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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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145964 53618672 1 ON4C18H22 AB4C18D22 9.1 2.37 -9.49 -0.27 0
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145965 53618673 1 OSN6C15H20 ABC6D15E20 57.07 7.27 -8.95 -1.27 0
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145966 53619121 2 NO2C9H15 AB2C9D15 -176.55 6.62 -8.54 0.36 0
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145967 53619180 1 O2F3N3C16H16 A2B3C3D16E16 -160.38 5.78 -9.39 -0.54 0
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145968 53619203 1 N2O3C14H22 A2B3C14D22 -135.48 6.47 -10.09 0.84 0
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145969 53619230 1 N2O4C19H26 A2B4C19D26 -137.27 3.87 -8.63 -0.61 0
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145970 53619231 1 Cl2O2N5H19C21 A2B2C5D19E21 35.7 5.07 -9.27 -1.02 0
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145971 53619612 1 ON5C19H27 AB5C19D27 15.87 1.75 -8.84 -0.48 0
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145972 53619613 1 ON6C17H24 AB6C17D24 10.64 6.85 -9.52 -0.39 0
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145973 53619795 1 NOF3C10H10 ABC3D10E10 -186.6 1.83 -9.91 -0.57 0
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145974 53619923 1 N3O3C19H27 A3B3C19D27 -106.63 5.95 -8.4 0.08 0
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145975 53620339 1 FO2N3C18H28 AB2C3D18E28 -118.25 5.41 -8.83 0.01 0
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145976 53620340 2 ON2C9H16 AB2C9D16 -97.98 7.57 -8.59 0.37 0
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145977 53620610 1 S2N3O6C17H21 A2B3C6D17E21 -202.37 6.66 -9.18 -0.51 0
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145978 53620611 1 ClON2H7C10 ABC2D7E10 59.17 3.04 -9.54 -1.11 0
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145979 53620688 1 ClON5C17H18 ABC5D17E18 53.79 7.27 -8.87 -1.27 0
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145980 53620930 1 N2F3O4C14H17 A2B3C4D14E17 -315.13 1.85 -9.81 -0.77 0
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145981 53620931 1 FN2O4C16H19 AB2C4D16E19 -216.76 1.13 -9.88 -0.26 0
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145982 53620932 1 ON4C17H24 AB4C17D24 12.48 0.85 -8.34 0.43 0
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145983 53620933 1 BrO2N3C14H20 AB2C3D14E20 -75.02 7.23 -8.76 -0.16 0
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145984 53620991 1 NSO4C14H23 ABC4D14E23 -160.0 3.29 -9.38 -0.7 0
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145985 53621126 1 ClON3C16H18 ABC3D16E18 23.81 3.96 -8.64 -0.6 0
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145986 53621238 1 ON6C18H22 AB6C18D22 49.93 3.14 -8.72 -0.36 0
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145987 53621239 1 O3N4C18H20 A3B4C18D20 -43.97 2.79 -8.81 -0.42 0
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145988 53621328 1 N2F3O3C16H19 A2B3C3D16E19 -215.11 8.79 -9.39 -0.25 0
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145989 53621329 1 N2F3O3H19C20 A2B3C3D19E20 -226.48 7.4 -9.21 -0.4 0
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145990 53621411 1 BrON4H11C15 ABC4D11E15 55.87 3.51 -8.93 -1.36 0
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145991 53621444 1 O2N5C17H19 A2B5C17D19 -18.0 5.63 -9.52 -0.34 0
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145992 53621580 2 ON2C7H8 AB2C7D8 -6.31 3.18 -8.67 -0.27 0
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145993 53621617 2 ON2H8C9 AB2C8D9 2.57 5.6 -8.99 -0.68 0
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145994 53621618 1 FN3O4H14C15 AB3C4D14E15 -52.62 7.46 -9.37 -1.66 0
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145995 53621709 3 NOC3H5 ABC3D5 -70.88 1.07 -10.27 -0.68 0
