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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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24171 608257 1 O3H12C14 A3B12C14 -62.04 3.54 -9.94 -1.95 0
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24172 608258 5 C3H4 A3B4 -16.88 1.14 -8.93 0.66 0
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24173 608259 1 NS2O6C17H23 AB2C6D17E23 -230.39 6.25 -8.59 -0.92 0
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24174 608263 5 C3H4 A3B4 -20.71 0.07 -8.45 0.69 0
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24175 608268 1 SiCl2H6C8 AB2C6D8 -41.92 2.0 -9.26 -0.85 0
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24176 608269 1 SN2H8C11 AB2C8D11 76.54 6.92 -8.65 -0.91 0
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24177 608270 1 ON2C12H12 AB2C12D12 19.85 2.36 -8.02 -0.43 0
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24178 608287 1 O2H12C13 A2B12C13 -38.65 0.7 -10.12 -1.05 0
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24179 608291 1 NOC22H33 ABC22D33 -70.33 6.34 -8.58 -0.32 0
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24180 608293 1 NO2C15H17 AB2C15D17 -76.84 3.29 -8.69 -0.47 0
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24181 608294 1 BrNOC8H8 ABCD8E8 -20.87 1.76 -8.84 -0.79 0
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24182 608295 1 N2O2H8C11 A2B2C8D11 1.59 8.45 -10.02 -0.61 0
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24183 608317 1 Br2O2H8C9 A2B2C8D9 -60.51 1.88 -9.97 -1.0 0
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24184 608318 1 MoO3H8C11 AB3C8D11 184.58 5.14 -7.85 -1.0 -6
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24185 608324 1 NOCl2H7C9 ABC2D7E9 -5.04 1.34 -9.64 -0.99 0
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24186 608351 1 NPC20H20 ABC20D20 55.92 0.4 -8.33 0.19 0
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24187 608357 2 NO2H4C8 AB2C4D8 57.76 8.91 -9.46 -2.5 0
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24188 608363 2 NOH9C11 ABC9D11 16.37 6.82 -8.21 -1.35 0
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24189 608367 1 SO2N4C19H20 AB2C4D19E20 5.17 2.16 -8.89 -0.83 0
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24190 608378 1 O5C23H34 A5B23C34 -258.98 7.34 -10.26 -0.5 0
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24191 608384 1 ClNO3C11H14 ABC3D11E14 -118.06 3.81 -8.4 -0.3 0
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24192 608387 1 ON3C16H23 AB3C16D23 -21.54 3.09 -7.83 -0.2 0
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24193 608391 2 NOC6H6 ABC6D6 -23.26 2.34 -8.98 -1.26 0
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24194 608406 1 Si4C13H36 A4B13C36 -164.38 0.53 -8.86 1.96 0
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24195 608407 1 OSiC14H32 ABC14D32 -149.34 1.78 -8.69 1.24 0
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24196 608411 1 SiO2C13H28 AB2C13D28 -192.35 2.73 -9.23 0.69 0
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24197 608412 1 NPO2H16C18 ABC2D16E18 -1.14 0.92 -9.05 -0.83 0
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24198 608413 1 NOPH16C19 ABCD16E19 18.94 3.04 -9.69 -0.12 0
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24199 608414 1 N2O2F3H9C12 A2B2C3D9E12 -166.62 3.53 -9.11 -1.32 0
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24200 608415 1 OPH19C20 ABC19D20 -11.07 4.33 -8.81 -0.1 0
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24201 608416 1 O2N3H13C16 A2B3C13D16 3.68 1.7 -8.64 -1.0 0
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24202 608417 1 NOC13H15 ABC13D15 -17.41 4.7 -8.5 0.0 0
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24203 608419 1 SiO2C13H28 AB2C13D28 -189.57 3.14 -9.51 0.61 0
