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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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325047 126679385 1 ON2H30C52 AB2C30D52 217.77 1.64 -8.05 -1.17 0
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325048 126679390 1 ON4H34C56 AB4C34D56 252.42 5.45 -7.97 -1.18 0
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325049 126679392 1 ON2H30C52 AB2C30D52 218.07 2.21 -8.03 -1.19 0
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325050 126679399 1 ON2H18C30 AB2C18D30 109.16 2.83 -8.0 -0.66 0
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325051 126679408 1 N3O7C12H27 A3B7C12D27 -335.74 5.56 -9.26 0.46 0
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325052 126679409 1 N5O12C22H43 A5B12C22D43 -560.5 7.17 -9.24 0.38 0
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325053 126679410 1 FNC18H38 ABC18D38 -133.49 3.5 -8.79 3.16 0
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325054 126679411 1 SN3O9C38H45 AB3C9D38E45 -352.36 2.38 -8.66 -0.74 0
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325055 126679412 1 SN3O5H25C27 AB3C5D25E27 -75.12 3.76 -9.06 -0.92 1
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325056 126679413 1 O4N5C19H24 A4B5C19D24 -32.38 7.14 0.0 0.0 0
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325057 126679414 2 NC4H5 AB4C5 33.3 3.45 -8.17 0.37 0
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325058 126679415 1 S4N7O16C45H45 A4B7C16D45E45 -449.69 12.2 -8.4 -1.42 0
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325059 126679416 1 O2N7C49H51 A2B7C49D51 106.51 8.81 -7.92 -0.89 0
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325060 126679417 1 IC13H21 AB13C21 -18.35 2.25 -9.42 -0.53 0
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325061 126679425 1 BrFSO4N6C23H32 ABCD4E6F23G32 -184.42 6.73 -9.02 -0.98 0
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325062 126679429 1 INOH10C11 ABCD10E11 29.15 3.52 -8.36 -0.65 0
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325063 126679441 1 ON5H17C19 AB5C17D19 98.32 2.81 -9.04 -0.92 0
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325064 126679444 1 FSO4N7C27H36 ABC4D7E27F36 -164.78 5.93 -8.86 -1.46 0
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325065 126679606 1 ON4H36C52 AB4C36D52 218.61 4.49 -7.68 -0.87 0
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325066 126679794 1 O2N4C27H30 A2B4C27D30 14.08 3.62 -8.7 -0.86 0
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325067 126679902 1 BrFO4N6C24H34 ABC4D6E24F34 -197.81 7.28 -8.96 -0.92 0
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325068 126679932 1 ClOF3N5C13H13 ABC3D5E13F13 -138.88 5.68 -8.68 -1.22 0
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325069 126679961 1 FON5C18H18 ABC5D18E18 7.74 4.63 -8.54 -0.54 0
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325070 126679979 1 OF3N5H18C19 AB3C5D18E19 -107.14 6.1 -8.58 -0.81 0
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325071 126680003 1 ClO3N6H23C24 AB3C6D23E24 9.15 4.02 -8.9 -1.03 0
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325072 126680008 1 FN3O9C33H46 AB3C9D33E46 -468.66 3.11 -9.33 -0.31 0
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325073 126680063 1 BrClON3H7C10 ABCD3E7F10 39.39 1.89 -9.43 -1.36 0
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325074 126680111 1 ON5H31C45 AB5C31D45 198.26 4.21 -7.86 -0.62 0
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325075 126680119 1 ON5H33C45 AB5C33D45 189.23 3.94 -8.04 -0.76 0
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325076 126680151 1 ON2H28C50 AB2C28D50 210.78 2.96 -7.97 -1.23 0
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325077 126680167 1 ON4H28C48 AB4C28D48 232.61 5.09 -7.92 -1.27 0
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325078 126680174 1 ON4H28C48 AB4C28D48 223.33 3.34 -8.04 -1.14 0
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325079 126680240 1 ON2H26C46 AB2C26D46 195.21 2.85 -8.04 -1.26 0