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145996 53621779 1 BrN2O2C18H23 AB2C2D18E23 -25.79 0.88 -9.84 -0.48 0
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145997 53622071 1 SN4O5C13H16 AB4C5D13E16 -68.68 9.35 -9.59 -0.92 0
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145998 53622883 1 OSN5C17H25 ABC5D17E25 9.6 6.58 -8.86 -0.9 0
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145999 53623272 1 N3O3C17H27 A3B3C17D27 -94.9 3.98 -8.26 0.28 0
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146000 53623670 1 O3N4C18H26 A3B4C18D26 -132.98 2.93 -8.57 0.21 0
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146001 53623671 1 O2F3N4C15H15 A2B3C4D15E15 -171.08 3.94 -8.88 -1.03 0
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146002 53623672 1 Cl2N2O3C13H22 A2B2C3D13E22 -173.19 2.92 -9.91 0.04 0
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146003 53623823 1 O2N4C19H28 A2B4C19D28 -62.24 7.24 -8.95 -0.01 0
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146004 53623840 1 ClN3O3C17H18 AB3C3D17E18 -66.72 6.95 -9.13 -0.64 0
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146005 53624060 1 N2O3C18H24 A2B3C18D24 -80.71 4.05 -9.12 -0.78 0
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146006 53624061 1 ClOSN2C12H19 ABCD2E12F19 -12.05 2.54 -8.61 -0.42 0
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146007 53624068 1 N2S2O4C13H14 A2B2C4D13E14 -106.3 8.02 -9.4 -1.07 0
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146008 53624069 1 OS2N4C14H16 AB2C4D14E16 54.79 4.36 -9.02 -0.83 0
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146009 53624070 1 O2N3H19C21 A2B3C19D21 -7.19 5.1 -8.61 -0.38 0
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146010 53624071 1 N3O3C16H17 A3B3C16D17 -42.88 4.75 -9.22 -0.69 0
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146011 53624072 1 F2O2N4H14C17 A2B2C4D14E17 -68.41 2.04 -8.95 -0.72 0
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146012 53624157 1 O2N5C15H23 A2B5C15D23 -15.05 2.41 -9.15 0.05 0
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146013 53624172 1 N3O3C13H21 A3B3C13D21 -81.75 1.37 -8.99 -0.64 0
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146014 53624207 2 ON2C8H9 AB2C8D9 19.04 3.05 -8.69 -0.58 0
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146015 53624208 2 NOC10H19 ABC10D19 -165.26 5.44 -9.11 1.12 0
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146016 53624284 1 O2N4C17H22 A2B4C17D22 -28.96 4.38 -8.94 -0.61 0
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146017 53624629 2 ON2C8H11 AB2C8D11 -17.34 5.36 -9.02 0.02 0
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146018 53624630 1 FOSN6C24H27 ABCD6E24F27 54.25 3.87 -8.72 -0.6 0
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146019 53624631 1 OSN5C17H21 ABC5D17E21 78.23 2.38 -8.91 -0.91 0
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146020 53624632 1 N2O2C17H22 A2B2C17D22 -77.85 8.07 -9.62 -0.05 0
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146021 53624633 1 ClN3O3C16H20 AB3C3D16E20 -111.82 4.58 -8.62 -0.28 0
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146022 53624634 1 O2N3C24H29 A2B3C24D29 -58.93 7.98 -8.02 0.19 0
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146023 53624635 1 SN2O2C18H20 AB2C2D18E20 -14.48 2.63 -9.15 -0.98 0
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146024 53624636 1 N3O3C13H25 A3B3C13D25 -95.86 2.82 -9.45 -0.21 0
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146025 53624662 1 F2O2N3C17H17 A2B2C3D17E17 -132.02 3.2 -9.0 -1.14 0
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146026 53624663 1 NO6H17C20 AB6C17D20 -174.03 6.01 -9.06 -1.12 0
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146027 53624843 1 FO2N3C17H20 AB2C3D17E20 -57.31 1.98 -9.54 -0.15 0
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146028 53625277 1 O2N5C18H21 A2B5C18D21 63.67 6.3 -9.06 -0.33 0
