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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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398377 135033019 1 Si2N6O13C45H72 A2B6C13D45E72 -615.99 5.41 -8.96 -0.58 0
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398378 135033028 1 SiO4C34H48 AB4C34D48 -218.6 4.01 -8.99 0.08 0
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398379 135033029 1 NO6C16H23 AB6C16D23 -254.8 4.01 -9.18 0.18 0
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398380 135033030 1 N2O3C16H20 A2B3C16D20 -114.36 2.9 -8.66 -0.22 0
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398381 135033031 1 NO3C16H23 AB3C16D23 -161.97 3.01 -9.32 0.19 1
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398382 135033032 1 SN2H5C6 AB2C5D6 77.48 1.99 0.0 0.0 0
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398383 135033033 1 SN2O2F3H13C15 AB2C2D3E13F15 -108.08 5.64 -8.8 -0.78 0
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398384 135033034 1 N2O2F4H14C17 A2B2C4D14E17 -162.64 6.21 -9.01 -0.79 0
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398385 135033042 1 BrON2H17C18 ABC2D17E18 3.16 6.27 -8.79 -0.48 0
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398386 135033048 1 SN2O4C23H38 AB2C4D23E38 -184.5 3.3 -9.34 -0.35 0
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398387 135033055 1 N3O3C14H15 A3B3C14D15 -68.35 5.3 -9.26 -0.7 0
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398388 135033057 1 O3N4H38C44 A3B4C38D44 105.04 2.97 -9.11 -0.68 0
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398390 135033068 1 NSiO3C17H29 ABC3D17E29 -179.34 4.98 -8.9 0.04 0
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398391 135033070 1 S3O4C19H32 A3B4C19D32 -204.85 6.25 -9.14 -0.79 0
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398392 135033074 1 OH20C25 AB20C25 50.14 2.81 -9.18 -0.82 0
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398393 135033090 1 NH17C19 AB17C19 70.42 3.17 -9.21 -0.05 0
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398394 135033091 1 SN2C14H16 AB2C14D16 58.41 1.33 -8.66 -0.47 0
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398395 135033101 1 O5C39H42 A5B39C42 -104.74 1.97 -9.12 0.18 0
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398396 135033109 1 NSO5C22H23 ABC5D22E23 -158.72 3.12 -8.4 -0.94 0
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398397 135033110 1 NO6C25H27 AB6C25D27 -204.7 2.28 -8.14 -0.68 -1
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398398 135033111 1 BSiF3O4C23H31 ABC3D4E23F31 -410.45 6.35 0.0 0.0 0
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398399 135033122 1 N3O4C10H17 A3B4C10D17 -125.52 5.93 -9.77 0.13 0
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398400 135033127 1 NO5H17C21 AB5C17D21 -131.21 4.07 -8.64 -0.67 0
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398401 135033129 1 NO5H15C21 AB5C15D21 -110.64 5.38 -9.2 -0.65 0
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398402 135033132 1 O4C19H24 A4B19C24 -114.83 2.81 -9.43 0.27 0
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398403 135033133 1 O4C19H24 A4B19C24 -96.89 5.08 -9.35 0.35 0
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398404 135033141 1 OYC6H12 ABC6D12 39.12 1.82 0.0 0.0 0
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398405 135033165 1 SN2O7C32H36 AB2C7D32E36 -234.95 5.55 -8.2 -0.54 0
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398406 135033171 1 LiNS2C21H24 ABC2D21E24 188.1 29.71 -4.2 -2.31 0
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398407 135033173 1 NS2C21H25 AB2C21D25 71.6 2.3 -8.29 -0.09 0
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398408 135033174 1 LiNS2C19H22 ABC2D19E22 50.05 7.5 -7.69 0.29 0
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398409 135033175 1 NS2C19H23 AB2C19D23 44.29 3.88 -8.47 -0.29 0
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398410 135033177 1 SN2C13H16 AB2C13D16 53.42 1.04 -9.0 -0.19 0
