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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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81193 49854450 1 O2N7C31H45 A2B7C31D45 -26.31 7.38 -8.65 0.04 0
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81194 49854451 1 O2N7C31H45 A2B7C31D45 -29.13 6.64 -8.82 -0.24 0
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81195 49854452 1 O2N7C30H43 A2B7C30D43 -24.5 6.91 -8.8 0.08 0
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81196 49854453 1 SN7O11C33H47 AB7C11D33E47 -416.69 5.64 -9.28 -0.82 0
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81197 49854454 1 SN7O10C37H49 AB7C10D37E49 -350.77 10.46 -8.99 -0.63 0
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81198 49854455 1 SN7O10C37H49 AB7C10D37E49 -364.54 9.49 -9.42 -1.24 0
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81199 49854456 1 SN4O4H24C25 AB4C4D24E25 -31.87 5.61 -9.29 -1.08 0
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81200 49854457 1 SO4N5C27H29 AB4C5D27E29 -46.22 5.53 -9.06 -1.24 0
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81201 49854458 1 SN4O5H22C23 AB4C5D22E23 -73.51 4.43 -8.93 -1.34 0
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81202 49854459 1 SN4O5C24H24 AB4C5D24E24 -69.6 6.5 -9.16 -1.04 0
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81203 49854460 1 SN4O5C25H26 AB4C5D25E26 -73.3 6.69 -9.18 -1.09 0
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81204 49854461 1 O2S2N5C19H25 A2B2C5D19E25 -53.88 5.07 -8.53 -0.97 0
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81205 49854462 1 O2S2N5C19H23 A2B2C5D19E23 -19.86 0.71 -8.38 -0.84 0
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81206 49854463 1 SO3N7C22H29 AB3C7D22E29 -88.09 5.89 -9.08 -1.28 0
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81207 49854464 1 SO3N7C24H33 AB3C7D24E33 -80.35 3.27 -8.79 -1.19 0
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81208 49854465 1 SO3N6C19H24 AB3C6D19E24 -84.39 2.94 -9.07 -1.26 0
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81209 49854466 1 O2S2N5C19H25 A2B2C5D19E25 -51.98 3.47 -8.44 -0.9 0
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81210 49854467 1 ClN2O3C25H31 AB2C3D25E31 -126.93 5.88 -8.65 -0.18 0
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81211 49854468 2 NO2C11H12 AB2C11D12 -103.34 3.58 -9.06 -0.72 0
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81212 49854469 1 N2O3C23H28 A2B3C23D28 -105.99 2.81 -8.78 -0.05 0
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81213 49854470 2 NO2C12H14 AB2C12D14 -117.7 6.28 -8.97 -0.41 0
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81214 49854471 1 F2N2O3C23H26 A2B2C3D23E26 -197.43 5.1 -9.08 -0.56 0
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81215 49854472 1 N2O3C27H28 A2B3C27D28 -69.03 2.25 -8.87 -0.88 0
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81216 49854473 1 ON2F3H17C18 AB2C3D17E18 -158.59 3.59 -8.2 -0.73 0
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81217 49854474 1 ClON2C17H17 ABC2D17E17 -6.68 3.01 -8.12 -0.32 0
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81218 49854475 1 ON2C18H20 AB2C18D20 -1.89 3.27 -8.03 -0.09 0
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81219 49854476 1 ON2C20H24 AB2C20D24 -10.59 2.32 -7.92 -0.08 0
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81220 49854477 1 O2N3C19H21 A2B3C19D21 -46.75 7.88 -8.26 -0.25 0
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81221 49854478 1 N2O2H16C17 A2B2C16D17 -48.63 1.79 -8.69 -0.05 0
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81222 49854479 1 SN2O3C16H16 AB2C3D16E16 -81.92 4.45 -8.74 -0.08 0
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81223 49854480 1 O2N3C20H23 A2B3C20D23 -65.52 3.4 -8.52 0.0 0
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81224 49854481 1 ClSN3O4C24H24 ABC3D4E24F24 -86.27 9.14 -8.3 -1.25 0
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81225 49854482 1 SN3O4H27C28 AB3C4D27E28 -58.78 9.73 -8.13 -1.32 0
