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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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165091 74499342 1 O3N4C27H31 A3B4C27D31 -53.37 3.97 0.0 0.0 0
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165092 74499431 1 N2O2H20C21 A2B2C20D21 30.0 3.33 -8.81 -1.16 0
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165093 74499432 1 ClNO4C24H28 ABC4D24E28 -101.4 4.67 -8.71 -0.52 0
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165094 74499433 1 FSN3O3H24C25 ABC3D3E24F25 -50.5 3.62 -8.77 -0.93 0
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165095 74499434 1 N2O3H20C21 A2B3C20D21 -7.56 2.3 -8.76 -1.23 0
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165096 74499976 1 SN3C21H27 AB3C21D27 60.04 3.52 -8.48 -0.42 1
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165097 74499977 1 N2O2C21H29 A2B2C21D29 -27.45 4.85 0.0 0.0 2
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165098 74499978 1 OSN5C20H31 ABC5D20E31 122.76 55.93 -3.84 -2.92 0
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165099 74500480 1 ClFO2N5C26H31 ABC2D5E26F31 -81.15 5.48 -8.92 -0.34 2
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165100 74500481 2 NOC10H20 ABC10D20 -93.8 6.99 -6.05 1.53 1
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165101 74500482 1 N2O4C20H31 A2B4C20D31 -128.49 2.62 0.0 0.0 2
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165102 74500483 1 SF2N2O2C21H28 AB2C2D2E21F28 -24.53 27.47 -3.96 -2.05 0
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165103 74501074 1 SN2O3C20H20 AB2C3D20E20 -35.06 1.23 -8.47 -0.26 1
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165104 74501075 1 N2O3C26H31 A2B3C26D31 -55.85 6.1 0.0 0.0 0
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165105 74501076 1 N2O3C26H30 A2B3C26D30 -60.44 5.59 -8.79 -0.14 1
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165106 74501077 1 N3O3C25H36 A3B3C25D36 -109.46 2.1 0.0 0.0 0
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165107 74501078 1 N3O3C25H35 A3B3C25D35 -117.33 9.54 -8.1 -0.3 0
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165108 74501087 1 FN3C22H28 AB3C22D28 2.55 3.73 -8.64 -0.32 0
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165109 74501088 1 F2N2O2H18C19 A2B2C2D18E19 -101.54 2.06 -8.94 -0.21 1
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165110 74501698 1 ClFN2O3C30H33 ABC2D3E30F33 -91.3 4.13 0.0 0.0 0
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165111 74501699 1 ClN2O4C21H23 AB2C4D21E23 -94.76 4.68 -8.07 -0.17 1
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165112 74501949 1 O3N4C28H29 A3B4C28D29 4.85 13.91 0.0 0.0 0
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165113 74501950 1 O3N4C28H28 A3B4C28D28 59.92 4.49 -8.88 -1.6 1
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165114 74501991 1 N4O4C24H37 A4B4C24D37 -135.57 6.17 0.0 0.0 -1
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165115 74502203 1 NS2O8H14C20 AB2C8D14E20 -210.84 1.14 0.0 0.0 1
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165116 74502351 1 NOC9H20 ABC9D20 -43.94 2.96 0.0 0.0 1
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165117 74502352 1 ON3C19H20 AB3C19D20 46.24 4.04 0.0 0.0 1
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165118 74502353 1 O2N3C21H24 A2B3C21D24 -2.81 2.84 0.0 0.0 1
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165119 74502354 1 ON2C7H15 AB2C7D15 -32.38 5.6 0.0 0.0 1
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165120 74502355 1 ON2C6H13 AB2C6D13 -20.96 5.12 0.0 0.0 1
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165121 74502356 1 ON2C7H15 AB2C7D15 -26.79 5.35 0.0 0.0 -1
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165122 74502459 1 SN2O5H19C23 AB2C5D19E23 -58.14 4.53 0.0 0.0 -1
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165123 74502607 1 ClN3O6H11C19 AB3C6D11E19 3.47 7.22 0.0 0.0 2
