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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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224292 85341157 1 O3C17H32 A3B17C32 -167.09 2.24 -10.08 0.76 0
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224293 85341162 1 ClO2H13C17 AB2C13D17 -14.36 4.99 -9.43 -1.19 0
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224294 85341168 1 NOPC17H20 ABCD17E20 -32.44 3.24 -9.47 -0.04 0
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224296 85341191 1 O5C15H26 A5B15C26 -240.45 2.44 -9.78 -0.13 0
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224297 85341192 2 NO2C7H13 AB2C7D13 -62.81 5.72 -10.52 -0.72 0
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224298 85341193 1 SO2C17H18 AB2C17D18 -5.88 2.61 -8.29 0.08 0
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224299 85341195 1 OC20H30 AB20C30 -43.79 3.44 -9.13 0.43 0
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224302 85341217 1 N3O5C12H23 A3B5C12D23 -181.83 3.2 -9.95 -0.03 0
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224303 85341220 1 ClNO2C16H16 ABC2D16E16 -31.63 5.65 -8.19 -1.48 0
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224304 85341222 1 IOC11H15 ABC11D15 -28.47 3.44 -9.48 -0.84 0
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224305 85341227 1 N2O2C17H26 A2B2C17D26 -41.42 3.17 -9.11 -0.61 0
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224306 85341230 1 OS3C13H22 AB3C13D22 -17.03 4.39 -8.52 -1.08 0
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224307 85341234 3 NOC5H7 ABC5D7 -74.77 8.01 -9.83 -0.42 0
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224309 85341238 1 NSO2C16H21 ABC2D16E21 -62.34 5.9 -9.39 -0.33 0
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224310 85341271 3 OC6H10 AB6C10 -175.21 3.82 -10.05 0.93 0
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224311 85341283 1 NO2C19H21 AB2C19D21 -2.35 1.81 -8.89 0.06 0
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224312 85341284 1 NO2C19H21 AB2C19D21 -54.79 3.41 -9.44 0.2 0
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224313 85341289 2 O2H8C9 A2B8C9 -89.85 3.21 -9.0 -0.92 0
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224314 85341314 1 NSiO3C15H27 ABC3D15E27 -162.47 1.21 -9.02 0.76 0
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224315 85341338 2 OC10H14 AB10C14 -40.8 2.57 -9.35 -0.05 0
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224317 85341370 1 FNSO3C14H22 ABCD3E14F22 -197.74 4.09 -8.71 0.1 0
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224318 85341371 1 NO3C18H25 AB3C18D25 -122.25 2.09 -9.32 0.24 0
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224319 85341412 1 O5C17H24 A5B17C24 -217.27 3.22 -8.96 0.82 0
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224320 85341422 2 OC10H18 AB10C18 -123.25 1.85 -9.66 2.42 0
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224321 85341547 1 FeO5C14H16 AB5C14D16 61.0 4.78 -6.97 -0.51 0
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224322 85341566 1 Cl2O3H10C16 A2B3C10D16 -49.2 1.32 -8.83 -1.28 0
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224323 85341583 1 N2O4C17H26 A2B4C17D26 -153.61 2.18 -9.14 0.51 0
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224324 85341632 2 NOC10H13 ABC10D13 -65.49 5.52 -8.27 -0.08 0
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224325 85341634 1 SO4C17H26 AB4C17D26 -179.14 4.63 -9.59 -0.54 0
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224326 85341635 1 SO4C17H26 AB4C17D26 -182.37 3.47 -8.82 -0.46 0
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224327 85341636 1 O4C19H34 A4B19C34 -230.83 3.68 -9.63 2.07 0
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224328 85341637 1 SiO3C18H34 AB3C18D34 -206.96 2.11 -8.79 0.02 0
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224329 85341659 4 OC5H6 AB5C6 -107.51 2.65 -9.09 0.37 0
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224330 85341710 1 O2N5H15C18 A2B5C15D18 167.67 3.27 -9.22 -1.45 0
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224331 85341715 1 NO4C19H27 AB4C19D27 -192.76 2.64 -9.42 0.34 0
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224332 85341726 1 ON2C22H26 AB2C22D26 -7.64 3.56 -8.84 -0.41 0
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224333 85341727 1 O3C21H34 A3B21C34 -158.9 3.09 -9.32 0.65 0
