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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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1 1917 2 ON2C6H8 AB2C6D8 -66.47 4.49 -9.12 -0.54 0
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2 1921 1 N3O3C13H19 A3B3C13D19 -104.84 3.42 -9.08 -0.8 0
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3 1922 1 O2N4H12C13 A2B4C12D13 -22.66 4.48 -9.08 -1.06 0
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4 1923 1 NOH7C9 ABC7D9 4.47 2.73 -8.85 -0.78 0
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5 1927 1 O3C18H32 A3B18C32 -170.98 5.36 -9.2 0.2 0
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6 1930 1 NOC18H35 ABC18D35 -106.97 4.09 -9.5 1.17 0
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7 1931 2 OC9H14 AB9C14 -58.7 4.69 -9.69 0.67 0
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8 1936 1 N2O7C11H18 A2B7C11D18 -300.01 5.76 -10.06 -0.67 0
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9 1938 1 N3O5C11H13 A3B5C11D13 -171.27 3.89 -9.24 -0.57 0
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10 1942 1 ON5C8H11 AB5C8D11 9.92 0.43 -9.06 -0.51 0
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11 1944 1 SN2O5C19H22 AB2C5D19E22 -188.29 7.98 -9.48 -0.67 0
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12 1947 1 PN2O8C11H17 AB2C8D11E17 -395.01 4.6 -9.33 -0.76 0
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13 1951 1 O3N4F5C28H29 A3B4C5D28E29 -315.49 7.19 -8.64 -0.29 0
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14 1952 1 SeO2C3H5 AB2C3D5 -59.18 1.26 0.0 0.0 -1
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15 1953 1 SeO2C3H6 AB2C3D6 -86.82 5.7 -8.92 -0.71 0
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16 1954 1 TeO2C3H5 AB2C3D5 -63.97 1.25 0.0 0.0 -1
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17 1955 1 TeO2C3H6 AB2C3D6 -87.24 5.71 -8.71 -0.31 0
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18 1957 1 O2N5C21H27 A2B5C21D27 -40.46 7.32 -8.78 -0.13 0
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19 1959 1 N3O6C29H37 A3B6C29D37 -225.64 4.42 -8.42 -0.82 0
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20 1961 1 NO3C20H27 AB3C20D27 -142.24 2.34 -8.83 -0.12 0
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21 1965 1 N3O6C29H36 A3B6C29D36 -188.85 3.83 0.0 0.0 -1
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22 1967 1 O3C21H26 A3B21C26 -33.38 3.2 -10.12 -1.5 0
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23 1968 1 P3N7O16C20H30 A3B7C16D20E30 -804.31 8.9 -7.67 -1.11 0
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24 1973 1 BrON6H19C22 ABC6D19E22 90.79 4.14 -8.66 -1.12 0
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25 1974 1 NO3C21H23 AB3C21D23 -94.29 1.08 -9.21 -1.01 0
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26 1975 1 O5H12C16 A5B12C16 -130.57 12.95 -8.89 -1.58 0
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27 1979 1 NO2C9H15 AB2C9D15 -101.92 2.72 -9.0 0.76 0
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28 1982 1 NPSO3C4H10 ABCD3E4F10 -207.48 4.7 -9.4 0.02 0
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29 1983 1 NO2C8H9 AB2C8D9 -71.52 2.84 -8.49 -0.06 0
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30 1984 1 NO4H13C15 AB4C13D15 -120.3 1.28 -8.51 -0.78 0
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31 1985 1 AsNO5C8H10 ABC5D8E10 -171.9 3.1 -8.96 -0.36 0
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32 1986 1 S2O3C4N4H6 A2B3C4D4E6 -62.25 3.73 -10.13 -1.8 0
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33 1987 1 ClO2N7C23H26 AB2C7D23E26 14.26 4.28 -8.89 -0.17 0
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34 1988 1 ClNO2C14H20 ABC2D14E20 -98.28 2.46 -9.45 -0.03 0
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35 1989 1 SN2O4C15H20 AB2C4D15E20 -161.85 7.21 -10.14 -1.22 0
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36 1992 1 N5O13C30H37 A5B13C30D37 -580.04 7.41 -9.35 -1.19 0
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37 1994 1 NSO3C20H33 ABC3D20E33 -157.27 6.56 -9.01 0.0 0
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38 1995 1 NO3C8H15 AB3C8D15 -162.96 6.05 -10.22 0.33 0
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39 2000 1 NO3C11H13 AB3C11D13 -120.68 6.48 -9.87 -0.11 0
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40 2001 1 N2O16C47H78 A2B16C47D78 -740.61 9.53 -8.67 0.1 0
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41 2004 1 NO4C13H17 AB4C13D17 -172.03 5.04 -9.15 -0.12 0
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42 2006 1 O3N5H7C9 A3B5C7D9 -12.03 1.31 -9.63 -1.29 0
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43 2009 1 NO4C10H20 AB4C10D20 -162.79 1.48 0.0 0.0 1
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44 2010 2 PN3O7C11H14 AB3C7D11E14 -607.34 33.5 -8.45 -3.38 0
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45 2013 1 NOC25H41 ABC25D41 -39.8 3.58 -9.44 1.05 0
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46 2014 1 ClON4H13C14 ABC4D13E14 15.45 5.18 -9.03 -0.61 0
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47 2015 1 NOH9C13 ABC9D13 10.45 4.83 -8.67 -0.69 0
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48 2016 1 N3C14H14 A3B14C14 51.84 3.24 0.0 0.0 1
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49 2017 1 ON3C15H15 AB3C15D15 18.61 3.07 -7.75 -0.77 0
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50 2020 1 N3O5C19H35 A3B5C19D35 -244.15 6.81 -9.36 -0.14 0