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146029 53625321 1 O2N3C13H19 A2B3C13D19 -53.71 7.22 -9.18 0.45 0
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146030 53625322 1 ON4C17H22 AB4C17D22 19.7 3.92 -9.66 -0.26 0
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146031 53625892 1 O3N6C16H18 A3B6C16D18 76.95 6.15 -9.27 -1.31 0
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146032 53625977 1 N2O2C19H32 A2B2C19D32 -95.85 2.02 -8.51 0.33 0
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146033 53625978 1 OSN4C19H26 ABC4D19E26 -8.35 5.39 -8.4 -0.52 0
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146034 53626021 1 S2N5C23H31 A2B5C23D31 82.87 2.84 -8.83 -0.67 0
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146035 53626165 1 N3O3C20H25 A3B3C20D25 -35.45 5.42 -8.15 0.06 0
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146036 53626166 1 N3O3C23H27 A3B3C23D27 -96.98 2.38 -8.18 -0.14 0
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146037 53626442 1 OSN4C18H24 ABC4D18E24 16.86 4.52 -8.84 -0.14 0
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146038 53626522 1 FSN2O2H15C21 ABC2D2E15F21 -18.26 3.29 -8.94 -1.18 0
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146039 53626889 2 ON2C12H16 AB2C12D16 4.03 4.64 -9.21 -0.22 0
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146040 53627180 1 ON4C17H22 AB4C17D22 11.11 1.37 -9.06 0.1 0
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146041 53627263 1 ClON3H16C19 ABC3D16E19 47.54 6.26 -8.9 -0.75 0
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146042 53627264 1 F2N2O3H10C12 A2B2C3D10E12 -164.55 1.53 -9.27 -0.75 0
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146043 53627311 1 OF2N4C18H22 AB2C4D18E22 -80.13 3.17 -9.28 -0.43 0
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146044 53627312 1 ON5C19H23 AB5C19D23 79.95 1.47 -9.49 -0.3 0
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146045 53627535 1 O2F3C4H4 A2B3C4D4 -211.16 3.09 0.0 0.0 0
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146046 53627908 1 O2C4H7 A2B4C7 -38.3 2.2 0.0 0.0 0
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146047 53627909 1 NOC5H8 ABC5D8 -15.03 1.66 0.0 0.0 0
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146048 53627910 1 ON2C4 AB2C4 78.28 2.71 -10.49 -1.61 0
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146049 53627911 1 NOC3H3 ABC3D3 46.93 3.68 -10.03 -1.08 0
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146050 53628125 1 OC5H5 AB5C5 101.96 3.08 0.0 0.0 0
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146051 53628195 1 NOC5H6 ABC5D6 41.4 3.58 0.0 0.0 0
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146052 53628196 1 NOC6H8 ABC6D8 15.92 3.28 0.0 0.0 0
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146053 53628221 1 H2O2C3Cl3 A2B2C3D3 -80.42 2.24 0.0 0.0 0
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146054 53628222 1 NaO2C8H16 AB2C8D16 -99.04 1.69 0.0 0.0 0
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146055 53628322 1 N2O3C9H10 A2B3C9D10 8.28 4.86 -9.72 -1.27 0
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146056 53628673 1 SN2O2F3C21H25 AB2C2D3E21F25 -202.48 6.19 -8.6 -0.79 1
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146057 53628979 1 H5C8 A5B8 222.84 4.24 0.0 0.0 0
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146058 53629324 1 NOC7H13 ABC7D13 -25.38 1.37 -8.68 2.04 0
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146060 53629400 1 Cl2N3C25H25 A2B3C25D25 39.13 4.89 -7.95 -0.23 0
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146061 53629401 1 N3H23C25 A3B23C25 104.72 3.62 -8.14 -0.35 0
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146062 53629402 1 N3H23C26 A3B23C26 124.9 7.24 -8.25 -0.33 0
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146063 53629621 1 SiO5C26H38 AB5C26D38 -244.39 8.28 -8.89 -0.53 0
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146064 53629711 1 NO2C5H8 AB2C5D8 -8.67 6.05 0.0 0.0 0