.63 0.21 -10.56 -1.41 0
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11794 121085 1 NO3C20H33 AB3C20D33 -148.94 1.64 -8.7 0.11 0
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11795 121087 1 FN2O2C20H25 AB2C2D20E25 -67.92 2.14 -8.72 -0.11 0
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11796 121088 1 ClNO4C20H32 ABC4D20E32 -180.04 3.72 -8.67 0.05 0
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11797 121123 1 BrN3O4C15H22 AB3C4D15E22 -82.86 15.62 -8.61 -1.28 0
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11798 121142 1 OPS3C9H21 ABC3D9E21 -149.85 5.84 -9.26 -0.71 0
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11799 121167 2 OCl2N2C8H14 AB2C2D8E14 -122.13 7.29 -9.59 0.22 0
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11800 121177 2 ON2C11H21 AB2C11D21 19.94 0.61 -2.11 -0.89 2
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11801 121178 1 N5O7C28H31 A5B7C28D31 -176.15 3.82 -8.99 -0.89 0
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11802 121179 1 N4O4C9H12 A4B4C9D12 -119.07 5.3 -10.15 -0.84 0
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11803 121180 1 NO3C19H19 AB3C19D19 -53.14 6.38 -9.21 -0.88 0
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11804 121213 1 ClN3O3C14H18 AB3C3D14E18 -139.83 4.54 -8.94 -0.9 0
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11805 121263 1 ClO2N3C15H20 AB2C3D15E20 -110.52 5.61 -8.86 -0.94 0
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11806 121277 1 NO2C15H21 AB2C15D21 -84.26 3.26 -9.02 0.27 0
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11807 121305 1 ON3C13H19 AB3C13D19 -4.38 1.76 -9.05 0.18 0
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11808 121308 2 BrClNO2C22H24 ABCD2E22F24 -116.24 21.73 -7.55 -1.48 0
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11809 121311 2 NO2C22H25 AB2C22D25 -48.99 2.3 -7.66 -1.21 2
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11810 121329 2 ON2C13H25 AB2C13D25 -147.02 9.82 -8.32 1.24 0
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11811 121373 1 SO2N3C15H19 AB2C3D15E19 -33.58 2.6 -8.74 -1.12 0
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11813 121449 1 N6O6C15H22 A6B6C15D22 -143.18 8.27 -9.71 -0.93 0
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11814 121455 2 NO6C9H13 AB6C9D13 -517.38 6.28 -10.13 -0.43 0
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11815 121460 1 ClSN3O3C16H20 ABC3D3E16F20 -104.3 6.43 -9.01 -1.32 0
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11816 121464 1 ClNC18H22 ABC18D22 24.69 3.58 -8.72 0.06 0
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11817 121466 1 SCl2N3C12H21 AB2C3D12E21 -37.54 7.01 -9.08 -0.6 0
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11818 121468 1 ClN3O3C17H22 AB3C3D17E22 -147.61 1.82 -8.87 -0.82 0
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11819 121470 1 ClSO2N3C13H24 ABC2D3E13F24 -118.61 4.42 -8.68 -1.01 0
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11820 121471 1 SO2N3C13H23 AB2C3D13E23 -82.58 4.69 -8.87 -1.03 0
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11821 121472 1 ClSN3O3C14H18 ABC3D3E14F18 -114.64 7.22 -9.36 -1.39 0
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11822 121473 1 SN3O3C14H17 AB3C3D14E17 -73.81 3.5 -8.84 -1.23 0
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11823 121474 1 Na2O5C10H12 A2B5C10D12 -334.23 0.99 -9.13 0.99 0
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11824 121477 1 NO3C24H29 AB3C24D29 -86.72 1.26 -8.54 0.0 0
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11825 121478 1 ClNO6C17H22 ABC6D17E22 -210.46 5.09 -9.0 -0.94 0
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11826 121598 2 OC4H6 AB4C6 -77.27 2.16 -9.02 -0.25 0
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11827 121613 1 IH4C14F25 AB4C14D25 -1226.38 3.07 -10.09 -1.27 0
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11828 121624 1 OC10H10 AB10C10 -15.6 4.56 -9.43 -0.55 0
