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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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214648 85083338 1 N3O5C33H47 A3B5C33D47 -208.13 5.32 -9.23 0.22 0
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214649 85083339 1 ClFN3O4C31H33 ABC3D4E31F33 -143.33 0.79 -8.71 -0.88 0
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214650 85083340 1 ClSO4N5C28H28 ABC4D5E28F28 -50.33 6.39 -8.64 -1.38 0
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214651 85083342 1 N4O7C30H38 A4B7C30D38 -223.1 7.03 -8.8 -0.37 0
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214652 85083343 1 SN2O7C30H34 AB2C7D30E34 -230.11 4.12 -9.51 -0.74 0
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214653 85083352 1 OPN2F6C29H31 ABC2D6E29F31 -346.91 3.93 -8.71 -0.57 0
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214654 85083355 1 SN4O7C28H32 AB4C7D28E32 -181.11 4.58 -9.42 -1.16 1
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214655 85083357 1 NO4C27H40 AB4C27D40 -154.99 8.88 0.0 0.0 0
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214656 85083358 1 S2N7O7H19C23 A2B7C7D19E23 -33.13 7.68 -9.22 -1.87 0
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214657 85083359 1 F2N3O3C34H39 A2B3C3D34E39 -170.15 5.54 -8.78 -0.19 0
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214658 85083360 1 N5O5C31H47 A5B5C31D47 -196.59 8.3 -9.47 -0.18 0
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214659 85083361 1 N3O5C33H51 A3B5C33D51 -171.15 9.57 -8.75 -1.31 0
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214660 85083366 1 FN6O6C28H35 AB6C6D28E35 -265.7 2.66 -8.72 -0.43 0
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214661 85083367 1 O10C31H38 A10B31C38 -378.46 7.23 -9.67 -0.9 0
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214662 85083368 6 OC6H7 AB6C7 -173.57 3.35 -9.22 0.24 0
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214663 85083369 1 ClN4O6C29H35 AB4C6D29E35 -186.42 4.57 -8.82 -0.39 0
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214664 85083370 1 ClSN4O4C29H35 ABC4D4E29F35 -173.07 5.92 -9.0 -0.85 0
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214665 85083371 1 ClN2O4C33H47 AB2C4D33E47 -167.48 2.81 -9.3 -0.79 1
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214666 85083372 1 ClN2O4C33H48 AB2C4D33E48 -184.43 7.16 0.0 0.0 0
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214667 85083373 1 INO4C27H42 ABC4D27E42 -111.94 14.6 -7.31 -0.51 1
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214668 85083374 1 NO4C27H42 AB4C27D42 -165.61 6.26 0.0 0.0 0
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214669 85083375 1 FO3N5C32H50 AB3C5D32E50 -213.06 5.84 -8.87 0.02 0
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214670 85083376 1 BrSN3O10C20H20 ABC3D10E20F20 -352.94 7.08 -10.22 -0.99 0
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214671 85083377 1 BrN5O9C21H26 AB5C9D21E26 -340.02 5.12 -9.1 -1.27 0
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214672 85083378 1 SiBr2O2C26H40 AB2C2D26E40 -150.61 2.57 -8.83 -0.28 0
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214673 85083379 1 BrS2N5O5C21H26 AB2C5D5E21F26 -84.9 5.55 -9.14 -0.97 0
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214674 85083380 1 F3O3N6C30H31 A3B3C6D30E31 -177.87 2.71 -9.0 -0.87 0
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214675 85083381 1 PN2O6C32H33 AB2C6D32E33 -188.23 3.34 -8.66 0.02 0
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214676 85083382 1 N4O9C28H36 A4B9C28D36 -332.94 14.9 -9.05 -0.92 0
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214677 85083383 1 N4O9C28H36 A4B9C28D36 -343.42 13.28 -9.16 -1.03 0
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214678 85083384 1 O4N6H28C33 A4B6C28D33 -30.02 7.82 -8.36 -1.45 0
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214679 85083387 2 NO3C17H20 AB3C17D20 -213.03 5.56 -8.58 -0.68 0
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214680 85083388 1 ClN2O5C32H45 AB2C5D32E45 -254.76 3.41 -8.97 -0.21 0
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214681 85083391 1 PN3O7C29H40 AB3C7D29E40 -394.38 7.45 -8.18 0.12 0
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214682 85083393 1 N3O7C32H35 A3B7C32D35 -218.56 13.44 -9.18 -0.97 0
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214683 85083402 1 NO16C22H41 AB16C22D41 -719.85 5.4 -9.83 -0.32 1
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214684 85083403 1 NO16C22H42 AB16C22D42 -679.52 4.28 0.0 0.0 0
