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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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14917 424168 1 NiCl2N2O2H10C14 AB2C2D2E10F14 49.79 3.66 -8.03 -1.18 0
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14918 424184 1 NOC10H11 ABC10D11 -3.35 0.88 -9.94 -0.58 0
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14919 424186 1 NOH13C15 ABC13D15 32.49 0.98 -9.79 -0.53 0
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14921 424195 1 SnBr2N2O2C20H28 AB2C2D2E20F28 -3.77 12.41 -7.7 -3.31 -2
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14923 424202 1 VN2O3H30C32 AB2C3D30E32 -52.47 5.4 0.0 0.0 0
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14924 424211 2 NOC9H10 ABC9D10 -11.42 3.31 -8.95 -0.23 0
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14926 424388 1 NO3C14H19 AB3C14D19 -123.53 5.24 -9.94 -0.47 0
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14927 424426 1 N5O16C45H53 A5B16C45D53 -399.09 14.27 -9.05 -2.46 0
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14928 424427 1 N5O16C45H54 A5B16C45D54 -409.98 6.28 0.0 0.0 1
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14930 424468 1 N2H18C21 A2B18C21 85.18 4.05 -8.22 -1.09 0
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14931 424488 1 NO4C12H21 AB4C12D21 -172.92 1.48 -9.15 1.06 0
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14932 424490 1 ClN2H15C17 AB2C15D17 50.11 1.6 -8.29 -0.83 0
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14933 424493 1 N5O10C28H33 A5B10C28D33 -347.7 10.3 -9.17 -2.12 0
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14934 424497 1 CuN4O6C10H18 AB4C6D10E18 -216.0 4.25 0.0 0.0 0
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14935 424511 1 ON2H14C15 AB2C14D15 29.32 3.26 -8.98 -0.22 0
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14936 424512 1 ZnN2O4H15C20 AB2C4D15E20 -18.99 6.4 0.0 0.0 -1
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14937 424584 1 NOC19H19 ABC19D19 37.18 2.48 -7.92 -0.13 0
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14938 424891 1 FeN2O10C22H26 AB2C10D22E26 -289.35 8.02 -8.54 -0.78 0
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14939 424892 1 NO5C11H13 AB5C11D13 -168.59 7.43 -9.09 -1.01 0
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14940 424915 1 NO2C7H9 AB2C7D9 -55.53 2.44 -8.51 -0.37 0
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14941 425040 2 NC8H15 AB8C15 72.46 0.49 -8.84 1.1 2
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14942 425043 1 O2N3H17C22 A2B3C17D22 14.86 5.99 -8.58 -1.56 0
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14943 425044 1 SO2N4H8C10 AB2C4D8E10 91.76 6.92 -9.11 -1.86 0
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14945 425046 1 NNiO4C9H12 ABC4D9E12 -61.94 5.61 0.0 0.0 -1
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14946 425047 1 GaN2C18H27 AB2C18D27 31.36 3.56 -9.49 -1.0 -2
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14948 425064 4 NOC9H15 ABC9D15 -100.81 4.75 -6.43 0.16 2
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14949 425069 1 NOC16H19 ABC16D19 3.23 0.62 -8.84 0.28 0
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14950 425071 2 NOC11H13 ABC11D13 -51.94 3.2 -8.48 -0.84 0
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14951 425074 1 NOF3C21H22 ABC3D21E22 -149.87 4.91 -9.21 -0.5 0
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14952 425078 1 NOC18H27 ABC18D27 -46.7 2.06 -8.24 0.12 0
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14953 425080 1 NO2C20H29 AB2C20D29 -98.67 2.39 -8.47 0.17 0
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14954 425099 1 N2O2C17H22 A2B2C17D22 -77.64 1.21 -9.11 -0.09 0
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14955 425107 1 NO3C23H27 AB3C23D27 -70.74 2.27 -8.83 -0.08 0
