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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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8959 84026 1 NO4C13H19 AB4C13D19 -168.62 6.35 -8.82 -0.24 0
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8960 84027 1 NO14C35H35 AB14C35D35 -519.59 7.14 -8.87 -2.04 0
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8961 84080 1 SP2N9O13C28H45 AB2C9D13E28F45 -663.93 18.23 -8.7 -0.95 0
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8962 84110 1 Cl3H5C7 A3B5C7 -5.81 1.42 -9.84 -0.89 0
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8963 84189 1 ClO2C4H7 AB2C4D7 -96.46 3.27 -10.37 -0.42 0
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8964 84204 2 O2C5H9 A2B5C9 -212.11 6.26 -10.81 0.64 0
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8965 84206 2 O2C22H39 A2B22C39 -303.1 3.85 -10.35 -0.87 0
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8966 84228 1 NC11H13 AB11C13 28.91 1.76 -9.1 -0.12 0
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8967 84258 2 OC28H56 AB28C56 -347.87 1.66 -10.24 0.86 0
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8968 84309 1 NO2C5H5 AB2C5D5 -43.61 5.81 -10.5 -0.7 0
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8969 84326 1 PN2C16H25 AB2C16D25 -15.4 0.62 -7.98 0.31 0
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8970 84335 2 NO2C12H12 AB2C12D12 -106.86 2.3 -8.05 -1.25 0
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8971 84349 1 NOC8H11 ABC8D11 -20.63 1.2 -8.29 0.62 0
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8972 84415 1 N2C15H19 A2B15C19 53.5 3.58 0.0 0.0 1
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8973 84434 2 N2O3H4C6 A2B3C4D6 34.31 8.9 -9.98 -2.28 0
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8974 84447 1 O8C41H76 A8B41C76 -512.59 5.1 -10.48 0.39 0
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8975 84455 1 LuBr3 AB3 -94.97 0.28 -10.15 -2.86 0
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8976 84473 2 SH4O4C7 AB4C4D7 -248.91 3.37 -11.15 -2.62 0
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8977 84504 1 ClSO2C6H13 ABC2D6E13 -117.86 5.71 -11.61 -1.07 0
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8978 84505 1 N2O4H8C9 A2B4C8D9 -53.2 10.01 -9.96 -1.7 0
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8979 84509 1 SN2C6O6H18 AB2C6D6E18 -234.08 3.44 -9.81 -0.77 0
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8980 84511 1 N2S2O7H16C22 A2B2C7D16E22 -176.08 3.41 -8.88 -2.15 0
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8981 84513 1 OBr2C8H8 AB2C8D8 -20.21 2.12 -9.13 -0.54 0
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8983 84527 1 KSO3C18H29 ABC3D18E29 -203.64 5.6 -9.22 0.43 0
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8984 84534 1 ClON2H9C10 ABC2D9E10 6.42 2.72 -8.7 -0.25 0
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8985 84574 1 NSO4H12C15F17 ABC4D12E15F17 -987.41 3.95 -10.38 -1.12 0
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8986 84575 1 NS2O4C8H11 AB2C4D8E11 -153.16 3.21 -10.2 -0.57 0
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8987 84606 1 ClN2O2C8H19 AB2C2D8E19 -111.01 10.61 -8.48 0.09 0
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8988 84625 1 N2O3H8C10 A2B3C8D10 27.69 3.8 -9.45 -1.99 0
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8989 84647 1 NO4H11C14 AB4C11D14 -37.99 4.58 -9.9 -1.89 0
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8990 84652 2 NH5C6 AB5C6 80.12 2.53 -9.52 -0.98 0
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8992 84840 1 SC3N4H6 AB3C4D6 75.26 7.23 -9.74 -0.84 0
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8993 84843 1 SO6H8C10 AB6C8D10 -210.08 7.66 -9.63 -1.54 0
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8994 84844 1 O5H14C16 A5B14C16 -173.8 2.17 -9.28 -0.64 0
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8995 84854 1 ClFNOC9H9 ABCDE9F9 -81.17 1.64 -10.11 -0.62 0
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8996 84871 1 NiN2S4C18H36 AB2C4D18E36 154.86 7.74 -7.76 -1.0 0
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8997 84874 1 ZnN2S4C22H44 AB2C4D22E44 -80.18 0.91 -8.34 -0.12 0
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8998 84879 1 NO4C23H27 AB4C23D27 -61.26 3.5 -8.54 -0.02 0
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8999 84881 1 O2C11H16 A2B11C16 -78.96 0.9 -8.09 0.24 0
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9000 84883 1 NOC5H11 ABC5D11 -46.26 3.38 -9.12 0.72 0
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9001 84886 2 SO5C14H15 AB5C14D15 -339.91 6.45 -9.67 -0.56 0
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9002 84888 1 ClNO2H8C10 ABC2D8E10 -71.35 4.1 -9.37 -0.39 0
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9003 84914 1 OCl2N2C9H10 AB2C2D9E10 -38.92 4.59 -9.07 -0.47 0
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9004 84950 2 PK2C3H5O6 AB2C3D5E6 -840.93 6.0 -8.27 0.9 0
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9005 84953 1 IC5H11 AB5C11 -17.35 1.79 -9.64 -0.62 0
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9006 84954 1 S2C7O7H8 A2B7C7D8 -282.06 6.75 -10.84 -1.28 0
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9007 84959 1 VI2 AB2 39.47 3.56 0.0 0.0 0
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9008 84960 1 VI3 AB3 64.26 1.44 -7.92 -3.26 -3
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9009 84972 1 N2O4C19H22 A2B4C19D22 -102.66 3.23 -8.79 -0.6 0
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9010 84973 1 N5C14H15 A5B14C15 85.49 4.3 -8.64 -0.69 0