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214685 85083406 1 N7O7C27H41 A7B7C27D41 -298.02 3.77 -8.99 -0.34 1
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214686 85083414 1 N2C34H41 A2B34C41 50.88 1.97 0.0 0.0 0
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214687 85083415 1 NO10C30H43 AB10C30D43 -421.34 8.01 -8.62 -0.27 0
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214688 85083416 1 N5O8C28H43 A5B8C28D43 -389.41 3.71 -9.74 -0.42 0
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214689 85083417 1 BrClFN4O4H23C25 ABCD4E4F23G25 -150.59 0.94 -8.76 -1.17 0
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214690 85083418 1 BrClFN2O3S3H19C21 ABCD2E3F3G19H21 -76.97 4.51 -8.99 -1.75 0
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214692 85083420 1 N2O11H26C29 A2B11C26D29 -274.55 13.0 -8.94 -1.52 0
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214693 85083421 1 N4F6C31H40 A4B6C31D40 -284.95 5.78 -8.65 -1.02 0
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214694 85083422 1 O11C30H42 A11B30C42 -500.5 3.18 -9.75 -1.06 0
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214695 85083424 1 SiO8C31H50 AB8C31D50 -420.37 5.48 -9.02 0.46 0
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214696 85083426 1 ClSN4O4C30H31 ABC4D4E30F31 -59.16 9.5 -9.18 -1.1 0
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214697 85083427 1 SCl2N2O4C29H36 AB2C2D4E29F36 -159.18 4.4 -9.03 -0.48 0
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214698 85083428 1 SN7O9C22H41 AB7C9D22E41 -430.49 5.08 -9.52 -0.65 0
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214699 85083429 1 SSiN3O9C25H35 ABC3D9E25F35 -399.57 9.24 -8.8 -1.22 0
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214700 85083432 1 NSSiO6C30H49 ABCD6E30F49 -331.3 5.58 -8.48 -1.09 0
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214701 85083434 1 F2O3N4C33H42 A2B3C4D33E42 -194.98 4.64 -9.43 -0.54 0
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214702 85083435 1 O6C37H40 A6B37C40 -222.75 3.06 -9.06 -0.86 0
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214703 85083436 1 PN2O6C31H53 AB2C6D31E53 -392.89 3.05 -9.18 0.54 0
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214704 85083437 1 O3H40C41 A3B40C41 -9.4 4.89 -9.34 -0.11 0
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214705 85083438 1 O2N4C37H48 A2B4C37D48 85.33 2.92 -8.21 -0.11 0
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214706 85083441 1 S2N7O10C19H31 A2B7C10D19E31 -378.31 9.18 -9.47 -1.42 0
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214707 85083443 1 N3O6C33H47 A3B6C33D47 -285.21 1.88 -9.23 -0.06 0
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214708 85083446 1 NPO6C32H56 ABC6D32E56 -375.15 1.1 -8.52 0.32 0
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214709 85083448 1 Si2N5O7C25H43 A2B5C7D25E43 -397.39 4.66 -8.83 -1.31 0
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214710 85083449 1 ICl2O2N5H20C22 AB2C2D5E20F22 17.53 14.68 -8.73 -1.37 0
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214711 85083450 1 Br2O5C26H30 A2B5C26D30 -171.99 2.13 -9.02 -1.08 0
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214712 85083456 1 ClN2O7C30H47 AB2C7D30E47 -345.96 4.93 -8.87 -0.42 0
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214713 85083457 1 P3S3N5O10C12H20 A3B3C5D10E12F20 -576.23 7.52 -9.13 -0.93 0
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214714 85083459 1 SCl2N4O4C27H36 AB2C4D4E27F36 -151.45 8.62 -8.12 -0.9 0
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214715 85083460 1 SN4O4C27H34 AB4C4D27E34 -78.03 5.57 -8.02 -0.44 0
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214716 85083462 1 NO7C34H49 AB7C34D49 -281.9 8.86 -10.08 -1.21 0
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214717 85083470 1 FN6O10C23H45 AB6C10D23E45 -507.28 5.27 -9.22 0.43 1
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214718 85083476 1 FN5O5H31C32 AB5C5D31E32 -117.28 4.0 0.0 0.0 0
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214719 85083477 1 NO8C34H35 AB8C34D35 -271.64 4.19 -8.25 -0.36 0
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214720 85083478 1 N3O5H31C36 A3B5C31D36 -43.17 9.86 -9.33 -1.67 0
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214721 85083481 1 N7O7C27H51 A7B7C27D51 -374.39 8.11 -9.61 0.12 1
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214722 85083483 1 NPSO8C27H57 ABCD8E27F57 -430.47 6.58 0.0 0.0 0
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214723 85083484 1 ISSiO8C20H31 ABCD8E20F31 -362.1 6.59 -9.71 -1.12 0