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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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135412 51868413 1 O2N3C23H31 A2B3C23D31 -70.56 4.53 -9.17 -0.83 0
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135413 51868510 1 SN2O3C14H16 AB2C3D14E16 -75.48 3.19 -9.13 -0.49 0
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135414 51868511 1 OSN3C20H21 ABC3D20E21 44.45 2.87 -8.95 -0.56 0
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135415 51868872 1 SN3O3C21H31 AB3C3D21E31 -110.26 4.09 -9.34 -0.45 1
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135416 51868918 1 S2N3O3C23H34 A2B3C3D23E34 -92.65 4.29 0.0 0.0 0
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135417 51869318 2 N2O2C13H16 A2B2C13D16 -138.59 6.77 -8.06 -0.48 0
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135418 51869389 1 NO5C12H17 AB5C12D17 -165.24 11.27 -8.72 -0.69 0
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135419 51869453 1 SN3O5C22H23 AB3C5D22E23 -138.21 3.32 -8.2 -0.78 0
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135420 51869699 1 SN2O4C18H26 AB2C4D18E26 -165.41 6.83 -9.79 -1.01 0
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135421 51869700 1 OSN5H25C26 ABC5D25E26 94.26 7.51 -8.49 -1.47 0
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135422 51869777 1 N3O5C24H33 A3B5C24D33 -234.3 4.91 -9.33 -0.66 0
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135423 51869884 1 O2S3N4C18H20 A2B3C4D18E20 26.76 5.35 -8.51 -0.81 0
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135424 51869885 1 O2S3N4C18H20 A2B3C4D18E20 27.24 2.5 -8.52 -1.03 0
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135425 51870025 1 NO4C15H15 AB4C15D15 -93.45 2.85 -8.82 -0.42 0
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135426 51870026 1 NF3O3H16C18 AB3C3D16E18 -225.45 4.9 -8.91 -0.82 0
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135427 51870213 1 N3O3C27H37 A3B3C27D37 -150.54 4.11 -8.64 0.07 0
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135428 51870214 1 N3O3C27H37 A3B3C27D37 -149.84 7.13 -8.65 0.22 0
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135429 51870215 1 N3O4C21H31 A3B4C21D31 -187.72 5.7 -8.92 -0.06 0
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135430 51870216 1 N3O4C21H31 A3B4C21D31 -190.85 3.48 -8.7 0.14 0
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135431 51870217 1 SN3O4C21H33 AB3C4D21E33 -179.39 6.49 -9.18 -0.52 0
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135432 51870218 1 SN3O4C21H33 AB3C4D21E33 -177.54 7.26 -9.15 -0.61 0
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135433 51870219 1 SN2O2C21H32 AB2C2D21E32 -107.08 7.71 -9.04 -0.52 0
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135434 51870220 1 SN2O2C21H32 AB2C2D21E32 -107.23 7.57 -9.04 -0.54 0
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135435 51870253 1 FN3O3C20H28 AB3C3D20E28 -180.32 3.54 -9.25 -0.61 0
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135436 51870413 1 SN2O2C18H18 AB2C2D18E18 -0.32 3.95 -9.1 -1.11 -1
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135437 51870483 1 SN3O4H18C19 AB3C4D18E19 -36.88 6.63 0.0 0.0 0
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135438 51870499 1 Cl2N2O3H16C17 A2B2C3D16E17 -92.44 5.44 -8.97 -0.28 0
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135439 51870804 1 ClN2O2H23C24 AB2C2D23E24 -33.14 5.43 -9.54 -0.62 0
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135440 51871001 1 ClSO3N6C20H21 ABC3D6E20F21 44.17 7.91 -9.1 -1.87 1
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135441 51871060 1 ClSF2N3O3C22H27 ABC2D3E3F22G27 -161.38 3.4 0.0 0.0 1
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135442 51871542 1 ON6C20H29 AB6C20D29 14.69 3.55 0.0 0.0 1
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135443 51871555 1 O2N4C24H31 A2B4C24D31 -6.72 5.71 0.0 0.0 0
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135444 51871829 1 N2O4C23H32 A2B4C23D32 -143.05 6.54 -8.9 -0.37 1