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398411 135033178 1 ISF4O5N7C22H22 ABC4D5E7F22G22 -277.29 3.37 -8.82 -2.27 0
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398412 135033180 1 SF4O6N7C27H27 AB4C6D7E27F27 -305.01 7.42 -9.0 -1.42 0
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398415 135033184 1 O2C23H36 A2B23C36 -117.96 1.38 -9.4 1.47 0
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398416 135033185 2 OC10H16 AB10C16 -130.5 3.02 -9.67 0.71 0
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398417 135033186 2 OC10H16 AB10C16 -126.54 5.2 -9.87 0.44 0
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398420 135033189 1 O3C20H28 A3B20C28 -119.95 1.51 -8.79 0.3 0
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398422 135033191 1 BrOC15H19 ABC15D19 -2.87 3.18 -9.4 -0.08 0
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398423 135033192 2 NC13H13 AB13C13 69.79 2.25 -7.99 -0.03 -4
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398424 135033194 1 P4N7C19O21H23 A4B7C19D21E23 -844.14 8.82 -9.36 -2.81 0
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398425 135033201 1 NS2F3O4C17H22 AB2C3D4E17F22 -315.32 7.61 -9.34 -0.39 0
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398426 135033212 1 NC24H25 AB24C25 59.35 1.66 -8.07 0.33 0
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398427 135033227 1 NO4C18H27 AB4C18D27 -180.45 4.49 -8.84 0.08 0
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398428 135033256 1 O11N13C52H77 A11B13C52D77 -500.6 9.56 -8.54 -0.4 0
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398429 135033265 1 O7C53H62 A7B53C62 -226.21 3.68 -9.2 0.0 0
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398430 135033269 1 ClN2O3H11C12 AB2C3D11E12 -117.4 1.34 -9.57 -0.85 0
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398431 135033271 1 NSO3H27C34 ABC3D27E34 27.96 2.16 -9.1 -0.68 0
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398432 135033272 1 NSO4H27C34 ABC4D27E34 4.13 2.66 -8.96 -0.54 0
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398433 135033273 1 NSO5H27C34 ABC5D27E34 -50.74 5.01 -9.94 -0.73 0
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398434 135033276 1 NO5C34H37 AB5C34D37 -103.86 3.36 -9.18 0.14 0
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398435 135033288 2 FOC6H6 ABC6D6 -148.64 3.02 -9.44 -0.4 0
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398437 135033295 1 BrOC13H15 ABC13D15 -16.1 2.43 -8.7 0.29 0
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398438 135033298 1 NSC7O8H13 ABC7D8E13 -339.93 3.29 -10.83 -1.12 0
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398439 135033299 1 N2O2H10C13 A2B2C10D13 8.95 2.45 -8.29 -1.02 0
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398440 135033313 24 CH AB 109.81 1.28 -8.1 -0.61 0
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398441 135033320 1 NS2C21H25 AB2C21D25 42.93 2.91 -8.53 -0.12 0
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398442 135033323 1 SiO5C25H40 AB5C25D40 -282.84 6.75 -9.01 -0.71 0
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398443 135033338 1 NO6C18H23 AB6C18D23 -222.0 2.39 -8.89 -0.28 0
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398444 135033339 1 NO6C18H21 AB6C18D21 -201.72 2.88 -8.98 -0.35 0
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398445 135033342 1 NO2C14H17 AB2C14D17 -85.81 4.34 -9.69 -0.79 0
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398446 135033343 1 NO2C17H17 AB2C17D17 -56.37 4.31 -9.33 -1.17 0
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398447 135033344 1 IO2H13C14 AB2C13D14 -42.02 1.65 -8.96 -0.98 0
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398448 135033345 1 NS2F3O4C15H20 AB2C3D4E15F20 -315.01 6.23 -9.44 -0.73 0
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398449 135033346 1 NSF3O4C13H22 ABC3D4E13F22 -366.1 2.96 -9.36 -0.6 0
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398450 135033347 1 NS2F3O4C19H20 AB2C3D4E19F20 -278.83 6.39 -9.06 -0.54 0
