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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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379327 134358361 1 NO2C6H13 AB2C6D13 -109.25 3.53 -9.73 2.39 0
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379328 134358406 1 OF2C28H44 AB2C28D44 -194.38 1.67 -8.88 -0.05 0
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379329 134358416 1 OF2C32H52 AB2C32D52 -214.13 1.83 -8.89 -0.06 0
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379330 134358453 1 OF2C22H30 AB2C22D30 -135.53 3.03 -9.21 -0.34 0
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379331 134358481 1 OF2C27H40 AB2C27D40 -163.58 3.6 -8.83 -0.21 0
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379332 134358482 1 OF2C28H42 AB2C28D42 -170.68 4.25 -8.89 -0.08 0
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379333 134358495 1 OF2C30H46 AB2C30D46 -180.32 4.31 -8.89 -0.08 0
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379334 134358553 1 OF2C23H26 AB2C23D26 -102.99 1.38 -8.98 -0.16 0
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379335 134358596 1 OF2C23H26 AB2C23D26 -99.86 3.36 -8.87 -0.34 0
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379336 134358604 1 OF2C24H28 AB2C24D28 -102.12 3.95 -8.88 -0.25 0
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379337 134358621 1 OF2C27H34 AB2C27D34 -121.86 4.03 -8.85 -0.18 0
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379338 134358630 1 OF2C29H38 AB2C29D38 -127.85 1.51 -8.91 -0.22 0
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379339 134358650 1 OF2C30H40 AB2C30D40 -132.86 1.29 -8.84 -0.22 0
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379340 134358688 1 OF4C31H42 AB4C31D42 -257.07 4.56 -9.12 -0.39 0
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379341 134358714 1 OF4C25H28 AB4C25D28 -204.38 4.29 -9.08 -0.42 0
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379342 134358745 1 OF4C32H42 AB4C32D42 -239.13 3.75 -9.11 -0.4 0
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379343 134358771 1 OF4C25H28 AB4C25D28 -200.33 2.1 -9.15 -0.49 0
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379344 134358794 1 F4C31H40 A4B31C40 -201.04 3.14 -9.49 -0.54 1
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379345 134358815 1 ClO3N8H24C27 AB3C8D24E27 70.34 6.26 0.0 0.0 0
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379346 134358844 1 NO6C30H39 AB6C30D39 -253.43 2.85 -9.49 0.02 0
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379347 134418964 1 Cl3N3O4F9H17C28 A3B3C4D9E17F28 -547.1 6.63 -8.94 -1.16 0
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379348 134419112 1 O4H24C27 A4B24C27 -82.88 3.53 -8.1 -0.19 0
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379349 134419113 1 NC23H29 AB23C29 -11.85 2.44 -8.25 0.55 0
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379350 134419123 1 SF3N8O8C50H57 AB3C8D8E50F57 -366.36 4.2 -8.97 -0.93 0
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379351 134419125 1 NO3C11H19 AB3C11D19 -162.98 3.32 -9.81 0.69 0
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379352 134419133 1 F3O3N4H15C16 A3B3C4D15E16 -157.41 7.66 -9.41 -0.82 0
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379353 134419134 1 O4N5C22H25 A4B5C22D25 -102.92 9.31 -9.9 -1.18 0
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379354 134419144 6 NH12C16 AB12C16 382.03 1.98 -8.24 -1.17 0
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379355 134419148 1 FON7C18H18 ABC7D18E18 23.66 5.3 -9.28 -1.08 0
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379356 134419152 1 SO2F4N6H28C31 AB2C4D6E28F31 -141.34 2.75 -8.74 -1.2 0
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379357 134419156 1 NO4C25H39 AB4C25D39 -217.4 3.53 -9.01 0.34 0
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379358 134419163 1 NO4C31H33 AB4C31D33 -13.78 4.02 -8.23 -1.42 0
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379359 134419167 3 OC9H10 AB9C10 -71.34 3.76 -7.88 -0.31 0
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379360 134419169 1 NO3C23H27 AB3C23D27 -60.5 3.76 -8.41 -1.24 0
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379361 134419170 1 NPO2C9H20 ABC2D9E20 -139.61 2.73 -9.37 1.04 0
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379362 134419174 1 N5C19H43 A5B19C43 -11.82 5.15 -8.54 2.69 0
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379363 134419176 1 NC17H31 AB17C31 -45.08 1.39 -8.63 1.62 0