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165124 74502856 1 SN2O2C21H38 AB2C2D21E38 -58.24 17.86 -6.15 -0.59 2
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165125 74502857 1 N3O4C20H33 A3B4C20D33 -60.27 16.02 -6.2 -0.26 1
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165126 74502858 1 O2N5C24H30 A2B5C24D30 -2.35 5.59 0.0 0.0 1
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165127 74503444 1 O2N3C25H40 A2B3C25D40 -90.14 4.43 0.0 0.0 1
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165128 74503445 1 N3O5C20H32 A3B5C20D32 -187.38 8.47 0.0 0.0 0
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165129 74503446 1 FON4H21C22 ABC4D21E22 18.5 5.63 -8.74 -0.99 1
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165130 74503447 1 SN2O3C20H31 AB2C3D20E31 -98.73 5.71 0.0 0.0 0
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165131 74503515 1 N2O4C21H24 A2B4C21D24 -71.24 3.38 -8.53 -0.55 1
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165132 74503516 1 F2N2O2C19H21 A2B2C2D19E21 -105.39 3.43 0.0 0.0 2
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165133 74503656 1 ClN4O4C21H33 AB4C4D21E33 -56.45 13.26 -6.4 -0.93 1
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165134 74503686 1 OSN2C23H25 ABC2D23E25 35.07 5.51 0.0 0.0 1
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165135 74503777 1 N4C21H25 A4B21C25 105.54 2.9 0.0 0.0 1
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165136 74503885 1 N2O3C22H27 A2B3C22D27 -68.99 4.61 0.0 0.0 2
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165137 74503959 1 N3O4C23H33 A3B4C23D33 -90.36 11.49 -6.07 -0.24 0
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165138 74504502 1 NCl2O3H15C17 AB2C3D15E17 -71.69 2.5 -8.25 -0.84 0
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165139 74504519 1 ClNO5C22H26 ABC5D22E26 -160.02 3.71 -8.17 -0.79 0
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165140 74504862 1 BrO2N5H14C17 AB2C5D14E17 67.64 10.86 -9.17 -1.22 0
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165141 74505087 1 NO4C18H19 AB4C18D19 -118.95 4.58 -8.5 -1.35 -1
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165142 74505181 1 BrN2O5H16C20 AB2C5D16E20 -30.66 23.11 0.0 0.0 0
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165143 74505261 1 N2O3C24H32 A2B3C24D32 -102.49 7.19 -9.05 -0.19 1
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165144 74505262 1 N3O3C29H32 A3B3C29D32 -35.32 3.06 0.0 0.0 0
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165145 74505263 1 N3O3C29H31 A3B3C29D31 -43.96 3.66 -8.5 -0.21 1
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165146 74505397 1 N4O5C27H37 A4B5C27D37 -155.37 4.88 0.0 0.0 0
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165147 74505398 1 N4O5C27H36 A4B5C27D36 -180.56 5.33 -8.62 -0.18 1
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165148 74505740 1 N2O2C18H27 A2B2C18D27 -51.85 3.41 0.0 0.0 0
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165149 74505741 2 NOC9H13 ABC9D13 -76.29 2.49 -8.73 0.24 0
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165150 74506323 1 O2N3C24H35 A2B3C24D35 -57.14 2.79 -8.98 -0.52 1
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165151 74506324 1 N3O3C29H38 A3B3C29D38 -58.62 5.5 0.0 0.0 0
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165152 74506325 1 N3O3C29H37 A3B3C29D37 -59.72 10.11 -8.89 -0.74 1
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165153 74506326 1 N3O3C29H38 A3B3C29D38 -59.19 6.88 0.0 0.0 1
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165154 74506711 1 FO2N4H20C21 AB2C4D20E21 19.58 3.73 0.0 0.0 0
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165155 74506859 1 O2N5H21C23 A2B5C21D23 74.21 3.51 -9.35 -1.21 0
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165156 74507338 1 N4O4H18C19 A4B4C18D19 -41.84 4.12 -10.0 -1.37 0
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165157 74507356 2 N2O3H9C10 A2B3C9D10 -57.0 8.05 -9.98 -1.81 1
