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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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47960 10536050 1 OS2C9H12 AB2C9D12 -23.98 1.26 -8.71 -0.25 0
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47961 10536052 2 N2C5H12 A2B5C12 -0.19 2.2 -8.47 2.59 0
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47962 10536053 1 OSC11H20 ABC11D20 -68.46 0.65 -8.6 0.72 0
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47963 10536062 1 ClN2C10H17 AB2C10D17 -19.57 4.56 -9.84 -0.13 0
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47964 10536063 1 ClC12H21 AB12C21 -32.1 2.93 -9.3 0.53 0
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47965 10536070 1 NO2H11C12 AB2C11D12 12.78 3.98 -9.65 -0.58 0
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47966 10536071 1 NO2H11C12 AB2C11D12 -44.55 7.72 -9.09 -0.57 0
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47967 10536072 1 NO2H11C12 AB2C11D12 51.67 3.32 -9.36 -1.05 0
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47968 10536075 1 ON3C11H11 AB3C11D11 44.79 6.41 -9.96 -0.82 1
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47969 10536076 1 FNH12C13 ABC12D13 79.57 7.34 -7.51 -1.89 0
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47970 10536083 1 NC14H19 AB14C19 66.14 1.78 -9.68 -0.08 0
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47971 10536084 1 NC14H19 AB14C19 46.57 1.2 -8.8 0.39 0
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47972 10536087 1 ClN3O3H4C6 AB3C3D4E6 -11.08 5.57 -10.92 -2.14 0
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47973 10536092 1 N2O5C7H10 A2B5C7D10 -213.16 3.86 -10.54 -0.65 0
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47974 10536095 1 O5C9H14 A5B9C14 -225.07 0.96 -10.41 -0.37 0
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47975 10536098 1 O3H10C12 A3B10C12 -52.04 3.71 -9.66 -0.62 0
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47976 10536099 1 O3H10C12 A3B10C12 -63.65 5.12 -10.0 -0.93 0
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47977 10536102 1 N2O2H10C11 A2B2C10D11 -13.02 3.4 -9.23 -1.25 0
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47978 10536111 1 O2C13H14 A2B13C14 -23.67 1.75 -9.69 0.01 0
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47979 10536115 1 ON2C12H14 AB2C12D14 -4.98 1.29 -9.1 -0.58 0
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47980 10536122 1 O3C11H22 A3B11C22 -182.91 1.7 -10.27 0.9 0
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47981 10536124 1 OC14H18 AB14C18 -17.81 2.98 -9.95 -0.43 0
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47982 10536127 1 OC14H18 AB14C18 -48.65 3.41 -9.27 0.36 0
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47983 10536128 1 OC14H18 AB14C18 -53.25 2.01 -8.23 0.5 0
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47984 10536153 1 ON3C11H13 AB3C11D13 9.0 3.82 -7.95 0.09 0
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47985 10536162 1 ClNO4H6C7 ABC4D6E7 -110.15 3.42 -11.13 -1.12 0
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47986 10536181 1 N2O2C11H12 A2B2C11D12 -40.71 3.92 -9.12 -0.31 0
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47987 10536184 1 N2O2C11H12 A2B2C11D12 -38.52 7.52 -9.23 -0.48 0
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47988 10536193 1 O2C13H16 A2B13C16 -34.62 0.7 -9.25 -0.03 0
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47989 10536204 1 OC14H20 AB14C20 -48.98 5.51 -9.71 0.08 0
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47990 10536207 1 SO2C10H20 AB2C10D20 -78.83 2.76 -8.39 0.61 0
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47991 10536208 3 C5H8 A5B8 -19.28 1.0 -9.04 1.53 0
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47992 10536212 1 SiC13H20 AB13C20 -20.0 1.56 -8.93 0.64 0
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47993 10536215 2 ClNC4H5 ABC4D5 12.84 3.5 -9.74 -0.69 0
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47994 10536232 1 NO2C12H15 AB2C12D15 -74.16 4.43 -8.95 0.51 0
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47995 10536235 1 NH11C15 AB11C15 60.11 2.41 -8.8 -0.61 0
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47996 10536240 1 NOC13H19 ABC13D19 -42.09 1.99 -8.88 0.46 0
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47997 10536296 1 NO3C11H13 AB3C11D13 -83.31 1.06 -9.96 -0.25 0
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47999 10536303 1 SN3O3C6H13 AB3C3D6E13 -81.3 6.44 -10.01 0.02 0
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48000 10536322 1 NC14H25 AB14C25 -33.77 2.57 -8.09 1.53 0
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48001 10536330 1 NCl2H3O3C6 AB2C3D3E6 -102.1 2.13 -9.95 -1.78 0
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48002 10536347 1 O3C12H16 A3B12C16 -128.61 5.22 -8.72 0.23 0
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48003 10536361 1 OSC12H16 ABC12D16 -42.24 1.32 -9.1 -0.27 0
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48004 10536362 1 OSC12H16 ABC12D16 -28.48 2.65 -8.99 -0.18 0
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48005 10536367 1 C15H28 A15B28 -28.86 0.58 -9.18 1.42 0
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48006 10536378 1 NO4C10H11 AB4C10D11 -150.95 6.57 -9.68 -0.33 0
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48007 10536382 1 NO3C11H15 AB3C11D15 -105.84 4.96 -10.04 -0.04 0
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48008 10536384 1 NOH11C14 ABC11D14 3.95 3.25 -8.95 -0.37 0
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48009 10536392 1 NO2C12H19 AB2C12D19 -77.33 5.25 -9.88 0.39 0
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48010 10536394 1 NO2C12H19 AB2C12D19 -62.83 2.12 -8.3 0.26 0