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9011 84975 1 Cl2N2C7H20 A2B2C7D20 -101.54 4.94 -9.59 1.66 0
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9012 84976 1 ClN5C6H16 AB5C6D16 -20.0 2.93 -9.06 0.3 0
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9014 85007 1 NSO3C12H13 ABC3D12E13 -57.1 17.84 -9.55 -2.46 0
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9015 85043 1 SSnC4H10 ABC4D10 20.58 6.83 -8.27 -0.6 0
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9016 85068 1 OC11F22 AB11C22 -1114.24 1.17 -12.6 -1.41 0
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9017 85076 1 NO3H7C10 AB3C7D10 -87.86 4.54 -9.51 -1.62 0
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9018 85079 1 TiO6C18H36 AB6C18D36 -355.05 7.59 -8.04 -2.42 0
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9019 85111 3 NC3H3 AB3C3 66.11 2.39 -8.8 -0.72 0
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9021 85194 1 NOC5H13 ABC5D13 -59.68 2.51 -9.03 2.33 0
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9022 85198 1 N2O2C13H18 A2B2C13D18 -91.86 2.06 -8.69 -0.24 0
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9023 85199 1 ClN3H6C8 AB3C6D8 55.39 5.85 -9.15 -1.06 0
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9024 85200 1 Cl2O3C10H10 A2B3C10D10 -123.26 1.35 -9.39 -0.94 0
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9025 85235 1 NO5C9H19 AB5C9D19 -242.95 3.08 -9.99 0.07 0
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9026 85285 1 OZnCl4N7H19C21 ABC4D7E19F21 105.88 13.79 -8.68 -2.44 0
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9027 85324 1 SO2C10H10 AB2C10D10 -10.84 7.14 -10.2 -0.54 0
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9028 85386 1 N2O3C8H10 A2B3C8D10 -30.79 7.45 -8.8 -1.08 0
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9029 85387 1 OSN3H9C19 ABC3D9E19 112.45 7.52 -8.77 -2.27 0
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9030 85388 1 OSN3H9C19 ABC3D9E19 92.19 8.12 -8.75 -2.09 0
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9031 85389 2 OC6H11 AB6C11 -75.27 1.15 -10.06 1.22 0
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9032 85457 1 N2O3C20H24 A2B3C20D24 -59.46 2.78 -8.54 -0.93 0
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9033 85466 2 NO2H5C7 AB2C5D7 -107.06 2.21 -8.05 -1.62 0
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9034 85470 1 SiO3C13H20 AB3C13D20 -191.95 0.99 -8.82 0.34 0
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9035 85473 1 O4N5C11H15 A4B5C11D15 -120.88 3.37 -9.15 -0.54 0
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9036 85475 1 NOC22H45 ABC22D45 -123.47 1.62 -8.61 2.14 0
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9037 85485 1 SO4N5H11C13 AB4C5D11E13 -41.71 6.27 -9.56 -1.73 0
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9038 85496 1 OF4H8C14 AB4C8D14 -191.66 2.06 -10.38 -1.36 0
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9039 85535 2 OC13H26 AB13C26 -208.2 1.68 -10.37 0.93 0
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9040 85553 1 NO3C6H11 AB3C6D11 -127.29 4.53 -9.79 0.23 0
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9041 85554 2 NOC4H5 ABC4D5 -74.59 4.18 -8.69 0.13 0
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9042 85555 1 N2O3H10C17 A2B3C10D17 -6.05 3.05 -8.96 -1.93 0
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9043 85556 1 ClSiC5H11 ABC5D11 -28.57 2.0 -9.53 0.41 0
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9044 85558 1 O4C9H14 A4B9C14 -202.88 6.31 -10.92 -0.08 0
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9045 85565 1 ClNO4C12H14 ABC4D12E14 -154.71 5.02 -8.29 -0.18 0
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9046 85580 1 NOC9H21 ABC9D21 -75.46 2.16 -9.29 2.25 0
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9047 85588 1 FNOH4C7 ABCD4E7 -40.02 3.14 -9.48 -0.71 0
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9048 85591 2 NOC4H5 ABC4D5 -1.83 8.6 -8.55 -0.7 0
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9049 85621 1 ClNOH4C5 ABCD4E5 -29.93 3.12 -9.52 -0.82 0
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9050 85629 1 NO2C12H25 AB2C12D25 -69.71 4.18 -10.6 -0.44 0
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9051 85644 1 SnCl2O4C10H14 AB2C4D10E14 -164.55 6.21 -9.6 -1.87 0
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9053 85646 2 O4C7H7 A4B7C7 -319.15 0.58 -11.22 -2.22 0
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9054 85651 2 OC12H24 AB12C24 -197.77 1.71 -10.55 0.92 0
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9055 85652 1 O4C19H36 A4B19C36 -249.66 3.35 -11.06 0.42 0
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9056 85656 1 N2O2C9H12 A2B2C9D12 -66.53 4.28 -10.45 0.17 0
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9057 85661 1 NC14H31 AB14C31 -56.64 1.49 -8.51 2.94 0
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9058 85688 1 O2C23H32 A2B23C32 -107.63 2.27 -8.78 0.26 0
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9059 85697 1 NOC15H23 ABC15D23 -41.56 2.33 -8.61 0.23 0
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9060 85698 1 O2C13H20 A2B13C20 -132.74 4.78 -10.42 0.7 0
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9061 85707 4 O4C7H8 A4B7C8 -625.36 4.13 -8.6 -1.34 0
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9062 85709 1 O2C11H22 A2B11C22 -138.48 4.54 -10.77 0.73 0
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9063 85711 1 ClN2O2C17H29 AB2C2D17E29 -133.38 5.91 -8.71 -0.38 0