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14956 425125 1 N4C14H17 A4B14C17 128.69 15.02 0.0 0.0 1
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14957 425130 1 N4C17H17 A4B17C17 109.33 2.54 0.0 0.0 1
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14960 425148 1 NC11H15 AB11C15 39.69 1.53 -8.84 0.41 0
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14961 425178 1 O4C7H12 A4B7C12 -187.95 6.8 -10.2 0.36 0
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14962 425280 1 NO3C19H27 AB3C19D27 -130.99 1.32 -8.9 0.09 0
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14963 425284 1 NO2F6H10C11 AB2C6D10E11 -361.47 3.03 0.0 0.0 1
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14965 425418 1 NO3C8H8 AB3C8D8 -48.68 0.52 0.0 0.0 1
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14966 425437 1 HgO2C13H19 AB2C13D19 -77.28 5.75 0.0 0.0 0
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14967 425510 1 NO5C15H17 AB5C15D17 -165.4 4.26 -10.11 -0.94 0
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14968 425535 1 O2N9H13C15 A2B9C13D15 146.11 7.01 -9.25 -1.5 0
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14970 425612 1 NO2C14H14 AB2C14D14 -30.08 2.54 0.0 0.0 1
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14972 425642 1 O2N4C19H30 A2B4C19D30 -46.62 1.99 -9.52 0.24 0
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14973 425648 2 FeCl2N2C14H21 AB2C2D14E21 68.32 5.04 -6.94 -1.3 -2
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14974 425650 1 CoON4C29H46 ABC4D29E46 -69.0 30.81 0.0 0.0 -1
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14975 425681 1 CoSN5O7C13H22 ABC5D7E13F22 -111.57 13.44 -10.64 -5.63 -1
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14976 425717 1 ClN2S2O4C8H25 AB2C2D4E8F25 -110.39 2.44 -7.68 0.12 2
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14977 425770 10 C A 549.62 0.01 -9.67 -1.84 -10
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14979 425814 1 PS2C19H34 AB2C19D34 -44.7 8.73 0.0 0.0 0
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14980 425828 1 SN2C13H20 AB2C13D20 0.51 3.0 -8.71 -0.1 0
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14982 425905 1 ZnH4O4C10F12 AB4C4D10E12 -736.6 4.56 -8.5 -2.04 0
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14983 425957 1 PSC5H13 ABC5D13 -75.62 6.37 -8.54 1.57 0
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14984 426093 1 ON3C29H45 AB3C29D45 -46.96 4.02 -8.18 -0.42 0
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14985 426112 1 ON3C27H43 AB3C27D43 -39.35 3.68 -8.43 -0.38 0
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14986 426115 1 N4C17H20 A4B17C20 94.37 2.19 -9.09 0.28 0
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14987 426140 2 NC20H29 AB20C29 10.7 5.11 -7.71 -0.02 0
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14988 426178 1 O2N5C27H39 A2B5C27D39 -23.09 1.7 -8.67 -0.41 0
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14989 426188 1 NOC18H27 ABC18D27 -37.07 1.25 -8.48 0.3 0
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14990 426219 1 NO5C21H37 AB5C21D37 -259.94 4.86 -9.82 0.11 0
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14991 426229 1 N2O3C23H26 A2B3C23D26 -83.08 3.59 -8.51 -0.17 0
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14992 426303 1 ZnN4O6C8H14 AB4C6D8E14 -251.1 7.7 -8.87 -0.38 0
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14993 426305 1 O2N5C6H7 A2B5C6D7 54.72 2.26 -9.41 -1.42 0
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14994 426306 1 O2N5C7H9 A2B5C7D9 54.35 5.83 -10.24 -1.08 0
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14995 426314 1 NS2O5C23H26 AB2C5D23E26 -110.93 23.8 0.0 0.0 1