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24204 608423 1 OSN2H10C11 ABC2D10E11 63.0 3.48 -8.94 -0.91 0
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24205 608427 1 SiO2C14H30 AB2C14D30 -205.83 2.42 -8.88 1.25 0
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24206 608431 2 NOC6H6 ABC6D6 -42.36 6.01 -9.54 -0.96 0
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24207 608432 1 N2O2H18C19 A2B2C18D19 25.63 8.34 -8.39 -0.97 0
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24208 608437 1 OSiCl2C13H14 ABC2D13E14 -70.23 2.69 -8.78 -0.55 0
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24209 608438 1 N2C23H34 A2B23C34 34.32 3.47 -8.45 0.23 0
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24210 608439 1 PO3H21C22 AB3C21D22 -94.97 4.51 -9.48 -0.41 0
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24211 608440 1 NO4C17H21 AB4C17D21 -171.24 10.97 -8.87 -0.92 0
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24212 608442 1 ClOH2Br3C3 ABC2D3E3 -27.65 1.77 -10.78 -1.81 0
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24213 608443 1 ClFOS2N4H12C14 ABCD2E4F12G14 21.17 6.32 -8.41 -1.04 0
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24214 608446 2 OC7H8 AB7C8 -42.06 1.34 -8.94 -0.4 0
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24215 608447 1 SiO2C12H26 AB2C12D26 -188.14 2.91 -9.55 0.68 0
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24216 608448 1 O4C19H38 A4B19C38 -239.99 1.93 -9.65 0.81 0
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24217 608449 1 ON3C11H11 AB3C11D11 23.3 3.32 -8.86 -0.83 0
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24218 608468 1 NS2O3C14H19 AB2C3D14E19 -109.17 3.68 -9.15 -0.31 0
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24219 608469 1 O2N3H7C10 A2B3C7D10 81.63 4.86 -8.42 -1.48 0
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24220 608470 1 NOC13H15 ABC13D15 -3.59 3.56 -8.48 -0.54 0
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24221 608472 1 O3N4H22C23 A3B4C22D23 -30.52 4.1 -8.29 -0.66 0
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24222 608480 1 ClN2O3C22H27 AB2C3D22E27 -80.37 1.4 -8.91 -0.17 0
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24223 608486 1 NO3H7C11 AB3C7D11 -83.23 3.9 -9.42 -1.26 0
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24224 608490 2 AlNC5H16 ABC5D16 81.28 2.23 -8.41 0.73 -4
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24225 608500 1 NOSH7C11 ABCD7E11 62.03 3.78 -8.32 -1.19 0
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24226 608505 1 NO2H11C12 AB2C11D12 -27.96 2.86 -8.43 -0.69 0
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24227 608524 1 N2O5H12C13 A2B5C12D13 -81.48 3.43 -8.94 -2.06 0
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24228 608541 1 NPO2C16H20 ABC2D16E20 -72.67 6.44 -9.41 0.03 0
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24229 608543 1 NPO4H20C22 ABC4D20E22 -55.52 6.23 -9.42 -1.13 0
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24230 608550 1 BrO2C21H33 AB2C21D33 -119.99 2.85 -9.9 -0.72 0
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24231 608560 1 BrO2C24H39 AB2C24D39 -138.03 3.22 -9.91 -0.91 0
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24232 608561 1 BrNOC7H8 ABCD7E8 -27.67 2.96 -9.2 -0.5 0
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24233 608576 2 OC7H8 AB7C8 -41.78 2.38 -9.3 -0.07 0
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24234 608583 1 O3C15H16 A3B15C16 -97.25 4.46 -9.39 -1.32 0
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24235 608610 2 PO2C14H14 AB2C14D14 -125.67 7.05 -9.46 -0.24 0
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24236 608611 1 N2O3C14H16 A2B3C14D16 -88.08 5.54 -8.29 -0.62 0
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24237 608613 1 OP2H20C24 AB2C20D24 24.16 2.93 -8.63 -0.21 0
