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-0.3481 -0.758 -0.3312 -0.4697 -1.3208 -2.0286 -0.2642 0.9783 -0.8492 -0.79 -1.6634 1.7108 1.7988 1.3431 2.3144 -0.3072 -1.651 -0.0835 0.0151 2.6618 2.1363 0.0377 -0.4464 -1.5837 -0.0729 -0.4278 2.4309 -2.0282 -0.516 -2.8686 -2.418 -1.3412 -0.5263 1.8993 -1.047 0.0812 -1.7071 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2012.05.21 03965A4B00000001 Energy MMFF94 NoEstat 7 2.1.0 Szybki TK OpenEye Scientific Software 2019.06.18 81.9283 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 71.23 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 10290309 65 17259347670225470626 10411042 1 18409727327123830994 10675989 125 18122909995091275077 10940486 97 18199191689812556193 1100329 8 18264780873875928865 11135926 11 18122908896143324527 11488393 25 18265055923645355283 12788726 201 17827937122117939010 13009979 54 18059859446158296579 13140716 1 18337123271437675891 13540713 5 18129957762289201377 13757389 114 17909558250528882597 138480 1 18409455795291452376 14068700 675 18202271499302573159 14508225 48 18410848829026146415 14790565 3 16680072108421505072 15021287 119 18340218397408545107 15198563 99 18267300920214825278 15439362 3 18192142918313982319 15684970 41 18122661350945113626 15961568 22 18410292511282704842 16087824 20 17905046946595989293 167882 2 18193271017065089575 16992727 255 17681823017544373269 17686467 74 18341607110728295074 18365409 1 17629757874116667201 21033648 29 13696171616898012030 2132832 1 18272086098109104347 21344244 246 18338792446031761494 21796203 349 17759853265538314097 21927370 108 18337684005146320035 23366157 5 18262811777336297024 23559900 14 18336820996014017355 23576562 1 18336544916164837013 25147074 1 18130517396443630011 255183 313 17695359074976073969 3380486 145 18050300175722454131 4066623 53 18187914071997320077 4280585 95 18338506439680183759 46194498 28 18119503635903106399 6058803 2 18200610193267876625 6700243 42 17771088007375647398 Shape Multipoles 8 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 604.28 11.54 7.73 1.36 3.74 13.15 -0.01 -16.93 3.54 -8.38 2.86 1.22 -0.53 -2.69 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 1296.571 Shape Volume 7 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 340 Conformer RMSD 7 2012.05.21 1 Diverse Conformer ID List 6 2012.05.21 1 45 55 43 37 18 56 39 9 10 25 50 46 5 36 3 57 41 19 24 13 31 58 44 15 11 4 52 27 17 48 8 7 6 32 35 47 21 42 22 29 34 12 33 23 49 30 51 14 54 20 28 38 53 2 40 26 16 Charge MMFF94 Partial 2 2.3.0 OEChem OpenEye Scientific Software 2019.06.18 35 1 -0.08 10 0.21 11 0.21 12 0.3 13 -0.16 14 -0.33 15 0.48 17 0.45 18 -0.15 19 0.28 2 -0.68 20 0.57 21 -0.15 22 0.2 23 -0.15 24 0.06 25 -0.15 26 0.08 29 -0.11 3 -0.57 30 0.08 31 0.28 4 -0.36 41 0.27 44 0.15 45 0.15 48 0.15 49 0.4 5 -0.69 55 0.15 56 0.15 6 -0.66 7 0.03 8 -0.57 9 0.16 Count Effective Rotor 7 2.3.0 OEChem ncbi.nlm.nih.gov 2019.06.18 8.2 Features Pharmacophore 2 ImplicitMillsDean merged 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 14 1 2 acceptor 1 2 donor 1 28 hydrophobe 1 3 acceptor 1 4 acceptor 1 5 cation 1 7 cation 1 7 donor 1 8 acceptor 4 5 9 10 11 rings 5 1 8 22 29 30 rings 5 7 13 14 16 18 rings 6 16 18 21 23 25 26 rings 6 6 9 12 13 14 15 rings 31 1 1 0 0 0 0 0 1 1