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135445 51871854 1 ON4C19H23 AB4C19D23 37.27 7.0 0.0 0.0 0
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135446 51872220 1 ON4C20H24 AB4C20D24 21.44 2.63 -8.41 0.01 0
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135447 51872306 1 ON2S2C15H18 AB2C2D15E18 15.69 3.39 -8.85 -0.54 0
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135448 51872509 1 N3O4H21C22 A3B4C21D22 -22.59 7.02 -9.21 -1.37 0
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135449 51872510 1 N3O4H21C22 A3B4C21D22 -24.22 6.42 -9.21 -1.39 0
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135450 51873157 1 NO5C20H23 AB5C20D23 -146.69 4.01 -8.59 -0.13 0
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135451 51873259 1 OF2N2C18H24 AB2C2D18E24 -148.97 2.39 -9.06 -0.41 0
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135452 51873260 1 OF2N2C18H24 AB2C2D18E24 -148.74 2.36 -8.85 -0.44 -1
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135453 51873384 1 ON2C10H19 AB2C10D19 -36.05 3.05 0.0 0.0 0
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135454 51873426 1 SN2O4C20H30 AB2C4D20E30 -167.68 4.69 -9.54 -0.96 0
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135455 51873722 1 ClN4O4C21H21 AB4C4D21E21 -76.85 4.55 -8.83 -0.84 0
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135456 51873791 1 N2O3C19H28 A2B3C19D28 -133.08 1.08 -9.35 -0.47 0
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135457 51873792 1 N2O3C19H28 A2B3C19D28 -134.71 2.21 -9.17 -0.46 0
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135458 51873793 1 O2N4C21H24 A2B4C21D24 -22.28 4.6 -8.99 -0.16 0
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135459 51873794 1 O2N4C21H24 A2B4C21D24 -25.46 3.87 -8.82 -0.29 0
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135460 51873795 1 Cl2O2N3H13C18 A2B2C3D13E18 -20.35 4.77 -9.73 -1.06 0
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135461 51874187 1 ClSN2O4C21H27 ABC2D4E21F27 -180.62 1.45 -9.41 -0.6 0
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135462 51874339 1 SCl2O2N4H18C22 AB2C2D4E18F22 30.35 8.78 -8.72 -1.57 0
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135463 51874949 1 OSN3F4H17C19 ABC3D4E17F19 -176.02 9.03 -9.4 -1.62 0
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135464 51874950 1 OSN3F4H17C19 ABC3D4E17F19 -171.24 5.98 -9.44 -1.57 0
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135465 51875144 1 N2O3C22H30 A2B3C22D30 -114.12 4.75 -9.04 -0.46 0
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135466 51875819 1 ClSO4N6H17C18 ABC4D6E17F18 23.6 5.51 -9.05 -1.67 0
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135467 51876477 1 S2N4O5H18C19 A2B4C5D18E19 -46.15 9.74 -9.04 -1.23 0
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135468 51876478 1 S2N4O5H18C19 A2B4C5D18E19 -48.43 8.62 -9.16 -1.42 0
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135469 51876497 1 O2S2Cl3N3H14C18 A2B2C3D3E14F18 -27.72 4.33 -9.14 -1.35 0
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135470 51876513 1 ClSO3N6H19C22 ABC3D6E19F22 52.47 6.86 -8.9 -1.17 0
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135471 51876841 1 SN2O5C23H28 AB2C5D23E28 -169.93 7.22 -9.46 -0.28 0
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135472 51876991 1 SN3O5C25H29 AB3C5D25E29 -150.77 6.54 -8.49 -0.74 0
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135473 51877478 1 ClSO2N3C21H26 ABC2D3E21F26 -67.95 5.28 -9.05 -0.95 0
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135474 51877634 1 SO3N5C22H33 AB3C5D22E33 -143.47 4.66 -9.15 -1.16 0
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135475 51877637 1 FSO2N3C19H24 ABC2D3E19F24 -80.86 2.19 -8.77 -0.62 0
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135476 51877677 1 SO3N5C25H31 AB3C5D25E31 -104.5 5.26 -9.12 -1.54 0
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135477 51878198 2 OSN2C9H11 ABC2D9E11 -19.51 7.78 -8.81 -0.99 0
