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-1.4402 -0.5281 2.942 1.5366 2.7946 3.1775 1.8994 2.9884 1.5746 0.1159 0.2613 0.8469 -1.408 -0.7654 -1.9583 -3.1065 0.3474 -1.6364 -1.6216 -0.9512 2.3489 -0.1854 3.0991 1.8375 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 032E8FE500000001 Energy MMFF94 NoEstat 7 2.1.0 Szybki TK OpenEye Scientific Software 2019.06.18 110.4856 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 45.701 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 10165383 225 18202288013403574416 10493431 412 18130507521628235002 10675989 125 16250254995397631581 1100329 8 17907292509457174055 11115154 58 16696641143072206255 11297750 10 17760101613923139951 11513181 2 17418382402235945679 11578080 2 17764896609405822116 12202916 173 18260259760163638419 12403814 3 18335125519023795144 12422481 6 18335141955599828098 12633257 1 18200868595411052720 12788726 201 17901629900442127738 12930653 34 18198627635752041561 13140716 1 18193269921916624192 13583140 156 17532631470251018514 14028597 1 16609993179355437667 140371 6 18262539013202550905 14790565 3 18271817859726033232 14840074 17 18335145340261137852 14856354 85 16950850207404174338 14955137 171 18118706510439703277 15324884 4 18120396284493986927 15420108 30 18122923180646018597 15775530 1 17904485108231079861 17980427 23 18264497342026946019 18365409 1 17845088653424666639 18393751 57 18340762736524627482 1979834 28 18267606670604999291 20642791 13 18261674749802732473 20739085 24 18265920011067338167 21033648 29 18060154149233079635 21033650 10 11027457738809705058 21703447 108 18047750395753080627 21756936 100 16988832900393027066 22182313 1 18196085543715202654 229495 10 17986382287913621215 23559900 14 17904493908555649127 25019877 29 17775290516161378518 255183 313 18271517697636521026 3380486 145 18335692841638935671 350125 39 18270407075202793182 376196 1 17252261386483073044 4340502 62 17846223267086552611 469060 322 18268126786580435255 5171179 24 17836651825293856391 59755656 520 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-0.48 44 0.15 45 0.15 46 0.15 47 0.15 48 0.15 49 0.15 5 -0.73 50 0.15 51 0.15 52 0.15 53 0.15 54 0.15 55 0.15 56 0.15 6 -0.63 7 0.5 8 0.3 9 0.57 Count Effective Rotor 7 2.3.0 OEChem ncbi.nlm.nih.gov 2019.06.18 6 Features Pharmacophore 2 ImplicitMillsDean merged 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 9 1 2 acceptor 1 3 acceptor 1 5 donor 1 6 acceptor 4 8 12 13 14 hydrophobe 6 10 18 19 24 25 27 rings 6 11 16 20 21 23 26 rings 6 22 28 29 30 31 32 rings 6 4 6 11 15 16 17 rings 32 1 0 1 0 0 0 0 1 2