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51 2022 1 O3N5C8H11 A3B5C8D11 -60.01 10.73 -9.51 -0.53 0
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52 2023 1 P3N5C16O18H26 A3B5C16D18E26 -943.31 7.46 -9.72 -1.2 0
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53 2024 1 PN5O6C10H12 AB5C6D10E12 -248.1 3.05 -9.09 -0.55 0
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54 2026 2 O3N4C14H16 A3B4C14D16 -153.46 7.98 -8.93 -1.06 0
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55 2027 1 P2N5C10O10H15 A2B5C10D10E15 -494.4 5.87 -9.63 -1.11 0
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56 2028 1 SP3N5C10O12H16 AB3C5D10E12F16 -663.87 7.29 -9.17 -0.61 0
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57 2029 1 P4N7C19O20H27 A4B7C19D20E27 -1031.48 6.89 -9.24 -0.68 0
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58 2030 1 P2N7O15C19H25 A2B7C15D19E25 -691.05 8.29 -9.17 -0.65 0
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59 2032 2 NOC10H17 ABC10D17 -124.68 5.95 -8.26 0.14 0
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60 2034 1 O2N5C10H13 A2B5C10D13 -1.64 5.55 -8.85 -1.01 0
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61 2036 1 NBr2O3C9H9 AB2C3D9E9 -66.59 5.68 -9.77 -1.3 0
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62 2038 1 O9C15H16 A9B15C16 -328.74 8.07 -9.06 -1.73 0
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63 2039 1 SC3N3H9 AB3C3D9 16.27 1.59 -9.3 -0.09 0
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64 2045 1 ON4H8C13 AB4C8D13 98.85 5.62 -9.61 -1.64 0
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65 2047 1 N3O4H5C10 A3B4C5D10 32.52 3.36 -10.09 -2.7 0
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66 2050 2 NOH7C8 ABC7D8 -16.61 4.08 -8.73 -1.04 0
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67 2051 1 ClO2N3H14C16 AB2C3D14E16 -0.93 5.98 -8.59 -0.98 0
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68 2052 2 NOH3C5 ABC3D5 18.74 5.24 -9.33 -1.58 0
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69 2053 1 SN2O2H8C10 AB2C2D8E10 7.84 5.5 -9.23 -1.05 0
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70 2054 1 NO4H7C10 AB4C7D10 -95.89 5.27 -9.35 -1.41 0
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71 2058 1 N2O3H18C19 A2B3C18D19 -44.72 5.65 -9.18 -1.21 0
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72 2059 1 N2O3C20H20 A2B3C20D20 -50.43 3.05 -9.01 -1.18 0
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73 2064 1 NO4C15H15 AB4C15D15 -127.49 3.66 -8.79 -0.56 0
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74 2066 1 NSO3C15H25 ABC3D15E25 -153.86 7.23 -9.08 0.0 0
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75 2067 1 NSO3C25H41 ABC3D25E41 -161.71 5.1 -8.64 0.14 0
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76 2068 1 NC10H19 AB10C19 -21.4 1.89 -9.15 3.5 0
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77 2078 1 ClNO2C14H20 ABC2D14E20 -96.14 1.88 -9.42 0.04 0
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78 2084 1 ClO3C11H13 AB3C11D13 -127.64 4.98 -9.16 -0.55 0
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79 2087 2 Cl3H4C6 A3B4C6 37.3 3.33 -9.76 -0.66 0
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80 2088 1 NP2C4O7H13 AB2C4D7E13 -423.03 4.96 -9.71 0.41 0
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81 2089 2 OC15H22 AB15C22 -110.54 3.97 -9.53 0.08 0
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82 2090 2 N5C13H28 A5B13C28 -14.98 3.18 -9.17 0.66 0
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83 2091 1 O2C27H44 A2B27C44 -136.51 2.81 -8.75 0.2 0
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84 2092 1 O4N5C19H27 A4B5C19D27 -119.69 4.57 -8.08 -0.41 0
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85 2093 10 C2H3 A2B3 3.02 1.44 -8.12 -0.05 0
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86 2095 1 N2O4C9H16 A2B4C9D16 -165.53 4.61 -9.38 0.6 0
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87 2096 1 OC21H32 AB21C32 -73.65 1.53 -9.09 1.01 0
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88 2099 1 ON4C17H18 AB4C17D18 16.08 5.44 -8.44 -0.1 0
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89 2101 1 NO3H7C10 AB3C7D10 -55.0 2.79 -9.68 -1.48 0
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90 2103 1 FP3N8O17C23H38 AB3C8D17E23F38 -948.79 8.87 -9.65 -1.11 0
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91 2104 1 FP3N7O18C23H37 AB3C7D18E23F37 -987.28 16.75 -9.64 -1.19 0
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92 2105 1 N3O4C6H11 A3B4C6D11 -170.35 6.48 -10.22 0.2 0
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93 2106 1 PO4C15H27 AB4C15D27 -243.63 5.28 -9.07 0.76 0
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94 2107 1 ON2C11H14 AB2C11D14 -18.13 2.33 -8.29 -0.2 0
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95 2108 1 O6C7H14 A6B7C14 -274.75 3.28 -10.28 0.88 0
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96 2109 1 NO4C5H9 AB4C5D9 -186.88 6.13 -10.89 -0.12 0
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97 2110 1 NO3C10H13 AB3C10D13 -122.08 4.3 -9.44 -0.28 0
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98 2113 2 NOC3H7 ABC3D7 -105.24 5.27 -9.69 0.9 0
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99 2114 1 NaPO4H8C10 ABC4D8E10 -261.2 10.84 -8.83 -0.79 0
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100 2115 1 PO4H9C10 AB4C9D10 -194.11 3.11 -8.88 -0.58 0