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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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441152 135233352 1 OPN6C26H38 ABC6D26E38 0.46 15.51 0.0 0.0 0
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441153 135233353 1 NO2C21H31 AB2C21D31 -78.59 5.28 -8.2 -0.54 0
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441154 135233355 1 OSN4C24H36 ABC4D24E36 -32.83 5.18 -8.17 -0.43 0
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441155 135233356 1 NSO4C27H37 ABC4D27E37 -150.06 4.7 -8.36 -0.96 0
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441156 135233359 1 O2N8C23H36 A2B8C23D36 0.95 3.99 -8.6 -0.66 0
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441157 135233361 1 ON6C24H38 AB6C24D38 -42.27 2.31 -7.98 0.09 0
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441158 135233364 1 NC21H33 AB21C33 2.33 2.71 -8.11 0.38 0
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441159 135233372 1 O2N5C26H41 A2B5C26D41 -59.32 4.38 -8.03 -0.28 0
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441160 135233373 1 NO4C17H27 AB4C17D27 -157.59 5.72 -8.41 -0.41 0
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441161 135233374 1 O3N6C20H28 A3B6C20D28 -0.31 6.49 -8.58 -0.61 0
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441162 135233375 1 F2N5H17C19 A2B5C17D19 0.39 1.74 -8.81 -0.74 0
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441163 135233376 1 OSN7C24H25 ABC7D24E25 110.21 4.64 -8.24 -0.9 0
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441164 135233389 1 N2C21H32 A2B21C32 25.53 4.3 -7.87 0.18 0
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441165 135233392 1 SN2O5C27H36 AB2C5D27E36 -201.85 6.94 -8.44 -0.55 0
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441166 135233393 1 N2O5C19H28 A2B5C19D28 -229.35 6.12 -9.28 -0.54 0
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441167 135233398 1 SF2N6H10C16 AB2C6D10E16 75.69 3.04 -9.28 -1.85 0
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441168 135233401 1 ON5C28H39 AB5C28D39 -22.4 6.59 -8.04 -0.1 0
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441169 135233402 1 F2N8H12C17 A2B8C12D17 79.13 2.52 -9.1 -1.87 0
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441170 135233403 1 O3N6C23H34 A3B6C23D34 -25.21 3.49 -8.48 -0.54 0
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441171 135233405 1 F2N7H11C17 A2B7C11D17 83.42 5.91 -9.87 -1.9 0
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441172 135233409 1 F3N7H10C17 A3B7C10D17 36.0 4.09 -9.64 -1.83 0
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441173 135233411 1 N2O6C31H40 A2B6C31D40 -244.88 6.96 -8.49 -0.64 0
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441174 135233416 1 OF2N7H15C19 AB2C7D15E19 17.44 6.52 -9.43 -1.58 0
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441175 135233422 1 NO2C22H35 AB2C22D35 -72.45 2.65 -8.87 0.54 0
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441176 135233444 1 SO3N4C26H38 AB3C4D26E38 -97.12 3.83 -7.89 -1.27 0
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441177 135233472 1 NC18H27 AB18C27 27.85 2.18 -8.32 0.08 0
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441178 135233473 2 FN3C11H12 AB3C11D12 -9.61 3.76 -8.5 -0.63 0
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441179 135233474 1 OF2N6H18C20 AB2C6D18E20 -34.98 4.72 -8.65 -0.59 0
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441180 135233476 1 N6H12C13 A6B12C13 134.02 2.83 -9.55 -1.59 0
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441181 135233477 1 NSO6C25H33 ABC6D25E33 -256.88 3.12 -8.93 -1.06 0
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441182 135233486 1 NO7C26H35 AB7C26D35 -283.74 4.83 -8.57 -0.91 0
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441183 135233488 1 O3N6C22H30 A3B6C22D30 -24.07 1.38 -8.41 -0.5 0