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11829 121632 1 ClO2S2N3C13H16 AB2C2D3E13F16 14.27 6.43 -9.11 -2.06 0
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11830 121633 1 O2S2N3C13H15 A2B2C3D13E15 48.57 6.03 -8.99 -2.1 0
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11831 121688 1 Cl3O4C15H19 A3B4C15D19 -187.19 3.13 -9.15 -0.8 0
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11832 121689 1 S2O3C4H10 A2B3C4D10 -142.56 3.4 -9.87 -0.72 0
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11833 121697 1 SN2O3C6H12 AB2C3D6E12 -142.06 5.32 -9.07 0.22 0
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11834 121698 1 N2O7C10H14 A2B7C10D14 -299.61 2.21 -10.33 -1.04 0
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11835 121711 2 NO2H3C5 AB2C3D5 -25.51 3.69 -9.93 -1.8 0
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11836 121723 1 BrO2C7H13 AB2C7D13 -114.42 5.69 -10.56 -0.14 0
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11837 121743 1 O6H12C13 A6B12C13 -208.23 5.51 -10.67 -1.34 0
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11839 121747 1 NaSN3O7H12C20 ABC3D7E12F20 -149.15 11.47 -9.53 -2.51 0
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11840 121758 1 NO2S2C7H15 AB2C2D7E15 -112.66 7.64 -9.13 -1.12 0
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11841 121761 1 ClNOC15H20 ABCD15E20 -40.42 3.58 -8.3 0.1 0
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11842 121824 1 TiF4 AB4 -362.73 0.02 -14.58 -2.79 0
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11843 121832 1 O3C20H32 A3B20C32 -134.84 3.39 -8.52 -0.27 0
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11844 121883 1 SN2O4C14H18 AB2C4D14E18 -127.26 7.1 -8.92 -0.56 0
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11845 121905 1 N3O6C20H21 A3B6C20D21 -194.02 4.82 -9.48 -1.04 0
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11846 121925 1 N5C11H13 A5B11C13 89.99 5.3 -8.18 -0.26 0
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11847 121980 1 N2O3S3C16H20 A2B3C3D16E20 -78.55 5.43 -8.52 -0.99 0
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11848 121986 1 AlO9H16C18 AB9C16D18 -187.31 6.68 0.0 0.0 1
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11849 121987 1 S2N6O9C35H38 A2B6C9D35E38 -247.56 4.0 -9.74 -0.75 0
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11850 121990 1 SP2N5O10C11H17 AB2C5D10E11F17 -502.47 3.15 -8.74 -0.71 0
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11851 121997 1 FN2O2C4H5 AB2C2D4E5 -131.84 3.84 -10.74 -0.34 0
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11852 122002 1 PN8O10C19H25 AB8C10D19E25 -415.34 13.42 -9.13 -0.72 0
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11853 122007 1 O4C21H34 A4B21C34 -196.38 6.0 -9.49 0.52 0
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11854 122027 1 N3O4C16H19 A3B4C16D19 -76.18 4.55 -9.43 -1.54 0
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11855 122032 1 ClN2O8C35H43 AB2C8D35E43 -297.95 6.59 -8.63 -0.12 0
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11856 122045 1 C5O6H10 A5B6C10 -271.34 4.56 -10.93 0.08 0
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11857 122058 1 SN2O4C5H8 AB2C4D5E8 -119.4 5.57 -9.66 -1.54 0
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11858 122060 1 FN2P3C9H14O15 AB2C3D9E14F15 -881.69 7.76 -10.14 -0.93 0
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11859 122068 1 ClON3C18H18 ABC3D18E18 11.97 7.74 -8.54 -0.7 0
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11860 122075 1 N4O6C37H48 A4B6C37D48 -203.21 11.67 -8.89 -1.44 0
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11861 122076 1 O2N4C33H44 A2B4C33D44 -35.26 8.95 -8.37 -0.33 0
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11862 122077 1 ClSN3O3H14C20 ABC3D3E14F20 -22.99 5.06 -9.14 -1.27 0
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11863 122078 1 NPO6C11H20 ABC6D11E20 -347.88 7.36 -9.75 0.49 0