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81226 49854483 1 FSN3O5C25H26 ABC3D5E25F26 -165.03 4.51 -7.99 -1.18 0
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81227 49854484 1 ClSO4N5C24H26 ABC4D5E24F26 -101.43 7.36 -9.0 -1.58 0
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81228 49854485 1 SN4O5C24H26 AB4C5D24E26 -144.54 9.05 -8.83 -1.71 0
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81229 49854486 1 SN4O5H24C27 AB4C5D24E27 -90.16 11.52 -8.91 -1.69 0
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81230 49854487 1 SN4O6C26H28 AB4C6D26E28 -179.73 9.98 -8.84 -1.71 0
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81231 49854488 1 SN4O5C28H32 AB4C5D28E32 -151.98 9.54 -8.84 -1.69 0
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81232 49854489 1 N3O5C37H47 A3B5C37D47 -167.0 4.48 -8.42 -0.28 0
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81233 49854490 1 N4O4C35H44 A4B4C35D44 -122.12 4.86 -8.51 -0.26 0
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81234 49854491 1 N4O4C37H48 A4B4C37D48 -128.68 4.6 -8.36 -0.16 0
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81235 49854492 1 N4O4H32C33 A4B4C32D33 -56.52 4.86 -8.38 -0.27 0
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81236 49854493 1 ON9C23H25 AB9C23D25 77.88 5.61 -8.42 -0.39 0
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81237 49854494 1 O2N9C23H25 A2B9C23D25 46.43 3.57 -8.33 -0.38 0
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81238 49854495 1 ON9C23H25 AB9C23D25 82.12 1.92 -8.38 -0.31 0
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81239 49854496 1 ON9C23H23 AB9C23D23 113.64 4.51 -8.51 -0.42 0
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81240 49854497 1 ON9C22H23 AB9C22D23 85.45 5.55 -8.5 -0.51 0
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81241 49854498 1 ClON9C22H22 ABC9D22E22 75.47 4.4 -8.41 -0.66 0
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81242 49854499 2 OF2N2C10H11 AB2C2D10E11 -237.55 2.25 -9.07 -0.43 0
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81243 49854500 2 OF2N2C10H11 AB2C2D10E11 -245.17 2.19 -9.09 -0.44 0
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81244 49854501 1 O2F4N4C19H20 A2B4C4D19E20 -226.45 4.98 -8.92 -0.66 0
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81245 49854502 1 O2N4F5H17C18 A2B4C5D17E18 -281.59 1.61 -9.09 -0.84 0
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81246 49854503 1 O3N4F5H17C19 A3B4C5D17E19 -316.28 4.39 -9.27 -1.21 0
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81247 49854504 1 O3N4F5H17C19 A3B4C5D17E19 -316.7 2.88 -9.27 -1.16 0
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81248 49854506 3 NOH5C6 ABC5D6 0.77 4.91 -8.84 -1.31 0
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81249 49854507 1 N2O3H18C21 A2B3C18D21 -6.03 5.28 -8.47 -1.13 0
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81250 49854508 1 SN3O5C17H27 AB3C5D17E27 -169.04 4.65 -8.88 -0.4 0
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81251 49854509 1 SN3O6C17H25 AB3C6D17E25 -139.11 5.21 -9.68 -0.65 0
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81252 49854511 1 SN4O5C25H30 AB4C5D25E30 -112.03 5.19 -9.35 -0.84 0
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81253 49854512 1 SN3O6C24H33 AB3C6D24E33 -179.59 10.72 -9.1 -0.62 0
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81254 49854513 1 SN4O5C24H28 AB4C5D24E28 -104.25 2.42 -9.46 -1.01 0
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81255 49854514 1 O3N4H16C22 A3B4C16D22 -25.75 4.58 -9.56 -1.41 0
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81256 49854515 1 O3N5H23C25 A3B5C23D25 -19.87 3.85 -9.08 -1.5 0
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81257 49854517 1 O3N5C27H35 A3B5C27D35 -70.38 7.29 -8.53 -0.67 0
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81258 49854518 1 N6O6C25H28 A6B6C25D28 -139.4 1.95 -9.12 -0.99 0