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441184 135233489 1 NC31H51 AB31C51 -14.78 2.22 -8.31 0.12 0
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441185 135233498 1 O2N5C26H43 A2B5C26D43 -119.15 6.7 -8.33 0.01 0
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441186 135233502 1 N5H35C49 A5B35C49 359.43 4.1 -8.02 -0.73 0
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441187 135233508 2 NC11H13 AB11C13 78.23 3.78 -8.66 0.07 0
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441188 135233509 1 FN6H15C19 AB6C15D19 97.22 3.57 -9.15 -1.16 0
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441189 135233511 1 F3N6H17C21 A3B6C17D21 -28.05 5.57 -9.19 -1.22 0
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441190 135233515 1 ON6C28H40 AB6C28D40 -24.15 4.83 -8.2 0.01 0
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441191 135233517 1 NC17H23 AB17C23 21.42 1.76 -7.85 0.11 0
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441192 135233519 1 ON7H15C17 AB7C15D17 156.15 0.93 -9.06 -1.13 0
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441193 135233521 1 N3H35C53 A3B35C53 237.74 1.74 -7.86 -0.9 0
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441194 135233527 1 N3H35C51 A3B35C51 226.19 3.06 -7.99 -0.96 0
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441195 135233528 1 N2H42C53 A2B42C53 179.66 2.2 -8.03 -0.58 0
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441196 135233531 1 NH21C32 AB21C32 138.71 2.41 -8.1 -0.82 0
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441197 135233533 1 O2N4C29H44 A2B4C29D44 -83.53 5.07 -7.93 0.25 0
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441198 135233538 1 N5H31C46 A5B31C46 256.49 4.12 -8.82 -1.22 0
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441200 135233587 1 ON3H29C51 AB3C29D51 400.77 5.28 -8.55 -1.17 0
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441201 135233598 1 SO2N4C20H36 AB2C4D20E36 -106.21 4.98 -8.06 0.22 0
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441202 135233603 1 NO6C17H23 AB6C17D23 -248.39 6.21 -9.43 -1.25 0
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441203 135233605 1 NOC17H25 ABC17D25 -26.44 5.37 -8.5 -0.39 0
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441204 135233611 2 NH16C24 AB16C24 210.61 2.06 -8.11 -0.61 0
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441205 135233612 1 N3H31C41 A3B31C41 170.29 1.74 -7.99 -0.48 0
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441206 135233614 1 OSC10H14 ABC10D14 -16.36 2.21 -8.84 -0.26 0
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441207 135233617 1 NI2H11C14 AB2C11D14 86.79 4.17 -8.14 -2.68 0
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441208 135233618 1 O2N5C19H27 A2B5C19D27 -8.14 4.39 -8.35 -0.52 0
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441209 135233619 1 NO6C18H25 AB6C18D25 -255.56 5.08 -9.24 -0.8 0
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441210 135233627 1 BrOH23C36 ABC23D36 116.7 0.24 -9.03 -0.89 0
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441211 135233629 1 N5H29C47 A5B29C47 285.19 2.87 -9.42 -1.32 0
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441212 135233633 2 ON3C11H16 AB3C11D16 -42.13 1.78 -8.47 -0.15 0
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441213 135233641 2 NOH15C26 ABC15D26 183.21 4.57 -8.57 -1.1 0
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441214 135233649 1 NC14H15 AB14C15 55.76 1.29 -7.92 -0.2 0
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441215 135233653 1 NO5C17H23 AB5C17D23 -217.65 6.5 -9.4 -0.9 0
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441216 135233654 1 O2N7C20H31 A2B7C20D31 -2.19 1.76 -8.34 -0.37 0
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441217 135233680 1 OS2N6C22H34 AB2C6D22E34 -9.42 3.18 -8.02 -0.57 1
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441218 135233690 1 OPN6C24H42 ABC6D24E42 -24.13 15.74 0.0 0.0 0