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48011 10536413 1 O4C11H14 A4B11C14 -144.72 2.35 -8.69 -0.51 0
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48012 10536414 1 N2O3C10H14 A2B3C10D14 -140.05 4.56 -9.93 -0.66 0
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48013 10536478 1 NC15H17 AB15C17 33.77 4.08 -9.24 0.3 0
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48014 10536481 1 NOC13H25 ABC13D25 -101.77 4.58 -9.57 1.38 0
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48015 10536482 1 NC14H29 AB14C29 -40.06 1.26 -8.76 1.42 0
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48016 10536488 1 IOC5H9 ABC5D9 -35.54 3.25 -9.51 -0.75 0
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48017 10536496 2 NOH4C6 ABC4D6 -12.0 5.07 -8.46 -1.66 0
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48018 10536540 1 O2N3H7C11 A2B3C7D11 64.46 2.48 -9.08 -1.37 0
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48019 10536556 1 NOSiC11H23 ABCD11E23 -106.69 3.32 -8.98 1.16 0
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48020 10536597 1 O3C12H22 A3B12C22 -157.43 4.08 -9.77 1.01 0
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48021 10536616 1 BrON2C7H7 ABC2D7E7 17.31 2.67 -9.76 -0.96 0
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48022 10536629 1 ON3C12H13 AB3C12D13 23.36 4.85 -8.68 -0.13 0
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48023 10536635 1 NO3C11H21 AB3C11D21 -153.46 3.79 -9.38 1.74 0
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48024 10536654 1 NC15H21 AB15C21 15.16 1.3 -8.17 0.53 0
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48026 10536667 3 O2C3H4 A2B3C4 -272.69 5.2 -10.97 0.28 0
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48027 10536691 2 OC7H8 AB7C8 -77.06 4.74 -8.92 -0.65 0
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48028 10536692 2 OC7H8 AB7C8 -76.83 5.82 -9.13 -0.33 0
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48029 10536697 1 ON2C13H16 AB2C13D16 -10.13 1.92 -9.44 0.46 0
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48030 10536700 1 S2F3C7H11 A2B3C7D11 -187.84 3.89 -9.53 -1.65 0
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48031 10536702 1 SN2C12H12 AB2C12D12 79.23 1.28 -9.39 -0.87 0
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48032 10536704 1 OC15H20 AB15C20 -31.1 2.5 -9.2 0.5 0
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48033 10536719 1 SiO2C11H24 AB2C11D24 -162.78 2.51 -9.02 0.43 0
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48034 10536726 1 Cl2O2H6C9 A2B2C6D9 -27.22 4.35 -9.01 -0.64 0
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48035 10536728 1 HNSC2O2F6 ABCD2E2F6 -383.78 1.51 -12.55 -1.88 0
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48036 10536730 1 NH11C15 AB11C15 71.82 3.96 -9.41 -0.05 0
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48037 10536742 1 ON5C10H11 AB5C10D11 41.89 1.65 -9.07 -0.78 0
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48038 10536743 1 OSN3H7C10 ABC3D7E10 97.02 5.46 -9.22 -1.82 0
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48039 10536744 1 OSN3H7C10 ABC3D7E10 29.25 6.62 -9.31 -1.37 0
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48040 10536746 1 NO4C10H19 AB4C10D19 -196.81 3.53 -9.94 0.49 0
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48041 10536750 1 NO2C13H15 AB2C13D15 -29.87 5.42 -8.15 -0.29 0
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48042 10536752 1 NO2C13H15 AB2C13D15 -74.85 4.77 -9.03 -0.42 0
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48044 10536764 1 ClNOH8C12 ABCD8E12 -2.1 1.84 -8.61 -0.51 0
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48045 10536770 1 O2N3C5H11 A2B3C5D11 -75.47 5.29 -10.07 0.32 0
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48047 10536775 1 FSO4H7C8 ABC4D7E8 -188.5 4.64 -9.53 -1.18 0
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48048 10536779 1 N2O3H10C11 A2B3C10D11 5.36 7.49 -8.73 -1.52 0
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48049 10536781 1 FO4C10H15 AB4C10D15 -229.2 1.64 -10.97 -0.86 0
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48050 10536794 2 NOC6H7 ABC6D7 -42.62 3.25 -9.14 -0.74 0
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48051 10536801 1 ON4C11H14 AB4C11D14 93.97 6.25 -9.19 -0.88 0
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48052 10536803 1 SO2H10C12 AB2C10D12 -42.31 6.8 -9.56 -1.37 0
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48053 10536825 1 SiO3C10H22 AB3C10D22 -189.69 3.23 -8.92 0.87 0
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48054 10536827 2 C8H13 A8B13 -33.22 0.18 -8.91 0.51 0
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48055 10536832 1 ClOSiC10H19 ABCD10E19 -95.9 3.12 -9.24 0.35 0
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48056 10536837 1 N3O3H9C10 A3B3C9D10 -12.2 4.14 -9.93 -1.71 0
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48057 10536852 1 N3H9C14 A3B9C14 121.33 4.45 -9.02 -0.96 0
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48058 10536874 1 NOC14H21 ABC14D21 -38.95 2.41 -8.6 0.42 0
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48059 10536884 4 OC3H3 AB3C3 -135.61 5.17 -9.01 -0.36 0
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48060 10536885 4 OC3H3 AB3C3 -123.18 4.37 -8.78 -0.4 0
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48061 10536891 1 N2O3C11H12 A2B3C11D12 -37.63 3.48 -9.78 -1.1 0
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48062 10536895 1 O3C13H16 A3B13C16 -125.2 1.2 -9.4 0.2 0
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48063 10536899 1 O3C13H16 A3B13C16 -125.08 4.67 -8.85 0.15 0