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81259 49854519 1 ON2C18H26 AB2C18D26 -7.33 1.31 -8.24 0.3 0
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81260 49854520 1 ON2C18H22 AB2C18D22 60.7 2.08 -8.34 0.2 0
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81261 49854521 1 SN2O3C16H22 AB2C3D16E22 -79.05 6.66 -8.54 -0.05 0
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81262 49854522 1 SN2C15H20 AB2C15D20 45.84 1.09 -8.61 0.08 0
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81263 49854523 1 ON2C19H26 AB2C19D26 19.43 1.35 -8.31 0.28 0
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81264 49854524 1 SN3O5C18H23 AB3C5D18E23 -176.89 3.8 -8.95 -0.2 0
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81265 49854525 1 O4N5C19H21 A4B5C19D21 -62.43 2.46 -9.33 -0.57 0
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81266 49854526 1 FO3N4C19H21 AB3C4D19E21 -129.03 6.16 -9.12 -0.68 0
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81267 49854527 1 O3N4C19H22 A3B4C19D22 -73.44 8.07 -9.13 -0.44 0
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81268 49854528 1 O3N4C19H22 A3B4C19D22 -73.93 4.15 -8.93 -0.33 0
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81269 49854530 1 SO3N4C19H20 AB3C4D19E20 -63.22 4.02 -8.63 -0.73 0
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81270 49854532 1 N4O4C19H22 A4B4C19D22 -115.36 8.21 -9.16 -0.54 0
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81271 49854533 1 ON5C17H17 AB5C17D17 24.68 8.83 -8.6 -0.75 0
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81272 49854535 1 O4N6C21H22 A4B6C21D22 -62.47 5.48 -9.13 -2.22 0
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81273 49854536 1 O4N6C21H22 A4B6C21D22 -61.78 4.77 -9.32 -2.15 0
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81274 49854537 1 N2O4F6C27H28 A2B4C6D27E28 -474.21 3.29 -8.71 -1.37 0
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81275 49854538 1 N2O5F6C25H26 A2B5C6D25E26 -504.89 4.48 -8.72 -1.25 0
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81276 49854539 1 NO3H17C19 AB3C17D19 -85.92 2.7 -8.85 -0.72 0
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81277 49854540 1 ClSN2O5C32H53 ABC2D5E32F53 -253.42 8.74 -9.23 -0.25 0
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81278 49854542 1 NO10C27H31 AB10C27D31 -402.55 9.2 -9.06 -2.01 1
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81279 49854543 1 NaO2C3N3H9 AB2C3D3E9 -32.95 6.7 0.0 0.0 0
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81280 49854544 1 N2O6H24C25 A2B6C24D25 -162.24 12.05 -9.03 -0.92 0
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81281 49854545 3 NO2C7H7 AB2C7D7 -188.39 12.69 -8.79 -1.1 0
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81282 49854547 1 FSO3N5C19H20 ABC3D5E19F20 -76.65 3.62 -8.45 -0.4 0
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81283 49854549 1 FSO4N5C19H20 ABC4D5E19F20 -104.3 6.83 -8.28 -0.47 0
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81284 49854551 1 BrSO3N5H16C17 ABC3D5E16F17 -29.12 5.9 -8.84 -0.66 0
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81285 49854552 1 BrClFSO2N5H16C17 ABCDE2F5G16H17 -61.39 5.33 -8.94 -0.47 0
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81286 49854553 1 BrFSO2N5H15C17 ABCD2E5F15G17 -33.25 7.57 -8.66 -0.64 0
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81287 49854554 1 O2N7C30H43 A2B7C30D43 -29.57 3.0 -8.6 -0.05 0
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81288 49854555 1 SN3O3C14H17 AB3C3D14E17 -67.47 2.8 -9.3 -1.04 0
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81289 49854557 1 O11C27H38 A11B27C38 -510.47 7.89 -10.52 -0.84 0
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81290 49854558 2 O5C13H17 A5B13C17 -447.5 4.03 -9.76 -1.26 0
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81291 49854559 1 O3H10C16 A3B10C16 -49.84 3.57 -9.13 -1.33 0
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81292 49854561 1 S2N9O10C27H39 A2B9C10D27E39 -308.13 7.35 -9.72 -1.75 0