25455399 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 8 8 8 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 4 4 4 5 5 5 6 6 6 6 7 7 7 8 8 8 9 9 9 10 10 11 11 13 13 13 15 15 16 16 16 17 17 18 18 19 19 20 20 21 21 22 22 22 23 24 24 25 25 26 26 27 27 28 28 28 29 30 30 30 12 16 12 14 10 11 14 14 19 43 7 8 9 12 10 31 32 11 33 34 13 35 36 37 38 39 40 15 41 42 17 18 22 44 45 20 46 21 47 24 25 23 48 23 49 50 51 52 53 26 28 27 54 29 55 29 56 57 58 59 30 60 61 62 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 1 2 1 2 1 1 1 1 1 1 1 1 1 2 1 2 1 1 1 1 1 1 1 1 1 1 2 5 10 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 -3.2126 -2.0888 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-0.5058 0.2538 0.3862 0.094 0.0329 0.1485 -0.2868 -0.3479 -0.6489 -0.5077 1.1827 -1.172 0.8964 -1.4582 2.6061 -0.424 -0.7315 1.7619 0.3181 -1.9926 -1.9889 -1.214 -1.1423 1.6885 1.7295 -0.4616 -1.9129 1.3184 1.2886 1.3942 0.722 1.2437 0.2608 0.152 -0.4119 -0.5206 -1.0076 -1.5211 -0.2335 -0.8045 -2.023 1.6986 -2.4916 2.7472 2.9072 3.2894 -0.8663 0.0767 -1.6441 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 01846B2700000001 Energy MMFF94 NoEstat 7 1.7.2 Szybki openeye.com 2012.11.26 83.1066 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 30.447 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 10 15 18259991465750371649 10050765 1 18410856525370793998 11578080 2 18341335508862915742 12107183 9 18116984486943700730 12403259 118 18335700598212728286 12440610 7 18411990130770550927 12539765 74 17843686561339909173 12857493 111 18269269240014306041 12895837 130 18334863852193887956 13540713 4 18269574778970635791 13560911 23 17969216914524151680 13911987 19 16917069945301083247 14068700 686 18341618156561468414 14294032 229 18342742969767036791 14904525 67 18265900332029264148 14931854 50 17417816102313196472 15183329 4 16702302317277595232 15198563 99 17985812960356292287 15338160 23 18335140929456033159 15347591 1 18411139130556652894 1577012 14 18187363260238687192 16114785 44 18261121772853141483 16126227 98 18410859824670055217 17980427 23 17749393710376619334 18393751 57 18116155468335318489 19427546 20 18411138078194239135 1979834 28 14346082962750637672 20691028 202 18266458711483120605 21033648 144 18201729422704892545 21033648 29 18188503354585409057 21360443 126 18410569578995313293 21424621 283 18261393295983762521 21521721 280 18198630930877823913 22122407 14 17895769512024601124 23191077 185 18189325780756120803 23559900 14 17985830333140833486 23569914 152 16767902303721911508 249057 25 17677052481478376734 2747138 104 18123472949350310938 2748736 6 18335977563026145341 2838139 119 18199737081433204397 3918712 181 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