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165158 74507357 1 N4O4C13H15 A4B4C13D15 12.68 9.66 0.0 0.0 0
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165159 74507488 1 SN3O3C21H29 AB3C3D21E29 -132.12 5.67 -8.99 -0.46 0
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165160 74508120 1 ClNF3O3H15C19 ABC3D3E15F19 -240.83 1.73 -9.48 -1.37 0
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165161 74508406 1 SN2F3O4C21H21 AB2C3D4E21F21 -265.85 9.3 -9.09 -1.25 1
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165162 74508621 1 ClFO3N4C21H27 ABC3D4E21F27 -140.57 5.03 0.0 0.0 1
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165163 74509063 1 SO2N5C19H32 AB2C5D19E32 -53.98 8.88 0.0 0.0 0
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165164 74509064 1 SO2N5C19H31 AB2C5D19E31 -75.84 6.22 -8.88 -0.04 1
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165165 74509065 1 SO3N5C19H34 AB3C5D19E34 -112.75 10.51 0.0 0.0 0
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165166 74509516 1 NO4C20H21 AB4C20D21 -100.62 5.42 -8.72 -0.54 0
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165167 74510170 1 N3O5C23H29 A3B5C23D29 -156.88 16.7 -9.52 -0.85 0
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165168 74510401 1 N2O2C23H32 A2B2C23D32 -90.45 4.67 -9.27 -0.12 0
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165169 74510440 2 NO3C10H11 AB3C10D11 -155.23 5.95 -8.55 -0.59 0
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165170 74510536 1 N2O5C17H22 A2B5C17D22 -193.8 3.58 -9.25 -1.07 1
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165171 74511316 1 N4O6C10H11 A4B6C10D11 -131.77 4.52 0.0 0.0 0
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165172 74511317 1 NO4C20H23 AB4C20D23 -107.37 3.95 -8.46 -0.63 1
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165173 74511318 1 N3O4H18C19 A3B4C18D19 -69.54 8.77 0.0 0.0 0
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165174 74511468 1 SF2N3O7C21H21 AB2C3D7E21F21 -239.59 5.24 -9.26 -1.92 0
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165175 74511612 1 SF2N2O3C16H18 AB2C2D3E16F18 -163.12 2.55 -9.15 -1.19 0
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165176 74511613 1 ClSF2N2O3H17C19 ABC2D2E3F17G19 -149.51 6.36 -9.51 -1.2 1
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165177 74512265 1 SO2N3C23H28 AB2C3D23E28 18.67 5.17 0.0 0.0 1
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165178 74512266 1 BrSO2N3C22H25 ABC2D3E22F25 30.71 7.65 0.0 0.0 1
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165179 74512267 1 N2O2C18H23 A2B2C18D23 -30.88 3.78 0.0 0.0 1
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165180 74512268 1 N2O2C19H25 A2B2C19D25 -31.62 3.1 0.0 0.0 1
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165181 74512269 1 N2O2C19H25 A2B2C19D25 -31.33 2.98 0.0 0.0 1
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165182 74512488 1 N2O3C23H29 A2B3C23D29 -57.31 13.45 0.0 0.0 1
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165183 74512706 1 N4O4C18H19 A4B4C18D19 -102.97 6.34 0.0 0.0 1
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165184 74512724 1 N5O5C19H20 A5B5C19D20 -142.97 10.08 0.0 0.0 0
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165185 74513389 1 SN2O7C24H30 AB2C7D24E30 -220.67 5.07 -8.17 -0.86 0
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165186 74513875 1 N3O3H21C22 A3B3C21D22 -17.93 5.4 -8.76 -0.59 0
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165187 74513876 1 NO5C22H25 AB5C22D25 -138.47 3.98 -8.4 -0.51 0
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165188 74513884 1 O4N5C25H35 A4B5C25D35 -160.23 5.76 -9.32 -0.71 0
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165189 74513976 1 BrFSO2N3H15C20 ABCD2E3F15G20 -23.78 3.56 -8.95 -1.48 0
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165190 74514037 1 ClNO4C20H22 ABC4D20E22 -114.63 3.57 -8.49 -0.75 1