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325080 126680351 1 O2N4C25H28 A2B4C25D28 19.15 4.96 -8.67 -0.76 0
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325081 126680368 1 ClNC5H8 ABC5D8 6.54 0.66 -8.92 0.23 0
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325082 126680398 1 FON5C18H18 ABC5D18E18 8.7 4.96 -8.51 -0.5 0
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325083 126680400 1 FO2N7H12C15 AB2C7D12E15 55.16 5.83 -8.97 -1.24 0
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325084 126680405 1 SO4N6H12C13 AB4C6D12E13 23.06 4.44 -9.15 -1.9 0
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325085 126680457 1 O2N3C6H11 A2B3C6D11 -57.03 1.14 -9.52 -0.05 0
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325086 126680471 1 BrN2O4C18H23 AB2C4D18E23 -163.06 2.7 -9.72 -0.77 0
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325087 126680505 1 SN3C24H27 AB3C24D27 59.78 3.62 -7.51 -0.24 0
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325088 126680558 1 FN4C19H19 AB4C19D19 15.56 0.31 -8.32 -0.45 0
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325089 126680568 1 ON5C16H21 AB5C16D21 13.6 5.32 -8.53 0.16 0
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325090 126680595 2 ON3C8H9 AB3C8D9 50.98 6.12 -8.59 -0.86 0
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325091 126680600 1 NO4C10H15 AB4C10D15 -119.08 2.49 -9.98 -0.13 0
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325092 126680602 2 O3C10H11 A3B10C11 -241.25 10.36 -9.57 -0.7 0
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325093 126680607 2 F2O2N3C20H23 A2B2C3D20E23 -288.31 5.03 -8.53 -0.64 0
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325094 126680608 1 FN4O4C19H25 AB4C4D19E25 -194.4 6.77 -8.76 -0.22 0
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325095 126680609 1 N3C28H31 A3B28C31 72.71 3.16 -9.0 -0.4 0
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325096 126680610 1 Cl2F2O2N4C19H20 A2B2C2D4E19F20 -156.79 8.37 -9.32 -1.14 0
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325100 126680642 1 O3H24C28 A3B24C28 -31.1 3.38 -8.94 -0.39 0
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325101 126680697 1 O2F5N7C23H24 A2B5C7D23E24 -221.41 6.46 -8.79 -1.07 0
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325102 126680704 1 F3O3N7C23H26 A3B3C7D23E26 -182.26 3.95 -9.59 -0.94 0
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325103 126680705 1 O3N7C29H33 A3B7C29D33 35.13 8.24 -9.16 -1.02 0
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325104 126680726 1 F2O3N9C29H35 A2B3C9D29E35 -58.8 7.54 -8.46 -0.76 0
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325105 126680764 1 O3N9C29H37 A3B9C29D37 46.32 3.02 -8.12 -0.56 0
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325106 126680774 2 FO2N4C12H16 AB2C4D12E16 -174.97 3.68 -9.02 -0.96 0
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325107 126680820 1 F3O3N8C29H35 A3B3C8D29E35 -104.35 3.5 -8.68 -0.91 0
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325108 126680886 1 ClO4C16H19 AB4C16D19 -160.69 2.89 -8.95 -1.04 0
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325109 126680901 1 N4O8C27H36 A4B8C27D36 -257.83 9.36 -9.37 -1.21 0
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325110 126680907 1 O3C35H60 A3B35C60 -241.47 1.59 -9.09 0.87 0
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325111 126680912 1 SN3O5C43H75 AB3C5D43E75 -343.19 1.35 -9.15 -0.19 0
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325112 126680913 2 N2C7H13 A2B7C13 27.12 2.8 -8.15 0.88 0
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325113 126680918 1 N2Cl4O7H14C31 A2B4C7D14E31 -177.87 5.86 -9.43 -2.29 0
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325114 126680922 1 NC25H31 AB25C31 25.23 2.47 -7.82 0.45 0
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325115 126680944 2 SO3N4C28H32 AB3C4D28E32 -120.68 6.94 -8.45 -0.3 0