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24238 608614 1 ON4C27H42 AB4C27D42 -35.18 4.45 -7.87 -0.21 0
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24239 608622 1 ON3C17H21 AB3C17D21 7.78 3.61 -7.97 -0.34 0
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24240 608659 1 NO2F3C22H32 AB2C3D22E32 -265.3 2.88 -9.57 -1.49 0
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24241 608662 1 O2N3H17C18 A2B3C17D18 11.97 2.34 -8.87 -0.82 0
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24242 608677 1 NSiO2C15H21 ABC2D15E21 -109.38 4.3 -8.27 0.13 0
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24243 608678 1 NO3Si3C20H35 AB3C3D20E35 -262.25 4.28 -8.26 0.16 0
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24244 608696 1 NO2C16H23 AB2C16D23 -84.83 2.56 -8.61 0.22 0
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24245 608719 1 OSN3C11H11 ABC3D11E11 21.61 4.76 -9.0 -1.09 0
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24246 608733 1 NPC14H32 ABC14D32 -50.97 0.97 -8.49 2.78 0
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24247 608734 1 ClON5H8C9 ABC5D8E9 49.2 5.59 -9.46 -0.63 0
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24248 608735 1 N2O2H10C11 A2B2C10D11 -12.58 4.87 -8.76 -0.88 0
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24249 608772 2 FH2O2C4 AB2C2D4 -232.78 3.74 -10.32 -1.47 0
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24250 608775 1 ON2C12H14 AB2C12D14 -3.03 2.98 -8.46 0.03 0
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24251 608794 1 N2O2H10C11 A2B2C10D11 -65.74 7.88 -8.94 -0.97 0
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24252 608824 1 NSC13H15 ABC13D15 35.11 1.05 -8.82 -0.53 0
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24253 608825 1 NSC13H15 ABC13D15 36.1 0.42 -8.93 -0.8 0
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24254 608826 1 NO2C13H15 AB2C13D15 -69.78 8.95 -8.56 -0.44 0
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24255 608829 1 NO4C21H29 AB4C21D29 -161.12 4.42 -8.78 -0.76 0
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24256 608831 1 N3O3C11H11 A3B3C11D11 -72.9 4.2 -9.38 -1.23 0
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24257 608832 1 SiCl2H8C11 AB2C8D11 -48.45 1.29 -8.82 -0.75 0
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24258 608833 1 SN2O4C9H12 AB2C4D9E12 -141.94 6.84 -9.03 -0.74 0
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24259 608837 1 NOC16H23 ABC16D23 -42.13 2.13 -8.77 0.38 0
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24260 608838 1 NC17H27 AB17C27 -29.46 1.13 -8.34 1.69 0
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24261 608855 1 NO3H13C18 AB3C13D18 26.13 7.02 -8.7 -1.66 0
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24262 608857 1 SN3H15C18 AB3C15D18 151.66 5.28 -8.73 -0.55 0
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24263 608861 1 SO3N4H16C17 AB3C4D16E17 45.13 9.76 -8.94 -1.2 0
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24264 608873 2 H5C8 A5B8 61.5 0.01 -8.35 -1.0 -6
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24265 608874 1 N2O5C21H28 A2B5C21D28 -182.21 4.7 -8.63 -0.35 0
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24266 608885 1 O2N4C11H14 A2B4C11D14 4.23 6.69 -8.11 -0.13 0
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24267 608896 1 Cl2N2O3H10C16 A2B2C3D10E16 -53.81 9.2 -9.45 -1.17 0
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24268 608897 1 N2O5H14C17 A2B5C14D17 -117.99 6.67 -8.43 -1.04 0
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24269 608898 1 O3N4H16C17 A3B4C16D17 -3.34 4.43 -8.74 -0.25 0
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24270 608899 2 NOC10H15 ABC10D15 -75.65 3.36 -7.57 -0.32 0