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398451 135033348 1 NS2F3O4C14H18 AB2C3D4E14F18 -305.38 3.22 -9.52 -0.84 0
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398452 135033349 1 NS2F3O4C18H24 AB2C3D4E18F24 -319.17 4.17 -9.38 -0.7 0
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398453 135033350 1 NS2F3O4C16H22 AB2C3D4E16F22 -324.46 2.1 -9.31 -0.68 0
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398454 135033351 1 NS2F3O4C17H22 AB2C3D4E17F22 -315.73 2.79 -9.52 -0.82 0
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398455 135033352 1 NS2F3O4C14H18 AB2C3D4E14F18 -302.59 1.06 -9.31 -0.54 0
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398456 135033353 1 NS2F3O4C14H18 AB2C3D4E14F18 -305.33 3.37 -9.51 -0.86 0
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398457 135033357 1 IO2C8H15 AB2C8D15 -108.38 3.42 -9.86 -1.05 0
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398458 135033358 1 ClNOH14C22 ABCD14E22 61.61 1.3 -9.41 -1.01 0
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398459 135033359 1 ClNO2H14C22 ABC2D14E22 54.14 2.53 -8.86 -1.15 0
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398460 135033371 1 SiO2C19H32 AB2C19D32 -153.44 2.1 -8.6 0.28 0
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398461 135033379 1 O16C37H46 A16B37C46 -658.28 5.52 -9.13 0.06 0
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398462 135033381 1 O15H58C62 A15B58C62 -432.91 4.99 -9.42 -0.81 0
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398463 135033383 1 NO15C48H51 AB15C48D51 -528.37 5.2 -9.09 -1.42 0
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398464 135033387 1 NOH23C25 ABC23D25 78.06 1.48 -8.66 -0.18 0
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398465 135033405 1 N3O5C15H21 A3B5C15D21 -196.2 3.26 -8.75 -0.52 0
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398466 135033407 1 N3O5C13H17 A3B5C13D17 -178.16 0.58 -8.89 -0.54 0
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398467 135033410 1 N2O6C13H16 A2B6C13D16 -220.74 5.35 -9.49 -0.76 0
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398468 135033411 1 N3O7C13H15 A3B7C13D15 -179.32 4.39 -10.71 -1.74 0
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398469 135033419 2 OH15C16 AB15C16 23.69 0.91 -8.64 -0.17 0
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398471 135033426 1 O2C3N3H4 A2B3C3D4 -31.73 2.13 0.0 0.0 0
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398472 135033430 1 N2O3H16C23 A2B3C16D23 -33.42 6.35 -8.77 -1.11 0
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398473 135033438 1 NO2C16H17 AB2C16D17 -17.52 2.47 -9.62 -0.67 0
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398474 135033456 1 F3O4C15H17 A3B4C15D17 -300.62 4.48 -8.93 -0.04 0
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398475 135033461 1 SO2C10H12 AB2C10D12 -48.35 1.03 -8.98 -0.42 0
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398476 135033462 1 NO5C18H19 AB5C18D19 -181.99 3.25 -8.78 -0.56 0
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398477 135033465 1 NF5H14C17 AB5C14D17 -164.78 4.47 -8.07 -1.02 0
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398478 135033466 8 FHC2 ABC2 -328.02 3.57 -10.02 -1.32 0
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398480 135033474 1 NO3C15H21 AB3C15D21 -51.06 5.66 -8.86 -0.3 0
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398481 135033476 1 O4C19H28 A4B19C28 -174.71 2.41 -9.23 0.46 0
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398482 135033479 1 S2N7O7C50H71 A2B7C7D50E71 -191.18 6.47 -8.1 -0.78 1
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398483 135033483 1 BrNOPH22C25 ABCDE22F25 63.14 12.68 0.0 0.0 0
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398484 135033484 1 FO5C8H13 AB5C8D13 -262.98 1.0 -9.63 0.13 0
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398485 135033486 1 SN2O4C24H32 AB2C4D24E32 -132.91 5.59 -9.26 -0.28 -1