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325116 126680945 2 O3N4C26H34 A3B4C26D34 -215.83 10.26 -8.88 -0.4 0
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325117 126680946 2 SO3N4C26H34 AB3C4D26E34 -207.96 2.92 -8.49 0.0 0
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325118 126680953 2 PO4N7C14H26 AB4C7D14E26 -345.6 19.3 -8.67 -1.3 0
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325119 126680976 1 FCl2N4H15C23 AB2C4D15E23 75.42 5.95 -9.05 -0.87 0
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325120 126680981 1 ClOSN3C18H24 ABCD3E18F24 4.95 2.1 -8.74 -0.98 0
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325121 126680989 1 O3F8H16C24 A3B8C16D24 -448.67 7.71 -9.71 -1.46 0
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325122 126681091 1 SF3O4N5C30H34 AB3C4D5E30F34 -234.26 9.52 -9.01 -0.35 0
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325123 126681101 1 ClFSN5O6C34H41 ABCD5E6F34G41 -224.1 4.09 -8.98 -0.12 0
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325124 126681115 1 O9C28H30 A9B28C30 -328.52 2.5 -9.14 -0.36 0
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325125 126681139 1 NC12H17 AB12C17 4.42 2.01 -7.99 0.61 0
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325126 126681150 1 ON2H36C49 AB2C36D49 151.35 3.29 -7.98 -0.5 0
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325127 126681151 1 ON2H34C45 AB2C34D45 135.21 2.33 -7.92 -0.44 0
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325128 126681167 1 ON3H37C50 AB3C37D50 168.87 3.72 -8.0 -0.5 0
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325129 126681187 1 SN2F5H29C45 AB2C5D29E45 -39.19 5.66 -8.19 -1.21 0
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325130 126681201 1 Br2F3O12N13C73H78 A2B3C12D13E73F78 -426.62 7.98 -8.66 -1.26 0
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325131 126681210 2 NH20C29 AB20C29 216.87 2.81 -8.16 -1.08 0
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325132 126681234 1 ClON2C21H23 ABC2D21E23 -2.26 1.81 -8.1 -0.24 0
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325133 126681249 1 F3O3N7H24C28 A3B3C7D24E28 -142.59 0.86 -8.79 -1.14 0
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325134 126681305 1 N3O8C56H85 A3B8C56D85 -302.65 4.09 -9.26 0.17 0
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325135 126681318 1 FSO5N6C32H35 ABC5D6E32F35 -73.95 20.58 -7.86 -1.75 0
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325136 126681322 2 OC4H8 AB4C8 -113.44 0.57 -9.29 1.92 0
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325137 126681328 1 NO2H23C36 AB2C23D36 95.13 1.94 -8.18 -0.58 0
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325138 126681364 2 NOH14C23 ABC14D23 145.65 1.69 -8.19 -0.88 0
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325139 126681376 1 O2N4H30C49 A2B4C30D49 194.49 0.89 -8.45 -1.15 0
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325140 126681386 1 NO2H21C34 AB2C21D34 81.14 1.92 -8.34 -0.74 0
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325141 126681393 2 FON2S3C36H48 ABC2D3E36F48 -122.84 2.86 -8.01 -2.02 0
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325142 126681398 1 FO2N4C30H31 AB2C4D30E31 -8.32 1.95 -9.06 -0.57 0
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325143 126681406 1 FO2N4C29H29 AB2C4D29E29 3.03 2.75 -9.16 -0.78 0
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325144 126681411 1 FO2N5C34H34 AB2C5D34E34 21.11 1.96 -8.42 -0.9 0
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325145 126681424 1 FO2N6C29H29 AB2C6D29E29 54.97 5.31 -9.32 -1.06 0
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325146 126681432 1 FO2N6H29C31 AB2C6D29E31 15.91 6.3 -8.48 -0.85 0
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325147 126681454 1 FO2N6C34H39 AB2C6D34E39 -15.32 7.39 -9.02 -0.55 0
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325148 126681485 1 FOSN6C26H27 ABCD6E26F27 57.63 3.67 -9.21 -0.81 0
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325149 126681486 1 ON7C27H31 AB7C27D31 106.54 1.93 -8.94 -0.63 0