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NoEstat 7 2.1.0 Szybki TK OpenEye Scientific Software 2019.06.18 128.3935 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 71.087 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 10 15 17703516601331356934 10533779 1 17969778580710444917 10835480 77 17346610664267540570 11061554 47 18272933843423567220 11211813 15 18130505250217957781 11456790 92 17022908969314886900 11621639 254 16128656362760969523 11621639 307 17629491787696965033 12047536 79 17969500390697185338 12173638 105 15502671416573114652 131241 285 17631722876861694328 13553643 46 18201431546414858352 15264996 74 18335971031582947911 15350500 55 18343301449097001990 15461852 350 14261352448866443864 16067689 68 14923952236741478385 19246450 95 17603305929926245151 20982279 24 11530761471420902608 21033648 144 18270409279085304143 21133410 221 18259981605134142669 21792938 703 9151166559648059846 21792965 68 18272367560317081076 2835820 25 17895193264319519252 393628 179 18338231558169590157 437795 83 17418095403956846865 44249763 50 18410018715396328991 54039377 194 11602822410974252874 54728670 133 15719661075549308591 58083652 198 16878507963638486390 59521506 201 17681258981366361149 6201320 215 18114177493565867581 6289498 60 18334304166848576492 999808 66 10953745516841330987 Shape Multipoles 8 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 765.73 38.34 4.57 2.47 107.08 1.24 -0.1 34.76 10.85 -15.61 -2.36 -3.74 1.71 5.66 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 1633.732 Shape Volume 7 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 419.8 Conformer RMSD 7 2012.05.21 1.2 Diverse Conformer ID List 6 2012.05.21 6 130 142 153 75 36 160 72 147 89 125 46 122 110 155 150 60 128 26 157 19 166 67 134 51 45 114 120 108 103 65 70 126 123 16 127 107 121 55 40 146 86 119 24 112 98 33 136 137 17 104 106 132 138 62 81 162 149 77 158 152 118 117 27 164 42 69 111 102 92 74 64 35 57 96 167 66 50 148 71 3 100 140 28 94 54 4 56 143 85 154 133 32 61 165 79 83 115 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35 37 38 39 rings 6 4 5 12 13 14 15 rings 6 6 7 18 19 20 21 rings 6 8 9 24 26 28 31 rings 40 0 0 0 0 0 0 0 1 2