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224335 85341792 1 SSiO3C17H28 ABC3D17E28 -167.58 5.28 -8.79 -0.58 0
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224336 85341798 1 NO5C19H19 AB5C19D19 -159.97 5.97 -9.82 -0.96 0
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224337 85341800 1 ON3H19C22 AB3C19D22 93.18 3.09 -8.35 -1.23 0
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224338 85341825 1 N2O4C19H24 A2B4C19D24 -145.16 8.13 -9.48 -0.45 0
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224339 85341826 1 SO2H16C22 AB2C16D22 53.64 4.17 -9.28 -0.69 0
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224341 85341894 1 NVO4C17H21 ABC4D17E21 -171.27 7.96 0.0 0.0 0
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224342 85341906 1 N2O6C17H24 A2B6C17D24 -259.23 2.16 -9.59 -0.11 0
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224343 85341907 1 N2O6C17H24 A2B6C17D24 -225.33 3.07 -9.43 -0.24 0
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224344 85341912 1 Cl6H8C11 A6B8C11 -5.9 2.92 -9.86 -0.66 0
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224347 85341944 1 NO4C21H25 AB4C21D25 -108.29 3.18 -9.03 0.04 0
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224348 85341946 1 NSO3C20H21 ABC3D20E21 -81.75 8.46 -8.58 -0.22 0
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224349 85341947 1 NO3C22H29 AB3C22D29 -98.98 2.69 -8.56 0.23 0
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224350 85341949 1 NOSiC22H33 ABCD22E33 -39.64 1.86 -8.29 0.39 0
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224351 85341952 1 BrO2N3C15H22 AB2C3D15E22 -51.96 3.99 -8.14 -1.03 0
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224352 85342053 1 NO8C17H19 AB8C17D19 -313.57 3.48 -9.5 -0.63 0
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224353 85342056 1 NO4C22H23 AB4C22D23 -85.59 2.94 -9.51 -0.3 2
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224355 85342072 1 F2N3O4C17H19 A2B3C4D17E19 -233.86 6.44 -8.07 -0.14 0
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224357 85342080 1 NO2C24H33 AB2C24D33 -81.77 2.89 -8.97 0.04 0
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224358 85342092 1 O4C23H28 A4B23C28 -112.71 4.51 -9.36 0.04 0
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224359 85342093 1 SiO4C21H24 AB4C21D24 -104.4 4.64 -9.4 -0.22 0
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224360 85342094 1 SiO3C22H28 AB3C22D28 -147.08 1.97 -9.31 -0.06 0
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224361 85342095 2 O2C11H20 A2B11C20 -249.55 2.11 -9.6 0.87 0
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224362 85342097 1 SiO4C20H36 AB4C20D36 -263.64 2.11 -8.79 1.0 0
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224363 85342099 1 SiO2C23H32 AB2C23D32 -116.79 3.06 -8.8 -0.49 0
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224365 85342113 1 ClN2O7C15H15 AB2C7D15E15 -213.85 1.92 -9.06 -0.62 1
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224367 85342122 1 NSO7C16H21 ABC7D16E21 -292.1 4.42 -10.0 -0.77 0
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224368 85342149 1 O7C19H34 A7B19C34 -363.48 2.73 -9.92 0.75 0
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224369 85342156 1 NPO2H22C23 ABC2D22E23 -22.09 9.82 -8.29 -0.59 0
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224370 85342170 1 SN2O3C20H28 AB2C3D20E28 -109.06 8.08 -8.79 -0.6 0
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224371 85342187 1 OCl2N4C18H20 AB2C4D18E20 7.77 6.74 -8.66 -0.51 0
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224372 85342188 1 PN5O7C12H18 AB5C7D12E18 -295.95 7.72 -9.78 -1.05 0
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224374 85342192 1 N3O4C21H21 A3B4C21D21 -78.09 1.21 -8.55 -0.92 0
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224375 85342199 1 O8C19H24 A8B19C24 -350.24 3.31 -8.75 0.3 0
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224376 85342251 1 NO6C21H23 AB6C21D23 -186.59 4.13 -9.37 -1.03 0
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224377 85342252 1 NO5C22H27 AB5C22D27 -107.67 4.44 -8.99 -0.6 0
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224378 85342273 2 ClNOH8C10 ABCD8E10 -12.16 9.33 -9.22 -1.17 0
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224379 85342281 2 NO3C10H12 AB3C10D12 -256.05 3.75 -9.07 0.24 0
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224380 85342283 1 O5C23H32 A5B23C32 -215.03 5.27 -8.67 -0.46 0