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14996 426444 1 NS2C27H54 AB2C27D54 -21.08 3.18 0.0 0.0 1
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14997 426596 2 NC5H9 AB5C9 -13.38 2.49 -8.82 2.54 0
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14998 426638 1 ClN2C12H13 AB2C12D13 38.12 4.92 -9.25 -0.22 0
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14999 426661 1 Cl3N4C22H23 A3B4C22D23 54.98 6.64 -8.82 -0.61 0
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15000 426730 1 OBr2N2H12C19 AB2C2D12E19 63.68 3.28 -8.48 -1.31 0
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15001 426736 1 NSO9C24H27 ABC9D24E27 -308.14 4.64 -7.59 -0.73 0
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15002 426798 1 SN3O4H20C25 AB3C4D20E25 41.48 5.32 0.0 0.0 1
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15003 426821 1 SN7O8H33C36 AB7C8D33E36 40.2 5.7 -7.66 -1.55 2
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15004 426841 1 ClNSH4O5C6 ABCD4E5F6 -104.87 5.48 -10.95 -2.31 0
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15005 426915 1 NSnC26H26 ABC26D26 127.1 1.81 0.0 0.0 1
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15006 426984 1 NC14H25 AB14C25 -7.99 1.69 -8.76 1.4 0
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15007 427043 2 O2C3N5H6 A2B3C5D6 111.68 3.54 -9.34 -1.51 0
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15008 427063 1 NOC17H30 ABC17D30 -59.75 3.55 0.0 0.0 1
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15009 427065 1 NOC15H26 ABC15D26 -56.71 2.98 0.0 0.0 1
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15010 427066 1 NOC23H35 ABC23D35 -37.58 2.43 -8.16 0.34 0
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15011 427067 1 NOC17H30 ABC17D30 -69.84 3.13 0.0 0.0 1
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15012 427068 1 ON3H11C12 AB3C11D12 45.13 3.71 -9.11 -0.43 0
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15013 427105 1 N2O5C17H22 A2B5C17D22 -149.24 6.06 -9.11 -0.67 0
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15014 427112 1 SO2N5C11H17 AB2C5D11E17 -7.48 0.94 -8.88 -1.08 0
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15015 427113 1 ON6C7H11 AB6C7D11 37.75 4.29 0.0 0.0 1
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15017 427204 2 NO4C20H23 AB4C20D23 -106.31 2.62 -8.01 -0.19 0
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15018 427303 1 O2N5C12H15 A2B5C12D15 -29.08 5.07 -9.22 -1.03 0
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15019 427320 1 NO10C21H25 AB10C21D25 -400.87 2.69 -9.06 -1.38 0
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15020 427349 1 FS2O4N5H14C19 AB2C4D5E14F19 -69.0 7.29 -9.59 -1.74 0
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15021 427359 1 ClN2O2C7H7 AB2C2D7E7 11.69 4.28 -9.98 -1.23 0
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15022 427395 1 O5N8C19H20 A5B8C19D20 -117.73 3.63 -8.81 -1.16 0
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15023 427405 1 N2O4C15H16 A2B4C15D16 -44.47 6.32 -8.64 -1.37 0
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15024 427445 1 ON2C16H18 AB2C16D18 20.52 4.6 -8.23 -0.2 0
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15025 427453 1 ON5C12H17 AB5C12D17 4.15 3.92 -8.91 -0.31 0
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15026 427454 1 ClN5H14C15 AB5C14D15 85.85 3.79 -9.06 -0.57 0
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15027 427455 1 N5C9H19 A5B9C19 8.9 3.08 -9.25 0.74 0
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15028 427479 1 FSCl2N2O4H16C20 ABC2D2E4F16G20 -136.75 6.69 0.0 0.0 1
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15029 427481 1 FSCl2N2O4H18C21 ABC2D2E4F18G21 -144.91 7.11 0.0 0.0 1
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15030 427738 1 PdN2Cl3H9C12 AB2C3D9E12 179.44 7.22 -6.67 -1.59 -2