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441219 135233703 1 O3C14H16 A3B14C16 -110.55 1.36 -9.74 -0.8 0
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441220 135233706 1 SO2N4C27H42 AB2C4D27E42 -87.36 3.92 -7.9 -0.34 0
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441221 135233711 2 NC11H17 AB11C17 33.32 3.24 -8.1 0.1 0
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441222 135233716 1 NO2C19H37 AB2C19D37 -153.08 4.76 -9.73 1.08 0
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441223 135233718 1 N3H37C52 A3B37C52 225.07 5.46 -7.87 -0.63 0
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441224 135233720 1 SN2O6C26H34 AB2C6D26E34 -171.58 3.36 -8.93 -1.38 0
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441225 135233725 1 N2H34C45 A2B34C45 168.0 3.25 -7.75 -0.58 0
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441226 135233726 1 ON6C24H40 AB6C24D40 -34.47 6.25 -7.94 0.04 0
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441227 135233728 1 O2N7C24H37 A2B7C24D37 -18.37 3.85 -8.27 -0.28 0
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441228 135233730 2 NH17C24 AB17C24 207.94 1.27 -7.92 -0.41 0
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441229 135233731 1 NH23C26 AB23C26 92.27 2.18 -8.2 -0.16 0
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441230 135233734 1 N2O5C35H46 A2B5C35D46 -202.87 3.82 -8.15 -0.16 0
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441231 135233735 1 S2O4N5C27H37 A2B4C5D27E37 -120.27 5.12 -8.58 -0.77 0
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441232 135233736 1 OS2N5C26H39 AB2C5D26E39 -3.38 1.87 -8.1 -0.07 0
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441233 135233740 1 ON3H25C41 AB3C25D41 180.83 1.61 -8.8 -1.12 0
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441234 135233750 2 NH17C24 AB17C24 208.27 2.91 -7.89 -0.37 0
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441235 135233754 1 NH21C22 AB21C22 92.68 2.33 -8.28 -0.47 0
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441236 135233755 2 NH18C23 AB18C23 163.44 0.79 -7.89 -0.39 0
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441237 135233758 1 SN2H28C38 AB2C28D38 191.05 3.42 -8.38 -1.08 0
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441238 135233759 1 OSN5C25H37 ABC5D25E37 -31.96 3.0 -7.95 -0.04 0
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441239 135233763 1 OF2N6H14C18 AB2C6D14E18 -20.67 3.19 -9.05 -0.9 0
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441240 135233766 2 N2C5H6 A2B5C6 55.27 3.35 -8.62 -0.52 0
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441241 135233767 1 O3N4C17H28 A3B4C17D28 -82.19 3.32 -8.25 -0.83 0
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441242 135233768 1 ON4C17H28 AB4C17D28 -41.2 3.18 -8.6 -0.3 0
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441243 135233769 1 O2N3C20H29 A2B3C20D29 -40.56 3.88 -8.52 -0.43 0
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441244 135233772 1 NOC15H19 ABC15D19 -26.75 6.43 -9.45 -0.38 0
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441245 135233774 1 F2N6C11H20 A2B6C11D20 -26.79 5.19 -8.46 0.2 0
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441246 135233780 1 NO2C23H27 AB2C23D27 -48.53 2.66 -9.34 -0.4 0
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441247 135233812 1 N4H44C53 A4B44C53 291.82 3.41 -7.62 -0.66 0
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441248 135233813 2 N2H18C23 A2B18C23 283.5 3.29 -7.63 -0.81 0
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441249 135233814 2 N2H19C25 A2B19C25 276.08 3.8 -7.84 -0.96 0
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441250 135233819 1 NOH41C53 ABC41D53 184.66 4.27 -8.6 -0.71 0
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441251 135233821 1 OI2H8C12 AB2C8D12 47.7 2.43 -8.8 -1.12 0
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441252 135233825 1 ON4H26C39 AB4C26D39 184.56 0.63 -8.23 -1.13 0