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379364 134419182 1 ON5H75C116 AB5C75D116 500.18 2.01 -7.78 -1.5 0
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379365 134419183 1 NSH41C49 ABC41D49 203.23 3.56 -6.95 -0.42 0
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379366 134419184 1 NOH33C49 ABC33D49 205.41 2.37 -7.84 -0.78 0
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379367 134419186 1 NOH33C49 ABC33D49 209.97 1.97 -8.09 -0.69 0
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379368 134419195 1 NO4C14H29 AB4C14D29 -217.99 2.29 -8.93 0.22 0
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379369 134419196 4 OC3H6 AB3C6 -225.17 2.71 -10.54 0.26 0
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379370 134419204 1 NO4C16H23 AB4C16D23 -180.2 2.08 -9.02 -0.12 1
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379371 134419209 1 NO2C17H32 AB2C17D32 -109.86 2.57 0.0 0.0 2
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379372 134419212 1 N2O3C23H36 A2B3C23D36 -58.41 4.68 -4.77 -0.54 3
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379373 134419214 1 O2N3C30H50 A2B3C30D50 -21.04 7.49 0.0 0.0 0
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379377 134419227 1 NO10C31H41 AB10C31D41 -348.31 2.77 -9.36 -0.49 0
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379379 134419237 2 NOC8H8 ABC8D8 -40.26 2.6 -8.99 -0.74 0
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379380 134419239 1 N4O4C31H42 A4B4C31D42 -131.83 3.16 -8.17 -0.07 0
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379381 134419241 1 N5C55H77 A5B55C77 16.77 3.03 -8.1 -0.28 0
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379382 134419244 2 NOC7H10 ABC7D10 -60.63 1.35 -9.07 0.33 0
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379383 134419247 2 O2H7C9 A2B7C9 13.53 2.91 -9.15 -1.04 0
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379384 134419252 1 IO3C24H27 AB3C24D27 28.76 2.95 -8.65 -1.04 0
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379385 134419254 1 SO2N3C26H33 AB2C3D26E33 -37.7 6.23 -8.65 -0.29 0
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379386 134419260 1 ISO2C3H7 ABC2D3E7 -73.05 5.91 -10.06 -1.42 0
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379387 134419261 1 N4H28C41 A4B28C41 208.73 1.37 -8.38 -1.04 0
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379388 134419262 1 F2N2C11H22 A2B2C11D22 -129.95 2.89 -8.47 2.04 0
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379389 134419264 1 N2O5C22H24 A2B5C22D24 -70.21 4.69 -8.96 -1.55 0
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379390 134419268 1 NC11H21 AB11C21 -8.62 1.88 -9.26 1.03 0
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379391 134419284 1 PH13C18 AB13C18 69.11 1.28 -8.86 -0.45 0
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379392 134419286 2 NH10C11 AB10C11 81.24 1.5 -8.02 0.07 0
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379393 134419287 1 N3C15H17 A3B15C17 56.32 4.33 -9.3 -0.6 0
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379394 134419288 1 N2C17H22 A2B17C22 29.92 3.57 -9.17 0.09 0
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379395 134419294 2 OC8H9 AB8C9 -68.21 2.16 -8.49 0.22 0
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379396 134419304 2 NO3C8H9 AB3C8D9 -228.91 5.27 -10.15 -0.96 0
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379397 134419313 1 N4H12C13 A4B12C13 81.46 6.27 -9.12 -0.75 0
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379399 134419339 1 NO4C14H21 AB4C14D21 -184.61 2.6 -9.01 -0.34 0
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379400 134419341 1 N2O6C19H34 A2B6C19D34 -300.38 5.73 -9.55 -0.24 0
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379401 134419342 1 N4O5C28H54 A4B5C28D54 -294.24 3.01 -8.37 0.78 0
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379402 134419343 1 N3O10C32H45 A3B10C32D45 -408.57 9.55 -9.52 -0.36 0
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379404 134419345 1 N2O11C35H50 A2B11C35D50 -428.55 2.97 -9.1 -0.51 0
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379405 134419348 1 N2F3O10C39H45 A2B3C10D39E45 -514.18 5.93 -9.36 -0.88 0
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379407 134419355 1 OSN4C19H22 ABC4D19E22 38.69 5.11 -9.4 -1.1 0
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379408 134419356 2 NSC3H8 ABC3D8 -8.91 2.69 -8.97 -1.02 0