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135478 51878199 2 OSN2C9H11 ABC2D9E11 -20.39 4.38 -9.24 -1.39 0
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135479 51878200 1 O2S2N3H19C21 A2B2C3D19E21 8.32 7.3 -8.71 -0.93 0
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135480 51878595 1 FSO2N4C25H29 ABC2D4E25F29 -55.71 2.53 -8.42 -0.59 0
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135481 51878724 1 SO2N4C20H28 AB2C4D20E28 -23.8 1.38 -8.46 -0.03 0
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135482 51878725 1 SO2N3C21H23 AB2C3D21E23 19.23 2.43 -8.47 -0.65 0
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135483 51878726 1 SO2N3C21H23 AB2C3D21E23 18.91 3.85 -8.54 -0.69 1
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135484 51878762 1 S2O3N5C20H30 A2B3C5D20E30 -133.97 4.61 0.0 0.0 0
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135485 51879127 1 ClSO2N5C23H24 ABC2D5E23F24 -6.19 7.2 -9.39 -0.8 0
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135486 51879128 1 ClSO2N4C18H23 ABC2D4E18F23 -13.68 6.2 -9.2 -0.52 0
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135487 51879150 1 OF2S3N4C15H16 AB2C3D4E15F16 -48.56 8.08 -8.93 -1.48 1
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135488 51879473 1 OSN5C29H32 ABC5D29E32 97.91 7.15 0.0 0.0 0
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135489 51879474 1 OSN5C29H31 ABC5D29E31 76.72 5.41 -9.03 -0.58 1
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135490 51879475 1 OSN6C26H31 ABC6D26E31 95.27 7.66 0.0 0.0 0
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135491 51880498 1 Cl2N3O6H17C21 A2B3C6D17E21 -198.76 2.9 -8.92 -1.02 0
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135492 51880499 1 Cl2N3O5H19C21 A2B3C5D19E21 -166.39 1.69 -8.53 -0.92 0
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135493 51880500 1 Cl2N3O5H19C21 A2B3C5D19E21 -165.71 3.27 -8.53 -0.95 0
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135494 51880510 1 FSN2O2C20H23 ABC2D2E20F23 -105.26 3.98 -8.73 -0.59 0
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135495 51880511 1 ClNO7H20C21 ABC7D20E21 -245.18 6.21 -8.94 -1.15 0
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135496 51880924 1 SO2N3C19H25 AB2C3D19E25 -43.84 1.45 -8.95 -0.88 0
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135497 51881394 1 O3N4C27H34 A3B4C27D34 -99.55 6.49 -8.47 -0.19 0
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135498 51881584 1 ClSN2O3C18H27 ABC2D3E18F27 -141.94 2.66 -9.59 -1.05 0
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135499 51881762 1 SN2O5C23H32 AB2C5D23E32 -207.92 9.7 -9.27 -0.82 0
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135500 51882216 1 BrFO3N4H14C19 ABC3D4E14F19 -84.81 2.95 -9.22 -1.27 0
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135501 51882217 1 BrFO3N4H14C19 ABC3D4E14F19 -75.25 3.67 -9.39 -0.99 0
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135502 51882234 1 ClF3O3N4H14C20 AB3C3D4E14F20 -209.07 4.85 -9.58 -1.16 0
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135503 51882342 1 N3O4C23H27 A3B4C23D27 -136.94 3.04 -9.07 -0.04 0
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135504 51882343 1 N3O4C23H27 A3B4C23D27 -138.2 3.59 -8.97 -0.35 0
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135505 51882344 1 N3O4C23H27 A3B4C23D27 -138.98 1.19 -9.04 -0.15 0
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135506 51882550 1 OSN5C28H31 ABC5D28E31 48.31 5.36 -8.83 -0.9 1
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135507 51883089 1 OSN4C25H29 ABC4D25E29 69.3 3.19 0.0 0.0 0
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135508 51883090 1 OSN4C25H28 ABC4D25E28 46.63 4.19 -8.72 -0.44 1
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135509 51883091 1 OSN4C25H29 ABC4D25E29 77.57 12.72 0.0 0.0 0
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135510 51883232 1 SN2O4C19H28 AB2C4D19E28 -150.47 7.63 -9.54 -0.55 0
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135511 51883233 1 SN2O4C19H28 AB2C4D19E28 -150.7 4.53 -9.23 -0.28 0